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 3i4m_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 XKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLLDEXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRPKXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.087 176.094 -0.012 0.000 1.182 2 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 2 V CB 0.000 31.812 31.823 -0.018 0.000 1.184 3 G N 3.696 112.489 108.800 -0.012 0.000 2.234 3 G HA2 -0.051 3.908 3.960 -0.000 0.000 0.153 3 G HA3 -0.051 3.908 3.960 -0.000 0.000 0.153 3 G C 0.055 174.949 174.900 -0.011 0.000 1.013 3 G CA 0.482 45.574 45.100 -0.013 0.000 0.712 3 G HN 1.450 nan 8.290 nan 0.000 0.491 4 Q N -0.920 118.875 119.800 -0.008 0.000 0.605 4 Q HA -0.226 4.114 4.340 -0.000 0.000 0.335 4 Q C 0.276 176.280 176.000 0.006 0.000 1.095 4 Q CA 1.460 57.261 55.803 -0.004 0.000 0.224 4 Q CB -0.360 28.369 28.738 -0.014 0.000 5.584 4 Q HN 1.072 nan 8.270 nan 0.000 0.326 5 Q N -0.405 119.405 119.800 0.016 0.000 2.779 5 Q HA -0.225 4.115 4.340 -0.000 0.000 0.160 5 Q C -1.133 174.898 176.000 0.052 0.000 1.477 5 Q CA 0.521 56.340 55.803 0.027 0.000 0.547 5 Q CB -0.334 28.401 28.738 -0.006 0.000 0.695 5 Q HN 0.453 nan 8.270 nan 0.000 0.316 6 Y N 3.057 123.344 120.300 -0.023 0.000 2.578 6 Y HA 0.317 4.866 4.550 -0.000 0.000 0.339 6 Y C -0.170 175.721 175.900 -0.016 0.000 1.231 6 Y CA 0.649 58.737 58.100 -0.020 0.000 1.461 6 Y CB 0.871 39.320 38.460 -0.019 0.000 1.323 6 Y HN 0.425 nan 8.280 nan 0.000 0.590 7 S N 2.523 117.856 115.700 -0.613 0.000 2.614 7 S HA 0.292 4.762 4.470 -0.000 0.000 0.288 7 S C 0.268 174.456 174.600 -0.687 0.000 1.137 7 S CA -0.300 57.477 58.200 -0.705 0.000 0.992 7 S CB 1.041 64.087 63.200 -0.258 0.000 1.026 7 S HN 1.060 nan 8.310 nan 0.000 0.486 8 S N 1.985 117.273 115.700 -0.688 0.000 2.626 8 S HA 0.068 4.538 4.470 -0.000 0.000 0.245 8 S C 0.941 175.534 174.600 -0.012 0.000 0.973 8 S CA 0.089 58.210 58.200 -0.131 0.000 0.959 8 S CB -1.003 62.159 63.200 -0.063 0.000 0.762 8 S HN 1.417 nan 8.310 nan 0.000 0.539 9 A N 3.952 126.736 122.820 -0.059 0.000 2.473 9 A HA 0.401 4.721 4.320 -0.000 0.000 0.282 9 A C -1.464 176.134 177.584 0.023 0.000 1.163 9 A CA -1.351 50.674 52.037 -0.020 0.000 0.827 9 A CB -0.397 18.581 19.000 -0.038 0.000 1.098 9 A HN 0.491 nan 8.150 nan 0.000 0.515 10 P HA 0.180 nan 4.420 nan 0.000 0.261 10 P C -0.681 176.629 177.300 0.017 0.000 1.183 10 P CA 0.074 63.192 63.100 0.029 0.000 0.761 10 P CB 0.428 32.139 31.700 0.018 0.000 0.785 11 L N 3.010 124.246 121.223 0.020 0.000 2.331 11 L HA 0.710 5.050 4.340 -0.000 0.000 0.275 11 L C 0.093 176.963 176.870 -0.000 0.000 1.022 11 L CA -0.440 54.404 54.840 0.008 0.000 0.812 11 L CB 1.651 43.718 42.059 0.013 0.000 1.257 11 L HN 0.340 nan 8.230 nan 0.000 0.435 12 R N 0.399 120.893 120.500 -0.010 0.000 3.041 12 R HA 0.764 5.104 4.340 -0.000 0.000 0.254 12 R C -0.938 175.349 176.300 -0.022 0.000 1.244 12 R CA -0.434 55.657 56.100 -0.014 0.000 1.023 12 R CB 1.490 31.780 30.300 -0.015 0.000 1.332 12 R HN 0.822 nan 8.270 nan 0.000 0.463 13 T N -1.411 113.128 114.554 -0.025 0.000 2.918 13 T HA 0.470 4.819 4.350 -0.000 0.000 0.286 13 T C 0.014 174.693 174.700 -0.036 0.000 1.026 13 T CA -0.784 61.297 62.100 -0.031 0.000 1.031 13 T CB 1.662 70.512 68.868 -0.031 0.000 1.046 13 T HN 0.145 nan 8.240 nan 0.000 0.479 14 V N 3.723 123.611 119.914 -0.043 0.000 2.508 14 V HA 0.203 4.323 4.120 -0.000 0.000 0.281 14 V C 0.987 177.054 176.094 -0.045 0.000 1.041 14 V CA -0.195 62.074 62.300 -0.052 0.000 1.016 14 V CB 0.621 32.407 31.823 -0.062 0.000 0.984 14 V HN 0.878 nan 8.190 nan 0.000 0.478 15 K N 2.942 123.316 120.400 -0.043 0.000 2.273 15 K HA 0.288 4.608 4.320 -0.000 0.000 0.206 15 K C 0.390 176.970 176.600 -0.033 0.000 1.072 15 K CA 0.395 56.662 56.287 -0.033 0.000 0.953 15 K CB 0.601 33.087 32.500 -0.024 0.000 1.043 15 K HN 0.663 nan 8.250 nan 0.000 0.477 16 E N 1.161 121.335 120.200 -0.044 0.000 2.212 16 E HA 0.406 4.756 4.350 -0.000 0.000 0.270 16 E C -1.039 175.500 176.600 -0.101 0.000 0.956 16 E CA -0.691 55.680 56.400 -0.049 0.000 0.825 16 E CB 2.682 32.361 29.700 -0.036 0.000 1.167 16 E HN -0.248 nan 8.360 nan 0.000 0.400 17 V N 2.715 122.554 119.914 -0.125 0.000 2.447 17 V HA 0.131 4.251 4.120 -0.000 0.000 0.292 17 V C -0.663 175.201 176.094 -0.383 0.000 1.021 17 V CA -0.745 61.385 62.300 -0.283 0.000 0.850 17 V CB 1.518 33.189 31.823 -0.253 0.000 1.005 17 V HN 0.555 nan 8.190 nan 0.000 0.426 18 Q N 3.991 123.517 119.800 -0.457 0.000 2.368 18 Q HA 0.488 4.828 4.340 -0.000 0.000 0.256 18 Q C -1.082 174.584 176.000 -0.557 0.000 0.980 18 Q CA -0.201 55.375 55.803 -0.378 0.000 0.887 18 Q CB 1.502 30.059 28.738 -0.303 0.000 1.221 18 Q HN 0.601 nan 8.270 nan 0.000 0.458 19 F N 0.718 120.610 119.950 -0.097 0.000 2.394 19 F HA 0.620 5.147 4.527 -0.000 0.000 0.340 19 F C 1.179 176.925 175.800 -0.090 0.000 1.105 19 F CA 0.026 57.967 58.000 -0.098 0.000 1.124 19 F CB 1.564 40.540 39.000 -0.039 0.000 1.145 19 F HN 0.529 nan 8.300 nan 0.000 0.505 20 G N 2.243 111.055 108.800 0.019 0.000 2.947 20 G HA2 0.780 4.740 3.960 -0.000 0.000 0.293 20 G HA3 0.780 4.740 3.960 -0.000 0.000 0.293 20 G C -1.888 172.998 174.900 -0.023 0.000 1.243 20 G CA -0.889 44.199 45.100 -0.020 0.000 0.802 20 G HN 0.477 nan 8.290 nan 0.000 0.560 21 L N -0.005 121.137 121.223 -0.136 0.000 2.505 21 L HA 0.438 4.778 4.340 -0.000 0.000 0.266 21 L C -0.965 175.613 176.870 -0.487 0.000 0.954 21 L CA -0.600 54.181 54.840 -0.098 0.000 0.852 21 L CB 2.409 44.577 42.059 0.182 0.000 1.282 21 L HN 0.426 nan 8.230 nan 0.000 0.403 22 F N 1.242 120.979 119.950 -0.356 0.000 2.595 22 F HA 0.079 4.606 4.527 -0.000 0.000 0.359 22 F C 1.191 176.494 175.800 -0.828 0.000 1.147 22 F CA 0.465 58.177 58.000 -0.480 0.000 1.341 22 F CB 0.943 39.797 39.000 -0.243 0.000 1.104 22 F HN 0.498 nan 8.300 nan 0.000 0.603 23 S N 3.120 118.504 115.700 -0.527 0.000 2.442 23 S HA 0.361 4.831 4.470 -0.000 0.000 0.297 23 S C -2.087 172.596 174.600 0.139 0.000 1.131 23 S CA -1.507 56.533 58.200 -0.267 0.000 1.092 23 S CB 1.792 65.119 63.200 0.211 0.000 0.998 23 S HN 0.308 nan 8.310 nan 0.000 0.478 24 P HA -0.248 nan 4.420 nan 0.000 0.222 24 P C 0.979 178.373 177.300 0.158 0.000 1.155 24 P CA 1.752 64.956 63.100 0.173 0.000 0.890 24 P CB 0.045 31.857 31.700 0.187 0.000 0.790 25 E N -0.561 119.753 120.200 0.190 0.000 2.038 25 E HA -0.220 4.129 4.350 -0.000 0.000 0.195 25 E C 2.045 178.720 176.600 0.125 0.000 1.000 25 E CA 1.461 57.953 56.400 0.154 0.000 0.803 25 E CB -0.915 28.887 29.700 0.170 0.000 0.750 25 E HN 0.427 nan 8.360 nan 0.000 0.448 26 E N 0.706 120.990 120.200 0.141 0.000 2.033 26 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 26 E C 2.019 178.690 176.600 0.118 0.000 1.011 26 E CA 1.951 58.435 56.400 0.139 0.000 0.815 26 E CB -0.137 29.668 29.700 0.175 0.000 0.755 26 E HN 0.081 nan 8.360 nan 0.000 0.451 27 V N 0.863 120.836 119.914 0.097 0.000 2.363 27 V HA -0.353 3.767 4.120 -0.000 0.000 0.254 27 V C 2.579 178.670 176.094 -0.005 0.000 1.074 27 V CA 2.459 64.710 62.300 -0.081 0.000 1.069 27 V CB -0.699 31.064 31.823 -0.102 0.000 0.659 27 V HN 0.300 nan 8.190 nan 0.000 0.455 28 R N -0.385 120.145 120.500 0.050 0.000 2.056 28 R HA -0.061 4.279 4.340 -0.000 0.000 0.227 28 R C 2.463 178.715 176.300 -0.081 0.000 1.149 28 R CA 1.472 57.566 56.100 -0.010 0.000 0.937 28 R CB -0.698 29.650 30.300 0.081 0.000 0.835 28 R HN 0.454 nan 8.270 nan 0.000 0.430 29 A N 1.377 124.191 122.820 -0.011 0.000 1.870 29 A HA -0.275 4.045 4.320 -0.000 0.000 0.219 29 A C 2.212 179.777 177.584 -0.032 0.000 1.224 29 A CA 2.142 54.170 52.037 -0.014 0.000 0.650 29 A CB -1.050 17.962 19.000 0.020 0.000 0.836 29 A HN 0.440 nan 8.150 nan 0.000 0.454 30 I N -0.227 120.336 120.570 -0.011 0.000 