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 1twf_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 0.000 176.096 176.094 0.003 0.000 1.182 2 V CA 0.000 62.300 62.300 0.001 0.000 1.235 2 V CB 0.000 31.821 31.823 -0.003 0.000 1.184 3 G N 5.873 114.675 108.800 0.004 0.000 2.636 3 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.261 3 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.261 3 G C 0.204 175.116 174.900 0.020 0.000 1.018 3 G CA 0.491 45.595 45.100 0.007 0.000 1.308 3 G HN 1.157 nan 8.290 nan 0.000 0.514 4 Q N -0.395 119.420 119.800 0.024 0.000 2.515 4 Q HA -0.122 4.217 4.340 -0.001 0.000 0.215 4 Q C 1.623 177.659 176.000 0.059 0.000 0.983 4 Q CA 1.296 57.122 55.803 0.038 0.000 0.905 4 Q CB 0.157 28.913 28.738 0.030 0.000 0.961 4 Q HN 0.856 nan 8.270 nan 0.000 0.503 5 Q N -0.269 119.564 119.800 0.054 0.000 2.417 5 Q HA 0.023 4.363 4.340 -0.001 0.000 0.241 5 Q C -1.051 175.021 176.000 0.120 0.000 1.008 5 Q CA -0.211 55.638 55.803 0.076 0.000 0.901 5 Q CB 0.480 29.247 28.738 0.047 0.000 1.259 5 Q HN 0.132 nan 8.270 nan 0.000 0.489 6 Y N 0.786 121.090 120.300 0.006 0.000 2.376 6 Y HA 0.481 5.030 4.550 -0.001 0.000 0.325 6 Y C -0.933 174.972 175.900 0.008 0.000 1.199 6 Y CA -0.460 57.644 58.100 0.007 0.000 1.206 6 Y CB 1.763 40.227 38.460 0.007 0.000 1.229 6 Y HN 0.540 nan 8.280 nan 0.000 0.480 7 S N 2.243 117.387 115.700 -0.926 0.000 2.677 7 S HA 0.267 4.737 4.470 -0.001 0.000 0.283 7 S C 0.260 174.324 174.600 -0.894 0.000 1.159 7 S CA -0.116 57.691 58.200 -0.655 0.000 1.001 7 S CB 0.593 63.604 63.200 -0.315 0.000 1.032 7 S HN 0.857 nan 8.310 nan 0.000 0.487 8 S N 3.732 119.115 115.700 -0.527 0.000 2.474 8 S HA 0.161 4.631 4.470 -0.001 0.000 0.235 8 S C 0.989 175.498 174.600 -0.153 0.000 0.997 8 S CA 0.399 58.444 58.200 -0.259 0.000 0.949 8 S CB -0.453 62.725 63.200 -0.037 0.000 0.766 8 S HN 1.168 nan 8.310 nan 0.000 0.517 9 A N 4.228 126.953 122.820 -0.158 0.000 2.524 9 A HA 0.416 4.736 4.320 -0.001 0.000 0.250 9 A C -1.606 175.930 177.584 -0.079 0.000 1.078 9 A CA -1.186 50.796 52.037 -0.092 0.000 0.761 9 A CB -0.484 18.468 19.000 -0.081 0.000 1.012 9 A HN 0.480 nan 8.150 nan 0.000 0.500 10 P HA 0.091 nan 4.420 nan 0.000 0.263 10 P C -0.475 176.809 177.300 -0.027 0.000 1.195 10 P CA -0.192 62.893 63.100 -0.025 0.000 0.762 10 P CB 0.453 32.147 31.700 -0.010 0.000 0.799 11 L N 5.238 126.448 121.223 -0.022 0.000 2.367 11 L HA 0.286 4.625 4.340 -0.001 0.000 0.275 11 L C 0.333 177.196 176.870 -0.012 0.000 1.129 11 L CA 0.581 55.410 54.840 -0.019 0.000 0.839 11 L CB -0.106 41.947 42.059 -0.010 0.000 1.133 11 L HN 0.417 nan 8.230 nan 0.000 0.453 12 R N 1.803 122.294 120.500 -0.015 0.000 2.795 12 R HA 0.617 4.956 4.340 -0.001 0.000 0.268 12 R C -1.044 175.246 176.300 -0.017 0.000 1.041 12 R CA -0.511 55.580 56.100 -0.013 0.000 0.927 12 R CB 1.896 32.187 30.300 -0.014 0.000 1.235 12 R HN 0.697 nan 8.270 nan 0.000 0.463 13 T N -1.881 112.662 114.554 -0.017 0.000 2.895 13 T HA 0.422 4.772 4.350 -0.001 0.000 0.283 13 T C 0.063 174.747 174.700 -0.026 0.000 1.014 13 T CA -0.739 61.348 62.100 -0.021 0.000 1.037 13 T CB 1.559 70.415 68.868 -0.021 0.000 1.006 13 T HN 0.144 nan 8.240 nan 0.000 0.468 14 V N 4.367 124.262 119.914 -0.032 0.000 2.479 14 V HA 0.139 4.259 4.120 -0.001 0.000 0.281 14 V C 1.154 177.226 176.094 -0.036 0.000 1.031 14 V CA -0.101 62.175 62.300 -0.041 0.000 1.038 14 V CB 0.349 32.141 31.823 -0.052 0.000 0.981 14 V HN 0.864 nan 8.190 nan 0.000 0.478 15 K N 3.121 123.500 120.400 -0.035 0.000 2.214 15 K HA 0.279 4.598 4.320 -0.001 0.000 0.201 15 K C 0.540 177.122 176.600 -0.031 0.000 1.049 15 K CA 0.653 56.925 56.287 -0.025 0.000 0.978 15 K CB 0.578 33.069 32.500 -0.016 0.000 0.842 15 K HN 0.671 nan 8.250 nan 0.000 0.474 16 E N 0.387 120.558 120.200 -0.049 0.000 2.336 16 E HA 0.411 4.761 4.350 -0.001 0.000 0.267 16 E C -1.266 175.264 176.600 -0.118 0.000 0.906 16 E CA -0.749 55.612 56.400 -0.064 0.000 0.781 16 E CB 3.038 32.703 29.700 -0.058 0.000 1.261 16 E HN -0.294 nan 8.360 nan 0.000 0.436 17 V N 2.354 122.178 119.914 -0.150 0.000 2.482 17 V HA 0.154 4.274 4.120 -0.001 0.000 0.295 17 V C -0.845 175.028 176.094 -0.368 0.000 1.026 17 V CA -0.681 61.441 62.300 -0.298 0.000 0.856 17 V CB 1.635 33.255 31.823 -0.338 0.000 1.001 17 V HN 0.534 nan 8.190 nan 0.000 0.424 18 Q N 4.568 124.100 119.800 -0.446 0.000 2.368 18 Q HA 0.554 4.894 4.340 -0.001 0.000 0.256 18 Q C -1.209 174.463 176.000 -0.546 0.000 0.980 18 Q CA -0.002 55.515 55.803 -0.478 0.000 0.887 18 Q CB 0.843 29.208 28.738 -0.620 0.000 1.221 18 Q HN 0.515 nan 8.270 nan 0.000 0.458 19 F N 1.909 121.692 119.950 -0.277 0.000 2.370 19 F HA 0.848 5.375 4.527 -0.001 0.000 0.319 19 F C 1.311 176.996 175.800 -0.192 0.000 1.129 19 F CA 0.806 58.689 58.000 -0.194 0.000 1.109 19 F CB 1.738 40.673 39.000 -0.107 0.000 1.262 19 F HN 0.673 nan 8.300 nan 0.000 0.534 20 G N 0.271 109.142 108.800 0.118 0.000 2.340 20 G HA2 0.466 4.426 3.960 -0.001 0.000 0.299 20 G HA3 0.466 4.426 3.960 -0.001 0.000 0.299 20 G C -2.185 172.786 174.900 0.118 0.000 1.291 20 G CA -1.061 44.119 45.100 0.133 0.000 0.841 20 G HN 0.529 nan 8.290 nan 0.000 0.500 21 L N 0.027 121.354 121.223 0.173 0.000 2.334 21 L HA 0.552 4.892 4.340 -0.001 0.000 0.273 21 L C -0.567 176.278 176.870 -0.042 0.000 1.013 21 L CA -0.741 54.185 54.840 0.144 0.000 0.816 21 L CB 2.238 44.472 42.059 0.293 0.000 1.278 21 L HN 0.474 nan 8.230 nan 0.000 0.431 22 F N 1.762 121.651 119.950 -0.101 0.000 2.438 22 F HA 0.107 4.634 4.527 -0.001 0.000 0.360 22 F C 1.087 176.594 175.800 -0.487 0.000 1.118 22 F CA -0.503 57.348 58.000 -0.248 0.000 1.164 22 F CB 1.089 40.014 39.000 -0.124 0.000 1.131 22 F HN 0.580 nan 8.300 nan 0.000 0.527 23 S N 6.373 121.702 115.700 -0.619 0.000 2.592 23 S HA 0.217 4.687 4.470 -0.001 0.000 0.271 23 S C -1.471 172.894 174.600 -0.392 0.000 1.326 23 S CA -1.253 56.312 58.200 -1.059 0.000 1.024 23 S CB 1.379 63.795 63.200 -1.307 0.000 0.921 23 S HN 0.464 nan 8.310 nan 0.000 0.527 24 P HA -0.132 nan 4.420 nan 0.000 0.215 24 P C 0.855 178.089 177.300 -0.110 0.000 1.153 24 P CA 1.376 64.412 63.100 -0.105 0.000 0.853 24 P CB 0.009 31.703 31.700 -0.010 0.000 0.788 25 E N 0.287 120.429 120.200 -0.097 0.000 2.110 25 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 25 E C 2.208 178.742 176.600 -0.111 0.000 0.988 25 E CA 1.258 57.612 56.400 -0.077 0.000 0.804 25 E CB -0.775 28.905 29.700 -0.034 0.000 0.745 25 E HN 0.490 nan 8.360 nan 0.000 0.458 26 E N 0.347 120.468 120.200 -0.131 0.000 2.072 26 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 26 E C 1.834 178.343 176.600 -0.151 0.000 0.982 26 E CA 1.074 57.422 56.400 -0.087 0.000 0.803 26 E CB 0.131 29.827 29.700 -0.007 0.000 0.755 26 E HN 0.083 nan 8.360 nan 0.000 0.453 27 V N 1.565 121.312 119.914 -0.278 0.000 2.688 27 V HA -0.238 3.882 4.120 -0.001 0.000 0.256 27 V C 2.323 178.212 176.094 -0.343 0.000 1.084 27 V CA 1.851 63.878 62.300 -0.456 0.000 1.103 27 V CB -0.628 30.924 31.823 -0.452 0.000 0.688 27 V HN 0.267 nan 8.190 nan 0.000 0.480 28 R N 0.223 120.535 120.500 -0.313 0.000 2.090 28 R HA 0.152 4.491 4.340 -0.001 0.000 0.219 28 R C 2.375 178.502 176.300 -0.288 0.000 1.100 28 R CA 1.140 56.975 56.100 -0.441 0.000 0.991 28 R CB -0.508 29.600 30.300 -0.319 0.000 0.893 28 R HN 0.474 nan 8.270 nan 0.000 0.443 29 A N 1.635 124.349 122.820 -0.178 0.000 2.178 29 A HA -0.092 4.228 4.320 -0.001 0.000 0.218 29 A C 1.800 179.329 177.584 -0.091 0.000 1.157 29 A CA 1.095 53.065 52.037 -0.113 0.000 0.689 29 A CB -0.438 18.519 19.000 -0.072 0.000 0.787 29 A HN 0.448 nan 8.150 nan 0.000 0.465 30 I N -3.500 117.006 120.570 -0.107 0.000 4.240 30 I HA 0.243 4.412 4.170 -0.001 0.000 0.331 30 I C 0.736 176.823 176.117 -0.050 0.000 1.381 30 I CA 0.217 61.483 61.300 -0.057 0.000 1.136 30 I CB 0.075 38.067 38.000 -0.012 0.000 1.137 30 I HN 0.087 nan 8.210 nan 0.000 0.411 31 S N 1.093 116.727 115.700 -0.110 0.000 2.640 31 S HA 0.556 5.026 4.470 -0.001 0.000 0.262 31 S C 1.044 175.626 174.600 -0.031 0.000 1.232 31 S CA 0.217 58.383 58.200 -0.058 0.000 0.988 31 S CB 1.504 64.616 63.200 -0.146 0.000 1.034 31 S HN 0.444 nan 8.310 nan 0.000 0.569 32 V N -4.025 115.895 119.914 0.011 0.000 3.177 32 V HA 0.622 4.742 4.120 -0.001 0.000 0.220 32 V C 0.927 177.029 176.094 0.013 0.000 1.395 32 V CA 0.343 62.640 62.300 -0.005 0.000 1.317 32 V CB -0.839 30.980 31.823 -0.006 0.000 1.148 32 V HN 1.059 nan 8.190 nan 0.000 0.499 33 A N 0.608 123.456 122.820 0.045 0.000 3.322 33 A HA 0.811 5.131 4.320 -0.001 0.000 0.201 33 A C 1.015 178.652 177.584 0.089 0.000 1.668 33 A CA 0.505 52.565 52.037 0.038 0.000 0.861 33 A CB 1.090 20.100 19.000 0.017 0.000 1.769 33 A HN 0.398 nan 8.150 nan 0.000 0.578 34 K N -2.449 117.957 120.400 0.011 0.000 2.601 34 K HA 0.296 4.616 4.320 -0.001 0.000 0.214 34 K C -1.033 175.463 176.600 -0.174 0.000 1.628 34 K CA 0.013 56.256 56.287 -0.074 0.000 1.036 34 K CB 0.118 32.572 32.500 -0.077 0.000 1.352 34 K HN 0.496 nan 8.250 nan 0.000 0.607 35 I N 2.722 123.219 120.570 -0.122 0.000 6.364 35 I HA -0.332 3.838 4.170 -0.001 0.000 0.126 35 I C 0.483 176.502 176.117 -0.164 0.000 1.442 35 I CA 0.898 62.125 61.300 -0.121 0.000 2.500 35 I CB -0.491 37.457 38.000 -0.087 0.000 2.730 35 I HN 0.324 nan 8.210 nan 0.000 0.290 36 R N 3.764 124.130 120.500 -0.224 0.000 2.140 36 R HA 0.331 4.671 4.340 -0.001 0.000 0.200 36 R C 0.279 176.538 176.300 -0.069 0.000 1.069 36 R CA 0.125 56.076 56.100 -0.249 0.000 1.088 36 R CB 0.203 30.212 30.300 -0.485 0.000 1.012 36 R HN 0.346 nan 8.270 nan 0.000 0.500 37 F N 4.643 124.562 119.950 -0.052 0.000 2.434 37 F HA 0.216 4.743 4.527 -0.000 0.000 0.358 37 F C -1.484 174.289 175.800 -0.045 0.000 1.136 37 F CA -2.482 55.490 58.000 -0.045 0.000 1.157 37 F CB 1.072 40.051 39.000 -0.035 0.000 1.167 37 F HN -0.129 nan 8.300 nan 0.000 0.539 38 P HA 0.087 nan 4.420 nan 0.000 0.246 38 P C -0.902 176.420 177.300 0.036 0.000 1.686 38 P CA 0.470 63.599 63.100 0.050 0.000 0.867 38 P CB -0.023 31.681 31.700 0.008 0.000 1.733 39 E N -0.919 119.317 120.200 0.060 0.000 2.433 39 E HA 0.661 5.011 4.350 -0.001 0.000 0.264 39 E C -0.651 175.977 176.600 0.047 0.000 0.960 39 E CA -0.765 55.649 56.400 0.024 0.000 0.866 39 E CB 1.432 31.118 29.700 -0.023 0.000 1.615 39 E HN -0.174 nan 8.360 nan 0.000 0.442 40 T N 0.079 114.650 114.554 0.028 0.000 2.889 40 T HA 0.471 4.821 4.350 -0.001 0.000 0.315 40 T C -0.546 174.166 174.700 0.021 0.000 1.291 40 T CA -0.805 61.318 62.100 0.038 0.000 1.028 40 T CB 1.044 69.942 68.868 0.050 0.000 1.235 40 T HN 0.681 nan 8.240 nan 0.000 0.491 41 M N 0.691 120.306 119.600 0.025 0.000 7.319 41 M HA -0.197 4.283 4.480 -0.001 0.000 0.244 41 M C -0.504 175.795 176.300 -0.002 0.000 0.480 41 M CA 0.898 56.207 55.300 0.014 0.000 1.311 41 M CB -0.830 31.780 32.600 0.015 0.000 0.421 41 M HN 0.909 nan 8.290 nan 0.000 0.222 42 D N 0.556 120.952 120.400 -0.007 0.000 2.723 42 D HA -0.127 4.513 4.640 -0.001 0.000 0.236 42 D C -0.749 175.536 176.300 -0.026 0.000 1.138 42 D CA 1.528 55.516 54.000 -0.019 0.000 0.676 42 D CB -1.048 39.733 40.800 -0.032 0.000 1.069 42 D HN 0.553 nan 8.370 nan 0.000 0.430 43 E N 0.131 120.324 120.200 -0.012 0.000 1.774 43 E HA 0.156 4.506 4.350 -0.001 0.000 0.265 43 E C 0.197 176.788 176.600 -0.014 0.000 1.207 43 E CA 0.174 56.568 56.400 -0.009 0.000 1.054 43 E CB -0.213 29.492 29.700 0.008 0.000 1.074 43 E HN 0.149 nan 8.360 nan 0.000 0.433 44 T N 2.385 116.922 114.554 -0.028 0.000 4.125 44 T HA -0.226 4.124 4.350 -0.001 0.000 0.357 44 T C 0.464 175.152 174.700 -0.021 0.000 0.756 44 T CA 0.816 62.900 62.100 -0.026 0.000 1.980 44 T CB -1.584 67.274 68.868 -0.017 0.000 1.834 44 T HN 0.804 nan 8.240 nan 0.000 0.876 45 Q N -2.636 117.149 119.800 -0.025 0.000 2.324 45 Q HA -0.165 4.175 4.340 -0.001 0.000 0.200 45 Q C -0.018 175.974 176.000 -0.012 0.000 0.645 45 Q CA 1.752 57.543 55.803 -0.020 0.000 1.377 45 Q CB -1.830 26.897 28.738 -0.017 0.000 1.486 45 Q HN 0.742 nan 8.270 nan 0.000 0.796 46 T N 1.525 116.073 114.554 -0.009 0.000 2.723 46 T HA 0.281 4.630 4.350 -0.001 0.000 0.297 46 T C 0.203 174.903 174.700 0.000 0.000 0.925 46 T CA -0.402 61.696 62.100 -0.003 0.000 1.030 46 T CB 0.517 69.385 68.868 -0.000 0.000 0.905 46 T HN 0.124 nan 8.240 nan 0.000 0.502 47 R N 2.684 123.186 120.500 0.003 0.000 3.206 47 R HA 0.321 4.660 4.340 -0.001 0.000 0.209 47 R C 0.830 177.137 176.300 0.011 0.000 1.632 47 R CA -0.342 55.763 56.100 0.007 0.000 1.234 47 R CB -0.210 30.096 30.300 0.009 0.000 1.270 47 R HN 0.726 nan 8.270 nan 0.000 0.665 48 A N 2.133 124.961 122.820 0.012 0.000 2.538 48 A HA 0.404 4.723 4.320 -0.001 0.000 0.214 48 A C -0.233 177.364 177.584 0.020 0.000 2.355 48 A CA 0.116 52.162 52.037 0.016 0.000 1.493 48 A CB 0.770 19.779 19.000 0.015 0.000 1.143 48 A HN 0.376 nan 8.150 nan 0.000 0.452 49 K N 0.269 120.684 120.400 0.024 0.000 2.535 49 K HA 0.344 4.664 4.320 -0.001 0.000 0.310 49 K C -1.654 174.971 176.600 0.041 0.000 1.178 49 K CA -0.081 56.224 56.287 0.031 0.000 1.052 49 K CB 1.058 33.575 32.500 0.027 0.000 1.364 49 K HN 0.512 nan 8.250 nan 0.000 0.475 50 I N 1.196 121.799 120.570 0.055 0.000 2.754 50 I HA -0.006 4.164 4.170 -0.001 0.000 0.285 50 I C 1.686 177.857 176.117 0.091 0.000 1.166 50 I CA 0.439 61.793 61.300 0.090 0.000 1.417 50 I CB 0.796 38.873 38.000 0.129 0.000 1.382 50 I HN 0.847 nan 8.210 nan 0.000 0.588 51 G N 3.789 112.647 108.800 0.096 0.000 3.094 51 G HA2 0.063 4.023 3.960 -0.001 0.000 0.208 51 G HA3 0.063 4.023 3.960 -0.001 0.000 0.208 51 G C 1.075 175.984 174.900 0.014 0.000 1.189 51 G CA 0.454 45.580 45.100 0.044 0.000 0.856 51 G HN 0.936 nan 8.290 nan 0.000 0.510 52 G N -0.319 108.526 108.800 0.075 0.000 2.599 52 G HA2 0.380 4.339 3.960 -0.001 0.000 0.210 52 G HA3 0.380 4.339 3.960 -0.001 0.000 0.210 52 G C 0.376 175.288 174.900 0.021 0.000 1.177 52 G CA -0.005 45.115 45.100 0.034 0.000 0.835 52 G HN 0.365 nan 8.290 nan 0.000 0.575 53 L N -1.411 119.842 121.223 0.051 0.000 2.303 53 L HA 0.389 4.729 4.340 -0.001 0.000 0.256 53 L C 0.263 177.150 176.870 0.028 0.000 1.034 53 L CA -0.663 54.194 54.840 0.029 0.000 0.832 53 L CB 2.131 44.212 42.059 0.037 0.000 1.403 53 L HN 0.311 nan 8.230 nan 0.000 0.419 54 N N 0.252 118.961 118.700 0.015 0.000 2.932 54 N HA -0.269 4.471 4.740 -0.001 0.000 0.227 54 N C -0.126 175.390 175.510 0.010 0.000 0.854 54 N CA 2.040 55.097 53.050 0.012 0.000 1.064 54 N CB -0.680 37.823 38.487 0.026 0.000 1.029 54 N HN 0.792 nan 8.380 nan 0.000 0.619 55 D N -3.342 117.067 120.400 0.015 0.000 2.520 55 D HA 0.100 4.740 4.640 -0.001 0.000 0.386 55 D C -1.768 174.544 176.300 0.020 0.000 1.267 55 D CA 0.086 54.097 54.000 0.018 0.000 0.958 55 D CB 0.215 41.027 40.800 0.020 0.000 1.462 55 D HN 0.061 nan 8.370 nan 0.000 0.438 56 P HA -0.203 nan 4.420 nan 0.000 0.222 56 P C 0.704 178.011 177.300 0.011 0.000 1.155 56 P CA 1.619 64.724 63.100 0.008 0.000 0.890 56 P CB 0.258 31.954 31.700 -0.006 0.000 0.790 57 R N -3.710 116.803 120.500 0.021 0.000 2.517 57 R HA 0.227 4.567 4.340 -0.001 0.000 0.228 57 R C 1.013 177.355 176.300 0.070 0.000 0.950 57 R CA -0.207 55.910 56.100 0.028 0.000 1.314 57 R CB 0.010 30.314 30.300 0.007 0.000 1.739 57 R HN 0.111 nan 8.270 nan 0.000 0.481 58 L N 0.915 122.179 121.223 0.069 0.000 2.444 58 L HA 0.200 4.540 4.340 -0.001 0.000 0.251 58 L C 1.299 178.217 176.870 0.080 0.000 1.247 58 L CA 0.194 55.090 54.840 0.092 0.000 0.825 58 L CB -0.157 41.913 42.059 0.019 0.000 1.129 58 L HN 0.061 nan 8.230 nan 0.000 0.527 59 G N -0.045 108.767 108.800 0.019 0.000 2.474 59 G HA2 0.263 4.222 3.960 -0.001 0.000 0.233 59 G HA3 0.263 4.222 3.960 -0.001 0.000 0.233 59 G C 0.063 174.959 174.900 -0.007 0.000 1.278 59 G CA 0.062 45.149 45.100 -0.022 0.000 0.861 59 G HN 0.740 nan 8.290 nan 0.000 0.567 60 S N 0.787 116.486 115.700 -0.002 0.000 2.798 60 S HA 0.822 5.291 4.470 -0.001 0.000 0.312 60 S C 0.173 174.768 174.600 -0.009 0.000 1.122 60 S CA -0.902 57.298 58.200 0.000 0.000 0.949 60 S CB 1.637 64.844 63.200 0.012 0.000 1.235 60 S HN 0.548 nan 8.310 nan 0.000 0.552 61 I N -1.309 119.258 120.570 -0.005 0.000 4.092 61 I HA 0.444 4.614 4.170 -0.001 0.000 0.245 61 I C -0.647 175.468 176.117 -0.004 0.000 1.044 61 I CA -1.027 60.267 61.300 -0.009 0.000 1.433 61 I CB 0.436 38.430 38.000 -0.010 0.000 1.312 61 I HN 0.609 nan 8.210 nan 0.000 0.417 62 D N 1.523 121.920 120.400 -0.005 0.000 2.911 62 D HA -0.183 4.457 4.640 -0.001 0.000 0.227 62 D C 0.011 176.310 176.300 -0.002 0.000 1.164 62 D CA 0.885 54.884 54.000 -0.001 0.000 0.782 62 D CB -0.721 40.082 40.800 0.004 0.000 1.094 62 D HN 0.623 nan 8.370 nan 0.000 0.425 63 R N -1.751 118.745 120.500 -0.006 0.000 3.758 63 R HA -0.201 4.139 4.340 -0.001 0.000 0.299 63 R C -0.428 175.872 176.300 -0.001 0.000 1.182 63 R CA 0.733 56.830 56.100 -0.006 0.000 0.809 63 R CB -1.703 28.593 30.300 -0.006 0.000 1.249 63 R HN 0.267 nan 8.270 nan 0.000 0.497 64 N N 1.223 119.924 118.700 0.001 0.000 2.439 64 N HA 0.139 4.878 4.740 -0.001 0.000 0.249 64 N C 1.226 176.741 175.510 0.008 0.000 1.003 64 N CA -0.229 52.824 53.050 0.005 0.000 0.942 64 N CB 0.976 39.467 38.487 0.008 0.000 1.115 64 N HN 0.125 nan 8.380 nan 0.000 0.505 65 L N 0.921 122.149 121.223 0.009 0.000 2.450 65 L HA -0.054 4.286 4.340 -0.001 0.000 0.224 65 L C 1.045 177.927 176.870 0.020 0.000 1.149 65 L CA 0.958 55.806 54.840 0.013 0.000 0.816 65 L CB -0.227 41.840 42.059 0.012 0.000 0.932 65 L HN 0.244 nan 8.230 nan 0.000 0.449 66 K N 0.332 120.744 120.400 0.019 0.000 2.416 66 K HA 0.101 4.420 4.320 -0.001 0.000 0.283 66 K C -0.445 176.175 176.600 0.035 0.000 1.037 66 K CA 0.106 56.407 56.287 0.024 0.000 0.995 66 K CB 0.843 33.354 32.500 0.018 0.000 0.938 66 K HN 0.126 nan 8.250 nan 0.000 0.475 67 C N 4.621 123.951 119.300 0.049 0.000 2.542 67 C HA 0.074 4.534 4.460 -0.001 0.000 0.304 67 C C -0.628 174.418 174.990 0.093 0.000 0.794 67 C CA -0.266 58.803 59.018 0.085 0.000 0.890 67 C CB -1.172 26.629 27.740 0.103 0.000 1.554 67 C HN 1.087 nan 8.230 nan 0.000 0.707 68 Q N 1.985 121.805 119.800 0.034 0.000 2.470 68 Q HA -0.157 4.183 4.340 -0.001 0.000 0.294 68 Q C 0.480 176.467 176.000 -0.021 0.000 1.356 68 Q CA 1.077 56.867 55.803 -0.023 0.000 0.805 68 Q CB -1.482 27.185 28.738 -0.118 0.000 1.157 68 Q HN 1.049 nan 8.270 nan 0.000 0.431 69 T N -2.407 112.150 114.554 0.004 0.000 3.506 69 T HA -0.244 4.105 4.350 -0.001 0.000 0.407 69 T C 0.676 175.386 174.700 0.016 0.000 0.766 69 T CA 1.081 63.185 62.100 0.006 0.000 2.070 69 T CB -1.881 66.984 68.868 -0.006 0.000 1.712 69 T HN 0.896 nan 8.240 nan 0.000 0.692 70 C N -1.721 117.604 119.300 0.042 0.000 4.100 70 C HA 0.503 4.962 4.460 -0.001 0.000 0.393 70 C C 1.157 176.178 174.990 0.052 0.000 1.619 70 C CA 0.148 59.202 59.018 0.060 0.000 1.976 70 C CB 0.106 27.924 27.740 0.129 0.000 2.992 70 C HN 0.708 nan 8.230 nan 0.000 0.694 71 Q N 1.403 121.229 119.800 0.044 0.000 1.555 71 Q HA -0.171 4.168 4.340 -0.001 0.000 0.344 71 Q C 0.036 176.053 176.000 0.028 0.000 0.887 71 Q CA 2.317 58.139 55.803 0.031 0.000 0.829 71 Q CB -1.400 27.353 28.738 0.025 0.000 3.625 71 Q HN 0.892 nan 8.270 nan 0.000 0.622 72 E N -1.570 118.642 120.200 0.020 0.000 8.951 72 E HA -0.032 4.317 4.350 -0.001 0.000 0.467 72 E C 0.130 176.732 176.600 0.004 0.000 1.277 72 E CA 0.528 56.934 56.400 0.011 0.000 2.218 72 E CB -0.756 28.950 29.700 0.009 0.000 1.018 72 E HN 0.742 nan 8.360 nan 0.000 0.336 73 G N 0.095 108.894 108.800 -0.003 0.000 2.522 73 G HA2 0.433 4.392 3.960 -0.001 0.000 0.304 73 G HA3 0.433 4.392 3.960 -0.001 0.000 0.304 73 G C 0.533 175.422 174.900 -0.018 0.000 1.210 73 G CA -0.518 44.577 45.100 -0.008 0.000 0.960 73 G HN 0.471 nan 8.290 nan 0.000 0.497 74 M N 0.830 120.418 119.600 -0.020 0.000 2.776 74 M HA 0.044 4.524 4.480 -0.001 0.000 0.233 74 M C 0.890 177.170 176.300 -0.033 0.000 1.078 74 M CA 0.535 55.817 55.300 -0.029 0.000 1.058 74 M CB -0.103 32.480 32.600 -0.028 0.000 1.611 74 M HN 0.404 nan 8.290 nan 0.000 0.541 75 N N -0.429 118.254 118.700 -0.029 0.000 2.166 75 N HA 0.052 4.792 4.740 -0.001 0.000 0.222 75 N C 0.118 175.612 175.510 -0.027 0.000 1.282 75 N CA 0.338 53.371 53.050 -0.029 0.000 0.890 75 N CB 0.678 39.150 38.487 -0.026 0.000 1.114 75 N HN 0.266 nan 8.380 nan 0.000 0.494 76 E N 0.335 120.521 120.200 -0.024 0.000 2.569 76 E HA 0.189 4.538 4.350 -0.001 0.000 0.205 76 E C -0.471 176.112 176.600 -0.027 0.000 1.006 76 E CA -0.194 56.194 56.400 -0.020 0.000 0.985 76 E CB 0.459 30.152 29.700 -0.011 0.000 1.060 76 E HN 0.132 nan 8.360 nan 0.000 0.460 77 C N 2.719 121.993 119.300 -0.043 0.000 2.319 77 C HA 0.581 5.041 4.460 -0.001 0.000 0.323 77 C C -2.335 172.590 174.990 -0.109 0.000 1.277 77 C CA -2.148 56.827 59.018 -0.071 0.000 1.517 77 C CB 0.244 27.938 27.740 -0.078 0.000 2.206 77 C HN 0.212 nan 8.230 nan 0.000 0.486 78 P HA 0.241 nan 4.420 nan 0.000 0.262 78 P C 0.520 177.663 177.300 -0.262 0.000 1.620 78 P CA 0.506 63.532 63.100 -0.123 0.000 1.089 78 P CB 0.296 31.966 31.700 -0.050 0.000 1.601 79 G N 3.994 112.657 108.800 -0.229 0.000 2.228 79 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.242 79 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.242 79 G C -0.049 174.704 174.900 -0.245 0.000 0.987 79 G CA -0.154 44.781 45.100 -0.276 0.000 0.893 79 G HN 0.566 nan 8.290 nan 0.000 0.418 80 H N 1.746 120.818 119.070 0.003 0.000 2.580 80 H HA 0.234 4.790 4.556 -0.001 0.000 0.322 80 H C 0.082 175.431 175.328 0.034 0.000 1.082 80 H CA -0.605 55.480 56.048 0.061 0.000 1.383 80 H CB 0.811 30.599 29.762 0.043 0.000 1.450 80 H HN 0.330 nan 8.280 nan 0.000 0.505 81 F N 1.032 121.057 119.950 0.125 0.000 2.471 81 F HA 0.186 4.713 4.527 -0.000 0.000 0.353 81 F C 1.583 177.411 175.800 0.047 0.000 1.113 81 F CA 0.555 58.595 58.000 0.066 0.000 1.262 81 F CB 0.723 39.747 39.000 0.040 0.000 1.146 81 F HN 0.600 nan 8.300 nan 0.000 0.578 82 G N 0.827 109.710 108.800 0.139 0.000 2.485 82 G HA2 0.317 4.276 3.960 -0.001 0.000 0.260 82 G HA3 0.317 4.276 3.960 -0.001 0.000 0.260 82 G C -1.538 173.472 174.900 0.182 0.000 1.459 82 G CA 0.088 45.256 45.100 0.114 0.000 1.060 82 G HN 0.729 nan 8.290 nan 0.000 0.546 83 H N -2.112 116.956 119.070 -0.004 0.000 3.121 83 H HA 0.541 5.097 4.556 -0.001 0.000 0.337 83 H C -1.722 173.578 175.328 -0.046 0.000 1.198 83 H CA -0.894 55.135 56.048 -0.032 0.000 1.274 83 H CB 1.236 30.972 29.762 -0.043 0.000 1.954 83 H HN 0.619 nan 8.280 nan 0.000 0.531 84 I N 4.401 124.767 120.570 -0.340 0.000 2.654 84 I HA 0.215 4.384 4.170 -0.001 0.000 0.282 84 I C -1.464 174.472 176.117 -0.302 0.000 1.258 84 I CA -0.504 60.580 61.300 -0.360 0.000 1.088 84 I CB 1.068 38.966 38.000 -0.169 0.000 1.316 84 I HN 0.551 nan 8.210 nan 0.000 0.448 85 D N 8.008 128.191 120.400 -0.361 0.000 2.345 85 D HA 0.374 5.014 4.640 -0.001 0.000 0.247 85 D C -0.279 175.956 176.300 -0.108 0.000 1.108 85 D CA 0.174 54.069 54.000 -0.174 0.000 0.894 85 D CB 2.040 42.754 40.800 -0.144 0.000 1.203 85 D HN 0.427 nan 8.370 nan 0.000 0.430 86 L N 1.469 122.656 121.223 -0.060 0.000 2.309 86 L HA 0.317 4.657 4.340 -0.001 0.000 0.282 86 L C 1.473 178.319 176.870 -0.039 0.000 1.036 86 L CA -0.770 54.043 54.840 -0.045 0.000 0.806 86 L CB 1.626 43.671 42.059 -0.024 0.000 1.220 86 L HN 0.428 nan 8.230 nan 0.000 0.429 87 A N 3.143 125.940 122.820 -0.039 0.000 1.972 87 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 87 A C 0.825 178.393 177.584 -0.028 0.000 1.169 87 A CA 1.343 53.360 52.037 -0.033 0.000 0.635 87 A CB -0.020 18.961 19.000 -0.031 0.000 0.810 87 A HN 0.621 nan 8.150 nan 0.000 0.446 88 K N -0.972 119.410 120.400 -0.030 0.000 2.477 88 K HA 0.424 4.744 4.320 -0.001 0.000 0.255 88 K C -3.207 173.367 176.600 -0.043 0.000 0.952 88 K CA -2.286 53.979 56.287 -0.037 0.000 0.826 88 K CB 1.796 34.272 32.500 -0.041 0.000 1.331 88 K HN -0.029 nan 8.250 nan 0.000 0.437 89 P HA 0.195 nan 4.420 nan 0.000 0.272 89 P C -0.624 176.613 177.300 -0.105 0.000 1.223 89 P CA -0.340 62.719 63.100 -0.069 0.000 0.784 89 P CB 0.778 32.422 31.700 -0.093 0.000 0.923 90 V N 3.095 122.970 119.914 -0.064 0.000 2.668 90 V HA 0.214 4.334 4.120 -0.001 0.000 0.304 90 V C -0.042 176.092 176.094 0.067 0.000 1.071 90 V CA -0.646 61.626 62.300 -0.046 0.000 0.894 90 V CB 1.347 33.188 31.823 0.030 0.000 1.008 90 V HN 0.335 nan 8.190 nan 0.000 0.425 91 F N 2.958 122.963 119.950 0.092 0.000 2.607 91 F HA 0.141 4.668 4.527 -0.001 0.000 0.374 91 F C 0.851 176.763 175.800 0.186 0.000 1.104 91 F CA 0.158 58.235 58.000 0.128 0.000 1.296 91 F CB -0.124 38.943 39.000 0.111 0.000 1.085 91 F HN 0.577 nan 8.300 nan 0.000 0.584 92 H N 2.894 122.163 119.070 0.332 0.000 2.620 92 H HA 0.302 4.858 4.556 -0.001 0.000 0.313 92 H C 0.942 176.340 175.328 0.118 0.000 1.075 92 H CA -0.722 55.458 56.048 0.219 0.000 1.397 92 H CB 1.042 30.976 29.762 0.286 0.000 1.446 92 H HN 0.484 nan 8.280 nan 0.000 0.493 93 V N 3.532 123.690 119.914 0.407 0.000 2.250 93 V HA -0.312 3.807 4.120 -0.001 0.000 0.253 93 V C 2.463 178.551 176.094 -0.011 0.000 1.065 93 V CA 2.117 64.535 62.300 0.197 0.000 1.039 93 V CB -1.322 30.592 31.823 0.152 0.000 0.647 93 V HN 0.969 nan 8.190 nan 0.000 0.446 94 G N -1.332 107.293 108.800 -0.291 0.000 2.535 94 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.218 94 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.218 94 G C 1.085 175.314 174.900 -1.118 0.000 1.122 94 G CA 0.670 45.191 45.100 -0.966 0.000 0.769 94 G HN 0.597 nan 8.290 nan 0.000 0.549 95 F N -0.621 119.074 119.950 -0.424 0.000 2.706 95 F HA 0.392 4.919 4.527 -0.001 0.000 0.313 95 F C 2.000 177.699 175.800 -0.168 0.000 1.096 95 F CA -0.661 57.177 58.000 -0.270 0.000 1.219 95 F CB 0.272 39.125 39.000 -0.246 0.000 1.051 95 F HN 0.008 nan 8.300 nan 0.000 0.568 96 I N 0.524 121.057 120.570 -0.061 0.000 2.248 96 I HA -0.376 3.793 4.170 -0.001 0.000 0.248 96 I C 2.650 178.685 176.117 -0.137 0.000 1.107 96 I CA 1.500 62.688 61.300 -0.186 0.000 1.373 96 I CB -0.518 37.392 38.000 -0.151 0.000 1.055 96 I HN 0.215 nan 8.210 nan 0.000 0.418 97 A N 0.473 123.241 122.820 -0.087 0.000 1.873 97 A HA -0.179 4.141 4.320 -0.001 0.000 0.215 97 A C 2.378 179.936 177.584 -0.043 0.000 1.186 97 A CA 1.365 53.354 52.037 -0.079 0.000 0.616 97 A CB -0.347 18.597 19.000 -0.092 0.000 0.823 97 A HN 0.173 nan 8.150 nan 0.000 0.442 98 K N -0.110 120.303 120.400 0.023 0.000 2.026 98 K HA -0.072 4.248 4.320 -0.001 0.000 0.208 98 K C 1.844 178.546 176.600 0.171 0.000 1.048 98 K CA 1.517 57.870 56.287 0.110 0.000 0.929 98 K CB -0.635 31.972 32.500 0.179 0.000 0.713 98 K HN 0.611 nan 8.250 nan 0.000 0.439 99 I N 1.098 121.761 120.570 0.156 0.000 2.335 99 I HA -0.312 3.858 4.170 -0.001 0.000 0.251 99 I C 2.581 178.812 176.117 0.190 0.000 1.129 99 I CA 1.251 62.692 61.300 0.235 0.000 1.402 99 I CB -0.232 37.767 38.000 -0.002 0.000 1.069 99 I HN 0.198 nan 8.210 nan 0.000 0.424 100 K N 1.578 122.004 120.400 0.043 0.000 1.984 100 K HA -0.188 4.132 4.320 -0.001 0.000 0.209 100 K C 2.168 178.839 176.600 0.118 0.000 1.046 100 K CA 1.448 57.764 56.287 0.048 0.000 0.934 100 K CB 0.004 32.497 32.500 -0.012 0.000 0.717 100 K HN 0.122 nan 8.250 nan 0.000 0.438 101 K N 0.327 120.751 120.400 0.041 0.000 2.032 101 K HA -0.139 4.181 4.320 -0.001 0.000 0.209 101 K C 2.066 178.776 176.600 0.184 0.000 1.048 101 K CA 1.663 57.929 56.287 -0.034 0.000 0.927 101 K CB -0.252 31.934 32.500 -0.523 0.000 0.712 101 K HN 0.002 nan 8.250 nan 0.000 0.441 102 V N 1.254 121.339 119.914 0.286 0.000 2.282 102 V HA -0.369 3.751 4.120 -0.001 0.000 0.249 102 V C 2.449 178.677 176.094 0.223 0.000 1.057 102 V CA 1.746 64.194 62.300 0.247 0.000 1.032 102 V CB -0.512 31.302 31.823 -0.016 0.000 0.645 102 V HN 0.480 nan 8.190 nan 0.000 0.447 103 C N -0.094 119.411 119.300 0.341 0.000 2.413 103 C HA -0.157 4.303 4.460 -0.001 0.000 0.277 103 C C 2.487 177.614 174.990 0.230 0.000 1.265 103 C CA 1.159 60.387 59.018 0.350 0.000 1.752 103 C CB -1.148 26.774 27.740 0.304 0.000 1.998 103 C HN 0.640 nan 8.230 nan 0.000 0.489 104 E N -1.077 119.256 120.200 0.221 0.000 2.482 104 E HA -0.086 4.264 4.350 -0.001 0.000 0.196 104 E C 1.767 178.463 176.600 0.159 0.000 1.047 104 E CA 0.618 57.129 56.400 0.186 0.000 0.869 104 E CB -0.037 29.821 29.700 0.264 0.000 0.836 104 E HN 0.704 nan 8.360 nan 0.000 0.520 105 C N 0.096 119.502 119.300 0.177 0.000 2.525 105 C HA 0.182 4.642 4.460 -0.001 0.000 0.291 105 C C 1.170 176.220 174.990 0.100 0.000 1.351 105 C CA -0.491 58.601 59.018 0.123 0.000 1.771 105 C CB 0.331 28.147 27.740 0.127 0.000 2.177 105 C HN 0.144 nan 8.230 nan 0.000 0.510 106 V N 0.702 120.689 119.914 0.122 0.000 2.612 106 V HA 0.417 4.537 4.120 -0.001 0.000 0.301 106 V C -0.071 176.109 176.094 0.143 0.000 1.046 106 V CA -0.793 61.577 62.300 0.117 0.000 0.946 106 V CB 1.359 33.249 31.823 0.113 0.000 1.003 106 V HN 0.563 nan 8.190 nan 0.000 0.459 107 C N 7.850 127.229 119.300 0.133 0.000 2.634 107 C HA 0.145 4.605 4.460 -0.001 0.000 0.418 107 C C 1.471 176.582 174.990 0.202 0.000 1.373 107 C CA -0.524 58.587 59.018 0.154 0.000 1.756 107 C CB -0.367 27.456 27.740 0.139 0.000 2.589 107 C HN 0.872 nan 8.230 nan 0.000 0.602 108 M N 5.849 125.589 119.600 0.235 0.000 2.726 108 M HA 0.054 4.534 4.480 -0.001 0.000 0.211 108 M C 1.192 177.659 176.300 0.277 0.000 1.190 108 M CA 0.891 56.350 55.300 0.265 0.000 1.000 108 M CB -1.706 31.075 32.600 0.303 0.000 1.790 108 M HN 0.870 nan 8.290 nan 0.000 0.467 109 H N -0.945 118.211 119.070 0.144 0.000 1.955 109 H HA 0.061 4.617 4.556 -0.001 0.000 0.196 109 H C 1.542 176.897 175.328 0.046 0.000 0.891 109 H CA 1.239 57.344 56.048 0.095 0.000 1.001 109 H CB 0.594 30.403 29.762 0.077 0.000 1.195 109 H HN 0.471 nan 8.280 nan 0.000 0.384 110 C N -0.029 119.379 119.300 0.180 0.000 2.865 110 C HA 0.583 5.043 4.460 -0.001 0.000 0.280 110 C C 1.531 176.547 174.990 0.044 0.000 1.255 110 C CA 0.479 59.520 59.018 0.039 0.000 1.705 110 C CB 0.155 27.944 27.740 0.081 0.000 2.080 110 C HN 0.779 nan 8.230 nan 0.000 0.591 111 G N 1.368 110.242 108.800 0.122 0.000 2.182 111 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.248 111 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.248 111 G C -0.241 174.721 174.900 0.104 0.000 1.042 111 G CA 0.492 45.681 45.100 0.148 0.000 0.775 111 G HN 0.880 nan 8.290 nan 0.000 0.501 112 K N -0.046 120.406 120.400 0.086 0.000 2.164 112 K HA 0.692 5.012 4.320 -0.001 0.000 0.258 112 K C 0.943 177.579 176.600 0.060 0.000 0.951 112 K CA -1.100 55.222 56.287 0.059 0.000 0.844 112 K CB 0.657 33.187 32.500 0.050 0.000 1.099 112 K HN 0.127 nan 8.250 nan 0.000 0.435 113 L N 5.532 126.782 121.223 0.044 0.000 2.525 113 L HA -0.042 4.298 4.340 -0.001 0.000 0.278 113 L C 1.277 178.173 176.870 0.043 0.000 1.218 113 L CA 0.086 54.953 54.840 0.044 0.000 0.878 113 L CB 0.386 42.463 42.059 0.031 0.000 1.127 113 L HN 0.800 nan 8.230 nan 0.000 0.492 114 L N 4.565 125.814 121.223 0.042 0.000 2.362 114 L HA -0.030 4.309 4.340 -0.001 0.000 0.219 114 L C 0.264 177.148 176.870 0.023 0.000 1.134 114 L CA 0.873 55.733 54.840 0.033 0.000 0.807 114 L CB -0.194 41.879 42.059 0.023 0.000 0.927 114 L HN 0.488 nan 8.230 nan 0.000 0.447 115 L N -0.922 120.313 121.223 0.021 0.000 2.434 115 L HA 0.401 4.741 4.340 -0.001 0.000 0.260 115 L C -1.238 175.642 176.870 0.016 0.000 0.983 115 L CA -0.819 54.032 54.840 0.018 0.000 0.820 115 L CB 2.159 44.219 42.059 0.001 0.000 1.361 115 L HN -0.059 nan 8.230 nan 0.000 0.410 116 D N -0.320 120.090 120.400 0.016 0.000 3.076 116 D HA 0.181 4.821 4.640 -0.001 0.000 0.301 116 D C 0.247 176.509 176.300 -0.064 0.000 1.260 116 D CA -0.511 53.476 54.000 -0.022 0.000 1.027 116 D CB 0.459 41.245 40.800 -0.023 0.000 1.370 116 D HN 0.325 nan 8.370 nan 0.000 0.602 117 E N -1.018 119.082 120.200 -0.167 0.000 2.409 117 E HA -0.065 4.284 4.350 -0.001 0.000 0.198 117 E C 1.012 177.495 176.600 -0.194 0.000 1.024 117 E CA 0.826 57.109 56.400 -0.195 0.000 0.861 117 E CB -0.342 29.208 29.700 -0.251 0.000 0.788 117 E HN 0.356 nan 8.360 nan 0.000 0.521 118 H N -0.161 118.906 119.070 -0.004 0.000 2.543 118 H HA 0.120 4.676 4.556 -0.001 0.000 0.269 118 H C 0.176 175.500 175.328 -0.006 0.000 1.005 118 H CA 0.307 56.352 56.048 -0.005 0.000 1.146 118 H CB -0.010 29.749 29.762 -0.005 0.000 1.353 118 H HN 0.030 nan 8.280 nan 0.000 0.595 119 N N 1.086 119.827 118.700 0.069 0.000 2.483 119 N HA -0.005 4.735 4.740 -0.001 0.000 0.267 119 N C 0.651 176.170 175.510 0.015 0.000 0.998 119 N CA -0.098 52.975 53.050 0.039 0.000 0.918 119 N CB 1.647 40.149 38.487 0.026 0.000 1.215 119 N HN 0.111 nan 8.380 nan 0.000 0.500 120 E N 2.501 122.710 120.200 0.015 0.000 2.160 120 E HA -0.105 4.244 4.350 -0.001 0.000 0.195 120 E C 1.250 177.850 176.600 0.000 0.000 0.991 120 E CA 1.053 57.457 56.400 0.006 0.000 0.810 120 E CB 0.328 30.032 29.700 0.008 0.000 0.742 120 E HN 0.645 nan 8.360 nan 0.000 0.466 121 L N -0.224 120.997 121.223 -0.003 0.000 2.313 121 L HA -0.083 4.256 4.340 -0.001 0.000 0.214 121 L C 2.345 179.210 176.870 -0.009 0.000 1.119 121 L CA 0.248 55.083 54.840 -0.008 0.000 0.809 121 L CB -0.081 41.969 42.059 -0.014 0.000 0.933 121 L HN 0.246 nan 8.230 nan 0.000 0.449 122 M N -0.313 119.282 119.600 -0.008 0.000 2.236 122 M HA -0.095 4.385 4.480 -0.001 0.000 0.266 122 M C 2.255 178.550 176.300 -0.008 0.000 1.070 122 M CA 1.609 56.903 55.300 -0.009 0.000 1.137 122 M CB -0.190 32.404 32.600 -0.009 0.000 1.378 122 M HN -0.068 nan 8.290 nan 0.000 0.426 123 R N -0.377 120.117 120.500 -0.010 0.000 2.081 123 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 123 R C 2.192 178.490 176.300 -0.003 0.000 1.131 123 R CA 1.971 58.064 56.100 -0.012 0.000 0.960 123 R CB -0.340 29.951 30.300 -0.014 0.000 0.856 123 R HN 0.571 nan 8.270 nan 0.000 0.436 124 Q N -0.760 119.040 119.800 -0.001 0.000 2.291 124 Q HA -0.127 4.213 4.340 -0.001 0.000 0.206 124 Q C 1.863 177.868 176.000 0.007 0.000 0.976 124 Q CA 1.354 57.159 55.803 0.004 0.000 0.875 124 Q CB 0.050 28.790 28.738 0.003 0.000 0.927 124 Q HN 0.363 nan 8.270 nan 0.000 0.450 125 A N 0.539 123.362 122.820 0.006 0.000 1.943 125 A HA -0.001 4.319 4.320 -0.001 0.000 0.213 125 A C 1.985 179.581 177.584 0.020 0.000 1.181 125 A CA 0.338 52.383 52.037 0.013 0.000 0.653 125 A CB -0.295 18.709 19.000 0.008 0.000 0.833 125 A HN 0.236 nan 8.150 nan 0.000 0.451 126 L N -0.522 120.709 121.223 0.014 0.000 2.275 126 L HA -0.137 4.202 4.340 -0.001 0.000 0.215 126 L C 2.840 179.720 176.870 0.017 0.000 1.119 126 L CA 0.829 55.678 54.840 0.016 0.000 0.790 126 L CB -0.372 41.688 42.059 0.002 0.000 0.919 126 L HN 0.437 nan 8.230 nan 0.000 0.443 127 A N 0.014 122.841 122.820 0.013 0.000 2.066 127 A HA 0.050 4.369 4.320 -0.001 0.000 0.218 127 A C 1.227 178.823 177.584 0.019 0.000 1.157 127 A CA 0.068 52.113 52.037 0.013 0.000 0.670 127 A CB -0.446 18.560 19.000 0.010 0.000 0.804 127 A HN 0.256 nan 8.150 nan 0.000 0.453 128 I N 0.697 121.281 120.570 0.024 0.000 2.826 128 I HA -0.084 4.086 4.170 -0.001 0.000 0.295 128 I C 1.228 177.363 176.117 0.029 0.000 1.213 128 I CA -0.250 61.066 61.300 0.027 0.000 1.436 128 I CB 0.546 38.566 38.000 0.034 0.000 1.348 128 I HN 0.195 nan 8.210 nan 0.000 0.570 129 K N 3.241 123.655 120.400 0.024 0.000 2.044 129 K HA -0.041 4.278 4.320 -0.001 0.000 0.204 129 K C 0.513 177.127 176.600 0.023 0.000 1.045 129 K CA 0.674 56.974 56.287 0.022 0.000 0.951 129 K CB -0.283 32.227 32.500 0.018 0.000 0.738 129 K HN 0.578 nan 8.250 nan 0.000 0.443 130 D N 2.251 122.663 120.400 0.019 0.000 2.402 130 D HA -0.049 4.590 4.640 -0.001 0.000 0.268 130 D C 0.913 177.228 176.300 0.026 0.000 1.294 130 D CA 0.166 54.175 54.000 0.016 0.000 0.945 130 D CB 0.703 41.510 40.800 0.013 0.000 1.112 130 D HN 0.138 nan 8.370 nan 0.000 0.517 131 S N 3.905 119.614 115.700 0.015 0.000 2.420 131 S HA -0.252 4.218 4.470 -0.001 0.000 0.237 131 S C 1.563 176.180 174.600 0.029 0.000 1.023 131 S CA 0.970 59.179 58.200 0.015 0.000 0.991 131 S CB -0.053 63.130 63.200 -0.029 0.000 0.792 131 S HN 0.531 nan 8.310 nan 0.000 0.488 132 K N 1.023 121.430 120.400 0.011 0.000 2.076 132 K HA 0.114 4.434 4.320 -0.001 0.000 0.204 132 K C 2.316 178.970 176.600 0.090 0.000 1.051 132 K CA 0.860 57.166 56.287 0.031 0.000 0.949 132 K CB -0.087 32.407 32.500 -0.009 0.000 0.726 132 K HN 0.273 nan 8.250 nan 0.000 0.443 133 K N 0.723 121.162 120.400 0.064 0.000 2.217 133 K HA -0.071 4.248 4.320 -0.001 0.000 0.202 133 K C 2.156 178.807 176.600 0.084 0.000 1.051 133 K CA 0.662 56.989 56.287 0.066 0.000 0.952 133 K CB 0.052 32.575 32.500 0.040 0.000 0.736 133 K HN 0.111 nan 8.250 nan 0.000 0.453 134 R N 0.157 120.715 120.500 0.097 0.000 2.057 134 R HA -0.089 4.251 4.340 -0.001 0.000 0.229 134 R C 2.211 178.601 176.300 0.149 0.000 1.136 134 R CA 0.963 57.125 56.100 0.104 0.000 0.952 134 R CB -0.334 30.025 30.300 0.098 0.000 0.848 134 R HN 0.049 nan 8.270 nan 0.000 0.430 135 F N 1.417 121.389 119.950 0.037 0.000 2.154 135 F HA -0.223 4.304 4.527 -0.001 0.000 0.301 135 F C 1.986 177.856 175.800 0.116 0.000 1.087 135 F CA 1.568 59.602 58.000 0.058 0.000 1.274 135 F CB -0.400 38.596 39.000 -0.006 0.000 1.009 135 F HN 0.130 nan 8.300 nan 0.000 0.485 136 A N 0.188 123.074 122.820 0.110 0.000 1.854 136 A HA 0.058 4.378 4.320 -0.001 0.000 0.214 136 A C 2.413 180.060 177.584 0.104 0.000 1.192 136 A CA 1.513 53.612 52.037 0.102 0.000 0.611 136 A CB -1.571 17.503 19.000 0.124 0.000 0.832 136 A HN 0.446 nan 8.150 nan 0.000 0.442 137 A N -0.359 122.501 122.820 0.067 0.000 2.019 137 A HA -0.043 4.276 4.320 -0.001 0.000 0.219 137 A C 2.057 179.643 177.584 0.004 0.000 1.164 137 A CA 1.513 53.571 52.037 0.034 0.000 0.644 137 A CB -0.569 18.450 19.000 0.032 0.000 0.805 137 A HN 0.519 nan 8.150 nan 0.000 0.449 138 I N -2.934 117.639 120.570 0.005 0.000 2.400 138 I HA -0.162 4.008 4.170 -0.001 0.000 0.248 138 I C 2.317 178.410 176.117 -0.041 0.000 1.109 138 I CA 0.976 62.267 61.300 -0.015 0.000 1.425 138 I CB -0.300 37.705 38.000 0.008 0.000 1.094 138 I HN 0.690 nan 8.210 nan 0.000 0.425 139 W N 2.054 123.182 121.300 -0.288 0.000 2.374 139 W HA -0.174 4.486 4.660 -0.001 0.000 0.288 139 W C 2.211 178.626 176.519 -0.173 0.000 1.218 139 W CA 1.642 58.805 57.345 -0.303 0.000 1.245 139 W CB -0.429 28.737 29.460 -0.490 0.000 1.126 139 W HN -0.054 nan 8.180 nan 0.000 0.545 140 T N 1.006 115.384 114.554 -0.294 0.000 2.995 140 T HA -0.119 4.230 4.350 -0.001 0.000 0.269 140 T C 1.547 176.047 174.700 -0.334 0.000 1.091 140 T CA 1.258 63.092 62.100 -0.443 0.000 1.128 140 T CB -0.185 68.567 68.868 -0.194 0.000 0.891 140 T HN -0.002 nan 8.240 nan 0.000 0.492 141 L N -0.016 121.077 121.223 -0.218 0.000 2.253 141 L HA 0.191 4.531 4.340 -0.001 0.000 0.205 141 L C 2.338 179.114 176.870 -0.156 0.000 1.078 141 L CA 0.951 55.699 54.840 -0.153 0.000 0.805 141 L CB -0.364 41.643 42.059 -0.086 0.000 0.963 141 L HN 0.285 nan 8.230 nan 0.000 0.459 142 C N -0.244 118.958 119.300 -0.162 0.000 2.533 142 C HA -0.022 4.437 4.460 -0.001 0.000 0.272 142 C C 2.508 177.403 174.990 -0.159 0.000 1.371 142 C CA 0.131 59.079 59.018 -0.117 0.000 1.758 142 C CB -0.796 26.915 27.740 -0.048 0.000 1.972 142 C HN 0.553 nan 8.230 nan 0.000 0.522 143 K N 0.945 121.153 120.400 -0.320 0.000 2.283 143 K HA -0.078 4.241 4.320 -0.001 0.000 0.202 143 K C 1.462 177.926 176.600 -0.227 0.000 1.048 143 K CA 1.587 57.679 56.287 -0.324 0.000 0.948 143 K CB -0.550 31.543 32.500 -0.678 0.000 0.742 143 K HN 0.325 nan 8.250 nan 0.000 0.458 144 T N 1.096 115.521 114.554 -0.214 0.000 2.732 144 T HA -0.020 4.329 4.350 -0.001 0.000 0.261 144 T C 0.511 175.151 174.700 -0.100 0.000 1.040 144 T CA 0.689 62.700 62.100 -0.149 0.000 1.145 144 T CB 0.015 68.802 68.868 -0.135 0.000 0.866 144 T HN 0.098 nan 8.240 nan 0.000 0.427 145 K N 1.986 122.335 120.400 -0.084 0.000 2.453 145 K HA 0.112 4.432 4.320 -0.001 0.000 0.280 145 K C 0.069 176.643 176.600 -0.042 0.000 1.045 145 K CA 0.568 56.825 56.287 -0.050 0.000 1.059 145 K CB 0.342 32.821 32.500 -0.034 0.000 0.901 145 K HN 0.394 nan 8.250 nan 0.000 0.475 146 M N 2.030 121.612 119.600 -0.031 0.000 2.603 146 M HA 0.153 4.632 4.480 -0.001 0.000 0.380 146 M C -0.744 175.560 176.300 0.006 0.000 1.158 146 M CA -0.227 55.056 55.300 -0.028 0.000 0.921 146 M CB 0.983 33.553 32.600 -0.050 0.000 1.417 146 M HN -0.005 nan 8.290 nan 0.000 0.523 147 V N -0.230 119.692 119.914 0.014 0.000 2.808 147 V HA 0.236 4.355 4.120 -0.001 0.000 0.308 147 V C -1.006 175.105 176.094 0.028 0.000 1.099 147 V CA -1.289 61.029 62.300 0.029 0.000 0.920 147 V CB 2.463 34.297 31.823 0.019 0.000 1.014 147 V HN 0.360 nan 8.190 nan 0.000 0.425 148 C N 5.041 124.363 119.300 0.037 0.000 2.218 148 C HA 0.390 4.850 4.460 -0.001 0.000 0.353 148 C C 0.781 175.783 174.990 0.020 0.000 1.070 148 C CA -0.540 58.499 59.018 0.034 0.000 1.497 148 C CB -1.625 26.142 27.740 0.044 0.000 1.951 148 C HN 0.939 nan 8.230 nan 0.000 0.493 149 E N 3.289 123.498 120.200 0.016 0.000 2.442 149 E HA 0.041 4.391 4.350 -0.001 0.000 0.262 149 E C 0.906 177.508 176.600 0.004 0.000 1.004 149 E CA 0.249 56.652 56.400 0.007 0.000 0.928 149 E CB 0.788 30.491 29.700 0.005 0.000 0.937 149 E HN 0.680 nan 8.360 nan 0.000 0.446 150 T N 1.376 115.925 114.554 -0.007 0.000 3.034 150 T HA 0.019 4.369 4.350 -0.001 0.000 0.248 150 T C -0.288 174.396 174.700 -0.028 0.000 1.040 150 T CA 0.301 62.394 62.100 -0.012 0.000 1.107 150 T CB 0.357 69.216 68.868 -0.015 0.000 0.932 150 T HN 0.402 nan 8.240 nan 0.000 0.474 151 D N 1.268 121.646 120.400 -0.036 0.000 2.696 151 D HA 0.522 5.162 4.640 -0.001 0.000 0.251 151 D C -1.224 175.038 176.300 -0.064 0.000 1.188 151 D CA -0.177 53.788 54.000 -0.059 0.000 0.876 151 D CB 2.956 43.728 40.800 -0.047 0.000 1.334 151 D HN -0.012 nan 8.370 nan 0.000 0.540 152 V N 2.824 122.675 119.914 -0.106 0.000 2.735 152 V HA 0.385 4.505 4.120 -0.001 0.000 0.310 152 V C -2.297 173.731 176.094 -0.111 0.000 1.061 152 V CA -1.839 60.408 62.300 -0.089 0.000 0.913 152 V CB 2.580 34.364 31.823 -0.065 0.000 1.005 152 V HN 0.367 nan 8.190 nan 0.000 0.428 153 P HA 0.099 nan 4.420 nan 0.000 0.266 153 P C 0.058 177.336 177.300 -0.038 0.000 1.215 153 P CA 0.239 63.310 63.100 -0.047 0.000 0.763 153 P CB 0.743 32.429 31.700 -0.024 0.000 0.806 154 S N 2.503 118.177 115.700 -0.045 0.000 2.626 154 S HA 0.067 4.537 4.470 -0.001 0.000 0.257 154 S C 1.283 175.903 174.600 0.033 0.000 1.288 154 S CA -0.402 57.801 58.200 0.005 0.000 0.980 154 S CB 0.306 63.505 63.200 -0.001 0.000 0.975 154 S HN 0.441 nan 8.310 nan 0.000 0.577 155 E N 0.785 121.020 120.200 0.059 0.000 2.160 155 E HA -0.126 4.224 4.350 -0.001 0.000 0.195 155 E C 0.378 176.991 176.600 0.023 0.000 0.991 155 E CA 1.275 57.699 56.400 0.040 0.000 0.810 155 E CB -0.191 29.534 29.700 0.041 0.000 0.742 155 E HN 0.597 nan 8.360 nan 0.000 0.466 156 D N 1.393 121.805 120.400 0.020 0.000 2.158 156 D HA -0.024 4.616 4.640 -0.001 0.000 0.275 156 D C 0.142 176.445 176.300 0.005 0.000 1.170 156 D CA 0.056 54.062 54.000 0.011 0.000 1.007 156 D CB -0.096 40.709 40.800 0.009 0.000 1.144 156 D HN -0.069 nan 8.370 nan 0.000 0.509 157 D N 1.938 122.339 120.400 0.001 0.000 2.502 157 D HA -0.025 4.614 4.640 -0.001 0.000 0.249 157 D C -1.245 175.051 176.300 -0.006 0.000 1.188 157 D CA -0.485 53.514 54.000 -0.002 0.000 0.890 157 D CB 0.784 41.581 40.800 -0.004 0.000 1.140 157 D HN 0.174 nan 8.370 nan 0.000 0.505 158 P HA -0.125 nan 4.420 nan 0.000 0.230 158 P C 1.104 178.398 177.300 -0.011 0.000 1.158 158 P CA 0.701 63.796 63.100 -0.008 0.000 0.769 158 P CB 0.271 31.968 31.700 -0.005 0.000 0.807 159 T N -0.548 114.000 114.554 -0.009 0.000 2.684 159 T HA -0.139 4.211 4.350 -0.001 0.000 0.267 159 T C 1.195 175.887 174.700 -0.014 0.000 1.036 159 T CA 1.176 63.270 62.100 -0.010 0.000 1.148 159 T CB -0.404 68.459 68.868 -0.008 0.000 0.863 159 T HN 0.339 nan 8.240 nan 0.000 0.436 160 Q N 0.220 120.011 119.800 -0.015 0.000 2.221 160 Q HA 0.617 4.957 4.340 -0.001 0.000 0.242 160 Q C -0.553 175.429 176.000 -0.031 0.000 0.940 160 Q CA -0.397 55.393 55.803 -0.021 0.000 0.896 160 Q CB 1.332 30.059 28.738 -0.018 0.000 1.226 160 Q HN 0.333 nan 8.270 nan 0.000 0.463 161 L N 0.252 121.451 121.223 -0.039 0.000 2.299 161 L HA 0.747 5.086 4.340 -0.001 0.000 0.268 161 L C -0.670 176.152 176.870 -0.080 0.000 1.012 161 L CA -1.120 53.685 54.840 -0.059 0.000 0.816 161 L CB 1.710 43.737 42.059 -0.053 0.000 1.355 161 L HN 0.294 nan 8.230 nan 0.000 0.457 162 V N -0.314 119.523 119.914 -0.128 0.000 2.777 162 V HA 0.275 4.395 4.120 -0.001 0.000 0.306 162 V C -0.377 175.607 176.094 -0.183 0.000 1.112 162 V CA -0.686 61.514 62.300 -0.166 0.000 0.917 162 V CB 2.245 33.909 31.823 -0.265 0.000 1.018 162 V HN 0.889 nan 8.190 nan 0.000 0.426 163 S N 5.434 121.066 115.700 -0.112 0.000 2.617 163 S HA 0.781 5.250 4.470 -0.001 0.000 0.269 163 S C 0.054 174.619 174.600 -0.059 0.000 1.292 163 S CA -0.638 57.517 58.200 -0.076 0.000 1.010 163 S CB 1.875 65.052 63.200 -0.039 0.000 0.944 163 S HN 0.902 nan 8.310 nan 0.000 0.536 164 R N 1.102 121.590 120.500 -0.019 0.000 2.841 164 R HA 0.561 4.901 4.340 -0.001 0.000 0.094 164 R C 0.630 176.948 176.300 0.030 0.000 0.721 164 R CA -0.563 55.559 56.100 0.037 0.000 0.544 164 R CB -0.486 29.864 30.300 0.084 0.000 0.458 164 R HN 0.667 nan 8.270 nan 0.000 0.334 165 G N 0.340 109.162 108.800 0.036 0.000 2.307 165 G HA2 0.269 4.228 3.960 -0.001 0.000 0.271 165 G HA3 0.269 4.228 3.960 -0.001 0.000 0.271 165 G C 0.773 175.683 174.900 0.015 0.000 1.191 165 G CA 0.096 45.212 45.100 0.028 0.000 1.024 165 G HN 0.637 nan 8.290 nan 0.000 0.441 166 G N 1.104 109.911 108.800 0.011 0.000 2.653 166 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.212 166 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.212 166 G C 0.870 175.768 174.900 -0.002 0.000 1.138 166 G CA 0.802 45.904 45.100 0.003 0.000 0.782 166 G HN 0.795 nan 8.290 nan 0.000 0.535 167 C N -0.536 118.766 119.300 0.003 0.000 2.364 167 C HA 0.780 5.240 4.460 -0.001 0.000 0.356 167 C C 1.458 176.438 174.990 -0.017 0.000 1.201 167 C CA 0.126 59.137 59.018 -0.011 0.000 2.227 167 C CB 1.323 29.073 27.740 0.017 0.000 2.387 167 C HN 0.222 nan 8.230 nan 0.000 0.546 168 G N 4.091 112.864 108.800 -0.044 0.000 4.008 168 G HA2 0.165 4.125 3.960 -0.001 0.000 0.278 168 G HA3 0.165 4.125 3.960 -0.001 0.000 0.278 168 G C -0.058 174.827 174.900 -0.026 0.000 1.021 168 G CA -0.171 44.913 45.100 -0.027 0.000 0.833 168 G HN 0.737 nan 8.290 nan 0.000 0.454 169 N N 1.870 120.536 118.700 -0.056 0.000 2.381 169 N HA 0.169 4.909 4.740 -0.001 0.000 0.241 169 N C 0.843 176.395 175.510 0.070 0.000 1.279 169 N CA 0.539 53.572 53.050 -0.028 0.000 0.896 169 N CB 0.831 39.250 38.487 -0.114 0.000 1.118 169 N HN 0.286 nan 8.380 nan 0.000 0.438 170 T N -1.219 113.418 114.554 0.139 0.000 2.788 170 T HA 0.275 4.624 4.350 -0.001 0.000 0.287 170 T C 0.280 175.148 174.700 0.280 0.000 1.007 170 T CA -0.570 61.645 62.100 0.191 0.000 1.005 170 T CB 1.007 70.014 68.868 0.232 0.000 1.012 170 T HN 0.265 nan 8.240 nan 0.000 0.530 171 Q N 1.115 120.987 119.800 0.120 0.000 2.248 171 Q HA 0.596 4.936 4.340 -0.001 0.000 0.263 171 Q C -2.547 173.224 176.000 -0.383 0.000 1.007 171 Q CA -2.177 53.625 55.803 -0.001 0.000 0.877 171 Q CB 1.761 30.493 28.738 -0.010 0.000 1.315 171 Q HN 0.530 nan 8.270 nan 0.000 0.454 172 P HA 0.271 nan 4.420 nan 0.000 0.290 172 P C -1.044 175.988 177.300 -0.446 0.000 1.283 172 P CA -0.594 61.908 63.100 -0.996 0.000 0.869 172 P CB 1.307 32.090 31.700 -1.528 0.000 1.100 173 T N 3.332 117.677 114.554 -0.348 0.000 3.162 173 T HA 0.310 4.660 4.350 -0.001 0.000 0.316 173 T C 0.769 175.388 174.700 -0.135 0.000 1.182 173 T CA -0.194 61.801 62.100 -0.175 0.000 1.015 173 T CB -1.132 67.664 68.868 -0.121 0.000 1.089 173 T HN 0.231 nan 8.240 nan 0.000 0.646 174 I N 4.508 125.017 120.570 -0.102 0.000 2.683 174 I HA 0.156 4.326 4.170 -0.001 0.000 0.286 174 I C 0.955 177.074 176.117 0.003 0.000 1.175 174 I CA 0.113 61.387 61.300 -0.043 0.000 1.429 174 I CB 0.193 38.196 38.000 0.004 0.000 1.371 174 I HN 0.447 nan 8.210 nan 0.000 0.569 175 R N 5.125 125.631 120.500 0.010 0.000 2.795 175 R HA 0.612 4.952 4.340 -0.001 0.000 0.275 175 R C -1.101 175.219 176.300 0.033 0.000 0.981 175 R CA -1.203 54.912 56.100 0.025 0.000 0.917 175 R CB 1.867 32.179 30.300 0.020 0.000 1.202 175 R HN 0.400 nan 8.270 nan 0.000 0.469 176 K N 0.705 121.124 120.400 0.032 0.000 2.098 176 K HA 0.129 4.449 4.320 -0.001 0.000 0.261 176 K C -0.889 175.737 176.600 0.043 0.000 0.987 176 K CA -0.447 55.860 56.287 0.033 0.000 0.916 176 K CB 0.994 33.505 32.500 0.018 0.000 1.039 176 K HN 0.676 nan 8.250 nan 0.000 0.455 177 D N 2.553 122.986 120.400 0.056 0.000 2.968 177 D HA 0.204 4.844 4.640 -0.001 0.000 0.301 177 D C 0.252 176.594 176.300 0.070 0.000 1.226 177 D CA 0.701 54.736 54.000 0.059 0.000 0.746 177 D CB 0.503 41.340 40.800 0.062 0.000 1.278 177 D HN 0.908 nan 8.370 nan 0.000 0.544 178 G N 1.176 110.017 108.800 0.068 0.000 2.866 178 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.274 178 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.274 178 G C 0.579 175.545 174.900 0.110 0.000 1.413 178 G CA 0.204 45.355 45.100 0.086 0.000 0.997 178 G HN 0.365 nan 8.290 nan 0.000 0.559 179 L N 1.416 122.726 121.223 0.146 0.000 2.769 179 L HA 0.421 4.761 4.340 -0.001 0.000 0.240 179 L C 0.654 177.677 176.870 0.255 0.000 1.163 179 L CA 0.138 55.098 54.840 0.201 0.000 0.962 179 L CB 0.179 42.380 42.059 0.238 0.000 1.258 179 L HN 0.256 nan 8.230 nan 0.000 0.513 180 K N 0.498 121.017 120.400 0.197 0.000 2.443 180 K HA 0.681 5.001 4.320 -0.001 0.000 0.251 180 K C -1.148 175.560 176.600 0.180 0.000 0.972 180 K CA -0.781 55.646 56.287 0.234 0.000 0.833 180 K CB 2.947 35.548 32.500 0.168 0.000 1.317 180 K HN -0.094 nan 8.250 nan 0.000 0.441 181 L N 1.655 123.010 121.223 0.221 0.000 2.346 181 L HA 0.580 4.920 4.340 -0.001 0.000 0.276 181 L C -0.844 176.108 176.870 0.137 0.000 1.006 181 L CA -1.255 53.671 54.840 0.142 0.000 0.817 181 L CB 1.952 44.090 42.059 0.132 0.000 1.272 181 L HN 0.266 nan 8.230 nan 0.000 0.421 182 V N 1.114 121.084 119.914 0.094 0.000 2.540 182 V HA 0.683 4.803 4.120 -0.001 0.000 0.302 182 