2.145 30 I HA -0.208 3.962 4.170 -0.000 0.000 0.244 30 I C 1.636 177.741 176.117 -0.019 0.000 1.075 30 I CA 1.107 62.402 61.300 -0.008 0.000 1.332 30 I CB -0.393 37.608 38.000 0.001 0.000 1.033 30 I HN 0.368 nan 8.210 nan 0.000 0.410 31 S N -0.216 115.446 115.700 -0.063 0.000 2.558 31 S HA 0.030 4.500 4.470 -0.000 0.000 0.288 31 S C 0.938 175.473 174.600 -0.108 0.000 1.318 31 S CA 0.190 58.337 58.200 -0.088 0.000 1.056 31 S CB 1.286 64.333 63.200 -0.255 0.000 0.853 31 S HN 0.251 nan 8.310 nan 0.000 0.505 32 V N 2.797 122.681 119.914 -0.050 0.000 3.379 32 V HA 0.631 4.750 4.120 -0.000 0.000 0.249 32 V C 0.577 176.638 176.094 -0.055 0.000 1.184 32 V CA 0.634 62.899 62.300 -0.058 0.000 1.106 32 V CB -0.501 31.296 31.823 -0.044 0.000 0.826 32 V HN 0.909 nan 8.190 nan 0.000 0.465 33 A N 0.697 123.502 122.820 -0.025 0.000 2.292 33 A HA 0.729 5.049 4.320 -0.000 0.000 0.319 33 A C 0.582 178.227 177.584 0.103 0.000 1.206 33 A CA -0.517 51.527 52.037 0.013 0.000 0.835 33 A CB 1.404 20.415 19.000 0.017 0.000 1.164 33 A HN 0.251 nan 8.150 nan 0.000 0.505 34 K N 1.508 121.972 120.400 0.105 0.000 2.366 34 K HA 0.142 4.462 4.320 -0.000 0.000 0.198 34 K C 0.410 177.117 176.600 0.178 0.000 1.044 34 K CA 0.134 56.557 56.287 0.227 0.000 0.973 34 K CB -0.275 32.304 32.500 0.133 0.000 0.767 34 K HN 0.688 nan 8.250 nan 0.000 0.475 35 I N 1.786 122.416 120.570 0.099 0.000 4.891 35 I HA -0.377 3.793 4.170 -0.000 0.000 0.126 35 I C 0.856 177.017 176.117 0.073 0.000 1.208 35 I CA 0.648 61.981 61.300 0.054 0.000 2.657 35 I CB -0.993 37.024 38.000 0.028 0.000 1.997 35 I HN 0.305 nan 8.210 nan 0.000 0.324 36 R N 2.589 123.191 120.500 0.171 0.000 2.140 36 R HA 0.194 4.534 4.340 -0.000 0.000 0.200 36 R C 0.472 176.976 176.300 0.340 0.000 1.069 36 R CA 0.363 56.620 56.100 0.262 0.000 1.088 36 R CB 0.362 30.884 30.300 0.369 0.000 1.012 36 R HN 0.195 nan 8.270 nan 0.000 0.500 37 F N 1.914 121.851 119.950 -0.021 0.000 2.429 37 F HA 0.209 4.736 4.527 -0.000 0.000 0.348 37 F C -1.301 174.485 175.800 -0.023 0.000 1.109 37 F CA -2.890 55.098 58.000 -0.020 0.000 1.232 37 F CB 0.470 39.461 39.000 -0.015 0.000 1.157 37 F HN -0.014 nan 8.300 nan 0.000 0.564 38 P HA -0.053 nan 4.420 nan 0.000 0.220 38 P C -0.279 177.071 177.300 0.083 0.000 1.154 38 P CA 0.500 63.644 63.100 0.072 0.000 0.830 38 P CB 0.019 31.735 31.700 0.027 0.000 0.803 39 E N 0.524 120.786 120.200 0.104 0.000 2.534 39 E HA -0.029 4.320 4.350 -0.000 0.000 0.264 39 E C 0.502 177.155 176.600 0.088 0.000 0.981 39 E CA 0.264 56.721 56.400 0.094 0.000 0.948 39 E CB -0.298 29.470 29.700 0.113 0.000 0.934 39 E HN 0.008 nan 8.360 nan 0.000 0.459 40 T N 2.696 117.295 114.554 0.075 0.000 2.570 40 T HA -0.243 4.107 4.350 -0.000 0.000 0.266 40 T C 1.004 175.721 174.700 0.028 0.000 1.071 40 T CA 2.596 64.729 62.100 0.055 0.000 1.172 40 T CB -0.310 68.593 68.868 0.059 0.000 0.864 40 T HN 0.762 nan 8.240 nan 0.000 0.421 41 M N -1.720 117.898 119.600 0.031 0.000 1.429 41 M HA 0.375 4.855 4.480 -0.000 0.000 0.569 41 M C -1.550 174.761 176.300 0.019 0.000 2.224 41 M CA -0.481 54.823 55.300 0.007 0.000 0.521 41 M CB -0.412 32.176 32.600 -0.021 0.000 4.348 41 M HN -0.090 nan 8.290 nan 0.000 0.418 42 D N 2.150 122.553 120.400 0.005 0.000 4.867 42 D HA -0.092 4.548 4.640 -0.000 0.000 0.238 42 D C -0.891 175.418 176.300 0.015 0.000 1.114 42 D CA 1.191 55.197 54.000 0.010 0.000 1.283 42 D CB 0.005 40.818 40.800 0.020 0.000 0.739 42 D HN 0.626 nan 8.370 nan 0.000 0.371 43 E N 2.545 122.747 120.200 0.004 0.000 2.847 43 E HA 0.045 4.395 4.350 -0.000 0.000 0.290 43 E C 0.182 176.796 176.600 0.022 0.000 1.103 43 E CA 0.659 57.064 56.400 0.008 0.000 1.173 43 E CB -0.643 29.057 29.700 -0.001 0.000 1.045 43 E HN 0.458 nan 8.360 nan 0.000 0.461 44 T N 2.074 116.649 114.554 0.035 0.000 2.713 44 T HA -0.287 4.063 4.350 -0.000 0.000 0.482 44 T C 0.624 175.338 174.700 0.023 0.000 0.789 44 T CA 1.019 63.140 62.100 0.035 0.000 2.526 44 T CB -1.076 67.815 68.868 0.037 0.000 1.658 44 T HN 0.790 nan 8.240 nan 0.000 0.523 45 Q N -2.092 117.721 119.800 0.022 0.000 3.458 45 Q HA -0.201 4.139 4.340 -0.000 0.000 0.210 45 Q C 0.535 176.543 176.000 0.013 0.000 2.737 45 Q CA 2.016 57.829 55.803 0.017 0.000 0.294 45 Q CB -1.818 26.929 28.738 0.015 0.000 0.233 45 Q HN 0.772 nan 8.270 nan 0.000 0.500 46 T N 3.453 118.014 114.554 0.011 0.000 2.792 46 T HA 0.114 4.464 4.350 -0.000 0.000 0.286 46 T C 0.208 174.910 174.700 0.004 0.000 0.970 46 T CA 0.256 62.360 62.100 0.007 0.000 1.187 46 T CB 0.181 69.052 68.868 0.005 0.000 0.915 46 T HN 0.113 nan 8.240 nan 0.000 0.529 47 R N 2.184 122.686 120.500 0.003 0.000 2.489 47 R HA 0.467 4.807 4.340 -0.000 0.000 0.287 47 R C 0.592 176.888 176.300 -0.006 0.000 1.053 47 R CA 0.146 56.246 56.100 0.000 0.000 1.036 47 R CB 0.322 30.623 30.300 0.002 0.000 0.966 47 R HN 0.880 nan 8.270 nan 0.000 0.432 48 A N 2.694 125.508 122.820 -0.010 0.000 5.135 48 A HA 0.231 4.550 4.320 -0.000 0.000 0.139 48 A C -1.523 176.047 177.584 -0.024 0.000 1.111 48 A CA -0.763 51.263 52.037 -0.019 0.000 1.215 48 A CB 0.625 19.613 19.000 -0.021 0.000 1.926 48 A HN 0.522 nan 8.150 nan 0.000 0.927 49 K N 0.110 120.489 120.400 -0.036 0.000 2.535 49 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 49 K C -1.423 175.131 176.600 -0.077 0.000 0.942 49 K CA -0.426 55.832 56.287 -0.048 0.000 0.798 49 K CB 2.315 34.784 32.500 -0.052 0.000 1.267 49 K HN 0.538 nan 8.250 nan 0.000 0.434 50 I N 1.491 122.005 120.570 -0.094 0.000 2.529 50 I HA 0.063 4.232 4.170 -0.000 0.000 0.284 50 I C 1.233 177.173 176.117 -0.294 0.000 1.082 50 I CA -0.010 61.182 61.300 -0.180 0.000 1.406 50 I CB 1.007 38.907 38.000 -0.165 0.000 1.405 50 I HN 0.818 nan 8.210 nan 0.000 0.548 51 G N 4.690 113.279 108.800 -0.352 0.000 2.819 51 G HA2 0.265 4.225 3.960 -0.000 0.000 0.272 51 G HA3 0.265 4.225 3.960 -0.000 0.000 0.272 51 G C 0.616 175.147 174.900 -0.614 0.000 0.701 51 G CA 0.390 45.280 45.100 -0.350 0.000 2.095 51 G HN 0.990 nan 8.290 nan 0.000 0.577 52 G N 0.629 109.129 108.800 -0.500 0.000 2.522 52 G HA2 0.413 4.373 3.960 -0.000 0.000 0.177 52 G HA3 0.413 4.373 3.960 -0.000 0.000 0.177 52 G C -0.043 174.795 174.900 -0.103 0.000 1.298 52 G CA -0.101 44.724 45.100 -0.459 0.000 0.670 52 G HN 0.546 nan 8.290 nan 0.000 0.664 53 L N -0.131 121.057 121.223 -0.057 0.000 2.327 53 L HA 0.664 5.004 4.340 -0.000 0.000 0.258 53 L C -0.972 175.869 176.870 -0.048 0.000 1.024 53 L CA -0.760 54.063 54.840 -0.028 0.000 0.825 53 L CB 2.121 44.185 42.059 0.007 0.000 1.386 53 L HN 0.395 nan 8.230 nan 0.000 0.417 54 N N 2.747 121.416 118.700 -0.051 0.000 2.498 54 N HA -0.247 4.493 4.740 -0.000 0.000 0.297 54 N C -0.466 175.010 175.510 -0.057 0.000 1.338 54 N CA 1.497 54.513 53.050 -0.056 0.000 0.681 54 N CB -0.681 37.778 38.487 -0.046 0.000 0.952 54 N HN 0.866 nan 8.380 nan 0.000 0.524 55 D N 0.328 120.696 120.400 -0.054 0.000 2.718 55 D HA -0.129 4.511 4.640 -0.000 0.000 0.242 55 D C -2.084 174.178 176.300 -0.063 0.000 1.123 55 D CA 0.780 54.752 54.000 -0.047 0.000 0.690 55 D CB -0.039 40.737 40.800 -0.040 0.000 1.059 55 D HN 0.541 nan 8.370 nan 0.000 0.429 56 P HA 0.178 nan 4.420 nan 0.000 0.253 56 P C 0.349 177.606 177.300 -0.072 0.000 1.281 56 P CA 0.470 63.511 63.100 -0.098 0.000 0.792 56 P CB 0.419 32.053 31.700 -0.110 0.000 1.193 57 R N -4.099 116.370 120.500 -0.052 0.000 1.769 57 R HA 0.064 4.404 4.340 -0.000 0.000 0.030 57 R C 0.439 176.727 176.300 -0.020 0.000 0.820 57 R CA -0.132 55.939 56.100 -0.047 0.000 3.450 57 R CB -1.042 29.224 30.300 -0.057 0.000 0.830 57 R HN -0.044 nan 8.270 nan 0.000 0.571 58 L N 1.453 122.684 121.223 0.013 0.000 2.342 58 L HA 0.076 4.416 4.340 -0.000 0.000 0.258 58 L C 1.427 178.361 176.870 0.107 0.000 1.284 58 L CA 0.729 55.623 54.840 0.091 0.000 0.811 58 L CB -0.442 41.636 42.059 0.033 0.000 1.070 58 L HN 0.284 nan 8.230 nan 0.000 0.625 59 G N -0.401 108.482 108.800 0.138 0.000 2.818 59 G HA2 0.262 4.222 3.960 -0.000 0.000 0.235 59 G HA3 0.262 4.222 3.960 -0.000 0.000 0.235 59 G C 0.093 175.007 174.900 0.024 0.000 1.244 59 G CA 0.219 45.372 45.100 0.089 0.000 0.853 59 G HN 0.914 nan 8.290 nan 0.000 0.596 60 S N -0.602 115.104 115.700 0.010 0.000 2.715 60 S HA 0.778 5.248 4.470 -0.000 0.000 0.307 60 S C -0.215 174.370 174.600 -0.024 0.000 1.119 60 S CA -0.992 57.200 58.200 -0.013 0.000 0.937 60 S CB 1.611 64.805 63.200 -0.011 0.000 1.150 60 S HN 0.539 nan 8.310 nan 0.000 0.521 61 I N 0.675 121.228 120.570 -0.030 0.000 2.982 61 I HA 0.464 4.634 4.170 -0.000 0.000 0.312 61 I C -0.624 175.477 176.117 -0.027 0.000 1.041 61 I CA -0.600 60.680 61.300 -0.034 0.000 1.053 61 I CB 1.052 39.028 38.000 -0.041 0.000 1.248 61 I HN 0.886 nan 8.210 nan 0.000 0.471 62 D N 3.386 123.770 120.400 -0.026 0.000 4.044 62 D HA -0.178 4.462 4.640 -0.000 0.000 0.242 62 D C 0.113 176.402 176.300 -0.018 0.000 1.076 62 D CA 0.153 54.141 54.000 -0.021 0.000 1.171 62 D CB 0.041 40.830 40.800 -0.018 0.000 0.866 62 D HN 0.757 nan 8.370 nan 0.000 0.413 63 R N 1.512 122.001 120.500 -0.018 0.000 2.114 63 R HA -0.207 4.133 4.340 -0.000 0.000 0.164 63 R C -0.850 175.440 176.300 -0.016 0.000 0.443 63 R CA 0.949 57.038 56.100 -0.017 0.000 0.438 63 R CB -0.908 29.382 30.300 -0.017 0.000 1.627 63 R HN 0.287 nan 8.270 nan 0.000 0.550 64 N N 2.786 121.476 118.700 -0.016 0.000 2.571 64 N HA 0.143 4.882 4.740 -0.000 0.000 0.286 64 N C 1.052 176.555 175.510 -0.013 0.000 1.138 64 N CA -0.589 52.452 53.050 -0.015 0.000 0.859 64 N CB 1.310 39.787 38.487 -0.016 0.000 1.414 64 N HN 0.250 nan 8.380 nan 0.000 0.529 65 L N 1.114 122.329 121.223 -0.014 0.000 2.040 65 L HA -0.266 4.074 4.340 -0.000 0.000 0.228 65 L C 0.839 177.702 176.870 -0.011 0.000 1.092 65 L CA 1.671 56.504 54.840 -0.012 0.000 0.805 65 L CB -0.341 41.709 42.059 -0.015 0.000 0.905 65 L HN 0.405 nan 8.230 nan 0.000 0.443 66 K N -0.221 120.170 120.400 -0.015 0.000 2.547 66 K HA -0.176 4.144 4.320 -0.000 0.000 0.275 66 K C -0.067 176.525 176.600 -0.013 0.000 1.001 66 K CA 0.861 57.137 56.287 -0.018 0.000 1.111 66 K CB 0.014 32.501 32.500 -0.021 0.000 0.832 66 K HN 0.502 nan 8.250 nan 0.000 0.485 67 C N 3.477 122.766 119.300 -0.018 0.000 2.218 67 C HA -0.003 4.457 4.460 -0.000 0.000 0.362 67 C C -1.135 173.825 174.990 -0.051 0.000 0.682 67 C CA -0.487 58.526 59.018 -0.008 0.000 0.742 67 C CB -1.291 26.469 27.740 0.034 0.000 1.282 67 C HN 1.047 nan 8.230 nan 0.000 0.735 68 Q N 1.851 121.612 119.800 -0.065 0.000 2.439 68 Q HA -0.201 4.139 4.340 -0.000 0.000 0.361 68 Q C 0.774 176.714 176.000 -0.099 0.000 1.408 68 Q CA 1.614 57.361 55.803 -0.093 0.000 1.052 68 Q CB -2.326 26.331 28.738 -0.135 0.000 1.233 68 Q HN 1.270 nan 8.270 nan 0.000 0.347 69 T N -2.413 112.102 114.554 -0.066 0.000 12.278 69 T HA -0.484 3.866 4.350 -0.000 0.000 0.418 69 T C 1.567 176.238 174.700 -0.048 0.000 1.446 69 T CA 2.680 64.747 62.100 -0.054 0.000 2.394 69 T CB -1.840 66.995 68.868 -0.056 0.000 2.852 69 T HN 1.240 nan 8.240 nan 0.000 0.835 70 C N 3.839 123.099 119.300 -0.067 0.000 2.406 70 C HA -0.267 4.193 4.460 -0.000 0.000 0.288 70 C C 2.023 177.010 174.990 -0.005 0.000 1.193 70 C CA 2.894 61.890 59.018 -0.037 0.000 1.872 70 C CB -2.178 25.537 27.740 -0.041 0.000 2.143 70 C HN 1.033 nan 8.230 nan 0.000 0.507 71 Q N -0.401 119.393 119.800 -0.011 0.000 1.715 71 Q HA -0.332 4.008 4.340 -0.000 0.000 0.433 71 Q C 0.103 176.107 176.000 0.006 0.000 0.895 71 Q CA 2.042 57.841 55.803 -0.006 0.000 0.712 71 Q CB -1.419 27.310 28.738 -0.015 0.000 4.301 71 Q HN 0.687 nan 8.270 nan 0.000 0.726 72 E N -1.304 118.894 120.200 -0.004 0.000 2.313 72 E HA -0.117 4.232 4.350 -0.000 0.000 0.190 72 E C 0.386 176.985 176.600 -0.002 0.000 1.406 72 E CA 1.063 57.460 56.400 -0.004 0.000 0.668 72 E CB -2.476 27.224 29.700 0.001 0.000 1.135 72 E HN 0.975 nan 8.360 nan 0.000 0.375 73 G N 2.075 110.870 108.800 -0.008 0.000 2.351 73 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.231 73 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.231 73 G C 1.660 176.553 174.900 -0.012 0.000 1.163 73 G CA 0.631 45.725 45.100 -0.010 0.000 0.861 73 G HN 0.333 nan 8.290 nan 0.000 0.500 74 M N 0.893 120.485 119.600 -0.013 0.000 3.382 74 M HA -0.326 4.153 4.480 -0.000 0.000 0.289 74 M C 1.208 177.495 176.300 -0.022 0.000 0.463 74 M CA 1.961 57.249 55.300 -0.020 0.000 0.803 74 M CB -2.023 30.563 32.600 -0.023 0.000 1.751 74 M HN 0.749 nan 8.290 nan 0.000 0.546 75 N N 1.875 120.562 118.700 -0.021 0.000 2.427 75 N HA 0.098 4.838 4.740 -0.000 0.000 0.269 75 N C 0.717 176.216 175.510 -0.020 0.000 1.235 75 N CA 1.363 54.400 53.050 -0.022 0.000 0.934 75 N CB 1.040 39.515 38.487 -0.020 0.000 1.121 75 N HN 0.509 nan 8.380 nan 0.000 0.480 76 E N 1.874 122.060 120.200 -0.022 0.000 3.387 76 E HA -0.185 4.164 4.350 -0.000 0.000 0.133 76 E C -0.603 175.984 176.600 -0.021 0.000 0.725 76 E CA 0.252 56.641 56.400 -0.019 0.000 3.006 76 E CB -1.344 28.348 29.700 -0.014 0.000 1.248 76 E HN 0.513 nan 8.360 nan 0.000 0.743 77 C N 5.823 125.118 119.300 -0.009 0.000 2.663 77 C HA 0.460 4.920 4.460 -0.000 0.000 0.379 77 C C -1.341 173.595 174.990 -0.089 0.000 1.255 77 C CA -0.902 58.115 59.018 -0.001 0.000 1.503 77 C CB -0.919 26.863 27.740 0.070 0.000 2.187 77 C HN 0.349 nan 8.230 nan 0.000 0.580 78 P HA 0.242 nan 4.420 nan 0.000 0.288 78 P C 0.541 177.656 177.300 -0.308 0.000 1.291 78 P CA 0.271 63.273 63.100 -0.164 0.000 0.766 78 P CB 0.382 32.005 31.700 -0.128 0.000 1.242 79 G N -1.047 107.625 108.800 -0.214 0.000 2.664 79 G HA2 0.124 4.084 3.960 -0.000 0.000 0.242 79 G HA3 0.124 4.084 3.960 -0.000 0.000 0.242 79 G C -0.406 174.266 174.900 -0.380 0.000 1.225 79 G CA -0.114 44.853 45.100 -0.222 0.000 0.849 79 G HN 0.594 nan 8.290 nan 0.000 0.581 80 H N 0.711 119.824 119.070 0.071 0.000 2.716 80 H HA 0.202 4.758 4.556 -0.000 0.000 0.260 80 H C -0.285 175.120 175.328 0.128 0.000 1.280 80 H CA -0.915 55.194 56.048 0.102 0.000 1.506 80 H CB 0.233 30.014 29.762 0.032 0.000 1.514 80 H HN 0.262 nan 8.280 nan 0.000 0.502 81 F N 1.178 121.148 119.950 0.034 0.000 2.628 81 F HA 0.129 4.656 4.527 -0.000 0.000 0.362 81 F C 1.607 177.403 175.800 -0.006 0.000 1.106 81 F CA 1.342 59.338 58.000 -0.008 0.000 1.333 81 F CB 0.565 39.533 39.000 -0.052 0.000 0.996 81 F HN 0.483 nan 8.300 nan 0.000 0.608 82 G N 1.064 109.920 108.800 0.093 0.000 2.788 82 G HA2 0.639 4.599 3.960 -0.000 0.000 0.293 82 G HA3 0.639 4.599 3.960 -0.000 0.000 0.293 82 G C -1.500 173.490 174.900 0.151 0.000 1.305 82 G CA -0.686 44.464 45.100 0.083 0.000 1.005 82 G HN 0.887 nan 8.290 nan 0.000 0.496 83 H N -2.517 116.545 119.070 -0.013 0.000 2.960 83 H HA 0.804 5.360 4.556 -0.000 0.000 0.303 83 H C -1.462 173.848 175.328 -0.031 0.000 1.412 83 H CA -1.251 54.781 56.048 -0.026 0.000 1.227 83 H CB 2.584 32.334 29.762 -0.020 0.000 1.912 83 H HN 0.555 nan 8.280 nan 0.000 0.583 84 I N 2.082 122.439 120.570 -0.355 0.000 2.574 84 I HA 0.031 4.201 4.170 -0.000 0.000 0.263 84 I C -1.272 174.654 176.117 -0.320 0.000 1.292 84 I CA -0.488 60.585 61.300 -0.378 0.000 1.079 84 I CB 0.878 38.776 38.000 -0.170 0.000 1.388 84 I HN 0.703 nan 8.210 nan 0.000 0.485 85 D N 7.777 127.927 120.400 -0.416 0.000 2.661 85 D HA 0.018 4.658 4.640 -0.000 0.000 0.244 85 D C 0.583 176.815 176.300 -0.113 0.000 1.196 85 D CA 0.703 54.583 54.000 -0.200 0.000 0.881 85 D CB 0.914 41.628 40.800 -0.143 0.000 1.141 85 D HN 0.436 nan 8.370 nan 0.000 0.530 86 L N 1.270 122.446 121.223 -0.077 0.000 2.444 86 L HA 0.029 4.369 4.340 -0.000 0.000 0.251 86 L C 1.773 178.624 176.870 -0.032 0.000 1.247 86 L CA -0.236 54.573 54.840 -0.051 0.000 0.825 86 L CB 0.236 42.271 42.059 -0.040 0.000 1.129 86 L HN 0.424 nan 8.230 nan 0.000 0.527 87 A N 0.080 122.887 122.820 -0.022 0.000 1.973 87 A HA 0.168 4.488 4.320 -0.000 0.000 0.210 87 A C 0.654 178.230 177.584 -0.015 0.000 1.200 87 A CA 0.753 52.783 52.037 -0.011 0.000 0.707 87 A CB 0.289 19.286 19.000 -0.005 0.000 0.862 87 A HN 0.622 nan 8.150 nan 0.000 0.461 88 K N 0.091 120.478 120.400 -0.023 0.000 2.523 88 K HA 0.365 4.685 4.320 -0.000 0.000 0.257 88 K C -3.173 173.396 176.600 -0.052 0.000 0.932 88 K CA -2.172 54.095 56.287 -0.033 0.000 0.812 88 K CB 2.388 34.870 32.500 -0.031 0.000 1.326 88 K HN -0.006 nan 8.250 nan 0.000 0.433 89 P HA 0.009 nan 4.420 nan 0.000 0.264 89 P C -0.580 176.620 177.300 -0.167 0.000 1.183 89 P CA -0.106 62.933 63.100 -0.101 0.000 0.763 89 P CB 0.552 32.187 31.700 -0.109 0.000 0.807 90 V N 4.341 124.167 119.914 -0.147 0.000 2.709 90 V HA 0.281 4.401 4.120 -0.000 0.000 0.308 90 V C 0.359 176.393 176.094 -0.101 0.000 1.062 90 V CA -0.705 61.505 62.300 -0.150 0.000 0.901 90 V CB 1.258 33.061 31.823 -0.032 0.000 1.003 90 V HN 0.318 nan 8.190 nan 0.000 0.425 91 F N 2.163 122.130 119.950 0.029 0.000 2.586 91 F HA 0.136 4.663 4.527 -0.000 0.000 0.344 91 F C 0.932 176.760 175.800 0.046 0.000 1.188 91 F CA 0.233 58.252 58.000 0.030 0.000 1.359 91 F CB 0.035 39.052 39.000 0.028 0.000 1.129 91 F HN 0.544 nan 8.300 nan 0.000 0.609 92 H N 1.731 120.865 119.070 0.107 0.000 2.690 92 H HA 0.283 4.839 4.556 -0.000 0.000 0.289 92 H C 0.861 176.064 175.328 -0.208 0.000 1.089 92 H CA -0.684 55.276 56.048 -0.148 0.000 1.299 92 H CB 0.870 30.379 29.762 -0.421 0.000 1.405 92 H HN 0.519 nan 8.280 nan 0.000 0.463 93 V N 3.630 123.543 119.914 -0.002 0.000 2.402 93 V HA -0.375 3.745 4.120 -0.000 0.000 0.264 93 V C 2.158 178.036 176.094 -0.360 0.000 1.112 93 V CA 2.189 64.408 62.300 -0.135 0.000 1.110 93 V CB -1.086 30.694 31.823 -0.072 0.000 0.689 93 V HN 0.934 nan 8.190 nan 0.000 0.459 94 G N -1.473 106.792 108.800 -0.892 0.000 2.437 94 G HA2 0.015 3.975 3.960 -0.000 0.000 0.212 94 G HA3 0.015 3.975 3.960 -0.000 0.000 0.212 94 G C 1.365 176.000 174.900 -0.441 0.000 1.174 94 G CA 0.363 44.896 45.100 -0.945 0.000 0.811 94 G HN 0.539 nan 8.290 nan 0.000 0.537 95 F N 0.131 119.722 119.950 -0.599 0.000 2.604 95 F HA 0.074 4.601 4.527 -0.000 0.000 0.298 95 F C 2.373 178.070 175.800 -0.171 0.000 1.131 95 F CA -0.767 57.066 58.000 -0.279 0.000 1.457 95 F CB -0.084 38.837 39.000 -0.132 0.000 1.095 95 F HN 0.003 nan 8.300 nan 0.000 0.574 96 I N 1.589 122.139 120.570 -0.033 0.000 2.253 96 I HA -0.478 3.692 4.170 -0.000 0.000 0.234 96 I C 2.667 178.728 176.117 -0.093 0.000 0.978 96 I CA 1.914 63.135 61.300 -0.132 0.000 1.271 96 I CB -0.864 37.038 38.000 -0.163 0.000 0.978 96 I HN 0.133 nan 8.210 nan 0.000 0.394 97 A N -0.949 121.837 122.820 -0.057 0.000 1.917 97 A HA -0.342 3.978 4.320 -0.000 0.000 0.219 97 A C 2.428 180.019 177.584 0.012 0.000 1.182 97 A CA 2.426 54.444 52.037 -0.032 0.000 0.633 97 A CB -0.752 18.223 19.000 -0.042 0.000 0.819 97 A HN 0.519 nan 8.150 nan 0.000 0.448 98 K N -0.531 119.887 120.400 0.029 0.000 2.155 98 K HA 0.048 4.368 4.320 -0.000 0.000 0.203 98 K C 1.722 178.455 176.600 0.222 0.000 1.052 98 K CA 1.008 57.347 56.287 0.086 0.000 0.948 98 K CB -0.251 32.219 32.500 -0.050 0.000 0.728 98 K HN 0.537 nan 8.250 nan 0.000 0.448 99 I N 1.038 121.710 120.570 0.169 0.000 2.286 99 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 99 I C 2.461 178.786 176.117 0.347 0.000 1.115 99 I CA 1.158 62.593 61.300 0.225 0.000 1.392 99 I CB -0.199 37.829 38.000 0.046 0.000 1.065 99 I HN 0.245 nan 8.210 nan 0.000 0.418 100 K N 1.673 122.174 120.400 0.168 0.000 1.991 100 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 100 K C 2.100 178.857 176.600 0.262 0.000 1.045 100 K CA 1.251 57.640 56.287 0.169 0.000 0.937 100 K CB -0.021 32.523 32.500 0.073 0.000 0.720 100 K HN 0.071 nan 8.250 nan 0.000 0.438 101 K N 0.464 121.005 120.400 0.236 0.000 2.281 101 K HA -0.097 4.222 4.320 -0.000 0.000 0.203 101 K C 1.870 178.725 176.600 0.425 0.000 1.046 101 K CA 1.079 57.521 56.287 0.258 0.000 0.938 101 K CB 0.103 32.470 32.500 -0.221 0.000 0.737 101 K HN 0.064 nan 8.250 nan 0.000 0.458 102 V N -0.066 120.123 119.914 0.457 0.000 2.535 102 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 102 V C 2.277 178.457 176.094 0.142 0.000 1.045 102 V CA 1.118 63.664 62.300 0.411 0.000 1.058 102 V CB -0.098 31.997 31.823 0.452 0.000 0.689 102 V HN 0.420 nan 8.190 nan 0.000 0.461 103 C N 0.363 119.769 119.300 0.177 0.000 2.429 103 C HA -0.145 4.315 4.460 -0.000 0.000 0.277 103 C C 2.617 177.642 174.990 0.060 0.000 1.262 103 C CA 1.139 60.185 59.018 0.046 0.000 1.733 103 C CB -0.940 26.914 27.740 0.190 0.000 2.010 103 C HN 0.605 nan 8.230 nan 0.000 0.483 104 E N -1.072 119.223 120.200 0.158 0.000 2.455 104 E HA -0.203 4.147 4.350 -0.000 0.000 0.202 104 E C 1.831 178.462 176.600 0.052 0.000 1.045 104 E CA 0.935 57.400 56.400 0.108 0.000 0.872 104 E CB -0.094 29.755 29.700 0.248 0.000 0.792 104 E HN 0.702 nan 8.360 nan 0.000 0.542 105 C N -0.174 119.193 119.300 0.112 0.000 2.700 105 C HA 0.160 4.620 4.460 -0.000 0.000 0.297 105 C C 1.037 176.027 174.990 -0.001 0.000 1.293 105 C CA -0.416 58.645 59.018 0.071 0.000 1.756 105 C CB 0.306 28.149 27.740 0.172 0.000 2.210 105 C HN 0.032 nan 8.230 nan 0.000 0.553 106 V N -0.602 119.283 119.914 -0.047 0.000 3.177 106 V HA 0.472 4.592 4.120 -0.000 0.000 0.319 106 V C -0.256 175.796 176.094 -0.071 0.000 1.125 106 V CA -0.816 61.436 62.300 -0.080 0.000 1.029 106 V CB 1.441 33.167 31.823 -0.162 0.000 1.119 106 V HN 0.353 nan 8.190 nan 0.000 0.452 107 C N 3.523 122.794 119.300 -0.049 0.000 2.391 107 C HA 0.706 5.166 4.460 -0.000 0.000 0.339 107 C C 0.258 175.230 174.990 -0.029 0.000 1.205 107 C CA -0.741 58.268 59.018 -0.015 0.000 1.937 107 C CB 0.537 28.296 27.740 0.032 0.000 2.341 107 C HN 0.783 nan 8.230 nan 0.000 0.516 108 M N 4.939 124.502 119.600 -0.061 0.000 2.114 108 M HA 0.350 4.830 4.480 -0.000 0.000 0.293 108 M C 1.257 177.422 176.300 -0.226 0.000 1.201 108 M CA 0.555 55.727 55.300 -0.214 0.000 1.107 108 M CB -0.508 31.868 32.600 -0.373 0.000 1.405 108 M HN 0.960 nan 8.290 nan 0.000 0.486 109 H N -1.132 117.990 119.070 0.087 0.000 4.836 109 H HA -0.224 4.332 4.556 -0.000 0.000 0.067 109 H C 1.579 176.899 175.328 -0.013 0.000 0.594 109 H CA 2.256 58.332 56.048 0.047 0.000 0.978 109 H CB -1.696 28.089 29.762 0.039 0.000 0.436 109 H HN 0.861 nan 8.280 nan 0.000 0.790 110 C N 0.485 119.843 119.300 0.098 0.000 2.469 110 C HA 0.665 5.125 4.460 -0.000 0.000 0.309 110 C C 1.880 176.856 174.990 -0.024 0.000 1.385 110 C CA 1.462 60.477 59.018 -0.005 0.000 1.890 110 C CB 0.062 27.809 27.740 0.012 0.000 2.245 110 C HN 1.525 nan 8.230 nan 0.000 0.530 111 G N 1.563 110.362 108.800 -0.003 0.000 2.303 111 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.260 111 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.260 111 G C -0.402 174.468 174.900 -0.049 0.000 1.106 111 G CA 0.456 45.543 45.100 -0.022 0.000 0.900 111 G HN 0.975 nan 8.290 nan 0.000 0.495 112 K N -0.406 119.971 120.400 -0.038 0.000 2.395 112 K HA 0.741 5.061 4.320 -0.000 0.000 0.247 112 K C 0.940 177.523 176.600 -0.027 0.000 0.973 112 K CA -1.201 55.064 56.287 -0.037 0.000 0.828 112 K CB 1.238 33.723 32.500 -0.024 0.000 1.272 112 K HN 0.128 nan 8.250 nan 0.000 0.439 113 L N 3.398 124.608 121.223 -0.021 0.000 2.516 113 L HA -0.045 4.295 4.340 -0.000 0.000 0.288 113 L C 0.850 177.718 176.870 -0.004 0.000 1.246 113 L CA 0.216 55.051 54.840 -0.009 0.000 0.844 113 L CB 0.263 42.322 42.059 -0.001 0.000 1.106 113 L HN 0.610 nan 8.230 nan 0.000 0.509 114 L N 4.000 125.220 121.223 -0.006 0.000 2.741 114 L HA 0.282 4.622 4.340 -0.000 0.000 0.237 114 L C -0.228 176.641 176.870 -0.002 0.000 