V C 0.289 176.409 176.094 0.044 0.000 1.035 182 V CA -0.566 61.790 62.300 0.094 0.000 0.873 182 V CB 1.813 33.686 31.823 0.083 0.000 0.992 182 V HN 0.868 nan 8.190 nan 0.000 0.428 183 G N 2.083 110.916 108.800 0.054 0.000 2.416 183 G HA2 0.603 4.562 3.960 -0.001 0.000 0.324 183 G HA3 0.603 4.562 3.960 -0.001 0.000 0.324 183 G C -0.304 174.499 174.900 -0.162 0.000 1.194 183 G CA -0.413 44.580 45.100 -0.179 0.000 0.922 183 G HN 0.865 nan 8.290 nan 0.000 0.467 184 S N 1.928 117.461 115.700 -0.278 0.000 2.456 184 S HA 0.590 5.060 4.470 -0.001 0.000 0.316 184 S C -0.530 173.943 174.600 -0.212 0.000 1.089 184 S CA -0.922 57.225 58.200 -0.089 0.000 1.101 184 S CB 1.357 64.534 63.200 -0.038 0.000 0.995 184 S HN 0.587 nan 8.310 nan 0.000 0.468 185 W N 1.836 123.154 121.300 0.030 0.000 2.497 185 W HA 0.687 5.347 4.660 -0.001 0.000 0.359 185 W C 0.422 176.952 176.519 0.017 0.000 1.131 185 W CA -0.799 56.561 57.345 0.025 0.000 1.280 185 W CB 1.964 31.439 29.460 0.026 0.000 1.319 185 W HN 0.830 nan 8.180 nan 0.000 0.626 186 K N 0.239 120.788 120.400 0.247 0.000 3.073 186 K HA 0.138 4.458 4.320 -0.001 0.000 0.300 186 K C -1.655 175.013 176.600 0.112 0.000 1.082 186 K CA -0.660 55.710 56.287 0.138 0.000 0.803 186 K CB 0.894 33.440 32.500 0.076 0.000 1.488 186 K HN 0.335 nan 8.250 nan 0.000 0.372 187 K N 2.257 122.699 120.400 0.071 0.000 2.624 187 K HA 0.245 4.564 4.320 -0.001 0.000 0.200 187 K C -1.712 174.907 176.600 0.031 0.000 1.036 187 K CA -0.530 55.788 56.287 0.052 0.000 1.029 187 K CB 0.790 33.316 32.500 0.044 0.000 1.317 187 K HN 0.632 nan 8.250 nan 0.000 0.555 188 D N 1.710 122.125 120.400 0.024 0.000 10.441 188 D HA -0.144 4.496 4.640 -0.001 0.000 0.313 188 D C -0.544 175.762 176.300 0.009 0.000 2.994 188 D CA 0.782 54.788 54.000 0.011 0.000 2.691 188 D CB 0.260 41.065 40.800 0.009 0.000 1.149 188 D HN 0.499 nan 8.370 nan 0.000 0.886 189 R N 1.085 121.586 120.500 0.001 0.000 2.449 189 R HA 0.398 4.738 4.340 -0.001 0.000 0.296 189 R C 0.830 177.130 176.300 0.001 0.000 1.047 189 R CA 0.559 56.658 56.100 -0.001 0.000 1.018 189 R CB 0.495 30.790 30.300 -0.009 0.000 0.962 189 R HN 0.658 nan 8.270 nan 0.000 0.428 190 A N 2.433 125.256 122.820 0.004 0.000 2.237 190 A HA -0.171 4.148 4.320 -0.001 0.000 0.281 190 A C -0.327 177.260 177.584 0.004 0.000 1.414 190 A CA 1.001 53.040 52.037 0.004 0.000 0.733 190 A CB -1.510 17.490 19.000 0.001 0.000 1.168 190 A HN 0.693 nan 8.150 nan 0.000 0.347 191 T N -0.330 114.228 114.554 0.007 0.000 2.868 191 T HA 0.696 5.046 4.350 -0.001 0.000 0.306 191 T C 0.652 175.357 174.700 0.008 0.000 1.224 191 T CA -0.025 62.079 62.100 0.007 0.000 1.012 191 T CB 1.797 70.669 68.868 0.007 0.000 1.221 191 T HN 1.743 nan 8.240 nan 0.000 0.499 192 G N -0.218 108.586 108.800 0.007 0.000 2.606 192 G HA2 0.428 4.387 3.960 -0.001 0.000 0.252 192 G HA3 0.428 4.387 3.960 -0.001 0.000 0.252 192 G C 0.023 174.928 174.900 0.009 0.000 1.206 192 G CA -0.245 44.859 45.100 0.007 0.000 0.861 192 G HN 0.873 nan 8.290 nan 0.000 0.561 193 D N -1.068 119.338 120.400 0.009 0.000 2.811 193 D HA -0.204 4.436 4.640 -0.001 0.000 0.231 193 D C 1.009 177.317 176.300 0.013 0.000 1.157 193 D CA 1.482 55.487 54.000 0.009 0.000 0.716 193 D CB -0.993 39.811 40.800 0.007 0.000 1.077 193 D HN 0.911 nan 8.370 nan 0.000 0.428 194 A N -0.297 122.533 122.820 0.017 0.000 2.431 194 A HA 0.080 4.400 4.320 -0.001 0.000 0.221 194 A C 0.222 177.823 177.584 0.028 0.000 1.291 194 A CA -0.411 51.640 52.037 0.024 0.000 1.135 194 A CB 0.697 19.712 19.000 0.024 0.000 1.095 194 A HN 0.070 nan 8.150 nan 0.000 0.461 195 D N 0.977 121.391 120.400 0.023 0.000 2.377 195 D HA 0.362 5.001 4.640 -0.001 0.000 0.245 195 D C 0.264 176.582 176.300 0.030 0.000 1.196 195 D CA 0.739 54.753 54.000 0.024 0.000 0.962 195 D CB 0.526 41.336 40.800 0.018 0.000 1.127 195 D HN 0.481 nan 8.370 nan 0.000 0.471 196 E N -0.240 119.979 120.200 0.031 0.000 7.594 196 E HA -0.132 4.217 4.350 -0.001 0.000 0.456 196 E C -2.689 173.943 176.600 0.054 0.000 0.371 196 E CA -0.451 55.971 56.400 0.037 0.000 0.673 196 E CB 0.055 29.774 29.700 0.032 0.000 0.967 196 E HN 0.117 nan 8.360 nan 0.000 0.264 197 P HA 0.224 nan 4.420 nan 0.000 0.283 197 P C -1.094 176.276 177.300 0.117 0.000 1.271 197 P CA -0.316 62.840 63.100 0.094 0.000 0.841 197 P CB 0.806 32.551 31.700 0.075 0.000 1.122 198 E N 1.550 121.863 120.200 0.188 0.000 2.167 198 E HA 0.297 4.647 4.350 -0.001 0.000 0.247 198 E C -0.461 176.306 176.600 0.278 0.000 0.961 198 E CA -0.493 56.025 56.400 0.197 0.000 0.797 198 E CB 0.439 30.247 29.700 0.181 0.000 1.182 198 E HN 0.370 nan 8.360 nan 0.000 0.437 199 L N 4.239 125.573 121.223 0.185 0.000 2.313 199 L HA 0.316 4.656 4.340 -0.001 0.000 0.282 199 L C 0.414 177.394 176.870 0.182 0.000 1.092 199 L CA 0.037 54.987 54.840 0.182 0.000 0.831 199 L CB 0.211 42.337 42.059 0.111 0.000 1.159 199 L HN 0.376 nan 8.230 nan 0.000 0.442 200 R N 2.360 123.007 120.500 0.245 0.000 2.626 200 R HA 0.646 4.986 4.340 -0.001 0.000 0.274 200 R C -1.655 174.772 176.300 0.212 0.000 1.031 200 R CA -0.959 55.262 56.100 0.203 0.000 0.898 200 R CB 1.377 31.792 30.300 0.191 0.000 1.222 200 R HN 0.183 nan 8.270 nan 0.000 0.455 201 V N 3.764 123.772 119.914 0.156 0.000 2.555 201 V HA 0.167 4.287 4.120 -0.001 0.000 0.286 201 V C 0.590 176.781 176.094 0.161 0.000 1.044 201 V CA -0.536 61.853 62.300 0.149 0.000 1.026 201 V CB 0.925 32.821 31.823 0.121 0.000 0.981 201 V HN 0.574 nan 8.190 nan 0.000 0.480 202 L N 5.294 126.625 121.223 0.181 0.000 2.369 202 L HA 0.230 4.569 4.340 -0.001 0.000 0.279 202 L C 0.945 177.894 176.870 0.131 0.000 1.108 202 L CA 0.174 55.123 54.840 0.183 0.000 0.852 202 L CB 0.914 43.099 42.059 0.210 0.000 1.169 202 L HN 0.907 nan 8.230 nan 0.000 0.452 203 S N 0.992 116.732 115.700 0.066 0.000 2.585 203 S HA 0.098 4.568 4.470 -0.001 0.000 0.273 203 S C 1.153 175.680 174.600 -0.122 0.000 1.339 203 S CA -0.602 57.586 58.200 -0.020 0.000 1.028 203 S CB 1.355 64.543 63.200 -0.020 0.000 0.906 203 S HN 0.639 nan 8.310 nan 0.000 0.528 204 T N 1.120 115.494 114.554 -0.299 0.000 2.849 204 T HA -0.122 4.227 4.350 -0.001 0.000 0.270 204 T C 1.546 176.071 174.700 -0.291 0.000 1.066 204 T CA 1.694 63.463 62.100 -0.552 0.000 1.130 204 T CB -0.405 68.084 68.868 -0.632 0.000 0.864 204 T HN 0.848 nan 8.240 nan 0.000 0.481 205 E N 0.901 120.999 120.200 -0.170 0.000 2.107 205 E HA -0.145 4.204 4.350 -0.001 0.000 0.191 205 E C 2.026 178.576 176.600 -0.083 0.000 0.982 205 E CA 0.866 57.202 56.400 -0.107 0.000 0.809 205 E CB 0.082 29.741 29.700 -0.067 0.000 0.756 205 E HN 0.603 nan 8.360 nan 0.000 0.459 206 E N 0.615 120.779 120.200 -0.060 0.000 2.031 206 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 206 E C 2.222 178.784 176.600 -0.063 0.000 0.994 206 E CA 1.140 57.526 56.400 -0.025 0.000 0.800 206 E CB -0.094 29.623 29.700 0.029 0.000 0.752 206 E HN 0.295 nan 8.360 nan 0.000 0.447 207 I N 1.537 122.037 120.570 -0.116 0.000 2.091 207 I HA -0.295 3.875 4.170 -0.001 0.000 0.239 207 I C 2.687 178.482 176.117 -0.536 0.000 1.061 207 I CA 1.287 62.383 61.300 -0.340 0.000 1.317 207 I CB -1.315 36.532 38.000 -0.255 0.000 1.031 207 I HN 0.211 nan 8.210 nan 0.000 0.401 208 L N 0.678 121.701 121.223 -0.333 0.000 2.043 208 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 208 L C 2.397 179.218 176.870 -0.082 0.000 1.075 208 L CA 1.785 56.506 54.840 -0.199 0.000 0.752 208 L CB -0.385 41.609 42.059 -0.108 0.000 0.891 208 L HN 0.339 nan 8.230 nan 0.000 0.432 209 N N -0.181 118.480 118.700 -0.064 0.000 2.409 209 N HA -0.087 4.653 4.740 -0.001 0.000 0.179 209 N C 1.799 177.338 175.510 0.049 0.000 1.032 209 N CA 1.096 54.133 53.050 -0.022 0.000 0.898 209 N CB 0.070 38.548 38.487 -0.014 0.000 0.971 209 N HN 0.442 nan 8.380 nan 0.000 0.441 210 I N -0.131 120.492 120.570 0.088 0.000 2.500 210 I HA -0.153 4.017 4.170 -0.001 0.000 0.252 210 I C 1.399 177.722 176.117 0.344 0.000 1.142 210 I CA 0.448 61.879 61.300 0.218 0.000 1.451 210 I CB -0.100 38.023 38.000 0.207 0.000 1.093 210 I HN -0.044 nan 8.210 nan 0.000 0.430 211 F N 1.519 121.481 119.950 0.019 0.000 2.293 211 F HA -0.099 4.428 4.527 -0.001 0.000 0.300 211 F C 2.223 177.979 175.800 -0.074 0.000 1.086 211 F CA 1.021 58.994 58.000 -0.044 0.000 1.375 211 F CB -0.751 38.192 39.000 -0.096 0.000 1.045 211 F HN 0.004 nan 8.300 nan 0.000 0.516 212 K N -1.158 119.304 120.400 0.103 0.000 2.432 212 K HA -0.076 4.244 4.320 -0.001 0.000 0.196 212 K C 1.193 177.745 176.600 -0.080 0.000 1.038 212 K CA 0.554 56.816 56.287 -0.041 0.000 0.986 212 K CB -0.077 32.351 32.500 -0.120 0.000 0.782 212 K HN 0.266 nan 8.250 nan 0.000 0.485 213 H N 0.001 119.116 119.070 0.076 0.000 2.551 213 H HA 0.204 4.759 4.556 -0.001 0.000 0.271 213 H C 0.220 175.582 175.328 0.056 0.000 0.984 213 H CA 0.035 56.117 56.048 0.058 0.000 1.164 213 H CB 0.272 30.066 29.762 0.052 0.000 1.437 213 H HN 0.033 nan 8.280 nan 0.000 0.550 214 I N 2.638 123.308 120.570 0.167 0.000 2.396 214 I HA -0.023 4.147 4.170 -0.001 0.000 0.289 214 I C 0.922 177.079 176.117 0.068 0.000 1.056 214 I CA -0.281 61.083 61.300 0.107 0.000 1.365 214 I CB 0.857 38.905 38.000 0.079 0.000 1.407 214 I HN 0.096 nan 8.210 nan 0.000 0.509 215 S N 5.169 120.842 115.700 -0.045 0.000 2.580 215 S HA 0.096 4.565 4.470 -0.001 0.000 0.266 215 S C 1.201 175.447 174.600 -0.591 0.000 1.354 215 S CA -0.887 57.208 58.200 -0.175 0.000 1.008 215 S CB 1.248 64.364 63.200 -0.141 0.000 0.898 215 S HN 0.406 nan 8.310 nan 0.000 0.555 216 V N 1.807 121.328 119.914 -0.656 0.000 2.358 216 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 216 V C 2.612 178.135 176.094 -0.952 0.000 1.047 216 V CA 1.909 63.479 62.300 -1.217 0.000 1.035 216 V CB -1.058 30.492 31.823 -0.455 0.000 0.658 216 V HN 0.864 nan 8.190 nan 0.000 0.452 217 K N -0.097 120.023 120.400 -0.467 0.000 2.147 217 K HA -0.192 4.128 4.320 -0.001 0.000 0.205 217 K C 1.847 178.300 176.600 -0.245 0.000 1.049 217 K CA 1.692 57.815 56.287 -0.273 0.000 0.936 217 K CB -0.227 32.176 32.500 -0.160 0.000 0.722 217 K HN 0.474 nan 8.250 nan 0.000 0.446 218 D N 0.453 120.678 120.400 -0.292 0.000 2.085 218 D HA -0.111 4.528 4.640 -0.001 0.000 0.199 218 D C 1.648 177.915 176.300 -0.056 0.000 0.981 218 D CA 0.979 54.893 54.000 -0.142 0.000 0.834 218 D CB -0.248 40.497 40.800 -0.092 0.000 0.992 218 D HN 0.240 nan 8.370 nan 0.000 0.457 219 F N 0.268 120.202 119.950 -0.026 0.000 2.699 219 F HA 0.159 4.685 4.527 -0.001 0.000 0.298 219 F C 1.781 177.666 175.800 0.143 0.000 1.154 219 F CA 0.537 58.538 58.000 0.001 0.000 1.457 219 F CB -1.239 37.615 39.000 -0.242 0.000 1.106 219 F HN -0.250 nan 8.300 nan 0.000 0.585 220 T N -1.164 113.485 114.554 0.157 0.000 3.035 220 T HA -0.083 4.267 4.350 -0.001 0.000 0.259 220 T C 2.079 176.859 174.700 0.133 0.000 1.078 220 T CA 1.168 63.383 62.100 0.191 0.000 1.132 220 T CB -0.253 68.628 68.868 0.023 0.000 0.900 220 T HN 0.386 nan 8.240 nan 0.000 0.480 221 S N 0.410 116.165 115.700 0.093 0.000 2.419 221 S HA 0.118 4.588 4.470 -0.001 0.000 0.233 221 S C 0.800 175.507 174.600 0.179 0.000 1.016 221 S CA 0.608 58.866 58.200 0.096 0.000 0.974 221 S CB -0.365 62.874 63.200 0.065 0.000 0.786 221 S HN 0.327 nan 8.310 nan 0.000 0.492 222 L N -1.005 120.383 121.223 0.275 0.000 2.472 222 L HA 0.466 4.806 4.340 -0.001 0.000 0.256 222 L C 1.737 178.696 176.870 0.150 0.000 1.111 222 L CA -0.360 54.708 54.840 0.380 0.000 0.800 222 L CB 0.111 42.538 42.059 0.613 0.000 1.286 222 L HN 0.069 nan 8.230 nan 0.000 0.479 223 G N -0.404 108.292 108.800 -0.172 0.000 3.094 223 G HA2 0.082 4.042 3.960 -0.001 0.000 0.208 223 G HA3 0.082 4.042 3.960 -0.001 0.000 0.208 223 G C 0.053 174.714 174.900 -0.397 0.000 1.189 223 G CA -0.157 44.760 45.100 -0.305 0.000 0.856 223 G HN 0.160 nan 8.290 nan 0.000 0.510 224 F N 0.196 120.130 119.950 -0.026 0.000 2.375 224 F HA 0.313 4.840 4.527 -0.001 0.000 0.333 224 F C 0.623 176.460 175.800 0.061 0.000 1.104 224 F CA -1.046 56.921 58.000 -0.056 0.000 1.149 224 F CB 1.005 39.877 39.000 -0.214 0.000 1.190 224 F HN -0.059 nan 8.300 nan 0.000 0.533 225 N N 1.944 120.743 118.700 0.165 0.000 2.372 225 N HA 0.072 4.812 4.740 -0.001 0.000 0.285 225 N C 0.506 176.044 175.510 0.047 0.000 1.008 225 N CA -0.311 52.841 53.050 0.171 0.000 0.880 225 N CB 1.416 40.043 38.487 0.233 0.000 1.239 225 N HN 0.855 nan 8.380 nan 0.000 0.484 226 E N 1.928 122.223 120.200 0.159 0.000 2.396 226 E HA -0.093 4.256 4.350 -0.001 0.000 0.200 226 E C 0.522 177.098 176.600 -0.040 0.000 1.023 226 E CA 1.019 57.473 56.400 0.090 0.000 0.857 226 E CB 0.180 30.017 29.700 0.229 0.000 0.775 226 E HN 0.336 nan 8.360 nan 0.000 0.525 227 V N -0.973 118.863 119.914 -0.130 0.000 3.151 227 V HA 0.084 4.203 4.120 -0.001 0.000 0.241 227 V C 1.268 177.248 176.094 -0.190 0.000 1.173 227 V CA 0.594 62.716 62.300 -0.297 0.000 1.154 227 V CB -0.198 31.169 31.823 -0.760 0.000 0.898 227 V HN 0.262 nan 8.190 nan 0.000 0.473 228 F N 0.839 120.931 119.950 0.236 0.000 2.653 228 F HA 0.262 4.789 4.527 -0.001 0.000 0.288 228 F C 0.969 177.027 175.800 0.430 0.000 1.121 228 F CA 0.460 58.614 58.000 0.257 0.000 1.384 228 F CB 0.455 39.526 39.000 0.118 0.000 1.115 228 F HN 0.150 nan 8.300 nan 0.000 0.599 229 S N 0.551 116.525 115.700 0.457 0.000 2.496 229 S HA 0.518 4.988 4.470 -0.001 0.000 0.221 229 S C -0.768 173.758 174.600 -0.123 0.000 1.260 229 S CA -0.803 57.595 58.200 0.330 0.000 1.181 229 S CB 0.916 64.244 63.200 0.214 0.000 1.136 229 S HN 0.084 nan 8.310 nan 0.000 0.467 230 R N 2.465 122.448 120.500 -0.863 0.000 2.428 230 R HA 0.433 4.772 4.340 -0.001 0.000 0.294 230 R C -1.930 173.758 176.300 -1.020 0.000 1.000 230 R CA -2.330 52.909 56.100 -1.435 0.000 0.960 230 R CB 0.742 29.676 30.300 -2.277 0.000 1.076 230 R HN 0.282 nan 8.270 nan 0.000 0.475 231 P HA -0.324 nan 4.420 nan 0.000 0.216 231 P C 0.883 177.953 177.300 -0.383 0.000 1.167 231 P CA 1.523 63.903 63.100 -1.200 0.000 0.914 231 P CB 0.092 30.940 31.700 -1.420 0.000 0.793 232 E N -0.954 119.088 120.200 -0.263 0.000 2.208 232 E HA -0.241 4.109 4.350 -0.001 0.000 0.202 232 E C 1.495 178.185 176.600 0.150 0.000 1.014 232 E CA 1.443 57.872 56.400 0.048 0.000 0.819 232 E CB -1.486 28.191 29.700 -0.039 0.000 0.735 232 E HN 0.371 nan 8.360 nan 0.000 0.469 233 W N 0.730 122.002 121.300 -0.047 0.000 2.721 233 W HA 0.124 4.783 4.660 -0.001 0.000 0.245 233 W C 2.006 178.499 176.519 -0.044 0.000 1.276 233 W CA 0.284 57.612 57.345 -0.028 0.000 1.342 233 W CB -0.754 28.683 29.460 -0.038 0.000 1.135 233 W HN 0.131 nan 8.180 nan 0.000 0.654 234 M N -0.567 119.095 119.600 0.102 0.000 2.562 234 M HA 0.048 4.527 4.480 -0.001 0.000 0.257 234 M C 0.418 176.852 176.300 0.223 0.000 1.099 234 M CA 0.995 56.265 55.300 -0.050 0.000 1.099 234 M CB -0.079 32.420 32.600 -0.169 0.000 1.427 234 M HN -0.316 nan 8.290 nan 0.000 0.489 235 I N 1.776 122.492 120.570 0.243 0.000 2.312 235 I HA 0.249 4.419 4.170 -0.001 0.000 0.290 235 I C -0.510 175.719 176.117 0.186 0.000 1.008 235 I CA -0.587 60.854 61.300 0.235 0.000 1.226 235 I CB 1.149 39.240 38.000 0.151 0.000 1.371 235 I HN 0.046 nan 8.210 nan 0.000 0.468 236 L N 6.314 127.639 121.223 0.170 0.000 2.331 236 L HA 0.324 4.663 4.340 -0.001 0.000 0.278 236 L C 0.791 177.700 176.870 0.065 0.000 1.106 236 L CA 0.064 54.975 54.840 0.119 0.000 0.824 236 L CB 0.908 43.029 42.059 0.103 0.000 1.142 236 L HN 0.651 nan 8.230 nan 0.000 0.443 237 T N -0.122 114.464 114.554 0.053 0.000 2.980 237 T HA 0.046 4.396 4.350 -0.001 0.000 0.252 237 T C -0.100 174.611 174.700 0.019 0.000 0.962 237 T CA 0.057 62.174 62.100 0.029 0.000 0.932 237 T CB 0.412 69.301 68.868 0.035 0.000 1.188 237 T HN 0.650 nan 8.240 nan 0.000 0.500 238 C N 2.767 122.082 119.300 0.024 0.000 2.407 238 C HA 0.711 5.171 4.460 -0.001 0.000 0.328 238 C C -0.552 174.445 174.990 0.012 0.000 1.137 238 C CA -1.259 57.775 59.018 0.027 0.000 1.390 238 C CB -1.016 26.751 27.740 0.045 0.000 1.989 238 C HN 0.542 nan 8.230 nan 0.000 0.432 239 L N 8.756 129.987 121.223 0.014 0.000 2.305 239 L HA 0.546 4.885 4.340 -0.001 0.000 0.281 239 L C -1.827 175.066 176.870 0.038 0.000 1.085 239 L CA -1.321 53.536 54.840 0.028 0.000 0.813 239 L CB 1.872 43.948 42.059 0.028 0.000 1.157 239 L HN 0.547 nan 8.230 nan 0.000 0.436 240 P HA 0.090 nan 4.420 nan 0.000 0.287 240 P C -0.897 176.550 177.300 0.244 0.000 1.281 240 P CA -0.285 62.873 63.100 0.097 0.000 0.781 240 P CB 1.499 33.160 31.700 -0.064 0.000 0.903 241 V N 6.807 126.845 119.914 0.207 0.000 2.353 241 V HA 0.172 4.291 4.120 -0.001 0.000 0.264 241 V C -1.629 174.439 176.094 -0.044 0.000 1.049 241 V CA -1.835 60.521 62.300 0.093 0.000 0.896 241 V CB 0.629 32.460 31.823 0.014 0.000 1.025 241 V HN 0.549 nan 8.190 nan 0.000 0.475 242 P HA 0.164 nan 4.420 nan 0.000 0.267 242 P C -2.452 174.543 177.300 -0.508 0.000 1.205 242 P CA -1.170 61.554 63.100 -0.626 0.000 0.765 242 P CB 0.458 32.073 31.700 -0.142 0.000 0.828 243 P HA 0.040 nan 4.420 nan 0.000 0.271 243 P C -1.630 175.541 177.300 -0.214 0.000 1.244 243 P CA -1.252 61.644 63.100 -0.340 0.000 0.793 243 P CB -0.506 31.000 31.700 -0.325 0.000 0.984 244 P HA -0.122 nan 4.420 nan 0.000 0.216 244 P C -0.916 176.330 177.300 -0.089 0.000 1.150 244 P CA 2.651 65.696 63.100 -0.092 0.000 0.843 244 P CB -1.997 29.664 31.700 -0.065 0.000 0.787 245 P HA -0.101 nan 4.420 nan 0.000 0.218 245 P C 1.822 179.082 177.300 -0.067 0.000 1.148 245 P CA 1.117 64.169 63.100 -0.080 0.000 0.822 245 P CB -0.420 31.229 31.700 -0.085 0.000 0.784 246 V N 0.939 120.802 119.914 -0.084 0.000 2.255 246 V HA -0.135 3.984 4.120 -0.001 0.000 0.243 246 V C 1.327 177.394 176.094 -0.044 0.000 1.038 246 V CA 1.763 64.030 62.300 -0.054 0.000 1.008 246 V CB -1.239 30.543 31.823 -0.069 0.000 0.645 246 V HN 0.218 nan 8.190 nan 0.000 0.449 247 R N 1.667 122.134 120.500 -0.055 0.000 2.278 247 R HA 0.432 4.772 4.340 -0.001 0.000 0.322 247 R C -2.542 173.721 176.300 -0.061 0.000 1.058 247 R CA -1.879 54.191 56.100 -0.049 0.000 0.991 247 R CB 0.105 30.386 30.300 -0.032 0.000 1.140 247 R HN 0.248 nan 8.270 nan 0.000 0.518 248 P HA 0.069 nan 4.420 nan 0.000 0.327 248 P C -0.746 176.520 177.300 -0.057 0.000 1.342 248 P CA -0.415 62.652 63.100 -0.055 0.000 0.761 248 P CB 0.423 32.093 31.700 -0.050 0.000 1.675 249 S N -2.110 113.565 115.700 -0.042 0.000 2.325 249 S HA 0.311 4.781 4.470 -0.001 0.000 0.228 249 S C -0.227 174.372 174.600 -0.001 0.000 0.942 249 S CA -0.733 57.451 58.200 -0.026 0.000 1.070 249 S CB -1.251 61.948 63.200 -0.003 0.000 1.232 249 S HN 0.221 nan 8.310 nan 0.000 0.405 250 I N 3.780 124.357 120.570 0.011 0.000 2.624 250 I HA 0.110 4.280 4.170 -0.001 0.000 0.307 250 I C 0.602 176.798 176.117 0.131 0.000 1.191 250 I CA 0.310 61.645 61.300 0.058 0.000 1.708 250 I CB -0.632 37.421 38.000 0.088 0.000 1.521 250 I HN 0.725 nan 8.210 nan 0.000 0.805 251 S N 5.164 120.923 115.700 0.100 0.000 2.596 251 S HA 0.495 4.965 4.470 -0.001 0.000 0.318 251 S C -0.528 174.165 174.600 0.154 0.000 1.097 251 S CA -0.764 57.527 58.200 0.152 0.000 1.080 251 S CB 0.897 64.149 63.200 0.087 0.000 0.991 251 S HN 0.226 nan 8.310 nan 0.000 0.471 252 F N 4.446 124.400 119.950 0.006 0.000 2.487 252 F HA 0.323 4.850 4.527 -0.001 0.000 0.364 252 F C 1.619 177.422 175.800 0.004 0.000 1.126 252 F CA 0.154 58.157 58.000 0.004 0.000 1.135 252 F CB -0.816 38.186 39.000 0.004 0.000 1.127 252 F HN 0.821 nan 8.300 nan 0.000 0.559 253 N N 1.690 120.420 118.700 0.050 0.000 2.869 253 N HA -0.304 4.436 4.740 -0.001 0.000 0.185 253 N C 0.267 175.804 175.510 0.045 0.000 0.446 253 N CA 2.022 55.095 53.050 0.038 0.000 1.773 253 N CB -0.530 37.994 38.487 0.061 0.000 1.411 253 N HN 0.612 nan 8.380 nan 0.000 0.389 254 E N -0.603 119.632 120.200 0.059 0.000 2.458 254 E HA 0.466 4.816 4.350 -0.001 0.000 0.250 254 E C 0.778 177.410 176.600 0.053 0.000 0.883 254 E CA 0.123 56.551 56.400 0.047 0.000 0.868 254 E CB 1.680 31.399 29.700 0.032 0.000 1.593 254 E HN 0.621 nan 8.360 nan 0.000 0.410 255 S N -0.745 114.978 115.700 0.039 0.000 1.797 255 S HA -0.387 4.083 4.470 -0.001 0.000 0.222 255 S C 0.439 175.062 174.600 0.038 0.000 0.922 255 S CA 1.814 60.034 58.200 0.033 0.000 1.575 255 S CB -1.543 61.675 63.200 0.029 0.000 2.104 255 S HN 0.558 nan 8.310 nan 0.000 0.544 256 Q N 2.762 122.594 119.800 0.052 0.000 2.364 256 Q HA 0.485 4.824 4.340 -0.001 0.000 0.267 256 Q C 1.352 177.392 176.000 0.066 0.000 0.999 256 Q CA -0.168 55.670 55.803 0.058 0.000 0.886 256 Q CB 0.526 29.309 28.738 0.076 0.000 1.243 256 Q HN 0.610 nan 8.270 nan 0.000 0.415 257 R N 1.288 121.828 120.500 0.066 0.000 1.841 257 R HA 0.258 4.598 4.340 -0.001 0.000 0.157 257 R C 0.203 176.566 176.300 0.105 0.000 1.339 257 R CA 0.274 56.421 56.100 0.078 0.000 1.482 257 R CB -0.525 29.820 30.300 0.075 0.000 0.808 257 R HN 0.876 nan 8.270 nan 0.000 0.551 258 G N 1.897 110.785 108.800 0.146 0.000 3.144 258 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.247 258 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.247 258 G C -0.951 174.023 174.900 0.123 0.000 0.899 258 G CA -0.144 45.056 45.100 0.168 0.000 0.822 258 G HN 0.375 nan 8.290 nan 0.000 0.362 259 E N 1.235 121.517 120.200 0.136 0.000 2.288 259 E HA 0.341 4.691 4.350 -0.001 0.000 0.268 259 E C 0.009 176.378 176.600 -0.385 0.000 0.885 259 E CA -1.015 55.375 56.400 -0.016 0.000 0.767 259 E CB 1.676 31.463 29.700 0.144 0.000 1.220 259 E HN 0.517 nan 8.360 nan 0.000 0.427 260 D N 1.591 121.822 120.400 -0.281 0.000 2.601 260 D HA -0.126 4.514 4.640 -0.001 0.000 0.229 260 D C 0.164 176.118 176.300 -0.576 0.000 1.140 260 D CA 0.484 54.286 54.000 -0.331 0.000 0.862 260 D CB 0.743 41.445 40.800 -0.162 0.000 1.192 260 D HN 0.450 nan 8.370 nan 0.000 0.480 261 D N 3.064 123.181 120.400 -0.472 0.000 2.354 261 D HA -0.127 4.513 4.640 -0.001 0.000 0.216 261 D C 1.704 177.922 176.300 -0.137 0.000 0.970 261 D CA 0.529 54.292 54.000 -0.396 0.000 0.905 261 D CB 0.307 41.010 40.800 -0.162 0.000 0.903 261 D HN 0.474 nan 8.370 nan 0.000 0.508 262 L N 0.239 121.419 121.223 -0.072 0.000 2.446 262 L HA -0.022 4.318 4.340 -0.001 0.000 0.219 262 L C 2.119 179.031 176.870 0.070 0.000 1.116 262 L CA 0.610 55.514 54.840 0.106 0.000 0.844 262 L CB 0.003 42.164 42.059 0.170 0.000 0.970 262 L HN -0.049 nan 8.230 nan 0.000 0.457 263 T N -0.726 113.823 114.554 -0.008 0.000 2.978 263 T HA -0.035 4.315 4.350 -0.001 0.000 0.262 263 T C 1.702 176.529 174.700 0.212 0.000 1.063 263 T CA 0.836 62.968 62.100 0.054 0.000 1.140 263 T CB -0.151 68.749 68.868 0.052 0.000 0.886 263 T HN 0.192 nan 8.240 nan 0.000 0.470 264 F N 1.308 121.262 119.950 0.007 0.000 2.171 264 F HA -0.072 4.454 4.527 -0.001 0.000 0.300 264 F C 2.582 178.387 175.800 0.009 0.000 1.090 264 F CA 0.493 58.500 58.000 0.011 0.000 1.293 264 F CB -0.061 38.957 39.000 0.029 0.000 1.013 264 F HN 0.070 nan 8.300 nan 0.000 0.486 265 K N 1.346 121.873 120.400 0.211 0.000 2.062 265 K HA -0.086 4.233 4.320 -0.001 0.000 0.205 265 K C 1.796 178.374 176.600 -0.037 0.000 1.051 265 K CA 1.095 57.454 56.287 0.121 0.000 0.941 265 K CB -0.569 32.030 32.500 0.165 0.000 0.719 265 K HN 0.188 nan 8.250 nan 0.000 0.440 266 L N 0.034 121.165 121.223 -0.154 0.000 2.127 266 L HA -0.161 4.178 4.340 -0.001 0.000 0.211 266 L C 2.369 179.174 176.870 -0.108 0.000 1.089 266 L CA 1.194 55.888 54.840 -0.243 0.000 0.757 266 L CB -0.614 41.311 42.059 -0.224 0.000 0.899 266 L HN 0.247 nan 8.230 nan 0.000 0.434 267 A N -0.124 122.680 122.820 -0.026 0.000 1.845 267 A HA -0.232 4.087 4.320 -0.001 0.000 0.215 267 A C 2.038 179.590 177.584 -0.054 0.000 1.195 267 A CA 1.891 53.916 52.037 -0.019 0.000 0.616 267 A CB -0.583 18.423 19.000 0.009 0.000 0.832 267 A HN 0.328 nan 8.150 nan 0.000 0.443 268 D N -0.143 120.233 120.400 -0.041 0.000 2.178 268 D HA -0.114 4.526 4.640 -0.001 0.000 0.201 268 D C 1.925 178.070 176.300 -0.258 0.000 0.980 268 D CA 1.088 55.009 54.000 -0.131 0.000 0.842 268 D CB -0.220 40.574 40.800 -0.010 0.000 0.948 268 D HN 0.513 nan 8.370 nan 0.000 0.472 269 I N 0.442 120.931 120.570 -0.134 0.000 2.142 269 I HA -0.267 3.903 4.170 -0.001 0.000 0.240 269 I C 2.418 178.463 176.117 -0.120 0.000 1.078 269 I CA 0.558 61.791 61.300 -0.111 0.000 1.343 269 I CB -0.150 37.793 38.000 -0.096 0.000 1.046 269 I HN 0.029 nan 8.210 nan 0.000 0.405 270 L N 1.044 122.203 121.223 -0.107 0.000 2.046 270 L HA -0.212 4.128 4.340 -0.001 0.000 0.208 270 L C 2.400 179.222 176.870 -0.080 0.000 1.077 270 L CA 1.857 56.646 54.840 -0.086 0.000 0.747 270 L CB -0.695 41.323 42.059 -0.068 0.000 0.896 270 L HN 0.096 nan 8.230 nan 0.000 0.432 271 K N -0.680 119.664 120.400 -0.094 0.000 1.987 271 K HA -0.215 4.105 4.320 -0.001 0.000 0.216 271 K C 2.067 178.610 176.600 -0.095 0.000 1.051 271 K CA 1.748 57.982 56.287 -0.088 0.000 0.942 271 K CB -0.659 31.776 32.500 -0.108 0.000 0.722 271 K HN 0.436 nan 8.250 nan 0.000 0.444 272 A N 1.750 124.483 122.820 -0.146 0.000 1.927 272 A HA -0.294 4.025 4.320 -0.001 0.000 0.220 272 A C 1.955 179.499 177.584 -0.067 0.000 1.185 272 A CA 2.295 54.264 52.037 -0.113 0.000 0.639 272 A CB -0.900 18.010 19.000 -0.150 0.000 0.820 272 A HN 0.411 nan 8.150 nan 0.000 0.451 273 N N -0.313 118.346 118.700 -0.069 0.000 2.223 273 N HA -0.089 4.650 4.740 -0.001 0.000 0.185 273 N C 1.427 176.910 175.510 -0.045 0.000 1.016 273 N CA 1.699 54.718 53.050 -0.052 0.000 0.863 273 N CB -0.315 38.136 38.487 -0.060 0.000 0.983 273 N HN 0.580 nan 8.380 nan 0.000 0.429 274 I N -0.547 119.997 120.570 -0.044 0.000 2.333 274 I HA -0.158 4.011 4.170 -0.001 0.000 0.246 274 I C 1.941 178.045 176.117 -0.021 0.000 1.106 274 I CA 0.909 62.191 61.300 -0.029 0.000 1.411 274 I CB -0.315 37.675 38.000 -0.017 0.000 1.082 274 I HN 0.216 nan 8.210 nan 0.000 0.420 275 S N 0.817 116.501 115.700 -0.027 0.000 2.515 275 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 275 S C 1.781 176.372 174.600 -0.016 0.000 0.987 275 S CA 0.493 58.682 58.200 -0.019 0.000 0.936 275 S CB -0.310 62.875 63.200 -0.026 0.000 0.766 275 S HN 0.379 nan 8.310 nan 0.000 0.528 276 L N 1.128 122.339 121.223 -0.020 0.000 2.354 276 L HA 0.345 4.685 4.340 -0.001 0.000 0.212 276 L C 2.106 178.970 176.870 -0.009 0.000 1.091 276 L CA 1.321 56.151 54.840 -0.017 0.000 0.828 276 L CB -0.275 41.771 42.059 -0.021 0.000 0.973 276 L HN 0.204 nan 8.230 nan 0.000 0.461 277 E N -1.268 118.926 120.200 -0.010 0.000 2.250 277 E HA -0.004 4.346 4.350 -0.001 0.000 0.192 277 E C 0.560 177.177 176.600 0.028 0.000 0.986 277 E CA 0.941 57.339 56.400 -0.003 0.000 0.849 277 E CB 0.096 29.779 29.700 -0.028 0.000 0.797 277 E HN 0.368 nan 8.360 nan 0.000 0.482 278 T N 1.182 115.752 114.554 0.027 0.000 3.500 278 T HA 0.208 4.557 4.350 -0.001 0.000 0.244 278 T C 1.058 175.789 174.700 0.051 0.000 0.962 278 T CA 0.299 62.436 62.100 0.061 0.000 0.932 278 T CB -0.021 68.871 68.868 0.040 0.000 1.096 278 T HN 0.061 nan 8.240 nan 0.000 0.617 279 L N -0.896 120.353 121.223 0.043 0.000 2.753 279 L HA 0.272 4.612 4.340 -0.001 0.000 0.238 279 L C 1.944 178.823 176.870 0.014 0.000 1.028 279 L CA 0.105 54.953 54.840 0.014 0.000 0.966 279 L CB 0.399 42.455 42.059 -0.005 0.000 1.681 279 L HN 0.142 nan 8.230 nan 0.000 0.511 280 E N -0.431 119.788 120.200 0.033 0.000 2.482 280 E HA -0.159 4.191 4.350 -0.001 0.000 0.196 280 E C 1.382 178.025 176.600 0.072 0.000 1.047 280 E CA 0.584 57.004 56.400 0.033 0.000 0.869 280 E CB 0.238 29.955 29.700 0.029 0.000 0.836 280 E HN 0.412 nan 8.360 nan 0.000 0.520 281 H N 0.807 119.867 119.070 -0.018 0.000 2.388 281 H HA 0.161 4.716 4.556 -0.001 0.000 0.304 281 H C 1.301 176.619 175.328 -0.015 0.000 1.049 281 H CA 0.842 56.882 56.048 -0.014 0.000 1.371 281 H CB 0.387 30.142 29.762 -0.013 0.000 1.436 281 H HN -0.079 nan 8.280 nan 0.000 0.544 282 N N 0.874 119.513 118.700 -0.101 0.000 2.313 282 N HA 0.158 4.898 4.740 -0.001 0.000 0.207 282 N C -0.154 175.298 175.510 -0.097 0.000 1.141 282 N CA 0.808 53.764 53.050 -0.158 0.000 0.830 282 N CB 0.448 38.892 38.487 -0.071 0.000 1.008 282 N HN 0.580 nan 8.380 nan 0.000 0.481 283 G N 0.576 109.330 108.800 -0.076 0.000 2.825 283 G HA2 0.092 4.052 3.960 -0.001 0.000 0.686 283 G HA3 0.092 4.052 3.960 -0.001 0.000 0.686 283 G C -0.754 174.107 174.900 -0.064 0.000 1.362 283 G CA -0.266 44.795 45.100 -0.066 0.000 0.975 283 G HN 0.502 nan 8.290 nan 0.000 0.594 284 A N 3.472 126.243 122.820 -0.082 0.000 2.612 284 A HA 0.942 5.262 4.320 -0.001 0.000 0.293 284 A C -2.559 174.930 177.584 -0.159 0.000 1.075 284 A CA -0.670 51.313 52.037 -0.089 0.000 0.680 284 A CB 1.070 20.036 19.000 -0.056 0.000 1.279 284 A HN 0.954 nan 8.150 nan 0.000 0.411 285 P HA 0.244 nan 4.420 nan 0.000 0.270 285 P C 0.438 177.626 177.300 -0.187 0.000 1.223 285 P CA -0.163 62.816 63.100 -0.201 0.000 0.785 285 P CB 0.301 31.967 31.700 -0.057 0.000 0.923 286 H N 0.218 119.317 119.070 0.047 0.000 2.353 286 H HA -0.146 4.410 4.556 -0.001 0.000 0.300 286 H C 1.652 177.027 175.328 0.077 0.000 1.090 286 H CA 1.848 57.927 56.048 0.052 0.000 1.327 286 H CB -0.509 29.285 29.762 0.054 0.000 1.383 286 H HN 0.596 nan 8.280 nan 0.000 0.508 287 H N 0.851 119.990 119.070 0.115 0.000 2.502 287 H HA 0.173 4.729 4.556 -0.001 0.000 0.283 287 H C 2.135 177.483 175.328 0.034 0.000 1.015 287 H CA 0.914 57.002 56.048 0.067 0.000 1.298 287 H CB 0.101 29.897 29.762 0.057 0.000 1.411 287 H HN 0.319 nan 8.280 nan 0.000 0.556 288 A N 0.601 123.428 122.820 0.013 0.000 1.873 288 A HA -0.095 4.224 4.320 -0.001 0.000 0.215 288 A C 2.408 179.947 177.584 -0.076 0.000 1.186 288 A CA 1.529 53.540 52.037 -0.044 0.000 0.616 288 A CB -0.725 18.264 19.000 -0.017 0.000 0.823 288 A HN 0.470 nan 8.150 nan 0.000 0.442 289 I N -0.347 120.193 120.570 -0.050 0.000 2.226 289 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 289 I C 2.273 178.353 176.117 -0.061 0.000 1.100 289 I CA 1.485 62.760 61.300 -0.042 0.000 1.374 289 I CB -0.469 37.520 38.000 -0.018 0.000 1.057 289 I HN 0.425 nan 8.210 nan 0.000 0.413 290 E N 0.270 120.419 120.200 -0.085 0.000 2.396 290 E HA -0.266 4.083 4.350 -0.001 0.000 0.200 290 E C 1.800 178.310 176.600 -0.149 0.000 1.023 290 E CA 0.810 57.147 56.400 -0.105 0.000 0.857 290 E CB 0.036 29.672 29.700 -0.107 0.000 0.775 290 E HN 0.397 nan 8.360 nan 0.000 0.525 291 E N 0.693 120.782 120.200 -0.184 0.000 2.033 291 E HA -0.065 4.285 4.350 -0.001 0.000 0.189 291 E C 1.929 178.493 176.600 -0.060 0.000 0.979 291 E CA 1.159 57.471 56.400 -0.147 0.000 0.802 291 E CB -0.146 29.468 29.700 -0.143 0.000 0.763 291 E HN 0.194 nan 8.360 nan 0.000 0.449 292 A N 0.899 123.692 122.820 -0.045 0.000 1.933 292 A HA -0.226 4.094 4.320 -0.001 0.000 0.218 292 A C 2.049 179.633 177.584 0.001 0.000 1.175 292 A CA 1.704 53.732 52.037 -0.016 0.000 0.628 292 A CB -0.613 18.374 19.000 -0.022 0.000 0.814 292 A HN 0.314 nan 8.150 nan 0.000 0.444 293 E N 0.171 120.362 120.200 -0.014 0.000 2.033 293 E HA -0.219 4.131 4.350 -0.001 0.000 0.199 293 E C 2.474 179.089 176.600 0.025 0.000 1.011 293 E CA 1.934 58.330 56.400 -0.006 0.000 0.815 293 E CB -0.266 29.419 29.700 -0.025 0.000 0.755 293 E HN 0.807 nan 8.360 nan 0.000 0.451 294 S N 1.006 116.720 115.700 0.024 0.000 2.399 294 S HA -0.170 4.300 4.470 -0.001 0.000 0.231 294 S C 2.090 176.767 174.600 0.128 0.000 1.022 294 S CA 0.946 59.183 58.200 0.062 0.000 0.983 294 S CB -0.360 62.857 63.200 0.028 0.000 0.803 294 S HN 0.180 nan 8.310 nan 0.000 0.480 295 L N 0.985 122.277 121.223 0.116 0.000 1.994 295 L HA 0.073 4.412 4.340 -0.001 0.000 0.208 295 L C 2.334 179.400 176.870 0.327 0.000 1.071 295 L CA 1.628 56.600 54.840 0.219 0.000 0.745 295 L CB -0.993 41.150 42.059 0.140 0.000 0.892 295 L HN 0.372 nan 8.230 nan 0.000 0.431 296 L N -0.250 121.077 121.223 0.174 0.000 1.971 296 L HA -0.282 4.057 4.340 -0.001 0.000 0.215 296 L C 2.663 179.648 176.870 0.191 0.000 1.072 296 L CA 2.381 57.304 54.840 0.139 0.000 0.758 296 L CB -1.077 41.014 42.059 0.053 0.000 0.889 296 L HN 0.601 nan 8.230 nan 0.000 0.433 297 Q N -1.009 118.890 119.800 0.164 0.000 2.096 297 Q HA -0.323 4.017 4.340 -0.001 0.000 0.208 297 Q C 2.148 178.287 176.000 0.231 0.000 0.993 297 Q CA 2.537 58.444 55.803 0.172 0.000 0.862 297 Q CB -0.893 27.940 28.738 0.159 0.000 0.915 297 Q HN 0.506 nan 8.270 nan 0.000 0.416 298 F N -0.019 119.996 119.950 0.109 0.000 2.161 298 F HA -0.186 4.341 4.527 -0.001 0.000 0.300 298 F C 1.750 177.558 175.800 0.014 0.000 1.089 298 F CA 2.214 60.247 58.000 0.056 0.000 1.282 298 F CB -0.434 38.580 39.000 0.024 0.000 1.010 298 F HN 0.308 nan 8.300 nan 0.000 0.485 299 H N -1.599 117.504 119.070 0.056 0.000 2.403 299 H HA -0.008 4.548 4.556 -0.001 0.000 0.298 299 H C 2.302 177.633 175.328 0.006 0.000 1.059 299 H CA 1.601 57.633 56.048 -0.026 0.000 1.363 299 H CB -0.364 29.419 29.762 0.034 0.000 1.410 299 H HN 0.116 nan 8.280 nan 0.000 0.528 300 V N 0.397 120.405 119.914 0.156 0.000 2.548 300 V HA -0.181 3.939 4.120 -0.001 0.000 0.249 300 V C 2.421 178.584 176.094 0.115 0.000 1.055 300 V CA 1.470 63.854 62.300 0.141 0.000 1.065 300 V CB -0.770 31.117 31.823 0.107 0.000 0.681 300 V HN 0.545 nan 8.190 nan 0.000 0.462 301 A N -0.126 122.730 122.820 0.060 0.000 1.854 301 A HA -0.162 4.157 4.320 -0.001 0.000 0.214 301 A C 2.406 179.964 177.584 -0.043 0.000 1.192 301 A CA 2.207 54.262 52.037 0.031 0.000 0.611 301 A CB -0.995 18.039 19.000 0.057 0.000 0.832 301 A HN 0.444 nan 8.150 nan 0.000 0.442 302 T N -1.093 113.348 114.554 -0.189 0.000 2.759 302 T HA -0.178 4.172 4.350 -0.001 0.000 0.269 302 T C 1.753 176.423 174.700 -0.049 0.000 1.042 302 T CA 1.712 63.671 62.100 -0.234 0.000 1.140 302 T CB -0.450 68.111 68.868 -0.513 0.000 0.864 302 T HN 0.541 nan 8.240 nan 0.000 0.455 303 Y N 1.984 122.227 120.300 -0.095 0.000 2.070 303 Y HA -0.162 4.387 4.550 -0.001 0.000 0.280 303 Y C 2.223 178.121 175.900 -0.003 0.000 1.148 303 Y CA 1.400 59.482 58.100 -0.029 0.000 1.125 303 Y CB -0.590 37.870 38.460 0.000 0.000 0.975 303 Y HN 0.156 nan 8.280 nan 0.000 0.492 304 M N -0.717 118.748 119.600 -0.225 0.000 2.254 304 M HA -0.040 4.440 4.480 -0.001 0.000 0.265 304 M C -0.264 175.998 176.300 -0.064 0.000 1.066 304 M CA 1.780 56.927 55.300 -0.254 0.000 1.123 304 M CB -0.079 32.440 32.600 -0.135 0.000 1.388 304 M HN 0.309 nan 8.290 nan 0.000 0.425 305 D N 0.052 120.440 120.400 -0.019 0.000 2.452 305 D HA 0.086 4.726 4.640 -0.001 0.000 0.226 305 D C -1.231 175.060 176.300 -0.015 0.000 1.366 305 D CA -0.330 53.681 54.000 0.019 0.000 0.986 305 D CB 0.729 41.593 40.800 0.108 0.000 1.420 305 D HN -0.124 nan 8.370 nan 0.000 0.583 306 N N 3.919 122.601 118.700 -0.031 0.000 2.482 306 N HA 0.199 4.939 4.740 -0.001 0.000 0.242 306 N C -1.138 174.366 175.510 -0.010 0.000 1.100 306 N CA 0.254 53.276 53.050 -0.046 0.000 0.946 306 N CB 0.524 38.985 38.487 -0.045 0.000 1.227 306 N HN 0.526 nan 8.380 nan 0.000 0.508 307 D N 4.029 124.432 120.400 0.005 0.000 4.049 307 D HA 0.121 4.760 4.640 -0.001 0.000 0.241 307 D C -0.488 175.843 176.300 0.051 0.000 1.472 307 D CA -0.092 53.926 54.000 0.030 0.000 0.879 307 D CB -0.210 40.606 40.800 0.025 0.000 1.386 307 D HN 0.343 nan 8.370 nan 0.000 0.813 308 I N -0.007 120.611 120.570 0.079 0.000 4.643 308 I HA 0.527 4.696 4.170 -0.001 0.000 0.173 308 I C 1.244 177.456 176.117 0.159 0.000 0.757 308 I CA -0.793 60.581 61.300 0.123 0.000 1.922 308 I CB -0.262 37.838 38.000 0.166 0.000 1.159 308 I HN -0.005 nan 8.210 nan 0.000 0.379 309 A N 0.402 123.358 122.820 0.226 0.000 3.135 309 A HA 0.737 5.056 4.320 -0.001 0.000 0.253 309 A C 0.314 178.011 177.584 0.189 0.000 1.638 309 A CA 0.491 52.626 52.037 0.163 0.000 1.295 309 A CB -1.647 17.411 19.000 0.097 0.000 1.106 309 A HN 0.983 nan 8.150 nan 0.000 0.648 310 G N -0.576 108.365 108.800 0.235 0.000 2.341 310 G HA2 0.394 4.353 3.960 -0.001 0.000 0.293 310 G HA3 0.394 4.353 3.960 -0.001 0.000 0.293 310 G C -1.253 173.789 174.900 0.237 0.000 1.298 310 G CA -0.809 44.441 45.100 0.251 0.000 0.868 310 G HN 0.270 nan 8.290 nan 0.000 0.540 311 Q N 0.998 120.923 119.800 0.208 0.000 3.230 311 Q HA 0.263 4.603 4.340 -0.001 0.000 0.303 311 Q C -2.566 173.513 176.000 0.131 0.000 0.884 311 Q CA -1.521 54.358 55.803 0.127 0.000 0.859 311 Q CB 2.283 31.071 28.738 0.083 0.000 1.432 311 Q HN 0.487 nan 8.270 nan 0.000 0.403 312 P HA -0.085 nan 4.420 nan 0.000 0.264 312 P C -0.854 176.489 177.300 0.072 0.000 1.236 312 P CA 0.407 63.585 63.100 0.130 0.000 0.811 312 P CB 0.480 32.205 31.700 0.042 0.000 0.840 313 Q N 2.571 122.421 119.800 0.084 0.000 2.490 313 Q HA 0.622 4.962 4.340 -0.001 0.000 0.255 313 Q C -0.745 175.303 176.000 0.079 0.000 0.997 313 Q CA -0.580 55.268 55.803 0.075 0.000 0.709 313 Q CB 1.833 30.608 28.738 0.063 0.000 1.255 313 Q HN 0.535 nan 8.270 nan 0.000 0.486 314 A N 3.533 126.408 122.820 0.091 0.000 3.044 314 A HA 0.363 4.683 4.320 -0.001 0.000 0.289 314 A C -1.056 176.581 177.584 0.087 0.000 1.236 314 A CA -0.415 51.670 52.037 0.080 0.000 0.871 314 A CB 0.171 19.217 19.000 0.076 0.000 1.424 314 A HN 0.666 nan 8.150 nan 0.000 0.564 315 L N 1.665 122.957 121.223 0.116 0.000 2.445 315 L HA 0.439 4.779 4.340 -0.001 0.000 0.252 315 L C 0.946 177.886 176.870 0.117 0.000 1.105 315 L CA -0.324 54.623 54.840 0.178 0.000 0.943 315 L CB 1.169 43.480 42.059 0.422 0.000 1.277 315 L HN 0.919 nan 8.230 nan 0.000 0.465 316 Q N 1.322 121.078 119.800 -0.074 0.000 2.393 316 Q HA -0.225 4.114 4.340 -0.001 0.000 0.235 316 Q C -0.762 175.251 176.000 0.021 0.000 0.823 316 Q CA 1.467 57.223 55.803 -0.079 0.000 1.284 316 Q CB -0.349 28.314 28.738 -0.125 0.000 1.669 316 Q HN 0.641 nan 8.270 nan 0.000 0.597 317 K N -0.549 119.878 120.400 0.045 0.000 2.565 317 K HA 0.262 4.582 4.320 -0.001 0.000 0.249 317 K C 0.560 177.183 176.600 0.038 0.000 0.958 317 K CA 0.284 56.601 56.287 0.049 0.000 0.806 317 K CB 1.490 34.033 32.500 0.072 0.000 1.194 317 K HN 0.126 nan 8.250 nan 0.000 0.434 318 S N 0.495 116.211 115.700 0.026 0.000 2.555 318 S HA -0.067 4.402 4.470 -0.001 0.000 0.230 318 S C 1.648 176.265 174.600 0.028 0.000 0.978 318 S CA 0.689 58.903 58.200 0.023 0.000 0.934 318 S CB -0.071 63.138 63.200 0.015 0.000 0.766 318 S HN 0.801 nan 8.310 nan 0.000 0.533 319 G N 1.406 110.225 108.800 0.031 0.000 2.534 319 G HA2 0.021 3.981 3.960 -0.001 0.000 0.217 319 G HA3 0.021 3.981 3.960 -0.001 0.000 0.217 319 G C 0.411 175.333 174.900 0.036 0.000 1.128 319 G CA -0.415 44.704 45.100 0.030 0.000 0.784 319 G HN 0.537 nan 8.290 nan 0.000 0.542 320 R N -0.988 119.538 120.500 0.044 0.000 2.958 320 R HA -0.120 4.220 4.340 -0.001 0.000 0.277 320 R C -2.841 173.490 176.300 0.052 0.000 0.940 320 R CA 0.072 56.203 56.100 0.051 0.000 0.664 320 R CB -1.830 28.497 30.300 0.046 0.000 1.551 320 R HN 0.341 nan 8.270 nan 0.000 0.455 321 P HA 0.587 nan 4.420 nan 0.000 0.287 321 P C -1.143 176.194 177.300 0.062 0.000 1.292 321 P CA -0.805 62.328 63.100 0.056 0.000 0.879 321 P CB 1.879 33.614 31.700 0.060 0.000 1.214 322 V N 0.483 120.425 119.914 0.047 0.000 2.823 322 V HA 0.395 4.515 4.120 -0.001 0.000 0.296 322 V C -1.531 174.579 176.094 0.026 0.000 1.250 322 V CA -0.447 61.879 62.300 0.044 0.000 0.939 322 V CB 1.465 33.310 31.823 0.036 0.000 1.062 322 V HN 0.416 nan 8.190 nan 0.000 0.433 323 K N 3.238 123.654 120.400 0.026 0.000 2.378 323 K HA 0.955 5.274 4.320 -0.001 0.000 0.244 323 K C -0.647 175.961 176.600 0.014 0.000 1.039 323 K CA -0.309 55.984 56.287 0.010 0.000 0.863 323 K CB 2.373 34.872 32.500 -0.001 0.000 1.326 323 K HN 0.944 nan 8.250 nan 0.000 0.460 324 S N -1.137 114.557 115.700 -0.009 0.000 2.800 324 S HA 0.413 4.883 4.470 -0.001 0.000 0.293 324 S C 0.470 175.024 174.600 -0.076 0.000 1.209 324 S CA -0.840 57.338 58.200 -0.037 0.000 0.884 324 S CB 0.230 63.400 63.200 -0.050 0.000 1.244 324 S HN 0.523 nan 8.310 nan 0.000 0.540 325 I N 0.594 121.075 120.570 -0.148 0.000 2.927 325 I HA 0.177 4.346 4.170 -0.001 0.000 0.268 325 I C 2.724 178.794 176.117 -0.079 0.000 1.153 325 I CA 0.052 61.274 61.300 -0.130 0.000 1.459 325 I CB -0.251 37.621 38.000 -0.215 0.000 1.149 325 I HN 0.628 nan 8.210 nan 0.000 0.443 326 R N 2.566 123.027 120.500 -0.066 0.000 2.120 326 R HA -0.056 4.283 4.340 -0.001 0.000 0.234 326 R C 1.149 177.416 176.300 -0.054 0.000 1.123 326 R CA 1.683 57.754 56.100 -0.050 0.000 0.975 326 R CB -0.088 30.210 30.300 -0.003 0.000 0.866 326 R HN 0.306 nan 8.270 nan 0.000 0.446 327 A N 0.754 123.549 122.820 -0.043 0.000 3.003 327 A HA 0.252 4.572 4.320 -0.001 0.000 0.301 327 A C 1.344 178.909 177.584 -0.031 0.000 1.280 327 A CA -0.476 51.541 52.037 -0.032 0.000 0.973 327 A CB -0.125 18.862 19.000 -0.022 0.000 1.110 327 A HN 0.278 nan 8.150 nan 0.000 0.590 328 R N -0.703 119.775 120.500 -0.037 0.000 2.344 328 R HA 0.328 4.668 4.340 -0.001 0.000 0.209 328 R C 0.383 176.668 176.300 -0.026 0.000 0.886 328 R CA 0.182 56.264 56.100 -0.030 0.000 1.040 328 R CB 0.137 30.418 30.300 -0.032 0.000 1.114 328 R HN 0.523 nan 8.270 nan 0.000 0.547 329 L N 0.923 122.127 121.223 -0.032 0.000 2.653 329 L HA 0.172 4.512 4.340 -0.001 0.000 0.232 329 L C 0.935 177.791 176.870 -0.023 0.000 1.169 329 L CA 0.272 55.095 54.840 -0.028 0.000 0.951 329 L CB 0.192 42.227 42.059 -0.039 0.000 1.181 329 L HN -0.044 nan 8.230 nan 0.000 0.460 330 K N 0.708 121.096 120.400 -0.021 0.000 2.551 330 K HA 0.095 4.415 4.320 -0.001 0.000 0.192 330 K C 1.126 177.718 176.600 -0.012 0.000 1.027 330 K CA 0.434 56.712 56.287 -0.015 0.000 1.059 330 K CB 0.208 32.700 32.500 -0.013 0.000 0.831 330 K HN 0.352 nan 8.250 nan 0.000 0.508 331 G N 0.501 109.293 108.800 -0.013 0.000 5.580 331 G HA2 0.083 4.043 3.960 -0.001 0.000 0.197 331 G HA3 0.083 4.043 3.960 -0.001 0.000 0.197 331 G C 0.181 175.074 174.900 -0.012 0.000 0.741 331 G CA -0.378 44.715 45.100 -0.011 0.000 0.692 331 G HN 0.060 nan 8.290 nan 0.000 0.300 332 K N -0.141 120.251 120.400 -0.012 0.000 2.711 332 K HA 0.091 4.411 4.320 -0.001 0.000 0.197 332 K C 1.622 178.216 176.600 -0.010 0.000 1.535 332 K CA 0.465 56.746 56.287 -0.011 0.000 1.170 332 K CB 0.611 33.105 32.500 -0.011 0.000 1.596 332 K HN 0.291 nan 8.250 nan 0.000 0.584 333 E N 0.653 120.845 120.200 -0.013 0.000 2.479 333 E HA 0.044 4.394 4.350 -0.001 0.000 0.193 333 E C 1.117 177.712 176.600 -0.008 0.000 1.049 333 E CA 0.588 56.981 56.400 -0.012 0.000 0.870 333 E CB 0.578 30.267 29.700 -0.019 0.000 0.944 333 E HN 0.234 nan 8.360 nan 0.000 0.492 334 G N 0.781 109.575 108.800 -0.010 0.000 3.079 334 G HA2 0.051 4.011 3.960 -0.001 0.000 0.233 334 G HA3 0.051 4.011 3.960 -0.001 0.000 0.233 334 G C 1.450 176.345 174.900 -0.010 0.000 1.062 334 G CA -0.308 44.786 45.100 -0.009 0.000 0.809 334 G HN 0.064 nan 8.290 nan 0.000 0.535 335 R N -0.229 120.265 120.500 -0.009 0.000 2.128 335 R HA 0.340 4.680 4.340 -0.001 0.000 0.211 335 R C 1.991 178.285 176.300 -0.009 0.000 1.067 335 R CA 0.294 56.389 56.100 -0.010 0.000 1.010 335 R CB -0.025 30.269 30.300 -0.010 0.000 0.922 335 R HN 0.326 nan 8.270 nan 0.000 0.457 336 I N -0.087 120.479 120.570 -0.007 0.000 2.716 336 I HA -0.078 4.091 4.170 -0.001 0.000 0.259 336 I C 2.403 178.516 176.117 -0.007 0.000 1.172 336 I CA 0.480 61.776 61.300 -0.006 0.000 1.478 336 I CB -0.113 37.885 38.000 -0.004 0.000 1.104 336 I HN 0.120 nan 8.210 nan 0.000 0.439 337 R N 1.464 121.960 120.500 -0.007 0.000 2.148 337 R HA -0.082 4.258 4.340 -0.001 0.000 0.223 337 R C 2.231 178.525 176.300 -0.011 0.000 1.088 337 R CA 1.257 57.352 56.100 -0.009 0.000 0.985 337 R CB -0.276 30.018 30.300 -0.009 0.000 0.880 337 R HN 0.364 nan 8.270 nan 0.000 0.451 338 G N 0.505 109.299 108.800 -0.011 0.000 2.432 338 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.219 338 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.219 338 G C 1.057 175.951 174.900 -0.011 0.000 1.135 338 G CA 0.497 45.590 45.100 -0.011 0.000 0.767 338 G HN 0.359 nan 8.290 nan 0.000 0.550 339 N N 0.184 118.878 118.700 -0.010 0.000 2.461 339 N HA 0.103 4.842 4.740 -0.001 0.000 0.188 339 N C 1.205 176.709 175.510 -0.011 0.000 1.134 339 N CA 0.162 53.206 53.050 -0.009 0.000 0.878 339 N CB 0.386 38.868 38.487 -0.008 0.000 0.972 339 N HN 0.295 nan 8.380 nan 0.000 0.456 340 L N -0.021 121.195 121.223 -0.012 0.000 2.700 340 L HA 0.313 4.653 4.340 -0.001 0.000 0.234 340 L C 1.109 177.969 176.870 -0.017 0.000 1.156 340 L CA 0.210 55.041 54.840 -0.014 0.000 0.946 340 L CB 0.106 42.158 42.059 -0.013 0.000 1.216 340 L HN 0.031 nan 8.230 nan 0.000 0.493 341 M N -1.386 118.205 119.600 -0.015 0.000 2.241 341 M HA 0.284 4.764 4.480 -0.001 0.000 0.374 341 M C 0.946 177.241 176.300 -0.009 0.000 0.922 341 M CA 0.140 55.431 55.300 -0.014 0.000 1.031 341 M CB 1.505 34.096 32.600 -0.015 0.000 1.864 341 M HN 0.117 nan 8.290 nan 0.000 0.636 342 G N 2.055 110.851 108.800 -0.007 0.000 2.225 342 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.264 342 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.264 342 G C 0.618 175.522 174.900 0.006 0.000 1.060 342 G CA 0.698 45.798 45.100 0.002 0.000 0.833 342 G HN 0.483 nan 8.290 nan 0.000 0.498 343 K N -0.587 119.812 120.400 -0.001 0.000 2.031 343 K HA 0.027 4.347 4.320 -0.001 0.000 0.205 343 K C 1.586 178.183 176.600 -0.005 0.000 1.049 343 K CA 0.794 57.079 56.287 -0.003 0.000 0.939 343 K CB 0.029 32.524 32.500 -0.008 0.000 0.717 343 K HN 0.371 nan 8.250 nan 0.000 0.438 344 R N 2.475 122.970 120.500 -0.009 0.000 3.701 344 R HA 0.081 4.420 4.340 -0.001 0.000 0.210 344 R C -0.441 175.850 176.300 -0.015 0.000 1.598 344 R CA -0.181 55.908 56.100 -0.019 0.000 1.427 344 R CB -0.051 30.235 30.300 -0.023 0.000 1.339 344 R HN 0.009 nan 8.270 nan 0.000 0.720 345 V N -0.134 119.778 119.914 -0.003 0.000 2.387 345 V HA 0.161 4.281 4.120 -0.001 0.000 0.260 345 V C -0.036 176.045 176.094 -0.022 0.000 1.054 345 V CA -0.847 61.468 62.300 0.026 0.000 0.967 345 V CB 0.412 32.272 31.823 0.062 0.000 1.036 345 V HN 0.423 nan 8.190 nan 0.000 0.481 346 D N 4.089 124.457 120.400 -0.053 0.000 2.505 346 D HA 0.464 5.103 4.640 -0.001 0.000 0.249 346 D C -0.152 176.076 176.300 -0.120 0.000 1.082 346 D CA -1.218 52.623 54.000 -0.266 0.000 0.839 346 D CB 1.449 41.952 40.800 -0.494 0.000 1.317 346 D HN 0.603 nan 8.370 nan 0.000 0.497 347 F N 0.303 120.314 119.950 0.101 0.000 2.969 347 F HA -0.216 4.311 4.527 -0.001 0.000 0.326 347 F C -0.361 175.519 175.800 0.133 0.000 0.933 347 F CA 0.403 58.474 58.000 0.119 0.000 1.229 347 F CB -1.884 37.191 39.000 0.126 0.000 1.320 347 F HN 0.593 nan 8.300 nan 0.000 0.657 348 S N -0.699 115.134 115.700 0.222 0.000 2.543 348 S HA 0.930 5.400 4.470 -0.001 0.000 0.273 348 S C -0.638 174.001 174.600 0.064 0.000 1.152 348 S CA -0.372 57.889 58.200 0.101 0.000 0.910 348 S CB 2.087 65.303 63.200 0.027 0.000 1.105 348 S HN 1.116 nan 8.310 nan 0.000 0.465 349 A N 1.825 124.694 122.820 0.080 0.000 2.386 349 A HA 0.972 5.291 4.320 -0.001 0.000 0.308 349 A C -0.422 177.262 177.584 0.167 0.000 1.128 349 A CA -1.039 51.069 52.037 0.118 0.000 0.789 349 A CB 1.754 20.854 19.000 0.165 0.000 1.325 349 A HN 1.060 nan 8.150 nan 0.000 0.437 350 R N 0.207 120.760 120.500 0.089 0.000 2.673 350 R HA 0.750 5.089 4.340 -0.001 0.000 0.281 350 R C -1.422 174.837 176.300 -0.069 0.000 0.991 350 R CA -0.083 56.070 56.100 0.088 0.000 0.896 350 R CB 2.052 32.365 30.300 0.022 0.000 1.201 350 R HN 0.815 nan 8.270 nan 0.000 0.457 351 T N 0.881 115.377 114.554 -0.097 0.000 2.661 351 T HA 0.202 4.552 4.350 -0.001 0.000 0.305 351 T C -1.058 173.605 174.700 -0.062 0.000 1.441 351 T CA -0.592 61.392 62.100 -0.193 0.000 0.999 351 T CB 1.019 69.612 68.868 -0.458 0.000 1.650 351 T HN 0.291 nan 8.240 nan 0.000 0.489 352 V N 2.206 122.084 119.914 -0.061 0.000 2.811 352 V HA 0.364 4.483 4.120 -0.001 0.000 0.302 352 V C 0.434 176.585 176.094 0.096 0.000 1.063 352 V CA -0.195 62.118 62.300 0.022 0.000 1.088 352 V CB 0.183 32.010 31.823 0.007 0.000 0.982 352 V HN 0.660 nan 8.190 nan 0.000 0.485 353 I N 1.485 122.170 120.570 0.192 0.000 2.793 353 I HA 0.861 5.031 4.170 -0.001 0.000 0.313 353 I C -0.100 176.164 176.117 0.246 0.000 0.998 353 I CA -0.276 61.207 61.300 0.304 0.000 1.140 353 I CB 2.013 40.272 38.000 0.432 0.000 1.327 353 I HN 0.523 nan 8.210 nan 0.000 0.491 354 S N 0.710 116.411 115.700 0.001 0.000 2.550 354 S HA 0.640 5.110 4.470 -0.001 0.000 0.270 354 S C -0.270 173.604 174.600 -1.209 0.000 1.145 354 S CA -0.699 57.153 58.200 -0.579 0.000 0.852 354 S CB 1.712 64.735 63.200 -0.295 0.000 1.119 354 S HN 1.097 nan 8.310 nan 0.000 0.465 355 G N 0.416 107.977 108.800 -2.066 0.000 2.444 355 G HA2 0.532 4.491 3.960 -0.001 0.000 0.268 355 G HA3 0.532 4.491 3.960 -0.001 0.000 0.268 355 G C -1.267 173.387 174.900 -0.411 0.000 1.203 355 G CA -0.027 44.386 45.100 -1.145 0.000 0.835 355 G HN 0.541 nan 8.290 nan 0.000 0.543 356 D N 1.500 121.802 120.400 -0.164 0.000 2.616 356 D HA 0.260 4.899 4.640 -0.001 0.000 0.238 356 D C -1.890 174.407 176.300 -0.006 0.000 1.354 356 D CA -1.521 52.433 54.000 -0.076 0.000 0.970 356 D CB 2.718 43.488 40.800 -0.050 0.000 1.369 356 D HN 0.111 nan 8.370 nan 0.000 0.585 357 P HA 0.044 nan 4.420 nan 0.000 0.233 357 P C 0.309 177.636 177.300 0.046 0.000 1.167 357 P CA 0.282 63.397 63.100 0.024 0.000 0.770 357 P CB 0.530 32.228 31.700 -0.002 0.000 0.837 358 N N -0.100 118.634 118.700 0.056 0.000 2.321 358 N HA 0.212 4.952 4.740 -0.001 0.000 0.242 358 N C 0.021 175.579 175.510 0.081 0.000 1.141 358 N CA 0.065 53.174 53.050 0.098 0.000 0.864 358 N CB 0.653 39.219 38.487 0.131 0.000 1.100 358 N HN 0.255 nan 8.380 nan 0.000 0.510 359 L N 0.542 121.802 121.223 0.063 0.000 2.354 359 L HA 0.349 4.689 4.340 -0.001 0.000 0.269 359 L C 0.315 177.219 176.870 0.058 0.000 1.005 359 L CA -0.892 53.979 54.840 0.051 0.000 0.819 359 L CB 1.934 44.015 42.059 0.037 0.000 1.311 359 L HN -0.150 nan 8.230 nan 0.000 0.423 360 E N 1.233 121.462 120.200 0.048 0.000 2.390 360 E HA 0.028 4.377 4.350 -0.001 0.000 0.261 360 E C 0.690 177.307 176.600 0.028 0.000 1.076 360 E CA -0.249 56.179 56.400 0.046 0.000 0.905 360 E CB 1.065 30.785 29.700 0.033 0.000 0.984 360 E HN 0.433 nan 8.360 nan 0.000 0.427 361 L N 2.437 123.664 121.223 0.008 0.000 2.051 361 L HA -0.244 4.096 4.340 -0.001 0.000 0.214 361 L C 1.336 178.148 176.870 -0.098 0.000 1.076 361 L CA 2.313 57.105 54.840 -0.079 0.000 