1.178 114 L CA 0.129 54.965 54.840 -0.007 0.000 0.973 114 L CB -0.215 41.829 42.059 -0.025 0.000 1.255 114 L HN 0.459 nan 8.230 nan 0.000 0.498 115 L N 0.387 121.612 121.223 0.004 0.000 2.487 115 L HA 0.314 4.654 4.340 -0.000 0.000 0.261 115 L C -0.901 175.969 176.870 0.001 0.000 1.223 115 L CA -0.361 54.484 54.840 0.008 0.000 0.883 115 L CB 1.479 43.535 42.059 -0.006 0.000 1.065 115 L HN 0.027 nan 8.230 nan 0.000 0.488 116 D N 1.012 121.417 120.400 0.008 0.000 2.377 116 D HA 0.060 4.699 4.640 -0.000 0.000 0.245 116 D C 0.898 177.127 176.300 -0.119 0.000 1.196 116 D CA -0.258 53.691 54.000 -0.084 0.000 0.962 116 D CB 1.338 42.052 40.800 -0.143 0.000 1.127 116 D HN 0.378 nan 8.370 nan 0.000 0.471 117 E N -0.050 120.025 120.200 -0.207 0.000 2.284 117 E HA -0.226 4.123 4.350 -0.000 0.000 0.200 117 E C 1.642 178.192 176.600 -0.084 0.000 1.008 117 E CA 1.128 57.444 56.400 -0.140 0.000 0.829 117 E CB -0.263 29.343 29.700 -0.158 0.000 0.744 117 E HN 0.399 nan 8.360 nan 0.000 0.491 118 H N 0.218 119.287 119.070 -0.002 0.000 2.362 118 H HA -0.127 4.429 4.556 -0.000 0.000 0.294 118 H C 1.002 176.327 175.328 -0.005 0.000 1.113 118 H CA 1.306 57.352 56.048 -0.004 0.000 1.253 118 H CB -0.473 29.286 29.762 -0.006 0.000 1.363 118 H HN 0.135 nan 8.280 nan 0.000 0.494 119 N N 1.157 119.919 118.700 0.103 0.000 2.444 119 N HA -0.055 4.685 4.740 -0.000 0.000 0.271 119 N C 1.138 176.664 175.510 0.028 0.000 1.069 119 N CA 0.103 53.184 53.050 0.052 0.000 0.965 119 N CB 1.718 40.224 38.487 0.032 0.000 1.092 119 N HN 0.368 nan 8.380 nan 0.000 0.476 120 E N 4.044 124.257 120.200 0.023 0.000 2.017 120 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 120 E C 1.542 178.147 176.600 0.008 0.000 0.997 120 E CA 1.035 57.444 56.400 0.015 0.000 0.804 120 E CB -0.006 29.702 29.700 0.014 0.000 0.757 120 E HN 0.693 nan 8.360 nan 0.000 0.448 121 L N 0.284 121.509 121.223 0.005 0.000 2.103 121 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 121 L C 2.794 179.664 176.870 0.001 0.000 1.080 121 L CA 1.432 56.273 54.840 0.001 0.000 0.764 121 L CB -0.521 41.534 42.059 -0.007 0.000 0.890 121 L HN 0.384 nan 8.230 nan 0.000 0.435 122 M N 0.104 119.705 119.600 0.001 0.000 2.086 122 M HA -0.185 4.295 4.480 -0.000 0.000 0.261 122 M C 2.320 178.623 176.300 0.005 0.000 1.067 122 M CA 1.813 57.114 55.300 0.001 0.000 1.116 122 M CB -0.350 32.249 32.600 -0.001 0.000 1.348 122 M HN 0.001 nan 8.290 nan 0.000 0.407 123 R N -0.392 120.109 120.500 0.002 0.000 2.094 123 R HA -0.214 4.126 4.340 -0.000 0.000 0.239 123 R C 2.271 178.577 176.300 0.011 0.000 1.137 123 R CA 2.172 58.274 56.100 0.003 0.000 0.943 123 R CB -0.909 29.392 30.300 0.002 0.000 0.850 123 R HN 0.577 nan 8.270 nan 0.000 0.433 124 Q N -0.106 119.700 119.800 0.011 0.000 2.182 124 Q HA -0.272 4.068 4.340 -0.000 0.000 0.213 124 Q C 2.166 178.178 176.000 0.020 0.000 1.000 124 Q CA 2.103 57.915 55.803 0.014 0.000 0.889 124 Q CB -0.254 28.491 28.738 0.012 0.000 0.932 124 Q HN 0.482 nan 8.270 nan 0.000 0.415 125 A N 0.405 123.237 122.820 0.020 0.000 1.903 125 A HA 0.000 4.320 4.320 -0.000 0.000 0.213 125 A C 1.841 179.447 177.584 0.037 0.000 1.185 125 A CA 0.218 52.273 52.037 0.029 0.000 0.628 125 A CB -0.432 18.584 19.000 0.026 0.000 0.830 125 A HN 0.311 nan 8.150 nan 0.000 0.446 126 L N -0.486 120.755 121.223 0.031 0.000 2.814 126 L HA -0.101 4.239 4.340 -0.000 0.000 0.248 126 L C 1.691 178.581 176.870 0.033 0.000 1.169 126 L CA 0.611 55.471 54.840 0.034 0.000 0.872 126 L CB -0.121 41.949 42.059 0.019 0.000 1.029 126 L HN 0.499 nan 8.230 nan 0.000 0.452 127 A N -1.219 121.621 122.820 0.033 0.000 2.653 127 A HA 0.307 4.627 4.320 -0.000 0.000 0.248 127 A C 0.738 178.343 177.584 0.035 0.000 1.211 127 A CA -0.408 51.647 52.037 0.031 0.000 0.991 127 A CB 0.325 19.339 19.000 0.023 0.000 1.252 127 A HN 0.211 nan 8.150 nan 0.000 0.593 128 I N 2.513 123.107 120.570 0.039 0.000 2.472 128 I HA -0.007 4.163 4.170 -0.000 0.000 0.305 128 I C -0.114 176.031 176.117 0.046 0.000 1.196 128 I CA 0.160 61.484 61.300 0.041 0.000 1.613 128 I CB -0.215 37.812 38.000 0.044 0.000 1.501 128 I HN 0.147 nan 8.210 nan 0.000 0.754 129 K N 5.843 126.268 120.400 0.041 0.000 2.405 129 K HA -0.048 4.272 4.320 -0.000 0.000 0.273 129 K C -0.195 176.430 176.600 0.041 0.000 1.116 129 K CA 0.821 57.132 56.287 0.041 0.000 1.155 129 K CB 0.067 32.589 32.500 0.036 0.000 0.858 129 K HN 0.507 nan 8.250 nan 0.000 0.477 130 D N 1.710 122.137 120.400 0.045 0.000 2.819 130 D HA -0.098 4.542 4.640 -0.000 0.000 0.116 130 D C 0.406 176.734 176.300 0.047 0.000 0.919 130 D CA -0.037 53.988 54.000 0.041 0.000 1.623 130 D CB -0.071 40.754 40.800 0.041 0.000 2.576 130 D HN 0.411 nan 8.370 nan 0.000 0.827 131 S N 2.261 117.979 115.700 0.030 0.000 2.559 131 S HA -0.145 4.325 4.470 -0.000 0.000 0.250 131 S C 1.146 175.754 174.600 0.014 0.000 0.977 131 S CA 1.019 59.229 58.200 0.017 0.000 0.958 131 S CB 0.239 63.421 63.200 -0.030 0.000 0.751 131 S HN 0.518 nan 8.310 nan 0.000 0.534 132 K N 0.271 120.698 120.400 0.044 0.000 2.606 132 K HA 0.276 4.596 4.320 -0.000 0.000 0.199 132 K C 1.730 178.398 176.600 0.113 0.000 1.403 132 K CA 0.004 56.334 56.287 0.073 0.000 1.011 132 K CB 0.064 32.569 32.500 0.009 0.000 1.623 132 K HN 0.081 nan 8.250 nan 0.000 0.512 133 K N 1.344 121.788 120.400 0.072 0.000 2.360 133 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 133 K C 2.041 178.688 176.600 0.077 0.000 1.046 133 K CA 0.996 57.322 56.287 0.065 0.000 0.945 133 K CB 0.082 32.611 32.500 0.049 0.000 0.750 133 K HN 0.069 nan 8.250 nan 0.000 0.464 134 R N 0.464 121.024 120.500 0.099 0.000 2.052 134 R HA -0.072 4.268 4.340 -0.000 0.000 0.224 134 R C 2.016 178.398 176.300 0.137 0.000 1.165 134 R CA 1.069 57.234 56.100 0.107 0.000 0.939 134 R CB -0.415 29.955 30.300 0.117 0.000 0.834 134 R HN 0.136 nan 8.270 nan 0.000 0.435 135 F N 1.705 121.685 119.950 0.050 0.000 2.411 135 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 135 F C 1.637 177.485 175.800 0.080 0.000 1.077 135 F CA 1.077 59.118 58.000 0.070 0.000 1.439 135 F CB -0.108 38.902 39.000 0.017 0.000 1.085 135 F HN 0.200 nan 8.300 nan 0.000 0.564 136 A N 0.195 123.029 122.820 0.023 0.000 1.850 136 A HA 0.158 4.477 4.320 -0.000 0.000 0.212 136 A C 2.446 180.051 177.584 0.034 0.000 1.208 136 A CA 1.184 53.216 52.037 -0.009 0.000 0.609 136 A CB -1.472 17.558 19.000 0.050 0.000 0.860 136 A HN 0.418 nan 8.150 nan 0.000 0.448 137 A N 0.418 123.262 122.820 0.040 0.000 1.835 137 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 137 A C 2.052 179.651 177.584 0.025 0.000 1.199 137 A CA 1.543 53.604 52.037 0.040 0.000 0.615 137 A CB -0.960 18.060 19.000 0.034 0.000 0.838 137 A HN 0.495 nan 8.150 nan 0.000 0.444 138 I N -2.165 118.413 120.570 0.015 0.000 2.130 138 I HA -0.397 3.773 4.170 -0.000 0.000 0.241 138 I C 2.453 178.569 176.117 -0.001 0.000 1.023 138 I CA 2.511 63.816 61.300 0.008 0.000 1.293 138 I CB -0.639 37.382 38.000 0.034 0.000 1.001 138 I HN 0.762 nan 8.210 nan 0.000 0.407 139 W N 1.931 123.046 121.300 -0.309 0.000 2.353 139 W HA -0.231 4.429 4.660 -0.000 0.000 0.319 139 W C 2.755 179.165 176.519 -0.182 0.000 1.207 139 W CA 2.508 59.666 57.345 -0.312 0.000 1.291 139 W CB -0.801 28.341 29.460 -0.531 0.000 1.159 139 W HN -0.021 nan 8.180 nan 0.000 0.478 140 T N 1.992 116.556 114.554 0.017 0.000 2.760 140 T HA -0.287 4.063 4.350 -0.000 0.000 0.269 140 T C 1.869 176.419 174.700 -0.250 0.000 1.047 140 T CA 1.866 63.828 62.100 -0.231 0.000 1.139 140 T CB -0.589 68.282 68.868 0.006 0.000 0.855 140 T HN 0.199 nan 8.240 nan 0.000 0.471 141 L N 0.797 121.934 121.223 -0.143 0.000 1.973 141 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 141 L C 2.846 179.626 176.870 -0.151 0.000 1.073 141 L CA 1.555 56.324 54.840 -0.117 0.000 0.746 141 L CB -0.495 41.528 42.059 -0.059 0.000 0.891 141 L HN 0.492 nan 8.230 nan 0.000 0.433 142 C N -1.618 117.591 119.300 -0.151 0.000 2.697 142 C HA 0.085 4.545 4.460 -0.000 0.000 0.267 142 C C 2.184 177.042 174.990 -0.219 0.000 1.278 142 C CA -0.569 58.362 59.018 -0.144 0.000 1.708 142 C CB -1.520 26.171 27.740 -0.083 0.000 1.860 142 C HN 0.471 nan 8.230 nan 0.000 0.589 143 K N 1.010 121.178 120.400 -0.387 0.000 2.574 143 K HA -0.006 4.313 4.320 -0.000 0.000 0.193 143 K C 1.230 177.625 176.600 -0.341 0.000 1.035 143 K CA 1.405 57.390 56.287 -0.502 0.000 0.982 143 K CB -0.405 31.449 32.500 -1.076 0.000 0.795 143 K HN 0.448 nan 8.250 nan 0.000 0.491 144 T N 0.622 115.023 114.554 -0.255 0.000 3.087 144 T HA 0.047 4.397 4.350 -0.000 0.000 0.237 144 T C -0.098 174.524 174.700 -0.130 0.000 0.990 144 T CA 0.002 61.993 62.100 -0.182 0.000 1.160 144 T CB 0.243 69.017 68.868 -0.157 0.000 0.923 144 T HN 0.087 nan 8.240 nan 0.000 0.442 145 K N 2.965 123.298 120.400 -0.111 0.000 2.315 145 K HA 0.161 4.481 4.320 -0.000 0.000 0.281 145 K C -0.265 176.290 176.600 -0.075 0.000 1.086 145 K CA 0.394 56.636 56.287 -0.076 0.000 1.042 145 K CB -0.441 32.023 32.500 -0.059 0.000 0.949 145 K HN 0.442 nan 8.250 nan 0.000 0.450 146 M N 1.953 121.512 119.600 -0.069 0.000 2.859 146 M HA 0.132 4.612 4.480 -0.000 0.000 0.297 146 M C -0.566 175.714 176.300 -0.032 0.000 1.268 146 M CA -0.232 55.026 55.300 -0.070 0.000 1.003 146 M CB 0.432 32.976 32.600 -0.093 0.000 1.308 146 M HN 0.003 nan 8.290 nan 0.000 0.502 147 V N 0.008 119.914 119.914 -0.014 0.000 2.610 147 V HA 0.068 4.188 4.120 -0.000 0.000 0.288 147 V C -0.549 175.555 176.094 0.016 0.000 1.055 147 V CA -1.260 61.049 62.300 0.014 0.000 0.902 147 V CB 1.827 33.658 31.823 0.013 0.000 1.030 147 V HN 0.488 nan 8.190 nan 0.000 0.448 148 C N 5.890 125.210 119.300 0.033 0.000 2.833 148 C HA 0.162 4.622 4.460 -0.000 0.000 0.394 148 C C 0.981 175.986 174.990 0.024 0.000 1.136 148 C CA -0.054 58.983 59.018 0.032 0.000 1.250 148 C CB -1.742 26.031 27.740 0.054 0.000 1.848 148 C HN 0.862 nan 8.230 nan 0.000 0.572 149 E N 2.509 122.718 120.200 0.014 0.000 2.390 149 E HA 0.098 4.448 4.350 -0.000 0.000 0.261 149 E C 0.927 177.529 176.600 0.004 0.000 1.076 149 E CA 0.149 56.553 56.400 0.006 0.000 0.905 149 E CB 0.723 30.422 29.700 -0.002 0.000 0.984 149 E HN 0.614 nan 8.360 nan 0.000 0.427 150 T N 0.890 115.439 114.554 -0.009 0.000 3.044 150 T HA 0.103 4.453 4.350 -0.000 0.000 0.260 150 T C -0.831 173.846 174.700 -0.038 0.000 1.019 150 T CA -0.136 61.955 62.100 -0.015 0.000 0.921 150 T CB 0.236 69.095 68.868 -0.014 0.000 1.053 150 T HN 0.345 nan 8.240 nan 0.000 0.533 151 D N 1.071 121.443 120.400 -0.045 0.000 2.970 151 D HA 0.505 5.145 4.640 -0.000 0.000 0.230 151 D C -1.137 175.118 176.300 -0.075 0.000 1.276 151 D CA -0.239 53.720 54.000 -0.068 0.000 0.910 151 D CB 2.921 43.691 40.800 -0.048 0.000 1.590 151 D HN -0.034 nan 8.370 nan 0.000 0.551 152 V N 1.139 120.983 119.914 -0.118 0.000 2.971 152 V HA 0.398 4.518 4.120 -0.000 0.000 0.309 152 V C -2.520 173.512 176.094 -0.105 0.000 1.130 152 V CA -1.809 60.430 62.300 -0.103 0.000 0.964 152 V CB 2.683 34.436 31.823 -0.117 0.000 1.029 152 V HN 0.362 nan 8.190 nan 0.000 0.427 153 P HA 0.067 nan 4.420 nan 0.000 0.263 153 P C 0.447 177.721 177.300 -0.045 0.000 1.276 153 P CA 0.344 63.416 63.100 -0.046 0.000 0.986 153 P CB 0.166 31.851 31.700 -0.025 0.000 1.105 154 S N 2.815 118.479 115.700 -0.060 0.000 2.594 154 S HA -0.137 4.333 4.470 -0.000 0.000 0.259 154 S C 1.057 175.656 174.600 -0.002 0.000 1.399 154 S CA -0.007 58.168 58.200 -0.043 0.000 0.985 154 S CB -0.014 63.162 63.200 -0.040 0.000 0.870 154 S HN 0.465 nan 8.310 nan 0.000 0.542 155 E N 1.030 121.243 120.200 0.022 0.000 2.520 155 E HA -0.005 4.345 4.350 -0.000 0.000 0.201 155 E C -0.131 176.478 176.600 0.015 0.000 1.122 155 E CA 0.449 56.867 56.400 0.029 0.000 0.896 155 E CB -0.288 29.436 29.700 0.041 0.000 0.891 155 E HN 0.518 nan 8.360 nan 0.000 0.533 156 D N 0.712 121.116 120.400 0.006 0.000 2.712 156 D HA 0.012 4.652 4.640 -0.000 0.000 0.252 156 D C -0.348 175.951 176.300 -0.002 0.000 1.123 156 D CA -0.611 53.390 54.000 0.002 0.000 1.109 156 D CB 0.316 41.115 40.800 -0.000 0.000 1.313 156 D HN -0.003 nan 8.370 nan 0.000 0.629 157 D N 1.366 121.764 120.400 -0.003 0.000 2.662 157 D HA -0.071 4.569 4.640 -0.000 0.000 0.233 157 D C -1.733 174.562 176.300 -0.008 0.000 1.129 157 D CA -0.546 53.451 54.000 -0.004 0.000 0.851 157 D CB 0.641 41.438 40.800 -0.005 0.000 1.152 157 D HN 0.032 nan 8.370 nan 0.000 0.507 158 P HA -0.061 nan 4.420 nan 0.000 0.259 158 P C 0.448 177.740 177.300 -0.013 0.000 1.307 158 P CA 0.257 63.351 63.100 -0.011 0.000 0.768 158 P CB -0.007 31.688 31.700 -0.008 0.000 1.199 159 T N -1.989 112.557 114.554 -0.012 0.000 3.023 159 T HA 0.097 4.447 4.350 -0.000 0.000 0.253 159 T C 0.879 175.570 174.700 -0.015 0.000 1.038 159 T CA 0.333 62.426 62.100 -0.012 0.000 0.962 159 T CB 0.174 69.036 68.868 -0.009 0.000 1.018 159 T HN 0.019 nan 8.240 nan 0.000 0.521 160 Q N 2.217 122.007 119.800 -0.017 0.000 2.788 160 Q HA 0.384 4.724 4.340 -0.000 0.000 0.261 160 Q C -0.392 175.590 176.000 -0.029 0.000 1.029 160 Q CA -0.129 55.662 55.803 -0.020 0.000 0.848 160 Q CB 0.422 29.150 28.738 -0.016 0.000 1.185 160 Q HN 0.510 nan 8.270 nan 0.000 0.482 161 L N 0.234 121.436 121.223 -0.035 0.000 2.483 161 L HA 0.319 4.658 4.340 -0.000 0.000 0.277 161 L C 0.452 177.285 176.870 -0.062 0.000 1.248 161 L CA -0.066 54.743 54.840 -0.052 0.000 0.825 161 L CB 0.112 42.141 42.059 -0.050 0.000 1.096 161 L HN 0.013 nan 8.230 nan 0.000 0.512 162 V N -0.836 119.020 119.914 -0.096 0.000 3.159 162 V HA 0.404 4.524 4.120 -0.000 0.000 0.308 162 V C -0.125 175.886 176.094 -0.140 0.000 1.190 162 V CA -0.635 61.603 62.300 -0.104 0.000 1.037 162 V CB 2.285 34.043 31.823 -0.109 0.000 1.060 162 V HN 0.978 nan 8.190 nan 0.000 0.437 163 S N 2.245 117.883 115.700 -0.103 0.000 2.738 163 S HA 0.852 5.322 4.470 -0.000 0.000 0.284 163 S C -0.129 174.425 174.600 -0.077 0.000 1.146 163 S CA -0.316 57.831 58.200 -0.087 0.000 0.997 163 S CB 2.291 65.465 63.200 -0.043 0.000 1.081 163 S HN 0.966 nan 8.310 nan 0.000 0.553 164 R N 0.010 120.498 120.500 -0.020 0.000 2.898 164 R HA 0.577 4.916 4.340 -0.000 0.000 0.092 164 R C 0.867 177.189 176.300 0.037 0.000 0.570 164 R CA -0.439 55.700 56.100 0.065 0.000 0.381 164 R CB -0.560 29.840 30.300 0.165 0.000 0.320 164 R HN 0.733 nan 8.270 nan 0.000 0.321 165 G N -0.476 108.349 108.800 0.041 0.000 2.653 165 G HA2 0.434 4.394 3.960 -0.000 0.000 0.265 165 G HA3 0.434 4.394 3.960 -0.000 0.000 0.265 165 G C -0.004 174.900 174.900 0.007 0.000 1.237 165 G CA -0.176 44.934 45.100 0.017 0.000 0.946 165 G HN 0.559 nan 8.290 nan 0.000 0.522 166 G N -1.778 107.022 108.800 0.000 0.000 3.392 166 G HA2 0.384 4.344 3.960 -0.000 0.000 0.188 166 G HA3 0.384 4.344 3.960 -0.000 0.000 0.188 166 G C 0.767 175.668 174.900 0.001 0.000 1.485 166 G CA 0.379 45.477 45.100 -0.005 0.000 0.943 166 G HN 1.897 nan 8.290 nan 0.000 0.627 167 C N -0.001 119.294 119.300 -0.008 0.000 1.350 167 C HA 0.068 4.528 4.460 -0.000 0.000 0.399 167 C C 1.664 176.663 174.990 0.015 0.000 1.119 167 C CA -0.708 58.304 59.018 -0.010 0.000 2.750 167 C CB -1.694 26.045 27.740 -0.002 0.000 2.829 167 C HN 1.169 nan 8.230 nan 0.000 0.177 168 G N 3.453 112.256 108.800 0.005 0.000 2.880 168 G HA2 0.069 4.029 3.960 -0.000 0.000 0.209 168 G HA3 0.069 4.029 3.960 -0.000 0.000 0.209 168 G C 0.525 175.455 174.900 0.049 0.000 1.157 168 G CA -0.208 44.906 45.100 0.023 0.000 0.779 168 G HN 0.975 nan 8.290 nan 0.000 0.539 169 N N 1.991 120.717 118.700 0.044 0.000 1.794 169 N HA -0.100 4.640 4.740 -0.000 0.000 0.324 169 N C 0.417 176.034 175.510 0.179 0.000 1.301 169 N CA 0.920 54.029 53.050 0.099 