0.758 361 L CB -0.310 41.626 42.059 -0.205 0.000 0.890 361 L HN 0.523 nan 8.230 nan 0.000 0.433 362 D N -1.752 118.593 120.400 -0.092 0.000 2.328 362 D HA -0.039 4.601 4.640 -0.001 0.000 0.226 362 D C 0.539 176.808 176.300 -0.051 0.000 1.066 362 D CA 0.034 53.943 54.000 -0.152 0.000 0.861 362 D CB -0.235 40.484 40.800 -0.136 0.000 0.912 362 D HN 0.509 nan 8.370 nan 0.000 0.521 363 Q N -0.249 119.572 119.800 0.034 0.000 2.199 363 Q HA 0.540 4.879 4.340 -0.001 0.000 0.232 363 Q C -0.975 175.081 176.000 0.093 0.000 0.969 363 Q CA -0.979 54.858 55.803 0.056 0.000 0.925 363 Q CB 2.946 31.694 28.738 0.017 0.000 1.198 363 Q HN 0.048 nan 8.270 nan 0.000 0.494 364 V N -0.019 119.847 119.914 -0.081 0.000 2.612 364 V HA 0.591 4.710 4.120 -0.001 0.000 0.301 364 V C -0.689 175.257 176.094 -0.245 0.000 1.059 364 V CA -0.433 61.667 62.300 -0.333 0.000 0.886 364 V CB 1.647 32.916 31.823 -0.925 0.000 1.007 364 V HN 0.818 nan 8.190 nan 0.000 0.426 365 G N 5.776 114.484 108.800 -0.152 0.000 2.367 365 G HA2 0.477 4.436 3.960 -0.001 0.000 0.280 365 G HA3 0.477 4.436 3.960 -0.001 0.000 0.280 365 G C -0.535 174.400 174.900 0.057 0.000 1.175 365 G CA -0.088 44.991 45.100 -0.036 0.000 1.001 365 G HN 0.976 nan 8.290 nan 0.000 0.437 366 V N 6.468 126.409 119.914 0.044 0.000 2.334 366 V HA 0.293 4.413 4.120 -0.001 0.000 0.281 366 V C -1.797 174.335 176.094 0.064 0.000 1.016 366 V CA -1.825 60.579 62.300 0.173 0.000 0.832 366 V CB 1.779 33.644 31.823 0.071 0.000 0.999 366 V HN 0.646 nan 8.190 nan 0.000 0.439 367 P HA 0.061 nan 4.420 nan 0.000 0.268 367 P C 0.670 177.906 177.300 -0.105 0.000 1.204 367 P CA -0.057 63.010 63.100 -0.056 0.000 0.768 367 P CB 1.241 32.891 31.700 -0.082 0.000 0.842 368 K N 2.938 123.236 120.400 -0.171 0.000 2.077 368 K HA -0.253 4.066 4.320 -0.001 0.000 0.213 368 K C 2.076 178.573 176.600 -0.171 0.000 1.051 368 K CA 2.624 58.764 56.287 -0.245 0.000 0.929 368 K CB -0.439 31.920 32.500 -0.234 0.000 0.715 368 K HN 0.563 nan 8.250 nan 0.000 0.451 369 S N 0.434 116.061 115.700 -0.123 0.000 2.370 369 S HA -0.175 4.295 4.470 -0.001 0.000 0.226 369 S C 2.006 176.563 174.600 -0.072 0.000 1.033 369 S CA 1.512 59.656 58.200 -0.094 0.000 1.011 369 S CB -0.539 62.614 63.200 -0.078 0.000 0.852 369 S HN 0.387 nan 8.310 nan 0.000 0.457 370 I N 2.001 122.535 120.570 -0.060 0.000 2.353 370 I HA -0.032 4.138 4.170 -0.001 0.000 0.248 370 I C 2.994 179.128 176.117 0.029 0.000 1.119 370 I CA 0.980 62.276 61.300 -0.007 0.000 1.417 370 I CB -0.607 37.396 38.000 0.005 0.000 1.078 370 I HN 0.447 nan 8.210 nan 0.000 0.421 371 A N 0.575 123.390 122.820 -0.009 0.000 2.121 371 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 371 A C 2.134 179.711 177.584 -0.012 0.000 1.154 371 A CA 1.256 53.306 52.037 0.022 0.000 0.679 371 A CB -0.367 18.608 19.000 -0.043 0.000 0.795 371 A HN 0.330 nan 8.150 nan 0.000 0.458 372 K N -1.014 119.304 120.400 -0.137 0.000 2.418 372 K HA 0.025 4.344 4.320 -0.001 0.000 0.195 372 K C 1.382 177.963 176.600 -0.033 0.000 1.035 372 K CA 1.225 57.297 56.287 -0.357 0.000 1.003 372 K CB 0.128 32.440 32.500 -0.313 0.000 0.793 372 K HN 0.453 nan 8.250 nan 0.000 0.494 373 T N 0.769 115.360 114.554 0.061 0.000 3.021 373 T HA 0.153 4.503 4.350 -0.001 0.000 0.245 373 T C 0.649 175.481 174.700 0.220 0.000 1.028 373 T CA 0.175 62.354 62.100 0.132 0.000 1.139 373 T CB 0.170 69.093 68.868 0.090 0.000 0.884 373 T HN -0.013 nan 8.240 nan 0.000 0.457 374 L N 3.018 124.374 121.223 0.221 0.000 2.371 374 L HA 0.462 4.802 4.340 -0.001 0.000 0.272 374 L C 0.650 177.687 176.870 0.279 0.000 1.124 374 L CA -0.484 54.522 54.840 0.276 0.000 0.816 374 L CB 0.518 42.713 42.059 0.227 0.000 1.129 374 L HN 0.254 nan 8.230 nan 0.000 0.448 375 T N -1.086 113.617 114.554 0.247 0.000 2.887 375 T HA 0.548 4.898 4.350 -0.001 0.000 0.292 375 T C -1.277 173.427 174.700 0.006 0.000 1.087 375 T CA -0.762 61.428 62.100 0.149 0.000 1.009 375 T CB 2.017 70.978 68.868 0.155 0.000 1.203 375 T HN 0.398 nan 8.240 nan 0.000 0.518 376 Y N 2.006 122.248 120.300 -0.096 0.000 2.386 376 Y HA 0.550 5.100 4.550 -0.001 0.000 0.334 376 Y C -2.836 173.007 175.900 -0.095 0.000 1.002 376 Y CA -2.698 55.318 58.100 -0.139 0.000 1.068 376 Y CB 2.481 40.902 38.460 -0.066 0.000 1.203 376 Y HN 0.507 nan 8.280 nan 0.000 0.443 377 P HA 0.128 nan 4.420 nan 0.000 0.277 377 P C -0.878 176.016 177.300 -0.676 0.000 1.354 377 P CA 0.160 62.929 63.100 -0.553 0.000 0.891 377 P CB 0.904 32.353 31.700 -0.418 0.000 1.058 378 E N 2.739 122.754 120.200 -0.308 0.000 2.166 378 E HA 0.311 4.661 4.350 -0.001 0.000 0.275 378 E C -0.555 176.038 176.600 -0.012 0.000 0.941 378 E CA -1.007 55.334 56.400 -0.098 0.000 0.784 378 E CB 1.629 31.388 29.700 0.098 0.000 1.115 378 E HN 0.132 nan 8.360 nan 0.000 0.399 379 V N 3.924 123.853 119.914 0.025 0.000 2.686 379 V HA 0.062 4.181 4.120 -0.001 0.000 0.295 379 V C 0.147 176.291 176.094 0.083 0.000 1.055 379 V CA -0.542 61.793 62.300 0.058 0.000 1.050 379 V CB 1.435 33.290 31.823 0.053 0.000 0.984 379 V HN 0.485 nan 8.190 nan 0.000 0.482 380 V N 5.358 125.341 119.914 0.116 0.000 2.470 380 V HA 0.432 4.552 4.120 -0.001 0.000 0.276 380 V C 0.530 176.666 176.094 0.069 0.000 1.040 380 V CA 0.329 62.702 62.300 0.122 0.000 1.008 380 V CB 0.763 32.683 31.823 0.161 0.000 0.990 380 V HN 1.160 nan 8.190 nan 0.000 0.477 381 T N 3.076 117.618 114.554 -0.019 0.000 2.843 381 T HA 0.471 4.821 4.350 -0.001 0.000 0.302 381 T C -2.119 172.356 174.700 -0.376 0.000 1.232 381 T CA -1.670 60.221 62.100 -0.349 0.000 1.009 381 T CB 2.354 71.005 68.868 -0.362 0.000 1.254 381 T HN 0.331 nan 8.240 nan 0.000 0.504 382 P HA -0.113 nan 4.420 nan 0.000 0.223 382 P C 0.870 178.071 177.300 -0.165 0.000 1.144 382 P CA 1.100 63.984 63.100 -0.360 0.000 0.783 382 P CB -0.260 31.148 31.700 -0.486 0.000 0.771 383 Y N 1.195 121.453 120.300 -0.070 0.000 2.439 383 Y HA -0.095 4.455 4.550 -0.001 0.000 0.292 383 Y C 1.918 177.818 175.900 -0.000 0.000 1.130 383 Y CA 0.825 58.907 58.100 -0.029 0.000 1.254 383 Y CB -0.581 37.859 38.460 -0.033 0.000 1.000 383 Y HN 0.209 nan 8.280 nan 0.000 0.554 384 N N -2.367 116.410 118.700 0.129 0.000 2.113 384 N HA -0.018 4.721 4.740 -0.001 0.000 0.223 384 N C 1.128 176.685 175.510 0.079 0.000 1.310 384 N CA -0.087 53.024 53.050 0.102 0.000 0.896 384 N CB -0.689 37.862 38.487 0.107 0.000 1.097 384 N HN 0.029 nan 8.380 nan 0.000 0.507 385 I N 1.869 122.491 120.570 0.087 0.000 2.182 385 I HA -0.338 3.831 4.170 -0.001 0.000 0.248 385 I C 0.703 176.850 176.117 0.050 0.000 1.073 385 I CA 1.812 63.167 61.300 0.093 0.000 1.335 385 I CB -0.584 37.515 38.000 0.165 0.000 1.031 385 I HN 0.165 nan 8.210 nan 0.000 0.420 386 D N -0.406 120.023 120.400 0.048 0.000 2.075 386 D HA -0.193 4.446 4.640 -0.001 0.000 0.196 386 D C 2.342 178.658 176.300 0.026 0.000 0.985 386 D CA 1.468 55.486 54.000 0.030 0.000 0.834 386 D CB -0.269 40.550 40.800 0.032 0.000 0.987 386 D HN 0.237 nan 8.370 nan 0.000 0.452 387 R N 0.395 120.915 120.500 0.033 0.000 2.096 387 R HA -0.129 4.211 4.340 -0.001 0.000 0.240 387 R C 2.350 178.663 176.300 0.021 0.000 1.139 387 R CA 1.083 57.198 56.100 0.025 0.000 0.952 387 R CB -0.562 29.757 30.300 0.032 0.000 0.854 387 R HN 0.182 nan 8.270 nan 0.000 0.436 388 L N 0.076 121.320 121.223 0.035 0.000 2.043 388 L HA -0.238 4.102 4.340 -0.001 0.000 0.212 388 L C 2.508 179.392 176.870 0.022 0.000 1.075 388 L CA 1.956 56.817 54.840 0.034 0.000 0.752 388 L CB -0.552 41.540 42.059 0.056 0.000 0.891 388 L HN 0.363 nan 8.230 nan 0.000 0.432 389 T N -1.454 113.112 114.554 0.020 0.000 2.746 389 T HA -0.277 4.072 4.350 -0.001 0.000 0.267 389 T C 1.793 176.494 174.700 0.003 0.000 1.039 389 T CA 1.599 63.706 62.100 0.011 0.000 1.142 389 T CB -0.097 68.772 68.868 0.001 0.000 0.866 389 T HN 0.239 nan 8.240 nan 0.000 0.444 390 Q N 0.792 120.593 119.800 0.001 0.000 2.084 390 Q HA -0.009 4.331 4.340 -0.001 0.000 0.202 390 Q C 2.104 178.095 176.000 -0.014 0.000 0.978 390 Q CA 1.500 57.300 55.803 -0.005 0.000 0.844 390 Q CB -0.679 28.057 28.738 -0.004 0.000 0.898 390 Q HN 0.536 nan 8.270 nan 0.000 0.426 391 L N -0.863 120.347 121.223 -0.021 0.000 1.970 391 L HA -0.214 4.126 4.340 -0.001 0.000 0.212 391 L C 2.314 179.155 176.870 -0.049 0.000 1.071 391 L CA 1.367 56.181 54.840 -0.044 0.000 0.751 391 L CB -0.906 41.120 42.059 -0.055 0.000 0.889 391 L HN 0.101 nan 8.230 nan 0.000 0.432 392 V N -0.221 119.672 119.914 -0.035 0.000 2.453 392 V HA -0.301 3.819 4.120 -0.001 0.000 0.252 392 V C 2.593 178.672 176.094 -0.025 0.000 1.068 392 V CA 1.786 64.067 62.300 -0.032 0.000 1.070 392 V CB -0.776 31.048 31.823 0.003 0.000 0.664 392 V HN 0.411 nan 8.190 nan 0.000 0.461 393 R N -0.113 120.378 120.500 -0.015 0.000 2.119 393 R HA -0.020 4.320 4.340 -0.001 0.000 0.222 393 R C 2.144 178.437 176.300 -0.011 0.000 1.088 393 R CA 0.964 57.058 56.100 -0.010 0.000 0.984 393 R CB -0.297 30.000 30.300 -0.006 0.000 0.884 393 R HN 0.559 nan 8.270 nan 0.000 0.447 394 N N 0.367 119.060 118.700 -0.012 0.000 2.381 394 N HA -0.060 4.680 4.740 -0.001 0.000 0.182 394 N C 0.993 176.508 175.510 0.009 0.000 1.025 394 N CA 1.124 54.175 53.050 0.001 0.000 0.888 394 N CB 0.148 38.636 38.487 0.003 0.000 0.965 394 N HN 0.276 nan 8.380 nan 0.000 0.438 395 G N 1.176 109.966 108.800 -0.017 0.000 2.697 395 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.240 395 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.240 395 G C -1.909 173.006 174.900 0.025 0.000 1.346 395 G CA -0.005 45.077 45.100 -0.030 0.000 0.887 395 G HN 0.129 nan 8.290 nan 0.000 0.569 396 P HA 0.009 nan 4.420 nan 0.000 0.241 396 P C 0.950 178.328 177.300 0.130 0.000 1.191 396 P CA 1.256 64.433 63.100 0.128 0.000 0.771 396 P CB -0.058 31.625 31.700 -0.028 0.000 0.929 397 N N -0.411 118.326 118.700 0.062 0.000 2.402 397 N HA 0.029 4.769 4.740 -0.001 0.000 0.174 397 N C 0.488 176.019 175.510 0.035 0.000 1.027 397 N CA 0.052 53.118 53.050 0.027 0.000 0.891 397 N CB 0.218 38.708 38.487 0.005 0.000 1.016 397 N HN 0.237 nan 8.380 nan 0.000 0.439 398 E N 0.077 120.316 120.200 0.066 0.000 2.231 398 E HA 0.032 4.381 4.350 -0.001 0.000 0.277 398 E C 0.154 176.822 176.600 0.113 0.000 0.999 398 E CA -0.359 56.080 56.400 0.066 0.000 0.827 398 E CB 1.513 31.241 29.700 0.047 0.000 1.101 398 E HN 0.215 nan 8.360 nan 0.000 0.393 399 H N 4.343 123.415 119.070 0.003 0.000 2.340 399 H HA -0.070 4.486 4.556 -0.001 0.000 0.294 399 H C -1.418 174.006 175.328 0.161 0.000 1.056 399 H CA 1.325 57.371 56.048 -0.003 0.000 1.185 399 H CB -1.102 28.642 29.762 -0.029 0.000 1.379 399 H HN 0.323 nan 8.280 nan 0.000 0.540 400 P HA 0.143 nan 4.420 nan 0.000 0.245 400 P C -0.446 176.793 177.300 -0.101 0.000 1.670 400 P CA 0.841 63.682 63.100 -0.433 0.000 1.146 400 P CB -0.043 31.499 31.700 -0.263 0.000 1.954 401 G N 0.497 109.344 108.800 0.078 0.000 3.243 401 G HA2 0.842 4.801 3.960 -0.001 0.000 0.248 401 G HA3 0.842 4.801 3.960 -0.001 0.000 0.248 401 G C -1.486 173.125 174.900 -0.481 0.000 1.267 401 G CA -0.481 44.581 45.100 -0.063 0.000 0.906 401 G HN 0.380 nan 8.290 nan 0.000 0.592 402 A N -1.651 120.851 122.820 -0.530 0.000 2.583 402 A HA 0.774 5.094 4.320 -0.001 0.000 0.289 402 A C -0.003 177.349 177.584 -0.386 0.000 1.151 402 A CA -0.416 51.307 52.037 -0.523 0.000 0.695 402 A CB 1.440 20.312 19.000 -0.213 0.000 1.290 402 A HN 0.506 nan 8.150 nan 0.000 0.419 403 K N -1.232 119.020 120.400 -0.247 0.000 2.399 403 K HA 0.307 4.626 4.320 -0.001 0.000 0.196 403 K C -1.035 175.213 176.600 -0.587 0.000 1.117 403 K CA 0.760 56.855 56.287 -0.320 0.000 0.965 403 K CB 0.552 32.971 32.500 -0.136 0.000 0.983 403 K HN 0.598 nan 8.250 nan 0.000 0.531 404 Y N -0.766 119.499 120.300 -0.058 0.000 2.625 404 Y HA 0.425 4.974 4.550 -0.001 0.000 0.338 404 Y C -0.900 174.973 175.900 -0.046 0.000 1.123 404 Y CA -1.280 56.792 58.100 -0.046 0.000 1.046 404 Y CB 2.042 40.484 38.460 -0.031 0.000 1.299 404 Y HN -0.444 nan 8.280 nan 0.000 0.464 405 V N 3.312 123.305 119.914 0.131 0.000 2.488 405 V HA 0.385 4.505 4.120 -0.001 0.000 0.293 405 V C -1.009 175.057 176.094 -0.046 0.000 1.027 405 V CA -0.582 61.751 62.300 0.055 0.000 0.862 405 V CB 1.191 33.054 31.823 0.068 0.000 1.008 405 V HN 0.465 nan 8.190 nan 0.000 0.428 406 I N 4.857 125.372 120.570 -0.092 0.000 2.331 406 I HA 0.501 4.671 4.170 -0.001 0.000 0.292 406 I C 0.655 176.498 176.117 -0.457 0.000 0.998 406 I CA -0.026 61.150 61.300 -0.207 0.000 1.267 406 I CB 1.163 39.080 38.000 -0.138 0.000 1.386 406 I HN 0.493 nan 8.210 nan 0.000 0.476 407 R N 3.640 123.730 120.500 -0.682 0.000 2.528 407 R HA 0.229 4.568 4.340 -0.001 0.000 0.271 407 R C 0.749 176.679 176.300 -0.617 0.000 1.056 407 R CA -0.666 54.691 56.100 -1.238 0.000 1.117 407 R CB 0.504 30.143 30.300 -1.101 0.000 1.085 407 R HN 0.519 nan 8.270 nan 0.000 0.530 408 D N 0.694 120.823 120.400 -0.452 0.000 2.268 408 D HA -0.254 4.385 4.640 -0.001 0.000 0.189 408 D C 1.666 177.929 176.300 -0.062 0.000 1.010 408 D CA 2.542 56.525 54.000 -0.029 0.000 0.862 408 D CB -0.385 40.520 40.800 0.175 0.000 0.943 408 D HN 0.608 nan 8.370 nan 0.000 0.451 409 S N -1.066 114.585 115.700 -0.081 0.000 2.500 409 S HA 0.055 4.524 4.470 -0.001 0.000 0.239 409 S C 1.731 176.282 174.600 -0.081 0.000 0.989 409 S CA 1.309 59.472 58.200 -0.062 0.000 0.951 409 S CB 0.072 63.240 63.200 -0.055 0.000 0.759 409 S HN 0.515 nan 8.310 nan 0.000 0.523 410 G N 0.577 109.302 108.800 -0.125 0.000 2.159 410 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.227 410 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.227 410 G C -0.452 174.372 174.900 -0.126 0.000 0.986 410 G CA -0.053 44.979 45.100 -0.113 0.000 0.651 410 G HN 0.535 nan 8.290 nan 0.000 0.523 411 D N 0.665 120.972 120.400 -0.156 0.000 2.390 411 D HA 0.322 4.962 4.640 -0.001 0.000 0.249 411 D C 0.821 177.035 176.300 -0.144 0.000 1.144 411 D CA 0.249 54.167 54.000 -0.136 0.000 0.880 411 D CB 0.717 41.431 40.800 -0.142 0.000 1.182 411 D HN 0.288 nan 8.370 nan 0.000 0.451 412 R N 2.078 122.528 120.500 -0.083 0.000 2.312 412 R HA 0.492 4.832 4.340 -0.001 0.000 0.311 412 R C -0.221 176.103 176.300 0.040 0.000 1.004 412 R CA -0.569 55.511 56.100 -0.033 0.000 0.902 412 R CB 1.204 31.474 30.300 -0.048 0.000 1.073 412 R HN 0.347 nan 8.270 nan 0.000 0.457 413 I N 2.249 122.871 120.570 0.085 0.000 2.354 413 I HA 0.103 4.272 4.170 -0.001 0.000 0.286 413 I C -0.313 175.880 176.117 0.127 0.000 1.007 413 I CA -0.681 60.665 61.300 0.076 0.000 1.167 413 I CB 1.534 39.538 38.000 0.008 0.000 1.320 413 I HN 0.394 nan 8.210 nan 0.000 0.458 414 D N 7.088 127.553 120.400 0.108 0.000 2.344 414 D HA 0.114 4.753 4.640 -0.001 0.000 0.253 414 D C 1.101 177.283 176.300 -0.196 0.000 1.255 414 D CA 0.078 54.025 54.000 -0.089 0.000 0.894 414 D CB 1.109 41.945 40.800 0.060 0.000 1.067 414 D HN 0.500 nan 8.370 nan 0.000 0.492 415 L N 3.850 124.883 121.223 -0.317 0.000 2.447 415 L HA -0.161 4.178 4.340 -0.001 0.000 0.225 415 L C 2.354 179.081 176.870 -0.238 0.000 1.148 415 L CA 0.804 55.508 54.840 -0.226 0.000 0.808 415 L CB -0.260 41.667 42.059 -0.220 0.000 0.928 415 L HN 0.417 nan 8.230 nan 0.000 0.448 416 R N -0.683 119.581 120.500 -0.393 0.000 2.206 416 R HA -0.014 4.325 4.340 -0.001 0.000 0.198 416 R C 0.041 176.121 176.300 -0.367 0.000 0.986 416 R CA 0.302 56.123 56.100 -0.465 0.000 1.029 416 R CB -0.079 29.765 30.300 -0.759 0.000 0.966 416 R HN 0.231 nan 8.270 nan 0.000 0.487 417 Y N 1.194 121.467 120.300 -0.045 0.000 2.805 417 Y HA 0.477 5.027 4.550 -0.000 0.000 0.339 417 Y C -0.495 175.396 175.900 -0.014 0.000 1.012 417 Y CA -1.021 57.068 58.100 -0.019 0.000 1.262 417 Y CB 1.718 40.174 38.460 -0.006 0.000 1.100 417 Y HN -0.019 nan 8.280 nan 0.000 0.559 418 S N 2.276 118.037 115.700 0.101 0.000 2.590 418 S HA 0.119 4.589 4.470 -0.001 0.000 0.286 418 S C 0.140 174.766 174.600 0.044 0.000 1.147 418 S CA -1.064 57.173 58.200 0.062 0.000 0.963 418 S CB 0.709 63.928 63.200 0.032 0.000 1.124 418 S HN 0.783 nan 8.310 nan 0.000 0.458 419 K N 3.362 123.787 120.400 0.041 0.000 2.633 419 K HA 0.093 4.412 4.320 -0.001 0.000 0.193 419 K C 0.656 177.272 176.600 0.026 0.000 1.033 419 K CA 0.679 56.985 56.287 0.031 0.000 0.980 419 K CB -0.115 32.402 32.500 0.028 0.000 0.800 419 K HN 0.522 nan 8.250 nan 0.000 0.493 420 R N -0.688 119.827 120.500 0.026 0.000 2.544 420 R HA 0.213 4.552 4.340 -0.001 0.000 0.426 420 R C 1.163 177.475 176.300 0.021 0.000 0.943 420 R CA 0.316 56.431 56.100 0.025 0.000 1.162 420 R CB 0.766 31.085 30.300 0.032 0.000 1.588 420 R HN 0.196 nan 8.270 nan 0.000 0.563 421 A N 0.901 123.727 122.820 0.010 0.000 1.927 421 A HA -0.135 4.185 4.320 -0.001 0.000 0.220 421 A C 1.761 179.346 177.584 0.001 0.000 1.185 421 A CA 2.071 54.105 52.037 -0.005 0.000 0.639 421 A CB -0.503 18.484 19.000 -0.022 0.000 0.820 421 A HN 0.371 nan 8.150 nan 0.000 0.451 422 G N -1.374 107.429 108.800 0.004 0.000 3.591 422 G HA2 0.390 4.350 3.960 -0.001 0.000 0.282 422 G HA3 0.390 4.350 3.960 -0.001 0.000 0.282 422 G C -0.210 174.696 174.900 0.010 0.000 1.238 422 G CA 0.776 45.879 45.100 0.005 0.000 0.993 422 G HN 0.441 nan 8.290 nan 0.000 0.542 423 D N 0.161 120.571 120.400 0.018 0.000 3.220 423 D HA 0.215 4.855 4.640 -0.001 0.000 0.309 423 D C -0.244 176.078 176.300 0.037 0.000 1.276 423 D CA -0.395 53.618 54.000 0.021 0.000 0.736 423 D CB -0.089 40.723 40.800 0.020 0.000 1.304 423 D HN 0.086 nan 8.370 nan 0.000 0.582 424 I N 0.810 121.406 120.570 0.044 0.000 2.569 424 I HA 0.358 4.528 4.170 -0.001 0.000 0.296 424 I C -0.260 175.889 176.117 0.053 0.000 1.028 424 I CA -0.839 60.510 61.300 0.082 0.000 1.082 424 I CB 2.247 40.317 38.000 0.117 0.000 1.264 424 I HN -0.012 nan 8.210 nan 0.000 0.429 425 Q N 6.272 126.098 119.800 0.043 0.000 2.462 425 Q HA 0.467 4.806 4.340 -0.001 0.000 0.247 425 Q C -1.022 174.848 176.000 -0.217 0.000 1.044 425 Q CA -0.583 55.174 55.803 -0.075 0.000 0.803 425 Q CB 1.671 30.345 28.738 -0.107 0.000 1.190 425 Q HN 0.504 nan 8.270 nan 0.000 0.507 426 L N 2.259 123.384 121.223 -0.165 0.000 2.525 426 L HA -0.013 4.326 4.340 -0.001 0.000 0.278 426 L C 0.532 177.022 176.870 -0.633 0.000 1.218 426 L CA 0.462 55.142 54.840 -0.266 0.000 0.878 426 L CB 0.028 42.060 42.059 -0.045 0.000 1.127 426 L HN 0.402 nan 8.230 nan 0.000 0.492 427 Q N 2.435 121.535 119.800 -1.166 0.000 2.345 427 Q HA 0.349 4.688 4.340 -0.001 0.000 0.268 427 Q C -0.896 174.775 176.000 -0.548 0.000 1.054 427 Q CA -0.792 54.362 55.803 -1.082 0.000 0.835 427 Q CB 2.073 29.891 28.738 -1.533 0.000 1.339 427 Q HN 0.424 nan 8.270 nan 0.000 0.447 428 Y N -0.117 119.980 120.300 -0.338 0.000 2.811 428 Y HA -0.006 4.543 4.550 -0.001 0.000 0.334 428 Y C 1.622 177.471 175.900 -0.085 0.000 1.247 428 Y CA 0.878 58.874 58.100 -0.174 0.000 1.526 428 Y CB 0.361 38.733 38.460 -0.146 0.000 1.284 428 Y HN 1.017 nan 8.280 nan 0.000 0.586 429 G N 1.594 110.498 108.800 0.174 0.000 2.213 429 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.236 429 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.236 429 G C -0.194 174.895 174.900 0.315 0.000 0.991 429 G CA -0.389 44.825 45.100 0.190 0.000 0.629 429 G HN 0.578 nan 8.290 nan 0.000 0.517 430 W N 1.160 122.485 121.300 0.042 0.000 2.086 430 W HA 0.720 5.379 4.660 -0.001 0.000 0.355 430 W C 0.822 177.346 176.519 0.009 0.000 1.313 430 W CA -0.521 56.836 57.345 0.020 0.000 1.358 430 W CB 0.397 29.868 29.460 0.018 0.000 1.166 430 W HN 0.023 nan 8.180 nan 0.000 0.630 431 K N 0.526 121.042 120.400 0.192 0.000 2.259 431 K HA 0.619 4.938 4.320 -0.001 0.000 0.252 431 K C -1.406 175.237 176.600 0.073 0.000 0.936 431 K CA -0.891 55.443 56.287 0.077 0.000 0.810 431 K CB 2.191 34.685 32.500 -0.010 0.000 1.143 431 K HN 0.053 nan 8.250 nan 0.000 0.427 432 V N 2.475 122.415 119.914 0.044 0.000 2.447 432 V HA 0.157 4.277 4.120 -0.001 0.000 0.292 432 V C -0.677 175.416 176.094 -0.001 0.000 1.021 432 V CA -0.792 61.533 62.300 0.041 0.000 0.850 432 V CB 1.441 33.297 31.823 0.055 0.000 1.005 432 V HN 0.749 nan 8.190 nan 0.000 0.426 433 E N 4.952 125.164 120.200 0.019 0.000 1.814 433 E HA 0.218 4.567 4.350 -0.001 0.000 0.264 433 E C 0.262 176.850 176.600 -0.021 0.000 1.179 433 E CA -0.318 56.089 56.400 0.012 0.000 0.972 433 E CB 0.350 30.117 29.700 0.112 0.000 1.077 433 E HN 0.643 nan 8.360 nan 0.000 0.417 434 R N 1.485 121.969 120.500 -0.028 0.000 2.528 434 R HA 0.376 4.716 4.340 -0.001 0.000 0.271 434 R C -0.361 175.941 176.300 0.003 0.000 1.056 434 R CA -0.684 55.365 56.100 -0.084 0.000 1.117 434 R CB 0.616 30.911 30.300 -0.009 0.000 1.085 434 R HN 0.378 nan 8.270 nan 0.000 0.530 435 H N 0.636 119.751 119.070 0.075 0.000 2.771 435 H HA 0.120 4.676 4.556 -0.001 0.000 0.364 435 H C 0.532 175.939 175.328 0.132 0.000 1.133 435 H CA -0.491 55.626 56.048 0.115 0.000 1.423 435 H CB 0.534 30.376 29.762 0.132 0.000 1.425 435 H HN 0.534 nan 8.280 nan 0.000 0.606 436 I N 0.048 120.788 120.570 0.284 0.000 2.754 436 I HA 0.140 4.310 4.170 -0.001 0.000 0.285 436 I C -0.149 176.109 176.117 0.235 0.000 1.166 436 I CA 0.290 61.704 61.300 0.191 0.000 1.417 436 I CB 0.412 38.492 38.000 0.133 0.000 1.382 436 I HN 0.393 nan 8.210 nan 0.000 0.588 437 M N 2.124 121.815 119.600 0.152 0.000 2.719 437 M HA 0.391 4.871 4.480 -0.001 0.000 0.291 437 M C -0.845 175.510 176.300 0.092 0.000 1.264 437 M CA -0.949 54.450 55.300 0.165 0.000 0.811 437 M CB 1.468 34.127 32.600 0.099 0.000 1.756 437 M HN 0.488 nan 8.290 nan 0.000 0.464 438 D N 2.118 122.574 120.400 0.093 0.000 2.571 438 D HA 0.008 4.648 4.640 -0.001 0.000 0.231 438 D C 0.097 176.406 176.300 0.016 0.000 1.133 438 D CA 1.310 55.337 54.000 0.045 0.000 0.862 438 D CB 0.068 40.896 40.800 0.046 0.000 1.179 438 D HN 0.575 nan 8.370 nan 0.000 0.474 439 N N 0.940 119.639 118.700 -0.001 0.000 2.782 439 N HA -0.171 4.569 4.740 -0.001 0.000 0.251 439 N C -1.038 174.451 175.510 -0.034 0.000 1.101 439 N CA 0.665 53.706 53.050 -0.015 0.000 0.764 439 N CB -0.737 37.743 38.487 -0.012 0.000 1.122 439 N HN 0.494 nan 8.380 nan 0.000 0.561 440 D N 1.076 121.452 120.400 -0.040 0.000 2.210 440 D HA 0.244 4.883 4.640 -0.001 0.000 0.249 440 D C -2.048 174.212 176.300 -0.068 0.000 1.078 440 D CA -1.062 52.889 54.000 -0.082 0.000 0.875 440 D CB 1.197 41.942 40.800 -0.092 0.000 1.175 440 D HN 0.070 nan 8.370 nan 0.000 0.440 441 P HA 0.037 nan 4.420 nan 0.000 0.276 441 P C -0.549 176.739 177.300 -0.019 0.000 1.253 441 P CA -0.287 62.789 63.100 -0.041 0.000 0.766 441 P CB 0.751 32.421 31.700 -0.049 0.000 0.845 442 V N 2.224 122.151 119.914 0.021 0.000 2.709 442 V HA 0.445 4.565 4.120 -0.001 0.000 0.308 442 V C -0.385 175.784 176.094 0.124 0.000 1.062 442 V CA -1.439 60.890 62.300 0.048 0.000 0.901 442 V CB 1.890 33.708 31.823 -0.008 0.000 1.003 442 V HN 0.247 nan 8.190 nan 0.000 0.425 443 L N 3.941 125.269 121.223 0.175 0.000 2.380 443 L HA 0.627 4.967 4.340 -0.001 0.000 0.273 443 L C -0.799 176.257 176.870 0.310 0.000 1.138 443 L CA 0.187 55.176 54.840 0.248 0.000 0.832 443 L CB 0.773 42.977 42.059 0.241 0.000 1.124 443 L HN 0.738 nan 8.230 nan 0.000 0.454 444 F N 5.498 125.505 119.950 0.095 0.000 2.518 444 F HA 0.463 4.990 4.527 -0.001 0.000 0.323 444 F C -0.305 175.493 175.800 -0.004 0.000 1.129 444 F CA -0.821 57.121 58.000 -0.096 0.000 0.920 444 F CB 1.195 39.957 39.000 -0.396 0.000 1.160 444 F HN 0.610 nan 8.300 nan 0.000 0.440 445 N N 4.395 122.818 118.700 -0.461 0.000 2.260 445 N HA 0.437 5.177 4.740 -0.001 0.000 0.293 445 N C -1.687 173.525 175.510 -0.497 0.000 1.058 445 N CA -0.667 52.196 53.050 -0.312 0.000 0.824 445 N CB 1.914 40.394 38.487 -0.012 0.000 1.551 445 N HN 0.728 nan 8.380 nan 0.000 0.475 446 R N 2.755 123.036 120.500 -0.365 0.000 2.337 446 R HA 0.275 4.615 4.340 -0.001 0.000 0.319 446 R C -0.735 175.508 176.300 -0.095 0.000 0.954 446 R CA -0.365 55.565 56.100 -0.282 0.000 0.840 446 R CB 0.897 31.027 30.300 -0.282 0.000 1.164 446 R HN 0.522 nan 8.270 nan 0.000 0.472 447 Q N 4.519 124.270 119.800 -0.082 0.000 2.368 447 Q HA 0.308 4.648 4.340 -0.001 0.000 0.237 447 Q C -1.924 174.056 176.000 -0.033 0.000 0.987 447 Q CA -1.884 53.896 55.803 -0.037 0.000 0.896 447 Q CB 0.753 29.473 28.738 -0.031 0.000 1.241 447 Q HN 0.536 nan 8.270 nan 0.000 0.485 448 P HA 0.047 nan 4.420 nan 0.000 0.275 448 P C -1.094 176.207 177.300 0.001 0.000 1.227 448 P CA -0.290 62.801 63.100 -0.015 0.000 0.781 448 P CB 0.860 32.547 31.700 -0.021 0.000 0.906 449 S N 2.866 118.572 115.700 0.010 0.000 2.955 449 S HA 0.209 4.679 4.470 -0.001 0.000 0.294 449 S C 0.761 175.378 174.600 0.028 0.000 1.198 449 S CA -0.511 57.712 58.200 0.038 0.000 1.008 449 S CB -0.566 62.656 63.200 0.037 0.000 1.279 449 S HN 0.317 nan 8.310 nan 0.000 0.508 450 L N -0.200 121.037 121.223 0.024 0.000 2.910 450 L HA 0.502 4.842 4.340 -0.001 0.000 0.252 450 L C 0.202 177.093 176.870 0.036 0.000 1.195 450 L CA 0.058 54.894 54.840 -0.007 0.000 1.003 450 L CB -0.957 41.066 42.059 -0.060 0.000 1.328 450 L HN 0.588 nan 8.230 nan 0.000 0.540 451 H N 0.352 119.405 119.070 -0.028 0.000 2.840 451 H HA 0.242 4.798 4.556 -0.001 0.000 0.340 451 H C 0.306 175.618 175.328 -0.026 0.000 1.004 451 H CA -0.550 55.475 56.048 -0.038 0.000 1.288 451 H CB 1.895 31.637 29.762 -0.033 0.000 1.607 451 H HN 0.129 nan 8.280 nan 0.000 0.522 452 K N 2.433 122.845 120.400 0.020 0.000 2.160 452 K HA -0.155 4.164 4.320 -0.001 0.000 0.206 452 K C 1.057 177.614 176.600 -0.072 0.000 1.047 452 K CA 1.737 58.007 56.287 -0.030 0.000 0.930 452 K CB -0.081 32.385 32.500 -0.057 0.000 0.720 452 K HN 0.421 nan 8.250 nan 0.000 0.450 453 M N 1.407 120.875 119.600 -0.219 0.000 2.776 453 M HA 0.039 4.519 4.480 -0.001 0.000 0.233 453 M C 0.818 177.008 176.300 -0.182 0.000 1.078 453 M CA 0.723 55.852 55.300 -0.286 0.000 1.058 453 M CB 0.065 32.372 32.600 -0.488 0.000 1.611 453 M HN 0.063 nan 8.290 nan 0.000 0.541 454 S N -0.577 115.160 115.700 0.061 0.000 2.535 454 S HA 0.318 4.788 4.470 -0.001 0.000 0.214 454 S C 0.651 175.500 174.600 0.416 0.000 0.980 454 S CA 0.287 58.669 58.200 0.303 0.000 0.907 454 S CB 0.139 63.472 63.200 0.222 0.000 0.790 454 S HN 0.446 nan 8.310 nan 0.000 0.510 455 M N 1.970 121.722 119.600 0.254 0.000 1.956 455 M HA 0.419 4.898 4.480 -0.001 0.000 0.256 455 M C -1.359 175.065 176.300 0.206 0.000 0.869 455 M CA 0.244 55.695 55.300 0.251 0.000 0.886 455 M CB 1.144 33.824 32.600 0.133 0.000 1.739 455 M HN 0.081 nan 8.290 nan 0.000 0.381 456 M N 1.342 121.139 119.600 0.328 0.000 2.578 456 M HA 0.730 5.210 4.480 -0.001 0.000 0.321 456 M C 0.085 176.555 176.300 0.284 0.000 1.182 456 M CA -0.778 54.631 55.300 0.182 0.000 0.965 456 M CB 2.178 34.779 32.600 0.003 0.000 1.694 456 M HN 0.572 nan 8.290 nan 0.000 0.461 457 A N 1.685 124.576 122.820 0.118 0.000 2.354 457 A HA 0.497 4.817 4.320 -0.001 0.000 0.269 457 A C -0.833 176.790 177.584 0.064 0.000 1.109 457 A CA -0.196 51.923 52.037 0.136 0.000 0.800 457 A CB 0.176 19.205 19.000 0.049 0.000 1.045 457 A HN 0.878 nan 8.150 nan 0.000 0.489 458 H N 1.208 120.280 119.070 0.003 0.000 2.768 458 H HA 0.329 4.885 4.556 -0.001 0.000 0.371 458 H C -0.544 174.737 175.328 -0.078 0.000 1.151 458 H CA -0.845 55.172 56.048 -0.051 0.000 1.165 458 H CB 1.675 31.359 29.762 -0.129 0.000 1.722 458 H HN 0.725 nan 8.280 nan 0.000 0.543 459 R N 0.992 121.516 120.500 0.040 0.000 2.490 459 R HA 0.236 4.576 4.340 -0.001 0.000 0.280 459 R C -0.307 175.981 176.300 -0.021 0.000 1.077 459 R CA -0.528 55.571 56.100 -0.003 0.000 1.065 459 R CB 0.894 31.187 30.300 -0.012 0.000 1.003 459 R HN 0.210 nan 8.270 nan 0.000 0.470 460 V N 3.624 123.517 119.914 -0.035 0.000 2.614 460 V HA 0.120 4.240 4.120 -0.001 0.000 0.291 460 V C 0.350 176.427 176.094 -0.029 0.000 1.049 460 V CA 0.136 62.406 62.300 -0.050 0.000 1.038 460 V CB 1.152 32.959 31.823 -0.027 0.000 0.980 460 V HN 0.512 nan 8.190 nan 0.000 0.481 461 K N 4.254 124.630 120.400 -0.041 0.000 2.664 461 K HA 0.362 4.682 4.320 -0.001 0.000 0.234 461 K C -1.164 175.417 176.600 -0.032 0.000 0.980 461 K CA -0.445 55.829 56.287 -0.022 0.000 0.996 461 K CB 1.586 34.075 32.500 -0.020 0.000 1.190 461 K HN 0.443 nan 8.250 nan 0.000 0.479 462 V N 6.235 126.127 119.914 -0.036 0.000 2.572 462 V HA 0.308 4.428 4.120 -0.001 0.000 0.291 462 V C 0.861 176.900 176.094 -0.091 0.000 1.039 462 V CA -0.213 62.026 62.300 -0.102 0.000 1.055 462 V CB 0.236 31.923 31.823 -0.227 0.000 0.969 462 V HN 0.625 nan 8.190 nan 0.000 0.482 463 I N 3.285 123.801 120.570 -0.091 0.000 3.174 463 I HA 0.687 4.857 4.170 -0.001 0.000 0.313 463 I C -2.268 173.777 176.117 -0.119 0.000 1.155 463 I CA -2.389 58.867 61.300 -0.073 0.000 0.977 463 I CB 2.125 40.117 38.000 -0.012 0.000 1.248 463 I HN 0.338 nan 8.210 nan 0.000 0.453 464 P HA -0.029 nan 4.420 nan 0.000 0.219 464 P C -0.175 176.967 177.300 -0.264 0.000 1.231 464 P CA 0.568 63.472 63.100 -0.327 0.000 0.673 464 P CB -0.311 31.019 31.700 -0.617 0.000 0.768 465 Y N 0.063 120.334 120.300 -0.047 0.000 3.322 465 Y HA -0.142 4.407 4.550 -0.001 0.000 0.358 465 Y C 2.049 177.908 175.900 -0.067 0.000 1.233 465 Y CA 0.148 58.216 58.100 -0.052 0.000 1.513 465 Y CB -1.376 37.057 38.460 -0.045 0.000 1.163 465 Y HN 0.251 nan 8.280 nan 0.000 0.638 466 S N 0.620 116.365 115.700 0.075 0.000 2.695 466 S HA 0.261 4.730 4.470 -0.001 0.000 0.250 466 S C 0.396 174.973 174.600 -0.039 0.000 1.355 466 S CA -0.361 57.823 58.200 -0.026 0.000 0.965 466 S CB 0.215 63.389 63.200 -0.043 0.000 0.987 466 S HN 1.873 nan 8.310 nan 0.000 0.576 467 T N -1.816 112.660 114.554 -0.130 0.000 0.547 467 T HA -0.201 4.148 4.350 -0.001 0.000 0.773 467 T C -0.481 174.197 174.700 -0.036 0.000 0.992 467 T CA -0.018 62.012 62.100 -0.117 0.000 4.073 467 T CB -2.464 66.385 68.868 -0.032 0.000 2.301 467 T HN 0.593 nan 8.240 nan 0.000 0.397 468 F N 4.026 123.992 119.950 0.027 0.000 2.484 468 F HA 0.451 4.978 4.527 -0.001 0.000 0.360 468 F C 1.844 177.639 175.800 -0.008 0.000 1.101 468 F CA -0.889 57.113 58.000 0.004 0.000 1.251 468 F CB 0.762 39.841 39.000 0.132 0.000 1.132 468 F HN 0.479 nan 8.300 nan 0.000 0.570 469 R N 4.233 124.821 120.500 0.146 0.000 2.664 469 R HA 0.788 5.128 4.340 -0.001 0.000 0.286 469 R C -1.161 175.144 176.300 0.008 0.000 0.967 469 R CA -1.015 55.106 56.100 0.035 0.000 0.933 469 R CB 2.204 32.502 30.300 -0.003 0.000 1.146 469 R HN 0.607 nan 8.270 nan 0.000 0.468 470 L N 0.758 122.014 121.223 0.054 0.000 2.415 470 L HA 0.381 4.721 4.340 -0.001 0.000 0.256 470 L C -0.279 176.670 176.870 0.133 0.000 1.010 470 L CA -1.116 53.806 54.840 0.137 0.000 0.826 470 L CB 2.125 44.374 42.059 0.316 0.000 1.405 470 L HN 0.564 nan 8.230 nan 0.000 0.410 471 N N 1.096 119.882 118.700 0.144 0.000 2.520 471 N HA 0.118 4.857 4.740 -0.001 0.000 0.273 471 N C 0.677 176.292 175.510 0.174 0.000 1.155 471 N CA -0.093 53.028 53.050 0.118 0.000 0.967 471 N CB 1.489 40.020 38.487 0.073 0.000 1.092 471 N HN 0.600 nan 8.380 nan 0.000 0.457 472 L N 2.561 123.889 121.223 0.175 0.000 2.129 472 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 472 L C 2.124 179.090 176.870 0.161 0.000 1.087 472 L CA 1.197 56.170 54.840 0.223 0.000 0.757 472 L CB -0.224 41.950 42.059 0.191 0.000 0.896 472 L HN 0.552 nan 8.230 nan 0.000 0.434 473 S N -1.824 113.937 115.700 0.102 0.000 2.650 473 S HA 0.029 4.498 4.470 -0.001 0.000 0.219 473 S C 1.363 175.917 174.600 -0.078 0.000 0.960 473 S CA 0.141 58.359 58.200 0.030 0.000 0.925 473 S CB 0.229 63.455 63.200 0.043 0.000 0.775 473 S HN 0.198 nan 8.310 nan 0.000 0.525 474 V N 0.386 120.307 119.914 0.012 0.000 3.578 474 V HA 0.050 4.170 4.120 -0.001 0.000 0.290 474 V C 1.956 178.131 176.094 0.135 0.000 1.376 474 V CA 0.778 63.088 62.300 0.017 0.000 1.083 474 V CB 0.009 31.926 31.823 0.156 0.000 0.911 474 V HN 0.392 nan 8.190 nan 0.000 0.433 475 T N -0.449 114.186 114.554 0.134 0.000 2.708 475 T HA -0.189 4.161 4.350 -0.001 0.000 0.266 475 T C 2.094 176.830 174.700 0.060 0.000 1.037 475 T CA 2.296 64.454 62.100 0.098 0.000 1.146 475 T CB -0.097 68.789 68.868 0.029 0.000 0.865 475 T HN 0.550 nan 8.240 nan 0.000 0.435 476 S N 0.933 116.651 115.700 0.030 0.000 2.356 476 S HA -0.042 4.428 4.470 -0.001 0.000 0.223 476 S C -0.281 174.338 174.600 0.031 0.000 1.032 476 S CA 1.283 59.496 58.200 0.022 0.000 1.005 476 S CB -0.937 62.275 63.200 0.020 0.000 0.867 476 S HN 0.432 nan 8.310 nan 0.000 0.449 477 P HA -0.072 nan 4.420 nan 0.000 0.219 477 P C 0.679 177.994 177.300 0.025 0.000 1.150 477 P CA 1.170 64.231 63.100 -0.065 0.000 0.814 477 P CB -0.306 31.227 31.700 -0.279 0.000 0.787 478 Y N -0.494 119.833 120.300 0.045 0.000 2.544 478 Y HA 0.068 4.617 4.550 -0.001 0.000 0.286 478 Y C 1.172 177.071 175.900 -0.002 0.000 1.141 478 Y CA -0.115 58.001 58.100 0.027 0.000 1.299 478 Y CB -0.392 38.081 38.460 0.021 0.000 1.030 478 Y HN 0.046 nan 8.280 nan 0.000 0.543 479 N N 0.390 119.177 118.700 0.144 0.000 2.738 479 N HA -0.193 4.547 4.740 -0.001 0.000 0.249 479 N C -0.884 174.627 175.510 0.001 0.000 1.047 479 N CA 0.044 53.123 53.050 0.048 0.000 0.707 479 N CB -0.812 37.693 38.487 0.030 0.000 0.937 479 N HN 0.315 nan 8.380 nan 0.000 0.545 480 A N 0.523 123.327 122.820 -0.027 0.000 2.435 480 A HA 0.760 5.080 4.320 -0.001 0.000 0.296 480 A C -0.698 176.709 177.584 -0.296 0.000 1.147 480 A CA -0.022 51.940 52.037 -0.126 0.000 0.775 480 A CB 1.616 20.550 19.000 -0.111 0.000 1.340 480 A HN 0.586 nan 8.150 nan 0.000 0.427 481 D N -1.859 118.300 120.400 -0.403 0.000 2.752 481 D HA 0.495 5.135 4.640 -0.001 0.000 0.313 481 D C -1.004 174.920 176.300 -0.628 0.000 1.225 481 D CA -0.485 53.115 54.000 -0.667 0.000 0.976 481 D CB 0.223 40.846 40.800 -0.295 0.000 1.443 481 D HN 0.257 nan 8.370 nan 0.000 0.515 482 F N -0.240 119.727 119.950 0.027 0.000 2.942 482 F HA 0.257 4.784 4.527 -0.001 0.000 0.324 482 F C 0.079 175.885 175.800 0.009 0.000 1.265 482 F CA -0.771 57.242 58.000 0.021 0.000 1.255 482 F CB 0.236 39.252 39.000 0.027 0.000 1.048 482 F HN 0.157 nan 8.300 nan 0.000 0.512 483 D N -1.079 119.386 120.400 0.107 0.000 2.643 483 D HA 0.415 5.054 4.640 -0.001 0.000 0.244 483 D C 1.384 177.709 176.300 0.042 0.000 1.257 483 D CA -0.173 53.867 54.000 0.066 0.000 0.831 483 D CB 0.607 41.426 40.800 0.033 0.000 1.043 483 D HN 0.377 nan 8.370 nan 0.000 0.488 484 G N -0.164 108.669 108.800 0.055 0.000 2.551 484 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.186 484 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.186 484 G C -0.299 174.617 174.900 0.026 0.000 1.002 484 G CA -0.525 44.593 45.100 0.031 0.000 0.723 484 G HN 0.310 nan 8.290 nan 0.000 0.481 485 D N 1.505 121.922 120.400 0.028 0.000 2.478 485 D HA 0.438 5.078 4.640 -0.001 0.000 0.234 485 D C 0.477 176.792 176.300 0.025 0.000 1.154 485 D CA 0.892 54.897 54.000 0.008 0.000 0.874 485 D CB 0.577 41.367 40.800 -0.016 0.000 1.198 485 D HN 0.489 nan 8.370 nan 0.000 0.455 486 E N 0.758 120.954 120.200 -0.007 0.000 2.256 486 E HA 0.431 4.780 4.350 -0.001 0.000 0.268 486 E C -0.489 176.074 176.600 -0.061 0.000 0.877 486 E CA -0.635 55.763 56.400 -0.003 0.000 0.757 486 E CB 1.800 31.493 29.700 -0.012 0.000 1.183 486 E HN 0.318 nan 8.360 nan 0.000 0.418 487 M N 1.493 121.052 119.600 -0.068 0.000 2.777 487 M HA 0.462 4.941 4.480 -0.001 0.000 0.307 487 M C -0.542 175.636 176.300 -0.204 0.000 1.228 487 M CA -1.096 54.009 55.300 -0.325 0.000 0.871 487 M CB 1.482 33.559 32.600 -0.872 0.000 1.721 487 M HN 0.274 nan 8.290 nan 0.000 0.487 488 N N 1.637 120.105 118.700 -0.386 0.000 2.361 488 N HA 0.615 5.354 4.740 -0.001 0.000 0.302 488 N C -1.663 173.676 175.510 -0.285 0.000 1.074 488 N CA -0.494 52.422 53.050 -0.223 0.000 0.850 488 N CB 2.276 40.650 38.487 -0.189 0.000 1.228 488 N HN 0.592 nan 8.380 nan 0.000 0.491 489 L N 2.110 123.258 121.223 -0.124 0.000 2.341 489 L HA 0.450 4.790 4.340 -0.001 0.000 0.278 489 L C -1.043 175.675 176.870 -0.254 0.000 1.005 489 L CA -0.625 54.190 54.840 -0.042 0.000 0.818 489 L CB 0.944 42.940 42.059 -0.105 0.000 1.259 489 L HN 0.481 nan 8.230 nan 0.000 0.418 490 H N 4.447 123.591 119.070 0.124 0.000 2.529 490 H HA 0.359 4.914 4.556 -0.001 0.000 0.348 490 H C -0.942 174.455 175.328 0.115 0.000 1.079 490 H CA -0.558 55.565 56.048 0.125 0.000 1.198 490 H CB 2.369 32.194 29.762 0.105 0.000 1.521 490 H HN 0.331 nan 8.280 nan 0.000 0.514 491 V N 6.339 126.399 119.914 0.244 0.000 2.334 491 V HA 0.142 4.261 4.120 -0.001 0.000 0.267 491 V C -1.819 174.362 176.094 0.145 0.000 1.040 491 V CA -1.563 60.834 62.300 0.162 0.000 0.866 491 V CB 0.783 32.692 31.823 0.144 0.000 1.019 491 V HN 0.605 nan 8.190 nan 0.000 0.468 492 P HA 0.024 nan 4.420 nan 0.000 0.266 492 P C -0.259 177.127 177.300 0.144 0.000 1.193 492 P CA 0.078 63.239 63.100 0.102 0.000 0.770 492 P CB 1.341 33.075 31.700 0.057 0.000 0.836 493 Q N 0.544 120.427 119.800 0.138 0.000 2.281 493 Q HA 0.103 4.442 4.340 -0.001 0.000 0.215 493 Q C 0.670 176.760 176.000 0.151 0.000 0.867 493 Q CA 0.184 56.050 55.803 0.105 0.000 0.940 493 Q CB 0.235 28.953 28.738 -0.032 0.000 1.111 493 Q HN 0.645 nan 8.270 nan 0.000 0.513 494 S N -2.147 113.674 115.700 0.203 0.000 2.745 494 S HA 0.459 4.929 4.470 -0.001 0.000 0.306 494 S C 0.635 175.369 174.600 0.222 0.000 1.137 494 S CA -0.629 57.670 58.200 0.164 0.000 0.900 494 S CB 1.369 64.616 63.200 0.078 0.000 1.176 494 S HN -0.051 nan 8.310 nan 0.000 0.520 495 E N 0.565 120.865 120.200 0.167 0.000 2.076 495 E HA 0.010 4.360 4.350 -0.001 0.000 0.190 495 E C 1.584 178.231 176.600 0.078 0.000 0.979 495 E CA 1.581 58.063 56.400 0.137 0.000 0.807 495 E CB -0.350 29.419 29.700 0.115 0.000 0.761 495 E HN 0.755 nan 8.360 nan 0.000 0.454 496 E N -0.755 119.485 120.200 0.067 0.000 2.072 496 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 496 E C 2.067 178.694 176.600 0.045 0.000 0.985 496 E CA 1.673 58.103 56.400 0.050 0.000 0.801 496 E CB -0.419 29.306 29.700 0.041 0.000 0.750 496 E HN 0.118 nan 8.360 nan 0.000 0.452 497 T N 0.450 115.036 114.554 0.053 0.000 2.788 497 T HA -0.117 4.232 4.350 -0.001 0.000 0.268 497 T C 1.769 176.492 174.700 0.037 0.000 1.044 497 T CA 1.171 63.300 62.100 0.047 0.000 1.139 497 T CB -0.126 68.779 68.868 0.062 0.000 0.867 497 T HN 0.073 nan 8.240 nan 0.000 0.454 498 R N 0.636 121.155 120.500 0.032 0.000 2.081 498 R HA 0.026 4.366 4.340 -0.001 0.000 0.235 498 R C 2.719 179.014 176.300 -0.007 0.000 1.131 498 R CA 1.325 57.416 56.100 -0.014 0.000 0.960 498 R CB -0.361 29.898 30.300 -0.068 0.000 0.856 498 R HN 0.342 nan 8.270 nan 0.000 0.436 499 A N 0.542 123.367 122.820 0.009 0.000 1.930 499 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 499 A C 1.919 179.513 177.584 0.017 0.000 1.175 499 A CA 1.276 53.320 52.037 0.012 0.000 0.627 499 A CB -0.315 18.698 19.000 0.023 0.000 0.815 499 A HN 0.336 nan 8.150 nan 0.000 0.443 500 E N -0.258 119.955 120.200 0.023 0.000 2.110 500 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 500 E C 1.886 178.496 176.600 0.017 0.000 0.988 500 E CA 0.996 57.410 56.400 0.024 0.000 0.804 500 E CB -0.153 29.561 29.700 0.023 0.000 0.745 500 E HN 0.665 nan 8.360 nan 0.000 0.458 501 L N 0.139 121.371 121.223 0.016 0.000 2.023 501 L HA -0.125 4.214 4.340 -0.001 0.000 0.205 501 L C 2.678 179.551 176.870 0.006 0.000 1.073 501 L CA 1.358 56.208 54.840 0.018 0.000 0.745 501 L CB -0.590 41.485 42.059 0.027 0.000 0.900 501 L HN 0.208 nan 8.230 nan 0.000 0.435 502 S N -1.245 114.454 115.700 -0.002 0.000 2.453 502 S HA -0.158 4.311 4.470 -0.001 0.000 0.231 502 S C 1.827 176.421 174.600 -0.010 0.000 1.005 502 S CA 0.641 58.834 58.200 -0.012 0.000 0.949 502 S CB -0.098 63.092 63.200 -0.018 0.000 0.774 502 S HN 0.288 nan 8.310 nan 0.000 0.510 503 Q N -0.427 119.373 119.800 -0.000 0.000 2.384 503 Q HA 0.429 4.769 4.340 -0.001 0.000 0.207 503 Q C 1.095 177.096 176.000 0.002 0.000 0.904 503 Q CA 0.369 56.175 55.803 0.005 0.000 0.933 503 Q CB 0.282 29.031 28.738 0.018 0.000 1.077 503 Q HN 0.421 nan 8.270 nan 0.000 0.522 504 L N -2.512 118.709 121.223 -0.002 0.000 2.678 504 L HA 0.103 4.443 4.340 -0.001 0.000 0.211 504 L C 1.483 178.339 176.870 -0.023 0.000 1.043 504 L CA 0.717 55.550 54.840 -0.011 0.000 0.881 504 L CB -0.678 41.380 42.059 -0.003 0.000 1.361 504 L HN 0.104 nan 8.230 nan 0.000 0.484 505 C N 0.486 119.778 119.300 -0.014 0.000 2.533 505 C HA 0.484 4.944 4.460 -0.001 0.000 0.272 505 C C 1.562 176.531 174.990 -0.036 0.000 1.371 505 C CA -0.756 58.252 59.018 -0.016 0.000 1.758 505 C CB -0.925 26.824 27.740 0.015 0.000 1.972 505 C HN 0.401 nan 8.230 nan 0.000 0.522 506 A N 1.378 124.173 122.820 -0.041 0.000 2.608 506 A HA 0.163 4.482 4.320 -0.001 0.000 0.239 506 A C 1.465 178.976 177.584 -0.121 0.000 1.018 506 A CA 0.517 52.509 52.037 -0.074 0.000 0.766 506 A CB 0.176 19.140 19.000 -0.059 0.000 0.928 506 A HN 0.331 nan 8.150 nan 0.000 0.512 507 V N 4.497 124.289 119.914 -0.204 0.000 2.277 507 V HA -0.249 3.871 4.120 -0.001 0.000 0.253 507 V C -0.132 175.848 176.094 -0.190 0.000 1.067 507 V CA 2.887 65.030 62.300 -0.261 0.000 1.047 507 V CB -1.485 30.083 31.823 -0.425 0.000 0.649 507 V HN 0.855 nan 8.190 nan 0.000 0.447 508 P HA -0.121 nan 4.420 nan 0.000 0.216 508 P C 1.529 178.788 177.300 -0.068 0.000 1.150 508 P CA 1.267 64.315 63.100 -0.087 0.000 0.837 508 P CB -0.100 31.567 31.700 -0.054 0.000 0.786 509 L N -0.992 120.188 121.223 -0.073 0.000 2.650 509 L HA -0.023 4.317 4.340 -0.001 0.000 0.235 509 L C 1.710 178.534 176.870 -0.077 0.000 1.149 509 L CA 0.698 55.502 54.840 -0.062 0.000 0.887 509 L CB -0.506 41.522 42.059 -0.051 0.000 1.021 509 L HN 0.015 nan 8.230 nan 0.000 0.441 510 Q N -1.098 118.642 119.800 -0.099 0.000 2.245 510 Q HA 0.202 4.541 4.340 -0.001 0.000 0.236 510 Q C 2.121 178.058 176.000 -0.104 0.000 0.842 510 Q CA 0.089 55.822 55.803 -0.116 0.000 0.945 510 Q CB 0.778 29.420 28.738 -0.161 0.000 1.122 510 Q HN 0.463 nan 8.270 nan 0.000 0.506 511 I N 0.714 121.237 120.570 -0.079 0.000 2.103 511 I HA -0.250 3.919 4.170 -0.001 0.000 0.241 511 I C 0.741 176.866 176.117 0.012 0.000 1.036 511 I CA 1.323 62.608 61.300 -0.024 0.000 1.300 511 I CB -0.018 38.016 38.000 0.056 0.000 1.010 511 I HN -0.114 nan 8.210 nan 0.000 0.406 512 V N 1.835 121.761 119.914 0.019 0.000 2.353 512 V HA 0.134 4.254 4.120 -0.001 0.000 0.264 512 V C 0.237 176.330 176.094 -0.001 0.000 1.049 512 V CA -0.231 62.102 62.300 0.054 0.000 0.896 512 V CB 0.745 32.604 31.823 0.060 0.000 1.025 512 V HN 0.364 nan 8.190 nan 0.000 0.475 513 S N 7.550 123.253 115.700 0.005 0.000 2.608 513 S HA 0.528 4.997 4.470 -0.001 0.000 0.291 513 S C -1.268 173.359 174.600 0.045 0.000 1.146 513 S CA -1.513 56.679 58.200 -0.014 0.000 1.043 513 S CB 2.039 65.199 63.200 -0.066 0.000 1.037 513 S HN 0.537 nan 8.310 nan 0.000 0.520 514 P HA -0.089 nan 4.420 nan 0.000 0.233 514 P C 1.252 178.716 177.300 0.272 0.000 1.167 514 P CA 0.623 63.825 63.100 0.171 0.000 0.770 514 P CB 0.107 31.925 31.700 0.196 0.000 0.837 515 Q N 1.082 120.953 119.800 0.118 0.000 2.077 515 Q HA -0.111 4.229 4.340 -0.001 0.000 0.206 515 Q C 0.722 176.789 176.000 0.111 0.000 0.989 515 Q CA 1.905 57.730 55.803 0.037 0.000 0.853 515 Q CB -0.158 28.578 28.738 -0.004 0.000 0.907 515 Q HN 0.100 nan 8.270 nan 0.000 0.418 516 S N 0.837 116.605 115.700 0.114 0.000 2.902 516 S HA 0.111 4.581 4.470 -0.001 0.000 0.250 516 S C -0.752 173.999 174.600 0.251 0.000 1.046 516 S CA 0.059 58.354 58.200 0.157 0.000 1.069 516 S CB 0.116 63.426 63.200 0.182 0.000 0.967 516 S HN 0.723 nan 8.310 nan 0.000 0.530 517 N N 2.416 121.241 118.700 0.210 0.000 2.702 517 N HA -0.305 4.434 4.740 -0.001 0.000 0.261 517 N C -0.452 175.145 175.510 0.144 0.000 0.965 517 N CA 1.384 54.554 53.050 0.201 0.000 0.795 517 N CB -1.519 37.109 38.487 0.236 0.000 0.909 517 N HN 0.727 nan 8.380 nan 0.000 0.546 518 K N -4.323 116.115 120.400 0.064 0.000 2.607 518 K HA 0.571 4.891 4.320 -0.001 0.000 0.287 518 K C -3.406 173.161 176.600 -0.055 0.000 0.996 518 K CA -2.103 54.082 56.287 -0.170 0.000 0.876 518 K CB 1.393 33.782 32.500 -0.185 0.000 1.496 518 K HN -0.143 nan 8.250 nan 0.000 0.415 519 P HA 0.005 nan 4.420 nan 0.000 0.269 519 P C 0.508 177.818 177.300 0.016 0.000 1.215 519 P CA -0.438 62.683 63.100 0.036 0.000 0.780 519 P CB 0.397 32.146 31.700 0.081 0.000 0.898 520 C N -0.292 119.016 119.300 0.013 0.000 3.336 520 C HA 0.546 5.005 4.460 -0.001 0.000 0.291 520 C C 0.448 175.437 174.990 -0.003 0.000 1.363 520 C CA -0.438 58.577 59.018 -0.004 0.000 1.737 520 C CB -1.205 26.504 27.740 -0.052 0.000 2.274 520 C HN 0.362 nan 8.230 nan 0.000 0.663 521 M N 1.460 121.083 119.600 0.037 0.000 2.393 521 M HA 0.681 5.160 4.480 -0.001 0.000 0.299 521 M C 0.040 176.520 176.300 0.299 0.000 1.103 521 M CA 0.276 55.607 55.300 0.052 0.000 0.910 521 M CB 2.356 34.864 32.600 -0.154 0.000 1.659 521 M HN 0.457 nan 8.290 nan 0.000 0.445 522 G N 1.728 110.732 108.800 0.340 0.000 2.606 522 G HA2 0.671 4.630 3.960 -0.001 0.000 0.300 522 G HA3 0.671 4.630 3.960 -0.001 0.000 0.300 522 G C -1.775 173.325 174.900 0.333 0.000 1.360 522 G CA -0.808 44.521 45.100 0.381 0.000 0.783 522 G HN 0.489 nan 8.290 nan 0.000 0.484 523 I N 0.897 121.560 120.570 0.155 0.000 2.556 523 I HA 0.397 4.566 4.170 -0.001 0.000 0.284 523 I C 1.035 177.199 176.117 0.078 0.000 1.114 523 I CA 0.018 61.384 61.300 0.110 0.000 1.418 523 I CB 0.941 38.947 38.000 0.009 0.000 1.394 523 I HN 0.514 nan 8.210 nan 0.000 0.552 524 V N 3.454 123.419 119.914 0.084 0.000 3.184 524 V HA 0.582 4.701 4.120 -0.001 0.000 0.308 524 V C 0.684 176.804 176.094 0.043 0.000 1.243 524 V CA -0.684 61.651 62.300 0.059 0.000 1.058 524 V CB 1.011 32.877 31.823 0.071 0.000 1.183 524 V HN 0.828 nan 8.190 nan 0.000 0.471 525 Q N -0.137 119.686 119.800 0.038 0.000 2.656 525 Q HA -0.355 3.985 4.340 -0.001 0.000 0.471 525 Q C 1.427 177.428 176.000 0.003 0.000 0.510 525 Q CA 2.754 58.576 55.803 0.031 0.000 1.002 525 Q CB -1.543 27.230 28.738 0.059 0.000 2.019 525 Q HN 0.963 nan 8.270 nan 0.000 1.094 526 D N 0.091 120.500 120.400 0.015 0.000 2.087 526 D HA -0.103 4.537 4.640 -0.001 0.000 0.192 526 D C 2.043 178.329 176.300 -0.023 0.000 0.993 526 D CA 2.203 56.196 54.000 -0.011 0.000 0.828 526 D CB -0.728 40.078 40.800 0.010 0.000 0.968 526 D HN 0.528 nan 8.370 nan 0.000 0.448 527 T N 1.542 116.098 114.554 0.003 0.000 2.737 527 T HA -0.192 4.157 4.350 -0.001 0.000 0.269 527 T C 1.947 176.634 174.700 -0.023 0.000 1.040 527 T CA 0.873 62.974 62.100 0.001 0.000 1.142 527 T CB -0.387 68.493 68.868 0.021 0.000 0.861 527 T HN 0.030 nan 8.240 nan 0.000 0.456 528 L N 0.803 122.011 121.223 -0.025 0.000 2.027 528 L HA 0.050 4.390 4.340 -0.001 0.000 0.206 528 L C 2.705 179.526 176.870 -0.082 0.000 1.074 528 L CA 1.389 56.202 54.840 -0.044 0.000 0.745 528 L CB -1.181 40.862 42.059 -0.027 0.000 0.898 528 L HN 0.445 nan 8.230 nan 0.000 0.433 529 C N -0.117 119.111 119.300 -0.119 0.000 2.453 529 C HA -0.002 4.458 4.460 -0.001 0.000 0.277 529 C C 2.817 177.689 174.990 -0.197 0.000 1.262 529 C CA 0.830 59.709 59.018 -0.231 0.000 1.718 529 C CB -1.629 25.869 27.740 -0.404 0.000 2.031 529 C HN 0.687 nan 8.230 nan 0.000 0.480 530 G N -0.153 108.584 108.800 -0.106 0.000 2.443 530 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.219 530 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.219 530 G C 1.590 176.490 174.900 0.000 0.000 1.131 530 G CA 0.868 45.989 45.100 0.035 0.000 0.775 530 G HN 0.638 nan 8.290 nan 0.000 0.547 531 I N -0.143 120.388 120.570 -0.066 0.000 2.439 531 I HA -0.007 4.163 4.170 -0.001 0.000 0.251 531 I C 2.757 178.779 176.117 -0.157 0.000 1.139 531 I CA 0.724 61.952 61.300 -0.121 0.000 1.438 531 I CB -0.026 37.913 38.000 -0.101 0.000 1.085 531 I HN 0.147 nan 8.210 nan 0.000 0.427 532 R N 1.101 121.528 120.500 -0.122 0.000 2.075 532 R HA -0.175 4.164 4.340 -0.001 0.000 0.232 532 R C 2.139 178.364 176.300 -0.125 0.000 1.126 532 R CA 1.404 57.436 56.100 -0.113 0.000 0.963 532 R CB -0.074 30.174 30.300 -0.086 0.000 0.858 532 R HN 0.302 nan 8.270 nan 0.000 0.435 533 K N 0.454 120.794 120.400 -0.100 0.000 2.057 533 K HA -0.144 4.176 4.320 -0.001 0.000 0.206 533 K C 2.109 178.527 176.600 -0.303 0.000 1.050 533 K CA 1.120 57.375 56.287 -0.054 0.000 0.935 533 K CB -0.272 32.343 32.500 0.193 0.000 0.715 533 K HN 0.109 nan 8.250 nan 0.000 0.439 534 L N 1.521 122.373 121.223 -0.617 0.000 2.079 534 L HA -0.160 4.180 4.340 -0.001 0.000 0.210 534 L C 1.774 178.325 176.870 -0.532 0.000 1.081 534 L CA 1.907 56.159 54.840 -0.980 0.000 0.752 534 L CB -0.614 40.880 42.059 -0.941 0.000 0.896 534 L HN 0.124 nan 8.230 nan 0.000 0.433 535 T N -0.188 114.164 114.554 -0.337 0.000 3.088 535 T HA 0.115 4.464 4.350 -0.001 0.000 0.259 535 T C 0.915 175.503 174.700 -0.188 0.000 1.122 535 T CA -0.192 61.769 62.100 -0.232 0.000 1.095 535 T CB -0.450 68.316 68.868 -0.170 0.000 0.930 535 T HN 0.123 nan 8.240 nan 0.000 0.508 536 L N 1.667 122.780 121.223 -0.183 0.000 2.483 536 L HA 0.154 4.494 4.340 -0.001 0.000 0.276 536 L C 1.935 178.688 176.870 -0.195 0.000 1.213 536 L CA -0.355 54.403 54.840 -0.136 0.000 0.843 536 L CB 0.531 42.535 42.059 -0.092 0.000 1.107 536 L HN 0.051 nan 8.230 nan 0.000 0.487 537 R N 1.067 121.476 120.500 -0.152 0.000 2.094 537 R HA -0.170 4.170 4.340 -0.001 0.000 0.239 537 R C 1.238 177.302 176.300 -0.393 0.000 1.137 537 R CA 1.732 57.708 56.100 -0.206 0.000 0.943 537 R CB -0.252 30.009 30.300 -0.064 0.000 0.850 537 R HN 0.695 nan 8.270 nan 0.000 0.433 538 D N 0.366 120.657 120.400 -0.182 0.000 2.354 538 D HA -0.071 4.568 4.640 -0.001 0.000 0.216 538 D C 0.101 176.256 176.300 -0.241 0.000 0.970 538 D CA 0.997 54.948 54.000 -0.082 0.000 0.905 538 D CB -0.140 40.697 40.800 0.061 0.000 0.903 538 D HN 0.151 nan 8.370 nan 0.000 0.508 539 T N 1.360 115.671 114.554 -0.405 0.000 2.738 539 T HA 0.282 4.631 4.350 -0.001 0.000 0.294 539 T C 0.012 174.417 174.700 -0.491 0.000 0.914 539 T CA -0.141 61.787 62.100 -0.286 0.000 1.052 539 T CB -0.074 68.647 68.868 -0.246 0.000 0.897 539 T HN -0.158 nan 8.240 nan 0.000 0.522 540 F N 2.556 122.580 119.950 0.122 0.000 2.579 540 F HA 0.745 5.271 4.527 -0.001 0.000 0.324 540 F C -0.072 175.848 175.800 0.200 0.000 1.058 540 F CA -1.374 56.712 58.000 0.143 0.000 0.944 540 F CB 1.443 40.517 39.000 0.123 0.000 1.245 540 F HN 0.268 nan 8.300 nan 0.000 0.477 541 