0.000 0.798 169 N CB 0.278 38.821 38.487 0.094 0.000 1.038 169 N HN 0.031 nan 8.380 nan 0.000 0.506 170 T N 2.947 117.615 114.554 0.190 0.000 2.906 170 T HA 0.008 4.358 4.350 -0.000 0.000 0.320 170 T C 0.673 175.489 174.700 0.193 0.000 1.088 170 T CA 0.111 62.313 62.100 0.170 0.000 1.120 170 T CB 0.515 69.487 68.868 0.173 0.000 1.000 170 T HN 0.314 nan 8.240 nan 0.000 0.550 171 Q N 2.992 122.786 119.800 -0.010 0.000 2.331 171 Q HA 0.330 4.670 4.340 -0.000 0.000 0.267 171 Q C -2.351 173.370 176.000 -0.464 0.000 1.006 171 Q CA -2.162 53.516 55.803 -0.208 0.000 0.818 171 Q CB 1.841 30.511 28.738 -0.114 0.000 1.276 171 Q HN 0.433 nan 8.270 nan 0.000 0.450 172 P HA -0.049 nan 4.420 nan 0.000 0.268 172 P C -0.604 176.384 177.300 -0.521 0.000 1.205 172 P CA -0.080 62.392 63.100 -1.047 0.000 0.771 172 P CB 0.665 31.047 31.700 -2.196 0.000 0.858 173 T N 4.711 119.071 114.554 -0.323 0.000 2.738 173 T HA 0.262 4.612 4.350 -0.000 0.000 0.293 173 T C 0.825 175.430 174.700 -0.158 0.000 0.913 173 T CA -0.151 61.835 62.100 -0.190 0.000 1.103 173 T CB -0.578 68.219 68.868 -0.119 0.000 0.880 173 T HN 0.210 nan 8.240 nan 0.000 0.526 174 I N 3.897 124.394 120.570 -0.120 0.000 2.779 174 I HA 0.484 4.654 4.170 -0.000 0.000 0.285 174 I C 0.778 176.888 176.117 -0.012 0.000 1.134 174 I CA -0.660 60.605 61.300 -0.058 0.000 1.398 174 I CB 0.310 38.306 38.000 -0.008 0.000 1.404 174 I HN 0.588 nan 8.210 nan 0.000 0.587 175 R N 2.922 123.426 120.500 0.006 0.000 2.604 175 R HA 0.459 4.799 4.340 -0.000 0.000 0.270 175 R C -1.428 174.884 176.300 0.020 0.000 1.052 175 R CA -1.132 54.979 56.100 0.018 0.000 0.902 175 R CB 1.534 31.842 30.300 0.014 0.000 1.233 175 R HN 0.548 nan 8.270 nan 0.000 0.455 176 K N 1.548 121.958 120.400 0.017 0.000 2.270 176 K HA 0.103 4.423 4.320 -0.000 0.000 0.276 176 K C -1.073 175.537 176.600 0.016 0.000 1.023 176 K CA -0.021 56.269 56.287 0.005 0.000 0.955 176 K CB 0.763 33.262 32.500 -0.002 0.000 0.975 176 K HN 0.705 nan 8.250 nan 0.000 0.471 177 D N 2.590 123.000 120.400 0.017 0.000 2.871 177 D HA 0.216 4.856 4.640 -0.000 0.000 0.209 177 D C 0.367 176.691 176.300 0.040 0.000 1.292 177 D CA 0.649 54.668 54.000 0.032 0.000 0.869 177 D CB 1.297 42.122 40.800 0.042 0.000 1.663 177 D HN 0.760 nan 8.370 nan 0.000 0.557 178 G N 3.025 111.852 108.800 0.046 0.000 2.684 178 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.332 178 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.332 178 G C 0.668 175.606 174.900 0.065 0.000 1.306 178 G CA 0.936 46.075 45.100 0.066 0.000 1.002 178 G HN 0.633 nan 8.290 nan 0.000 0.545 179 L N 0.155 121.440 121.223 0.104 0.000 3.141 179 L HA 0.527 4.867 4.340 -0.000 0.000 0.267 179 L C 0.307 177.296 176.870 0.198 0.000 1.281 179 L CA -0.060 54.854 54.840 0.124 0.000 1.037 179 L CB 0.036 42.206 42.059 0.184 0.000 1.407 179 L HN 0.296 nan 8.230 nan 0.000 0.566 180 K N 0.870 121.349 120.400 0.132 0.000 2.546 180 K HA 0.649 4.968 4.320 -0.000 0.000 0.264 180 K C -1.213 175.446 176.600 0.097 0.000 0.937 180 K CA -0.643 55.779 56.287 0.225 0.000 0.833 180 K CB 3.273 35.927 32.500 0.258 0.000 1.378 180 K HN -0.023 nan 8.250 nan 0.000 0.432 181 L N 1.399 122.694 121.223 0.121 0.000 2.352 181 L HA 0.728 5.068 4.340 -0.000 0.000 0.269 181 L C -0.648 176.294 176.870 0.121 0.000 1.034 181 L CA -1.147 53.739 54.840 0.075 0.000 0.806 181 L CB 1.706 43.793 42.059 0.046 0.000 1.244 181 L HN 0.272 nan 8.230 nan 0.000 0.447 182 V N 0.077 120.043 119.914 0.088 0.000 2.969 182 V HA 0.762 4.882 4.120 -0.000 0.000 0.304 182 V C -0.245 175.878 176.094 0.047 0.000 1.192 182 V CA -0.438 61.925 62.300 0.105 0.000 0.962 182 V CB 2.189 34.076 31.823 0.108 0.000 1.045 182 V HN 0.880 nan 8.190 nan 0.000 0.428 183 G N 1.633 110.453 108.800 0.034 0.000 2.642 183 G HA2 0.763 4.723 3.960 -0.000 0.000 0.293 183 G HA3 0.763 4.723 3.960 -0.000 0.000 0.293 183 G C -0.922 173.945 174.900 -0.054 0.000 1.341 183 G CA -0.336 44.666 45.100 -0.163 0.000 0.916 183 G HN 1.034 nan 8.290 nan 0.000 0.474 184 S N -0.073 115.560 115.700 -0.112 0.000 2.707 184 S HA 0.515 4.985 4.470 -0.000 0.000 0.303 184 S C -0.219 174.464 174.600 0.138 0.000 1.132 184 S CA -0.921 57.392 58.200 0.189 0.000 1.046 184 S CB 0.967 64.246 63.200 0.132 0.000 1.004 184 S HN 0.653 nan 8.310 nan 0.000 0.483 185 W N 2.670 123.985 121.300 0.025 0.000 1.693 185 W HA 0.424 5.084 4.660 -0.000 0.000 0.496 185 W C 1.166 177.694 176.519 0.016 0.000 2.119 185 W CA -0.854 56.505 57.345 0.024 0.000 2.376 185 W CB 0.299 29.779 29.460 0.032 0.000 1.804 185 W HN 0.654 nan 8.180 nan 0.000 0.805 186 K N -1.228 119.344 120.400 0.287 0.000 2.183 186 K HA 0.055 4.375 4.320 -0.000 0.000 0.312 186 K C -0.848 175.818 176.600 0.109 0.000 1.317 186 K CA -0.685 55.692 56.287 0.150 0.000 0.753 186 K CB 0.128 32.685 32.500 0.095 0.000 3.418 186 K HN 0.023 nan 8.250 nan 0.000 1.162 187 K N 2.755 123.204 120.400 0.082 0.000 4.722 187 K HA -0.093 4.227 4.320 -0.000 0.000 0.810 187 K C -1.900 174.722 176.600 0.036 0.000 1.314 187 K CA 0.972 57.291 56.287 0.055 0.000 1.472 187 K CB -1.894 30.636 32.500 0.050 0.000 2.438 187 K HN 0.675 nan 8.250 nan 0.000 0.298 188 D N 0.244 120.662 120.400 0.029 0.000 10.448 188 D HA -0.235 4.405 4.640 -0.000 0.000 0.360 188 D C -0.441 175.872 176.300 0.021 0.000 3.024 188 D CA 1.005 55.017 54.000 0.020 0.000 2.424 188 D CB 0.021 40.829 40.800 0.015 0.000 1.149 188 D HN 0.639 nan 8.370 nan 0.000 1.024 189 R N 0.699 121.209 120.500 0.016 0.000 2.985 189 R HA 0.477 4.817 4.340 -0.000 0.000 0.259 189 R C -0.171 176.135 176.300 0.011 0.000 1.815 189 R CA 0.635 56.744 56.100 0.015 0.000 1.278 189 R CB 0.031 30.340 30.300 0.016 0.000 1.403 189 R HN 0.827 nan 8.270 nan 0.000 0.534 190 A N 1.018 123.844 122.820 0.010 0.000 3.469 190 A HA -0.181 4.139 4.320 -0.000 0.000 0.244 190 A C 0.658 178.245 177.584 0.006 0.000 1.181 190 A CA 1.396 53.437 52.037 0.007 0.000 1.418 190 A CB -1.764 17.239 19.000 0.006 0.000 1.060 190 A HN 0.600 nan 8.150 nan 0.000 0.897 191 T N -0.531 114.027 114.554 0.006 0.000 2.925 191 T HA 0.431 4.781 4.350 -0.000 0.000 0.232 191 T C 1.226 175.928 174.700 0.004 0.000 1.055 191 T CA 1.225 63.328 62.100 0.005 0.000 1.419 191 T CB -0.052 68.820 68.868 0.006 0.000 1.094 191 T HN 1.686 nan 8.240 nan 0.000 0.423 192 G N 1.948 110.751 108.800 0.004 0.000 3.171 192 G HA2 0.520 4.480 3.960 -0.000 0.000 0.305 192 G HA3 0.520 4.480 3.960 -0.000 0.000 0.305 192 G C -1.489 173.412 174.900 0.003 0.000 1.584 192 G CA -0.470 44.632 45.100 0.002 0.000 1.070 192 G HN 0.392 nan 8.290 nan 0.000 0.535 193 D N 0.639 121.041 120.400 0.002 0.000 10.957 193 D HA -0.121 4.519 4.640 -0.000 0.000 0.361 193 D C 1.132 177.436 176.300 0.006 0.000 3.111 193 D CA 1.678 55.679 54.000 0.001 0.000 2.605 193 D CB -0.584 40.214 40.800 -0.004 0.000 1.159 193 D HN 1.781 nan 8.370 nan 0.000 0.941 194 A N 0.511 123.334 122.820 0.005 0.000 1.266 194 A HA -0.339 3.981 4.320 -0.000 0.000 0.297 194 A C 0.877 178.473 177.584 0.021 0.000 1.787 194 A CA 2.956 55.001 52.037 0.013 0.000 1.093 194 A CB -1.705 17.309 19.000 0.023 0.000 1.471 194 A HN 1.270 nan 8.150 nan 0.000 0.723 195 D N -1.262 119.153 120.400 0.024 0.000 4.089 195 D HA -0.188 4.452 4.640 -0.000 0.000 0.141 195 D C 0.570 176.890 176.300 0.033 0.000 0.858 195 D CA 2.129 56.144 54.000 0.024 0.000 1.094 195 D CB -1.655 39.155 40.800 0.018 0.000 0.550 195 D HN 1.565 nan 8.370 nan 0.000 0.562 196 E N 4.004 124.223 120.200 0.031 0.000 2.563 196 E HA 0.118 4.468 4.350 -0.000 0.000 0.260 196 E C -2.174 174.460 176.600 0.056 0.000 1.391 196 E CA -0.445 55.977 56.400 0.037 0.000 1.079 196 E CB -1.129 28.589 29.700 0.031 0.000 0.984 196 E HN 0.279 nan 8.360 nan 0.000 0.563 197 P HA -0.059 nan 4.420 nan 0.000 0.273 197 P C -0.448 176.922 177.300 0.117 0.000 1.252 197 P