I N 0.434 121.265 120.570 0.435 0.000 2.686 541 I HA 0.294 4.464 4.170 -0.001 0.000 0.295 541 I C -0.770 175.566 176.117 0.366 0.000 1.114 541 I CA -0.702 60.807 61.300 0.349 0.000 1.038 541 I CB 2.099 40.260 38.000 0.268 0.000 1.238 541 I HN 0.523 nan 8.210 nan 0.000 0.420 542 E N 3.451 123.811 120.200 0.267 0.000 2.349 542 E HA 0.198 4.548 4.350 -0.001 0.000 0.262 542 E C 0.785 177.491 176.600 0.177 0.000 1.088 542 E CA -0.680 55.878 56.400 0.264 0.000 0.899 542 E CB 1.157 30.963 29.700 0.176 0.000 1.044 542 E HN 0.541 nan 8.360 nan 0.000 0.420 543 L N 3.202 124.575 121.223 0.249 0.000 2.030 543 L HA -0.328 4.012 4.340 -0.001 0.000 0.222 543 L C 1.903 178.738 176.870 -0.058 0.000 1.082 543 L CA 2.640 57.510 54.840 0.050 0.000 0.785 543 L CB -0.767 41.425 42.059 0.223 0.000 0.895 543 L HN 0.827 nan 8.230 nan 0.000 0.439 544 D N -0.995 119.417 120.400 0.019 0.000 2.133 544 D HA -0.352 4.288 4.640 -0.001 0.000 0.192 544 D C 1.986 178.282 176.300 -0.006 0.000 1.001 544 D CA 2.309 56.313 54.000 0.006 0.000 0.844 544 D CB -0.583 40.234 40.800 0.027 0.000 0.944 544 D HN 0.751 nan 8.370 nan 0.000 0.447 545 Q N 0.089 119.897 119.800 0.013 0.000 2.163 545 Q HA -0.018 4.322 4.340 -0.001 0.000 0.198 545 Q C 2.497 178.491 176.000 -0.009 0.000 0.954 545 Q CA 0.502 56.344 55.803 0.065 0.000 0.851 545 Q CB 0.279 29.088 28.738 0.118 0.000 0.928 545 Q HN 0.169 nan 8.270 nan 0.000 0.459 546 V N 1.434 121.250 119.914 -0.164 0.000 2.324 546 V HA -0.314 3.805 4.120 -0.001 0.000 0.250 546 V C 2.291 178.152 176.094 -0.389 0.000 1.060 546 V CA 1.595 63.667 62.300 -0.381 0.000 1.042 546 V CB -0.594 30.683 31.823 -0.911 0.000 0.650 546 V HN 0.414 nan 8.190 nan 0.000 0.450 547 L N -0.129 120.902 121.223 -0.321 0.000 2.046 547 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 547 L C 2.526 179.247 176.870 -0.249 0.000 1.077 547 L CA 1.515 56.179 54.840 -0.293 0.000 0.747 547 L CB -0.757 41.197 42.059 -0.175 0.000 0.896 547 L HN 0.381 nan 8.230 nan 0.000 0.432 548 N N -0.026 118.589 118.700 -0.140 0.000 2.120 548 N HA -0.142 4.597 4.740 -0.001 0.000 0.188 548 N C 1.934 177.303 175.510 -0.234 0.000 1.024 548 N CA 1.359 54.339 53.050 -0.117 0.000 0.852 548 N CB -0.109 38.384 38.487 0.011 0.000 1.003 548 N HN 0.294 nan 8.380 nan 0.000 0.424 549 M N 0.374 119.838 119.600 -0.227 0.000 2.086 549 M HA -0.136 4.344 4.480 -0.001 0.000 0.261 549 M C 2.162 178.306 176.300 -0.260 0.000 1.067 549 M CA 1.203 56.379 55.300 -0.206 0.000 1.116 549 M CB -0.457 32.111 32.600 -0.054 0.000 1.348 549 M HN 0.099 nan 8.290 nan 0.000 0.407 550 L N -1.194 119.757 121.223 -0.453 0.000 1.989 550 L HA -0.273 4.067 4.340 -0.001 0.000 0.211 550 L C 2.622 179.078 176.870 -0.690 0.000 1.071 550 L CA 1.526 55.860 54.840 -0.843 0.000 0.749 550 L CB -0.861 40.335 42.059 -1.439 0.000 0.890 550 L HN 0.246 nan 8.230 nan 0.000 0.431 551 Y N -0.993 118.924 120.300 -0.638 0.000 2.333 551 Y HA -0.264 4.285 4.550 -0.001 0.000 0.290 551 Y C 2.026 177.770 175.900 -0.261 0.000 1.144 551 Y CA 0.796 58.677 58.100 -0.364 0.000 1.228 551 Y CB -0.526 37.752 38.460 -0.303 0.000 0.985 551 Y HN 0.127 nan 8.280 nan 0.000 0.542 552 W N -0.261 120.792 121.300 -0.412 0.000 2.425 552 W HA -0.017 4.643 4.660 -0.001 0.000 0.277 552 W C 0.496 176.852 176.519 -0.272 0.000 1.231 552 W CA 0.915 58.016 57.345 -0.407 0.000 1.248 552 W CB -0.089 29.115 29.460 -0.426 0.000 1.117 552 W HN -0.342 nan 8.180 nan 0.000 0.568 553 V N 4.130 124.044 119.914 -0.000 0.000 2.356 553 V HA 0.002 4.122 4.120 -0.001 0.000 0.258 553 V C -0.841 175.291 176.094 0.063 0.000 1.065 553 V CA -0.926 61.400 62.300 0.043 0.000 0.935 553 V CB 0.489 32.339 31.823 0.045 0.000 1.061 553 V HN -0.067 nan 8.190 nan 0.000 0.484 554 P HA -0.135 nan 4.420 nan 0.000 0.221 554 P C 0.507 177.861 177.300 0.089 0.000 1.145 554 P CA 1.127 64.242 63.100 0.025 0.000 0.795 554 P CB 0.411 32.108 31.700 -0.005 0.000 0.775 555 D N -1.738 118.727 120.400 0.109 0.000 2.336 555 D HA 0.007 4.647 4.640 -0.001 0.000 0.228 555 D C 0.216 176.614 176.300 0.162 0.000 1.120 555 D CA -0.190 53.871 54.000 0.103 0.000 0.839 555 D CB -0.385 40.459 40.800 0.074 0.000 0.932 555 D HN 0.220 nan 8.370 nan 0.000 0.509 556 W N 3.088 124.394 121.300 0.009 0.000 2.238 556 W HA 0.082 4.742 4.660 -0.001 0.000 0.321 556 W C 0.456 176.989 176.519 0.023 0.000 1.293 556 W CA -0.818 56.539 57.345 0.019 0.000 1.204 556 W CB 0.740 30.219 29.460 0.032 0.000 1.167 556 W HN -0.094 nan 8.180 nan 0.000 0.553 557 D N 2.685 122.785 120.400 -0.501 0.000 2.370 557 D HA 0.185 4.824 4.640 -0.001 0.000 0.230 557 D C 1.583 177.339 176.300 -0.907 0.000 1.143 557 D CA 0.236 53.919 54.000 -0.529 0.000 0.834 557 D CB -0.250 40.368 40.800 -0.303 0.000 0.944 557 D HN 0.736 nan 8.370 nan 0.000 0.504 558 G N -0.411 107.267 108.800 -1.870 0.000 2.180 558 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.263 558 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.263 558 G C 0.184 174.417 174.900 -1.113 0.000 0.989 558 G CA 0.446 44.404 45.100 -1.903 0.000 0.692 558 G HN 0.432 nan 8.290 nan 0.000 0.526 559 V N 2.111 121.517 119.914 -0.846 0.000 2.288 559 V HA 0.355 4.475 4.120 -0.001 0.000 0.266 559 V C 1.055 177.284 176.094 0.223 0.000 1.048 559 V CA -0.754 61.437 62.300 -0.182 0.000 0.842 559 V CB 0.912 32.663 31.823 -0.120 0.000 1.064 559 V HN 0.343 nan 8.190 nan 0.000 0.472 560 I N 8.803 129.601 120.570 0.381 0.000 2.752 560 I HA 0.068 4.238 4.170 -0.001 0.000 0.286 560 I C -1.237 175.111 176.117 0.385 0.000 1.180 560 I CA -0.848 60.735 61.300 0.471 0.000 1.404 560 I CB 0.441 38.665 38.000 0.373 0.000 1.389 560 I HN 0.437 nan 8.210 nan 0.000 0.549 561 P HA 0.042 nan 4.420 nan 0.000 0.269 561 P C -0.348 177.233 177.300 0.467 0.000 1.209 561 P CA -0.279 63.052 63.100 0.386 0.000 0.776 561 P CB 0.462 32.386 31.700 0.373 0.000 0.876 562 T N 4.303 118.999 114.554 0.236 0.000 2.870 562 T HA 0.200 4.550 4.350 -0.001 0.000 0.300 562 T C -2.023 172.594 174.700 -0.139 0.000 0.989 562 T CA -0.544 61.597 62.100 0.069 0.000 1.139 562 T CB -0.423 68.455 68.868 0.017 0.000 0.920 562 T HN 0.360 nan 8.240 nan 0.000 0.537 563 P HA 0.085 nan 4.420 nan 0.000 0.267 563 P C 0.082 177.117 177.300 -0.442 0.000 1.201 563 P CA -0.093 62.343 63.100 -1.106 0.000 0.775 563 P CB 0.401 31.349 31.700 -1.254 0.000 0.854 564 A N 2.647 125.298 122.820 -0.283 0.000 2.238 564 A HA 0.135 4.455 4.320 -0.001 0.000 0.208 564 A C 0.715 178.243 177.584 -0.093 0.000 1.177 564 A CA 0.881 52.872 52.037 -0.077 0.000 0.804 564 A CB -0.615 18.425 19.000 0.067 0.000 0.823 564 A HN 0.489 nan 8.150 nan 0.000 0.482 565 I N -0.853 119.601 120.570 -0.192 0.000 2.607 565 I HA 0.331 4.500 4.170 -0.001 0.000 0.290 565 I C 0.009 175.992 176.117 -0.224 0.000 1.129 565 I CA -0.302 60.892 61.300 -0.177 0.000 1.042 565 I CB 2.232 40.119 38.000 -0.188 0.000 1.242 565 I HN 0.075 nan 8.210 nan 0.000 0.421 566 I N 4.478 124.951 120.570 -0.161 0.000 4.471 566 I HA 0.036 4.205 4.170 -0.001 0.000 0.326 566 I C 1.683 177.740 176.117 -0.100 0.000 1.300 566 I CA -0.208 61.005 61.300 -0.145 0.000 1.237 566 I CB -0.025 37.906 38.000 -0.116 0.000 1.195 566 I HN 0.556 nan 8.210 nan 0.000 0.427 567 K N 3.357 123.703 120.400 -0.090 0.000 2.583 567 K HA -0.113 4.207 4.320 -0.001 0.000 0.234 567 K C -0.993 175.572 176.600 -0.059 0.000 0.679 567 K CA 0.603 56.849 56.287 -0.068 0.000 0.855 567 K CB -2.201 30.257 32.500 -0.069 0.000 0.335 567 K HN -0.012 nan 8.250 nan 0.000 1.043 568 P HA -0.088 nan 4.420 nan 0.000 0.231 568 P C -0.488 176.790 177.300 -0.037 0.000 1.158 568 P CA 1.267 64.342 63.100 -0.041 0.000 0.763 568 P CB 0.221 31.898 31.700 -0.038 0.000 0.805 569 K N 0.488 120.856 120.400 -0.054 0.000 2.575 569 K HA 0.268 4.588 4.320 -0.001 0.000 0.255 569 K C -3.028 173.530 176.600 -0.070 0.000 0.953 569 K CA -1.889 54.375 56.287 -0.039 0.000 0.840 569 K CB 2.265 34.750 32.500 -0.024 0.000 1.303 569 K HN -0.273 nan 8.250 nan 0.000 0.438 570 P HA 0.044 nan 4.420 nan 0.000 0.266 570 P C -0.979 176.233 177.300 -0.147 0.000 1.419 570 P CA -0.314 62.677 63.100 -0.182 0.000 1.112 570 P CB 0.250 31.873 31.700 -0.128 0.000 1.438 571 L N 4.701 125.819 121.223 -0.175 0.000 2.325 571 L HA 0.527 4.867 4.340 -0.001 0.000 0.278 571 L C 0.062 176.956 176.870 0.041 0.000 1.023 571 L CA -0.499 54.364 54.840 0.037 0.000 0.811 571 L CB 0.938 42.969 42.059 -0.046 0.000 1.249 571 L HN 0.353 nan 8.230 nan 0.000 0.431 572 W N 1.253 122.662 121.300 0.182 0.000 2.594 572 W HA 0.542 5.202 4.660 -0.001 0.000 0.365 572 W C 0.022 176.694 176.519 0.255 0.000 1.196 572 W CA -0.618 56.836 57.345 0.181 0.000 1.258 572 W CB 1.997 31.525 29.460 0.113 0.000 1.405 572 W HN 0.382 nan 8.180 nan 0.000 0.640 573 S N -0.569 115.365 115.700 0.390 0.000 2.568 573 S HA 0.486 4.956 4.470 -0.001 0.000 0.302 573 S C 0.824 175.430 174.600 0.010 0.000 1.082 573 S CA 0.110 58.376 58.200 0.110 0.000 1.009 573 S CB 1.419 64.643 63.200 0.040 0.000 1.069 573 S HN 0.602 nan 8.310 nan 0.000 0.500 574 G N 2.882 111.583 108.800 -0.165 0.000 2.459 574 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 574 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 574 G C 1.216 176.005 174.900 -0.184 0.000 1.183 574 G CA 0.864 45.805 45.100 -0.264 0.000 0.776 574 G HN 0.806 nan 8.290 nan 0.000 0.552 575 K N 0.072 120.381 120.400 -0.152 0.000 2.074 575 K HA -0.180 4.139 4.320 -0.001 0.000 0.209 575 K C 2.659 179.236 176.600 -0.039 0.000 1.048 575 K CA 1.514 57.741 56.287 -0.100 0.000 0.926 575 K CB -0.275 32.179 32.500 -0.077 0.000 0.713 575 K HN 0.378 nan 8.250 nan 0.000 0.444 576 Q N 0.541 120.354 119.800 0.021 0.000 2.045 576 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 576 Q C 2.284 178.326 176.000 0.071 0.000 0.991 576 Q CA 2.086 57.947 55.803 0.096 0.000 0.851 576 Q CB -0.370 28.507 28.738 0.232 0.000 0.911 576 Q HN 0.500 nan 8.270 nan 0.000 0.418 577 I N -1.790 118.794 120.570 0.023 0.000 2.353 577 I HA -0.173 3.997 4.170 -0.001 0.000 0.248 577 I C 2.220 178.304 176.117 -0.054 0.000 1.119 577 I CA 0.574 61.850 61.300 -0.040 0.000 1.417 577 I CB -0.420 37.524 38.000 -0.093 0.000 1.078 577 I HN 0.092 nan 8.210 nan 0.000 0.421 578 L N 1.480 122.658 121.223 -0.075 0.000 2.079 578 L HA -0.165 4.175 4.340 -0.001 0.000 0.210 578 L C 2.520 179.359 176.870 -0.051 0.000 1.081 578 L CA 1.865 56.656 54.840 -0.082 0.000 0.752 578 L CB -0.772 41.217 42.059 -0.116 0.000 0.896 578 L HN 0.240 nan 8.230 nan 0.000 0.433 579 S N -1.170 114.511 115.700 -0.032 0.000 2.440 579 S HA -0.148 4.322 4.470 -0.001 0.000 0.238 579 S C 1.960 176.569 174.600 0.014 0.000 1.010 579 S CA 1.202 59.394 58.200 -0.014 0.000 0.972 579 S CB -0.512 62.690 63.200 0.002 0.000 0.774 579 S HN 0.388 nan 8.310 nan 0.000 0.501 580 V N 1.848 121.782 119.914 0.032 0.000 2.490 580 V HA -0.210 3.910 4.120 -0.001 0.000 0.250 580 V C 2.594 178.725 176.094 0.061 0.000 1.061 580 V CA 1.611 63.960 62.300 0.082 0.000 1.064 580 V CB -1.275 30.592 31.823 0.074 0.000 0.670 580 V HN 0.565 nan 8.190 nan 0.000 0.461 581 A N -0.261 122.568 122.820 0.015 0.000 1.929 581 A HA 0.064 4.384 4.320 -0.001 0.000 0.216 581 A C 1.236 178.814 177.584 -0.010 0.000 1.176 581 A CA 0.656 52.695 52.037 0.004 0.000 0.628 581 A CB -0.380 18.607 19.000 -0.022 0.000 0.816 581 A HN 0.499 nan 8.150 nan 0.000 0.444 582 I N 2.546 123.099 120.570 -0.028 0.000 2.533 582 I HA 0.127 4.296 4.170 -0.001 0.000 0.284 582 I C -1.905 174.193 176.117 -0.032 0.000 1.109 582 I CA -1.841 59.431 61.300 -0.047 0.000 1.412 582 I CB 0.972 38.932 38.000 -0.067 0.000 1.396 582 I HN 0.212 nan 8.210 nan 0.000 0.543 583 P HA 0.076 nan 4.420 nan 0.000 0.274 583 P C -1.063 176.207 177.300 -0.050 0.000 1.237 583 P CA -0.490 62.594 63.100 -0.027 0.000 0.793 583 P CB 0.531 32.218 31.700 -0.022 0.000 0.977 584 N N 0.134 118.811 118.700 -0.039 0.000 2.479 584 N HA 0.232 4.971 4.740 -0.001 0.000 0.257 584 N C 1.419 176.881 175.510 -0.080 0.000 1.232 584 N CA 0.971 53.987 53.050 -0.057 0.000 0.920 584 N CB -0.286 38.182 38.487 -0.032 0.000 1.105 584 N HN 0.815 nan 8.380 nan 0.000 0.444 585 G N 0.086 108.807 108.800 -0.132 0.000 2.131 585 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.223 585 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.223 585 G C -0.291 174.466 174.900 -0.238 0.000 0.990 585 G CA -0.391 44.633 45.100 -0.127 0.000 0.671 585 G HN 0.457 nan 8.290 nan 0.000 0.521 586 I N 1.695 122.036 120.570 -0.383 0.000 2.412 586 I HA 0.524 4.694 4.170 -0.001 0.000 0.296 586 I C 0.028 175.762 176.117 -0.639 0.000 0.987 586 I CA -0.828 60.266 61.300 -0.344 0.000 1.180 586 I CB 1.288 39.175 38.000 -0.189 0.000 1.340 586 I HN 0.091 nan 8.210 nan 0.000 0.455 587 H N 6.165 125.227 119.070 -0.013 0.000 2.679 587 H HA 0.565 5.120 4.556 -0.001 0.000 0.360 587 H C -1.300 174.013 175.328 -0.025 0.000 1.105 587 H CA -0.747 55.291 56.048 -0.016 0.000 1.196 587 H CB 3.137 32.903 29.762 0.006 0.000 1.636 587 H HN 0.314 nan 8.280 nan 0.000 0.531 588 L N 2.853 124.101 121.223 0.041 0.000 2.620 588 L HA 0.211 4.550 4.340 -0.001 0.000 0.261 588 L C -0.951 175.878 176.870 -0.069 0.000 0.978 588 L CA -0.108 54.724 54.840 -0.014 0.000 0.897 588 L CB 1.466 43.488 42.059 -0.062 0.000 1.207 588 L HN 0.556 nan 8.230 nan 0.000 0.425 589 Q N 4.019 123.808 119.800 -0.018 0.000 2.271 589 Q HA 0.624 4.964 4.340 -0.001 0.000 0.258 589 Q C -0.809 175.165 176.000 -0.043 0.000 0.936 589 Q CA -0.631 55.135 55.803 -0.062 0.000 0.909 589 Q CB 2.669 31.480 28.738 0.121 0.000 1.253 589 Q HN 0.508 nan 8.270 nan 0.000 0.440 590 R N 2.752 123.128 120.500 -0.207 0.000 2.518 590 R HA 0.341 4.681 4.340 -0.001 0.000 0.287 590 R C -1.823 174.359 176.300 -0.196 0.000 1.135 590 R CA -0.355 55.696 56.100 -0.082 0.000 0.967 590 R CB 0.855 31.104 30.300 -0.085 0.000 1.212 590 R HN 0.407 nan 8.270 nan 0.000 0.422 591 F N 3.038 123.014 119.950 0.043 0.000 2.415 591 F HA 0.374 4.900 4.527 -0.001 0.000 0.348 591 F C 0.647 176.474 175.800 0.045 0.000 1.119 591 F CA -0.310 57.733 58.000 0.072 0.000 1.069 591 F CB 1.275 40.317 39.000 0.071 0.000 1.124 591 F HN 0.371 nan 8.300 nan 0.000 0.472 592 D N 1.710 122.210 120.400 0.167 0.000 2.539 592 D HA 0.162 4.801 4.640 -0.001 0.000 0.280 592 D C 1.205 177.569 176.300 0.107 0.000 1.208 592 D CA -0.398 53.665 54.000 0.104 0.000 1.088 592 D CB 0.436 41.270 40.800 0.057 0.000 1.149 592 D HN 0.535 nan 8.370 nan 0.000 0.596 593 E N 0.267 120.505 120.200 0.064 0.000 2.144 593 E HA -0.230 4.120 4.350 -0.001 0.000 0.243 593 E C 1.325 177.962 176.600 0.062 0.000 1.043 593 E CA 1.929 58.358 56.400 0.050 0.000 0.952 593 E CB -0.328 29.390 29.700 0.029 0.000 0.849 593 E HN 0.542 nan 8.360 nan 0.000 0.522 594 G N 0.106 108.940 108.800 0.056 0.000 3.605 594 G HA2 0.074 4.034 3.960 -0.001 0.000 0.277 594 G HA3 0.074 4.034 3.960 -0.001 0.000 0.277 594 G C -0.286 174.660 174.900 0.076 0.000 1.093 594 G CA -0.202 44.931 45.100 0.055 0.000 0.821 594 G HN 0.056 nan 8.290 nan 0.000 0.532 595 T N 2.149 116.776 114.554 0.121 0.000 2.871 595 T HA 0.348 4.698 4.350 -0.001 0.000 0.296 595 T C 0.488 175.318 174.700 0.216 0.000 0.998 595 T CA 0.571 62.758 62.100 0.145 0.000 1.162 595 T CB 0.865 69.844 68.868 0.184 0.000 0.947 595 T HN 0.221 nan 8.240 nan 0.000 0.536 596 T N 2.281 116.878 114.554 0.072 0.000 2.858 596 T HA 0.406 4.756 4.350 -0.001 0.000 0.285 596 T C 1.295 175.954 174.700 -0.068 0.000 1.052 596 T CA -1.029 61.122 62.100 0.084 0.000 1.009 596 T CB 0.917 69.786 68.868 0.002 0.000 1.241 596 T HN 0.263 nan 8.240 nan 0.000 0.542 597 L N -0.109 121.113 121.223 -0.002 0.000 2.549 597 L HA 0.208 4.548 4.340 -0.001 0.000 0.229 597 L C 1.211 177.869 176.870 -0.353 0.000 1.158 597 L CA 1.291 56.071 54.840 -0.100 0.000 0.842 597 L CB -0.725 41.361 42.059 0.044 0.000 0.952 597 L HN 0.408 nan 8.230 nan 0.000 0.452 598 L N -0.192 120.842 121.223 -0.315 0.000 3.255 598 L HA 0.210 4.550 4.340 -0.001 0.000 0.293 598 L C 0.573 177.267 176.870 -0.295 0.000 1.302 598 L CA -0.427 54.238 54.840 -0.291 0.000 0.977 598 L CB 0.323 42.299 42.059 -0.139 0.000 1.390 598 L HN 0.173 nan 8.230 nan 0.000 0.588 599 S N 0.372 115.801 115.700 -0.451 0.000 3.712 599 S HA -0.045 4.424 4.470 -0.001 0.000 0.442 599 S C -1.004 173.503 174.600 -0.155 0.000 1.086 599 S CA -0.832 57.209 58.200 -0.265 0.000 1.356 599 S CB -0.278 62.759 63.200 -0.272 0.000 0.876 599 S HN 0.292 nan 8.310 nan 0.000 0.547 600 P HA -0.150 nan 4.420 nan 0.000 0.215 600 P C 0.789 178.072 177.300 -0.028 0.000 1.153 600 P CA 1.270 64.340 63.100 -0.051 0.000 0.853 600 P CB 0.060 31.741 31.700 -0.032 0.000 0.788 601 K N -0.743 119.647 120.400 -0.017 0.000 2.555 601 K HA -0.070 4.249 4.320 -0.001 0.000 0.193 601 K C 0.365 176.970 176.600 0.009 0.000 1.032 601 K CA 0.548 56.835 56.287 0.000 0.000 1.004 601 K CB -0.610 31.895 32.500 0.008 0.000 0.804 601 K HN 0.005 nan 8.250 nan 0.000 0.496 602 D N 0.646 121.050 120.400 0.007 0.000 2.800 602 D HA -0.163 4.476 4.640 -0.001 0.000 0.232 602 D C -0.546 175.804 176.300 0.084 0.000 1.137 602 D CA 0.365 54.392 54.000 0.047 0.000 0.718 602 D CB -1.237 39.577 40.800 0.023 0.000 1.084 602 D HN 0.173 nan 8.370 nan 0.000 0.432 603 N N -0.238 118.514 118.700 0.086 0.000 2.327 603 N HA 0.556 5.296 4.740 -0.001 0.000 0.257 603 N C 1.295 176.902 175.510 0.162 0.000 1.281 603 N CA 1.073 54.176 53.050 0.089 0.000 0.942 603 N CB 0.281 38.807 38.487 0.064 0.000 1.199 603 N HN 0.488 nan 8.380 nan 0.000 0.532 604 G N -0.161 108.682 108.800 0.071 0.000 2.591 604 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.278 604 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.278 604 G C -0.449 174.351 174.900 -0.167 0.000 1.293 604 G CA 0.775 45.860 45.100 -0.026 0.000 0.930 604 G HN 0.726 nan 8.290 nan 0.000 0.562 605 M N -1.536 117.813 119.600 -0.418 0.000 2.465 605 M HA 0.773 5.253 4.480 -0.001 0.000 0.284 605 M C -1.891 173.939 176.300 -0.784 0.000 1.212 605 M CA -0.825 54.157 55.300 -0.530 0.000 0.910 605 M CB 1.987 34.415 32.600 -0.288 0.000 1.725 605 M HN 1.575 nan 8.290 nan 0.000 0.477 606 L N 5.717 126.459 121.223 -0.803 0.000 2.666 606 L HA 0.646 4.985 4.340 -0.001 0.000 0.258 606 L C -2.180 174.497 176.870 -0.321 0.000 0.991 606 L CA 0.093 54.560 54.840 -0.621 0.000 0.916 606 L CB 1.134 42.629 42.059 -0.939 0.000 1.199 606 L HN 0.736 nan 8.230 nan 0.000 0.439 607 I N 5.712 126.172 120.570 -0.183 0.000 2.330 607 I HA 0.461 4.630 4.170 -0.001 0.000 0.289 607 I C -0.444 175.647 176.117 -0.042 0.000 1.001 607 I CA -0.315 60.915 61.300 -0.117 0.000 1.193 607 I CB 1.350 39.273 38.000 -0.128 0.000 1.345 607 I HN 0.440 nan 8.210 nan 0.000 0.461 608 I N 5.664 126.234 120.570 -0.001 0.000 2.378 608 I HA 0.240 4.410 4.170 -0.001 0.000 0.291 608 I C 0.050 176.157 176.117 -0.016 0.000 0.992 608 I CA -0.446 60.923 61.300 0.115 0.000 1.154 608 I CB 1.427 39.530 38.000 0.171 0.000 1.315 608 I HN 0.596 nan 8.210 nan 0.000 0.448 609 D N 5.459 125.739 120.400 -0.200 0.000 2.689 609 D HA -0.191 4.448 4.640 -0.001 0.000 0.237 609 D C 1.001 177.218 176.300 -0.139 0.000 1.148 609 D CA 1.507 55.410 54.000 -0.162 0.000 0.656 609 D CB -0.776 40.046 40.800 0.037 0.000 1.050 609 D HN 1.126 nan 8.370 nan 0.000 0.426 610 G N -0.045 108.634 108.800 -0.201 0.000 2.198 610 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.260 610 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.260 610 G C -0.151 174.712 174.900 -0.063 0.000 1.025 610 G CA 0.588 45.618 45.100 -0.117 0.000 0.769 610 G HN 0.513 nan 8.290 nan 0.000 0.507 611 Q N -0.597 119.169 119.800 -0.057 0.000 2.274 611 Q HA 0.403 4.743 4.340 -0.001 0.000 0.268 611 Q C 0.064 176.041 176.000 -0.039 0.000 1.015 611 Q CA -0.795 54.993 55.803 -0.024 0.000 0.775 611 Q CB 2.331 31.075 28.738 0.011 0.000 1.256 611 Q HN 0.615 nan 8.270 nan 0.000 0.442 612 I N 3.328 123.868 120.570 -0.050 0.000 2.533 612 I HA -0.042 4.128 4.170 -0.001 0.000 0.284 612 I C 0.202 176.294 176.117 -0.042 0.000 1.109 612 I CA -0.050 61.203 61.300 -0.078 0.000 1.412 612 I CB 0.417 38.362 38.000 -0.092 0.000 1.396 612 I HN 0.581 nan 8.210 nan 0.000 0.543 613 I N 7.905 128.439 120.570 -0.061 0.000 2.556 613 I HA 0.139 4.308 4.170 -0.001 0.000 0.251 613 I C 0.360 176.564 176.117 0.144 0.000 1.105 613 I CA 1.062 62.388 61.300 0.042 0.000 1.436 613 I CB -0.834 37.214 38.000 0.081 0.000 1.139 613 I HN 0.654 nan 8.210 nan 0.000 0.438 614 F N -0.253 119.665 119.950 -0.053 0.000 2.665 614 F HA 0.712 5.239 4.527 -0.001 0.000 0.308 614 F C -0.431 175.317 175.800 -0.086 0.000 1.112 614 F CA -0.956 57.005 58.000 -0.064 0.000 0.972 614 F CB 1.023 39.988 39.000 -0.059 0.000 1.295 614 F HN 0.137 nan 8.300 nan 0.000 0.440 615 G N 1.205 110.122 108.800 0.195 0.000 2.742 615 G HA2 0.283 4.243 3.960 -0.001 0.000 0.686 615 G HA3 0.283 4.243 3.960 -0.001 0.000 0.686 615 G C -1.712 173.171 174.900 -0.027 0.000 1.220 615 G CA -0.690 44.453 45.100 0.071 0.000 0.783 615 G HN 1.200 nan 8.290 nan 0.000 0.646 616 V N 1.817 121.714 119.914 -0.027 0.000 2.572 616 V HA 0.344 4.463 4.120 -0.001 0.000 0.291 616 V C 1.244 177.290 176.094 -0.079 0.000 1.039 616 V CA -0.504 61.760 62.300 -0.061 0.000 1.055 616 V CB 1.467 33.262 31.823 -0.048 0.000 0.969 616 V HN 0.806 nan 8.190 nan 0.000 0.482 617 V N 6.166 126.019 119.914 -0.101 0.000 2.455 617 V HA 0.409 4.528 4.120 -0.001 0.000 0.273 617 V C 0.188 176.228 176.094 -0.091 0.000 1.045 617 V CA 0.016 62.254 62.300 -0.104 0.000 0.976 617 V CB 0.771 32.523 31.823 -0.119 0.000 0.993 617 V HN 1.182 nan 8.190 nan 0.000 0.475 618 E N 3.308 123.462 120.200 -0.078 0.000 2.350 618 E HA 0.373 4.723 4.350 -0.001 0.000 0.243 618 E C 0.758 177.325 176.600 -0.055 0.000 0.959 618 E CA -0.866 55.496 56.400 -0.064 0.000 0.883 618 E CB 0.469 30.138 29.700 -0.052 0.000 1.820 618 E HN 0.095 nan 8.360 nan 0.000 0.441 619 K N 0.359 120.735 120.400 -0.042 0.000 2.089 619 K HA -0.235 4.085 4.320 -0.001 0.000 0.210 619 K C 1.666 178.244 176.600 -0.037 0.000 1.048 619 K CA 2.172 58.440 56.287 -0.032 0.000 0.926 619 K CB -0.152 32.337 32.500 -0.020 0.000 0.714 619 K HN 0.388 nan 8.250 nan 0.000 0.448 620 K N -0.738 119.639 120.400 -0.038 0.000 2.074 620 K HA -0.133 4.187 4.320 -0.001 0.000 0.209 620 K C 1.948 178.517 176.600 -0.052 0.000 1.048 620 K CA 2.131 58.393 56.287 -0.041 0.000 0.926 620 K CB -0.020 32.457 32.500 -0.039 0.000 0.713 620 K HN 0.294 nan 8.250 nan 0.000 0.444 621 T N -0.593 113.923 114.554 -0.063 0.000 2.983 621 T HA 0.006 4.356 4.350 -0.001 0.000 0.250 621 T C 1.679 176.331 174.700 -0.081 0.000 1.037 621 T CA 0.439 62.493 62.100 -0.076 0.000 1.142 621 T CB 0.322 69.132 68.868 -0.096 0.000 0.876 621 T HN -0.063 nan 8.240 nan 0.000 0.455 622 V N 1.090 120.955 119.914 -0.081 0.000 3.660 622 V HA 0.366 4.486 4.120 -0.001 0.000 0.276 622 V C 1.507 177.558 176.094 -0.072 0.000 1.317 622 V CA 0.194 62.436 62.300 -0.098 0.000 1.097 622 V CB -0.266 31.494 31.823 -0.105 0.000 0.863 622 V HN 0.493 nan 8.190 nan 0.000 0.438 623 G N -0.057 108.717 108.800 -0.043 0.000 2.611 623 G HA2 0.134 4.094 3.960 -0.001 0.000 0.273 623 G HA3 0.134 4.094 3.960 -0.001 0.000 0.273 623 G C 1.055 175.953 174.900 -0.003 0.000 1.305 623 G CA 0.472 45.564 45.100 -0.013 0.000 1.010 623 G HN 0.496 nan 8.290 nan 0.000 0.509 624 S N -0.872 114.839 115.700 0.018 0.000 2.786 624 S HA 0.074 4.544 4.470 -0.001 0.000 0.223 624 S C 1.208 175.792 174.600 -0.026 0.000 0.956 624 S CA 0.391 58.604 58.200 0.021 0.000 0.961 624 S CB -1.132 62.089 63.200 0.035 0.000 0.784 624 S HN 0.993 nan 8.310 nan 0.000 0.519 625 S N 1.398 117.076 115.700 -0.038 0.000 2.550 625 S HA 0.023 4.493 4.470 -0.001 0.000 0.285 625 S C 1.116 175.643 174.600 -0.121 0.000 1.326 625 S CA -0.363 57.799 58.200 -0.064 0.000 1.037 625 S CB 0.186 63.355 63.200 -0.053 0.000 0.838 625 S HN 0.508 nan 8.310 nan 0.000 0.519 626 N N 2.384 120.996 118.700 -0.145 0.000 1.997 626 N HA -0.119 4.620 4.740 -0.001 0.000 0.198 626 N C 1.375 176.747 175.510 -0.229 0.000 1.070 626 N CA 1.880 54.784 53.050 -0.243 0.000 0.864 626 N CB -0.919 37.473 38.487 -0.160 0.000 1.066 626 N HN 0.889 nan 8.380 nan 0.000 0.425 627 G N 0.195 108.962 108.800 -0.057 0.000 3.639 627 G HA2 0.424 4.383 3.960 -0.001 0.000 0.279 627 G HA3 0.424 4.383 3.960 -0.001 0.000 0.279 627 G C 0.367 175.293 174.900 0.042 0.000 1.312 627 G CA -0.050 45.087 45.100 0.061 0.000 1.355 627 G HN 0.436 nan 8.290 nan 0.000 0.595 628 G N -0.338 108.471 108.800 0.015 0.000 2.525 628 G HA2 0.357 4.316 3.960 -0.001 0.000 0.287 628 G HA3 0.357 4.316 3.960 -0.001 0.000 0.287 628 G C 1.033 175.936 174.900 0.005 0.000 1.350 628 G CA -0.524 44.572 45.100 -0.007 0.000 1.039 628 G HN 0.214 nan 8.290 nan 0.000 0.513 629 L N -0.240 120.958 121.223 -0.042 0.000 2.013 629 L HA -0.107 4.232 4.340 -0.001 0.000 0.212 629 L C 2.693 179.531 176.870 -0.054 0.000 1.073 629 L CA 1.704 56.507 54.840 -0.063 0.000 0.753 629 L CB -0.528 41.468 42.059 -0.106 0.000 0.890 629 L HN 0.559 nan 8.230 nan 0.000 0.432 630 I N -1.490 119.041 120.570 -0.066 0.000 2.226 630 I HA -0.324 3.846 4.170 -0.001 0.000 0.245 630 I C 2.462 178.622 176.117 0.071 0.000 1.100 630 I CA 1.323 62.592 61.300 -0.052 0.000 1.374 630 I CB -0.413 37.546 38.000 -0.068 0.000 1.057 630 I HN 0.410 nan 8.210 nan 0.000 0.413 631 H N 0.482 119.538 119.070 -0.024 0.000 2.321 631 H HA -0.139 4.417 4.556 -0.001 0.000 0.300 631 H C 2.180 177.502 175.328 -0.010 0.000 1.087 631 H CA 1.864 57.907 56.048 -0.008 0.000 1.319 631 H CB -0.316 29.444 29.762 -0.003 0.000 1.379 631 H HN 0.029 nan 8.280 nan 0.000 0.501 632 V N -0.369 119.581 119.914 0.060 0.000 2.233 632 V HA -0.285 3.835 4.120 -0.001 0.000 0.247 632 V C 2.689 178.767 176.094 -0.026 0.000 1.050 632 V CA 1.835 64.131 62.300 -0.006 0.000 1.010 632 V CB -0.860 30.967 31.823 0.008 0.000 0.637 632 V HN 0.297 nan 8.190 nan 0.000 0.444 633 V N -0.052 119.848 119.914 -0.024 0.000 2.282 633 V HA -0.321 3.798 4.120 -0.001 0.000 0.249 633 V C 2.558 178.642 176.094 -0.016 0.000 1.057 633 V CA 2.680 64.964 62.300 -0.026 0.000 1.032 633 V CB -1.337 30.461 31.823 -0.041 0.000 0.645 633 V HN 0.663 nan 8.190 nan 0.000 0.447 634 T N -0.123 114.425 114.554 -0.010 0.000 2.624 634 T HA -0.247 4.102 4.350 -0.001 0.000 0.268 634 T C 2.098 176.772 174.700 -0.043 0.000 1.041 634 T CA 1.655 63.747 62.100 -0.012 0.000 1.159 634 T CB -0.279 68.586 68.868 -0.006 0.000 0.863 634 T HN 0.317 nan 8.240 nan 0.000 0.434 635 R N 0.587 121.037 120.500 -0.084 0.000 2.073 635 R HA 0.095 4.434 4.340 -0.001 0.000 0.229 635 R C 2.483 178.768 176.300 -0.025 0.000 1.120 635 R CA 1.041 57.095 56.100 -0.078 0.000 0.967 635 R CB -0.565 29.657 30.300 -0.131 0.000 0.862 635 R HN 0.369 nan 8.270 nan 0.000 0.436 636 E N 0.752 120.943 120.200 -0.014 0.000 2.072 636 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 636 E C 1.244 177.855 176.600 0.018 0.000 0.982 636 E CA 1.325 57.734 56.400 0.016 0.000 0.803 636 E CB 0.262 29.973 29.700 0.019 0.000 0.755 636 E HN -0.008 nan 8.360 nan 0.000 0.453 637 K N -1.130 119.274 120.400 0.006 0.000 2.373 637 K HA 0.326 4.646 4.320 -0.001 0.000 0.200 637 K C 0.325 176.932 176.600 0.011 0.000 1.054 637 K CA 0.633 56.926 56.287 0.009 0.000 1.065 637 K CB 1.296 33.797 32.500 0.002 0.000 0.886 637 K HN 0.185 nan 8.250 nan 0.000 0.546 638 G N 2.369 111.173 108.800 0.007 0.000 2.619 638 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.686 638 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.686 638 G C -2.304 172.603 174.900 0.011 0.000 1.256 638 G CA -0.474 44.631 45.100 0.008 0.000 0.826 638 G HN -0.171 nan 8.290 nan 0.000 0.619 639 P HA -0.156 nan 4.420 nan 0.000 0.215 639 P C 1.585 178.898 177.300 0.022 0.000 1.153 639 P CA 1.662 64.769 63.100 0.012 0.000 0.853 639 P CB 0.056 31.752 31.700 -0.005 0.000 0.788 640 Q N -0.362 119.447 119.800 0.014 0.000 2.050 640 Q HA -0.088 4.251 4.340 -0.001 0.000 0.202 640 Q C 2.367 178.386 176.000 0.032 0.000 0.980 640 Q CA 1.391 57.205 55.803 0.017 0.000 0.840 640 Q CB -0.662 28.082 28.738 0.010 0.000 0.898 640 Q HN 0.101 nan 8.270 nan 0.000 0.424 641 V N 0.281 120.212 119.914 0.028 0.000 2.343 641 V HA -0.321 3.798 4.120 -0.001 0.000 0.247 641 V C 2.428 178.548 176.094 0.044 0.000 1.051 641 V CA 1.606 63.923 62.300 0.029 0.000 1.036 641 V CB -0.579 31.254 31.823 0.015 0.000 0.654 641 V HN 0.556 nan 8.190 nan 0.000 0.451 642 C N 0.126 119.458 119.300 0.054 0.000 2.413 642 C HA -0.165 4.295 4.460 -0.001 0.000 0.276 642 C C 3.084 178.202 174.990 0.213 0.000 1.248 642 C CA 0.963 60.035 59.018 0.090 0.000 1.742 642 C CB -1.253 26.550 27.740 0.106 0.000 2.017 642 C HN 0.612 nan 8.230 nan 0.000 0.481 643 A N -0.027 122.905 122.820 0.187 0.000 1.883 643 A HA -0.211 4.108 4.320 -0.001 0.000 0.217 643 A C 2.102 179.812 177.584 0.209 0.000 1.186 643 A CA 2.312 54.470 52.037 0.203 0.000 0.624 643 A CB -0.673 18.362 19.000 0.058 0.000 0.822 643 A HN 0.592 nan 8.150 nan 0.000 0.444 644 K N -0.468 120.006 120.400 0.124 0.000 2.209 644 K HA -0.059 4.261 4.320 -0.001 0.000 0.204 644 K C 1.655 178.314 176.600 0.099 0.000 1.048 644 K CA 1.182 57.526 56.287 0.095 0.000 0.940 644 K CB -0.513 32.022 32.500 0.058 0.000 0.729 644 K HN 0.376 nan 8.250 nan 0.000 0.451 645 L N -0.267 121.006 121.223 0.084 0.000 2.141 645 L HA 0.026 4.365 4.340 -0.001 0.000 0.209 645 L C 1.643 178.501 176.870 -0.019 0.000 1.094 645 L CA 1.517 56.355 54.840 -0.004 0.000 0.763 645 L CB -0.415 41.592 42.059 -0.087 0.000 0.908 645 L HN 0.125 nan 8.230 nan 0.000 0.437 646 F N -0.098 119.855 119.950 0.005 0.000 2.102 646 F HA -0.063 4.464 4.527 -0.001 0.000 0.298 646 F C 2.456 178.265 175.800 0.015 0.000 1.105 646 F CA 1.698 59.702 58.000 0.008 0.000 1.239 646 F CB -1.150 37.855 39.000 0.010 0.000 0.991 646 F HN 0.180 nan 8.300 nan 0.000 0.474 647 G N -0.515 108.417 108.800 0.220 0.000 2.408 647 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.217 647 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.217 647 G C 1.538 176.496 174.900 0.096 0.000 1.150 647 G CA 0.913 46.096 45.100 0.138 0.000 0.776 647 G HN 0.230 nan 8.290 nan 0.000 0.542 648 N N 0.790 119.535 118.700 0.075 0.000 2.106 648 N HA -0.031 4.708 4.740 -0.001 0.000 0.188 648 N C 2.219 177.744 175.510 0.025 0.000 1.029 648 N CA 0.754 53.835 53.050 0.052 0.000 0.848 648 N CB -0.329 38.181 38.487 0.038 0.000 1.007 648 N HN 0.329 nan 8.380 nan 0.000 0.423 649 I N 1.114 121.683 120.570 -0.002 0.000 2.208 649 I HA -0.292 3.878 4.170 -0.001 0.000 0.245 649 I C 2.094 178.206 176.117 -0.007 0.000 1.097 649 I CA 1.201 62.485 61.300 -0.028 0.000 1.363 649 I CB -0.342 37.614 38.000 -0.074 0.000 1.051 649 I HN 0.204 nan 8.210 nan 0.000 0.413 650 Q N 0.682 120.496 119.800 0.022 0.000 2.124 650 Q HA -0.194 4.146 4.340 -0.001 0.000 0.202 650 Q C 2.199 178.188 176.000 -0.018 0.000 0.977 650 Q CA 1.319 57.136 55.803 0.023 0.000 0.850 650 Q CB 0.009 28.784 28.738 0.062 0.000 0.901 650 Q HN 0.478 nan 8.270 nan 0.000 0.429 651 K N -0.172 120.218 120.400 -0.016 0.000 2.103 651 K HA -0.068 4.251 4.320 -0.001 0.000 0.204 651 K C 2.061 178.569 176.600 -0.153 0.000 1.052 651 K CA 1.175 57.396 56.287 -0.110 0.000 0.945 651 K CB 0.064 32.608 32.500 0.073 0.000 0.722 651 K HN 0.067 nan 8.250 nan 0.000 0.443 652 V N 1.132 121.024 119.914 -0.037 0.000 2.379 652 V HA -0.167 3.952 4.120 -0.001 0.000 0.245 652 V C 2.309 178.457 176.094 0.091 0.000 1.044 652 V CA 1.285 63.589 62.300 0.007 0.000 1.036 652 V CB -0.271 31.548 31.823 -0.006 0.000 0.664 652 V HN 0.023 nan 8.190 nan 0.000 0.453 653 V N 0.463 120.408 119.914 0.052 0.000 2.346 653 V HA -0.131 3.989 4.120 -0.001 0.000 0.244 653 V C 2.333 178.499 176.094 0.120 0.000 1.037 653 V CA 1.725 64.090 62.300 0.107 0.000 1.029 653 V CB -0.830 31.014 31.823 0.034 0.000 0.663 653 V HN 0.497 nan 8.190 nan 0.000 0.454 654 N N 0.208 118.916 118.700 0.015 0.000 2.104 654 N HA -0.201 4.539 4.740 -0.001 0.000 0.190 654 N C 1.630 177.086 175.510 -0.089 0.000 1.024 654 N CA 1.642 54.664 53.050 -0.047 0.000 0.853 654 N CB -0.566 37.863 38.487 -0.097 0.000 1.008 654 N HN 0.513 nan 8.380 nan 0.000 0.424 655 F N -0.260 119.533 119.950 -0.262 0.000 2.102 655 F HA -0.129 4.397 4.527 -0.001 0.000 0.298 655 F C 2.258 178.050 175.800 -0.014 0.000 1.105 655 F CA 1.194 59.030 58.000 -0.274 0.000 1.239 655 F CB -0.521 38.195 39.000 -0.474 0.000 0.991 655 F HN 0.112 nan 8.300 nan 0.000 0.474 656 W N 0.296 121.606 121.300 0.017 0.000 2.374 656 W HA -0.160 4.499 4.660 -0.001 0.000 0.288 656 W C 1.900 178.369 176.519 -0.083 0.000 1.218 656 W CA 1.431 58.769 57.345 -0.013 0.000 1.245 656 W CB -0.301 29.177 29.460 0.031 0.000 1.126 656 W HN 0.134 nan 8.180 nan 0.000 0.545 657 L N 0.340 121.546 121.223 -0.029 0.000 2.179 657 L HA -0.001 4.339 4.340 -0.001 0.000 0.208 657 L C 2.135 178.816 176.870 -0.315 0.000 1.096 657 L CA 1.388 56.135 54.840 -0.156 0.000 0.779 657 L CB -1.070 40.992 42.059 0.006 0.000 0.922 657 L HN 0.082 nan 8.230 nan 0.000 0.443 658 L N -1.414 119.571 121.223 -0.397 0.000 2.456 658 L HA -0.095 4.244 4.340 -0.001 0.000 0.224 658 L C 1.610 178.017 176.870 -0.773 0.000 1.148 658 L CA 1.640 56.148 54.840 -0.553 0.000 0.825 658 L CB -0.694 40.973 42.059 -0.653 0.000 0.937 658 L HN 0.386 nan 8.230 nan 0.000 0.450 659 H N -2.478 116.287 119.070 -0.508 0.000 2.893 659 H HA 0.226 4.781 4.556 -0.001 0.000 0.270 659 H C 1.024 176.057 175.328 -0.492 0.000 1.095 659 H CA 0.531 56.293 56.048 -0.476 0.000 1.186 659 H CB 0.384 29.821 29.762 -0.540 0.000 1.562 659 H HN 0.428 nan 8.280 nan 0.000 0.536 660 N N 0.482 118.863 118.700 -0.532 0.000 2.545 660 N HA 0.117 4.856 4.740 -0.001 0.000 0.190 660 N C 0.450 175.790 175.510 -0.282 0.000 1.043 660 N CA 1.019 53.739 53.050 -0.550 0.000 0.879 660 N CB 1.110 38.954 38.487 -1.071 0.000 1.210 660 N HN 0.293 nan 8.380 nan 0.000 0.437 661 G N -0.257 108.402 108.800 -0.234 0.000 2.728 661 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.686 661 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.686 661 G C -1.107 173.829 174.900 0.060 0.000 1.337 661 G CA -0.141 44.903 45.100 -0.094 0.000 0.861 661 G HN 0.365 nan 8.290 nan 0.000 0.597 662 F N 1.389 121.288 119.950 -0.084 0.000 2.628 662 F HA 0.801 5.328 4.527 -0.001 0.000 0.309 662 F C -0.051 175.729 175.800 -0.033 0.000 1.108 662 F CA 0.143 58.119 58.000 -0.040 0.000 0.971 662 F CB 2.193 41.184 39.000 -0.015 0.000 1.279 662 F HN 1.120 nan 8.300 nan 0.000 0.441 663 S N 1.761 116.975 115.700 -0.809 0.000 2.752 663 S HA 0.898 5.368 4.470 -0.001 0.000 0.284 663 S C -1.585 172.632 174.600 -0.638 0.000 1.189 663 S CA -0.360 57.537 58.200 -0.506 0.000 0.835 663 S CB 1.981 65.018 63.200 -0.273 0.000 1.192 663 S HN 0.775 nan 8.310 nan 0.000 0.506 664 T N 0.470 114.836 114.554 -0.314 0.000 2.932 664 T HA 0.740 5.090 4.350 -0.001 0.000 0.318 664 T C -0.378 174.249 174.700 -0.122 0.000 1.265 664 T CA -0.200 61.771 62.100 -0.215 0.000 1.036 664 T CB 1.521 70.315 68.868 -0.124 0.000 1.209 664 T HN 1.045 nan 8.240 nan 0.000 0.484 665 G N 0.230 108.978 108.800 -0.087 0.000 2.682 665 G HA2 0.558 4.517 3.960 -0.001 0.000 0.303 665 G HA3 0.558 4.517 3.960 -0.001 0.000 0.303 665 G C 0.718 175.597 174.900 -0.034 0.000 1.341 665 G CA -0.853 44.213 45.100 -0.056 0.000 0.784 665 G HN 0.719 nan 8.290 nan 0.000 0.497 666 I N 0.613 121.168 120.570 -0.024 0.000 2.264 666 I HA -0.092 4.078 4.170 -0.001 0.000 0.248 666 I C 2.846 178.958 176.117 -0.008 0.000 1.111 666 I CA 1.526 62.820 61.300 -0.010 0.000 1.382 666 I CB -0.644 37.352 38.000 -0.007 0.000 1.060 666 I HN 0.564 nan 8.210 nan 0.000 0.418 667 G N 1.437 110.228 108.800 -0.016 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 1.229 176.124 174.900 -0.007 0.000 1.150 667 G CA 1.165 46.258 45.100 -0.013 0.000 0.763 667 G HN 0.393 nan 8.290 nan 0.000 0.561 668 D N -0.008 120.384 120.400 -0.014 0.000 2.384 668 D HA -0.078 4.562 4.640 -0.001 0.000 0.222 668 D C 2.313 178.620 176.300 0.012 0.000 0.976 668 D CA 1.501 55.498 54.000 -0.004 0.000 0.915 668 D CB -0.037 40.752 40.800 -0.019 0.000 0.896 668 D HN 0.550 nan 8.370 nan 0.000 0.523 669 T N -2.054 112.507 114.554 0.012 0.000 3.129 669 T HA 0.243 4.592 4.350 -0.001 0.000 0.267 669 T C 0.635 175.346 174.700 0.018 0.000 1.018 669 T CA -0.378 61.734 62.100 0.020 0.000 0.903 669 T CB -0.088 68.797 68.868 0.028 0.000 1.067 669 T HN -0.066 nan 8.240 nan 0.000 0.549 670 I N 2.448 123.027 120.570 0.014 0.000 2.321 670 I HA 0.639 4.809 4.170 -0.001 0.000 0.291 670 I C 0.475 176.602 176.117 0.016 0.000 0.998 670 I CA -1.183 60.125 61.300 0.013 0.000 1.227 670 I CB 1.421 39.427 38.000 0.010 0.000 1.368 670 I HN 0.209 nan 8.210 nan 0.000 0.466 671 A N 4.430 127.260 122.820 0.017 0.000 2.295 671 A HA 0.348 4.667 4.320 -0.001 0.000 0.318 671 A C -0.365 177.230 177.584 0.018 0.000 1.134 671 A CA -0.537 51.512 52.037 0.020 0.000 0.827 671 A CB 0.449 19.462 19.000 0.022 0.000 1.136 671 A HN 0.737 nan 8.150 nan 0.000 0.493 672 D N 0.680 121.092 120.400 0.020 0.000 2.548 672 D HA 0.226 4.866 4.640 -0.001 0.000 0.231 672 D C 1.676 177.986 176.300 0.016 0.000 1.142 672 D CA 1.830 55.841 54.000 0.018 0.000 0.866 672 D CB 0.700 41.512 40.800 0.020 0.000 1.190 672 D HN 0.596 nan 8.370 nan 0.000 0.469 673 G N 3.396 112.205 108.800 0.014 0.000 2.469 673 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.219 673 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.219 673 G C -0.702 174.207 174.900 0.014 0.000 1.150 673 G CA 0.450 45.558 45.100 0.013 0.000 0.763 673 G HN 0.526 nan 8.290 nan 0.000 0.561 674 P HA -0.019 nan 4.420 nan 0.000 0.218 674 P C 1.703 179.014 177.300 0.018 0.000 1.152 674 P CA 1.365 64.474 63.100 0.016 0.000 0.826 674 P CB -0.176 31.533 31.700 0.015 0.000 0.790 675 T N 0.173 114.739 114.554 0.020 0.000 2.788 675 T HA -0.066 4.284 4.350 -0.001 0.000 0.268 675 T C 1.895 176.609 174.700 0.024 0.000 1.044 675 T CA 1.257 63.371 62.100 0.024 0.000 1.139 675 T CB -0.486 68.398 68.868 0.027 0.000 0.867 675 T HN -0.040 nan 8.240 nan 0.000 0.454 676 M N 0.650 120.263 119.600 0.020 0.000 2.296 676 M HA 0.084 4.563 4.480 -0.001 0.000 0.265 676 M C 2.185 178.497 176.300 0.020 0.000 1.064 676 M CA 1.148 56.459 55.300 0.019 0.000 1.109 676 M CB -0.919 31.691 32.600 0.016 0.000 1.396 676 M HN 0.117 nan 8.290 nan 0.000 0.430 677 R N -0.185 120.326 120.500 0.019 0.000 2.193 677 R HA -0.067 4.272 4.340 -0.001 0.000 0.213 677 R C 2.020 178.332 176.300 0.020 0.000 1.055 677 R CA 0.794 56.905 56.100 0.019 0.000 0.995 677 R CB 0.171 30.480 30.300 0.016 0.000 0.893 677 R HN 0.418 nan 8.270 nan 0.000 0.459 678 E N 0.024 120.237 120.200 0.022 0.000 2.170 678 E HA -0.069 4.281 4.350 -0.001 0.000 0.191 678 E C 1.677 178.294 176.600 0.028 0.000 0.981 678 E CA 0.542 56.956 56.400 0.023 0.000 0.830 678 E CB 0.178 29.893 29.700 0.024 0.000 0.775 678 E HN 0.294 nan 8.360 nan 0.000 0.470 679 I N 0.548 121.137 120.570 0.031 0.000 2.163 679 I HA -0.227 3.942 4.170 -0.001 0.000 0.240 679 I C 2.277 178.419 176.117 0.041 0.000 1.081 679 I CA 1.231 62.554 61.300 0.038 0.000 1.353 679 I CB -0.211 37.809 38.000 0.033 0.000 1.054 679 I HN 0.122 nan 8.210 nan 0.000 0.407 680 T N 0.039 114.614 114.554 0.036 0.000 2.759 680 T HA -0.200 4.149 4.350 -0.001 0.000 0.269 680 T C 1.711 176.433 174.700 0.037 0.000 1.042 680 T CA 1.356 63.481 62.100 0.040 0.000 1.140 680 T CB -0.252 68.636 68.868 0.033 0.000 0.864 680 T HN 0.398 nan 8.240 nan 0.000 0.455 681 E N 0.287 120.503 120.200 0.027 0.000 2.107 681 E HA -0.063 4.287 4.350 -0.001 0.000 0.191 681 E C 2.445 179.053 176.600 0.014 0.000 0.982 681 E CA 1.001 57.412 56.400 0.018 0.000 0.809 681 E CB -0.114 29.593 29.700 0.013 0.000 0.756 681 E HN 0.317 nan 8.360 nan 0.000 0.459 682 T N 1.175 115.742 114.554 0.022 0.000 2.746 682 T HA -0.127 4.223 4.350 -0.001 0.000 0.267 682 T C 1.871 176.581 174.700 0.017 0.000 1.039 682 T CA 0.879 62.991 62.100 0.020 0.000 1.142 682 T CB -0.101 68.789 68.868 0.037 0.000 0.866 682 T HN 0.107 nan 8.240 nan 0.000 0.444 683 I N 0.911 121.507 120.570 0.043 0.000 2.286 683 I HA -0.101 4.068 4.170 -0.001 0.000 0.245 683 I C 2.816 178.937 176.117 0.007 0.000 1.104 683 I CA 0.901 62.235 61.300 0.056 0.000 1.397 683 I CB -0.368 37.717 38.000 0.142 0.000 1.072 683 I HN 0.169 nan 8.210 nan 0.000 0.417 684 A N 0.120 122.949 122.820 0.015 0.000 1.972 684 A HA -0.259 4.060 4.320 -0.001 0.000 0.219 684 A C 2.302 179.865 177.584 -0.036 0.000 1.169 684 A CA 1.777 53.814 52.037 -0.000 0.000 0.635 684 A CB -0.592 18.415 19.000 0.011 0.000 0.810 684 A HN 0.494 nan 8.150 nan 0.000 0.446 685 E N -0.124 120.049 120.200 -0.044 0.000 2.110 685 E HA -0.124 4.226 4.350 -0.001 0.000 0.193 685 E C 2.093 178.612 176.600 -0.135 0.000 0.988 685 E CA 0.956 57.310 56.400 -0.075 0.000 0.804 685 E CB -0.206 29.457 29.700 -0.061 0.000 0.745 685 E HN 0.556 nan 8.360 nan 0.000 0.458 686 A N 1.170 123.907 122.820 -0.137 0.000 1.929 686 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 686 A C 1.967 179.424 177.584 -0.213 0.000 1.176 686 A CA 1.162 53.075 52.037 -0.207 0.000 0.628 686 A CB -0.212 18.682 19.000 -0.177 0.000 0.816 686 A HN 0.104 nan 8.150 nan 0.000 0.444 687 K N -0.180 120.129 120.400 -0.152 0.000 2.362 687 K HA -0.063 4.256 4.320 -0.001 0.000 0.200 687 K C 1.731 178.283 176.600 -0.081 0.000 1.046 687 K CA 1.118 57.341 56.287 -0.107 0.000 0.952 687 K CB -0.038 32.432 32.500 -0.051 0.000 0.753 687 K HN 0.451 nan 8.250 nan 0.000 0.466 688 K N 0.733 121.070 120.400 -0.106 0.000 2.076 688 K HA -0.036 4.284 4.320 -0.001 0.000 0.204 688 K C 1.849 178.368 176.600 -0.134 0.000 1.051 688 K CA 0.867 57.100 56.287 -0.090 0.000 0.949 688 K CB 0.116 32.565 32.500 -0.085 0.000 0.726 688 K HN 0.011 nan 8.250 nan 0.000 0.443 689 K N 0.740 120.977 120.400 -0.271 0.000 2.057 689 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 689 K C 2.052 178.515 176.600 -0.229 0.000 1.049 689 K CA 1.239 57.252 56.287 -0.455 0.000 0.931 689 K CB -0.140 31.663 32.500 -1.161 0.000 0.714 689 K HN -0.065 nan 8.250 nan 0.000 0.440 690 V N 1.602 121.448 119.914 -0.113 0.000 2.427 690 V HA -0.211 3.908 4.120 -0.001 0.000 0.248 690 V C 2.146 178.306 176.094 0.111 0.000 1.051 690 V CA 1.236 63.589 62.300 0.087 0.000 1.048 690 V CB -0.343 31.506 31.823 0.044 0.000 0.666 690 V HN 0.250 nan 8.190 nan 0.000 0.456 691 L N 0.354 121.608 121.223 0.052 0.000 2.131 691 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 691 L C 1.996 178.914 176.870 0.080 0.000 1.092 691 L CA 1.960 56.844 54.840 0.074 0.000 0.759 691 L CB -0.834 41.249 42.059 0.039 0.000 0.903 691 L HN 0.322 nan 8.230 nan 0.000 0.435 692 D N -1.118 119.315 120.400 0.055 0.000 2.194 692 D HA -0.085 4.555 4.640 -0.001 0.000 0.204 692 D C 2.273 178.642 176.300 0.115 0.000 0.964 692 D CA 1.343 55.380 54.000 0.062 0.000 0.846 692 D CB 0.002 40.817 40.800 0.024 0.000 0.962 692 D HN 0.293 nan 8.370 nan 0.000 0.490 693 V N 1.016 121.037 119.914 0.179 0.000 2.548 693 V HA -0.162 3.957 4.120 -0.001 0.000 0.249 693 V C 2.470 178.750 176.094 0.310 0.000 1.055 693 V CA 1.526 63.976 62.300 0.250 0.000 1.065 693 V CB -0.711 31.285 31.823 0.288 0.000 0.681 693 V HN 0.175 nan 8.190 nan 0.000 0.462 694 T N -0.223 114.524 114.554 0.321 0.000 2.737 694 T HA -0.181 4.169 4.350 -0.001 0.000 0.265 694 T C 1.972 176.715 174.700 0.071 0.000 1.038 694 T CA 1.469 63.709 62.100 0.233 0.000 1.144 694 T CB -0.178 68.822 68.868 0.220 0.000 0.866 694 T HN 0.454 nan 8.240 nan 0.000 0.434 695 K N 0.803 121.251 120.400 0.079 0.000 2.057 695 K HA -0.104 4.216 4.320 -0.001 0.000 0.207 695 K C 2.426 179.045 176.600 0.031 0.000 1.049 695 K CA 1.218 57.530 56.287 0.041 0.000 0.931 695 K CB -0.117 32.409 32.500 0.044 0.000 0.714 695 K HN 0.411 nan 8.250 nan 0.000 0.440 696 E N 0.514 120.748 120.200 0.057 0.000 2.051 696 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 696 E C 1.941 178.555 176.600 0.024 0.000 0.991 696 E CA 1.144 57.574 56.400 0.050 0.000 0.799 696 E CB -0.024 29.724 29.700 0.080 0.000 0.748 696 E HN 0.334 nan 8.360 nan 0.000 0.449 697 A N 0.694 123.525 122.820 0.018 0.000 1.930 697 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 697 A C 1.982 179.495 177.584 -0.118 0.000 1.175 697 A CA 1.374 53.370 52.037 -0.069 0.000 0.627 697 A CB -0.411 18.471 19.000 -0.197 0.000 0.815 697 A HN 0.303 nan 8.150 nan 0.000 0.443 698 Q N -0.809 118.927 119.800 -0.108 0.000 2.369 698 Q HA 0.067 4.407 4.340 -0.001 0.000 0.206 698 Q C 1.981 177.951 176.000 -0.051 0.000 0.963 698 Q CA 0.924 56.670 55.803 -0.095 0.000 0.894 698 Q CB -0.217 28.479 28.738 -0.069 0.000 0.965 698 Q HN 0.677 nan 8.270 nan 0.000 0.475 699 A N 0.974 123.775 122.820 -0.031 0.000 2.147 699 A HA -0.003 4.316 4.320 -0.001 0.000 0.211 699 A C 0.761 178.334 177.584 -0.017 0.000 1.160 699 A CA 0.421 52.448 52.037 -0.016 0.000 0.781 699 A CB 0.180 19.179 19.000 -0.002 0.000 0.842 699 A HN 0.414 nan 8.150 nan 0.000 0.475 700 N N -1.863 116.821 118.700 -0.026 0.000 2.861 700 N HA -0.132 4.608 4.740 -0.001 0.000 0.247 700 N C 0.190 175.696 175.510 -0.007 0.000 1.117 700 N CA 0.932 53.968 53.050 -0.023 0.000 0.703 700 N CB -1.941 36.532 38.487 -0.023 0.000 1.052 700 N HN 0.420 nan 8.380 nan 0.000 0.555 701 L N -0.898 120.326 121.223 0.002 0.000 2.463 701 L HA 0.253 4.593 4.340 -0.001 0.000 0.219 701 L C 1.027 177.908 176.870 0.019 0.000 1.088 701 L CA -0.209 54.638 54.840 0.012 0.000 0.849 701 L CB 0.037 42.107 42.059 0.017 0.000 1.012 701 L HN 0.292 nan 8.230 nan 0.000 0.468 702 L N 0.434 121.671 121.223 0.023 0.000 2.367 702 L HA 0.253 4.592 4.340 -0.001 0.000 0.275 702 L C -0.221 176.663 176.870 0.024 0.000 1.129 702 L CA 0.794 55.655 54.840 0.036 0.000 0.839 702 L CB 1.001 43.096 42.059 0.059 0.000 1.133 702 L HN -0.158 nan 8.230 nan 0.000 0.453 703 T N 5.105 119.674 114.554 0.026 0.000 2.823 703 T HA 0.757 5.107 4.350 -0.001 0.000 0.279 703 T C -0.099 174.612 174.700 0.019 0.000 0.998 703 T CA -0.126 61.985 62.100 0.018 0.000 0.994 703 T CB 1.399 70.277 68.868 0.017 0.000 0.960 703 T HN 0.941 nan 8.240 nan 0.000 0.448 704 A N 3.235 126.061 122.820 0.011 0.000 2.340 704 A HA 0.605 4.925 4.320 -0.001 0.000 0.268 704 A C 0.201 177.792 177.584 0.012 0.000 1.100 704 A CA -0.601 51.441 52.037 0.009 0.000 0.803 704 A CB 0.204 19.202 19.000 -0.003 0.000 1.043 704 A HN 0.733 nan 8.150 nan 0.000 0.488 705 K N 0.662 121.073 120.400 0.017 0.000 2.180 705 K HA 0.249 4.569 4.320 -0.001 0.000 0.251 705 K C 0.253 176.879 176.600 0.044 0.000 1.014 705 K CA -0.045 56.265 56.287 0.039 0.000 0.913 705 K CB 0.090 32.616 32.500 0.043 0.000 1.008 705 K HN 0.813 nan 8.250 nan 0.000 0.490 706 H N 0.266 119.328 119.070 -0.014 0.000 3.038 706 H HA 0.098 4.654 4.556 -0.001 0.000 0.338 706 H C 0.872 176.193 175.328 -0.011 0.000 1.041 706 H CA 1.773 57.809 56.048 -0.019 0.000 1.394 706 H CB 0.167 29.910 29.762 -0.031 0.000 1.357 706 H HN 0.701 nan 8.280 nan 0.000 0.600 707 G N 4.076 112.531 108.800 -0.575 0.000 2.393 707 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.299 707 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.299 707 G C -0.148 174.685 174.900 -0.111 0.000 0.990 707 G CA 0.797 45.717 45.100 -0.299 0.000 1.118 707 G HN 0.694 nan 8.290 nan 0.000 0.513 708 M N -0.360 119.181 119.600 -0.099 0.000 2.365 708 M HA 0.269 4.748 4.480 -0.001 0.000 0.288 708 M C 0.148 176.425 176.300 -0.039 0.000 1.152 708 M CA -0.559 54.714 55.300 -0.045 0.000 0.948 708 M CB 1.709 34.298 32.600 -0.017 0.000 1.729 708 M HN 0.113 nan 8.290 nan 0.000 0.487 709 T N 2.691 117.231 114.554 -0.024 0.000 2.860 709 T HA 0.160 4.510 4.350 -0.001 0.000 0.299 709 T C 0.995 175.693 174.700 -0.003 0.000 1.045 709 T CA -0.544 61.546 62.100 -0.017 0.000 1.071 709 T CB 0.840 69.703 68.868 -0.009 0.000 0.985 709 T HN 0.513 nan 8.240 nan 0.000 0.537 710 L N 1.647 122.866 121.223 -0.007 0.000 2.017 710 L HA -0.016 4.323 4.340 -0.001 0.000 0.208 710 L C 2.624 179.513 176.870 0.030 0.000 1.073 710 L CA 1.761 56.601 54.840 0.001 0.000 0.745 710 L CB -0.666 41.379 42.059 -0.023 0.000 0.894 710 L HN 0.543 nan 8.230 nan 0.000 0.432 711 R N -0.844 119.664 120.500 0.013 0.000 2.115 711 R HA -0.126 4.214 4.340 -0.001 0.000 0.230 711 R C 2.057 178.425 176.300 0.113 0.000 1.111 711 R CA 1.197 57.328 56.100 0.051 0.000 0.976 711 R CB -0.186 30.117 30.300 0.006 0.000 0.870 711 R HN 0.513 nan 8.270 nan 0.000 0.445 712 E N 0.001 120.233 120.200 0.054 0.000 2.072 712 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 712 E C 1.993 178.608 176.600 0.024 0.000 0.985 712 E CA 1.268 57.688 56.400 0.033 0.000 0.801 712 E CB 0.053 29.758 29.700 0.008 0.000 0.750 712 E HN 0.182 nan 8.360 nan 0.000 0.452 713 S N 0.897 116.616 115.700 0.031 0.000 2.368 713 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 713 S C 1.626 176.222 174.600 -0.007 0.000 1.030 713 S CA 0.896 59.099 58.200 0.006 0.000 0.999 713 S CB -0.335 62.876 63.200 0.018 0.000 0.844 713 S HN 0.275 nan 8.310 nan 0.000 0.459 714 F N 2.968 122.879 119.950 -0.064 0.000 2.046 714 F HA -0.162 4.365 4.527 -0.001 0.000 0.297 714 F C 2.351 178.112 175.800 -0.066 0.000 1.123 714 F CA 1.668 59.630 58.000 -0.064 0.000 1.199 714 F CB -0.429 38.528 39.000 -0.072 0.000 0.972 714 F HN 0.039 nan 8.300 nan 0.000 0.474 715 E N 0.278 120.396 120.200 -0.137 0.000 2.085 715 E HA -0.258 4.092 4.350 -0.001 0.000 0.194 715 E C 1.969 178.419 176.600 -0.249 0.000 0.994 715 E CA 1.557 57.832 56.400 -0.208 0.000 0.801 715 E CB -0.857 28.842 29.700 -0.002 0.000 0.743 715 E HN 0.510 nan 8.360 nan 0.000 0.453 716 D N 0.707 121.000 120.400 -0.179 0.000 2.123 716 D HA -0.144 4.496 4.640 -0.001 0.000 0.196 716 D C 1.505 177.633 176.300 -0.286 0.000 0.992 716 D CA 0.995 54.889 54.000 -0.176 0.000 0.833 716 D CB -0.085 40.643 40.800 -0.119 0.000 0.954 716 D HN 0.037 nan 8.370 nan 0.000 0.455 717 N N -0.390 118.076 118.700 -0.390 0.000 2.171 717 N HA -0.083 4.657 4.740 -0.001 0.000 0.184 717 N C 2.015 177.080 175.510 -0.741 0.000 1.021 717 N CA 0.590 53.263 53.050 -0.629 0.000 0.854 717 N CB -0.320 37.816 38.487 -0.585 0.000 0.994 717 N HN 0.147 nan 8.380 nan 0.000 0.426 718 V N 1.006 120.590 119.914 -0.550 0.000 2.358 718 V HA -0.130 3.990 4.120 -0.001 0.000 0.246 718 V C 2.423 178.394 176.094 -0.205 0.000 1.047 718 V CA 1.052 63.152 62.300 -0.334 0.000 1.035 718 V CB -0.419 31.137 31.823 -0.445 0.000 0.658 718 V HN 0.043 nan 8.190 nan 0.000 0.452 719 V N 0.053 119.839 119.914 -0.214 0.000 2.427 719 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 719 V C 2.554 178.591 176.094 -0.095 0.000 1.051 719 V CA 2.267 64.497 62.300 -0.117 0.000 1.048 719 V CB -0.779 30.987 31.823 -0.095 0.000 0.666 719 V HN 0.507 nan 8.190 nan 0.000 0.456 720 R N -0.516 119.879 120.500 -0.175 0.000 2.092 720 R HA -0.120 4.219 4.340 -0.001 0.000 0.231 720 R C 2.339 178.630 176.300 -0.015 0.000 1.119 720 R CA 1.639 57.660 56.100 -0.133 0.000 0.970 720 R CB -0.328 29.831 30.300 -0.237 0.000 0.864 720 R HN 0.496 nan 8.270 nan 0.000 0.440 721 F N 0.744 120.639 119.950 -0.093 0.000 2.102 721 F HA -0.217 4.309 4.527 -0.001 0.000 0.298 721 F C 2.217 177.943 175.800 -0.123 0.000 1.105 721 F CA 0.665 58.603 58.000 -0.103 0.000 1.239 721 F CB -0.059 38.862 39.000 -0.132 0.000 0.991 721 F HN 0.035 nan 8.300 nan 0.000 0.474 722 L N -0.381 120.865 121.223 0.038 0.000 2.109 722 L HA -0.201 4.139 4.340 -0.001 0.000 0.207 722 L C 1.981 178.889 176.870 0.063 0.000 1.086 722 L CA 0.798 55.575 54.840 -0.105 0.000 0.760 722 L CB -0.584 41.359 42.059 -0.193 0.000 0.910 722 L HN 0.119 nan 8.230 nan 0.000 0.437 723 N N -0.214 118.534 118.700 0.080 0.000 2.250 723 N HA -0.178 4.562 4.740 -0.001 0.000 0.181 723 N C 1.734 177.309 175.510 0.108 0.000 1.017 723 N CA 0.864 53.978 53.050 0.106 0.000 0.866 723 N CB 0.007 38.536 38.487 0.070 0.000 0.985 723 N HN 0.382 nan 8.380 nan 0.000 0.429 724 E N 0.853 121.110 120.200 0.095 0.000 2.085 724 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 724 E C 1.701 178.361 176.600 0.100 0.000 0.994 724 E CA 1.149 57.608 56.400 0.099 0.000 0.801 724 E CB 0.028 29.799 29.700 0.118 0.000 0.743 724 E HN 0.286 nan 8.360 nan 0.000 0.453 725 A N 1.838 124.711 122.820 0.088 0.000 1.873 725 A HA -0.190 4.130 4.320 -0.001 0.000 0.215 725 A C 2.266 179.932 177.584 0.137 0.000 1.186 725 A CA 1.526 53.613 52.037 0.082 0.000 0.616 725 A CB -0.627 18.384 19.000 0.019 0.000 0.823 725 A HN 0.268 nan 8.150 nan 0.000 0.442 726 R N -0.212 120.398 120.500 0.184 0.000 2.080 726 R HA -0.196 4.144 4.340 -0.001 0.000 0.236 726 R C 1.489 177.869 176.300 0.134 0.000 1.137 726 R CA 2.091 58.289 56.100 0.163 0.000 0.943 726 R CB -0.558 29.833 30.300 0.152 0.000 0.846 726 R HN 0.436 nan 8.270 nan 0.000 0.431 727 D N 0.909 121.410 120.400 0.168 0.000 2.116 727 D HA -0.212 4.428 4.640 -0.001 0.000 0.193 727 D C 1.881 178.346 176.300 0.275 0.000 0.998 727 D CA 2.087 56.247 54.000 0.267 0.000 0.836 727 D CB -0.206 40.727 40.800 0.222 0.000 0.951 727 D HN 0.542 nan 8.370 nan 0.000 0.449 728 K N 0.651 121.150 120.400 0.164 0.000 2.155 728 K HA 0.113 4.433 4.320 -0.001 0.000 0.203 728 K C 2.083 178.761 176.600 0.129 0.000 1.052 728 K CA 1.228 57.590 56.287 0.125 0.000 0.948 728 K CB -0.117 32.431 32.500 0.079 0.000 0.728 728 K HN 0.027 nan 8.250 nan 0.000 0.448 729 A N 1.747 124.641 122.820 0.123 0.000 2.014 729 A HA 0.056 4.376 4.320 -0.001 0.000 0.218 729 A C 2.409 180.057 177.584 0.106 0.000 1.163 729 A CA 1.295 53.389 52.037 0.096 0.000 0.652 729 A CB -0.936 18.114 19.000 0.083 0.000 0.808 729 A HN 0.518 nan 8.150 nan 0.000 0.449 730 G N -0.238 108.658 108.800 0.160 0.000 2.394 730 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.215 730 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.215 730 G C 1.727 176.857 174.900 0.383 0.000 1.165 730 G CA 0.773 45.969 45.100 0.161 0.000 0.784 730 G HN 0.539 nan 8.290 nan 0.000 0.535 731 R N -0.045 120.708 120.500 0.422 0.000 2.081 731 R HA 0.084 4.423 4.340 -0.001 0.000 0.235 731 R C 2.584 178.974 176.300 0.150 0.000 1.131 731 R CA 0.849 57.094 56.100 0.242 0.000 0.960 731 R CB -0.527 29.820 30.300 0.079 0.000 0.856 731 R HN 0.304 nan 8.270 nan 0.000 0.436 732 L N 0.010 121.304 121.223 0.119 0.000 2.079 732 L HA -0.208 4.132 4.340 -0.001 0.000 0.210 732 L C 2.589 179.506 176.870 0.078 0.000 1.081 732 L CA 1.365 56.252 54.840 0.079 0.000 0.752 732 L CB -0.563 41.534 42.059 0.064 0.000 0.896 732 L HN 0.304 nan 8.230 nan 0.000 0.433 733 A N -0.456 122.417 122.820 0.089 0.000 1.930 733 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 733 A C 2.264 179.898 177.584 0.084 0.000 1.175 733 A CA 1.726 53.805 52.037 0.069 0.000 0.627 733 A CB -0.417 18.611 19.000 0.047 0.000 0.815 733 A HN 0.475 nan 8.150 nan 0.000 0.443 734 E N -0.149 120.129 120.200 0.129 0.000 2.028 734 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 734 E C 1.872 178.525 176.600 0.089 0.000 0.988 734 E CA 1.373 57.852 56.400 0.133 0.000 0.799 734 E CB -0.150 29.677 29.700 0.212 0.000 0.755 734 E HN 0.257 nan 8.360 nan 0.000 0.447 735 V N 1.847 121.807 119.914 0.077 0.000 2.324 735 V HA -0.325 3.794 4.120 -0.001 0.000 0.250 735 V C 2.336 178.458 176.094 0.047 0.000 1.060 735 V CA 2.200 64.531 62.300 0.051 0.000 1.042 735 V CB -0.937 30.911 31.823 0.042 0.000 0.650 735 V HN 0.405 nan 8.190 nan 0.000 0.450 736 N N -0.115 118.614 118.700 0.048 0.000 2.166 736 N HA -0.106 4.633 4.740 -0.001 0.000 0.186 736 N C 0.599 176.133 175.510 0.041 0.000 1.019 736 N CA 0.793 53.868 53.050 0.041 0.000 0.856 736 N CB -0.417 38.093 38.487 0.038 0.000 0.993 736 N HN 0.502 nan 8.380 nan 0.000 0.426 737 L N 1.569 122.820 121.223 0.048 0.000 2.490 737 L HA 0.030 4.369 4.340 -0.001 0.000 0.274 737 L C 0.780 177.678 176.870 0.046 0.000 1.201 737 L CA 0.075 54.943 54.840 0.047 0.000 0.869 737 L CB 0.346 42.439 42.059 0.056 0.000 1.123 737 L HN 0.210 nan 8.230 nan 0.000 0.484 738 K N 1.895 122.321 120.400 0.043 0.000 2.117 738 K HA 0.111 4.430 4.320 -0.001 0.000 0.240 738 K C 0.175 176.807 176.600 0.052 0.000 1.031 738 K CA -0.877 55.436 56.287 0.044 0.000 0.909 738 K CB 0.653 33.176 32.500 0.039 0.000 1.097 738 K HN 0.455 nan 8.250 nan 0.000 0.492 739 D N 0.766 121.198 120.400 0.052 0.000 2.371 739 D HA -0.053 4.586 4.640 -0.001 0.000 0.221 739 D C 1.289 177.635 176.300 0.077 0.000 0.986 739 D CA 0.783 54.820 54.000 0.061 0.000 0.899 739 D CB 0.075 40.906 40.800 0.052 0.000 0.902 739 D HN 0.208 nan 8.370 nan 0.000 0.530 740 L N 0.023 121.287 121.223 0.070 0.000 2.307 740 L HA 0.053 4.393 4.340 -0.001 0.000 0.211 740 L C 0.804 177.719 176.870 0.075 0.000 1.099 740 L CA 0.111 54.996 54.840 0.075 0.000 0.816 740 L CB -0.987 41.103 42.059 0.052 0.000 0.952 740 L HN -0.138 nan 8.230 nan 0.000 0.455 741 N N 1.020 119.758 118.700 0.064 0.000 2.374 741 N HA -0.118 4.622 4.740 -0.001 0.000 0.269 741 N C 1.127 176.692 175.510 0.092 0.000 1.310 741 N CA 0.155 53.239 53.050 0.056 0.000 0.877 741 N CB 0.235 38.755 38.487 0.055 0.000 1.096 741 N HN 0.126 nan 8.380 nan 0.000 0.484 742 N N 2.832 121.566 118.700 0.055 0.000 2.223 742 N HA -0.144 4.595 4.740 -0.001 0.000 0.185 742 N C 1.244 176.882 175.510 0.213 0.000 1.016 742 N CA 0.860 53.977 53.050 0.111 0.000 0.863 742 N CB -0.006 38.330 38.487 -0.252 0.000 0.983 742 N HN 0.329 nan 8.380 nan 0.000 0.429 743 V N 1.779 121.759 119.914 0.111 0.000 2.307 743 V HA -0.190 3.930 4.120 -0.001 0.000 0.245 743 V C 2.533 178.702 176.094 0.125 0.000 1.045 743 V CA 1.442 63.810 62.300 0.113 0.000 1.024 743 V CB -0.434 31.432 31.823 0.071 0.000 0.651 743 V HN 0.300 nan 8.190 nan 0.000 0.449 744 K N -0.429 120.037 120.400 0.110 0.000 2.147 744 K HA -0.227 4.093 4.320 -0.001 0.000 0.205 744 K C 2.206 178.871 176.600 0.109 0.000 1.049 744 K CA 1.563 57.911 56.287 0.101 0.000 0.936 744 K CB -0.072 32.480 32.500 0.087 0.000 0.722 744 K HN 0.541 nan 8.250 nan 0.000 0.446 745 Q N -0.048 119.844 119.800 0.153 0.000 2.046 745 Q HA -0.125 4.214 4.340 -0.001 0.000 0.200 745 Q C 2.169 178.221 176.000 0.085 0.000 0.975 745 Q CA 1.756 57.646 55.803 0.144 0.000 0.836 745 Q CB -0.069 28.826 28.738 0.263 0.000 0.896 745 Q HN 0.391 nan 8.270 nan 0.000 0.428 746 M N -0.110 119.572 119.600 0.138 0.000 2.213 746 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 746 M C 2.142 178.469 176.300 0.044 0.000 1.062 746 M CA 0.966 56.305 55.300 0.065 0.000 1.105 746 M CB -0.099 32.580 32.600 0.132 0.000 1.385 746 M HN 0.069 nan 8.290 nan 0.000 0.417 747 V N 0.267 120.220 119.914 0.065 0.000 2.453 747 V HA -0.221 3.898 4.120 -0.001 0.000 0.247 747 V C 2.290 178.406 176.094 0.037 0.000 1.048 747 V CA 1.490 63.825 62.300 0.057 0.000 1.049 747 V CB -0.443 31.426 31.823 0.077 0.000 0.672 747 V HN 0.506 nan 8.190 nan 0.000 0.457 748 M N -0.205 119.415 119.600 0.034 0.000 2.229 748 M HA -0.065 4.415 4.480 -0.001 0.000 0.264 748 M C 2.190 178.487 176.300 -0.005 0.000 1.063 748 M CA 1.815 57.125 55.300 0.017 0.000 1.114 748 M CB -0.429 32.184 32.600 0.021 0.000 1.387 748 M HN 0.389 nan 8.290 nan 0.000 0.420 749 A N -0.285 122.525 122.820 -0.018 0.000 2.123 749 A HA 0.326 4.645 4.320 -0.001 0.000 0.214 749 A C 1.722 179.289 177.584 -0.027 0.000 1.152 749 A CA 1.012 53.024 52.037 -0.040 0.000 0.728 749 A CB -0.547 18.406 19.000 -0.077 0.000 0.814 749 A HN 0.617 nan 8.150 nan 0.000 0.464 750 G N -0.435 108.360 108.800 -0.009 0.000 2.132 750 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.234 750 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.234 750 G C 0.210 175.111 174.900 0.002 0.000 0.989 750 G CA 0.417 45.517 45.100 -0.000 0.000 0.676 750 G HN 1.496 nan 8.290 nan 0.000 0.522 751 S N -0.011 115.688 115.700 -0.002 0.000 2.505 751 S HA 0.707 5.177 4.470 -0.001 0.000 0.280 751 S C -0.122 174.492 174.600 0.023 0.000 1.197 751 S CA -0.114 58.088 58.200 0.003 0.000 1.138 751 S CB 1.887 65.075 63.200 -0.019 0.000 1.010 751 S HN 0.951 nan 8.310 nan 0.000 0.480 752 K N 1.030 121.448 120.400 0.030 0.000 7.329 752 K HA 0.210 4.529 4.320 -0.001 0.000 0.591 752 K C 0.329 176.959 176.600 0.050 0.000 2.583 752 K CA 1.726 58.037 56.287 0.040 0.000 2.016 752 K CB -1.104 31.424 32.500 0.047 0.000 2.225 752 K HN 2.207 nan 8.250 nan 0.000 0.215 753 G N 0.456 109.285 108.800 0.049 0.000 2.690 753 G HA2 0.300 4.259 3.960 -0.001 0.000 0.686 753 G HA3 0.300 4.259 3.960 -0.001 0.000 0.686 753 G C -0.513 174.425 174.900 0.062 0.000 1.277 753 G CA 0.332 45.465 45.100 0.056 0.000 0.799 753 G HN 1.876 nan 8.290 nan 0.000 0.613 754 S N -0.283 115.460 115.700 0.071 0.000 2.661 754 S HA 0.713 5.182 4.470 -0.001 0.000 0.268 754 S C 0.666 175.346 174.600 0.134 0.000 1.162 754 S CA 0.334 58.596 58.200 0.103 0.000 0.817 754 S CB 1.090 64.347 63.200 0.095 0.000 1.141 754 S HN 1.952 nan 8.310 nan 0.000 0.477 755 F N 1.344 121.309 119.950 0.026 0.000 2.043 755 F HA -0.036 4.490 4.527 -0.001 0.000 0.297 755 F C 2.023 177.839 175.800 0.026 0.000 1.121 755 F CA 1.854 59.869 58.000 0.025 0.000 1.199 755 F CB -0.452 38.560 39.000 0.020 0.000 0.968 755 F HN 0.556 nan 8.300 nan 0.000 0.478 756 I N 1.380 121.822 120.570 -0.213 0.000 2.300 756 I HA -0.380 3.790 4.170 -0.001 0.000 0.252 756 I C 1.986 177.960 176.117 -0.238 0.000 1.119 756 I CA 1.572 62.679 61.300 -0.322 0.000 1.384 756 I CB -1.232 36.724 38.000 -0.073 0.000 1.062 756 I HN 0.338 nan 8.210 nan 0.000 0.426 757 N N 0.683 119.320 118.700 -0.106 0.000 2.080 757 N HA -0.135 4.605 4.740 -0.001 0.000 0.189 757 N C 1.975 177.450 175.510 -0.059 0.000 1.036 757 N CA 1.429 54.458 53.050 -0.035 0.000 0.846 757 N CB -0.312 38.186 38.487 0.018 0.000 1.015 757 N HN 0.381 nan 8.380 nan 0.000 0.423 758 I N 1.529 122.054 120.570 -0.075 0.000 2.179 758 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 758 I C 2.416 178.451 176.117 -0.136 0.000 1.088 758 I CA 0.994 62.261 61.300 -0.055 0.000 1.357 758 I CB -0.399 37.606 38.000 0.009 0.000 1.051 758 I HN 0.058 nan 8.210 nan 0.000 0.409 759 A N 0.249 122.872 122.820 -0.328 0.000 1.948 759 A HA -0.273 4.047 4.320 -0.001 0.000 0.220 759 A C 2.243 179.671 177.584 -0.261 0.000 1.177 759 A CA 1.817 53.628 52.037 -0.376 0.000 0.636 759 A CB -0.549 18.000 19.000 -0.752 0.000 0.815 759 A HN 0.540 nan 8.150 nan 0.000 0.449 760 Q N -1.464 118.188 119.800 -0.248 0.000 2.250 760 Q HA 0.102 4.441 4.340 -0.001 0.000 0.200 760 Q C 2.213 178.048 176.000 -0.275 0.000 0.941 760 Q CA 0.913 56.527 55.803 -0.314 0.000 0.872 760 Q CB -0.138 28.414 28.738 -0.311 0.000 0.965 760 Q HN 0.678 nan 8.270 nan 0.000 0.480 761 M N 0.100 119.675 119.600 -0.041 0.000 2.077 761 M HA -0.127 4.353 4.480 -0.001 0.000 0.261 761 M C 2.107 178.414 176.300 0.012 0.000 1.070 761 M CA 1.458 56.813 55.300 0.092 0.000 1.125 761 M CB -0.059 32.606 32.600 0.109 0.000 1.339 761 M HN 0.089 nan 8.290 nan 0.000 0.409 762 S N -0.126 115.560 115.700 -0.024 0.000 2.404 762 S HA 0.248 4.718 4.470 -0.001 0.000 0.223 762 S C 0.879 175.454 174.600 -0.041 0.000 1.040 762 S CA 0.491 58.679 58.200 -0.019 0.000 0.957 762 S CB -0.003 63.194 63.200 -0.005 0.000 0.826 762 S HN 0.460 nan 8.310 nan 0.000 0.491 763 A N 0.224 123.000 122.820 -0.073 0.000 2.392 763 A HA 0.600 4.920 4.320 -0.001 0.000 0.283 763 A C 0.205 177.710 177.584 -0.132 0.000 1.197 763 A CA -0.690 51.304 52.037 -0.070 0.000 0.895 763 A CB -0.064 18.915 19.000 -0.035 0.000 1.400 763 A HN 0.440 nan 8.150 nan 0.000 0.461 764 C N 0.120 119.356 119.300 -0.107 0.000 2.012 764 C HA 0.042 4.501 4.460 -0.001 0.000 0.398 764 C C 1.826 176.647 174.990 -0.282 0.000 1.533 764 C CA 0.691 59.607 59.018 -0.170 0.000 1.483 764 C CB -1.540 26.169 27.740 -0.051 0.000 2.626 764 C HN 0.605 nan 8.230 nan 0.000 0.572 765 V N 6.772 126.436 119.914 -0.417 0.000 2.379 765 V HA 0.279 4.399 4.120 -0.001 0.000 0.245 765 V C 1.605 177.476 176.094 -0.372 0.000 1.044 765 V CA 2.102 64.100 62.300 -0.504 0.000 1.036 765 V CB -1.340 30.087 31.823 -0.660 0.000 0.664 765 V HN 1.710 nan 8.190 nan 0.000 0.453 766 G N -0.334 108.204 108.800 -0.437 0.000 2.384 766 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.668 766 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.668 766 G C -0.776 173.988 174.900 -0.227 0.000 1.280 766 G CA -0.152 44.793 45.100 -0.259 0.000 0.992 766 G HN 0.436 nan 8.290 nan 0.000 0.512 767 Q N 0.330 120.181 119.800 0.085 0.000 2.288 767 Q HA 0.551 4.890 4.340 -0.001 0.000 0.258 767 Q C 0.363 176.394 176.000 0.052 0.000 0.957 767 Q CA -0.063 55.831 55.803 0.152 0.000 0.919 767 Q CB 0.767 29.637 28.738 0.220 0.000 1.185 767 Q HN 0.512 nan 8.270 nan 0.000 0.408 768 Q N 1.717 121.541 119.800 0.040 0.000 2.354 768 Q HA 0.472 4.811 4.340 -0.001 0.000 0.244 768 Q C -0.774 175.233 176.000 0.011 0.000 0.969 768 Q CA -0.021 55.813 55.803 0.052 0.000 0.885 768 Q CB 1.629 30.424 28.738 0.095 0.000 1.241 768 Q HN 0.794 nan 8.270 nan 0.000 0.461 769 S N -0.214 115.491 115.700 0.009 0.000 2.570 769 S HA 0.728 5.198 4.470 -0.001 0.000 0.270 769 S C -1.542 173.045 174.600 -0.022 0.000 1.149 769 S CA -0.695 57.495 58.200 -0.018 0.000 0.837 769 S CB 1.507 64.700 63.200 -0.012 0.000 1.124 769 S HN 0.194 nan 8.310 nan 0.000 0.465 770 V N 2.576 122.471 119.914 -0.033 0.000 2.567 770 V HA 0.557 4.677 4.120 -0.001 0.000 0.298 770 V C -0.474 175.601 176.094 -0.031 0.000 1.047 770 V CA -0.443 61.838 62.300 -0.032 0.000 0.880 770 V CB 0.917 32.721 31.823 -0.033 0.000 1.009 770 V HN 1.150 nan 8.190 nan 0.000 0.429 771 E N 3.217 123.402 120.200 -0.026 0.000 2.442 771 E HA -0.221 4.128 4.350 -0.001 0.000 0.256 771 E C 1.137 177.723 176.600 -0.023 0.000 1.095 771 E CA 0.598 56.984 56.400 -0.023 0.000 0.747 771 E CB -1.156 28.530 29.700 -0.023 0.000 1.310 771 E HN 1.651 nan 8.360 nan 0.000 0.396 772 G N 0.048 108.835 108.800 -0.022 0.000 2.168 772 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.257 772 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.257 772 G C 0.143 175.026 174.900 -0.028 0.000 0.997 772 G CA 1.369 46.457 45.100 -0.020 0.000 0.708 772 G HN 0.344 nan 8.290 nan 0.000 0.520 773 K N -0.787 119.591 120.400 -0.037 0.000 2.409 773 K HA 0.626 4.946 4.320 -0.001 0.000 0.252 773 K C 0.531 177.094 176.600 -0.063 0.000 1.036 773 K CA -1.261 54.997 56.287 -0.049 0.000 0.871 773 K CB 1.441 33.908 32.500 -0.055 0.000 1.374 773 K HN 0.186 nan 8.250 nan 0.000 0.459 774 R N 0.693 121.145 120.500 -0.080 0.000 2.707 774 R HA 0.226 4.565 4.340 -0.001 0.000 0.270 774 R C 0.334 176.543 176.300 -0.152 0.000 1.083 774 R CA -0.780 55.255 56.100 -0.108 0.000 1.182 774 R CB -0.066 30.169 30.300 -0.109 0.000 1.084 774 R HN 0.393 nan 8.270 nan 0.000 0.528 775 I N 1.502 121.946 120.570 -0.211 0.000 2.906 775 I HA -0.131 4.039 4.170 -0.001 0.000 0.302 775 I C 1.003 177.012 176.117 -0.180 0.000 1.220 775 I CA 0.340 61.513 61.300 -0.212 0.000 1.441 775 I CB -0.855 36.879 38.000 -0.443 0.000 1.336 775 I HN 0.690 nan 8.210 nan 0.000 0.565 776 A N 7.521 130.285 122.820 -0.093 0.000 2.322 776 A HA 0.411 4.731 4.320 -0.001 0.000 0.269 776 A C 0.064 177.689 177.584 0.068 0.000 1.094 776 A CA -0.519 51.454 52.037 -0.106 0.000 0.807 776 A CB 0.101 19.065 19.000 -0.060 0.000 1.047 776 A HN 0.572 nan 8.150 nan 0.000 0.487 777 F N 2.010 121.953 119.950 -0.011 0.000 2.650 777 F HA 0.118 4.645 4.527 -0.001 0.000 0.338 777 F C 1.754 177.591 175.800 0.062 0.000 1.311 777 F CA -0.124 57.894 58.000 0.030 0.000 1.106 777 F CB 0.161 39.159 39.000 -0.004 0.000 1.500 777 F HN 0.837 nan 8.300 nan 0.000 0.670 778 G N 2.717 111.679 108.800 0.269 0.000 2.443 778 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.219 778 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.219 778 G C 0.391 175.273 174.900 -0.031 0.000 1.131 778 G CA 0.208 45.358 45.100 0.083 0.000 0.775 778 G HN 0.315 nan 8.290 nan 0.000 0.547 779 F N -0.672 119.357 119.950 0.131 0.000 2.403 779 F HA 0.470 4.996 4.527 -0.001 0.000 0.326 779 F C 0.503 176.331 175.800 0.047 0.000 1.099 779 F CA -1.022 57.018 58.000 0.067 0.000 1.036 779 F CB 1.282 40.305 39.000 0.039 0.000 1.336 779 F HN -0.280 nan 8.300 nan 0.000 0.497 780 V N 2.121 122.172 119.914 0.228 0.000 2.425 780 V HA 0.028 4.147 4.120 -0.001 0.000 0.276 780 V C -0.319 175.774 176.094 -0.002 0.000 1.017 780 V CA -0.153 62.212 62.300 0.109 0.000 1.062 780 V CB -0.547 31.324 31.823 0.080 0.000 0.997 780 V HN 0.801 nan 8.190 nan 0.000 0.476 781 D N 3.063 123.435 120.400 -0.047 0.000 2.945 781 D HA -0.189 4.450 4.640 -0.001 0.000 0.225 781 D C 0.428 176.044 176.300 -1.141 0.000 1.158 781 D CA 1.374 55.125 54.000 -0.415 0.000 0.805 781 D CB -0.540 40.147 40.800 -0.190 0.000 1.098 781 D HN 0.943 nan 8.370 nan 0.000 0.426 782 R N -2.667 117.357 120.500 -0.794 0.000 2.663 782 R HA 0.495 4.835 4.340 -0.001 0.000 0.267 782 R C 0.947 177.297 176.300 0.083 0.000 1.038 782 R CA -0.457 55.283 56.100 -0.599 0.000 0.886 782 R CB 0.429 30.591 30.300 -0.230 0.000 1.249 782 R HN -0.124 nan 8.270 nan 0.000 0.463 783 T N -0.766 113.953 114.554 0.275 0.000 2.985 783 T HA 0.215 4.564 4.350 -0.001 0.000 0.266 783 T C 0.796 175.916 174.700 0.701 0.000 1.076 783 T CA 0.473 62.895 62.100 0.537 0.000 1.135 783 T CB -0.005 69.145 68.868 0.471 0.000 0.890 783 T HN 0.367 nan 8.240 nan 0.000 0.480 784 L N 0.855 122.423 121.223 0.577 0.000 2.465 784 L HA 0.384 4.723 4.340 -0.001 0.000 0.257 784 L C -2.000 174.772 176.870 -0.163 0.000 0.988 784 L CA -2.452 52.590 54.840 0.335 0.000 0.827 784 L CB 2.915 45.293 42.059 0.532 0.000 1.397 784 L HN -0.263 nan 8.230 nan 0.000 0.410 785 P HA -0.132 nan 4.420 nan 0.000 0.234 785 P C 0.720 177.678 177.300 -0.570 0.000 1.167 785 P CA 1.159 63.779 63.100 -0.800 0.000 0.763 785 P CB 0.054 31.181 31.700 -0.956 0.000 0.835 786 H N -1.860 117.043 119.070 -0.277 0.000 2.539 786 H HA 0.206 4.762 4.556 -0.001 0.000 0.267 786 H C 0.566 175.637 175.328 -0.429 0.000 0.982 786 H CA 0.243 56.075 56.048 -0.360 0.000 1.146 786 H CB -0.159 29.317 29.762 -0.476 0.000 1.382 786 H HN 0.208 nan 8.280 nan 0.000 0.577 787 F N 0.028 119.980 119.950 0.003 0.000 2.557 787 F HA 0.317 4.843 4.527 -0.001 0.000 0.336 787 F C 0.856 176.619 175.800 -0.062 0.000 1.058 787 F CA -0.963 57.041 58.000 0.007 0.000 0.988 787 F CB 1.539 40.568 39.000 0.048 0.000 1.275 787 F HN -0.217 nan 8.300 nan 0.000 0.488 788 S N 0.496 116.310 115.700 0.191 0.000 2.646 788 S HA 0.340 4.809 4.470 -0.001 0.000 0.276 788 S C -0.391 174.199 174.600 -0.017 0.000 1.222 788 S CA -0.823 57.410 58.200 0.055 0.000 1.014 788 S CB 0.500 63.737 63.200 0.062 0.000 0.991 788 S HN 0.447 nan 8.310 nan 0.000 0.533 789 K N 1.997 122.358 120.400 -0.064 0.000 2.414 789 K HA 0.042 4.361 4.320 -0.001 0.000 0.272 789 K C -0.284 176.245 176.600 -0.119 0.000 0.993 789 K CA 0.236 56.437 56.287 -0.144 0.000 0.964 789 K CB 0.080 32.525 32.500 -0.092 0.000 0.925 789 K HN 0.651 nan 8.250 nan 0.000 0.487 790 D N 1.173 121.435 120.400 -0.230 0.000 2.870 790 D HA -0.160 4.479 4.640 -0.001 0.000 0.228 790 D C -0.594 175.788 176.300 0.137 0.000 1.147 790 D CA 1.113 55.127 54.000 0.024 0.000 0.757 790 D CB -0.951 39.950 40.800 0.168 0.000 1.091 790 D HN 0.565 nan 8.370 nan 0.000 0.429 791 D N -0.053 120.312 120.400 -0.058 0.000 2.411 791 D HA 0.094 4.733 4.640 -0.001 0.000 0.225 791 D C 0.284 176.641 176.300 0.095 0.000 1.156 791 D CA -0.336 53.704 54.000 0.066 0.000 0.874 791 D CB -0.085 40.716 40.800 0.002 0.000 1.034 791 D HN 0.132 nan 8.370 nan 0.000 0.502 792 Y N 1.461 121.882 120.300 0.203 0.000 2.532 792 Y HA 0.084 4.634 4.550 -0.001 0.000 0.283 792 Y C 1.491 177.510 175.900 0.198 0.000 1.181 792 Y CA -0.416 57.827 58.100 0.239 0.000 1.256 792 Y CB -0.305 38.293 38.460 0.230 0.000 1.112 792 Y HN 0.236 nan 8.280 nan 0.000 0.521 793 S N 0.722 116.556 115.700 0.223 0.000 2.608 793 S HA 0.102 4.571 4.470 -0.001 0.000 0.261 793 S C -1.369 173.294 174.600 0.105 0.000 1.314 793 S CA -1.038 57.261 58.200 0.164 0.000 0.992 793 S CB 1.060 64.342 63.200 0.137 0.000 0.935 793 S HN 0.071 nan 8.310 nan 0.000 0.564 794 P HA -0.051 nan 4.420 nan 0.000 0.219 794 P C 0.706 178.122 177.300 0.194 0.000 1.150 794 P CA 1.186 64.341 63.100 0.092 0.000 0.814 794 P CB -0.054 31.624 31.700 -0.037 0.000 0.787 795 E N 0.045 120.371 120.200 0.210 0.000 2.152 795 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 795 E C 2.346 179.065 176.600 0.198 0.000 0.983 795 E CA 1.039 57.620 56.400 0.301 0.000 0.818 795 E CB -0.962 28.948 29.700 0.351 0.000 0.758 795 E HN 0.165 nan 8.360 nan 0.000 0.467 796 S N 0.513 116.142 115.700 -0.119 0.000 2.355 796 S HA -0.104 4.366 4.470 -0.001 0.000 0.222 796 S C 1.138 175.525 174.600 -0.354 0.000 1.031 796 S CA 1.017 58.839 58.200 -0.629 0.000 0.993 796 S CB 0.021 62.937 63.200 -0.473 0.000 0.859 796 S HN 0.063 nan 8.310 nan 0.000 0.453 797 K N 0.540 120.807 120.400 -0.221 0.000 2.969 797 K HA 0.360 4.679 4.320 -0.001 0.000 0.222 797 K C 0.593 176.953 176.600 -0.400 0.000 1.172 797 K CA 0.327 56.416 56.287 -0.330 0.000 1.192 797 K CB 0.281 32.665 32.500 -0.193 0.000 1.111 797 K HN 0.458 nan 8.250 nan 0.000 0.457 798 G N 1.450 109.933 108.800 -0.530 0.000 2.131 798 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.223 798 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.223 798 G C -0.269 174.690 174.900 0.097 0.000 0.990 798 G CA -0.515 44.426 45.100 -0.264 0.000 0.671 798 G HN 0.421 nan 8.290 nan 0.000 0.521 799 F N 1.581 121.548 119.950 0.029 0.000 2.438 799 F HA 0.571 5.098 4.527 -0.001 0.000 0.356 799 F C 0.401 176.256 175.800 0.091 0.000 1.099 799 F CA -0.832 57.195 58.000 0.045 0.000 1.185 799 F CB 1.355 40.379 39.000 0.040 0.000 1.115 799 F HN -0.004 nan 8.300 nan 0.000 0.526 800 V N 8.120 127.630 119.914 -0.674 0.000 2.304 800 V HA 0.084 4.204 4.120 -0.001 0.000 0.269 800 V C 0.956 176.500 176.094 -0.917 0.000 1.036 800 V CA -0.186 61.799 62.300 -0.526 0.000 0.840 800 V CB 0.868 32.471 31.823 -0.368 0.000 1.036 800 V HN 0.962 nan 8.190 nan 0.000 0.466 801 E N 4.436 124.307 120.200 -0.548 0.000 2.072 801 E HA -0.085 4.265 4.350 -0.001 0.000 0.190 801 E C 0.982 177.460 176.600 -0.203 0.000 0.982 801 E CA 0.513 56.737 56.400 -0.292 0.000 0.803 801 E CB 0.251 30.017 29.700 0.110 0.000 0.755 801 E HN 0.736 nan 8.360 nan 0.000 0.453 802 N N 1.049 119.653 118.700 -0.159 0.000 2.340 802 N HA -0.031 4.708 4.740 -0.001 0.000 0.236 802 N C 0.018 175.404 175.510 -0.207 0.000 1.296 802 N CA 0.565 53.539 53.050 -0.126 0.000 0.896 802 N CB 1.145 39.592 38.487 -0.066 0.000 1.127 802 N HN 0.145 nan 8.380 nan 0.000 0.442 803 S N -0.146 115.459 115.700 -0.158 0.000 2.745 803 S HA 0.275 4.744 4.470 -0.001 0.000 0.292 803 S C 1.009 175.517 174.600 -0.153 0.000 1.127 803 S CA -0.613 57.453 58.200 -0.224 0.000 1.007 803 S CB 0.358 63.483 63.200 -0.126 0.000 1.165 803 S HN 0.576 nan 8.310 nan 0.000 0.544 804 Y N -0.483 119.784 120.300 -0.055 0.000 2.337 804 Y HA -0.005 4.545 4.550 -0.001 0.000 0.293 804 Y C 2.242 178.133 175.900 -0.015 0.000 1.123 804 Y CA 0.393 58.475 58.100 -0.031 0.000 1.201 804 Y CB -0.087 38.357 38.460 -0.028 0.000 1.011 804 Y HN 0.530 nan 8.280 nan 0.000 0.545 805 L N 0.642 121.940 121.223 0.125 0.000 2.056 805 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 805 L C 2.199 179.099 176.870 0.050 0.000 1.078 805 L CA 1.749 56.631 54.840 0.071 0.000 0.749 805 L CB -0.513 41.570 42.059 0.040 0.000 0.901 805 L HN -0.000 nan 8.230 nan 0.000 0.433 806 R N -0.266 120.253 120.500 0.032 0.000 2.115 806 R HA 0.209 4.548 4.340 -0.001 0.000 0.226 806 R C 0.382 176.702 176.300 0.032 0.000 1.100 806 R CA 0.652 56.764 56.100 0.020 0.000 0.980 806 R CB -0.261 30.040 30.300 0.001 0.000 0.875 806 R HN 0.587 nan 8.270 nan 0.000 0.445 807 G N 0.399 109.235 108.800 0.059 0.000 2.907 807 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.686 807 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.686 807 G C -1.132 173.809 174.900 0.069 0.000 1.115 807 G CA -1.042 44.105 45.100 0.080 0.000 0.760 807 G HN 0.000 nan 8.290 nan 0.000 0.620 808 L N 1.764 123.059 121.223 0.120 0.000 2.418 808 L HA 0.674 5.013 4.340 -0.001 0.000 0.265 808 L C 1.770 178.691 176.870 0.085 0.000 1.143 808 L CA 0.315 55.224 54.840 0.115 0.000 0.809 808 L CB 1.018 43.205 42.059 0.214 0.000 1.124 808 L HN 1.001 nan 8.230 nan 0.000 0.456 809 T N -0.979 113.613 114.554 0.065 0.000 2.828 809 T HA 0.273 4.623 4.350 -0.001 0.000 0.290 809 T C -1.737 172.979 174.700 0.027 0.000 1.019 809 T CA -1.438 60.673 62.100 0.020 0.000 1.031 809 T CB 0.818 69.695 68.868 0.015 0.000 1.001 809 T HN 0.533 nan 8.240 nan 0.000 0.531 810 P HA -0.163 nan 4.420 nan 0.000 0.216 810 P C 1.239 178.531 177.300 -0.014 0.000 1.150 810 P CA 1.315 64.374 63.100 -0.069 0.000 0.843 810 P CB 0.139 31.735 31.700 -0.175 0.000 0.787 811 Q N 0.357 120.086 119.800 -0.119 0.000 2.046 811 Q HA -0.129 4.211 4.340 -0.001 0.000 0.200 811 Q C 2.311 178.197 176.000 -0.192 0.000 0.975 811 Q CA 1.453 57.105 55.803 -0.252 0.000 0.836 811 Q CB -0.704 27.931 28.738 -0.171 0.000 0.896 811 Q HN 0.404 nan 8.270 nan 0.000 0.428 812 E N -0.185 120.051 120.200 0.061 0.000 2.160 812 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 812 E C 1.578 178.327 176.600 0.249 0.000 0.991 812 E CA 0.833 57.346 56.400 0.188 0.000 0.810 812 E CB -0.183 29.596 29.700 0.131 0.000 0.742 812 E HN 0.264 nan 8.360 nan 0.000 0.466 813 F N 0.614 120.614 119.950 0.084 0.000 2.060 813 F HA -0.208 4.319 4.527 -0.001 0.000 0.295 813 F C 2.053 177.957 175.800 0.173 0.000 1.120 813 F CA 1.356 59.439 58.000 0.138 0.000 1.205 813 F CB -0.333 38.725 39.000 0.097 0.000 0.986 813 F HN -0.062 nan 8.300 nan 0.000 0.470 814 F N 0.218 120.284 119.950 0.193 0.000 2.126 814 F HA -0.225 4.301 4.527 -0.001 0.000 0.299 814 F C 2.136 178.015 175.800 0.132 0.000 1.096 814 F CA 1.693 59.743 58.000 0.084 0.000 1.255 814 F CB -0.854 38.167 39.000 0.034 0.000 0.997 814 F HN 0.033 nan 8.300 nan 0.000 0.479 815 F N -1.297 118.794 119.950 0.235 0.000 2.095 815 F HA -0.295 4.232 4.527 -0.001 0.000 0.298 815 F C 2.647 178.467 175.800 0.033 0.000 1.104 815 F CA 1.223 59.299 58.000 0.127 0.000 1.232 815 F CB -0.771 38.339 39.000 0.183 0.000 0.987 815 F HN 0.050 nan 8.300 nan 0.000 0.475 816 H N 0.461 119.605 119.070 0.124 0.000 2.421 816 H HA -0.087 4.468 4.556 -0.001 0.000 0.298 816 H C 1.943 177.186 175.328 -0.141 0.000 1.087 816 H CA 1.191 57.230 56.048 -0.015 0.000 1.330 816 H CB -0.222 29.525 29.762 -0.026 0.000 1.388 816 H HN 0.167 nan 8.280 nan 0.000 0.526 817 A N -0.150 122.495 122.820 -0.292 0.000 2.014 817 A HA -0.057 4.263 4.320 -0.001 0.000 0.218 817 A C 2.400 179.768 177.584 -0.360 0.000 1.163 817 A CA 1.237 53.007 52.037 -0.445 0.000 0.652 817 A CB -0.477 18.212 19.000 -0.518 0.000 0.808 817 A HN 0.475 nan 8.150 nan 0.000 0.449 818 M N -0.655 118.762 119.600 -0.306 0.000 2.156 818 M HA -0.019 4.461 4.480 -0.001 0.000 0.264 818 M C 2.318 178.537 176.300 -0.134 0.000 1.067 818 M CA 1.319 56.487 55.300 -0.219 0.000 1.131 818 M CB -0.484 32.039 32.600 -0.129 0.000 1.368 818 M HN 0.471 nan 8.290 nan 0.000 0.416 819 G N 0.123 108.866 108.800 -0.094 0.000 2.433 819 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.216 819 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.216 819 G C 1.533 176.360 174.900 -0.121 0.000 1.186 819 G CA 0.985 46.048 45.100 -0.062 0.000 0.779 819 G HN 0.538 nan 8.290 nan 0.000 0.543 820 G N 0.819 109.479 108.800 -0.232 0.000 2.491 820 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.218 820 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.218 820 G C 1.859 176.653 174.900 -0.178 0.000 1.180 820 G CA 1.462 46.406 45.100 -0.259 0.000 0.774 820 G HN 0.503 nan 8.290 nan 0.000 0.562 821 R N 0.778 121.171 120.500 -0.179 0.000 2.113 821 R HA -0.131 4.209 4.340 -0.001 0.000 0.244 821 R C 2.383 178.626 176.300 -0.095 0.000 1.142 821 R CA 2.218 58.239 56.100 -0.132 0.000 0.953 821 R CB -0.760 29.460 30.300 -0.132 0.000 0.860 821 R HN 0.531 nan 8.270 nan 0.000 0.438 822 E N -1.282 118.866 120.200 -0.087 0.000 2.130 822 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 822 E C 1.713 178.279 176.600 -0.056 0.000 0.998 822 E CA 1.357 57.720 56.400 -0.062 0.000 0.806 822 E CB -0.376 29.293 29.700 -0.052 0.000 0.738 822 E HN 0.618 nan 8.360 nan 0.000 0.459 823 G N 0.813 109.574 108.800 -0.065 0.000 2.402 823 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.216 823 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.216 823 G C 1.556 176.423 174.900 -0.054 0.000 1.162 823 G CA 0.464 45.531 45.100 -0.055 0.000 0.777 823 G HN 0.169 nan 8.290 nan 0.000 0.539 824 L N 0.168 121.352 121.223 -0.065 0.000 2.046 824 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 824 L C 2.839 179.681 176.870 -0.048 0.000 1.077 824 L CA 0.826 55.631 54.840 -0.058 0.000 0.747 824 L CB -0.392 41.627 42.059 -0.066 0.000 0.896 824 L HN 0.214 nan 8.230 nan 0.000 0.432 825 I N -0.389 120.152 120.570 -0.048 0.000 2.202 825 I HA -0.245 3.924 4.170 -0.001 0.000 0.242 825 I C 2.024 178.120 176.117 -0.035 0.000 1.091 825 I CA 1.103 62.379 61.300 -0.040 0.000 1.368 825 I CB -0.477 37.499 38.000 -0.040 0.000 1.058 825 I HN 0.205 nan 8.210 nan 0.000 0.410 826 D N 0.555 120.934 120.400 -0.035 0.000 2.178 826 D HA -0.139 4.501 4.640 -0.001 0.000 0.201 826 D C 2.220 178.503 176.300 -0.029 0.000 0.980 826 D CA 1.382 55.364 54.000 -0.030 0.000 0.842 826 D CB -0.380 40.403 40.800 -0.029 0.000 0.948 826 D HN 0.243 nan 8.370 nan 0.000 0.472 827 T N 0.274 114.809 114.554 -0.032 0.000 2.821 827 T HA -0.074 4.276 4.350 -0.001 0.000 0.267 827 T C 1.979 176.661 174.700 -0.030 0.000 1.046 827 T CA 1.296 63.377 62.100 -0.031 0.000 1.139 827 T CB -0.189 68.658 68.868 -0.034 0.000 0.871 827 T HN 0.195 nan 8.240 nan 0.000 0.454 828 A N 0.795 123.597 122.820 -0.031 0.000 1.902 828 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 828 A C 2.546 180.114 177.584 -0.027 0.000 1.181 828 A CA 1.254 53.273 52.037 -0.029 0.000 0.623 828 A CB -0.900 18.082 19.000 -0.030 0.000 0.818 828 A HN 0.355 nan 8.150 nan 0.000 0.443 829 V N -0.217 119.682 119.914 -0.027 0.000 2.270 829 V HA -0.208 3.912 4.120 -0.001 0.000 0.245 829 V C 2.495 178.578 176.094 -0.019 0.000 1.043 829 V CA 2.351 64.636 62.300 -0.024 0.000 1.014 829 V CB -0.608 31.200 31.823 -0.024 0.000 0.645 829 V HN 0.468 nan 8.190 nan 0.000 0.447 830 K N 0.068 120.455 120.400 -0.021 0.000 2.160 830 K HA -0.162 4.158 4.320 -0.001 0.000 0.206 830 K C 2.148 178.737 176.600 -0.019 0.000 1.047 830 K CA 1.978 58.254 56.287 -0.019 0.000 0.930 830 K CB -0.669 31.817 32.500 -0.023 0.000 0.720 830 K HN 0.519 nan 8.250 nan 0.000 0.450 831 T N -0.335 114.206 114.554 -0.021 0.000 2.851 831 T HA -0.023 4.327 4.350 -0.001 0.000 0.262 831 T C 1.797 176.490 174.700 -0.013 0.000 1.043 831 T CA 1.157 63.244 62.100 -0.021 0.000 1.140 831 T CB -0.217 68.637 68.868 -0.024 0.000 0.872 831 T HN 0.306 nan 8.240 nan 0.000 0.446 832 A N 1.485 124.297 122.820 -0.013 0.000 1.898 832 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 832 A C 2.202 179.794 177.584 0.013 0.000 1.181 832 A CA 1.309 53.341 52.037 -0.008 0.000 0.620 832 A CB -0.411 18.575 19.000 -0.023 0.000 0.819 832 A HN 0.497 nan 8.150 nan 0.000 0.442 833 E N -0.882 119.325 120.200 0.012 0.000 2.046 833 E HA -0.105 4.245 4.350 -0.001 0.000 0.190 833 E C 2.060 178.701 176.600 0.067 0.000 0.982 833 E CA 1.516 57.941 56.400 0.042 0.000 0.800 833 E CB -0.220 29.493 29.700 0.021 0.000 0.756 833 E HN 0.564 nan 8.360 nan 0.000 0.449 834 T N 0.165 114.734 114.554 0.024 0.000 2.788 834 T HA -0.119 4.231 4.350 -0.001 0.000 0.268 834 T C 1.857 176.560 174.700 0.004 0.000 1.044 834 T CA 1.129 63.231 62.100 0.003 0.000 1.139 834 T CB -0.501 68.353 68.868 -0.023 0.000 0.867 834 T HN 0.346 nan 8.240 nan 0.000 0.454 835 G N 0.004 108.815 108.800 0.018 0.000 2.442 835 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.219 835 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.219 835 G C 1.373 176.300 174.900 0.044 0.000 1.141 835 G CA 0.818 45.927 45.100 0.016 0.000 0.763 835 G HN 0.556 nan 8.290 nan 0.000 0.554 836 Y N 1.106 121.379 120.300 -0.045 0.000 2.220 836 Y HA 0.092 4.642 4.550 -0.001 0.000 0.291 836 Y C 2.557 178.430 175.900 -0.045 0.000 1.129 836 Y CA 0.812 58.884 58.100 -0.046 0.000 1.161 836 Y CB -0.158 38.274 38.460 -0.047 0.000 0.997 836 Y HN 0.168 nan 8.280 nan 0.000 0.522 837 I N 0.256 120.756 120.570 -0.117 0.000 2.208 837 I HA -0.329 3.840 4.170 -0.001 0.000 0.245 837 I C 2.551 178.553 176.117 -0.191 0.000 1.097 837 I CA 1.606 62.794 61.300 -0.187 0.000 1.363 837 I CB -0.507 37.455 38.000 -0.062 0.000 1.051 837 I HN 0.308 nan 8.210 nan 0.000 0.413 838 Q N 1.284 121.006 119.800 -0.130 0.000 2.181 838 Q HA -0.195 4.144 4.340 -0.001 0.000 0.205 838 Q C 2.164 178.086 176.000 -0.130 0.000 0.980 838 Q CA 1.564 57.300 55.803 -0.112 0.000 0.862 838 Q CB 0.006 28.694 28.738 -0.082 0.000 0.905 838 Q HN 0.511 nan 8.270 nan 0.000 0.429 839 R N -0.681 119.716 120.500 -0.172 0.000 2.210 839 R HA 0.082 4.422 4.340 -0.001 0.000 0.203 839 R C 2.073 178.244 176.300 -0.215 0.000 1.010 839 R CA 0.100 56.100 56.100 -0.167 0.000 1.008 839 R CB 0.164 30.380 30.300 -0.140 0.000 0.923 839 R HN 0.086 nan 8.270 nan 0.000 0.469 840 R N 0.806 121.112 120.500 -0.324 0.000 2.100 840 R HA 0.075 4.415 4.340 -0.001 0.000 0.220 840 R C 2.288 178.486 176.300 -0.169 0.000 1.091 840 R CA 0.642 56.564 56.100 -0.297 0.000 0.986 840 R CB -0.529 29.506 30.300 -0.441 0.000 0.888 840 R HN 0.216 nan 8.270 nan 0.000 0.444 841 L N 0.378 121.511 121.223 -0.150 0.000 2.017 841 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 841 L C 2.448 179.275 176.870 -0.072 0.000 1.073 841 L CA 1.130 55.912 54.840 -0.095 0.000 0.745 841 L CB -0.562 41.444 42.059 -0.088 0.000 0.894 841 L HN -0.074 nan 8.230 nan 0.000 0.432 842 V N 0.102 119.970 119.914 -0.077 0.000 2.237 842 V HA -0.345 3.774 4.120 -0.001 0.000 0.245 842 V C 2.547 178.612 176.094 -0.049 0.000 1.046 842 V CA 2.110 64.377 62.300 -0.056 0.000 1.007 842 V CB -0.586 31.203 31.823 -0.057 0.000 0.638 842 V HN 0.454 nan 8.190 nan 0.000 0.445 843 K N 0.212 120.575 120.400 -0.061 0.000 2.089 843 K HA -0.275 4.045 4.320 -0.001 0.000 0.210 843 K C 2.040 178.621 176.600 -0.032 0.000 1.048 843 K CA 2.008 58.267 56.287 -0.048 0.000 0.926 843 K CB -0.351 32.111 32.500 -0.063 0.000 0.714 843 K HN 0.461 nan 8.250 nan 0.000 0.448 844 A N 0.413 123.211 122.820 -0.036 0.000 1.968 844 A HA 0.016 4.335 4.320 -0.001 0.000 0.217 844 A C 1.746 179.324 177.584 -0.010 0.000 1.169 844 A CA 0.920 52.946 52.037 -0.019 0.000 0.638 844 A CB -0.085 18.904 19.000 -0.020 0.000 0.812 844 A HN 0.334 nan 8.150 nan 0.000 0.446 845 L N -1.188 120.027 121.223 -0.013 0.000 2.728 845 L HA 0.191 4.531 4.340 -0.001 0.000 0.238 845 L C 1.818 178.686 176.870 -0.004 0.000 1.143 845 L CA 0.240 55.078 54.840 -0.002 0.000 0.937 845 L CB -0.053 42.008 42.059 0.004 0.000 1.225 845 L HN 0.465 nan 8.230 nan 0.000 0.507 846 E N 1.727 121.921 120.200 -0.011 0.000 2.209 846 E HA -0.253 4.096 4.350 -0.001 0.000 0.196 846 E C 1.003 177.597 176.600 -0.010 0.000 0.993 846 E CA 1.651 58.044 56.400 -0.013 0.000 0.819 846 E CB 0.242 29.932 29.700 -0.017 0.000 0.745 846 E HN 0.585 nan 8.360 nan 0.000 0.477 847 D N -0.305 120.093 120.400 -0.003 0.000 2.368 847 D HA 0.021 4.661 4.640 -0.001 0.000 0.218 847 D C 0.316 176.623 176.300 0.012 0.000 1.112 847 D CA -0.198 53.804 54.000 0.003 0.000 0.834 847 D CB -0.187 40.618 40.800 0.009 0.000 0.953 847 D HN 0.173 nan 8.370 nan 0.000 0.505 848 I N 1.330 121.904 120.570 0.006 0.000 2.352 848 I HA 0.255 4.425 4.170 -0.001 0.000 0.290 848 I C 0.301 176.412 176.117 -0.010 0.000 1.036 848 I CA -0.322 60.986 61.300 0.013 0.000 1.336 848 I CB 1.093 39.103 38.000 0.016 0.000 1.407 848 I HN -0.026 nan 8.210 nan 0.000 0.497 849 M N 6.556 126.159 119.600 0.005 0.000 2.572 849 M HA 0.511 4.990 4.480 -0.001 0.000 0.299 849 M C -1.638 174.625 176.300 -0.061 0.000 1.205 849 M CA -0.743 54.513 55.300 -0.073 0.000 0.876 849 M CB 2.332 34.856 32.600 -0.126 0.000 1.728 849 M HN 0.198 nan 8.290 nan 0.000 0.458 850 V N 4.740 124.540 119.914 -0.190 0.000 2.455 850 V HA 0.268 4.387 4.120 -0.001 0.000 0.273 850 V C 0.262 176.225 176.094 -0.218 0.000 1.045 850 V CA -0.193 62.006 62.300 -0.169 0.000 0.976 850 V CB 0.453 32.108 31.823 -0.279 0.000 0.993 850 V HN 0.789 nan 8.190 nan 0.000 0.475 851 H N 3.425 122.417 119.070 -0.130 0.000 2.497 851 H HA 0.202 4.758 4.556 -0.001 0.000 0.348 851 H C 0.318 175.548 175.328 -0.162 0.000 1.335 851 H CA -0.279 55.700 56.048 -0.115 0.000 1.395 851 H CB 1.094 30.853 29.762 -0.005 0.000 1.658 851 H HN 0.585 nan 8.280 nan 0.000 0.613 852 Y N 0.490 120.860 120.300 0.116 0.000 2.483 852 Y HA -0.172 4.377 4.550 -0.001 0.000 0.291 852 Y C 1.570 177.507 175.900 0.061 0.000 1.143 852 Y CA 1.158 59.294 58.100 0.061 0.000 1.289 852 Y CB -0.089 38.398 38.460 0.045 0.000 0.983 852 Y HN 0.593 nan 8.280 nan 0.000 0.556 853 D N -2.129 118.388 120.400 0.196 0.000 2.319 853 D HA -0.031 4.608 4.640 -0.001 0.000 0.230 853 D C 0.254 176.616 176.300 0.102 0.000 1.094 853 D CA 0.165 54.245 54.000 0.134 0.000 0.856 853 D CB -0.619 40.249 40.800 0.114 0.000 0.915 853 D HN 0.167 nan 8.370 nan 0.000 0.517 854 N N -1.246 117.503 118.700 0.081 0.000 2.909 854 N HA -0.174 4.566 4.740 -0.001 0.000 0.242 854 N C -0.487 175.077 175.510 0.090 0.000 0.975 854 N CA 1.164 54.258 53.050 0.072 0.000 0.921 854 N CB -1.546 36.990 38.487 0.082 0.000 1.112 854 N HN 0.333 nan 8.380 nan 0.000 0.581 855 T N 0.747 115.349 114.554 0.081 0.000 2.909 855 T HA 0.328 4.678 4.350 -0.001 0.000 0.289 855 T C 0.086 174.814 174.700 0.046 0.000 1.005 855 T CA 0.314 62.438 62.100 0.040 0.000 1.084 855 T CB 1.001 69.856 68.868 -0.022 0.000 0.975 855 T HN 0.020 nan 8.240 nan 0.000 0.509 856 T N 6.093 120.655 114.554 0.013 0.000 2.756 856 T HA 0.555 4.905 4.350 -0.001 0.000 0.290 856 T C -0.087 174.598 174.700 -0.025 0.000 0.985 856 T CA -0.600 61.520 62.100 0.034 0.000 0.955 856 T CB 0.536 69.453 68.868 0.082 0.000 0.930 856 T HN 0.457 nan 8.240 nan 0.000 0.451 857 R N 2.154 122.665 120.500 0.018 0.000 2.808 857 R HA 0.445 4.784 4.340 -0.001 0.000 0.272 857 R C -0.108 176.202 176.300 0.017 0.000 0.995 857 R CA -1.025 55.043 56.100 -0.053 0.000 0.917 857 R CB 1.995 32.166 30.300 -0.215 0.000 1.217 857 R HN 0.806 nan 8.270 nan 0.000 0.471 858 N N -1.379 117.314 118.700 -0.012 0.000 2.447 858 N HA 0.072 4.811 4.740 -0.001 0.000 0.271 858 N C 0.702 176.225 175.510 0.020 0.000 1.226 858 N CA -0.432 52.625 53.050 0.011 0.000 0.980 858 N CB 1.180 39.665 38.487 -0.002 0.000 1.206 858 N HN 0.532 nan 8.380 nan 0.000 0.558 859 S N 0.296 116.011 115.700 0.026 0.000 2.420 859 S HA -0.186 4.283 4.470 -0.001 0.000 0.237 859 S C 1.715 176.325 174.600 0.016 0.000 1.023 859 S CA 0.969 59.187 58.200 0.030 0.000 0.991 859 S CB -0.795 62.419 63.200 0.023 0.000 0.792 859 S HN 0.572 nan 8.310 nan 0.000 0.488 860 L N 0.875 122.098 121.223 0.001 0.000 2.478 860 L HA 0.248 4.587 4.340 -0.001 0.000 0.223 860 L C 2.038 178.894 176.870 -0.024 0.000 1.140 860 L CA 0.477 55.314 54.840 -0.006 0.000 0.842 860 L CB -0.913 41.141 42.059 -0.007 0.000 0.953 860 L HN 0.611 nan 8.230 nan 0.000 0.452 861 G N -0.397 108.376 108.800 -0.045 0.000 2.141 861 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.231 861 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.231 861 G C 0.012 174.846 174.900 -0.110 0.000 0.984 861 G CA -0.334 44.706 45.100 -0.101 0.000 0.660 861 G HN 0.314 nan 8.290 nan 0.000 0.525 862 N N 0.014 118.666 118.700 -0.080 0.000 2.518 862 N HA 0.372 5.112 4.740 -0.001 0.000 0.266 862 N C 0.517 175.947 175.510 -0.133 0.000 1.196 862 N CA -0.082 52.918 53.050 -0.084 0.000 0.947 862 N CB 1.569 40.025 38.487 -0.051 0.000 1.098 862 N HN 0.097 nan 8.380 nan 0.000 0.450 863 V N 3.681 123.484 119.914 -0.186 0.000 2.455 863 V HA 0.127 4.247 4.120 -0.001 0.000 0.273 863 V C 1.592 177.532 176.094 -0.256 0.000 1.045 863 V CA -0.021 62.090 62.300 -0.316 0.000 0.976 863 V CB 0.483 31.937 31.823 -0.614 0.000 0.993 863 V HN 0.601 nan 8.190 nan 0.000 0.475 864 I N 2.992 123.448 120.570 -0.191 0.000 2.927 864 I HA 0.149 4.319 4.170 -0.001 0.000 0.268 864 I C 0.611 176.675 176.117 -0.088 0.000 1.153 864 I CA 0.623 61.864 61.300 -0.098 0.000 1.459 864 I CB 0.367 38.346 38.000 -0.035 0.000 1.149 864 I HN 0.604 nan 8.210 nan 0.000 0.443 865 Q N -0.446 119.278 119.800 -0.127 0.000 2.268 865 Q HA 0.276 4.616 4.340 -0.001 0.000 0.266 865 Q C -0.490 175.443 176.000 -0.111 0.000 1.006 865 Q CA -0.489 55.296 55.803 -0.031 0.000 0.824 865 Q CB 2.233 31.017 28.738 0.077 0.000 1.306 865 Q HN 0.003 nan 8.270 nan 0.000 0.424 866 F N 1.028 121.007 119.950 0.048 0.000 2.451 866 F HA 0.090 4.617 4.527 -0.001 0.000 0.299 866 F C 0.891 176.727 175.800 0.059 0.000 1.101 866 F CA 0.930 58.956 58.000 0.044 0.000 1.436 866 F CB 0.434 39.452 39.000 0.030 0.000 1.074 866 F HN 0.404 nan 8.300 nan 0.000 0.553 867 I N -1.638 119.050 120.570 0.196 0.000 2.722 867 I HA 0.147 4.316 4.170 -0.001 0.000 0.292 867 I C -1.234 174.990 176.117 0.178 0.000 1.267 867 I CA -1.292 60.107 61.300 0.165 0.000 1.036 867 I CB 1.384 39.470 38.000 0.144 0.000 1.281 867 I HN -0.260 nan 8.210 nan 0.000 0.423 868 Y N 6.716 127.042 120.300 0.043 0.000 2.717 868 Y HA 0.295 4.845 4.550 -0.001 0.000 0.330 868 Y C 1.264 177.193 175.900 0.049 0.000 1.217 868 Y CA 0.945 59.066 58.100 0.034 0.000 1.506 868 Y CB 0.615 39.086 38.460 0.018 0.000 1.268 868 Y HN 0.792 nan 8.280 nan 0.000 0.561 869 G N 4.832 113.406 108.800 -0.376 0.000 2.337 869 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.290 869 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.290 869 G C 0.428 175.281 174.900 -0.078 0.000 1.003 869 G CA 0.777 45.676 45.100 -0.334 0.000 0.825 869 G HN 1.017 nan 8.290 nan 0.000 0.509 870 E N -2.074 118.128 120.200 0.003 0.000 2.971 870 E HA -0.346 4.003 4.350 -0.001 0.000 0.271 870 E C 0.843 177.448 176.600 0.009 0.000 1.053 870 E CA 1.451 57.870 56.400 0.031 0.000 0.817 870 E CB -1.001 28.717 29.700 0.030 0.000 1.410 870 E HN 0.909 nan 8.360 nan 0.000 0.445 871 D N -2.003 118.392 120.400 -0.008 0.000 2.460 871 D HA 0.166 4.806 4.640 -0.001 0.000 0.263 871 D C 1.053 177.361 176.300 0.013 0.000 1.209 871 D CA 0.345 54.349 54.000 0.007 0.000 0.818 871 D CB -0.223 40.569 40.800 -0.013 0.000 1.239 871 D HN 0.269 nan 8.370 nan 0.000 0.530 872 G N 0.752 109.573 108.800 0.035 0.000 2.283 872 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.280 872 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.280 872 G C -0.118 174.814 174.900 0.053 0.000 1.029 872 G CA 0.855 46.010 45.100 0.092 0.000 0.840 872 G HN 0.389 nan 8.290 nan 0.000 0.505 873 M N 0.346 119.954 119.600 0.014 0.000 2.578 873 M HA 0.503 4.983 4.480 -0.001 0.000 0.321 873 M C -0.226 176.133 176.300 0.099 0.000 1.182 873 M CA -1.591 53.694 55.300 -0.025 0.000 0.965 873 M CB 1.541 34.080 32.600 -0.102 0.000 1.694 873 M HN 0.139 nan 8.290 nan 0.000 0.461 874 D N 1.863 122.321 120.400 0.096 0.000 2.317 874 D HA 0.321 4.961 4.640 -0.001 0.000 0.252 874 D C 0.482 176.906 176.300 0.206 0.000 1.174 874 D CA 0.143 54.267 54.000 0.207 0.000 0.866 874 D CB 1.511 42.430 40.800 0.198 0.000 1.127 874 D HN 0.738 nan 8.370 nan 0.000 0.467 875 A N 3.972 126.905 122.820 0.188 0.000 1.978 875 A HA -0.124 4.196 4.320 -0.001 0.000 0.220 875 A C 1.936 179.610 177.584 0.150 0.000 1.170 875 A CA 1.809 53.932 52.037 0.143 0.000 0.636 875 A CB -0.370 18.704 19.000 0.122 0.000 0.810 875 A HN 0.648 nan 8.150 nan 0.000 0.448 876 A N -1.848 121.049 122.820 0.128 0.000 2.239 876 A HA 0.002 4.322 4.320 -0.001 0.000 0.209 876 A C 1.347 178.828 177.584 -0.171 0.000 1.171 876 A CA 0.696 52.732 52.037 -0.001 0.000 0.768 876 A CB -0.605 18.347 19.000 -0.079 0.000 0.790 876 A HN 0.686 nan 8.150 nan 0.000 0.478 877 H N -1.406 117.689 119.070 0.042 0.000 2.592 877 H HA 0.361 4.916 4.556 -0.001 0.000 0.279 877 H C -0.583 174.760 175.328 0.025 0.000 1.089 877 H CA -0.182 55.868 56.048 0.005 0.000 1.150 877 H CB 0.436 30.175 29.762 -0.038 0.000 1.575 877 H HN 0.340 nan 8.280 nan 0.000 0.547 878 I N 2.325 122.986 120.570 0.151 0.000 2.354 878 I HA 0.134 4.304 4.170 -0.001 0.000 0.292 878 I C -0.244 175.986 176.117 0.189 0.000 0.989 878 I CA -0.242 61.152 61.300 0.157 0.000 1.188 878 I CB 1.556 39.648 38.000 0.153 0.000 1.342 878 I HN 0.051 nan 8.210 nan 0.000 0.457 879 E N 5.580 125.888 120.200 0.180 0.000 2.266 879 E HA 0.289 4.639 4.350 -0.001 0.000 0.268 879 E C -1.045 175.636 176.600 0.134 0.000 0.879 879 E CA -1.168 55.345 56.400 0.188 0.000 0.762 879 E CB 2.475 32.287 29.700 0.186 0.000 1.199 879 E HN 0.337 nan 8.360 nan 0.000 0.422 880 K N 2.700 123.148 120.400 0.081 0.000 2.402 880 K HA 0.007 4.326 4.320 -0.001 0.000 0.285 880 K C -0.682 175.935 176.600 0.028 0.000 1.054 880 K CA 0.595 56.891 56.287 0.014 0.000 1.001 880 K CB 0.374 32.826 32.500 -0.080 0.000 0.946 880 K HN 0.415 nan 8.250 nan 0.000 0.473 881 Q N 2.109 121.934 119.800 0.043 0.000 2.394 881 Q HA 0.206 4.546 4.340 -0.001 0.000 0.273 881 Q C -1.022 174.989 176.000 0.020 0.000 1.089 881 Q CA -0.993 54.836 55.803 0.043 0.000 0.812 881 Q CB 2.187 30.969 28.738 0.072 0.000 1.353 881 Q HN 0.750 nan 8.270 nan 0.000 0.438 882 S N 1.925 117.632 115.700 0.011 0.000 2.513 882 S HA 0.408 4.878 4.470 -0.001 0.000 0.276 882 S C -0.267 174.348 174.600 0.025 0.000 1.254 882 S CA -0.669 57.532 58.200 0.001 0.000 1.053 882 S CB 0.254 63.453 63.200 -0.002 0.000 0.958 882 S HN 0.549 nan 8.310 nan 0.000 0.491 883 L N 4.358 125.593 121.223 0.020 0.000 2.358 883 L HA 0.260 4.600 4.340 -0.001 0.000 0.274 883 L C 0.774 177.680 176.870 0.059 0.000 1.136 883 L CA -0.536 54.322 54.840 0.032 0.000 0.970 883 L CB 0.058 42.119 42.059 0.003 0.000 1.314 883 L HN 0.749 nan 8.230 nan 0.000 0.427 884 D N 0.603 121.061 120.400 0.097 0.000 2.116 884 D HA -0.205 4.435 4.640 -0.001 0.000 0.193 884 D C 1.975 178.395 176.300 0.200 0.000 0.998 884 D CA 2.080 56.170 54.000 0.151 0.000 0.836 884 D CB -0.133 40.788 40.800 0.201 0.000 0.951 884 D HN 0.585 nan 8.370 nan 0.000 0.449 885 T N 1.030 115.695 114.554 0.185 0.000 2.718 885 T HA -0.265 4.085 4.350 -0.001 0.000 0.266 885 T C 2.190 176.995 174.700 0.176 0.000 1.033 885 T CA 1.180 63.407 62.100 0.212 0.000 1.151 885 T CB -0.644 68.275 68.868 0.086 0.000 0.853 885 T HN 0.235 nan 8.240 nan 0.000 0.466 886 I N 1.493 122.135 120.570 0.120 0.000 2.252 886 I HA 0.118 4.288 4.170 -0.001 0.000 0.245 886 I C 1.538 177.767 176.117 0.186 0.000 1.102 886 I CA 1.011 62.381 61.300 0.117 0.000 1.385 886 I CB -0.563 37.496 38.000 0.098 0.000 1.064 886 I HN 0.393 nan 8.210 nan 0.000 0.414 887 G N -0.379 108.526 108.800 0.176 0.000 2.522 887 G HA2 0.503 4.463 3.960 -0.001 0.000 0.304 887 G HA3 0.503 4.463 3.960 -0.001 0.000 0.304 887 G C -0.262 174.759 174.900 0.200 0.000 1.210 887 G CA 0.139 45.367 45.100 0.212 0.000 0.960 887 G HN 0.744 nan 8.290 nan 0.000 0.497 888 G N -1.172 107.739 108.800 0.186 0.000 2.707 888 G HA2 0.308 4.267 3.960 -0.001 0.000 0.686 888 G HA3 0.308 4.267 3.960 -0.001 0.000 0.686 888 G C 0.212 175.179 174.900 0.113 0.000 1.315 888 G CA 0.249 45.436 45.100 0.144 0.000 0.832 888 G HN 1.998 nan 8.290 nan 0.000 0.573 889 S N -0.403 115.353 115.700 0.093 0.000 2.614 889 S HA 0.480 4.949 4.470 -0.001 0.000 0.265 889 S C 0.973 175.634 174.600 0.101 0.000 1.303 889 S CA 0.576 58.814 58.200 0.063 0.000 1.000 889 S CB 1.468 64.699 63.200 0.052 0.000 0.935 889 S HN 0.591 nan 8.310 nan 0.000 0.551 890 D N 1.204 121.644 120.400 0.067 0.000 2.178 890 D HA -0.022 4.618 4.640 -0.001 0.000 0.202 890 D C 2.179 178.592 176.300 0.187 0.000 0.974 890 D CA 1.558 55.625 54.000 0.112 0.000 0.841 890 D CB -0.775 40.053 40.800 0.046 0.000 0.953 890 D HN 0.689 nan 8.370 nan 0.000 0.478 891 A N 1.369 124.260 122.820 0.118 0.000 1.877 891 A HA -0.070 4.249 4.320 -0.001 0.000 0.216 891 A C 2.367 180.021 177.584 0.117 0.000 1.186 891 A CA 2.218 54.315 52.037 0.099 0.000 0.620 891 A CB -0.743 18.292 19.000 0.057 0.000 0.822 891 A HN 0.235 nan 8.150 nan 0.000 0.443 892 A N -1.355 121.538 122.820 0.121 0.000 1.933 892 A HA -0.066 4.254 4.320 -0.001 0.000 0.218 892 A C 2.051 179.739 177.584 0.174 0.000 1.175 892 A CA 1.634 53.738 52.037 0.111 0.000 0.628 892 A CB -0.713 18.349 19.000 0.104 0.000 0.814 892 A HN 0.699 nan 8.150 nan 0.000 0.444 893 F N 0.603 120.622 119.950 0.116 0.000 2.102 893 F HA -0.142 4.385 4.527 -0.001 0.000 0.298 893 F C 2.204 178.170 175.800 0.277 0.000 1.105 893 F CA 2.178 60.303 58.000 0.208 0.000 1.239 893 F CB -0.174 38.909 39.000 0.139 0.000 0.991 893 F HN 0.410 nan 8.300 nan 0.000 0.474 894 E N 0.173 120.562 120.200 0.314 0.000 2.107 894 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 894 E C 2.055 178.665 176.600 0.018 0.000 0.982 894 E CA 0.940 57.470 56.400 0.216 0.000 0.809 894 E CB -0.076 29.749 29.700 0.208 0.000 0.756 894 E HN 0.403 nan 8.360 nan 0.000 0.459 895 K N 0.095 120.495 120.400 0.000 0.000 2.280 895 K HA -0.135 4.185 4.320 -0.001 0.000 0.202 895 K C 2.233 178.762 176.600 -0.118 0.000 1.047 895 K CA 0.799 57.054 56.287 -0.053 0.000 0.942 895 K CB 0.002 32.486 32.500 -0.026 0.000 0.739 895 K HN 0.040 nan 8.250 nan 0.000 0.457 896 R N -0.543 119.847 120.500 -0.182 0.000 2.146 896 R HA 0.002 4.341 4.340 -0.001 0.000 0.206 896 R C 1.166 177.110 176.300 -0.594 0.000 1.049 896 R CA 0.703 56.558 56.100 -0.409 0.000 1.029 896 R CB 0.274 30.254 30.300 -0.534 0.000 0.949 896 R HN 0.150 nan 8.270 nan 0.000 0.471 897 Y N -0.332 119.832 120.300 -0.227 0.000 2.558 897 Y HA 0.255 4.804 4.550 -0.001 0.000 0.273 897 Y C 0.600 176.494 175.900 -0.011 0.000 1.100 897 Y CA -0.414 57.589 58.100 -0.161 0.000 1.276 897 Y CB 0.196 38.438 38.460 -0.363 0.000 1.196 897 Y HN -0.150 nan 8.280 nan 0.000 0.527 898 R N 1.598 122.145 120.500 0.078 0.000 2.522 898 R HA 0.257 4.597 4.340 -0.001 0.000 0.284 898 R C -1.454 174.748 176.300 -0.164 0.000 1.032 898 R CA 0.183 56.135 56.100 -0.247 0.000 1.049 898 R CB 0.047 30.050 30.300 -0.495 0.000 0.956 898 R HN -0.073 nan 8.270 nan 0.000 0.422 899 V N 4.940 124.765 119.914 -0.149 0.000 2.482 899 V HA 0.242 4.362 4.120 -0.001 0.000 0.295 899 V C -1.015 175.032 176.094 -0.079 0.000 1.026 899 V CA -0.752 61.502 62.300 -0.077 0.000 0.856 899 V CB 1.683 33.483 31.823 -0.038 0.000 1.001 899 V HN 0.757 nan 8.190 nan 0.000 0.424 900 D N 3.956 124.333 120.400 -0.039 0.000 2.446 900 D HA 0.406 5.046 4.640 -0.001 0.000 0.251 900 D C 0.983 177.280 176.300 -0.004 0.000 1.137 900 D CA -0.361 53.624 54.000 -0.024 0.000 0.890 900 D CB 1.301 42.100 40.800 -0.002 0.000 1.071 900 D HN 0.381 nan 8.370 nan 0.000 0.528 901 L N 2.409 123.623 121.223 -0.016 0.000 2.261 901 L HA -0.081 4.259 4.340 -0.001 0.000 0.216 901 L C 1.587 178.448 176.870 -0.014 0.000 1.114 901 L CA 0.777 55.607 54.840 -0.016 0.000 0.777 901 L CB -0.232 41.816 42.059 -0.018 0.000 0.910 901 L HN 0.460 nan 8.230 nan 0.000 0.440 902 L N -0.259 120.958 121.223 -0.010 0.000 2.715 902 L HA 0.108 4.447 4.340 -0.001 0.000 0.238 902 L C 0.198 177.064 176.870 -0.006 0.000 1.212 902 L CA 0.167 55.002 54.840 -0.009 0.000 1.017 902 L CB -0.777 41.278 42.059 -0.007 0.000 1.269 902 L HN 0.286 nan 8.230 nan 0.000 0.452 903 N N -0.873 117.821 118.700 -0.010 0.000 2.519 903 N HA 0.046 4.786 4.740 -0.001 0.000 0.291 903 N C 1.099 176.564 175.510 -0.075 0.000 1.107 903 N CA -0.010 53.025 53.050 -0.025 0.000 0.904 903 N CB 1.311 39.821 38.487 0.039 0.000 1.500 903 N HN 0.048 nan 8.380 nan 0.000 0.510 904 T N -0.318 114.181 114.554 -0.091 0.000 2.946 904 T HA -0.129 4.221 4.350 -0.001 0.000 0.271 904 T C 0.481 175.086 174.700 -0.159 0.000 1.104 904 T CA 1.175 63.215 62.100 -0.101 0.000 1.114 904 T CB -0.060 68.759 68.868 -0.083 0.000 0.867 904 T HN 0.490 nan 8.240 nan 0.000 0.513 905 D N 0.294 120.518 120.400 -0.293 0.000 2.369 905 D HA 0.054 4.693 4.640 -0.001 0.000 0.211 905 D C 0.611 176.569 176.300 -0.570 0.000 1.077 905 D CA 0.266 53.993 54.000 -0.455 0.000 0.842 905 D CB 0.145 40.586 40.800 -0.598 0.000 0.947 905 D HN 0.566 nan 8.370 nan 0.000 0.509 906 H N -0.205 118.836 119.070 -0.049 0.000 2.750 906 H HA 0.253 4.808 4.556 -0.001 0.000 0.252 906 H C 0.304 175.593 175.328 -0.066 0.000 1.176 906 H CA -0.093 55.917 56.048 -0.062 0.000 0.987 906 H CB 0.420 30.138 29.762 -0.073 0.000 1.810 906 H HN -0.123 nan 8.280 nan 0.000 0.630 907 T N 0.859 115.418 114.554 0.008 0.000 2.884 907 T HA 0.414 4.763 4.350 -0.001 0.000 0.277 907 T C 0.759 175.446 174.700 -0.021 0.000 0.976 907 T CA -0.694 61.399 62.100 -0.010 0.000 0.956 907 T CB 1.427 70.279 68.868 -0.026 0.000 1.113 907 T HN 0.039 nan 8.240 nan 0.000 0.554 908 L N 2.270 123.476 121.223 -0.029 0.000 2.315 908 L HA 0.232 4.571 4.340 -0.001 0.000 0.283 908 L C 0.902 177.752 176.870 -0.034 0.000 1.089 908 L CA -0.495 54.323 54.840 -0.036 0.000 0.833 908 L CB 0.242 42.276 42.059 -0.041 0.000 1.170 908 L HN 0.628 nan 8.230 nan 0.000 0.442 909 D N 6.585 126.965 120.400 -0.034 0.000 2.525 909 D HA -0.040 4.600 4.640 -0.001 0.000 0.235 909 D C -1.366 174.917 176.300 -0.028 0.000 1.137 909 D CA -0.952 53.029 54.000 -0.031 0.000 0.868 909 D CB 1.439 42.222 40.800 -0.029 0.000 1.180 909 D HN 0.347 nan 8.370 nan 0.000 0.465 910 P HA -0.158 nan 4.420 nan 0.000 0.224 910 P C 0.998 178.286 177.300 -0.020 0.000 1.142 910 P CA 0.857 63.942 63.100 -0.024 0.000 0.778 910 P CB 0.076 31.763 31.700 -0.022 0.000 0.764 911 S N -1.266 114.423 115.700 -0.018 0.000 2.501 911 S HA 0.068 4.538 4.470 -0.001 0.000 0.220 911 S C 1.882 176.475 174.600 -0.012 0.000 0.997 911 S CA 0.059 58.252 58.200 -0.012 0.000 0.919 911 S CB -1.099 62.096 63.200 -0.008 0.000 0.778 911 S HN 0.124 nan 8.310 nan 0.000 0.523 912 L N 0.122 121.333 121.223 -0.019 0.000 2.446 912 L HA 0.430 4.770 4.340 -0.001 0.000 0.219 912 L C 0.146 176.997 176.870 -0.030 0.000 1.116 912 L CA 0.138 54.964 54.840 -0.023 0.000 0.844 912 L CB 0.126 42.165 42.059 -0.033 0.000 0.970 912 L HN 0.333 nan 8.230 nan 0.000 0.457 913 L N -2.037 119.167 121.223 -0.031 0.000 2.505 913 L HA 0.241 4.581 4.340 -0.001 0.000 0.259 913 L C 0.624 177.476 176.870 -0.030 0.000 0.952 913 L CA -0.331 54.486 54.840 -0.037 0.000 0.840 913 L CB 1.653 43.683 42.059 -0.048 0.000 1.358 913 L HN -0.038 nan 8.230 nan 0.000 0.409 914 E N 0.944 121.127 120.200 -0.029 0.000 2.023 914 E HA -0.176 4.174 4.350 -0.001 0.000 0.196 914 E C 1.102 177.688 176.600 -0.024 0.000 1.003 914 E CA 1.809 58.195 56.400 -0.023 0.000 0.809 914 E CB -0.126 29.561 29.700 -0.022 0.000 0.755 914 E HN 0.792 nan 8.360 nan 0.000 0.449 915 S N 0.733 116.417 115.700 -0.028 0.000 2.894 915 S HA 0.031 4.500 4.470 -0.001 0.000 0.231 915 S C 1.623 176.207 174.600 -0.027 0.000 0.971 915 S CA 0.236 58.420 58.200 -0.026 0.000 1.005 915 S CB -0.339 62.843 63.200 -0.029 0.000 0.799 915 S HN 0.354 nan 8.310 nan 0.000 0.527 916 G N 2.953 111.736 108.800 -0.027 0.000 2.480 916 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.216 916 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.216 916 G C 1.723 176.608 174.900 -0.025 0.000 1.200 916 G CA 1.161 46.244 45.100 -0.027 0.000 0.782 916 G HN 0.820 nan 8.290 nan 0.000 0.554 917 S N 1.220 116.907 115.700 -0.022 0.000 2.423 917 S HA -0.080 4.389 4.470 -0.001 0.000 0.231 917 S C 1.932 176.520 174.600 -0.020 0.000 1.014 917 S CA 1.617 59.804 58.200 -0.021 0.000 0.965 917 S CB -0.288 62.901 63.200 -0.018 0.000 0.785 917 S HN 0.765 nan 8.310 nan 0.000 0.495 918 E N -0.052 120.137 120.200 -0.019 0.000 2.479 918 E HA 0.220 4.569 4.350 -0.001 0.000 0.193 918 E C 1.415 178.004 176.600 -0.019 0.000 1.049 918 E CA -0.126 56.263 56.400 -0.018 0.000 0.870 918 E CB -0.237 29.454 29.700 -0.016 0.000 0.944 918 E HN 0.488 nan 8.360 nan 0.000 0.492 919 I N 1.200 121.757 120.570 -0.021 0.000 2.716 919 I HA 0.019 4.189 4.170 -0.001 0.000 0.259 919 I C 0.986 177.091 176.117 -0.021 0.000 1.172 919 I CA 0.143 61.429 61.300 -0.022 0.000 1.478 919 I CB 0.262 38.246 38.000 -0.026 0.000 1.104 919 I HN 0.225 nan 8.210 nan 0.000 0.439 920 L N 1.413 122.624 121.223 -0.021 0.000 2.615 920 L HA -0.020 4.319 4.340 -0.001 0.000 0.284 920 L C 1.197 178.056 176.870 -0.018 0.000 1.237 920 L CA 0.882 55.709 54.840 -0.021 0.000 0.905 920 L CB -0.236 41.809 42.059 -0.023 0.000 1.149 920 L HN 0.589 nan 8.230 nan 0.000 0.499 921 G N 2.852 111.641 108.800 -0.017 0.000 2.283 921 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.280 921 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.280 921 G C 0.212 175.105 174.900 -0.013 0.000 1.029 921 G CA 0.457 45.548 45.100 -0.014 0.000 0.840 921 G HN 0.826 nan 8.290 nan 0.000 0.505 922 D N 0.207 120.600 120.400 -0.013 0.000 2.453 922 D HA 0.332 4.972 4.640 -0.001 0.000 0.223 922 D C 1.986 178.281 176.300 -0.009 0.000 1.183 922 D CA -0.485 53.508 54.000 -0.012 0.000 0.933 922 D CB 0.055 40.847 40.800 -0.013 0.000 1.038 922 D HN 0.253 nan 8.370 nan 0.000 0.513 923 L N 3.209 124.427 121.223 -0.008 0.000 1.997 923 L HA -0.281 4.059 4.340 -0.001 0.000 0.216 923 L C 2.474 179.342 176.870 -0.004 0.000 1.074 923 L CA 1.510 56.346 54.840 -0.006 0.000 0.763 923 L CB -0.321 41.735 42.059 -0.005 0.000 0.890 923 L HN 0.308 nan 8.230 nan 0.000 0.434 924 K N -0.136 120.262 120.400 -0.004 0.000 2.063 924 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 924 K C 2.102 178.700 176.600 -0.003 0.000 1.048 924 K CA 1.255 57.540 56.287 -0.003 0.000 0.928 924 K CB -0.269 32.229 32.500 -0.004 0.000 0.713 924 K HN 0.267 nan 8.250 nan 0.000 0.442 925 L N 0.795 122.014 121.223 -0.006 0.000 2.027 925 L HA -0.180 4.160 4.340 -0.001 0.000 0.206 925 L C 2.665 179.532 176.870 -0.004 0.000 1.074 925 L CA 0.911 55.747 54.840 -0.007 0.000 0.745 925 L CB -0.506 41.546 42.059 -0.012 0.000 0.898 925 L HN 0.218 nan 8.230 nan 0.000 0.433 926 Q N 0.088 119.884 119.800 -0.006 0.000 2.173 926 Q HA -0.198 4.141 4.340 -0.001 0.000 0.208 926 Q C 2.314 178.315 176.000 0.003 0.000 0.989 926 Q CA 1.494 57.294 55.803 -0.005 0.000 0.872 926 Q CB -0.573 28.160 28.738 -0.008 0.000 0.909 926 Q HN 0.369 nan 8.270 nan 0.000 0.420 927 V N 0.589 120.506 119.914 0.004 0.000 2.407 927 V HA -0.241 3.878 4.120 -0.001 0.000 0.248 927 V C 2.404 178.508 176.094 0.016 0.000 1.055 927 V CA 1.281 63.587 62.300 0.010 0.000 1.049 927 V CB -0.470 31.357 31.823 0.007 0.000 0.662 927 V HN 0.298 nan 8.190 nan 0.000 0.455 928 L N -1.009 120.222 121.223 0.012 0.000 2.056 928 L HA -0.127 4.213 4.340 -0.001 0.000 0.207 928 L C 2.273 179.160 176.870 0.027 0.000 1.078 928 L CA 1.420 56.270 54.840 0.017 0.000 0.749 928 L CB -0.225 41.839 42.059 0.010 0.000 0.901 928 L HN 0.303 nan 8.230 nan 0.000 0.433 929 L N -0.728 120.509 121.223 0.023 0.000 2.291 929 L HA -0.181 4.158 4.340 -0.001 0.000 0.214 929 L C 1.771 178.679 176.870 0.063 0.000 1.120 929 L CA 0.625 55.486 54.840 0.034 0.000 0.799 929 L CB -0.354 41.711 42.059 0.010 0.000 0.925 929 L HN 0.241 nan 8.230 nan 0.000 0.446 930 D N -0.486 119.947 120.400 0.054 0.000 2.249 930 D HA -0.132 4.508 4.640 -0.001 0.000 0.205 930 D C 2.013 178.379 176.300 0.109 0.000 0.962 930 D CA 0.641 54.692 54.000 0.085 0.000 0.860 930 D CB 0.202 41.034 40.800 0.053 0.000 0.955 930 D HN 0.299 nan 8.370 nan 0.000 0.505 931 E N 0.643 120.885 120.200 0.071 0.000 2.072 931 E HA -0.173 4.177 4.350 -0.001 0.000 0.191 931 E C 1.876 178.515 176.600 0.064 0.000 0.985 931 E CA 0.680 57.113 56.400 0.055 0.000 0.801 931 E CB 0.155 29.875 29.700 0.034 0.000 0.750 931 E HN 0.312 nan 8.360 nan 0.000 0.452 932 E N -0.280 119.967 120.200 0.078 0.000 2.077 932 E HA -0.230 4.120 4.350 -0.001 0.000 0.193 932 E C 1.950 178.616 176.600 0.109 0.000 0.989 932 E CA 0.917 57.365 56.400 0.080 0.000 0.800 932 E CB -0.175 29.576 29.700 0.086 0.000 0.746 932 E HN 0.269 nan 8.360 nan 0.000 0.452 933 Y N 1.597 121.913 120.300 0.026 0.000 2.114 933 Y HA -0.152 4.398 4.550 -0.001 0.000 0.284 933 Y C 2.119 178.056 175.900 0.061 0.000 1.143 933 Y CA 1.974 60.101 58.100 0.044 0.000 1.135 933 Y CB -0.036 38.451 38.460 0.045 0.000 0.980 933 Y HN -0.082 nan 8.280 nan 0.000 0.499 934 K N -0.482 119.989 120.400 0.119 0.000 2.113 934 K HA -0.301 4.018 4.320 -0.001 0.000 0.208 934 K C 2.104 178.678 176.600 -0.044 0.000 1.047 934 K CA 1.749 58.052 56.287 0.026 0.000 0.928 934 K CB -0.226 32.308 32.500 0.056 0.000 0.716 934 K HN 0.298 nan 8.250 nan 0.000 0.446 935 Q N 1.297 121.079 119.800 -0.031 0.000 2.079 935 Q HA -0.060 4.280 4.340 -0.001 0.000 0.200 935 Q C 1.851 177.805 176.000 -0.076 0.000 0.974 935 Q CA 1.320 57.094 55.803 -0.049 0.000 0.840 935 Q CB -0.118 28.601 28.738 -0.030 0.000 0.898 935 Q HN 0.293 nan 8.270 nan 0.000 0.430 936 L N -0.900 120.261 121.223 -0.102 0.000 2.027 936 L HA -0.132 4.208 4.340 -0.001 0.000 0.206 936 L C 2.268 179.102 176.870 -0.060 0.000 1.074 936 L CA 0.940 55.714 54.840 -0.111 0.000 0.745 936 L CB -0.596 41.325 42.059 -0.230 0.000 0.898 936 L HN 0.084 nan 8.230 nan 0.000 0.433 937 V N -0.027 119.792 119.914 -0.158 0.000 2.469 937 V HA -0.294 3.825 4.120 -0.001 0.000 0.251 937 V C 2.483 178.470 176.094 -0.178 0.000 1.064 937 V CA 1.686 63.838 62.300 -0.246 0.000 1.066 937 V CB -0.594 31.075 31.823 -0.256 0.000 0.667 937 V HN 0.409 nan 8.190 nan 0.000 0.461 938 K N -0.262 120.072 120.400 -0.110 0.000 2.025 938 K HA -0.171 4.148 4.320 -0.001 0.000 0.207 938 K C 1.957 178.542 176.600 -0.026 0.000 1.049 938 K CA 1.687 57.933 56.287 -0.068 0.000 0.933 938 K CB -0.283 32.177 32.500 -0.066 0.000 0.714 938 K HN 0.429 nan 8.250 nan 0.000 0.438 939 D N 0.297 120.681 120.400 -0.027 0.000 2.104 939 D HA -0.184 4.456 4.640 -0.001 0.000 0.194 939 D C 1.834 178.165 176.300 0.052 0.000 0.994 939 D CA 1.060 55.092 54.000 0.054 0.000 0.830 939 D CB -0.164 40.648 40.800 0.019 0.000 0.959 939 D HN 0.137 nan 8.370 nan 0.000 0.452 940 R N 0.861 121.310 120.500 -0.085 0.000 2.103 940 R HA -0.170 4.170 4.340 -0.001 0.000 0.242 940 R C 1.929 178.175 176.300 -0.090 0.000 1.142 940 R CA 1.369 57.373 56.100 -0.161 0.000 0.960 940 R CB 0.148 30.151 30.300 -0.495 0.000 0.858 940 R HN 0.069 nan 8.270 nan 0.000 0.439 941 K N 0.008 120.361 120.400 -0.078 0.000 1.985 941 K HA -0.194 4.125 4.320 -0.001 0.000 0.210 941 K C 1.998 178.607 176.600 0.015 0.000 1.047 941 K CA 1.539 57.801 56.287 -0.041 0.000 0.932 941 K CB -0.774 31.708 32.500 -0.029 0.000 0.716 941 K HN 0.173 nan 8.250 nan 0.000 0.439 942 F N 2.477 122.377 119.950 -0.083 0.000 2.087 942 F HA -0.244 4.283 4.527 -0.001 0.000 0.299 942 F C 2.122 177.881 175.800 -0.068 0.000 1.100 942 F CA 1.469 59.421 58.000 -0.080 0.000 1.226 942 F CB -0.485 38.471 39.000 -0.074 0.000 0.983 942 F HN -0.072 nan 8.300 nan 0.000 0.479 943 L N -0.105 121.076 121.223 -0.070 0.000 2.046 943 L HA -0.198 4.141 4.340 -0.001 0.000 0.208 943 L C 2.499 179.341 176.870 -0.047 0.000 1.077 943 L CA 1.420 56.218 54.840 -0.070 0.000 0.747 943 L CB -0.620 41.519 42.059 0.134 0.000 0.896 943 L HN 0.050 nan 8.230 nan 0.000 0.432 944 R N -0.135 120.357 120.500 -0.012 0.000 2.328 944 R HA -0.122 4.218 4.340 -0.001 0.000 0.207 944 R C 1.670 177.930 176.300 -0.066 0.000 1.056 944 R CA 0.673 56.799 56.100 0.043 0.000 1.016 944 R CB -0.076 30.256 30.300 0.055 0.000 0.872 944 R HN 0.524 nan 8.270 nan 0.000 0.471 945 E N -0.411 119.661 120.200 -0.213 0.000 2.201 945 E HA -0.022 4.327 4.350 -0.001 0.000 0.193 945 E C 1.790 178.149 176.600 -0.401 0.000 0.957 945 E CA 0.315 56.561 56.400 -0.257 0.000 0.858 945 E CB 0.413 29.962 29.700 -0.251 0.000 0.816 945 E HN 0.019 nan 8.360 nan 0.000 0.475 946 V N 0.611 120.129 119.914 -0.659 0.000 2.379 946 V HA -0.123 3.997 4.120 -0.001 0.000 0.245 946 V C 0.560 176.012 176.094 -1.069 0.000 1.044 946 V CA 1.297 63.001 62.300 -0.994 0.000 1.036 946 V CB -0.179 30.782 31.823 -1.437 0.000 0.664 946 V HN 0.139 nan 8.190 nan 0.000 0.453 947 F N -0.851 118.906 119.950 -0.322 0.000 2.371 947 F HA 0.413 4.940 4.527 -0.001 0.000 0.343 947 F C 1.025 176.758 175.800 -0.112 0.000 1.150 947 F CA -0.377 57.490 58.000 -0.222 0.000 1.220 947 F CB 0.439 39.322 39.000 -0.195 0.000 1.475 947 F HN -0.235 nan 8.300 nan 0.000 0.521 948 V N 0.292 120.197 119.914 -0.016 0.000 2.546 948 V HA -0.311 3.808 4.120 -0.001 0.000 0.254 948 V C 2.264 178.413 176.094 0.092 0.000 1.076 948 V CA 2.191 64.509 62.300 0.030 0.000 1.087 948 V CB -0.262 31.542 31.823 -0.031 0.000 0.674 948 V HN 0.709 nan 8.190 nan 0.000 0.470 949 D N 0.190 120.622 120.400 0.054 0.000 2.178 949 D HA -0.075 4.564 4.640 -0.001 0.000 0.202 949 D C 1.828 177.984 176.300 -0.239 0.000 0.974 949 D CA 1.428 55.428 54.000 -0.001 0.000 0.841 949 D CB 0.199 41.029 40.800 0.050 0.000 0.953 949 D HN 0.563 nan 8.370 nan 0.000 0.478 950 G N 1.071 109.673 108.800 -0.330 0.000 2.176 950 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.232 950 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.232 950 G C 0.179 174.797 174.900 -0.471 0.000 0.986 950 G CA 0.434 44.932 45.100 -1.003 0.000 0.643 950 G HN 0.468 nan 8.290 nan 0.000 0.522 951 E N 0.793 120.907 120.200 -0.144 0.000 2.465 951 E HA 0.589 4.938 4.350 -0.001 0.000 0.260 951 E C 1.209 177.789 176.600 -0.034 0.000 0.980 951 E CA 1.000 57.370 56.400 -0.050 0.000 0.927 951 E CB 0.769 30.538 29.700 0.114 0.000 0.934 951 E HN 0.771 nan 8.360 nan 0.000 0.459 952 A N 5.126 127.877 122.820 -0.115 0.000 2.167 952 A HA 0.108 4.428 4.320 -0.001 0.000 0.208 952 A C 0.128 177.662 177.584 -0.084 0.000 1.198 952 A CA -0.185 51.801 52.037 -0.086 0.000 0.863 952 A CB 0.070 19.036 19.000 -0.057 0.000 0.904 952 A HN 0.608 nan 8.150 nan 0.000 0.484 953 N N 0.104 118.653 118.700 -0.251 0.000 2.420 953 N HA 0.357 5.097 4.740 -0.001 0.000 0.249 953 N C -1.748 173.378 175.510 -0.639 0.000 1.033 953 N CA 0.271 53.137 53.050 -0.306 0.000 0.944 953 N CB 0.579 38.893 38.487 -0.289 0.000 1.113 953 N HN 0.432 nan 8.380 nan 0.000 0.502 954 W N 2.072 123.266 121.300 -0.177 0.000 3.138 954 W HA 0.333 4.992 4.660 -0.001 0.000 0.331 954 W C -2.177 174.320 176.519 -0.037 0.000 1.166 954 W CA -1.647 55.619 57.345 -0.133 0.000 1.212 954 W CB 1.459 30.791 29.460 -0.213 0.000 1.399 954 W HN 0.298 nan 8.180 nan 0.000 0.514 955 P HA 0.234 nan 4.420 nan 0.000 0.271 955 P C -0.828 176.602 177.300 0.216 0.000 1.226 955 P CA 0.593 63.802 63.100 0.181 0.000 0.765 955 P CB 1.104 32.925 31.700 0.202 0.000 0.835 956 L N 4.590 125.935 121.223 0.202 0.000 2.479 956 L HA 0.560 4.900 4.340 -0.001 0.000 0.255 956 L C -2.443 174.566 176.870 0.232 0.000 1.026 956 L CA -2.615 52.368 54.840 0.239 0.000 0.842 956 L CB 3.026 45.268 42.059 0.305 0.000 1.444 956 L HN 0.161 nan 8.230 nan 0.000 0.409 957 P HA 0.181 nan 4.420 nan 0.000 0.276 957 P C -0.677 176.796 177.300 0.288 0.000 1.261 957 P CA -0.142 63.024 63.100 0.111 0.000 0.800 957 P CB 1.038 32.635 31.700 -0.172 0.000 1.066 958 V N -0.772 119.252 119.914 0.184 0.000 5.384 958 V HA -0.221 3.899 4.120 -0.001 0.000 0.326 958 V C 0.812 177.078 176.094 0.287 0.000 0.689 958 V CA 0.293 62.747 62.300 0.257 0.000 1.241 958 V CB -2.159 29.871 31.823 0.345 0.000 1.471 958 V HN 0.839 nan 8.190 nan 0.000 0.451 959 N N 4.128 122.924 118.700 0.160 0.000 2.394 959 N HA 0.093 4.833 4.740 -0.001 0.000 0.288 959 N C 1.139 176.702 175.510 0.088 0.000 1.272 959 N CA 0.334 53.454 53.050 0.118 0.000 1.004 959 N CB 0.437 38.972 38.487 0.080 0.000 1.393 959 N HN 0.760 nan 8.380 nan 0.000 0.488 960 I N 2.611 123.227 120.570 0.077 0.000 2.226 960 I HA -0.284 3.886 4.170 -0.001 0.000 0.245 960 I C 2.535 178.643 176.117 -0.015 0.000 1.100 960 I CA 0.870 62.183 61.300 0.022 0.000 1.374 960 I CB -0.154 37.835 38.000 -0.018 0.000 1.057 960 I HN 0.535 nan 8.210 nan 0.000 0.413 961 R N 1.166 121.667 120.500 0.002 0.000 2.091 961 R HA -0.227 4.112 4.340 -0.001 0.000 0.238 961 R C 2.504 178.803 176.300 -0.001 0.000 1.136 961 R CA 1.690 57.783 56.100 -0.011 0.000 0.959 961 R CB -0.229 30.092 30.300 0.035 0.000 0.856 961 R HN 0.251 nan 8.270 nan 0.000 0.437 962 R N 0.489 121.010 120.500 0.034 0.000 2.062 962 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 962 R C 2.370 178.711 176.300 0.070 0.000 1.136 962 R CA 1.780 57.915 56.100 0.059 0.000 0.948 962 R CB -0.340 30.002 30.300 0.071 0.000 0.845 962 R HN 0.282 nan 8.270 nan 0.000 0.430 963 I N 0.890 121.491 120.570 0.053 0.000 2.236 963 I HA -0.359 3.811 4.170 -0.001 0.000 0.249 963 I C 2.281 178.484 176.117 0.142 0.000 1.102 963 I CA 1.454 62.794 61.300 0.067 0.000 1.365 963 I CB -0.255 37.717 38.000 -0.046 0.000 1.051 963 I HN 0.320 nan 8.210 nan 0.000 0.420 964 I N 0.197 120.773 120.570 0.011 0.000 2.133 964 I HA -0.306 3.864 4.170 -0.001 0.000 0.238 964 I C 2.634 178.747 176.117 -0.007 0.000 1.074 964 I CA 1.432 62.693 61.300 -0.067 0.000 1.342 964 I CB -0.433 37.342 38.000 -0.376 0.000 1.053 964 I HN 0.273 nan 8.210 nan 0.000 0.404 965 Q N 0.541 120.323 119.800 -0.030 0.000 2.152 965 Q HA -0.230 4.110 4.340 -0.001 0.000 0.206 965 Q C 2.015 177.940 176.000 -0.125 0.000 0.985 965 Q CA 1.499 57.262 55.803 -0.067 0.000 0.863 965 Q CB -0.307 28.393 28.738 -0.064 0.000 0.904 965 Q HN 0.503 nan 8.270 nan 0.000 0.422 966 N N 0.577 119.286 118.700 0.016 0.000 2.058 966 N HA -0.151 4.589 4.740 -0.001 0.000 0.191 966 N C 1.825 177.334 175.510 -0.001 0.000 1.037 966 N CA 1.388 54.478 53.050 0.065 0.000 0.848 966 N CB -0.414 38.269 38.487 0.326 0.000 1.021 966 N HN 0.256 nan 8.380 nan 0.000 0.422 967 A N 1.518 124.468 122.820 0.217 0.000 1.884 967 A HA -0.276 4.044 4.320 -0.001 0.000 0.219 967 A C 2.193 179.836 177.584 0.099 0.000 1.197 967 A CA 1.964 54.092 52.037 0.152 0.000 0.637 967 A CB -0.971 18.290 19.000 0.435 0.000 0.827 967 A HN 0.440 nan 8.150 nan 0.000 0.450 968 Q N -1.501 118.321 119.800 0.037 0.000 2.096 968 Q HA -0.281 4.058 4.340 -0.001 0.000 0.204 968 Q C 2.342 178.280 176.000 -0.103 0.000 0.982 968 Q CA 1.938 57.737 55.803 -0.007 0.000 0.850 968 Q CB -0.189 28.545 28.738 -0.007 0.000 0.901 968 Q HN 0.841 nan 8.270 nan 0.000 0.422 969 Q N 0.210 119.888 119.800 -0.203 0.000 2.046 969 Q HA -0.117 4.223 4.340 -0.001 0.000 0.200 969 Q C 1.838 177.565 176.000 -0.456 0.000 0.975 969 Q CA 2.223 57.856 55.803 -0.282 0.000 0.836 969 Q CB -0.472 28.110 28.738 -0.260 0.000 0.896 969 Q HN 0.225 nan 8.270 nan 0.000 0.428 970 T N -0.031 114.248 114.554 -0.458 0.000 2.833 970 T HA -0.085 4.265 4.350 -0.001 0.000 0.269 970 T C 0.454 174.612 174.700 -0.903 0.000 1.054 970 T CA 1.425 63.085 62.100 -0.734 0.000 1.135 970 T CB -0.241 68.000 68.868 -1.044 0.000 0.869 970 T HN 0.305 nan 8.240 nan 0.000 0.466 971 F N 0.064 119.794 119.950 -0.366 0.000 2.639 971 F HA 0.307 4.834 4.527 -0.001 0.000 0.302 971 F C 0.551 176.299 175.800 -0.088 0.000 1.097 971 F CA -0.733 57.143 58.000 -0.208 0.000 1.294 971 F CB -0.284 38.615 39.000 -0.167 0.000 1.027 971 F HN 0.140 nan 8.300 nan 0.000 0.550 972 H N 0.754 119.827 119.070 0.005 0.000 2.527 972 H HA -0.173 4.383 4.556 -0.001 0.000 0.321 972 H C 0.515 175.851 175.328 0.014 0.000 1.092 972 H CA 0.377 56.428 56.048 0.004 0.000 1.118 972 H CB -1.441 28.318 29.762 -0.006 0.000 1.536 972 H HN 0.299 nan 8.280 nan 0.000 0.407 973 I N 2.679 123.289 120.570 0.066 0.000 2.598 973 I HA -0.075 4.094 4.170 -0.001 0.000 0.284 973 I C 0.915 176.984 176.117 -0.080 0.000 1.140 973 I CA 0.405 61.695 61.300 -0.017 0.000 1.420 973 I CB 0.521 38.472 38.000 -0.081 0.000 1.387 973 I HN 0.222 nan 8.210 nan 0.000 0.553 974 D N 6.196 126.559 120.400 -0.062 0.000 2.349 974 D HA 0.099 4.738 4.640 -0.001 0.000 0.232 974 D C 0.613 176.873 176.300 -0.067 0.000 1.071 974 D CA -0.530 53.452 54.000 -0.030 0.000 0.832 974 D CB 0.837 41.653 40.800 0.026 0.000 1.086 974 D HN 0.493 nan 8.370 nan 0.000 0.504 975 H N 1.548 120.645 119.070 0.045 0.000 2.568 975 H HA -0.050 4.506 4.556 -0.001 0.000 0.281 975 H C 1.014 176.355 175.328 0.022 0.000 1.028 975 H CA 1.178 57.247 56.048 0.035 0.000 1.199 975 H CB -0.002 29.781 29.762 0.035 0.000 1.352 975 H HN 0.560 nan 8.280 nan 0.000 0.605 976 T N -2.267 112.348 114.554 0.101 0.000 3.163 976 T HA 0.234 4.583 4.350 -0.001 0.000 0.252 976 T C 0.589 175.310 174.700 0.035 0.000 1.056 976 T CA -0.297 61.841 62.100 0.064 0.000 0.947 976 T CB 0.604 69.504 68.868 0.053 0.000 1.016 976 T HN 0.067 nan 8.240 nan 0.000 0.554 977 K N 2.041 122.456 120.400 0.024 0.000 2.502 977 K HA 0.458 4.777 4.320 -0.001 0.000 0.257 977 K C -3.074 173.527 176.600 0.002 0.000 0.938 977 K CA -2.206 54.087 56.287 0.010 0.000 0.819 977 K CB 2.424 34.927 32.500 0.005 0.000 1.333 977 K HN -0.014 nan 8.250 nan 0.000 0.434 978 P HA 0.007 nan 4.420 nan 0.000 0.276 978 P C -0.209 177.080 177.300 -0.018 0.000 1.235 978 P CA -0.114 62.979 63.100 -0.011 0.000 0.772 978 P CB 1.306 32.999 31.700 -0.013 0.000 0.871 979 S N 1.763 117.447 115.700 -0.026 0.000 2.587 979 S HA 0.014 4.484 4.470 -0.001 0.000 0.260 979 S C 0.908 175.485 174.600 -0.039 0.000 1.353 979 S CA -0.107 58.072 58.200 -0.035 0.000 0.995 979 S CB -0.016 63.156 63.200 -0.047 0.000 0.912 979 S HN 0.612 nan 8.310 nan 0.000 0.568 980 D N 1.821 122.196 120.400 -0.043 0.000 2.501 980 D HA 0.136 4.776 4.640 -0.001 0.000 0.226 980 D C -0.047 176.219 176.300 -0.057 0.000 1.198 980 D CA -0.192 53.784 54.000 -0.040 0.000 0.830 980 D CB -0.384 40.401 40.800 -0.026 0.000 1.014 980 D HN 0.321 nan 8.370 nan 0.000 0.496 981 L N 1.152 122.323 121.223 -0.088 0.000 2.326 981 L HA 0.239 4.579 4.340 -0.001 0.000 0.278 981 L C 0.582 177.378 176.870 -0.122 0.000 1.092 981 L CA -0.043 54.715 54.840 -0.138 0.000 0.810 981 L CB 1.506 43.422 42.059 -0.239 0.000 1.153 981 L HN -0.153 nan 8.230 nan 0.000 0.439 982 T N 3.214 117.700 114.554 -0.113 0.000 2.899 982 T HA 0.275 4.624 4.350 -0.001 0.000 0.284 982 T C 1.596 176.229 174.700 -0.110 0.000 1.004 982 T CA -0.479 61.570 62.100 -0.085 0.000 1.043 982 T CB 1.353 70.187 68.868 -0.056 0.000 1.013 982 T HN 0.410 nan 8.240 nan 0.000 0.518 983 I N 0.867 121.389 120.570 -0.080 0.000 2.226 983 I HA -0.158 4.012 4.170 -0.001 0.000 0.245 983 I C 2.486 178.566 176.117 -0.062 0.000 1.100 983 I CA 1.337 62.592 61.300 -0.075 0.000 1.374 983 I CB -0.216 37.756 38.000 -0.047 0.000 1.057 983 I HN 0.658 nan 8.210 nan 0.000 0.413 984 K N 0.414 120.789 120.400 -0.042 0.000 2.209 984 K HA -0.190 4.130 4.320 -0.001 0.000 0.204 984 K C 1.564 178.152 176.600 -0.019 0.000 1.048 984 K CA 1.222 57.497 56.287 -0.020 0.000 0.940 984 K CB -0.186 32.308 32.500 -0.010 0.000 0.729 984 K HN 0.293 nan 8.250 nan 0.000 0.451 985 D N 1.191 121.556 120.400 -0.059 0.000 2.088 985 D HA -0.158 4.482 4.640 -0.001 0.000 0.191 985 D C 1.915 178.162 176.300 -0.087 0.000 0.992 985 D CA 1.187 55.144 54.000 -0.072 0.000 0.831 985 D CB -0.262 40.430 40.800 -0.179 0.000 0.973 985 D HN 0.120 nan 8.370 nan 0.000 0.447 986 I N 0.457 120.865 120.570 -0.270 0.000 2.058 986 I HA -0.259 3.910 4.170 -0.001 0.000 0.235 986 I C 2.550 178.711 176.117 0.075 0.000 1.053 986 I CA 0.799 61.970 61.300 -0.215 0.000 1.313 986 I CB -0.627 37.233 38.000 -0.232 0.000 1.039 986 I HN -0.098 nan 8.210 nan 0.000 0.396 987 V N 1.371 121.301 119.914 0.027 0.000 2.231 987 V HA -0.305 3.815 4.120 -0.001 0.000 0.248 987 V C 2.453 178.589 176.094 0.069 0.000 1.054 987 V CA 2.024 64.356 62.300 0.054 0.000 1.015 987 V CB -0.760 31.080 31.823 0.029 0.000 0.638 987 V HN 0.368 nan 8.190 nan 0.000 0.444 988 L N 0.353 121.609 121.223 0.056 0.000 2.046 988 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 988 L C 2.682 179.604 176.870 0.086 0.000 1.077 988 L CA 1.734 56.607 54.840 0.056 0.000 0.747 988 L CB -1.230 40.853 42.059 0.041 0.000 0.896 988 L HN 0.502 nan 8.230 nan 0.000 0.432 989 G N -0.317 108.573 108.800 0.150 0.000 2.421 989 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.216 989 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.216 989 G C 1.591 176.577 174.900 0.145 0.000 1.171 989 G CA 0.906 46.127 45.100 0.201 0.000 0.775 989 G HN 0.182 nan 8.290 nan 0.000 0.543 990 V N 0.570 120.602 119.914 0.196 0.000 2.407 990 V HA -0.152 3.968 4.120 -0.001 0.000 0.248 990 V C 2.713 178.840 176.094 0.055 0.000 1.055 990 V CA 2.185 64.557 62.300 0.120 0.000 1.049 990 V CB -0.364 31.551 31.823 0.153 0.000 0.662 990 V HN 0.347 nan 8.190 nan 0.000 0.455 991 K N -0.193 120.239 120.400 0.053 0.000 2.057 991 K HA -0.227 4.093 4.320 -0.001 0.000 0.206 991 K C 1.973 178.577 176.600 0.007 0.000 1.050 991 K CA 1.803 58.104 56.287 0.023 0.000 0.935 991 K CB -0.208 32.306 32.500 0.024 0.000 0.715 991 K HN 0.503 nan 8.250 nan 0.000 0.439 992 D N 0.508 120.917 120.400 0.014 0.000 2.144 992 D HA -0.171 4.468 4.640 -0.001 0.000 0.200 992 D C 1.827 178.113 176.300 -0.024 0.000 0.978 992 D CA 0.637 54.636 54.000 -0.002 0.000 0.833 992 D CB 0.047 40.853 40.800 0.010 0.000 0.961 992 D HN 0.098 nan 8.370 nan 0.000 0.470 993 L N 0.557 121.762 121.223 -0.029 0.000 2.083 993 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 993 L C 2.013 178.834 176.870 -0.082 0.000 1.083 993 L CA 1.728 56.532 54.840 -0.059 0.000 0.752 993 L CB -0.690 41.331 42.059 -0.062 0.000 0.899 993 L HN 0.069 nan 8.230 nan 0.000 0.433 994 Q N -0.603 119.161 119.800 -0.060 0.000 2.291 994 Q HA -0.155 4.185 4.340 -0.001 0.000 0.206 994 Q C 1.575 177.517 176.000 -0.097 0.000 0.976 994 Q CA 1.272 57.028 55.803 -0.079 0.000 0.875 994 Q CB -0.033 28.679 28.738 -0.044 0.000 0.927 994 Q HN 0.544 nan 8.270 nan 0.000 0.450 995 E N -0.134 120.023 120.200 -0.073 0.000 2.481 995 E HA -0.005 4.345 4.350 -0.001 0.000 0.195 995 E C 0.720 177.276 176.600 -0.074 0.000 1.047 995 E CA 0.317 56.679 56.400 -0.063 0.000 0.867 995 E CB 0.226 29.901 29.700 -0.040 0.000 0.858 995 E HN 0.359 nan 8.360 nan 0.000 0.513 996 N N 0.021 118.660 118.700 -0.101 0.000 2.227 996 N HA 0.080 4.820 4.740 -0.001 0.000 0.196 996 N C 0.462 175.885 175.510 -0.144 0.000 1.142 996 N CA 0.005 52.997 53.050 -0.097 0.000 0.887 996 N CB 0.827 39.268 38.487 -0.077 0.000 1.022 996 N HN 0.128 nan 8.380 nan 0.000 0.500 997 L N 2.643 123.694 121.223 -0.286 0.000 2.451 997 L HA 0.175 4.515 4.340 -0.001 0.000 0.272 997 L C -0.078 176.633 176.870 -0.265 0.000 1.258 997 L CA 0.144 54.627 54.840 -0.594 0.000 1.132 997 L CB -0.525 40.761 42.059 -1.288 0.000 1.361 997 L HN -0.118 nan 8.230 nan 0.000 0.438 998 L N 2.134 123.362 121.223 0.008 0.000 2.305 998 L HA 0.249 4.589 4.340 -0.001 0.000 0.281 998 L C 0.904 177.883 176.870 0.182 0.000 1.085 998 L CA -0.321 54.571 54.840 0.087 0.000 0.813 998 L CB 1.808 43.889 42.059 0.037 0.000 1.157 998 L HN 0.261 nan 8.230 nan 0.000 0.436 999 V N 3.782 123.783 119.914 0.145 0.000 3.090 999 V HA 0.204 4.324 4.120 -0.001 0.000 0.237 999 V C 0.362 176.499 176.094 0.072 0.000 1.209 999 V CA 0.419 62.787 62.300 0.113 0.000 1.209 999 V CB 0.683 32.581 31.823 0.126 0.000 0.971 999 V HN 0.477 nan 8.190 nan 0.000 0.477 1000 L N -0.019 121.244 121.223 0.066 0.000 2.365 1000 L HA 0.547 4.887 4.340 -0.001 0.000 0.273 1000 L C 0.609 177.503 176.870 0.041 0.000 1.000 1000 L CA -0.358 54.515 54.840 0.055 0.000 0.819 1000 L CB 2.295 44.389 42.059 0.058 0.000 1.284 1000 L HN -0.007 nan 8.230 nan 0.000 0.418 1001 R N 0.914 121.436 120.500 0.037 0.000 2.437 1001 R HA 0.185 4.525 4.340 -0.001 0.000 0.257 1001 R C 0.816 177.129 176.300 0.021 0.000 0.927 1001 R CA -0.210 55.905 56.100 0.024 0.000 1.078 1001 R CB 0.883 31.195 30.300 0.020 0.000 1.161 1001 R HN 0.781 nan 8.270 nan 0.000 0.529 1002 G N 1.310 110.127 108.800 0.028 0.000 2.287 1002 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.235 1002 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.235 1002 G C 0.279 175.189 174.900 0.016 0.000 1.258 1002 G CA -0.039 45.076 45.100 0.024 0.000 0.884 1002 G HN 0.163 nan 8.290 nan 0.000 0.518 1003 K N 1.046 121.453 120.400 0.012 0.000 2.459 1003 K HA -0.034 4.285 4.320 -0.001 0.000 0.193 1003 K C 1.103 177.706 176.600 0.005 0.000 1.030 1003 K CA 0.258 56.548 56.287 0.006 0.000 1.026 1003 K CB -0.086 32.416 32.500 0.004 0.000 0.809 1003 K HN 0.785 nan 8.250 nan 0.000 0.504 1004 N N -0.465 118.240 118.700 0.008 0.000 2.408 1004 N HA -0.064 4.675 4.740 -0.001 0.000 0.260 1004 N C 0.694 176.205 175.510 0.002 0.000 1.242 1004 N CA -0.370 52.683 53.050 0.005 0.000 0.959 1004 N CB 0.661 39.153 38.487 0.009 0.000 1.201 1004 N HN -0.165 nan 8.380 nan 0.000 0.511 1005 E N 0.397 120.596 120.200 -0.002 0.000 2.038 1005 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 1005 E C 1.424 178.018 176.600 -0.010 0.000 1.000 1005 E CA 1.471 57.867 56.400 -0.008 0.000 0.803 1005 E CB -0.351 29.343 29.700 -0.010 0.000 0.750 1005 E HN 0.694 nan 8.360 nan 0.000 0.448 1006 I N 0.382 120.947 120.570 -0.009 0.000 2.091 1006 I HA -0.308 3.862 4.170 -0.001 0.000 0.239 1006 I C 2.069 178.183 176.117 -0.006 0.000 1.061 1006 I CA 0.987 62.279 61.300 -0.014 0.000 1.317 1006 I CB -0.403 37.590 38.000 -0.012 0.000 1.031 1006 I HN 0.239 nan 8.210 nan 0.000 0.401 1007 I N 0.297 120.872 120.570 0.009 0.000 2.163 1007 I HA -0.278 3.892 4.170 -0.001 0.000 0.243 1007 I C 2.586 178.711 176.117 0.013 0.000 1.085 1007 I CA 1.547 62.859 61.300 0.021 0.000 1.347 1007 I CB -1.564 36.453 38.000 0.030 0.000 1.044 1007 I HN 0.383 nan 8.210 nan 0.000 0.408 1008 Q N 0.520 120.322 119.800 0.004 0.000 2.234 1008 Q HA -0.170 4.170 4.340 -0.001 0.000 0.206 1008 Q C 1.927 177.922 176.000 -0.008 0.000 0.980 1008 Q CA 1.080 56.882 55.803 -0.002 0.000 0.869 1008 Q CB -0.446 28.289 28.738 -0.007 0.000 0.912 1008 Q HN 0.574 nan 8.270 nan 0.000 0.436 1009 N N 0.015 118.707 118.700 -0.012 0.000 2.290 1009 N HA -0.007 4.732 4.740 -0.001 0.000 0.179 1009 N C 1.572 177.072 175.510 -0.016 0.000 1.016 1009 N CA 1.071 54.108 53.050 -0.022 0.000 0.871 1009 N CB -0.055 38.414 38.487 -0.030 0.000 0.987 1009 N HN 0.192 nan 8.380 nan 0.000 0.431 1010 A N 0.952 123.768 122.820 -0.006 0.000 1.972 1010 A HA -0.180 4.140 4.320 -0.001 0.000 0.219 1010 A C 2.155 179.752 177.584 0.023 0.000 1.169 1010 A CA 1.531 53.572 52.037 0.008 0.000 0.635 1010 A CB -0.482 18.532 19.000 0.025 0.000 0.810 1010 A HN 0.286 nan 8.150 nan 0.000 0.446 1011 Q N 0.206 120.019 119.800 0.022 0.000 2.224 1011 Q HA -0.071 4.268 4.340 -0.001 0.000 0.203 1011 Q C 1.956 177.966 176.000 0.017 0.000 0.970 1011 Q CA 1.740 57.560 55.803 0.029 0.000 0.865 1011 Q CB -0.322 28.430 28.738 0.023 0.000 0.922 1011 Q HN 0.662 nan 8.270 nan 0.000 0.445 1012 R N -0.052 120.447 120.500 -0.003 0.000 2.119 1012 R HA -0.022 4.318 4.340 -0.001 0.000 0.222 1012 R C 1.441 177.730 176.300 -0.018 0.000 1.088 1012 R CA 1.150 57.238 56.100 -0.020 0.000 0.984 1012 R CB 0.030 30.306 30.300 -0.039 0.000 0.884 1012 R HN 0.395 nan 8.270 nan 0.000 0.447 1013 D N 1.033 121.428 120.400 -0.010 0.000 2.149 1013 D HA -0.078 4.561 4.640 -0.001 0.000 0.201 1013 D C 1.618 177.935 176.300 0.029 0.000 0.972 1013 D CA 1.181 55.178 54.000 -0.004 0.000 0.835 1013 D CB -0.068 40.729 40.800 -0.005 0.000 0.966 1013 D HN 0.183 nan 8.370 nan 0.000 0.476 1014 A N 0.374 123.222 122.820 0.047 0.000 2.209 1014 A HA 0.024 4.344 4.320 -0.001 0.000 0.212 1014 A C 1.834 179.491 177.584 0.121 0.000 1.158 1014 A CA 0.507 52.589 52.037 0.075 0.000 0.742 1014 A CB 0.124 19.172 19.000 0.080 0.000 0.790 1014 A HN 0.160 nan 8.150 nan 0.000 0.472 1015 V N -1.632 118.351 119.914 0.116 0.000 3.276 1015 V HA 0.045 4.165 4.120 -0.001 0.000 0.319 1015 V C 1.641 177.817 176.094 0.137 0.000 1.476 1015 V CA 1.044 63.446 62.300 0.169 0.000 1.097 1015 V CB -0.083 31.803 31.823 0.104 0.000 0.988 1015 V HN 0.498 nan 8.190 nan 0.000 0.473 1016 T N 0.949 115.553 114.554 0.083 0.000 2.701 1016 T HA -0.138 4.212 4.350 -0.001 0.000 0.263 1016 T C 1.715 176.480 174.700 0.109 0.000 1.040 1016 T CA 2.228 64.343 62.100 0.026 0.000 1.147 1016 T CB -0.143 68.697 68.868 -0.047 0.000 0.865 1016 T HN 0.342 nan 8.240 nan 0.000 0.426 1017 L N 0.615 121.949 121.223 0.185 0.000 1.994 1017 L HA 0.063 4.402 4.340 -0.001 0.000 0.208 1017 L C 2.051 179.045 176.870 0.206 0.000 1.071 1017 L CA 1.657 56.629 54.840 0.221 0.000 0.745 1017 L CB -0.996 41.185 42.059 0.203 0.000 0.892 1017 L HN 0.258 nan 8.230 nan 0.000 0.431 1018 F N -0.370 119.657 119.950 0.127 0.000 2.095 1018 F HA -0.312 4.215 4.527 -0.001 0.000 0.298 1018 F C 2.570 178.418 175.800 0.080 0.000 1.104 1018 F CA 2.024 60.106 58.000 0.137 0.000 1.232 1018 F CB -0.729 38.411 39.000 0.233 0.000 0.987 1018 F HN 0.184 nan 8.300 nan 0.000 0.475 1019 C N -0.384 119.026 119.300 0.183 0.000 2.413 1019 C HA -0.231 4.228 4.460 -0.001 0.000 0.277 1019 C C 3.073 178.041 174.990 -0.037 0.000 1.265 1019 C CA 1.208 60.250 59.018 0.041 0.000 1.752 1019 C CB -1.863 25.901 27.740 0.039 0.000 1.998 1019 C HN 0.720 nan 8.230 nan 0.000 0.489 1020 C N -0.281 119.020 119.300 0.002 0.000 2.435 1020 C HA -0.063 4.397 4.460 -0.001 0.000 0.279 1020 C C 2.503 177.472 174.990 -0.035 0.000 1.321 1020 C CA 0.878 59.901 59.018 0.007 0.000 1.752 1020 C CB -1.500 26.301 27.740 0.102 0.000 1.959 1020 C HN 0.682 nan 8.230 nan 0.000 0.500 1021 L N 0.583 121.747 121.223 -0.097 0.000 2.023 1021 L HA -0.019 4.320 4.340 -0.001 0.000 0.205 1021 L C 2.272 179.027 176.870 -0.192 0.000 1.073 1021 L CA 1.662 56.412 54.840 -0.149 0.000 0.745 1021 L CB -0.983 40.924 42.059 -0.253 0.000 0.900 1021 L HN 0.241 nan 8.230 nan 0.000 0.435 1022 L N 0.117 121.139 121.223 -0.335 0.000 1.963 1022 L HA -0.284 4.055 4.340 -0.001 0.000 0.220 1022 L C 2.766 179.600 176.870 -0.060 0.000 1.076 1022 L CA 2.107 56.804 54.840 -0.237 0.000 0.772 1022 L CB -0.577 41.348 42.059 -0.223 0.000 0.892 1022 L HN 0.270 nan 8.230 nan 0.000 0.435 1023 R N -0.608 119.868 120.500 -0.040 0.000 2.117 1023 R HA -0.178 4.162 4.340 -0.001 0.000 0.243 1023 R C 2.378 178.701 176.300 0.040 0.000 1.143 1023 R CA 1.632 57.736 56.100 0.006 0.000 0.968 1023 R CB -0.734 29.553 30.300 -0.021 0.000 0.863 1023 R HN 0.704 nan 8.270 nan 0.000 0.444 1024 S N 0.157 115.870 115.700 0.020 0.000 2.428 1024 S HA -0.002 4.468 4.470 -0.001 0.000 0.230 1024 S C 1.783 176.546 174.600 0.273 0.000 1.014 1024 S CA 0.438 58.696 58.200 0.097 0.000 0.957 1024 S CB 0.108 63.336 63.200 0.046 0.000 0.784 1024 S HN 0.162 nan 8.310 nan 0.000 0.499 1025 R N 0.716 121.323 120.500 0.178 0.000 2.223 1025 R HA 0.377 4.716 4.340 -0.001 0.000 0.198 1025 R C 0.977 177.474 176.300 0.329 0.000 0.984 1025 R CA 0.396 56.644 56.100 0.246 0.000 1.018 1025 R CB -0.440 29.938 30.300 0.130 0.000 0.945 1025 R HN 0.463 nan 8.270 nan 0.000 0.479 1026 L N 0.811 122.177 121.223 0.238 0.000 3.110 1026 L HA 0.417 4.757 4.340 -0.001 0.000 0.266 1026 L C 0.192 177.196 176.870 0.223 0.000 1.257 1026 L CA -0.552 54.452 54.840 0.275 0.000 1.038 1026 L CB 0.610 42.807 42.059 0.229 0.000 1.395 1026 L HN -0.130 nan 8.230 nan 0.000 0.566 1027 A N -0.014 122.931 122.820 0.208 0.000 2.488 1027 A HA 0.248 4.567 4.320 -0.001 0.000 0.249 1027 A C 1.514 179.153 177.584 0.091 0.000 1.083 1027 A CA 0.146 52.293 52.037 0.183 0.000 0.768 1027 A CB 0.332 19.539 19.000 0.346 0.000 1.017 1027 A HN 0.354 nan 8.150 nan 0.000 0.496 1028 T N 1.716 116.306 114.554 0.059 0.000 2.594 1028 T HA -0.296 4.053 4.350 -0.001 0.000 0.266 1028 T C 2.057 176.725 174.700 -0.053 0.000 1.070 1028 T CA 2.225 64.321 62.100 -0.007 0.000 1.166 1028 T CB -0.294 68.565 68.868 -0.015 0.000 0.862 1028 T HN 0.744 nan 8.240 nan 0.000 0.436 1029 R N 0.541 121.000 120.500 -0.068 0.000 2.091 1029 R HA -0.089 4.251 4.340 -0.001 0.000 0.238 1029 R C 2.664 178.839 176.300 -0.209 0.000 1.136 1029 R CA 1.240 57.261 56.100 -0.131 0.000 0.959 1029 R CB -0.062 30.147 30.300 -0.152 0.000 0.856 1029 R HN 0.264 nan 8.270 nan 0.000 0.437 1030 R N -0.018 120.325 120.500 -0.261 0.000 2.096 1030 R HA -0.095 4.245 4.340 -0.001 0.000 0.235 1030 R C 2.223 178.181 176.300 -0.571 0.000 1.127 1030 R CA 1.464 57.277 56.100 -0.479 0.000 0.968 1030 R CB -0.458 29.605 30.300 -0.395 0.000 0.861 1030 R HN 0.200 nan 8.270 nan 0.000 0.440 1031 V N 1.153 120.963 119.914 -0.172 0.000 2.427 1031 V HA -0.183 3.937 4.120 -0.001 0.000 0.248 1031 V C 2.318 178.403 176.094 -0.015 0.000 1.051 1031 V CA 1.512 63.844 62.300 0.053 0.000 1.048 1031 V CB -0.377 31.499 31.823 0.090 0.000 0.666 1031 V HN 0.191 nan 8.190 nan 0.000 0.456 1032 L N -0.834 120.339 121.223 -0.082 0.000 2.253 1032 L HA 0.017 4.357 4.340 -0.001 0.000 0.205 1032 L C 2.488 179.319 176.870 -0.064 0.000 1.078 1032 L CA 1.108 55.909 54.840 -0.065 0.000 0.805 1032 L CB -0.302 41.712 42.059 -0.074 0.000 0.963 1032 L HN 0.291 nan 8.230 nan 0.000 0.459 1033 Q N -0.025 119.708 119.800 -0.112 0.000 2.204 1033 Q HA -0.081 4.258 4.340 -0.001 0.000 0.198 1033 Q C 1.856 177.797 176.000 -0.098 0.000 0.946 1033 Q CA 0.967 56.711 55.803 -0.098 0.000 0.859 1033 Q CB 0.424 29.087 28.738 -0.124 0.000 0.946 1033 Q HN 0.430 nan 8.270 nan 0.000 0.474 1034 E N -0.906 119.167 120.200 -0.212 0.000 2.065 1034 E HA -0.049 4.301 4.350 -0.001 0.000 0.191 1034 E C 1.763 178.375 176.600 0.019 0.000 0.960 1034 E CA 0.618 56.899 56.400 -0.198 0.000 0.824 1034 E CB -0.055 29.372 29.700 -0.454 0.000 0.793 1034 E HN 0.445 nan 8.360 nan 0.000 0.459 1035 Y N 0.213 120.564 120.300 0.085 0.000 2.337 1035 Y HA 0.080 4.630 4.550 -0.001 0.000 0.293 1035 Y C 0.597 176.538 175.900 0.068 0.000 1.123 1035 Y CA -0.231 57.932 58.100 0.105 0.000 1.201 1035 Y CB 0.307 38.821 38.460 0.091 0.000 1.011 1035 Y HN -0.157 nan 8.280 nan 0.000 0.545 1036 R N 0.351 120.942 120.500 0.151 0.000 3.525 1036 R HA -0.183 4.157 4.340 -0.001 0.000 0.276 1036 R C -0.639 175.676 176.300 0.026 0.000 1.116 1036 R CA 0.336 56.465 56.100 0.048 0.000 0.745 1036 R CB -2.542 27.744 30.300 -0.023 0.000 1.185 1036 R HN 0.397 nan 8.270 nan 0.000 0.454 1037 L N 0.683 121.966 121.223 0.100 0.000 2.467 1037 L HA 0.131 4.470 4.340 -0.001 0.000 0.270 1037 L C 1.698 178.578 176.870 0.016 0.000 1.205 1037 L CA 0.509 55.400 54.840 0.084 0.000 0.828 1037 L CB 0.556 42.737 42.059 0.202 0.000 1.101 1037 L HN 0.226 nan 8.230 nan 0.000 0.479 1038 T N -1.797 112.744 114.554 -0.022 0.000 2.923 1038 T HA 0.224 4.574 4.350 -0.001 0.000 0.281 1038 T C 0.741 175.424 174.700 -0.029 0.000 0.995 1038 T CA -0.847 61.224 62.100 -0.048 0.000 0.985 1038 T CB 1.693 70.515 68.868 -0.077 0.000 1.114 1038 T HN 0.512 nan 8.240 nan 0.000 0.548 1039 K N 0.165 120.547 120.400 -0.031 0.000 2.103 1039 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 1039 K C 2.272 178.892 176.600 0.034 0.000 1.048 1039 K CA 1.873 58.169 56.287 0.016 0.000 0.930 1039 K CB -0.558 31.941 32.500 -0.002 0.000 0.716 1039 K HN 0.758 nan 8.250 nan 0.000 0.444 1040 Q N -0.634 119.114 119.800 -0.088 0.000 1.994 1040 Q HA -0.077 4.263 4.340 -0.001 0.000 0.198 1040 Q C 1.984 177.700 176.000 -0.472 0.000 0.976 1040 Q CA 1.581 57.257 55.803 -0.210 0.000 0.828 1040 Q CB -0.341 28.254 28.738 -0.238 0.000 0.894 1040 Q HN 0.388 nan 8.270 nan 0.000 0.432 1041 A N 0.584 122.958 122.820 -0.744 0.000 1.892 1041 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 1041 A C 1.910 179.447 177.584 -0.077 0.000 1.188 1041 A CA 1.632 53.202 52.037 -0.779 0.000 0.631 1041 A CB -1.208 17.543 19.000 -0.415 0.000 0.822 1041 A HN 0.635 nan 8.150 nan 0.000 0.447 1042 F N 1.353 121.240 119.950 -0.106 0.000 2.065 1042 F HA -0.246 4.280 4.527 -0.001 0.000 0.298 1042 F C 1.760 177.577 175.800 0.029 0.000 1.112 1042 F CA 2.445 60.445 58.000 0.000 0.000 1.212 1042 F CB -0.585 38.411 39.000 -0.005 0.000 0.975 1042 F HN 0.298 nan 8.300 nan 0.000 0.476 1043 D N -0.758 119.681 120.400 0.065 0.000 2.158 1043 D HA -0.258 4.382 4.640 -0.001 0.000 0.197 1043 D C 1.711 177.997 176.300 -0.024 0.000 0.995 1043 D CA 1.692 55.680 54.000 -0.021 0.000 0.846 1043 D CB -0.657 40.197 40.800 0.091 0.000 0.941 1043 D HN 0.584 nan 8.370 nan 0.000 0.456 1044 W N 0.857 122.082 121.300 -0.125 0.000 2.379 1044 W HA -0.169 4.491 4.660 -0.001 0.000 0.307 1044 W C 2.002 178.489 176.519 -0.055 0.000 1.200 1044 W CA 1.011 58.343 57.345 -0.023 0.000 1.297 1044 W CB -0.464 29.064 29.460 0.114 0.000 1.140 1044 W HN -0.212 nan 8.180 nan 0.000 0.507 1045 V N 1.516 121.410 119.914 -0.033 0.000 2.332 1045 V HA -0.358 3.762 4.120 -0.001 0.000 0.248 1045 V C 2.385 178.269 176.094 -0.349 0.000 1.055 1045 V CA 2.125 64.277 62.300 -0.247 0.000 1.038 1045 V CB -1.106 30.658 31.823 -0.098 0.000 0.651 1045 V HN 0.261 nan 8.190 nan 0.000 0.450 1046 L N 0.728 121.721 121.223 -0.383 0.000 1.994 1046 L HA -0.173 4.166 4.340 -0.001 0.000 0.208 1046 L C 2.722 179.450 176.870 -0.237 0.000 1.071 1046 L CA 2.047 56.694 54.840 -0.323 0.000 0.745 1046 L CB -0.934 40.907 42.059 -0.364 0.000 0.892 1046 L HN 0.556 nan 8.230 nan 0.000 0.431 1047 S N -0.892 114.667 115.700 -0.236 0.000 2.419 1047 S HA -0.164 4.305 4.470 -0.001 0.000 0.233 1047 S C 1.795 176.252 174.600 -0.238 0.000 1.016 1047 S CA 1.074 59.160 58.200 -0.190 0.000 0.974 1047 S CB -0.482 62.633 63.200 -0.142 0.000 0.786 1047 S HN 0.405 nan 8.310 nan 0.000 0.492 1048 N N 1.895 120.363 118.700 -0.387 0.000 2.135 1048 N HA 0.080 4.820 4.740 -0.001 0.000 0.186 1048 N C 1.721 177.105 175.510 -0.210 0.000 1.027 1048 N CA 1.510 54.315 53.050 -0.409 0.000 0.849 1048 N CB -0.342 37.696 38.487 -0.748 0.000 1.002 1048 N HN 0.467 nan 8.380 nan 0.000 0.425 1049 I N 1.287 121.760 120.570 -0.161 0.000 2.264 1049 I HA -0.239 3.931 4.170 -0.001 0.000 0.248 1049 I C 2.456 178.581 176.117 0.013 0.000 1.111 1049 I CA 1.081 62.374 61.300 -0.011 0.000 1.382 1049 I CB -0.278 37.747 38.000 0.042 0.000 1.060 1049 I HN 0.283 nan 8.210 nan 0.000 0.418 1050 E N 1.274 121.445 120.200 -0.049 0.000 2.031 1050 E HA -0.242 4.107 4.350 -0.001 0.000 0.193 1050 E C 2.331 178.934 176.600 0.004 0.000 0.994 1050 E CA 1.394 57.775 56.400 -0.032 0.000 0.800 1050 E CB -0.037 29.622 29.700 -0.067 0.000 0.752 1050 E HN 0.467 nan 8.360 nan 0.000 0.447 1051 A N 1.064 123.859 122.820 -0.041 0.000 1.940 1051 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 1051 A C 2.068 179.640 177.584 -0.020 0.000 1.176 1051 A CA 1.624 53.640 52.037 -0.034 0.000 0.631 1051 A CB -0.456 18.508 19.000 -0.060 0.000 0.814 1051 A HN 0.338 nan 8.150 nan 0.000 0.446 1052 Q N -2.041 117.750 119.800 -0.014 0.000 2.096 1052 Q HA -0.088 4.252 4.340 -0.001 0.000 0.197 1052 Q C 1.988 177.968 176.000 -0.033 0.000 0.964 1052 Q CA 1.230 57.027 55.803 -0.009 0.000 0.838 1052 Q CB -0.319 28.424 28.738 0.008 0.000 0.906 1052 Q HN 0.716 nan 8.270 nan 0.000 0.444 1053 F N 2.007 121.860 119.950 -0.161 0.000 2.046 1053 F HA -0.247 4.280 4.527 -0.001 0.000 0.297 1053 F C 2.059 177.743 175.800 -0.193 0.000 1.123 1053 F CA 1.456 59.303 58.000 -0.255 0.000 1.199 1053 F CB -0.305 38.498 39.000 -0.327 0.000 0.972 1053 F HN -0.062 nan 8.300 nan 0.000 0.474 1054 L N -0.018 121.258 121.223 0.088 0.000 2.081 1054 L HA -0.262 4.078 4.340 -0.001 0.000 0.212 1054 L C 2.610 179.398 176.870 -0.136 0.000 1.080 1054 L CA 1.693 56.530 54.840 -0.005 0.000 0.754 1054 L CB -0.725 41.350 42.059 0.026 0.000 0.893 1054 L HN 0.150 nan 8.230 nan 0.000 0.433 1055 R N -0.372 120.047 120.500 -0.135 0.000 2.189 1055 R HA -0.069 4.271 4.340 -0.001 0.000 0.218 1055 R C 1.912 177.974 176.300 -0.397 0.000 1.074 1055 R CA 1.120 57.120 56.100 -0.167 0.000 0.991 1055 R CB 0.095 30.351 30.300 -0.074 0.000 0.883 1055 R HN 0.263 nan 8.270 nan 0.000 0.457 1056 S N -0.242 115.208 115.700 -0.417 0.000 2.575 1056 S HA 0.101 4.571 4.470 -0.001 0.000 0.215 1056 S C 0.354 174.703 174.600 -0.419 0.000 0.966 1056 S CA -0.265 57.633 58.200 -0.504 0.000 0.911 1056 S CB 0.623 63.628 63.200 -0.326 0.000 0.780 1056 S HN -0.024 nan 8.310 nan 0.000 0.514 1057 V N 2.496 122.197 119.914 -0.354 0.000 2.715 1057 V HA 0.138 4.258 4.120 -0.001 0.000 0.299 1057 V C 0.663 176.726 176.094 -0.051 0.000 1.054 1057 V CA -0.417 61.755 62.300 -0.213 0.000 1.077 1057 V CB 1.337 33.053 31.823 -0.179 0.000 0.972 1057 V HN 0.242 nan 8.190 nan 0.000 0.484 1058 V N 5.866 125.798 119.914 0.029 0.000 2.740 1058 V HA 0.107 4.227 4.120 -0.001 0.000 0.303 1058 V C 0.348 176.514 176.094 0.120 0.000 1.054 1058 V CA -0.004 62.357 62.300 0.102 0.000 1.106 1058 V CB 0.317 32.227 31.823 0.144 0.000 0.957 1058 V HN 0.874 nan 8.190 nan 0.000 0.486 1059 H N 6.366 125.369 119.070 -0.112 0.000 2.527 1059 H HA 0.320 4.876 4.556 -0.001 0.000 0.321 1059 H C -2.317 172.879 175.328 -0.219 0.000 1.087 1059 H CA -1.939 54.026 56.048 -0.139 0.000 1.337 1059 H CB 1.391 31.093 29.762 -0.100 0.000 1.440 1059 H HN 0.564 nan 8.280 nan 0.000 0.490 1060 P HA -0.028 nan 4.420 nan 0.000 0.265 1060 P C 0.880 177.955 177.300 -0.375 0.000 1.193 1060 P CA 1.036 63.832 63.100 -0.507 0.000 0.765 1060 P CB 0.744 31.716 31.700 -1.213 0.000 0.823 1061 G N 1.346 109.957 108.800 -0.315 0.000 2.253 1061 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.209 1061 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.209 1061 G C 0.084 174.899 174.900 -0.141 0.000 0.997 1061 G CA -0.501 44.497 45.100 -0.170 0.000 0.640 1061 G HN 0.494 nan 8.290 nan 0.000 0.496 1062 E N 1.342 121.444 120.200 -0.162 0.000 2.417 1062 E HA 0.194 4.543 4.350 -0.001 0.000 0.261 1062 E C 0.788 177.286 176.600 -0.169 0.000 1.000 1062 E CA 0.117 56.422 56.400 -0.158 0.000 0.919 1062 E CB 0.354 29.930 29.700 -0.206 0.000 0.955 1062 E HN 0.193 nan 8.360 nan 0.000 0.455 1063 M N 4.262 123.794 119.600 -0.114 0.000 3.706 1063 M HA 0.014 4.493 4.480 -0.001 0.000 0.204 1063 M C 1.197 177.451 176.300 -0.075 0.000 1.455 1063 M CA -0.252 54.995 55.300 -0.088 0.000 1.659 1063 M CB -0.819 31.745 32.600 -0.059 0.000 1.076 1063 M HN 0.233 nan 8.290 nan 0.000 0.577 1064 V N 0.951 120.784 119.914 -0.136 0.000 2.453 1064 V HA -0.262 3.858 4.120 -0.001 0.000 0.252 1064 V C 2.250 178.363 176.094 0.032 0.000 1.068 1064 V CA 2.418 64.656 62.300 -0.103 0.000 1.070 1064 V CB -1.018 30.568 31.823 -0.394 0.000 0.664 1064 V HN 0.778 nan 8.190 nan 0.000 0.461 1065 G N -0.568 108.235 108.800 0.005 0.000 2.484 1065 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.215 1065 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.215 1065 G C 1.688 176.602 174.900 0.025 0.000 1.219 1065 G CA 1.077 46.194 45.100 0.029 0.000 0.791 1065 G HN 0.336 nan 8.290 nan 0.000 0.550 1066 V N 0.839 120.753 119.914 0.001 0.000 2.324 1066 V HA -0.193 3.926 4.120 -0.001 0.000 0.250 1066 V C 2.800 178.890 176.094 -0.005 0.000 1.060 1066 V CA 1.930 64.225 62.300 -0.009 0.000 1.042 1066 V CB -0.471 31.341 31.823 -0.018 0.000 0.650 1066 V HN 0.369 nan 8.190 nan 0.000 0.450 1067 L N 0.753 121.983 121.223 0.012 0.000 2.042 1067 L HA -0.158 4.182 4.340 -0.001 0.000 0.210 1067 L C 2.431 179.286 176.870 -0.024 0.000 1.076 1067 L CA 2.558 57.405 54.840 0.012 0.000 0.749 1067 L CB -0.930 41.181 42.059 0.085 0.000 0.893 1067 L HN 0.238 nan 8.230 nan 0.000 0.432 1068 A N -0.624 122.255 122.820 0.099 0.000 1.902 1068 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 1068 A C 2.440 180.019 177.584 -0.008 0.000 1.181 1068 A CA 1.863 53.978 52.037 0.129 0.000 0.623 1068 A CB -1.154 17.966 19.000 0.200 0.000 0.818 1068 A HN 0.605 nan 8.150 nan 0.000 0.443 1069 A N -0.707 122.104 122.820 -0.017 0.000 1.873 1069 A HA -0.178 4.142 4.320 -0.001 0.000 0.215 1069 A C 2.120 179.663 177.584 -0.070 0.000 1.186 1069 A CA 1.535 53.547 52.037 -0.042 0.000 0.616 1069 A CB -0.561 18.416 19.000 -0.039 0.000 0.823 1069 A HN 0.635 nan 8.150 nan 0.000 0.442 1070 Q N -0.302 119.457 119.800 -0.068 0.000 2.167 1070 Q HA -0.077 4.262 4.340 -0.001 0.000 0.202 1070 Q C 2.239 178.181 176.000 -0.097 0.000 0.970 1070 Q CA 1.474 57.239 55.803 -0.063 0.000 0.855 1070 Q CB -0.162 28.566 28.738 -0.016 0.000 0.911 1070 Q HN 0.603 nan 8.270 nan 0.000 0.438 1071 S N 0.523 116.113 115.700 -0.183 0.000 2.447 1071 S HA -0.001 4.469 4.470 -0.001 0.000 0.233 1071 S C 1.799 176.293 174.600 -0.177 0.000 1.006 1071 S CA 0.697 58.732 58.200 -0.274 0.000 0.957 1071 S CB 0.055 62.793 63.200 -0.770 0.000 0.773 1071 S HN 0.325 nan 8.310 nan 0.000 0.507 1072 I N 0.327 120.820 120.570 -0.129 0.000 3.035 1072 I HA 0.096 4.266 4.170 -0.001 0.000 0.271 1072 I C 2.449 178.505 176.117 -0.101 0.000 1.190 1072 I CA 0.670 61.912 61.300 -0.098 0.000 1.472 1072 I CB -0.603 37.355 38.000 -0.070 0.000 1.116 1072 I HN 0.307 nan 8.210 nan 0.000 0.443 1073 G N 0.557 109.294 108.800 -0.105 0.000 2.408 1073 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.213 1073 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.213 1073 G C 1.516 176.337 174.900 -0.131 0.000 1.177 1073 G CA 0.145 45.181 45.100 -0.106 0.000 0.802 1073 G HN 0.181 nan 8.290 nan 0.000 0.533 1074 E N 1.171 121.265 120.200 -0.177 0.000 2.033 1074 E HA -0.135 4.215 4.350 -0.001 0.000 0.199 1074 E C 0.267 176.734 176.600 -0.222 0.000 1.011 1074 E CA 1.833 58.065 56.400 -0.280 0.000 0.815 1074 E CB -0.890 28.471 29.700 -0.565 0.000 0.755 1074 E HN 0.346 nan 8.360 nan 0.000 0.451 1075 P HA -0.061 nan 4.420 nan 0.000 0.221 1075 P C 1.031 178.271 177.300 -0.100 0.000 1.150 1075 P CA 1.607 64.632 63.100 -0.124 0.000 0.800 1075 P CB -0.130 31.509 31.700 -0.101 0.000 0.787 1076 A N -0.211 122.549 122.820 -0.100 0.000 2.172 1076 A HA -0.055 4.264 4.320 -0.001 0.000 0.216 1076 A C 2.112 179.653 177.584 -0.071 0.000 1.154 1076 A CA 1.587 53.576 52.037 -0.079 0.000 0.701 1076 A CB -1.571 17.384 19.000 -0.076 0.000 0.789 1076 A HN 0.180 nan 8.150 nan 0.000 0.465 1077 T N 0.254 114.757 114.554 -0.084 0.000 3.043 1077 T HA -0.032 4.318 4.350 -0.001 0.000 0.263 1077 T C 1.100 175.762 174.700 -0.064 0.000 1.094 1077 T CA 0.818 62.874 62.100 -0.073 0.000 1.127 1077 T CB -0.058 68.756 68.868 -0.090 0.000 0.905 1077 T HN 0.497 nan 8.240 nan 0.000 0.490 1078 Q N 0.898 120.656 119.800 -0.069 0.000 2.297 1078 Q HA 0.299 4.638 4.340 -0.001 0.000 0.265 1078 Q C -0.133 175.840 176.000 -0.045 0.000 0.904 1078 Q CA 0.123 55.892 55.803 -0.056 0.000 0.969 1078 Q CB -0.379 28.324 28.738 -0.058 0.000 1.115 1078 Q HN 0.525 nan 8.270 nan 0.000 0.433 1079 M N 1.143 120.717 119.600 -0.043 0.000 3.157 1079 M HA 0.199 4.678 4.480 -0.001 0.000 0.213 1079 M C -0.597 175.686 176.300 -0.029 0.000 1.177 1079 M CA -0.023 55.256 55.300 -0.036 0.000 1.109 1079 M CB 0.682 33.259 32.600 -0.038 0.000 1.262 1079 M HN -0.178 nan 8.290 nan 0.000 0.570 1080 T N 2.959 117.498 114.554 -0.026 0.000 2.801 1080 T HA 0.735 5.085 4.350 -0.001 0.000 0.306 1080 T C -0.172 174.518 174.700 -0.017 0.000 1.020 1080 T CA -0.230 61.857 62.100 -0.022 0.000 0.948 1080 T CB 1.137 69.990 68.868 -0.023 0.000 0.962 1080 T HN 0.437 nan 8.240 nan 0.000 0.465 1093 K N 2.764 123.177 120.400 0.021 0.000 3.000 1093 K HA 0.221 4.541 4.320 -0.001 0.000 0.265 1093 K C -0.866 175.748 176.600 0.023 0.000 1.260 1093 K CA 0.108 56.406 56.287 0.018 0.000 1.209 1093 K CB 0.351 32.859 32.500 0.015 0.000 1.484 1093 K HN -0.087 nan 8.250 nan 0.000 0.283 1094 V N 0.511 120.440 119.914 0.026 0.000 2.789 1094 V HA 0.145 4.264 4.120 -0.001 0.000 0.311 1094 V C 0.155 176.264 176.094 0.025 0.000 1.073 1094 V CA -1.083 61.235 62.300 0.031 0.000 0.921 1094 V CB 2.214 34.065 31.823 0.047 0.000 1.009 1094 V HN 0.305 nan 8.190 nan 0.000 0.426 1095 T N 3.871 118.439 114.554 0.023 0.000 2.853 1095 T HA 0.400 4.749 4.350 -0.001 0.000 0.298 1095 T C 0.435 175.150 174.700 0.025 0.000 0.978 1095 T CA 0.138 62.250 62.100 0.019 0.000 1.152 1095 T CB 0.376 69.254 68.868 0.017 0.000 0.914 1095 T HN 0.988 nan 8.240 nan 0.000 0.539 1096 S N 2.287 117.996 115.700 0.016 0.000 3.331 1096 S HA 0.914 5.384 4.470 -0.001 0.000 0.316 1096 S C 0.806 175.407 174.600 0.003 0.000 1.104 1096 S CA -0.443 57.764 58.200 0.013 0.000 0.977 1096 S CB 0.581 63.785 63.200 0.008 0.000 1.370 1096 S HN 1.202 nan 8.310 nan 0.000 0.731 1097 G N 0.251 109.046 108.800 -0.008 0.000 2.574 1097 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.295 1097 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.295 1097 G C 0.826 175.719 174.900 -0.011 0.000 1.300 1097 G CA 0.474 45.565 45.100 -0.014 0.000 0.944 1097 G HN 1.471 nan 8.290 nan 0.000 0.551 1098 V N 2.927 122.833 119.914 -0.012 0.000 2.287 1098 V HA -0.146 3.973 4.120 -0.001 0.000 0.248 1098 V C 0.842 176.938 176.094 0.004 0.000 1.053 1098 V CA 3.026 65.322 62.300 -0.007 0.000 1.027 1098 V CB -1.644 30.175 31.823 -0.007 0.000 0.646 1098 V HN 0.756 nan 8.190 nan 0.000 0.447 1099 P HA -0.225 nan 4.420 nan 0.000 0.216 1099 P C 1.566 178.877 177.300 0.019 0.000 1.150 1099 P CA 1.718 64.824 63.100 0.010 0.000 0.843 1099 P CB -0.013 31.689 31.700 0.004 0.000 0.787 1100 R N 0.200 120.713 120.500 0.021 0.000 2.062 1100 R HA -0.036 4.303 4.340 -0.001 0.000 0.229 1100 R C 2.377 178.705 176.300 0.047 0.000 1.128 1100 R CA 0.956 57.079 56.100 0.038 0.000 0.960 1100 R CB -1.867 28.456 30.300 0.038 0.000 0.855 1100 R HN 0.084 nan 8.270 nan 0.000 0.432 1101 L N 1.057 122.294 121.223 0.024 0.000 2.042 1101 L HA -0.114 4.226 4.340 -0.001 0.000 0.210 1101 L C 1.979 178.865 176.870 0.027 0.000 1.076 1101 L CA 1.944 56.793 54.840 0.014 0.000 0.749 1101 L CB -0.486 41.566 42.059 -0.012 0.000 0.893 1101 L HN 0.111 nan 8.230 nan 0.000 0.432 1102 K N -0.329 120.089 120.400 0.030 0.000 2.283 1102 K HA -0.185 4.134 4.320 -0.001 0.000 0.202 1102 K C 1.966 178.598 176.600 0.052 0.000 1.048 1102 K CA 1.228 57.540 56.287 0.041 0.000 0.948 1102 K CB 0.141 32.667 32.500 0.044 0.000 0.742 1102 K HN 0.570 nan 8.250 nan 0.000 0.458 1103 E N -0.099 120.137 120.200 0.061 0.000 2.250 1103 E HA 0.023 4.372 4.350 -0.001 0.000 0.192 1103 E C 1.847 178.539 176.600 0.154 0.000 0.986 1103 E CA 0.126 56.571 56.400 0.075 0.000 0.849 1103 E CB 0.264 29.997 29.700 0.055 0.000 0.797 1103 E HN 0.196 nan 8.360 nan 0.000 0.482 1104 I N 0.535 121.211 120.570 0.177 0.000 2.296 1104 I HA -0.194 3.976 4.170 -0.001 0.000 0.242 1104 I C 2.012 178.230 176.117 0.168 0.000 1.087 1104 I CA 0.687 62.154 61.300 0.279 0.000 1.393 1104 I CB -0.048 38.023 38.000 0.119 0.000 1.093 1104 I HN 0.149 nan 8.210 nan 0.000 0.421 1105 L N 0.747 122.009 121.223 0.065 0.000 2.362 1105 L HA -0.134 4.206 4.340 -0.001 0.000 0.219 1105 L C 1.738 178.638 176.870 0.050 0.000 1.134 1105 L CA 0.751 55.607 54.840 0.027 0.000 0.807 1105 L CB -0.641 41.413 42.059 -0.008 0.000 0.927 1105 L HN 0.319 nan 8.230 nan 0.000 0.447 1106 N N -0.595 118.149 118.700 0.074 0.000 2.424 1106 N HA 0.018 4.758 4.740 -0.001 0.000 0.178 1106 N C 0.602 176.151 175.510 0.064 0.000 1.060 1106 N CA 0.284 53.359 53.050 0.041 0.000 0.901 1106 N CB 0.577 39.080 38.487 0.028 0.000 0.979 1106 N HN -0.060 nan 8.380 nan 0.000 0.451 1107 V N 0.406 120.421 119.914 0.169 0.000 6.078 1107 V HA -0.259 3.861 4.120 -0.001 0.000 0.301 1107 V C 0.340 176.478 176.094 0.073 0.000 0.571 1107 V CA 0.296 62.728 62.300 0.221 0.000 0.625 1107 V CB -2.720 29.232 31.823 0.216 0.000 0.271 1107 V HN 0.391 nan 8.190 nan 0.000 0.788 1108 A N 1.008 123.845 122.820 0.029 0.000 2.409 1108 A HA 0.593 4.913 4.320 -0.001 0.000 0.262 1108 A C 1.055 178.596 177.584 -0.071 0.000 1.113 1108 A CA 0.405 52.430 52.037 -0.021 0.000 0.790 1108 A CB 0.798 19.788 19.000 -0.017 0.000 1.046 1108 A HN 0.572 nan 8.150 nan 0.000 0.496 1109 K N 1.816 122.184 120.400 -0.053 0.000 2.217 1109 K HA -0.019 4.301 4.320 -0.001 0.000 0.202 1109 K C -0.105 176.449 176.600 -0.077 0.000 1.051 1109 K CA 1.262 57.508 56.287 -0.068 0.000 0.952 1109 K CB 0.121 32.600 32.500 -0.036 0.000 0.736 1109 K HN 0.700 nan 8.250 nan 0.000 0.453 1110 N N 1.577 120.241 118.700 -0.060 0.000 2.955 1110 N HA 0.118 4.857 4.740 -0.001 0.000 0.242 1110 N C -0.606 174.870 175.510 -0.056 0.000 1.123 1110 N CA -0.042 52.975 53.050 -0.055 0.000 0.949 1110 N CB 0.724 39.189 38.487 -0.037 0.000 1.214 1110 N HN 0.155 nan 8.380 nan 0.000 0.504 1111 M N 0.622 120.176 119.600 -0.076 0.000 2.245 1111 M HA 0.085 4.564 4.480 -0.001 0.000 0.330 1111 M C 1.652 177.927 176.300 -0.042 0.000 1.098 1111 M CA 0.219 55.480 55.300 -0.066 0.000 1.172 1111 M CB 1.306 33.852 32.600 -0.091 0.000 1.467 1111 M HN 0.195 nan 8.290 nan 0.000 0.454 1112 K N 0.563 120.947 120.400 -0.027 0.000 2.062 1112 K HA -0.021 4.298 4.320 -0.001 0.000 0.205 1112 K C 0.359 176.949 176.600 -0.016 0.000 1.051 1112 K CA 1.131 57.407 56.287 -0.018 0.000 0.941 1112 K CB 0.182 32.676 32.500 -0.009 0.000 0.719 1112 K HN 0.676 nan 8.250 nan 0.000 0.440 1113 T N 2.283 116.829 114.554 -0.014 0.000 3.514 1113 T HA 0.221 4.571 4.350 -0.001 0.000 0.259 1113 T C -2.721 171.972 174.700 -0.013 0.000 1.466 1113 T CA -1.310 60.785 62.100 -0.007 0.000 1.562 1113 T CB 1.094 69.967 68.868 0.007 0.000 0.924 1113 T HN -0.095 nan 8.240 nan 0.000 0.678 1114 P HA 0.164 nan 4.420 nan 0.000 0.258 1114 P C -0.059 177.225 177.300 -0.027 0.000 1.214 1114 P CA 0.397 63.470 63.100 -0.045 0.000 0.872 1114 P CB 0.222 31.890 31.700 -0.055 0.000 0.890 1115 S N 3.455 119.144 115.700 -0.018 0.000 2.718 1115 S HA 0.774 5.244 4.470 -0.001 0.000 0.300 1115 S C -1.127 173.470 174.600 -0.006 0.000 1.117 1115 S CA -0.626 57.577 58.200 0.006 0.000 1.002 1115 S CB 0.494 63.718 63.200 0.041 0.000 1.092 1115 S HN 0.227 nan 8.310 nan 0.000 0.542 1116 L N 2.071 123.305 121.223 0.019 0.000 2.516 1116 L HA 0.482 4.822 4.340 -0.001 0.000 0.267 1116 L C -0.914 175.986 176.870 0.050 0.000 0.957 1116 L CA 0.126 54.979 54.840 0.021 0.000 0.860 1116 L CB 2.039 44.101 42.059 0.005 0.000 1.265 1116 L HN 0.712 nan 8.230 nan 0.000 0.403 1117 T N 4.186 118.804 114.554 0.107 0.000 2.743 1117 T HA 0.591 4.941 4.350 -0.001 0.000 0.292 1117 T C -0.601 174.083 174.700 -0.028 0.000 0.972 1117 T CA -0.328 61.801 62.100 0.049 0.000 0.967 1117 T CB 0.945 69.922 68.868 0.182 0.000 0.926 1117 T HN 0.490 nan 8.240 nan 0.000 0.459 1118 V N 2.765 122.578 119.914 -0.168 0.000 2.378 1118 V HA 0.666 4.785 4.120 -0.001 0.000 0.288 1118 V C -1.219 174.719 176.094 -0.261 0.000 1.016 1118 V CA -1.028 61.205 62.300 -0.111 0.000 0.840 1118 V CB 0.213 32.022 31.823 -0.023 0.000 0.994 1118 V HN 0.683 nan 8.190 nan 0.000 0.431 1119 Y N 4.391 124.728 120.300 0.062 0.000 2.335 1119 Y HA 0.696 5.246 4.550 -0.001 0.000 0.323 1119 Y C 0.286 176.219 175.900 0.056 0.000 1.224 1119 Y CA -0.837 57.296 58.100 0.054 0.000 1.241 1119 Y CB 1.098 39.594 38.460 0.061 0.000 1.235 1119 Y HN 0.524 nan 8.280 nan 0.000 0.492 1120 L N 1.077 122.413 121.223 0.188 0.000 2.439 1120 L HA 0.226 4.565 4.340 -0.001 0.000 0.259 1120 L C 0.349 177.305 176.870 0.144 0.000 1.129 1120 L CA -0.803 54.126 54.840 0.148 0.000 0.803 1120 L CB 0.574 42.723 42.059 0.150 0.000 1.161 1120 L HN 0.629 nan 8.230 nan 0.000 0.462 1121 E N 2.346 122.622 120.200 0.126 0.000 2.481 1121 E HA -0.071 4.279 4.350 -0.001 0.000 0.263 1121 E C -1.610 175.012 176.600 0.037 0.000 0.992 1121 E CA -0.886 55.567 56.400 0.088 0.000 0.938 1121 E CB 0.734 30.508 29.700 0.122 0.000 0.933 1121 E HN 0.360 nan 8.360 nan 0.000 0.453 1122 P HA -0.247 nan 4.420 nan 0.000 0.220 1122 P C 0.887 178.142 177.300 -0.075 0.000 1.155 1122 P CA 2.049 65.134 63.100 -0.025 0.000 0.880 1122 P CB 0.097 31.777 31.700 -0.034 0.000 0.790 1123 G N -1.609 107.075 108.800 -0.193 0.000 2.395 1123 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.214 1123 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.214 1123 G C 0.687 175.411 174.900 -0.294 0.000 1.177 1123 G CA 0.323 45.231 45.100 -0.320 0.000 0.794 1123 G HN 0.359 nan 8.290 nan 0.000 0.532 1124 H N 0.851 119.951 119.070 0.050 0.000 2.672 1124 H HA 0.542 5.097 4.556 -0.001 0.000 0.262 1124 H C 1.228 176.612 175.328 0.093 0.000 1.577 1124 H CA 0.186 56.271 56.048 0.061 0.000 1.183 1124 H CB 0.113 29.899 29.762 0.042 0.000 1.546 1124 H HN 0.347 nan 8.280 nan 0.000 0.502 1125 A N 0.514 123.427 122.820 0.154 0.000 2.303 1125 A HA 0.418 4.737 4.320 -0.001 0.000 0.217 1125 A C 1.774 179.496 177.584 0.229 0.000 1.205 1125 A CA 0.459 52.603 52.037 0.179 0.000 0.875 1125 A CB 0.389 19.461 19.000 0.120 0.000 0.910 1125 A HN 0.409 nan 8.150 nan 0.000 0.501 1126 A N 0.088 123.040 122.820 0.220 0.000 2.701 1126 A HA 0.440 4.760 4.320 -0.001 0.000 0.297 1126 A C -0.794 177.003 177.584 0.355 0.000 1.197 1126 A CA -0.265 51.911 52.037 0.232 0.000 0.963 1126 A CB 0.085 19.145 19.000 0.100 0.000 1.175 1126 A HN 0.160 nan 8.150 nan 0.000 0.531 1127 D N 0.236 120.871 120.400 0.393 0.000 2.440 1127 D HA 0.205 4.845 4.640 -0.001 0.000 0.239 1127 D C 0.899 177.182 176.300 -0.029 0.000 1.084 1127 D CA -0.191 53.934 54.000 0.208 0.000 0.843 1127 D CB 1.783 42.652 40.800 0.115 0.000 1.097 1127 D HN 0.259 nan 8.370 nan 0.000 0.531 1128 Q N 2.133 121.867 119.800 -0.110 0.000 2.197 1128 Q HA -0.223 4.117 4.340 -0.001 0.000 0.207 1128 Q C 1.454 177.189 176.000 -0.441 0.000 0.984 1128 Q CA 1.706 57.145 55.803 -0.607 0.000 0.869 1128 Q CB 0.203 28.771 28.738 -0.283 0.000 0.906 1128 Q HN 0.580 nan 8.270 nan 0.000 0.426 1129 E N -1.224 118.846 120.200 -0.217 0.000 2.122 1129 E HA -0.138 4.212 4.350 -0.001 0.000 0.190 1129 E C 1.818 178.321 176.600 -0.161 0.000 0.977 1129 E CA 0.446 56.743 56.400 -0.172 0.000 0.820 1129 E CB 0.072 29.711 29.700 -0.102 0.000 0.770 1129 E HN 0.333 nan 8.360 nan 0.000 0.462 1130 Q N -0.044 119.683 119.800 -0.121 0.000 2.291 1130 Q HA -0.073 4.266 4.340 -0.001 0.000 0.205 1130 Q C 1.664 177.600 176.000 -0.106 0.000 0.970 1130 Q CA 1.018 56.766 55.803 -0.092 0.000 0.876 1130 Q CB 0.208 28.937 28.738 -0.015 0.000 0.935 1130 Q HN 0.311 nan 8.270 nan 0.000 0.455 1131 A N 0.702 123.409 122.820 -0.188 0.000 1.850 1131 A HA -0.106 4.213 4.320 -0.001 0.000 0.212 1131 A C 2.046 179.491 177.584 -0.231 0.000 1.208 1131 A CA 1.041 52.949 52.037 -0.215 0.000 0.609 1131 A CB -0.272 18.491 19.000 -0.395 0.000 0.860 1131 A HN 0.232 nan 8.150 nan 0.000 0.448 1132 K N -0.088 120.136 120.400 -0.293 0.000 2.059 1132 K HA -0.171 4.149 4.320 -0.001 0.000 0.212 1132 K C 1.889 178.379 176.600 -0.184 0.000 1.050 1132 K CA 1.679 57.812 56.287 -0.257 0.000 0.927 1132 K CB -0.561 31.788 32.500 -0.251 0.000 0.714 1132 K HN 0.461 nan 8.250 nan 0.000 0.447 1133 L N 0.704 121.836 121.223 -0.152 0.000 1.989 1133 L HA -0.230 4.109 4.340 -0.001 0.000 0.211 1133 L C 2.415 179.226 176.870 -0.099 0.000 1.071 1133 L CA 1.396 56.168 54.840 -0.114 0.000 0.749 1133 L CB -0.526 41.471 42.059 -0.103 0.000 0.890 1133 L HN 0.212 nan 8.230 nan 0.000 0.431 1134 I N -0.745 119.768 120.570 -0.095 0.000 2.361 1134 I HA -0.267 3.903 4.170 -0.001 0.000 0.251 1134 I C 2.843 178.913 176.117 -0.079 0.000 1.133 1134 I CA 0.872 62.130 61.300 -0.070 0.000 1.413 1134 I CB -0.410 37.561 38.000 -0.049 0.000 1.073 1134 I HN 0.317 nan 8.210 nan 0.000 0.424 1135 R N 1.511 121.940 120.500 -0.118 0.000 2.075 1135 R HA -0.191 4.149 4.340 -0.001 0.000 0.230 1135 R C 2.506 178.746 176.300 -0.100 0.000 1.140 1135 R CA 2.321 58.342 56.100 -0.131 0.000 0.928 1135 R CB -0.420 29.744 30.300 -0.227 0.000 0.834 1135 R HN 0.395 nan 8.270 nan 0.000 0.429 1136 S N -0.102 115.531 115.700 -0.113 0.000 2.469 1136 S HA -0.051 4.419 4.470 -0.001 0.000 0.238 1136 S C 1.902 176.469 174.600 -0.055 0.000 0.998 1136 S CA 0.942 59.097 58.200 -0.075 0.000 0.957 1136 S CB -0.062 63.090 63.200 -0.080 0.000 0.764 1136 S HN 0.502 nan 8.310 nan 0.000 0.514 1137 A N 0.703 123.490 122.820 -0.055 0.000 2.178 1137 A HA 0.446 4.766 4.320 -0.001 0.000 0.211 1137 A C 1.954 179.525 177.584 -0.023 0.000 1.157 1137 A CA 0.422 52.435 52.037 -0.041 0.000 0.780 1137 A CB -0.339 18.637 19.000 -0.041 0.000 0.828 1137 A HN 0.602 nan 8.150 nan 0.000 0.476 1138 I N -1.241 119.318 120.570 -0.018 0.000 3.300 1138 I HA 0.047 4.217 4.170 -0.001 0.000 0.279 1138 I C 0.938 177.071 176.117 0.026 0.000 1.172 1138 I CA -0.013 61.289 61.300 0.003 0.000 1.431 1138 I CB 0.095 38.094 38.000 -0.002 0.000 1.240 1138 I HN 0.297 nan 8.210 nan 0.000 0.453 1139 E N 2.388 122.602 120.200 0.023 0.000 2.498 1139 E HA -0.143 4.207 4.350 -0.001 0.000 0.252 1139 E C -0.021 176.617 176.600 0.064 0.000 1.025 1139 E CA -0.032 56.403 56.400 0.059 0.000 0.938 1139 E CB 0.207 29.953 29.700 0.077 0.000 0.947 1139 E HN 0.161 nan 8.360 nan 0.000 0.478 1140 H N 3.234 122.304 119.070 0.000 0.000 3.034 1140 H HA 0.059 4.615 4.556 -0.001 0.000 0.324 1140 H C -1.007 174.317 175.328 -0.007 0.000 1.015 1140 H CA 0.766 56.810 56.048 -0.008 0.000 1.429 1140 H CB 0.624 30.381 29.762 -0.010 0.000 1.429 1140 H HN 0.324 nan 8.280 nan 0.000 0.585 1141 T N 5.173 119.400 114.554 -0.545 0.000 2.928 1141 T HA 0.352 4.701 4.350 -0.001 0.000 0.296 1141 T C -0.627 173.825 174.700 -0.414 0.000 1.000 1141 T CA -0.672 61.219 62.100 -0.348 0.000 0.989 1141 T CB 1.099 69.863 68.868 -0.174 0.000 1.005 1141 T HN 0.763 nan 8.240 nan 0.000 0.442 1142 T N 0.673 115.089 114.554 -0.231 0.000 2.942 1142 T HA 0.530 4.879 4.350 -0.001 0.000 0.289 1142 T C 1.117 175.772 174.700 -0.074 0.000 1.044 1142 T CA -0.896 61.124 62.100 -0.133 0.000 1.023 1142 T CB 1.153 70.005 68.868 -0.026 0.000 1.123 1142 T HN 0.193 nan 8.240 nan 0.000 0.512 1143 L N 0.945 122.140 121.223 -0.046 0.000 2.127 1143 L HA 0.032 4.372 4.340 -0.001 0.000 0.211 1143 L C 2.582 179.445 176.870 -0.012 0.000 1.089 1143 L CA 1.832 56.655 54.840 -0.028 0.000 0.757 1143 L CB -1.083 40.974 42.059 -0.005 0.000 0.899 1143 L HN 0.933 nan 8.230 nan 0.000 0.434 1144 K N -0.648 119.751 120.400 -0.001 0.000 2.074 1144 K HA -0.211 4.109 4.320 -0.001 0.000 0.209 1144 K C 1.982 178.580 176.600 -0.002 0.000 1.048 1144 K CA 1.833 58.123 56.287 0.006 0.000 0.926 1144 K CB -0.226 32.283 32.500 0.016 0.000 0.713 1144 K HN 0.553 nan 8.250 nan 0.000 0.444 1145 S N -0.637 115.056 115.700 -0.012 0.000 2.547 1145 S HA -0.029 4.440 4.470 -0.001 0.000 0.235 1145 S C 1.541 176.129 174.600 -0.020 0.000 0.980 1145 S CA 0.853 59.043 58.200 -0.017 0.000 0.941 1145 S CB 0.400 63.585 63.200 -0.024 0.000 0.763 1145 S HN 0.171 nan 8.310 nan 0.000 0.532 1146 V N 0.346 120.248 119.914 -0.020 0.000 3.484 1146 V HA 0.147 4.267 4.120 -0.001 0.000 0.252 1146 V C 0.872 176.961 176.094 -0.009 0.000 1.282 1146 V CA 0.543 62.831 62.300 -0.020 0.000 1.104 1146 V CB -0.183 31.621 31.823 -0.033 0.000 0.868 1146 V HN 0.389 nan 8.190 nan 0.000 0.457 1147 T N 1.211 115.764 114.554 -0.002 0.000 2.901 1147 T HA 0.321 4.670 4.350 -0.001 0.000 0.301 1147 T C 1.184 175.891 174.700 0.012 0.000 1.012 1147 T CA 0.360 62.466 62.100 0.009 0.000 1.135 1147 T CB 1.429 70.307 68.868 0.016 0.000 0.936 1147 T HN 0.096 nan 8.240 nan 0.000 0.539 1148 I N 1.497 122.078 120.570 0.018 0.000 2.494 1148 I HA 0.291 4.461 4.170 -0.001 0.000 0.250 1148 I C 1.149 177.280 176.117 0.023 0.000 1.112 1148 I CA 0.348 61.659 61.300 0.018 0.000 1.438 1148 I CB 0.116 38.129 38.000 0.021 0.000 1.111 1148 I HN 0.641 nan 8.210 nan 0.000 0.431 1149 A N 0.024 122.863 122.820 0.031 0.000 2.594 1149 A HA 0.593 4.913 4.320 -0.001 0.000 0.296 1149 A C -0.826 176.785 177.584 0.045 0.000 1.056 1149 A CA -0.516 51.541 52.037 0.034 0.000 0.693 1149 A CB 1.002 20.023 19.000 0.035 0.000 1.278 1149 A HN 0.079 nan 8.150 nan 0.000 0.408 1150 S N 1.021 116.744 115.700 0.039 0.000 2.472 1150 S HA 0.843 5.313 4.470 -0.001 0.000 0.303 1150 S C -0.659 173.963 174.600 0.036 0.000 1.099 1150 S CA -0.617 57.612 58.200 0.048 0.000 1.077 1150 S CB 1.632 64.856 63.200 0.039 0.000 1.031 1150 S HN 0.690 nan 8.310 nan 0.000 0.487 1151 E N 1.224 121.458 120.200 0.058 0.000 2.343 1151 E HA 0.547 4.897 4.350 -0.001 0.000 0.270 1151 E C -1.186 175.416 176.600 0.003 0.000 0.895 1151 E CA -0.774 55.619 56.400 -0.012 0.000 0.767 1151 E CB 2.206 31.892 29.700 -0.025 0.000 1.248 1151 E HN 0.589 nan 8.360 nan 0.000 0.440 1152 I N 2.360 122.862 120.570 -0.113 0.000 2.406 1152 I HA 0.375 4.544 4.170 -0.001 0.000 0.290 1152 I C -1.155 174.926 176.117 -0.059 0.000 0.999 1152 I CA -0.591 60.719 61.300 0.016 0.000 1.124 1152 I CB 0.752 38.772 38.000 0.034 0.000 1.289 1152 I HN 0.442 nan 8.210 nan 0.000 0.441 1153 Y N 4.318 124.742 120.300 0.206 0.000 2.598 1153 Y HA 0.337 4.887 4.550 -0.001 0.000 0.340 1153 Y C -0.675 175.357 175.900 0.220 0.000 1.038 1153 Y CA -0.765 57.453 58.100 0.196 0.000 1.100 1153 Y CB 1.583 40.096 38.460 0.089 0.000 1.281 1153 Y HN 0.370 nan 8.280 nan 0.000 0.488 1154 Y N 1.903 122.299 120.300 0.159 0.000 2.700 1154 Y HA 0.386 4.936 4.550 -0.001 0.000 0.333 1154 Y C -1.080 174.727 175.900 -0.155 0.000 1.036 1154 Y CA -1.202 56.733 58.100 -0.276 0.000 1.287 1154 Y CB 0.331 38.550 38.460 -0.402 0.000 1.132 1154 Y HN 0.564 nan 8.280 nan 0.000 0.510 1155 D N 8.331 128.417 120.400 -0.524 0.000 2.432 1155 D HA 0.298 4.938 4.640 -0.001 0.000 0.265 1155 D C -1.777 174.196 176.300 -0.545 0.000 1.160 1155 D CA -2.126 51.629 54.000 -0.410 0.000 0.911 1155 D CB 1.366 42.054 40.800 -0.187 0.000 1.052 1155 D HN 0.293 nan 8.370 nan 0.000 0.508 1156 P HA -0.128 nan 4.420 nan 0.000 0.216 1156 P C 0.160 177.289 177.300 -0.285 0.000 1.153 1156 P CA 0.740 63.495 63.100 -0.575 0.000 0.848 1156 P CB 0.310 31.683 31.700 -0.546 0.000 0.787 1157 D N 1.113 121.386 120.400 -0.211 0.000 2.365 1157 D HA 0.100 4.740 4.640 -0.001 0.000 0.237 1157 D C -1.233 175.009 176.300 -0.096 0.000 1.190 1157 D CA -2.533 51.391 54.000 -0.126 0.000 0.867 1157 D CB 0.618 41.362 40.800 -0.093 0.000 1.050 1157 D HN 0.057 nan 8.370 nan 0.000 0.491 1158 P HA -0.160 nan 4.420 nan 0.000 0.226 1158 P C 0.804 178.122 177.300 0.032 0.000 1.146 1158 P CA 0.867 63.943 63.100 -0.041 0.000 0.773 1158 P CB 0.518 32.168 31.700 -0.083 0.000 0.772 1159 R N 0.307 120.822 120.500 0.024 0.000 2.024 1159 R HA 0.089 4.428 4.340 -0.001 0.000 0.216 1159 R C 1.484 177.787 176.300 0.006 0.000 1.259 1159 R CA 0.622 56.754 56.100 0.053 0.000 1.001 1159 R CB -0.726 29.575 30.300 0.001 0.000 0.881 1159 R HN 0.206 nan 8.270 nan 0.000 0.459 1160 S N 0.541 116.221 115.700 -0.034 0.000 2.608 1160 S HA 0.233 4.702 4.470 -0.001 0.000 0.261 1160 S C -0.100 174.468 174.600 -0.053 0.000 1.314 1160 S CA -0.350 57.823 58.200 -0.045 0.000 0.992 1160 S CB 1.635 64.803 63.200 -0.054 0.000 0.935 1160 S HN 0.144 nan 8.310 nan 0.000 0.564 1161 T N 0.821 115.339 114.554 -0.059 0.000 2.952 1161 T HA 0.326 4.675 4.350 -0.001 0.000 0.305 1161 T C 1.022 175.669 174.700 -0.089 0.000 1.064 1161 T CA -0.748 61.302 62.100 -0.082 0.000 1.008 1161 T CB 1.629 70.449 68.868 -0.080 0.000 1.078 1161 T HN 0.411 nan 8.240 nan 0.000 0.459 1162 V N 2.389 122.240 119.914 -0.104 0.000 2.568 1162 V HA -0.056 4.064 4.120 -0.001 0.000 0.253 1162 V C 1.055 177.084 176.094 -0.107 0.000 1.072 1162 V CA 1.432 63.683 62.300 -0.082 0.000 1.084 1162 V CB -0.565 31.225 31.823 -0.055 0.000 0.676 1162 V HN 0.718 nan 8.190 nan 0.000 0.469 1163 I N 2.776 123.241 120.570 -0.175 0.000 2.322 1163 I HA 0.117 4.287 4.170 -0.001 0.000 0.292 1163 I C -0.606 175.447 176.117 -0.106 0.000 1.060 1163 I CA -1.457 59.729 61.300 -0.191 0.000 1.309 1163 I CB 1.165 38.978 38.000 -0.312 0.000 1.415 1163 I HN 0.096 nan 8.210 nan 0.000 0.492 1164 P HA -0.205 nan 4.420 nan 0.000 0.214 1164 P C 0.935 178.213 177.300 -0.036 0.000 1.163 1164 P CA 1.581 64.655 63.100 -0.043 0.000 0.883 1164 P CB 0.217 31.900 31.700 -0.029 0.000 0.788 1165 E N -0.179 120.000 120.200 -0.035 0.000 2.331 1165 E HA -0.165 4.185 4.350 -0.001 0.000 0.199 1165 E C 0.666 177.254 176.600 -0.019 0.000 1.008 1165 E CA 1.053 57.440 56.400 -0.021 0.000 0.843 1165 E CB -0.617 29.075 29.700 -0.015 0.000 0.761 1165 E HN 0.360 nan 8.360 nan 0.000 0.507 1166 D N -0.021 120.358 120.400 -0.035 0.000 2.358 1166 D HA 0.022 4.662 4.640 -0.001 0.000 0.224 1166 D C 0.886 177.182 176.300 -0.008 0.000 1.123 1166 D CA 0.133 54.119 54.000 -0.023 0.000 0.833 1166 D CB 0.278 41.049 40.800 -0.049 0.000 0.946 1166 D HN 0.201 nan 8.370 nan 0.000 0.505 1167 E N 0.203 120.397 120.200 -0.010 0.000 2.102 1167 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 1167 E C 1.503 178.110 176.600 0.011 0.000 0.971 1167 E CA 0.336 56.734 56.400 -0.004 0.000 0.821 1167 E CB 0.125 29.814 29.700 -0.017 0.000 0.777 1167 E HN 0.328 nan 8.360 nan 0.000 0.460 1168 E N 1.060 121.264 120.200 0.006 0.000 2.265 1168 E HA -0.144 4.206 4.350 -0.001 0.000 0.196 1168 E C 1.989 178.600 176.600 0.019 0.000 0.996 1168 E CA 0.372 56.776 56.400 0.007 0.000 0.832 1168 E CB 0.060 29.761 29.700 0.001 0.000 0.756 1168 E HN 0.233 nan 8.360 nan 0.000 0.491 1169 I N -0.063 120.529 120.570 0.036 0.000 2.584 1169 I HA -0.121 4.049 4.170 -0.001 0.000 0.255 1169 I C 1.717 177.923 176.117 0.148 0.000 1.145 1169 I CA 0.652 61.990 61.300 0.063 0.000 1.462 1169 I CB 0.197 38.236 38.000 0.064 0.000 1.102 1169 I HN 0.116 nan 8.210 nan 0.000 0.433 1170 I N 0.204 120.859 120.570 0.142 0.000 2.703 1170 I HA -0.141 4.029 4.170 -0.001 0.000 0.259 1170 I C 2.281 178.571 176.117 0.287 0.000 1.151 1170 I CA 0.501 61.939 61.300 0.230 0.000 1.470 1170 I CB -0.339 37.765 38.000 0.173 0.000 1.112 1170 I HN 0.253 nan 8.210 nan 0.000 0.437 1171 Q N 0.951 120.838 119.800 0.145 0.000 2.124 1171 Q HA -0.123 4.217 4.340 -0.001 0.000 0.202 1171 Q C 2.035 178.121 176.000 0.143 0.000 0.977 1171 Q CA 1.277 57.138 55.803 0.096 0.000 0.850 1171 Q CB -0.026 28.720 28.738 0.013 0.000 0.901 1171 Q HN 0.512 nan 8.270 nan 0.000 0.429 1172 L N 0.266 121.532 121.223 0.072 0.000 2.650 1172 L HA -0.040 4.300 4.340 -0.001 0.000 0.235 1172 L C 0.760 177.549 176.870 -0.135 0.000 1.149 1172 L CA 0.147 54.966 54.840 -0.036 0.000 0.887 1172 L CB 0.045 42.030 42.059 -0.124 0.000 1.021 1172 L HN 0.246 nan 8.230 nan 0.000 0.441 1173 H N -0.972 118.167 119.070 0.115 0.000 2.507 1173 H HA 0.216 4.771 4.556 -0.001 0.000 0.281 1173 H C -0.467 174.749 175.328 -0.186 0.000 1.160 1173 H CA 0.015 56.035 56.048 -0.045 0.000 0.981 1173 H CB 0.296 29.980 29.762 -0.129 0.000 1.665 1173 H HN 0.166 nan 8.280 nan 0.000 0.554 1174 F N 0.086 120.055 119.950 0.032 0.000 2.739 1174 F HA 0.096 4.622 4.527 -0.001 0.000 0.366 1174 F C 0.661 176.459 175.800 -0.003 0.000 1.279 1174 F CA -0.407 57.606 58.000 0.022 0.000 1.151 1174 F CB 0.555 39.563 39.000 0.014 0.000 1.132 1174 F HN 0.022 nan 8.300 nan 0.000 0.511 1175 S N -1.057 114.695 115.700 0.087 0.000 2.841 1175 S HA 0.703 5.172 4.470 -0.001 0.000 0.318 1175 S C -0.413 174.192 174.600 0.009 0.000 1.127 1175 S CA -0.846 57.380 58.200 0.044 0.000 0.883 1175 S CB 1.598 64.810 63.200 0.019 0.000 1.271 1175 S HN 0.177 nan 8.310 nan 0.000 0.567 1188 Q N 2.563 122.283 119.800 -0.134 0.000 2.288 1188 Q HA 0.441 4.781 4.340 -0.001 0.000 0.258 1188 Q C -0.580 175.386 176.000 -0.056 0.000 0.957 1188 Q CA 0.018 55.744 55.803 -0.128 0.000 0.919 1188 Q CB 1.570 30.147 28.738 -0.268 0.000 1.185 1188 Q HN 0.430 nan 8.270 nan 0.000 0.408 1189 S N 2.720 118.429 115.700 0.015 0.000 2.579 1189 S HA 0.165 4.634 4.470 -0.001 0.000 0.275 1189 S C -1.602 172.991 174.600 -0.011 0.000 1.345 1189 S CA -1.118 57.125 58.200 0.072 0.000 1.031 1189 S CB 0.681 64.005 63.200 0.207 0.000 0.892 1189 S HN 0.514 nan 8.310 nan 0.000 0.529 1190 P HA 0.037 nan 4.420 nan 0.000 0.233 1190 P C -0.463 176.528 177.300 -0.516 0.000 1.167 1190 P CA 0.409 63.263 63.100 -0.410 0.000 0.770 1190 P CB -0.058 31.322 31.700 -0.534 0.000 0.837 1191 W N 0.847 122.147 121.300 0.000 0.000 2.272 1191 W HA 0.435 5.094 4.660 -0.001 0.000 0.318 1191 W C 0.325 176.868 176.519 0.040 0.000 1.255 1191 W CA -0.640 56.734 57.345 0.049 0.000 1.200 1191 W CB 0.375 29.881 29.460 0.077 0.000 1.170 1191 W HN -0.171 nan 8.180 nan 0.000 0.549 1192 L N 4.722 126.117 121.223 0.287 0.000 2.346 1192 L HA 0.656 4.996 4.340 -0.001 0.000 0.274 1192 L C -1.397 175.617 176.870 0.240 0.000 1.007 1192 L CA -1.062 53.908 54.840 0.216 0.000 0.818 1192 L CB 1.423 43.584 42.059 0.170 0.000 1.284 1192 L HN 0.348 nan 8.230 nan 0.000 0.424 1193 L N 4.889 126.213 121.223 0.169 0.000 2.316 1193 L HA 0.609 4.948 4.340 -0.001 0.000 0.280 1193 L C -0.810 176.143 176.870 0.138 0.000 1.006 1193 L CA -0.180 54.740 54.840 0.133 0.000 0.836 1193 L CB 1.047 43.147 42.059 0.068 0.000 1.221 1193 L HN 0.762 nan 8.230 nan 0.000 0.418 1194 R N 5.192 125.800 120.500 0.179 0.000 2.387 1194 R HA 0.740 5.080 4.340 -0.001 0.000 0.314 1194 R C -1.706 174.671 176.300 0.129 0.000 0.958 1194 R CA -0.563 55.635 56.100 0.163 0.000 0.846 1194 R CB 1.043 31.480 30.300 0.230 0.000 1.147 1194 R HN 0.741 nan 8.270 nan 0.000 0.447 1195 L N 3.416 124.699 121.223 0.099 0.000 2.341 1195 L HA 0.438 4.778 4.340 -0.001 0.000 0.278 1195 L C -0.334 176.580 176.870 0.073 0.000 1.005 1195 L CA -0.640 54.247 54.840 0.079 0.000 0.818 1195 L CB 1.975 44.074 42.059 0.066 0.000 1.259 1195 L HN 0.670 nan 8.230 nan 0.000 0.418 1196 E N 4.550 124.788 120.200 0.064 0.000 2.070 1196 E HA 0.380 4.730 4.350 -0.001 0.000 0.261 1196 E C -0.821 175.802 176.600 0.037 0.000 0.926 1196 E CA -0.512 55.921 56.400 0.054 0.000 0.760 1196 E CB 0.942 30.676 29.700 0.056 0.000 1.133 1196 E HN 0.525 nan 8.360 nan 0.000 0.420 1197 L N 2.612 123.854 121.223 0.031 0.000 2.476 1197 L HA 0.212 4.552 4.340 -0.001 0.000 0.255 1197 L C 0.343 177.220 176.870 0.012 0.000 1.218 1197 L CA -0.096 54.753 54.840 0.015 0.000 0.819 1197 L CB 0.447 42.508 42.059 0.003 0.000 1.119 1197 L HN 0.556 nan 8.230 nan 0.000 0.485 1198 D N -0.587 119.814 120.400 0.003 0.000 2.381 1198 D HA 0.188 4.828 4.640 -0.001 0.000 0.235 1198 D C 0.838 177.136 176.300 -0.004 0.000 1.068 1198 D CA -0.498 53.503 54.000 0.002 0.000 0.832 1198 D CB 1.162 41.962 40.800 0.000 0.000 1.101 1198 D HN 0.321 nan 8.370 nan 0.000 0.515 1199 R N 3.225 123.724 120.500 -0.001 0.000 2.105 1199 R HA -0.198 4.141 4.340 -0.001 0.000 0.239 1199 R C 1.743 178.039 176.300 -0.007 0.000 1.135 1199 R CA 1.655 57.753 56.100 -0.004 0.000 0.967 1199 R CB -0.135 30.165 30.300 0.000 0.000 0.861 1199 R HN 0.588 nan 8.270 nan 0.000 0.442 1200 A N 0.605 123.422 122.820 -0.005 0.000 1.873 1200 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 1200 A C 2.323 179.904 177.584 -0.006 0.000 1.193 1200 A CA 2.075 54.109 52.037 -0.005 0.000 0.629 1200 A CB -0.876 18.122 19.000 -0.003 0.000 0.826 1200 A HN 0.536 nan 8.150 nan 0.000 0.447 1201 A N -1.792 121.023 122.820 -0.009 0.000 1.970 1201 A HA 0.043 4.363 4.320 -0.001 0.000 0.216 1201 A C 2.127 179.700 177.584 -0.018 0.000 1.170 1201 A CA 1.600 53.630 52.037 -0.011 0.000 0.645 1201 A CB -0.427 18.564 19.000 -0.015 0.000 0.816 1201 A HN 0.405 nan 8.150 nan 0.000 0.447 1202 M N 1.283 120.870 119.600 -0.022 0.000 2.106 1202 M HA -0.197 4.283 4.480 -0.001 0.000 0.259 1202 M C 1.673 177.953 176.300 -0.033 0.000 1.068 1202 M CA 2.183 57.464 55.300 -0.032 0.000 1.100 1202 M CB -1.414 31.169 32.600 -0.029 0.000 1.351 1202 M HN 0.778 nan 8.290 nan 0.000 0.404 1203 N N -0.976 117.709 118.700 -0.024 0.000 2.409 1203 N HA -0.100 4.640 4.740 -0.001 0.000 0.174 1203 N C 1.263 176.758 175.510 -0.025 0.000 1.037 1203 N CA 0.907 53.941 53.050 -0.026 0.000 0.898 1203 N CB -0.821 37.653 38.487 -0.021 0.000 1.010 1203 N HN 0.382 nan 8.380 nan 0.000 0.445 1204 D N 0.769 121.160 120.400 -0.014 0.000 2.219 1204 D HA -0.119 4.521 4.640 -0.001 0.000 0.205 1204 D C 0.211 176.509 176.300 -0.003 0.000 0.970 1204 D CA 0.848 54.847 54.000 -0.003 0.000 0.851 1204 D CB 0.131 40.943 40.800 0.019 0.000 0.943 1204 D HN 0.325 nan 8.370 nan 0.000 0.488 1205 K N 0.902 121.294 120.400 -0.013 0.000 2.593 1205 K HA 0.077 4.397 4.320 -0.001 0.000 0.208 1205 K C -0.605 175.969 176.600 -0.043 0.000 1.051 1205 K CA -0.339 55.936 56.287 -0.020 0.000 1.111 1205 K CB 0.868 33.359 32.500 -0.016 0.000 0.849 1205 K HN -0.032 nan 8.250 nan 0.000 0.479 1206 D N 1.907 122.279 120.400 -0.047 0.000 2.890 1206 D HA -0.214 4.426 4.640 -0.001 0.000 0.226 1206 D C -0.790 175.475 176.300 -0.059 0.000 1.207 1206 D CA 1.111 55.079 54.000 -0.054 0.000 0.764 1206 D CB -0.527 40.237 40.800 -0.060 0.000 0.948 1206 D HN 0.318 nan 8.370 nan 0.000 0.404 1207 L N 0.857 122.045 121.223 -0.059 0.000 2.410 1207 L HA 0.317 4.656 4.340 -0.001 0.000 0.270 1207 L C 0.501 177.325 176.870 -0.077 0.000 0.983 1207 L CA -0.527 54.269 54.840 -0.074 0.000 0.822 1207 L CB 2.243 44.254 42.059 -0.080 0.000 1.285 1207 L HN -0.110 nan 8.230 nan 0.000 0.409 1208 T N 2.627 117.125 114.554 -0.093 0.000 2.902 1208 T HA 0.267 4.617 4.350 -0.001 0.000 0.283 1208 T C 1.230 175.836 174.700 -0.157 0.000 1.009 1208 T CA -0.727 61.317 62.100 -0.093 0.000 1.051 1208 T CB 1.751 70.574 68.868 -0.075 0.000 0.999 1208 T HN 0.432 nan 8.240 nan 0.000 0.474 1209 M N 1.884 121.397 119.600 -0.146 0.000 2.080 1209 M HA -0.052 4.427 4.480 -0.001 0.000 0.260 1209 M C 2.585 178.532 176.300 -0.589 0.000 1.068 1209 M CA 1.761 56.899 55.300 -0.270 0.000 1.109 1209 M CB -1.746 30.808 32.600 -0.077 0.000 1.342 1209 M HN 0.890 nan 8.290 nan 0.000 0.405 1210 G N -0.373 108.235 108.800 -0.320 0.000 2.442 1210 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.219 1210 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.219 1210 G C 1.513 176.180 174.900 -0.389 0.000 1.141 1210 G CA 0.586 45.512 45.100 -0.290 0.000 0.763 1210 G HN 0.548 nan 8.290 nan 0.000 0.554 1211 Q N -0.179 119.460 119.800 -0.268 0.000 1.993 1211 Q HA -0.073 4.267 4.340 -0.001 0.000 0.202 1211 Q C 2.886 178.712 176.000 -0.291 0.000 0.984 1211 Q CA 1.511 57.185 55.803 -0.215 0.000 0.837 1211 Q CB -0.470 28.180 28.738 -0.147 0.000 0.902 1211 Q HN 0.351 nan 8.270 nan 0.000 0.423 1212 V N 0.960 120.675 119.914 -0.331 0.000 2.252 1212 V HA -0.281 3.839 4.120 -0.001 0.000 0.249 1212 V C 2.287 178.119 176.094 -0.436 0.000 1.056 1212 V CA 2.176 64.286 62.300 -0.316 0.000 1.022 1212 V CB -1.378 30.278 31.823 -0.279 0.000 0.641 1212 V HN 0.595 nan 8.190 nan 0.000 0.445 1213 G N -0.810 107.466 108.800 -0.873 0.000 2.459 1213 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.217 1213 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.217 1213 G C 1.451 175.948 174.900 -0.671 0.000 1.183 1213 G CA 0.690 45.017 45.100 -1.287 0.000 0.776 1213 G HN 0.493 nan 8.290 nan 0.000 0.552 1214 E N 0.080 119.957 120.200 -0.539 0.000 2.333 1214 E HA -0.098 4.251 4.350 -0.001 0.000 0.198 1214 E C 2.544 179.101 176.600 -0.071 0.000 1.007 1214 E CA 0.559 56.903 56.400 -0.094 0.000 0.845 1214 E CB 0.050 29.735 29.700 -0.026 0.000 0.766 1214 E HN 0.293 nan 8.360 nan 0.000 0.507 1215 R N 0.975 121.394 120.500 -0.135 0.000 2.066 1215 R HA 0.032 4.372 4.340 -0.001 0.000 0.224 1215 R C 2.206 178.474 176.300 -0.052 0.000 1.122 1215 R CA 0.824 56.870 56.100 -0.089 0.000 0.974 1215 R CB -0.494 29.738 30.300 -0.113 0.000 0.871 1215 R HN 0.084 nan 8.270 nan 0.000 0.435 1216 I N 0.631 121.180 120.570 -0.036 0.000 2.226 1216 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 1216 I C 2.282 178.491 176.117 0.153 0.000 1.100 1216 I CA 1.493 62.839 61.300 0.076 0.000 1.374 1216 I CB -0.308 37.766 38.000 0.123 0.000 1.057 1216 I HN 0.181 nan 8.210 nan 0.000 0.413 1217 K N 1.340 121.818 120.400 0.130 0.000 2.057 1217 K HA -0.213 4.107 4.320 -0.001 0.000 0.207 1217 K C 2.008 178.673 176.600 0.109 0.000 1.049 1217 K CA 1.393 57.778 56.287 0.164 0.000 0.931 1217 K CB -0.055 32.562 32.500 0.196 0.000 0.714 1217 K HN 0.472 nan 8.250 nan 0.000 0.440 1218 Q N -1.044 118.786 119.800 0.050 0.000 2.373 1218 Q HA 0.033 4.372 4.340 -0.001 0.000 0.206 1218 Q C 0.296 176.279 176.000 -0.028 0.000 0.942 1218 Q CA 0.808 56.621 55.803 0.017 0.000 0.953 1218 Q CB 0.661 29.399 28.738 0.001 0.000 1.022 1218 Q HN 0.087 nan 8.270 nan 0.000 0.502 1219 T N -0.761 113.758 114.554 -0.058 0.000 3.026 1219 T HA 0.184 4.533 4.350 -0.001 0.000 0.245 1219 T C 0.558 175.067 174.700 -0.318 0.000 1.004 1219 T CA 0.071 62.036 62.100 -0.224 0.000 1.069 1219 T CB 0.028 68.679 68.868 -0.361 0.000 1.005 1219 T HN 0.288 nan 8.240 nan 0.000 0.472 1220 F N 1.621 121.589 119.950 0.029 0.000 2.695 1220 F HA 0.394 4.921 4.527 -0.001 0.000 0.303 1220 F C 0.889 176.714 175.800 0.041 0.000 1.091 1220 F CA -0.507 57.515 58.000 0.036 0.000 1.300 1220 F CB -0.080 38.947 39.000 0.045 0.000 1.071 1220 F HN -0.041 nan 8.300 nan 0.000 0.578 1221 K N 0.046 120.542 120.400 0.159 0.000 1.705 1221 K HA -0.286 4.034 4.320 -0.001 0.000 0.508 1221 K C 0.656 177.338 176.600 0.137 0.000 1.840 1221 K CA 1.198 57.556 56.287 0.118 0.000 0.816 1221 K CB -1.021 31.536 32.500 0.095 0.000 1.348 1221 K HN 0.180 nan 8.250 nan 0.000 0.681 1222 N N 1.430 120.195 118.700 0.109 0.000 2.409 1222 N HA -0.103 4.636 4.740 -0.001 0.000 0.179 1222 N C 0.601 176.180 175.510 0.116 0.000 1.032 1222 N CA 1.222 54.335 53.050 0.105 0.000 0.898 1222 N CB -0.223 38.310 38.487 0.076 0.000 0.971 1222 N HN 0.332 nan 8.380 nan 0.000 0.441 1223 D N 0.950 121.424 120.400 0.123 0.000 2.239 1223 D HA -0.111 4.529 4.640 -0.001 0.000 0.202 1223 D C 0.452 176.814 176.300 0.102 0.000 0.993 1223 D CA 0.868 54.938 54.000 0.117 0.000 0.874 1223 D CB 0.100 40.990 40.800 0.150 0.000 0.922 1223 D HN 0.233 nan 8.370 nan 0.000 0.464 1224 L N -0.677 120.623 121.223 0.128 0.000 2.381 1224 L HA 0.407 4.747 4.340 -0.001 0.000 0.268 1224 L C -1.458 175.508 176.870 0.160 0.000 0.997 1224 L CA -0.957 53.932 54.840 0.083 0.000 0.818 1224 L CB 2.046 44.078 42.059 -0.045 0.000 1.310 1224 L HN -0.267 nan 8.230 nan 0.000 0.416 1225 F N 5.422 125.364 119.950 -0.014 0.000 2.385 1225 F HA 0.703 5.230 4.527 -0.001 0.000 0.360 1225 F C -0.949 174.840 175.800 -0.018 0.000 1.122 1225 F CA -0.526 57.459 58.000 -0.025 0.000 1.090 1225 F CB 0.998 39.968 39.000 -0.050 0.000 1.150 1225 F HN 0.188 nan 8.300 nan 0.000 0.472 1226 V N 7.615 127.235 119.914 -0.489 0.000 2.604 1226 V HA 0.581 4.701 4.120 -0.001 0.000 0.305 1226 V C -0.226 175.501 176.094 -0.613 0.000 1.043 1226 V CA -0.883 61.212 62.300 -0.343 0.000 0.888 1226 V CB 1.922 33.786 31.823 0.068 0.000 0.995 1226 V HN 0.657 nan 8.190 nan 0.000 0.429 1227 I N 3.394 123.685 120.570 -0.465 0.000 2.827 1227 I HA 0.617 4.787 4.170 -0.001 0.000 0.298 1227 I C -1.446 174.560 176.117 -0.184 0.000 1.235 1227 I CA -0.406 60.494 61.300 -0.667 0.000 1.021 1227 I CB 2.574 40.114 38.000 -0.767 0.000 1.259 1227 I HN 0.909 nan 8.210 nan 0.000 0.427 1228 W N 3.295 124.578 121.300 -0.028 0.000 3.062 1228 W HA 0.741 5.400 4.660 -0.001 0.000 0.336 1228 W C -0.749 175.806 176.519 0.060 0.000 1.224 1228 W CA -1.230 56.122 57.345 0.011 0.000 1.159 1228 W CB 0.425 29.883 29.460 -0.003 0.000 1.454 1228 W HN 0.472 nan 8.180 nan 0.000 0.569 1229 S N 0.266 116.138 115.700 0.287 0.000 2.565 1229 S HA 0.345 4.815 4.470 -0.001 0.000 0.274 1229 S C -0.134 174.613 174.600 0.244 0.000 1.309 1229 S CA -0.597 57.710 58.200 0.179 0.000 1.043 1229 S CB 0.953 64.224 63.200 0.117 0.000 0.939 1229 S HN 0.580 nan 8.310 nan 0.000 0.504 1230 E N 1.167 121.457 120.200 0.150 0.000 2.404 1230 E HA 0.039 4.389 4.350 -0.001 0.000 0.261 1230 E C 0.405 177.065 176.600 0.101 0.000 1.074 1230 E CA -0.335 56.150 56.400 0.143 0.000 0.917 1230 E CB 0.387 30.127 29.700 0.066 0.000 0.965 1230 E HN 0.657 nan 8.360 nan 0.000 0.433 1231 D N 1.697 122.148 120.400 0.084 0.000 2.271 1231 D HA -0.184 4.455 4.640 -0.001 0.000 0.207 1231 D C 1.115 177.434 176.300 0.032 0.000 0.983 1231 D CA 0.916 54.944 54.000 0.046 0.000 0.878 1231 D CB 0.085 40.903 40.800 0.029 0.000 0.920 1231 D HN 0.318 nan 8.370 nan 0.000 0.479 1232 N N 0.942 119.661 118.700 0.031 0.000 2.216 1232 N HA -0.078 4.661 4.740 -0.001 0.000 0.183 1232 N C -0.019 175.503 175.510 0.019 0.000 1.017 1232 N CA 0.510 53.572 53.050 0.020 0.000 0.861 1232 N CB 0.055 38.550 38.487 0.014 0.000 0.986 1232 N HN 0.151 nan 8.380 nan 0.000 0.428 1233 D N 0.901 121.317 120.400 0.026 0.000 2.419 1233 D HA -0.077 4.563 4.640 -0.001 0.000 0.236 1233 D C 1.301 177.614 176.300 0.023 0.000 1.165 1233 D CA 0.205 54.219 54.000 0.024 0.000 0.882 1233 D CB 0.451 41.270 40.800 0.031 0.000 1.201 1233 D HN 0.440 nan 8.370 nan 0.000 0.443 1234 E N 0.691 120.902 120.200 0.018 0.000 2.268 1234 E HA -0.110 4.240 4.350 -0.001 0.000 0.195 1234 E C -0.003 176.609 176.600 0.020 0.000 0.995 1234 E CA 0.818 57.227 56.400 0.016 0.000 0.836 1234 E CB 0.131 29.839 29.700 0.012 0.000 0.763 1234 E HN 0.263 nan 8.360 nan 0.000 0.491 1235 K N 1.254 121.669 120.400 0.025 0.000 2.376 1235 K HA 0.379 4.699 4.320 -0.001 0.000 0.257 1235 K C -0.952 175.673 176.600 0.041 0.000 0.939 1235 K CA -0.503 55.802 56.287 0.029 0.000 0.809 1235 K CB 1.990 34.506 32.500 0.027 0.000 1.121 1235 K HN 0.011 nan 8.250 nan 0.000 0.425 1236 L N 5.194 126.442 121.223 0.042 0.000 2.282 1236 L HA 0.356 4.696 4.340 -0.001 0.000 0.287 1236 L C -0.450 176.459 176.870 0.065 0.000 1.075 1236 L CA -0.579 54.294 54.840 0.054 0.000 0.839 1236 L CB -0.146 41.933 42.059 0.034 0.000 1.219 1236 L HN 0.371 nan 8.230 nan 0.000 0.434 1237 I N 4.177 124.800 120.570 0.089 0.000 2.569 1237 I HA 0.482 4.652 4.170 -0.001 0.000 0.296 1237 I C -0.151 176.048 176.117 0.137 0.000 1.028 1237 I CA -0.321 61.035 61.300 0.093 0.000 1.082 1237 I CB 2.243 40.285 38.000 0.070 0.000 1.264 1237 I HN 0.334 nan 8.210 nan 0.000 0.429 1238 I N 5.971 126.615 120.570 0.124 0.000 2.447 1238 I HA 0.486 4.656 4.170 -0.001 0.000 0.287 1238 I C -0.612 175.568 176.117 0.105 0.000 1.023 1238 I CA -0.800 60.593 61.300 0.156 0.000 1.083 1238 I CB 1.318 39.404 38.000 0.143 0.000 1.245 1238 I HN 0.505 nan 8.210 nan 0.000 0.434 1239 R N 4.911 125.455 120.500 0.074 0.000 2.437 1239 R HA 0.820 5.160 4.340 -0.001 0.000 0.310 1239 R C -1.389 174.918 176.300 0.012 0.000 0.955 1239 R CA -0.536 55.591 56.100 0.045 0.000 0.851 1239 R CB 1.313 31.627 30.300 0.024 0.000 1.161 1239 R HN 0.492 nan 8.270 nan 0.000 0.446 1240 C N 2.037 121.363 119.300 0.043 0.000 2.634 1240 C HA 0.661 5.120 4.460 -0.001 0.000 0.313 1240 C C -0.219 174.825 174.990 0.089 0.000 1.198 1240 C CA -0.997 58.040 59.018 0.033 0.000 1.605 1240 C CB 1.543 29.282 27.740 -0.002 0.000 2.196 1240 C HN 0.856 nan 8.230 nan 0.000 0.486 1241 R N 1.004 121.592 120.500 0.147 0.000 2.686 1241 R HA 0.664 5.003 4.340 -0.001 0.000 0.283 1241 R C -1.203 175.168 176.300 0.119 0.000 0.978 1241 R CA -0.574 55.621 56.100 0.157 0.000 0.897 1241 R CB 2.040 32.460 30.300 0.199 0.000 1.192 1241 R HN 0.578 nan 8.270 nan 0.000 0.457 1242 V N 3.012 122.975 119.914 0.083 0.000 2.811 1242 V HA 0.278 4.398 4.120 -0.001 0.000 0.302 1242 V C 0.289 176.418 176.094 0.059 0.000 1.063 1242 V CA -0.029 62.302 62.300 0.051 0.000 1.088 1242 V CB 1.350 33.203 31.823 0.051 0.000 0.982 1242 V HN 0.545 nan 8.190 nan 0.000 0.485 1255 E N 0.174 120.392 120.200 0.031 0.000 2.971 1255 E HA -0.203 4.147 4.350 -0.001 0.000 0.278 1255 E C 0.329 176.924 176.600 -0.009 0.000 1.009 1255 E CA 1.105 57.515 56.400 0.017 0.000 0.862 1255 E CB -1.154 28.564 29.700 0.031 0.000 1.436 1255 E HN 0.802 nan 8.360 nan 0.000 0.434 1256 E N -0.113 120.079 120.200 -0.014 0.000 2.505 1256 E HA -0.061 4.289 4.350 -0.001 0.000 0.197 1256 E C 0.933 177.359 176.600 -0.289 0.000 1.111 1256 E CA 0.392 56.789 56.400 -0.006 0.000 0.887 1256 E CB 0.211 30.063 29.700 0.253 0.000 0.913 1256 E HN 0.362 nan 8.360 nan 0.000 0.517 1257 D N -0.867 119.315 120.400 -0.365 0.000 2.995 1257 D HA -0.020 4.620 4.640 -0.001 0.000 0.289 1257 D C 1.737 177.867 176.300 -0.283 0.000 1.116 1257 D CA 0.028 53.712 54.000 -0.526 0.000 0.994 1257 D CB -0.006 40.378 40.800 -0.693 0.000 1.209 1257 D HN 0.190 nan 8.370 nan 0.000 0.458 1258 H N 1.188 120.148 119.070 -0.183 0.000 2.353 1258 H HA -0.063 4.493 4.556 -0.001 0.000 0.298 1258 H C 2.278 177.557 175.328 -0.081 0.000 1.103 1258 H CA 1.158 57.138 56.048 -0.114 0.000 1.293 1258 H CB -0.062 29.650 29.762 -0.083 0.000 1.372 1258 H HN 0.163 nan 8.280 nan 0.000 0.501 1259 M N -0.520 119.116 119.600 0.061 0.000 2.073 1259 M HA -0.210 4.270 4.480 -0.001 0.000 0.258 1259 M C 2.532 178.830 176.300 -0.004 0.000 1.070 1259 M CA 1.352 56.669 55.300 0.028 0.000 1.103 1259 M CB -0.476 32.132 32.600 0.014 0.000 1.321 1259 M HN 0.122 nan 8.290 nan 0.000 0.405 1260 L N 0.573 121.775 121.223 -0.035 0.000 2.042 1260 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 1260 L C 2.255 179.104 176.870 -0.034 0.000 1.076 1260 L CA 1.939 56.752 54.840 -0.044 0.000 0.749 1260 L CB -0.537 41.502 42.059 -0.033 0.000 0.893 1260 L HN 0.173 nan 8.230 nan 0.000 0.432 1261 K N -0.984 119.391 120.400 -0.042 0.000 2.360 1261 K HA -0.164 4.156 4.320 -0.001 0.000 0.201 1261 K C 1.873 178.483 176.600 0.017 0.000 1.046 1261 K CA 1.110 57.382 56.287 -0.026 0.000 0.945 1261 K CB 0.062 32.527 32.500 -0.058 0.000 0.750 1261 K HN 0.399 nan 8.250 nan 0.000 0.464 1262 K N 0.094 120.515 120.400 0.034 0.000 2.128 1262 K HA 0.076 4.395 4.320 -0.001 0.000 0.202 1262 K C 1.934 178.574 176.600 0.067 0.000 1.050 1262 K CA 0.558 56.879 56.287 0.056 0.000 0.966 1262 K CB 0.086 32.623 32.500 0.063 0.000 0.759 1262 K HN 0.015 nan 8.250 nan 0.000 0.454 1263 I N 2.048 122.636 120.570 0.029 0.000 2.264 1263 I HA -0.297 3.873 4.170 -0.001 0.000 0.248 1263 I C 2.700 178.849 176.117 0.054 0.000 1.111 1263 I CA 1.375 62.671 61.300 -0.006 0.000 1.382 1263 I CB -0.266 37.592 38.000 -0.237 0.000 1.060 1263 I HN 0.310 nan 8.210 nan 0.000 0.418 1264 E N 1.450 121.666 120.200 0.027 0.000 2.051 1264 E HA -0.294 4.056 4.350 -0.001 0.000 0.192 1264 E C 1.999 178.644 176.600 0.075 0.000 0.991 1264 E CA 1.642 58.069 56.400 0.046 0.000 0.799 1264 E CB -0.239 29.477 29.700 0.027 0.000 0.748 1264 E HN 0.524 nan 8.360 nan 0.000 0.449 1265 N N -0.656 118.085 118.700 0.069 0.000 2.018 1265 N HA -0.164 4.576 4.740 -0.001 0.000 0.196 1265 N C 1.729 177.294 175.510 0.091 0.000 1.043 1265 N CA 2.270 55.361 53.050 0.068 0.000 0.856 1265 N CB -0.117 38.404 38.487 0.057 0.000 1.042 1265 N HN 0.119 nan 8.380 nan 0.000 0.423 1266 T N 1.463 116.097 114.554 0.133 0.000 2.737 1266 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 1266 T C 2.014 176.807 174.700 0.155 0.000 1.040 1266 T CA 1.406 63.597 62.100 0.152 0.000 1.142 1266 T CB -0.123 68.893 68.868 0.246 0.000 0.861 1266 T HN 0.310 nan 8.240 nan 0.000 0.456 1267 M N 0.465 120.197 119.600 0.220 0.000 2.064 1267 M HA 0.029 4.509 4.480 -0.001 0.000 0.260 1267 M C 2.347 178.703 176.300 0.093 0.000 1.073 1267 M CA 1.610 57.023 55.300 0.188 0.000 1.124 1267 M CB -0.716 32.011 32.600 0.211 0.000 1.326 1267 M HN 0.174 nan 8.290 nan 0.000 0.410 1268 L N -0.415 120.854 121.223 0.077 0.000 2.127 1268 L HA -0.223 4.116 4.340 -0.001 0.000 0.211 1268 L C 1.943 178.837 176.870 0.041 0.000 1.089 1268 L CA 1.397 56.266 54.840 0.048 0.000 0.757 1268 L CB -0.510 41.575 42.059 0.043 0.000 0.899 1268 L HN 0.412 nan 8.230 nan 0.000 0.434 1269 E N -1.340 118.889 120.200 0.049 0.000 2.288 1269 E HA 0.010 4.360 4.350 -0.001 0.000 0.200 1269 E C 1.765 178.397 176.600 0.053 0.000 0.880 1269 E CA 0.004 56.433 56.400 0.049 0.000 0.971 1269 E CB 0.185 29.910 29.700 0.042 0.000 0.954 1269 E HN 0.345 nan 8.360 nan 0.000 0.489 1270 N N 0.944 119.668 118.700 0.040 0.000 2.331 1270 N HA -0.007 4.732 4.740 -0.001 0.000 0.180 1270 N C 0.536 176.047 175.510 0.002 0.000 1.019 1270 N CA 0.723 53.785 53.050 0.021 0.000 0.881 1270 N CB 0.307 38.795 38.487 0.002 0.000 0.972 1270 N HN 0.159 nan 8.380 nan 0.000 0.435 1271 I N 1.528 122.091 120.570 -0.013 0.000 2.441 1271 I HA 0.051 4.221 4.170 -0.001 0.000 0.287 1271 I C -0.001 176.092 176.117 -0.040 0.000 1.049 1271 I CA -0.010 61.262 61.300 -0.047 0.000 1.381 1271 I CB 0.908 38.870 38.000 -0.063 0.000 1.409 1271 I HN -0.204 nan 8.210 nan 0.000 0.523 1272 T N 7.240 121.765 114.554 -0.048 0.000 2.767 1272 T HA 0.383 4.732 4.350 -0.001 0.000 0.284 1272 T C 1.207 175.835 174.700 -0.121 0.000 0.973 1272 T CA -0.507 61.533 62.100 -0.099 0.000 0.996 1272 T CB 1.378 70.239 68.868 -0.013 0.000 0.927 1272 T HN 0.410 nan 8.240 nan 0.000 0.456 1273 L N 2.024 123.149 121.223 -0.162 0.000 2.221 1273 L HA 0.373 4.713 4.340 -0.001 0.000 0.202 1273 L C 1.210 178.006 176.870 -0.124 0.000 1.074 1273 L CA 0.592 55.352 54.840 -0.133 0.000 0.795 1273 L CB 0.013 41.992 42.059 -0.132 0.000 0.960 1273 L HN 0.398 nan 8.230 nan 0.000 0.458 1274 R N -1.073 119.338 120.500 -0.149 0.000 2.634 1274 R HA 0.521 4.861 4.340 -0.001 0.000 0.263 1274 R C -0.916 175.315 176.300 -0.114 0.000 1.060 1274 R CA -0.061 55.973 56.100 -0.109 0.000 0.898 1274 R CB 2.220 32.466 30.300 -0.090 0.000 1.253 1274 R HN 0.159 nan 8.270 nan 0.000 0.461 1275 G N 0.379 109.150 108.800 -0.049 0.000 2.525 1275 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.685 1275 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.685 1275 G C -1.502 173.442 174.900 0.074 0.000 1.290 1275 G CA -0.761 44.342 45.100 0.004 0.000 0.915 1275 G HN 0.390 nan 8.290 nan 0.000 0.548 1276 V N 0.134 120.115 119.914 0.111 0.000 2.630 1276 V HA 0.613 4.733 4.120 -0.001 0.000 0.305 1276 V C 0.646 176.817 176.094 0.129 0.000 1.046 1276 V CA -0.606 61.755 62.300 0.103 0.000 0.934 1276 V CB 1.704 33.553 31.823 0.044 0.000 1.003 1276 V HN 0.850 nan 8.190 nan 0.000 0.451 1277 E N 3.108 123.332 120.200 0.040 0.000 2.384 1277 E HA 0.227 4.577 4.350 -0.001 0.000 0.266 1277 E C 0.582 177.096 176.600 -0.143 0.000 1.012 1277 E CA 0.514 56.826 56.400 -0.145 0.000 0.901 1277 E CB 0.122 29.754 29.700 -0.114 0.000 0.967 1277 E HN 0.706 nan 8.360 nan 0.000 0.435 1278 N N 1.122 119.686 118.700 -0.228 0.000 2.962 1278 N HA -0.196 4.544 4.740 -0.001 0.000 0.206 1278 N C -0.793 174.671 175.510 -0.077 0.000 0.907 1278 N CA 0.722 53.692 53.050 -0.134 0.000 1.029 1278 N CB -0.969 37.465 38.487 -0.087 0.000 1.009 1278 N HN 0.281 nan 8.380 nan 0.000 0.587 1279 I N 2.211 122.756 120.570 -0.042 0.000 2.307 1279 I HA 0.198 4.368 4.170 -0.001 0.000 0.287 1279 I C 1.284 177.431 176.117 0.049 0.000 1.054 1279 I CA 0.071 61.377 61.300 0.009 0.000 1.218 1279 I CB 1.188 39.205 38.000 0.028 0.000 1.398 1279 I HN 0.031 nan 8.210 nan 0.000 0.475 1280 E N 4.131 124.350 120.200 0.032 0.000 2.066 1280 E HA 0.288 4.638 4.350 -0.001 0.000 0.207 1280 E C 0.429 177.062 176.600 0.054 0.000 0.937 1280 E CA 0.106 56.537 56.400 0.051 0.000 0.906 1280 E CB 0.177 29.891 29.700 0.024 0.000 0.986 1280 E HN 0.377 nan 8.360 nan 0.000 0.490 1281 R N 0.530 121.051 120.500 0.035 0.000 2.590 1281 R HA 0.281 4.621 4.340 -0.001 0.000 0.274 1281 R C -1.062 175.282 176.300 0.074 0.000 1.061 1281 R CA 0.072 56.200 56.100 0.047 0.000 1.081 1281 R CB 0.787 31.103 30.300 0.027 0.000 0.984 1281 R HN 0.026 nan 8.270 nan 0.000 0.448 1282 V N 3.881 123.872 119.914 0.128 0.000 2.559 1282 V HA 0.182 4.302 4.120 -0.001 0.000 0.289 1282 V C -0.614 175.544 176.094 0.106 0.000 1.036 1282 V CA -0.715 61.637 62.300 0.087 0.000 0.887 1282 V CB 1.825 33.679 31.823 0.050 0.000 1.022 1282 V HN 0.446 nan 8.190 nan 0.000 0.442 1283 V N 5.606 125.562 119.914 0.069 0.000 2.630 1283 V HA 0.555 4.675 4.120 -0.001 0.000 0.305 1283 V C 0.156 176.254 176.094 0.006 0.000 1.046 1283 V CA -0.577 61.761 62.300 0.063 0.000 0.934 1283 V CB 2.067 33.940 31.823 0.083 0.000 1.003 1283 V HN 0.784 nan 8.190 nan 0.000 0.451 1284 M N 5.117 124.714 119.600 -0.005 0.000 2.318 1284 M HA 0.633 5.112 4.480 -0.001 0.000 0.347 1284 M C -0.737 175.658 176.300 0.157 0.000 1.175 1284 M CA -0.145 55.168 55.300 0.022 0.000 1.075 1284 M CB 1.592 34.123 32.600 -0.115 0.000 1.614 1284 M HN 0.424 nan 8.290 nan 0.000 0.456 1285 M N 1.761 121.475 119.600 0.189 0.000 2.664 1285 M HA 0.466 4.946 4.480 -0.001 0.000 0.279 1285 M C -1.096 175.220 176.300 0.028 0.000 1.275 1285 M CA -0.698 54.692 55.300 0.150 0.000 0.829 1285 M CB 2.402 35.042 32.600 0.067 0.000 1.727 1285 M HN 0.539 nan 8.290 nan 0.000 0.459 1286 K N 1.326 121.678 120.400 -0.079 0.000 2.507 1286 K HA 0.498 4.817 4.320 -0.001 0.000 0.253 1286 K C -1.860 174.752 176.600 0.019 0.000 0.969 1286 K CA -0.154 55.922 56.287 -0.351 0.000 0.908 1286 K CB 1.010 33.109 32.500 -0.668 0.000 1.127 1286 K HN 0.637 nan 8.250 nan 0.000 0.437 1287 Y N 1.917 122.148 120.300 -0.115 0.000 2.334 1287 Y HA 0.157 4.707 4.550 -0.001 0.000 0.328 1287 Y C 0.416 176.286 175.900 -0.049 0.000 1.130 1287 Y CA -1.363 56.716 58.100 -0.036 0.000 1.163 1287 Y CB 1.331 39.820 38.460 0.048 0.000 1.207 1287 Y HN 0.466 nan 8.280 nan 0.000 0.471 1288 D N 3.035 123.508 120.400 0.122 0.000 2.264 1288 D HA 0.173 4.812 4.640 -0.001 0.000 0.250 1288 D C -0.437 175.911 176.300 0.080 0.000 1.113 1288 D CA -0.139 53.895 54.000 0.056 0.000 0.871 1288 D CB 1.177 41.990 40.800 0.023 0.000 1.167 1288 D HN 0.395 nan 8.370 nan 0.000 0.447 1289 R N 2.427 122.969 120.500 0.070 0.000 2.393 1289 R HA 0.149 4.488 4.340 -0.001 0.000 0.315 1289 R C -0.474 175.870 176.300 0.074 0.000 0.952 1289 R CA -0.770 55.377 56.100 0.078 0.000 0.842 1289 R CB 0.851 31.202 30.300 0.085 0.000 1.163 1289 R HN 0.075 nan 8.270 nan 0.000 0.450 1290 K N 3.762 124.213 120.400 0.086 0.000 2.336 1290 K HA 0.171 4.491 4.320 -0.001 0.000 0.290 1290 K C -0.723 176.015 176.600 0.231 0.000 1.067 1290 K CA 0.042 56.415 56.287 0.142 0.000 0.962 1290 K CB 0.876 33.430 32.500 0.091 0.000 1.008 1290 K HN 0.318 nan 8.250 nan 0.000 0.467 1291 V N 5.454 125.485 119.914 0.195 0.000 3.001 1291 V HA 0.351 4.470 4.120 -0.001 0.000 0.314 1291 V C -2.405 173.635 176.094 -0.090 0.000 1.099 1291 V CA -2.390 59.967 62.300 0.096 0.000 0.989 1291 V CB 2.387 34.224 31.823 0.025 0.000 1.040 1291 V HN 0.501 nan 8.190 nan 0.000 0.434 1292 P HA 0.200 nan 4.420 nan 0.000 0.276 1292 P C -0.500 176.669 177.300 -0.218 0.000 1.243 1292 P CA 0.207 63.022 63.100 -0.475 0.000 0.768 1292 P CB 0.788 32.190 31.700 -0.496 0.000 0.856 1293 S N 5.405 121.003 115.700 -0.170 0.000 2.603 1293 S HA 0.261 4.731 4.470 -0.001 0.000 0.268 1293 S C -1.097 173.449 174.600 -0.091 0.000 1.317 1293 S CA -1.279 56.866 58.200 -0.091 0.000 1.012 1293 S CB -0.065 63.102 63.200 -0.055 0.000 0.926 1293 S HN 0.301 nan 8.310 nan 0.000 0.539 1294 P HA -0.082 nan 4.420 nan 0.000 0.220 1294 P C 0.906 178.176 177.300 -0.049 0.000 1.144 1294 P CA 1.342 64.410 63.100 -0.053 0.000 0.800 1294 P CB -0.445 31.234 31.700 -0.035 0.000 0.772 1295 T N -2.253 112.276 114.554 -0.043 0.000 3.113 1295 T HA 0.286 4.636 4.350 -0.001 0.000 0.256 1295 T C 1.549 176.225 174.700 -0.040 0.000 1.131 1295 T CA 0.953 63.036 62.100 -0.029 0.000 1.074 1295 T CB -0.023 68.838 68.868 -0.012 0.000 0.944 1295 T HN 0.338 nan 8.240 nan 0.000 0.516 1296 G N 1.907 110.658 108.800 -0.081 0.000 2.424 1296 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.207 1296 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.207 1296 G C -0.113 174.699 174.900 -0.147 0.000 1.061 1296 G CA -0.327 44.704 45.100 -0.114 0.000 0.657 1296 G HN 0.570 nan 8.290 nan 0.000 0.508 1297 E N 1.408 121.568 120.200 -0.067 0.000 2.392 1297 E HA 0.514 4.863 4.350 -0.001 0.000 0.264 1297 E C -0.385 176.176 176.600 -0.065 0.000 1.024 1297 E CA -0.620 55.770 56.400 -0.016 0.000 0.903 1297 E CB 0.193 29.918 29.700 0.042 0.000 0.963 1297 E HN 0.448 nan 8.360 nan 0.000 0.432 1298 Y N 1.090 121.392 120.300 0.004 0.000 2.511 1298 Y HA 0.306 4.856 4.550 -0.001 0.000 0.332 1298 Y C 0.220 176.121 175.900 0.002 0.000 1.177 1298 Y CA 0.007 58.108 58.100 0.002 0.000 1.422 1298 Y CB 0.639 39.103 38.460 0.007 0.000 1.271 1298 Y HN 0.231 nan 8.280 nan 0.000 0.550 1299 V N 3.776 123.762 119.914 0.120 0.000 2.925 1299 V HA 0.307 4.426 4.120 -0.001 0.000 0.311 1299 V C -0.679 175.458 176.094 0.071 0.000 1.104 1299 V CA -1.824 60.520 62.300 0.073 0.000 0.954 1299 V CB 2.319 34.158 31.823 0.026 0.000 1.022 1299 V HN 0.559 nan 8.190 nan 0.000 0.427 1300 K N 2.755 123.186 120.400 0.051 0.000 2.297 1300 K HA 0.447 4.767 4.320 -0.001 0.000 0.286 1300 K C -0.508 176.105 176.600 0.022 0.000 1.053 1300 K CA -0.107 56.205 56.287 0.040 0.000 0.940 1300 K CB 0.660 33.176 32.500 0.027 0.000 1.019 1300 K HN 0.617 nan 8.250 nan 0.000 0.475 1301 E N 4.797 125.010 120.200 0.022 0.000 2.220 1301 E HA 0.193 4.543 4.350 -0.001 0.000 0.256 1301 E C -2.447 174.149 176.600 -0.006 0.000 0.881 1301 E CA -2.147 54.255 56.400 0.004 0.000 0.766 1301 E CB 1.748 31.452 29.700 0.007 0.000 1.187 1301 E HN 0.393 nan 8.360 nan 0.000 0.419 1302 P HA -0.046 nan 4.420 nan 0.000 0.269 1302 P C -0.844 176.378 177.300 -0.130 0.000 1.209 1302 P CA 0.234 63.272 63.100 -0.103 0.000 0.776 1302 P CB 0.799 32.398 31.700 -0.168 0.000 0.876 1303 E N 1.764 121.869 120.200 -0.157 0.000 2.343 1303 E HA 0.317 4.666 4.350 -0.001 0.000 0.278 1303 E C -1.492 174.976 176.600 -0.220 0.000 0.910 1303 E CA -0.966 55.366 56.400 -0.114 0.000 0.757 1303 E CB 0.801 30.536 29.700 0.059 0.000 1.218 1303 E HN 0.300 nan 8.360 nan 0.000 0.435 1304 W N 2.236 123.514 121.300 -0.036 0.000 2.238 1304 W HA 0.441 5.101 4.660 -0.001 0.000 0.321 1304 W C -0.464 175.931 176.519 -0.206 0.000 1.293 1304 W CA -0.307 56.969 57.345 -0.114 0.000 1.204 1304 W CB 1.429 30.844 29.460 -0.075 0.000 1.167 1304 W HN 0.266 nan 8.180 nan 0.000 0.553 1305 V N 4.615 124.461 119.914 -0.114 0.000 2.876 1305 V HA 0.488 4.608 4.120 -0.001 0.000 0.312 1305 V C -0.402 175.526 176.094 -0.277 0.000 1.085 1305 V CA -1.320 60.739 62.300 -0.401 0.000 0.945 1305 V CB 1.836 33.096 31.823 -0.939 0.000 1.017 1305 V HN 0.265 nan 8.190 nan 0.000 0.428 1306 L N 2.596 123.669 121.223 -0.251 0.000 2.325 1306 L HA 0.632 4.971 4.340 -0.001 0.000 0.281 1306 L C -0.313 176.498 176.870 -0.099 0.000 1.004 1306 L CA -0.445 54.314 54.840 -0.136 0.000 0.823 1306 L CB 1.639 43.639 42.059 -0.097 0.000 1.236 1306 L HN 0.634 nan 8.230 nan 0.000 0.415 1307 E N 2.029 122.206 120.200 -0.038 0.000 2.175 1307 E HA 0.441 4.790 4.350 -0.001 0.000 0.278 1307 E C -0.362 176.252 176.600 0.025 0.000 0.969 1307 E CA -0.520 55.889 56.400 0.016 0.000 0.796 1307 E CB 2.125 31.865 29.700 0.066 0.000 1.104 1307 E HN 0.611 nan 8.360 nan 0.000 0.395 1308 T N -0.251 114.317 114.554 0.025 0.000 2.912 1308 T HA 0.397 4.747 4.350 -0.001 0.000 0.288 1308 T C -0.608 174.105 174.700 0.022 0.000 1.030 1308 T CA -1.094 61.021 62.100 0.024 0.000 1.020 1308 T CB 1.314 70.191 68.868 0.016 0.000 1.056 1308 T HN 0.108 nan 8.240 nan 0.000 0.480 1309 D N 1.116 121.528 120.400 0.020 0.000 2.396 1309 D HA 0.634 5.273 4.640 -0.001 0.000 0.225 1309 D C 0.500 176.800 176.300 -0.001 0.000 1.121 1309 D CA 0.688 54.694 54.000 0.010 0.000 0.853 1309 D CB 0.609 41.415 40.800 0.010 0.000 1.043 1309 D HN 1.130 nan 8.370 nan 0.000 0.500 1310 G N 0.143 108.935 108.800 -0.012 0.000 2.484 1310 G HA2 0.196 4.156 3.960 -0.001 0.000 0.685 1310 G HA3 0.196 4.156 3.960 -0.001 0.000 0.685 1310 G C -1.474 173.410 174.900 -0.027 0.000 1.294 1310 G CA -1.000 44.085 45.100 -0.026 0.000 0.879 1310 G HN 0.423 nan 8.290 nan 0.000 0.646 1311 V N 1.455 121.346 119.914 -0.039 0.000 2.760 1311 V HA 0.794 4.914 4.120 -0.001 0.000 0.309 1311 V C -0.370 175.700 176.094 -0.040 0.000 1.077 1311 V CA -0.855 61.421 62.300 -0.040 0.000 0.910 1311 V CB 2.201 33.990 31.823 -0.057 0.000 1.008 1311 V HN 1.003 nan 8.190 nan 0.000 0.424 1312 N N 3.169 121.852 118.700 -0.029 0.000 2.666 1312 N HA 0.114 4.854 4.740 -0.001 0.000 0.253 1312 N C 0.467 175.970 175.510 -0.012 0.000 1.621 1312 N CA -0.311 52.725 53.050 -0.024 0.000 0.785 1312 N CB 1.015 39.489 38.487 -0.022 0.000 1.332 1312 N HN 0.581 nan 8.380 nan 0.000 0.514 1313 L N 1.683 122.897 121.223 -0.014 0.000 1.991 1313 L HA -0.230 4.110 4.340 -0.001 0.000 0.221 1313 L C 2.293 179.168 176.870 0.009 0.000 1.079 1313 L CA 2.846 57.686 54.840 -0.001 0.000 0.778 1313 L CB -1.081 40.973 42.059 -0.008 0.000 0.893 1313 L HN 0.506 nan 8.230 nan 0.000 0.437 1314 S N -1.543 114.159 115.700 0.004 0.000 2.392 1314 S HA -0.282 4.187 4.470 -0.001 0.000 0.232 1314 S C 1.757 176.363 174.600 0.010 0.000 1.041 1314 S CA 1.817 60.022 58.200 0.008 0.000 1.026 1314 S CB -0.728 62.475 63.200 0.004 0.000 0.845 1314 S HN 0.736 nan 8.310 nan 0.000 0.465 1315 E N 0.344 120.549 120.200 0.007 0.000 2.127 1315 E HA 0.109 4.459 4.350 -0.001 0.000 0.191 1315 E C 2.199 178.807 176.600 0.014 0.000 0.964 1315 E CA 0.675 57.081 56.400 0.010 0.000 0.832 1315 E CB -0.148 29.556 29.700 0.007 0.000 0.790 1315 E HN 0.351 nan 8.360 nan 0.000 0.465 1316 V N 1.983 121.906 119.914 0.015 0.000 2.392 1316 V HA -0.300 3.820 4.120 -0.001 0.000 0.249 1316 V C 2.428 178.539 176.094 0.027 0.000 1.059 1316 V CA 1.786 64.097 62.300 0.019 0.000 1.051 1316 V CB -0.407 31.427 31.823 0.018 0.000 0.658 1316 V HN 0.352 nan 8.190 nan 0.000 0.455 1317 M N -0.398 119.221 119.600 0.032 0.000 2.195 1317 M HA -0.228 4.251 4.480 -0.001 0.000 0.260 1317 M C 2.107 178.429 176.300 0.036 0.000 1.066 1317 M CA 2.228 57.553 55.300 0.042 0.000 1.089 1317 M CB -0.290 32.335 32.600 0.042 0.000 1.377 1317 M HN 0.371 nan 8.290 nan 0.000 0.411 1318 T N 0.368 114.938 114.554 0.027 0.000 3.055 1318 T HA 0.074 4.424 4.350 -0.001 0.000 0.265 1318 T C 0.416 175.128 174.700 0.021 0.000 1.111 1318 T CA 0.029 62.142 62.100 0.023 0.000 1.118 1318 T CB -0.241 68.637 68.868 0.017 0.000 0.909 1318 T HN 0.149 nan 8.240 nan 0.000 0.501 1319 V N 4.947 124.873 119.914 0.020 0.000 2.673 1319 V HA 0.145 4.264 4.120 -0.001 0.000 0.303 1319 V C -1.746 174.361 176.094 0.021 0.000 1.046 1319 V CA -1.282 61.027 62.300 0.016 0.000 1.126 1319 V CB 0.592 32.422 31.823 0.012 0.000 0.934 1319 V HN 0.350 nan 8.190 nan 0.000 0.487 1320 P HA 0.290 nan 4.420 nan 0.000 0.274 1320 P C 0.713 178.028 177.300 0.024 0.000 1.231 1320 P CA 0.722 63.834 63.100 0.020 0.000 0.790 1320 P CB 1.276 32.983 31.700 0.011 0.000 0.951 1321 G N 1.612 110.439 108.800 0.045 0.000 2.217 1321 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.246 1321 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.246 1321 G C 0.282 175.231 174.900 0.082 0.000 0.990 1321 G CA 0.335 45.474 45.100 0.066 0.000 0.627 1321 G HN 0.768 nan 8.290 nan 0.000 0.522 1322 I N -2.414 118.197 120.570 0.068 0.000 3.514 1322 I HA 0.788 4.958 4.170 -0.001 0.000 0.300 1322 I C -0.687 175.486 176.117 0.093 0.000 1.194 1322 I CA -0.960 60.390 61.300 0.082 0.000 0.968 1322 I CB 1.629 39.671 38.000 0.070 0.000 1.418 1322 I HN -0.079 nan 8.210 nan 0.000 0.614 1323 D N 2.784 123.256 120.400 0.119 0.000 2.477 1323 D HA 0.322 4.962 4.640 -0.001 0.000 0.239 1323 D C -1.755 174.611 176.300 0.111 0.000 1.102 1323 D CA -2.247 51.818 54.000 0.109 0.000 0.901 1323 D CB 1.287 42.162 40.800 0.125 0.000 1.026 1323 D HN 0.344 nan 8.370 nan 0.000 0.515 1324 P HA -0.119 nan 4.420 nan 0.000 0.219 1324 P C 1.248 178.595 177.300 0.078 0.000 1.146 1324 P CA 0.816 63.964 63.100 0.079 0.000 0.808 1324 P CB 0.320 32.054 31.700 0.057 0.000 0.779 1325 T N -0.028 114.562 114.554 0.059 0.000 2.915 1325 T HA -0.050 4.300 4.350 -0.001 0.000 0.269 1325 T C 1.613 176.336 174.700 0.038 0.000 1.071 1325 T CA 1.141 63.264 62.100 0.039 0.000 1.132 1325 T CB -0.250 68.626 68.868 0.015 0.000 0.878 1325 T HN 0.294 nan 8.240 nan 0.000 0.479 1326 R N -0.383 120.153 120.500 0.060 0.000 2.437 1326 R HA 0.419 4.759 4.340 -0.001 0.000 0.257 1326 R C 0.543 176.978 176.300 0.225 0.000 0.927 1326 R CA -0.259 55.857 56.100 0.027 0.000 1.078 1326 R CB 0.405 30.596 30.300 -0.181 0.000 1.161 1326 R HN 0.347 nan 8.270 nan 0.000 0.529 1327 I N 1.045 121.772 120.570 0.261 0.000 2.948 1327 I HA -0.078 4.092 4.170 -0.001 0.000 0.290 1327 I C -0.603 175.736 176.117 0.369 0.000 1.226 1327 I CA 0.467 61.956 61.300 0.314 0.000 1.413 1327 I CB 0.386 38.498 38.000 0.187 0.000 1.352 1327 I HN 0.016 nan 8.210 nan 0.000 0.597 1328 Y N 4.626 125.045 120.300 0.197 0.000 2.689 1328 Y HA 0.473 5.023 4.550 -0.001 0.000 0.333 1328 Y C -0.957 175.022 175.900 0.130 0.000 1.208 1328 Y CA -0.596 57.605 58.100 0.168 0.000 1.055 1328 Y CB 1.712 40.302 38.460 0.216 0.000 1.304 1328 Y HN 0.574 nan 8.280 nan 0.000 0.455 1329 T N 2.358 116.447 114.554 -0.776 0.000 3.012 1329 T HA 0.210 4.559 4.350 -0.001 0.000 0.330 1329 T C -0.333 173.903 174.700 -0.772 0.000 1.321 1329 T CA -0.344 61.449 62.100 -0.512 0.000 1.067 1329 T CB 0.594 69.317 68.868 -0.241 0.000 1.235 1329 T HN 0.824 nan 8.240 nan 0.000 0.479 1330 N N 2.141 120.655 118.700 -0.310 0.000 2.571 1330 N HA -0.019 4.721 4.740 -0.001 0.000 0.189 1330 N C 0.556 175.998 175.510 -0.113 0.000 1.154 1330 N CA 0.034 53.022 53.050 -0.105 0.000 0.907 1330 N CB 0.168 38.682 38.487 0.046 0.000 0.977 1330 N HN 0.328 nan 8.380 nan 0.000 0.449 1331 S N 0.843 116.412 115.700 -0.218 0.000 2.642 1331 S HA 0.199 4.669 4.470 -0.001 0.000 0.309 1331 S C 0.801 175.234 174.600 -0.278 0.000 1.125 1331 S CA -0.956 57.060 58.200 -0.307 0.000 1.055 1331 S CB -0.863 62.193 63.200 -0.242 0.000 1.157 1331 S HN 0.283 nan 8.310 nan 0.000 0.513 1332 F N 3.624 123.541 119.950 -0.054 0.000 2.216 1332 F HA 0.013 4.539 4.527 -0.001 0.000 0.300 1332 F C 1.568 177.365 175.800 -0.006 0.000 1.085 1332 F CA 0.634 58.622 58.000 -0.020 0.000 1.326 1332 F CB -0.824 38.194 39.000 0.031 0.000 1.027 1332 F HN 0.472 nan 8.300 nan 0.000 0.497 1333 I N 1.199 121.604 120.570 -0.276 0.000 2.208 1333 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 1333 I C 2.161 178.252 176.117 -0.044 0.000 1.097 1333 I CA 1.817 63.058 61.300 -0.099 0.000 1.363 1333 I CB -0.622 37.259 38.000 -0.198 0.000 1.051 1333 I HN 0.219 nan 8.210 nan 0.000 0.413 1334 D N 0.780 121.127 120.400 -0.088 0.000 2.144 1334 D HA -0.099 4.541 4.640 -0.001 0.000 0.200 1334 D C 2.307 178.600 176.300 -0.012 0.000 0.978 1334 D CA 1.203 55.172 54.000 -0.050 0.000 0.833 1334 D CB 0.051 40.807 40.800 -0.073 0.000 0.961 1334 D HN 0.366 nan 8.370 nan 0.000 0.470 1335 I N 1.130 121.700 120.570 -0.001 0.000 2.286 1335 I HA -0.239 3.930 4.170 -0.001 0.000 0.248 1335 I C 2.579 178.736 176.117 0.067 0.000 1.115 1335 I CA 0.684 62.008 61.300 0.041 0.000 1.392 1335 I CB -0.171 37.872 38.000 0.071 0.000 1.065 1335 I HN 0.054 nan 8.210 nan 0.000 0.418 1336 M N 0.892 120.541 119.600 0.082 0.000 2.099 1336 M HA -0.204 4.276 4.480 -0.001 0.000 0.262 1336 M C 2.029 178.363 176.300 0.057 0.000 1.067 1336 M CA 1.972 57.324 55.300 0.085 0.000 1.124 1336 M CB -0.386 32.282 32.600 0.113 0.000 1.353 1336 M HN 0.216 nan 8.290 nan 0.000 0.410 1337 E N -0.576 119.648 120.200 0.041 0.000 2.268 1337 E HA -0.118 4.231 4.350 -0.001 0.000 0.195 1337 E C 1.922 178.537 176.600 0.025 0.000 0.995 1337 E CA 1.169 57.587 56.400 0.029 0.000 0.836 1337 E CB 0.053 29.763 29.700 0.016 0.000 0.763 1337 E HN 0.427 nan 8.360 nan 0.000 0.491 1338 V N 0.444 120.373 119.914 0.026 0.000 2.922 1338 V HA -0.018 4.102 4.120 -0.001 0.000 0.242 1338 V C 1.803 177.917 176.094 0.034 0.000 1.094 1338 V CA 0.694 63.009 62.300 0.025 0.000 1.106 1338 V CB 0.133 31.968 31.823 0.020 0.000 0.799 1338 V HN 0.181 nan 8.190 nan 0.000 0.474 1339 L N 0.090 121.339 121.223 0.044 0.000 2.693 1339 L HA 0.589 4.929 4.340 -0.001 0.000 0.235 1339 L C 0.950 177.849 176.870 0.049 0.000 1.127 1339 L CA 0.621 55.490 54.840 0.049 0.000 0.914 1339 L CB 0.243 42.341 42.059 0.064 0.000 1.193 1339 L HN 0.501 nan 8.230 nan 0.000 0.502 1340 G N 0.371 109.200 108.800 0.049 0.000 2.662 1340 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.686 1340 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.686 1340 G C 0.115 175.051 174.900 0.059 0.000 1.271 1340 G CA -0.263 44.866 45.100 0.048 0.000 0.816 1340 G HN -0.076 nan 8.290 nan 0.000 0.608 1341 I N 0.597 121.201 120.570 0.056 0.000 2.118 1341 I HA -0.120 4.050 4.170 -0.001 0.000 0.241 1341 I C 2.527 178.683 176.117 0.064 0.000 1.070 1341 I CA 2.825 64.163 61.300 0.063 0.000 1.327 1341 I CB -0.161 37.872 38.000 0.055 0.000 1.034 1341 I HN 0.674 nan 8.210 nan 0.000 0.405 1342 E N 0.658 120.890 120.200 0.053 0.000 2.070 1342 E HA -0.249 4.101 4.350 -0.001 0.000 0.197 1342 E C 2.262 178.897 176.600 0.059 0.000 1.004 1342 E CA 1.591 58.020 56.400 0.049 0.000 0.805 1342 E CB -0.717 29.003 29.700 0.035 0.000 0.744 1342 E HN 0.633 nan 8.360 nan 0.000 0.451 1343 A N 0.874 123.734 122.820 0.066 0.000 1.902 1343 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 1343 A C 2.515 180.169 177.584 0.116 0.000 1.181 1343 A CA 2.041 54.130 52.037 0.086 0.000 0.623 1343 A CB -1.131 17.920 19.000 0.086 0.000 0.818 1343 A HN 0.351 nan 8.150 nan 0.000 0.443 1344 G N -0.614 108.253 108.800 0.112 0.000 2.469 1344 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.219 1344 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.219 1344 G C 1.748 176.723 174.900 0.125 0.000 1.150 1344 G CA 1.126 46.310 45.100 0.141 0.000 0.763 1344 G HN 0.554 nan 8.290 nan 0.000 0.561 1345 R N 0.517 121.071 120.500 0.090 0.000 2.083 1345 R HA -0.059 4.281 4.340 -0.001 0.000 0.237 1345 R C 2.906 179.268 176.300 0.102 0.000 1.137 1345 R CA 1.561 57.703 56.100 0.070 0.000 0.951 1345 R CB -0.414 29.918 30.300 0.054 0.000 0.851 1345 R HN 0.317 nan 8.270 nan 0.000 0.434 1346 A N 0.454 123.342 122.820 0.113 0.000 1.933 1346 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 1346 A C 2.294 180.018 177.584 0.233 0.000 1.175 1346 A CA 1.685 53.808 52.037 0.144 0.000 0.628 1346 A CB -0.606 18.453 19.000 0.098 0.000 0.814 1346 A HN 0.541 nan 8.150 nan 0.000 0.444 1347 A N -0.536 122.433 122.820 0.248 0.000 1.872 1347 A HA 0.024 4.343 4.320 -0.001 0.000 0.214 1347 A C 2.080 179.805 177.584 0.235 0.000 1.187 1347 A CA 1.556 53.802 52.037 0.349 0.000 0.614 1347 A CB -0.653 18.564 19.000 0.360 0.000 0.826 1347 A HN 0.684 nan 8.150 nan 0.000 0.442 1348 L N -1.386 119.881 121.223 0.073 0.000 2.129 1348 L HA -0.194 4.146 4.340 -0.001 0.000 0.212 1348 L C 2.228 179.037 176.870 -0.102 0.000 1.087 1348 L CA 2.359 57.045 54.840 -0.256 0.000 0.757 1348 L CB -0.784 41.081 42.059 -0.324 0.000 0.896 1348 L HN 0.564 nan 8.230 nan 0.000 0.434 1349 Y N 0.075 120.353 120.300 -0.038 0.000 2.153 1349 Y HA -0.201 4.349 4.550 -0.001 0.000 0.289 1349 Y C 2.680 178.631 175.900 0.085 0.000 1.127 1349 Y CA 2.130 60.227 58.100 -0.005 0.000 1.131 1349 Y CB -0.247 38.206 38.460 -0.011 0.000 0.995 1349 Y HN 0.144 nan 8.280 nan 0.000 0.505 1350 K N 0.041 120.546 120.400 0.176 0.000 2.113 1350 K HA -0.229 4.091 4.320 -0.001 0.000 0.208 1350 K C 1.897 178.579 176.600 0.137 0.000 1.047 1350 K CA 1.835 58.218 56.287 0.161 0.000 0.928 1350 K CB -0.044 32.596 32.500 0.233 0.000 0.716 1350 K HN 0.324 nan 8.250 nan 0.000 0.446 1351 E N 0.250 120.534 120.200 0.139 0.000 2.047 1351 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 1351 E C 2.126 178.737 176.600 0.018 0.000 0.987 1351 E CA 1.036 57.514 56.400 0.131 0.000 0.799 1351 E CB -0.383 29.423 29.700 0.177 0.000 0.752 1351 E HN 0.118 nan 8.360 nan 0.000 0.449 1352 V N 1.023 120.884 119.914 -0.089 0.000 2.295 1352 V HA -0.277 3.843 4.120 -0.001 0.000 0.246 1352 V C 2.270 178.277 176.094 -0.144 0.000 1.049 1352 V CA 1.944 64.166 62.300 -0.131 0.000 1.024 1352 V CB -0.750 30.961 31.823 -0.186 0.000 0.648 1352 V HN 0.236 nan 8.190 nan 0.000 0.447 1353 Y N 2.069 122.152 120.300 -0.361 0.000 2.114 1353 Y HA -0.298 4.252 4.550 -0.001 0.000 0.282 1353 Y C 2.537 178.369 175.900 -0.114 0.000 1.165 1353 Y CA 2.254 60.171 58.100 -0.306 0.000 1.148 1353 Y CB -0.399 37.803 38.460 -0.430 0.000 0.972 1353 Y HN 0.300 nan 8.280 nan 0.000 0.504 1354 N N -0.125 118.567 118.700 -0.014 0.000 2.120 1354 N HA -0.168 4.572 4.740 -0.001 0.000 0.188 1354 N C 1.968 177.418 175.510 -0.100 0.000 1.024 1354 N CA 1.674 54.699 53.050 -0.043 0.000 0.852 1354 N CB -0.717 37.822 38.487 0.088 0.000 1.003 1354 N HN 0.327 nan 8.380 nan 0.000 0.424 1355 V N 1.528 121.399 119.914 -0.072 0.000 2.469 1355 V HA -0.165 3.954 4.120 -0.001 0.000 0.251 1355 V C 2.101 178.131 176.094 -0.107 0.000 1.064 1355 V CA 1.237 63.498 62.300 -0.065 0.000 1.066 1355 V CB -0.333 31.464 31.823 -0.045 0.000 0.667 1355 V HN 0.267 nan 8.190 nan 0.000 0.461 1356 I N -0.010 120.457 120.570 -0.172 0.000 2.494 1356 I HA 0.009 4.179 4.170 -0.001 0.000 0.250 1356 I C 2.511 178.499 176.117 -0.215 0.000 1.112 1356 I CA 1.023 62.214 61.300 -0.182 0.000 1.438 1356 I CB -0.496 37.386 38.000 -0.197 0.000 1.111 1356 I HN 0.238 nan 8.210 nan 0.000 0.431 1357 A N 0.012 122.617 122.820 -0.359 0.000 2.172 1357 A HA -0.159 4.160 4.320 -0.001 0.000 0.216 1357 A C 2.390 179.875 177.584 -0.163 0.000 1.154 1357 A CA 1.606 53.444 52.037 -0.333 0.000 0.701 1357 A CB -0.527 18.113 19.000 -0.601 0.000 0.789 1357 A HN 0.363 nan 8.150 nan 0.000 0.465 1358 S N -0.074 115.548 115.700 -0.130 0.000 2.382 1358 S HA -0.141 4.328 4.470 -0.001 0.000 0.228 1358 S C 1.142 175.711 174.600 -0.052 0.000 1.027 1358 S CA 1.491 59.650 58.200 -0.069 0.000 0.991 1358 S CB -0.335 62.833 63.200 -0.052 0.000 0.823 1358 S HN 0.614 nan 8.310 nan 0.000 0.469 1359 D N -0.079 120.286 120.400 -0.059 0.000 2.358 1359 D HA 0.239 4.879 4.640 -0.001 0.000 0.224 1359 D C 1.256 177.536 176.300 -0.035 0.000 1.123 1359 D CA 0.657 54.633 54.000 -0.041 0.000 0.833 1359 D CB 0.148 40.923 40.800 -0.042 0.000 0.946 1359 D HN 0.560 nan 8.370 nan 0.000 0.505 1360 G N 1.133 109.907 108.800 -0.043 0.000 2.168 1360 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.263 1360 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.263 1360 G C 0.568 175.461 174.900 -0.012 0.000 0.977 1360 G CA 0.474 45.556 45.100 -0.029 0.000 0.659 1360 G HN 0.334 nan 8.290 nan 0.000 0.533 1361 S N -0.766 114.919 115.700 -0.024 0.000 2.614 1361 S HA 0.616 5.085 4.470 -0.001 0.000 0.265 1361 S C -0.398 174.237 174.600 0.058 0.000 1.303 1361 S CA -0.056 58.146 58.200 0.003 0.000 1.000 1361 S CB 1.559 64.736 63.200 -0.037 0.000 0.935 1361 S HN 0.815 nan 8.310 nan 0.000 0.551 1362 Y N 0.350 120.623 120.300 -0.044 0.000 2.492 1362 Y HA 0.633 5.182 4.550 -0.001 0.000 0.346 1362 Y C -1.464 174.458 175.900 0.037 0.000 0.997 1362 Y CA -0.924 57.171 58.100 -0.009 0.000 1.025 1362 Y CB 1.124 39.590 38.460 0.010 0.000 1.263 1362 Y HN 0.402 nan 8.280 nan 0.000 0.454 1363 V N 5.320 124.737 119.914 -0.829 0.000 2.733 1363 V HA 0.251 4.371 4.120 -0.001 0.000 0.306 1363 V C -0.596 175.080 176.094 -0.696 0.000 1.084 1363 V CA -1.362 60.604 62.300 -0.556 0.000 0.905 1363 V CB 1.866 33.579 31.823 -0.183 0.000 1.010 1363 V HN 0.867 nan 8.190 nan 0.000 0.424 1364 N N 1.908 120.402 118.700 -0.343 0.000 2.412 1364 N HA -0.049 4.691 4.740 -0.001 0.000 0.254 1364 N C 1.025 176.576 175.510 0.069 0.000 1.232 1364 N CA 0.317 53.318 53.050 -0.081 0.000 0.880 1364 N CB 0.324 38.824 38.487 0.021 0.000 1.076 1364 N HN 0.753 nan 8.380 nan 0.000 0.458 1365 Y N 4.597 124.951 120.300 0.089 0.000 2.139 1365 Y HA -0.366 4.184 4.550 -0.001 0.000 0.282 1365 Y C 2.303 178.228 175.900 0.042 0.000 1.179 1365 Y CA 2.207 60.409 58.100 0.170 0.000 1.161 1365 Y CB -0.120 38.445 38.460 0.175 0.000 0.970 1365 Y HN 0.717 nan 8.280 nan 0.000 0.511 1366 R N -0.518 120.019 120.500 0.061 0.000 2.139 1366 R HA -0.237 4.102 4.340 -0.001 0.000 0.243 1366 R C 1.666 177.824 176.300 -0.237 0.000 1.145 1366 R CA 2.025 58.007 56.100 -0.198 0.000 0.976 1366 R CB -1.297 28.753 30.300 -0.417 0.000 0.866 1366 R HN 0.498 nan 8.270 nan 0.000 0.449 1367 H N 0.696 119.764 119.070 -0.003 0.000 2.363 1367 H HA 0.055 4.611 4.556 -0.001 0.000 0.301 1367 H C 2.144 177.454 175.328 -0.030 0.000 1.074 1367 H CA 1.670 57.723 56.048 0.008 0.000 1.354 1367 H CB -0.184 29.580 29.762 0.003 0.000 1.397 1367 H HN 0.295 nan 8.280 nan 0.000 0.516 1368 M N 0.067 119.703 119.600 0.060 0.000 2.349 1368 M HA 0.058 4.537 4.480 -0.001 0.000 0.266 1368 M C 2.624 178.922 176.300 -0.004 0.000 1.076 1368 M CA 0.829 56.142 55.300 0.022 0.000 1.126 1368 M CB 0.063 32.669 32.600 0.011 0.000 1.392 1368 M HN 0.194 nan 8.290 nan 0.000 0.440 1369 A N 0.579 123.283 122.820 -0.195 0.000 1.930 1369 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 1369 A C 2.060 179.579 177.584 -0.108 0.000 1.175 1369 A CA 1.150 52.998 52.037 -0.316 0.000 0.627 1369 A CB -0.650 17.890 19.000 -0.767 0.000 0.815 1369 A HN 0.406 nan 8.150 nan 0.000 0.443 1370 L N -0.411 120.782 121.223 -0.050 0.000 2.017 1370 L HA -0.127 4.212 4.340 -0.001 0.000 0.208 1370 L C 2.287 179.169 176.870 0.020 0.000 1.073 1370 L CA 2.247 57.102 54.840 0.026 0.000 0.745 1370 L CB -0.822 41.296 42.059 0.099 0.000 0.894 1370 L HN 0.395 nan 8.230 nan 0.000 0.432 1371 L N -1.339 119.893 121.223 0.016 0.000 2.042 1371 L HA -0.153 4.186 4.340 -0.001 0.000 0.210 1371 L C 2.366 179.230 176.870 -0.010 0.000 1.076 1371 L CA 1.765 56.605 54.840 0.002 0.000 0.749 1371 L CB -0.688 41.365 42.059 -0.010 0.000 0.893 1371 L HN 0.090 nan 8.230 nan 0.000 0.432 1372 V N -0.030 119.879 119.914 -0.008 0.000 2.427 1372 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 1372 V C 2.164 178.258 176.094 0.001 0.000 1.051 1372 V CA 1.944 64.238 62.300 -0.009 0.000 1.048 1372 V CB -0.652 31.194 31.823 0.038 0.000 0.666 1372 V HN 0.517 nan 8.190 nan 0.000 0.456 1373 D N -0.307 120.096 120.400 0.005 0.000 2.117 1373 D HA -0.117 4.522 4.640 -0.001 0.000 0.198 1373 D C 2.165 178.474 176.300 0.015 0.000 0.982 1373 D CA 1.236 55.246 54.000 0.016 0.000 0.828 1373 D CB -0.379 40.433 40.800 0.020 0.000 0.967 1373 D HN 0.310 nan 8.370 nan 0.000 0.464 1374 V N 0.984 120.904 119.914 0.011 0.000 2.287 1374 V HA -0.244 3.875 4.120 -0.001 0.000 0.248 1374 V C 2.428 178.530 176.094 0.013 0.000 1.053 1374 V CA 1.408 63.714 62.300 0.010 0.000 1.027 1374 V CB -0.440 31.389 31.823 0.010 0.000 0.646 1374 V HN 0.219 nan 8.190 nan 0.000 0.447 1375 M N -0.694 118.912 119.600 0.010 0.000 2.549 1375 M HA -0.109 4.371 4.480 -0.001 0.000 0.260 1375 M C 1.622 177.939 176.300 0.027 0.000 1.076 1375 M CA 1.390 56.700 55.300 0.016 0.000 1.090 1375 M CB -0.248 32.346 32.600 -0.008 0.000 1.418 1375 M HN 0.350 nan 8.290 nan 0.000 0.486 1376 T N -1.502 113.067 114.554 0.025 0.000 2.975 1376 T HA 0.047 4.397 4.350 -0.001 0.000 0.257 1376 T C 1.525 176.247 174.700 0.038 0.000 1.003 1376 T CA 0.452 62.574 62.100 0.036 0.000 0.932 1376 T CB 0.199 69.090 68.868 0.037 0.000 1.087 1376 T HN 0.319 nan 8.240 nan 0.000 0.512 1377 T N 2.778 117.350 114.554 0.030 0.000 2.680 1377 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 1377 T C 1.368 176.087 174.700 0.031 0.000 1.033 1377 T CA 1.317 63.435 62.100 0.029 0.000 1.152 1377 T CB -0.363 68.514 68.868 0.014 0.000 0.859 1377 T HN 0.453 nan 8.240 nan 0.000 0.452 1378 Q N 0.903 120.719 119.800 0.027 0.000 2.294 1378 Q HA 0.417 4.757 4.340 -0.001 0.000 0.256 1378 Q C 1.424 177.443 176.000 0.032 0.000 0.907 1378 Q CA 0.072 55.891 55.803 0.026 0.000 0.954 1378 Q CB -0.192 28.556 28.738 0.016 0.000 1.102 1378 Q HN 0.628 nan 8.270 nan 0.000 0.429 1379 G N -0.227 108.597 108.800 0.039 0.000 2.186 1379 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.266 1379 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.266 1379 G C 0.334 175.262 174.900 0.047 0.000 0.982 1379 G CA 0.202 45.328 45.100 0.042 0.000 0.670 1379 G HN 0.613 nan 8.290 nan 0.000 0.533 1380 G N -1.629 107.202 108.800 0.050 0.000 2.949 1380 G HA2 0.655 4.614 3.960 -0.001 0.000 0.285 1380 G HA3 0.655 4.614 3.960 -0.001 0.000 0.285 1380 G C -0.724 174.222 174.900 0.076 0.000 1.395 1380 G CA -1.105 44.032 45.100 0.062 0.000 0.901 1380 G HN 0.606 nan 8.290 nan 0.000 0.519 1381 L N 1.779 123.064 121.223 0.102 0.000 2.360 1381 L HA 0.318 4.657 4.340 -0.001 0.000 0.265 1381 L C 0.028 176.981 176.870 0.139 0.000 1.066 1381 L CA -0.356 54.561 54.840 0.128 0.000 0.929 1381 L CB 0.883 43.060 42.059 0.197 0.000 1.306 1381 L HN 0.334 nan 8.230 nan 0.000 0.434 1382 T N 0.752 115.372 114.554 0.110 0.000 2.817 1382 T HA 0.232 4.581 4.350 -0.001 0.000 0.293 1382 T C 0.516 175.316 174.700 0.168 0.000 0.964 1382 T CA -0.518 61.667 62.100 0.142 0.000 1.085 1382 T CB 0.994 69.905 68.868 0.072 0.000 0.921 1382 T HN 0.514 nan 8.240 nan 0.000 0.502 1383 S N 2.030 117.893 115.700 0.272 0.000 2.593 1383 S HA 0.196 4.665 4.470 -0.001 0.000 0.269 1383 S C 1.436 176.106 174.600 0.116 0.000 1.334 1383 S CA -1.010 57.282 58.200 0.153 0.000 1.015 1383 S CB 0.890 64.121 63.200 0.052 0.000 0.912 1383 S HN 0.484 nan 8.310 nan 0.000 0.541 1384 V N -0.337 119.603 119.914 0.043 0.000 3.125 1384 V HA 0.032 4.152 4.120 -0.001 0.000 0.249 1384 V C 0.939 177.019 176.094 -0.023 0.000 1.113 1384 V CA 0.536 62.841 62.300 0.008 0.000 1.106 1384 V CB -0.851 30.957 31.823 -0.024 0.000 0.768 1384 V HN 0.894 nan 8.190 nan 0.000 0.468 1385 T N 4.253 118.788 114.554 -0.031 0.000 2.961 1385 T HA 0.189 4.539 4.350 -0.001 0.000 0.270 1385 T C 0.604 175.291 174.700 -0.023 0.000 0.926 1385 T CA -0.293 61.777 62.100 -0.051 0.000 1.112 1385 T CB -0.667 68.207 68.868 0.010 0.000 0.926 1385 T HN 0.742 nan 8.240 nan 0.000 0.612 1386 R N 1.731 122.214 120.500 -0.028 0.000 2.403 1386 R HA -0.287 4.053 4.340 -0.001 0.000 0.234 1386 R C 0.358 176.656 176.300 -0.004 0.000 0.807 1386 R CA 0.516 56.612 56.100 -0.007 0.000 0.615 1386 R CB -1.299 28.994 30.300 -0.011 0.000 1.559 1386 R HN 0.597 nan 8.270 nan 0.000 0.538 1387 H N 1.797 120.849 119.070 -0.031 0.000 2.284 1387 H HA 0.070 4.626 4.556 -0.001 0.000 0.304 1387 H C 1.166 176.490 175.328 -0.007 0.000 1.069 1387 H CA 1.918 57.959 56.048 -0.011 0.000 1.327 1387 H CB -0.293 29.485 29.762 0.028 0.000 1.387 1387 H HN 0.659 nan 8.280 nan 0.000 0.498 1388 G N -0.474 108.450 108.800 0.208 0.000 2.380 1388 G HA2 0.152 4.112 3.960 -0.001 0.000 0.262 1388 G HA3 0.152 4.112 3.960 -0.001 0.000 0.262 1388 G C 0.092 175.096 174.900 0.173 0.000 1.243 1388 G CA -0.505 44.714 45.100 0.198 0.000 0.865 1388 G HN 0.215 nan 8.290 nan 0.000 0.513 1389 F N 0.765 120.786 119.950 0.118 0.000 2.641 1389 F HA 0.036 4.563 4.527 -0.001 0.000 0.298 1389 F C 1.105 176.985 175.800 0.133 0.000 1.146 1389 F CA 0.454 58.540 58.000 0.144 0.000 1.464 1389 F CB 0.093 39.142 39.000 0.082 0.000 1.101 1389 F HN 0.243 nan 8.300 nan 0.000 0.585 1390 N N 0.574 119.407 118.700 0.222 0.000 2.549 1390 N HA 0.392 5.132 4.740 -0.001 0.000 0.281 1390 N C -0.263 175.308 175.510 0.102 0.000 1.084 1390 N CA -0.410 52.705 53.050 0.109 0.000 0.862 1390 N CB 1.847 40.328 38.487 -0.011 0.000 1.333 1390 N HN 0.080 nan 8.380 nan 0.000 0.523 1391 R N 0.011 120.588 120.500 0.128 0.000 4.039 1391 R HA -0.227 4.112 4.340 -0.001 0.000 0.385 1391 R C 0.346 176.683 176.300 0.063 0.000 0.241 1391 R CA 1.063 57.210 56.100 0.079 0.000 1.241 1391 R CB -1.516 28.808 30.300 0.041 0.000 1.110 1391 R HN 0.662 nan 8.270 nan 0.000 0.508 1392 S N -2.157 113.566 115.700 0.038 0.000 2.961 1392 S HA 0.184 4.654 4.470 -0.001 0.000 0.253 1392 S C 0.312 174.923 174.600 0.018 0.000 1.029 1392 S CA 0.189 58.406 58.200 0.028 0.000 1.087 1392 S CB 0.745 63.953 63.200 0.015 0.000 0.932 1392 S HN 0.658 nan 8.310 nan 0.000 0.418 1393 N N 1.700 120.408 118.700 0.014 0.000 3.262 1393 N HA 0.072 4.812 4.740 -0.001 0.000 0.168 1393 N C -0.502 175.014 175.510 0.010 0.000 1.135 1393 N CA 0.965 54.020 53.050 0.010 0.000 2.492 1393 N CB 0.977 39.468 38.487 0.007 0.000 1.319 1393 N HN 0.729 nan 8.380 nan 0.000 0.744 1394 T N -2.667 111.894 114.554 0.012 0.000 2.893 1394 T HA 0.842 5.191 4.350 -0.001 0.000 0.281 1394 T C 0.717 175.423 174.700 0.010 0.000 1.027 1394 T CA -0.523 61.584 62.100 0.013 0.000 0.953 1394 T CB 1.983 70.862 68.868 0.018 0.000 1.434 1394 T HN 0.049 nan 8.240 nan 0.000 0.597 1395 G N -1.532 107.276 108.800 0.013 0.000 2.498 1395 G HA2 0.596 4.555 3.960 -0.001 0.000 0.312 1395 G HA3 0.596 4.555 3.960 -0.001 0.000 0.312 1395 G C 0.809 175.707 174.900 -0.003 0.000 1.230 1395 G CA -0.452 44.656 45.100 0.014 0.000 0.968 1395 G HN 0.943 nan 8.290 nan 0.000 0.481 1396 A N 0.558 123.354 122.820 -0.041 0.000 1.883 1396 A HA 0.001 4.320 4.320 -0.001 0.000 0.217 1396 A C 2.160 179.722 177.584 -0.037 0.000 1.186 1396 A CA 1.107 53.073 52.037 -0.120 0.000 0.624 1396 A CB -0.526 18.252 19.000 -0.370 0.000 0.822 1396 A HN 0.532 nan 8.150 nan 0.000 0.444 1397 L N -0.895 120.370 121.223 0.070 0.000 2.622 1397 L HA -0.005 4.335 4.340 -0.001 0.000 0.233 1397 L C 1.955 178.854 176.870 0.049 0.000 1.156 1397 L CA -0.153 54.748 54.840 0.102 0.000 0.866 1397 L CB -0.331 41.828 42.059 0.166 0.000 0.980 1397 L HN 0.551 nan 8.230 nan 0.000 0.448 1398 M N -0.507 119.113 119.600 0.033 0.000 1.832 1398 M HA 0.041 4.521 4.480 -0.001 0.000 0.138 1398 M C 0.856 177.166 176.300 0.017 0.000 1.015 1398 M CA 0.049 55.362 55.300 0.022 0.000 1.028 1398 M CB 0.185 32.796 32.600 0.018 0.000 0.833 1398 M HN -0.104 nan 8.290 nan 0.000 0.523 1399 R N 1.116 121.624 120.500 0.015 0.000 2.486 1399 R HA -0.047 4.293 4.340 -0.001 0.000 0.303 1399 R C -0.945 175.370 176.300 0.025 0.000 0.958 1399 R CA 0.157 56.264 56.100 0.013 0.000 1.077 1399 R CB -0.672 29.632 30.300 0.007 0.000 0.921 1399 R HN 0.684 nan 8.270 nan 0.000 0.406 1400 C N 4.792 124.103 119.300 0.019 0.000 3.727 1400 C HA 0.027 4.487 4.460 -0.001 0.000 0.567 1400 C C 1.218 176.237 174.990 0.048 0.000 1.054 1400 C CA -0.308 58.725 59.018 0.027 0.000 1.087 1400 C CB -2.493 25.253 27.740 0.010 0.000 1.365 1400 C HN 0.649 nan 8.230 nan 0.000 0.635 1401 S N 0.754 116.510 115.700 0.094 0.000 2.585 1401 S HA 0.638 5.108 4.470 -0.001 0.000 0.273 1401 S C -0.328 174.448 174.600 0.293 0.000 1.339 1401 S CA -0.243 58.025 58.200 0.113 0.000 1.028 1401 S CB 0.245 63.548 63.200 0.172 0.000 0.906 1401 S HN 0.612 nan 8.310 nan 0.000 0.528 1402 F N -0.905 119.034 119.950 -0.018 0.000 2.147 1402 F HA -0.146 4.381 4.527 -0.001 0.000 0.427 1402 F C 1.167 176.950 175.800 -0.028 0.000 1.258 1402 F CA 0.377 58.366 58.000 -0.018 0.000 1.337 1402 F CB -0.604 38.385 39.000 -0.018 0.000 3.313 1402 F HN 0.804 nan 8.300 nan 0.000 0.555 1403 E N 0.695 120.980 120.200 0.142 0.000 2.472 1403 E HA -0.131 4.219 4.350 -0.001 0.000 0.200 1403 E C -0.178 176.450 176.600 0.047 0.000 1.046 1403 E CA 1.253 57.692 56.400 0.065 0.000 0.871 1403 E CB -0.056 29.670 29.700 0.042 0.000 0.806 1403 E HN 0.516 nan 8.360 nan 0.000 0.533 1404 E N -0.222 120.019 120.200 0.069 0.000 2.402 1404 E HA 0.156 4.506 4.350 -0.001 0.000 0.244 1404 E C -0.194 176.371 176.600 -0.057 0.000 0.945 1404 E CA -0.119 56.270 56.400 -0.018 0.000 0.774 1404 E CB 1.575 31.249 29.700 -0.042 0.000 1.296 1404 E HN -0.155 nan 8.360 nan 0.000 0.414 1405 T N 0.513 115.022 114.554 -0.075 0.000 3.054 1405 T HA -0.058 4.291 4.350 -0.001 0.000 0.259 1405 T C 1.894 176.465 174.700 -0.215 0.000 1.092 1405 T CA 0.265 62.302 62.100 -0.105 0.000 1.121 1405 T CB 0.230 69.060 68.868 -0.064 0.000 0.912 1405 T HN 0.166 nan 8.240 nan 0.000 0.489 1406 V N 2.144 121.896 119.914 -0.270 0.000 2.282 1406 V HA -0.239 3.881 4.120 -0.001 0.000 0.249 1406 V C 2.465 178.138 176.094 -0.701 0.000 1.057 1406 V CA 1.768 63.774 62.300 -0.490 0.000 1.032 1406 V CB -0.608 30.917 31.823 -0.497 0.000 0.645 1406 V HN 0.564 nan 8.190 nan 0.000 0.447 1407 E N -0.114 119.800 120.200 -0.477 0.000 2.160 1407 E HA -0.195 4.155 4.350 -0.001 0.000 0.195 1407 E C 2.095 178.523 176.600 -0.286 0.000 0.991 1407 E CA 1.513 57.701 56.400 -0.352 0.000 0.810 1407 E CB -0.232 29.340 29.700 -0.213 0.000 0.742 1407 E HN 0.625 nan 8.360 nan 0.000 0.466 1408 I N 0.670 121.065 120.570 -0.291 0.000 2.546 1408 I HA -0.212 3.958 4.170 -0.001 0.000 0.255 1408 I C 2.206 178.154 176.117 -0.281 0.000 1.163 1408 I CA 0.700 61.844 61.300 -0.260 0.000 1.457 1408 I CB -0.152 37.705 38.000 -0.238 0.000 1.092 1408 I HN 0.085 nan 8.210 nan 0.000 0.434 1409 L N -0.121 120.908 121.223 -0.322 0.000 2.109 1409 L HA -0.129 4.211 4.340 -0.001 0.000 0.207 1409 L C 2.501 179.313 176.870 -0.096 0.000 1.086 1409 L CA 1.407 56.066 54.840 -0.302 0.000 0.760 1409 L CB -0.472 41.429 42.059 -0.263 0.000 0.910 1409 L HN 0.160 nan 8.230 nan 0.000 0.437 1410 F N 0.086 119.933 119.950 -0.171 0.000 2.075 1410 F HA -0.234 4.293 4.527 -0.001 0.000 0.297 1410 F C 2.774 178.564 175.800 -0.017 0.000 1.113 1410 F CA 0.598 58.497 58.000 -0.168 0.000 1.218 1410 F CB -0.120 38.545 39.000 -0.558 0.000 0.984 1410 F HN 0.072 nan 8.300 nan 0.000 0.472 1411 E N 0.557 120.801 120.200 0.073 0.000 2.118 1411 E HA -0.222 4.128 4.350 -0.001 0.000 0.195 1411 E C 2.284 178.843 176.600 -0.068 0.000 0.992 1411 E CA 1.136 57.528 56.400 -0.013 0.000 0.804 1411 E CB -0.408 29.229 29.700 -0.105 0.000 0.741 1411 E HN 0.373 nan 8.360 nan 0.000 0.458 1412 A N 0.888 123.618 122.820 -0.150 0.000 1.902 1412 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 1412 A C 2.475 180.021 177.584 -0.063 0.000 1.181 1412 A CA 1.942 53.830 52.037 -0.248 0.000 0.623 1412 A CB -1.012 17.570 19.000 -0.697 0.000 0.818 1412 A HN 0.346 nan 8.150 nan 0.000 0.443 1413 G N -0.526 108.311 108.800 0.062 0.000 2.421 1413 G HA2 0.033 3.993 3.960 -0.001 0.000 0.216 1413 G HA3 0.033 3.993 3.960 -0.001 0.000 0.216 1413 G C 1.625 176.593 174.900 0.114 0.000 1.171 1413 G CA 1.228 46.440 45.100 0.186 0.000 0.775 1413 G HN 0.884 nan 8.290 nan 0.000 0.543 1414 A N -0.060 122.809 122.820 0.083 0.000 2.248 1414 A HA 0.310 4.630 4.320 -0.001 0.000 0.210 1414 A C 2.184 179.579 177.584 -0.316 0.000 1.174 1414 A CA 1.755 53.718 52.037 -0.125 0.000 0.750 1414 A CB -0.045 18.886 19.000 -0.115 0.000 0.780 1414 A HN 0.271 nan 8.150 nan 0.000 0.478 1415 S N -2.023 113.567 115.700 -0.183 0.000 2.632 1415 S HA 0.470 4.939 4.470 -0.001 0.000 0.237 1415 S C 0.801 175.372 174.600 -0.048 0.000 1.037 1415 S CA 0.445 58.518 58.200 -0.212 0.000 1.009 1415 S CB 0.477 63.553 63.200 -0.207 0.000 0.974 1415 S HN 1.664 nan 8.310 nan 0.000 0.544 1416 A N 2.139 124.981 122.820 0.036 0.000 2.800 1416 A HA -0.208 4.112 4.320 -0.001 0.000 0.292 1416 A C 0.144 177.757 177.584 0.048 0.000 1.474 1416 A CA 0.796 52.892 52.037 0.098 0.000 0.744 1416 A CB -2.123 17.031 19.000 0.257 0.000 1.044 1416 A HN 0.591 nan 8.150 nan 0.000 0.489 1417 E N -0.864 119.367 120.200 0.051 0.000 2.413 1417 E HA 0.330 4.679 4.350 -0.001 0.000 0.263 1417 E C -0.224 176.454 176.600 0.130 0.000 1.015 1417 E CA -0.351 56.080 56.400 0.052 0.000 0.916 1417 E CB 0.343 30.020 29.700 -0.038 0.000 0.947 1417 E HN 0.947 nan 8.360 nan 0.000 0.440 1418 L N 5.034 126.300 121.223 0.071 0.000 2.316 1418 L HA 0.343 4.683 4.340 -0.001 0.000 0.280 1418 L C -1.451 175.456 176.870 0.062 0.000 1.006 1418 L CA -0.497 54.365 54.840 0.037 0.000 0.836 1418 L CB 1.423 43.474 42.059 -0.013 0.000 1.221 1418 L HN 0.402 nan 8.230 nan 0.000 0.418 1419 D N 3.473 123.930 120.400 0.095 0.000 2.325 1419 D HA 0.173 4.813 4.640 -0.001 0.000 0.251 1419 D C 0.638 176.952 176.300 0.023 0.000 1.196 1419 D CA 0.134 54.185 54.000 0.086 0.000 0.866 1419 D CB 1.081 41.974 40.800 0.155 0.000 1.101 1419 D HN 0.518 nan 8.370 nan 0.000 0.476 1420 D N 1.407 121.821 120.400 0.022 0.000 2.264 1420 D HA -0.105 4.534 4.640 -0.001 0.000 0.208 1420 D C 0.447 176.752 176.300 0.008 0.000 0.966 1420 D CA 0.480 54.487 54.000 0.012 0.000 0.864 1420 D CB -0.011 40.799 40.800 0.018 0.000 0.933 1420 D HN 0.441 nan 8.370 nan 0.000 0.499 1421 C N 0.745 120.053 119.300 0.012 0.000 4.234 1421 C HA -0.143 4.316 4.460 -0.001 0.000 0.308 1421 C C 1.357 176.350 174.990 0.005 0.000 1.286 1421 C CA -0.161 58.860 59.018 0.006 0.000 2.102 1421 C CB -2.403 25.332 27.740 -0.009 0.000 1.311 1421 C HN 0.411 nan 8.230 nan 0.000 0.689 1422 R N -0.219 120.287 120.500 0.011 0.000 2.446 1422 R HA 0.231 4.571 4.340 -0.001 0.000 0.254 1422 R C 1.293 177.594 176.300 0.001 0.000 0.918 1422 R CA 0.597 56.702 56.100 0.010 0.000 1.069 1422 R CB 0.640 30.956 30.300 0.026 0.000 1.194 1422 R HN 0.634 nan 8.270 nan 0.000 0.534 1423 G N -0.057 108.745 108.800 0.003 0.000 2.537 1423 G HA2 0.239 4.199 3.960 -0.001 0.000 0.273 1423 G HA3 0.239 4.199 3.960 -0.001 0.000 0.273 1423 G C 0.976 175.872 174.900 -0.007 0.000 1.189 1423 G CA -0.608 44.492 45.100 -0.001 0.000 0.881 1423 G HN -0.124 nan 8.290 nan 0.000 0.535 1424 V N 0.647 120.554 119.914 -0.011 0.000 2.255 1424 V HA -0.149 3.970 4.120 -0.001 0.000 0.243 1424 V C 3.085 179.173 176.094 -0.010 0.000 1.038 1424 V CA 2.378 64.669 62.300 -0.014 0.000 1.008 1424 V CB -0.702 31.111 31.823 -0.018 0.000 0.645 1424 V HN 0.708 nan 8.190 nan 0.000 0.449 1425 S N 0.409 116.105 115.700 -0.006 0.000 2.359 1425 S HA -0.291 4.179 4.470 -0.001 0.000 0.223 1425 S C 1.847 176.449 174.600 0.003 0.000 1.039 1425 S CA 2.150 60.348 58.200 -0.002 0.000 1.042 1425 S CB -0.493 62.708 63.200 0.001 0.000 0.915 1425 S HN 0.830 nan 8.310 nan 0.000 0.439 1426 E N 1.504 121.709 120.200 0.008 0.000 2.118 1426 E HA -0.161 4.189 4.350 -0.001 0.000 0.195 1426 E C 1.591 178.193 176.600 0.004 0.000 0.992 1426 E CA 1.003 57.412 56.400 0.015 0.000 0.804 1426 E CB -0.381 29.333 29.700 0.023 0.000 0.741 1426 E HN 0.402 nan 8.360 nan 0.000 0.458 1427 N N 0.744 119.442 118.700 -0.003 0.000 2.409 1427 N HA -0.053 4.687 4.740 -0.001 0.000 0.179 1427 N C 1.918 177.422 175.510 -0.011 0.000 1.032 1427 N CA 0.563 53.606 53.050 -0.011 0.000 0.898 1427 N CB 0.277 38.754 38.487 -0.017 0.000 0.971 1427 N HN 0.058 nan 8.380 nan 0.000 0.441 1428 V N 1.954 121.863 119.914 -0.008 0.000 2.270 1428 V HA -0.173 3.946 4.120 -0.001 0.000 0.245 1428 V C 2.277 178.368 176.094 -0.005 0.000 1.043 1428 V CA 1.181 63.477 62.300 -0.007 0.000 1.014 1428 V CB -0.347 31.472 31.823 -0.006 0.000 0.645 1428 V HN 0.223 nan 8.190 nan 0.000 0.447 1429 I N -0.332 120.237 120.570 -0.002 0.000 2.335 1429 I HA -0.247 3.923 4.170 -0.001 0.000 0.251 1429 I C 2.073 178.187 176.117 -0.004 0.000 1.129 1429 I CA 1.583 62.883 61.300 -0.000 0.000 1.402 1429 I CB -0.325 37.680 38.000 0.007 0.000 1.069 1429 I HN 0.272 nan 8.210 nan 0.000 0.424 1430 L N 0.690 121.909 121.223 -0.008 0.000 2.599 1430 L HA 0.145 4.484 4.340 -0.001 0.000 0.230 1430 L C 1.352 178.213 176.870 -0.014 0.000 1.141 1430 L CA 0.338 55.170 54.840 -0.014 0.000 0.877 1430 L CB -0.423 41.624 42.059 -0.019 0.000 1.009 1430 L HN 0.496 nan 8.230 nan 0.000 0.447 1431 G N 0.860 109.653 108.800 -0.011 0.000 2.246 1431 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.273 1431 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.273 1431 G C -0.045 174.847 174.900 -0.013 0.000 1.055 1431 G CA 0.169 45.263 45.100 -0.010 0.000 0.851 1431 G HN 0.505 nan 8.290 nan 0.000 0.500 1432 Q N -0.979 118.812 119.800 -0.016 0.000 2.484 1432 Q HA 0.710 5.050 4.340 -0.001 0.000 0.285 1432 Q C 0.521 176.505 176.000 -0.027 0.000 1.097 1432 Q CA -1.190 54.600 55.803 -0.022 0.000 0.802 1432 Q CB 1.488 30.211 28.738 -0.025 0.000 1.444 1432 Q HN 0.566 nan 8.270 nan 0.000 0.429 1433 M N -0.258 119.320 119.600 -0.037 0.000 2.249 1433 M HA 0.731 5.211 4.480 -0.001 0.000 0.351 1433 M C -0.394 175.873 176.300 -0.054 0.000 1.180 1433 M CA -0.671 54.601 55.300 -0.047 0.000 1.127 1433 M CB 1.004 33.568 32.600 -0.061 0.000 1.546 1433 M HN 0.624 nan 8.290 nan 0.000 0.461 1434 A N 3.647 126.437 122.820 -0.051 0.000 2.407 1434 A HA 0.460 4.779 4.320 -0.001 0.000 0.248 1434 A C -2.027 175.516 177.584 -0.068 0.000 1.082 1434 A CA -1.442 50.566 52.037 -0.049 0.000 0.785 1434 A CB -0.604 18.373 19.000 -0.037 0.000 1.020 1434 A HN 0.745 nan 8.150 nan 0.000 0.489 1435 P HA 0.126 nan 4.420 nan 0.000 0.237 1435 P C -0.815 176.440 177.300 -0.076 0.000 1.701 1435 P CA 0.409 63.468 63.100 -0.067 0.000 0.955 1435 P CB -1.121 30.563 31.700 -0.026 0.000 1.937 1436 I N -4.220 116.297 120.570 -0.089 0.000 2.646 1436 I HA 0.752 4.922 4.170 -0.001 0.000 0.299 1436 I C 1.137 177.203 176.117 -0.085 0.000 1.036 1436 I CA -0.672 60.578 61.300 -0.084 0.000 1.074 1436 I CB 1.486 39.447 38.000 -0.064 0.000 1.258 1436 I HN 0.158 nan 8.210 nan 0.000 0.430 1437 G N 3.012 111.772 108.800 -0.067 0.000 2.693 1437 G HA2 -0.458 3.501 3.960 -0.001 0.000 0.354 1437 G HA3 -0.458 3.501 3.960 -0.001 0.000 0.354 1437 G C 1.076 175.982 174.900 0.010 0.000 1.207 1437 G CA 1.644 46.731 45.100 -0.021 0.000 0.958 1437 G HN 1.096 nan 8.290 nan 0.000 0.560 1438 T N 1.033 115.584 114.554 -0.006 0.000 2.897 1438 T HA 0.078 4.427 4.350 -0.001 0.000 0.271 1438 T C 2.075 176.506 174.700 -0.448 0.000 1.084 1438 T CA 2.212 64.283 62.100 -0.049 0.000 1.123 1438 T CB -0.716 68.147 68.868 -0.008 0.000 0.865 1438 T HN 1.361 nan 8.240 nan 0.000 0.496 1439 G N -0.647 107.943 108.800 -0.350 0.000 3.189 1439 G HA2 0.456 4.416 3.960 -0.001 0.000 0.225 1439 G HA3 0.456 4.416 3.960 -0.001 0.000 0.225 1439 G C 1.106 175.769 174.900 -0.396 0.000 1.159 1439 G CA 0.370 45.213 45.100 -0.429 0.000 0.763 1439 G HN 0.521 nan 8.290 nan 0.000 0.549 1440 A N 0.374 123.007 122.820 -0.311 0.000 2.265 1440 A HA 0.582 4.902 4.320 -0.001 0.000 0.213 1440 A C 0.159 177.852 177.584 0.182 0.000 1.255 1440 A CA -0.066 51.951 52.037 -0.034 0.000 0.862 1440 A CB -0.873 18.158 19.000 0.051 0.000 0.852 1440 A HN 0.723 nan 8.150 nan 0.000 0.484 1441 F N -4.175 115.822 119.950 0.078 0.000 2.770 1441 F HA 0.638 5.164 4.527 -0.001 0.000 0.313 1441 F C -1.525 174.287 175.800 0.021 0.000 1.154 1441 F CA -1.900 56.132 58.000 0.054 0.000 0.923 1441 F CB 0.505 39.545 39.000 0.067 0.000 1.301 1441 F HN -0.172 nan 8.300 nan 0.000 0.449 1442 D N 0.967 121.518 120.400 0.252 0.000 2.299 1442 D HA 0.640 5.280 4.640 -0.001 0.000 0.243 1442 D C -1.043 175.401 176.300 0.239 0.000 0.982 1442 D CA -0.331 53.756 54.000 0.146 0.000 0.924 1442 D CB 2.822 43.663 40.800 0.068 0.000 1.238 1442 D HN 0.454 nan 8.370 nan 0.000 0.484 1443 V N 2.204 122.215 119.914 0.161 0.000 2.448 1443 V HA 0.503 4.623 4.120 -0.001 0.000 0.295 1443 V C 0.054 176.193 176.094 0.075 0.000 1.025 1443 V CA -0.486 61.899 62.300 0.143 0.000 0.859 1443 V CB 1.395 33.310 31.823 0.153 0.000 0.988 1443 V HN 0.413 nan 8.190 nan 0.000 0.431 1444 M N 4.519 124.152 119.600 0.055 0.000 2.572 1444 M HA 0.605 5.085 4.480 -0.001 0.000 0.299 1444 M C -0.724 175.592 176.300 0.027 0.000 1.205 1444 M CA -0.627 54.694 55.300 0.035 0.000 0.876 1444 M CB 2.599 35.215 32.600 0.027 0.000 1.728 1444 M HN 0.337 nan 8.290 nan 0.000 0.458 1445 I N 1.345 121.929 120.570 0.023 0.000 2.692 1445 I HA -0.005 4.165 4.170 -0.001 0.000 0.284 1445 I C -0.042 176.083 176.117 0.013 0.000 1.159 1445 I CA 0.277 61.588 61.300 0.019 0.000 1.423 1445 I CB 0.295 38.306 38.000 0.018 0.000 1.380 1445 I HN 0.625 nan 8.210 nan 0.000 0.580 1446 D N 4.662 125.068 120.400 0.009 0.000 2.168 1446 D HA 0.219 4.858 4.640 -0.001 0.000 0.246 1446 D C -0.552 175.750 176.300 0.004 0.000 1.050 1446 D CA -0.349 53.654 54.000 0.004 0.000 0.857 1446 D CB 1.304 42.104 40.800 0.000 0.000 1.169 1446 D HN 0.381 nan 8.370 nan 0.000 0.453 1447 E N 2.252 122.454 120.200 0.003 0.000 3.167 1447 E HA 0.281 4.631 4.350 -0.001 0.000 0.212 1447 E C -0.572 176.028 176.600 0.000 0.000 1.143 1447 E CA -0.017 56.385 56.400 0.003 0.000 1.002 1447 E CB 0.268 29.970 29.700 0.004 0.000 1.315 1447 E HN 0.585 nan 8.360 nan 0.000 0.422 1448 E N -0.186 120.014 120.200 -0.001 0.000 2.701 1448 E HA 0.063 4.413 4.350 -0.001 0.000 0.201 1448 E C -0.373 176.226 176.600 -0.002 0.000 0.961 1448 E CA 0.171 56.570 56.400 -0.002 0.000 1.659 1448 E CB 0.318 30.015 29.700 -0.005 0.000 1.970 1448 E HN 0.276 nan 8.360 nan 0.000 1.021 1449 S N 2.864 118.563 115.700 -0.002 0.000 2.506 1449 S HA 0.166 4.635 4.470 -0.001 0.000 0.291 1449 S C 0.512 175.112 174.600 0.000 0.000 1.230 1449 S CA -0.016 58.183 58.200 -0.001 0.000 1.107 1449 S CB 0.083 63.283 63.200 -0.001 0.000 0.942 1449 S HN 0.109 nan 8.310 nan 0.000 0.502 1450 L N 0.000 121.223 121.223 -0.000 0.000 2.949 1450 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 1450 L CA 0.000 54.840 54.840 0.000 0.000 0.813 1450 L CB 0.000 42.059 42.059 0.000 0.000 0.961 1450 L HN 0.000 nan 8.230 nan 0.000 0.502