CA 0.456 63.617 63.100 0.102 0.000 0.809 197 P CB 0.263 32.018 31.700 0.091 0.000 1.017 198 E N 0.191 120.504 120.200 0.188 0.000 2.923 198 E HA 0.239 4.589 4.350 -0.000 0.000 0.266 198 E C -0.684 176.059 176.600 0.237 0.000 1.157 198 E CA -0.373 56.118 56.400 0.152 0.000 0.795 198 E CB -0.079 29.676 29.700 0.092 0.000 1.454 198 E HN 0.305 nan 8.360 nan 0.000 0.386 199 L N 3.736 125.064 121.223 0.175 0.000 2.562 199 L HA 0.204 4.544 4.340 -0.000 0.000 0.271 199 L C 0.461 177.433 176.870 0.170 0.000 1.167 199 L CA 0.585 55.546 54.840 0.201 0.000 0.917 199 L CB 0.052 42.183 42.059 0.121 0.000 1.187 199 L HN 0.334 nan 8.230 nan 0.000 0.482 200 R N 2.873 123.560 120.500 0.311 0.000 2.628 200 R HA 0.580 4.920 4.340 -0.000 0.000 0.288 200 R C -1.278 175.187 176.300 0.274 0.000 0.980 200 R CA -0.676 55.544 56.100 0.201 0.000 0.891 200 R CB 1.931 32.234 30.300 0.005 0.000 1.188 200 R HN 0.337 nan 8.270 nan 0.000 0.450 201 V N 5.463 125.479 119.914 0.169 0.000 2.732 201 V HA 0.252 4.372 4.120 -0.000 0.000 0.297 201 V C 0.227 176.439 176.094 0.196 0.000 1.060 201 V CA -0.544 61.857 62.300 0.168 0.000 1.038 201 V CB 1.388 33.282 31.823 0.118 0.000 1.003 201 V HN 0.629 nan 8.190 nan 0.000 0.481 202 L N 4.748 126.101 121.223 0.217 0.000 2.259 202 L HA 0.373 4.713 4.340 -0.000 0.000 0.288 202 L C 0.682 177.683 176.870 0.219 0.000 1.051 202 L CA -0.110 54.871 54.840 0.236 0.000 0.824 202 L CB 1.025 43.245 42.059 0.269 0.000 1.206 202 L HN 0.812 nan 8.230 nan 0.000 0.429 203 S N 0.263 116.053 115.700 0.150 0.000 2.592 203 S HA 0.171 4.640 4.470 -0.000 0.000 0.271 203 S C 1.323 175.937 174.600 0.024 0.000 1.326 203 S CA -0.153 58.096 58.200 0.082 0.000 1.024 203 S CB 1.383 64.619 63.200 0.060 0.000 0.921 203 S HN 0.715 nan 8.310 nan 0.000 0.527 204 T N 0.959 115.432 114.554 -0.136 0.000 2.622 204 T HA -0.192 4.157 4.350 -0.000 0.000 0.266 204 T C 1.350 175.980 174.700 -0.116 0.000 1.047 204 T CA 1.654 63.567 62.100 -0.312 0.000 1.159 204 T CB -1.157 67.425 68.868 -0.477 0.000 0.863 204 T HN 0.748 nan 8.240 nan 0.000 0.422 205 E N 1.481 121.637 120.200 -0.072 0.000 2.136 205 E HA -0.228 4.122 4.350 -0.000 0.000 0.202 205 E C 2.171 178.781 176.600 0.018 0.000 1.019 205 E CA 1.742 58.128 56.400 -0.024 0.000 0.819 205 E CB -0.345 29.350 29.700 -0.009 0.000 0.739 205 E HN 0.783 nan 8.360 nan 0.000 0.458 206 E N 0.304 120.531 120.200 0.044 0.000 2.005 206 E HA -0.230 4.120 4.350 -0.000 0.000 0.198 206 E C 1.974 178.647 176.600 0.122 0.000 1.010 206 E CA 1.351 57.802 56.400 0.085 0.000 0.825 206 E CB -0.019 29.746 29.700 0.109 0.000 0.769 206 E HN 0.106 nan 8.360 nan 0.000 0.456 207 I N 1.662 122.330 120.570 0.164 0.000 2.039 207 I HA -0.331 3.839 4.170 -0.000 0.000 0.233 207 I C 2.870 179.162 176.117 0.291 0.000 1.040 207 I CA 1.317 62.790 61.300 0.288 0.000 1.308 207 I CB -1.584 36.615 38.000 0.331 0.000 1.035 207 I HN 0.432 nan 8.210 nan 0.000 0.392 208 L N 0.987 122.275 121.223 0.110 0.000 2.058 208 L HA -0.376 3.964 4.340 -0.000 0.000 0.226 208 L C 2.581 179.510 176.870 0.098 0.000 1.089 208 L CA 2.521 57.389 54.840 0.047 0.000 0.799 208 L CB -0.590 41.452 42.059 -0.028 0.000 0.900 208 L HN 0.445 nan 8.230 nan 0.000 0.442 209 N N 0.417 119.149 118.700 0.053 0.000 2.025 209 N HA -0.259 4.481 4.740 -0.000 0.000 0.194 209 N C 1.938 177.459 175.510 0.018 0.000 1.044 209 N CA 2.576 55.609 53.050 -0.028 0.000 0.851 209 N CB -0.339 38.141 38.487 -0.010 0.000 1.036 209 N HN 0.544 nan 8.380 nan 0.000 0.422 210 I N 0.302 120.955 120.570 0.137 0.000 2.185 210 I HA -0.322 3.847 4.170 -0.000 0.000 0.246 210 I C 2.034 178.225 176.117 0.124 0.000 1.088 210 I CA 1.359 62.746 61.300 0.144 0.000 1.347 210 I CB -0.437 37.632 38.000 0.115 0.000 1.041 210 I HN 0.080 nan 8.210 nan 0.000 0.415 211 F N 1.057 121.024 119.950 0.028 0.000 2.075 211 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 211 F C 2.530 178.345 175.800 0.024 0.000 1.113 211 F CA 1.521 59.538 58.000 0.027 0.000 1.218 211 F CB -0.615 38.395 39.000 0.017 0.000 0.984 211 F HN -0.126 nan 8.300 nan 0.000 0.472 212 K N -0.651 119.846 120.400 0.161 0.000 2.077 212 K HA -0.259 4.061 4.320 -0.000 0.000 0.213 212 K C 1.908 178.501 176.600 -0.012 0.000 1.051 212 K CA 1.894 58.193 56.287 0.021 0.000 0.929 212 K CB -0.568 31.853 32.500 -0.130 0.000 0.715 212 K HN 0.327 nan 8.250 nan 0.000 0.451 213 H N 0.426 119.502 119.070 0.010 0.000 2.456 213 H HA 0.029 4.585 4.556 -0.000 0.000 0.296 213 H C 0.762 176.018 175.328 -0.121 0.000 1.079 213 H CA 0.488 56.507 56.048 -0.048 0.000 1.322 213 H CB -0.444 29.304 29.762 -0.024 0.000 1.388 213 H HN 0.139 nan 8.280 nan 0.000 0.538 214 I N 1.607 122.174 120.570 -0.005 0.000 2.906 214 I HA -0.171 3.999 4.170 -0.000 0.000 0.302 214 I C 1.195 177.096 176.117 -0.361 0.000 1.220 214 I CA 0.367 61.587 61.300 -0.134 0.000 1.441 214 I CB 0.237 38.182 38.000 -0.090 0.000 1.336 214 I HN 0.099 nan 8.210 nan 0.000 0.565 215 S N 4.546 120.064 115.700 -0.303 0.000 2.566 215 S HA 0.052 4.522 4.470 -0.000 0.000 0.280 215 S C 1.308 175.529 174.600 -0.633 0.000 1.343 215 S CA -0.783 57.198 58.200 -0.364 0.000 1.036 215 S CB 1.010 64.095 63.200 -0.193 0.000 0.866 215 S HN 0.381 nan 8.310 nan 0.000 0.526 216 V N 5.466 125.056 119.914 -0.540 0.000 2.255 216 V HA -0.165 3.955 4.120 -0.000 0.000 0.247 216 V C 2.458 178.462 176.094 -0.150 0.000 1.051 216 V CA 1.942 63.961 62.300 -0.469 0.000 1.018 216 V CB -0.830 30.888 31.823 -0.175 0.000 0.641 216 V HN 0.849 nan 8.190 nan 0.000 0.445 217 K N -0.374 119.972 120.400 -0.091 0.000 2.217 217 K HA -0.128 4.191 4.320 -0.000 0.000 0.202 217 K C 1.911 178.527 176.600 0.027 0.000 1.051 217 K CA 1.184 57.471 56.287 -0.000 0.000 0.952 217 K CB -0.240 32.253 32.500 -0.012 0.000 0.736 217 K HN 0.463 nan 8.250 nan 0.000 0.453 218 D N 0.627 121.005 120.400 -0.037 0.000 2.117 218 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 218 D C 1.616 178.004 176.300 0.147 0.000 0.982 218 D CA 0.829 54.838 54.000 0.015 0.000 0.828 218 D CB -0.203 40.563 40.800 -0.056 0.000 0.967 218 D HN 0.114 nan 8.370 nan 0.000 0.464 219 F N 1.350 121.306 119.950 0.010 0.000 2.052 219 F HA -0.348 4.178 4.527 -0.000 0.000 0.297 219 F C 2.709 178.600 175.800 0.152 0.000 1.166 219 F CA 1.483 59.496 58.000 0.022 0.000 1.218 219 F CB -0.694 38.320 39.000 0.023 0.000 0.943 219 F HN -0.005 nan 8.300 nan 0.000 0.521 220 T N -0.371 114.419 114.554 0.393 0.000 2.597 220 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 220 T C 1.913 176.747 174.700 0.223 0.000 1.053 220 T CA 1.748 64.002 62.100 0.256 0.000 1.165 220 T CB -0.827 68.147 68.868 0.176 0.000 0.863 220 T HN 0.231 nan 8.240 nan 0.000 0.427 221 S N 1.370 117.177 115.700 0.180 0.000 2.429 221 S HA -0.195 4.275 4.470 -0.000 0.000 0.251 221 S C 1.854 176.577 174.600 0.205 0.000 1.104 221 S CA 1.416 59.705 58.200 0.148 0.000 1.130 221 S CB -0.772 62.493 63.200 0.109 0.000 1.000 221 S HN 0.322 nan 8.310 nan 0.000 0.449 222 L N -0.433 120.968 121.223 0.296 0.000 1.925 222 L HA 0.052 4.392 4.340 -0.000 0.000 0.214 222 L C 1.922 179.044 176.870 0.421 0.000 1.091 222 L CA 1.473 56.584 54.840 0.451 0.000 0.768 222 L CB -0.408 42.018 42.059 0.612 0.000 0.887 222 L HN 0.553 nan 8.230 nan 0.000 0.433 223 G N -2.878 106.143 108.800 0.369 0.000 5.310 223 G HA2 0.155 4.114 3.960 -0.000 0.000 0.203 223 G HA3 0.155 4.114 3.960 -0.000 0.000 0.203 223 G C -0.495 174.267 174.900 -0.230 0.000 0.800 223 G CA -0.512 44.604 45.100 0.027 0.000 0.754 223 G HN 0.016 nan 8.290 nan 0.000 0.308 224 F N 0.612 120.542 119.950 -0.033 0.000 2.561 224 F HA 0.736 5.263 4.527 -0.000 0.000 0.312 224 F C 0.520 176.292 175.800 -0.046 0.000 1.105 224 F CA -1.311 56.642 58.000 -0.078 0.000 1.092 224 F CB 0.885 39.803 39.000 -0.137 0.000 1.893 224 F HN 0.033 nan 8.300 nan 0.000 0.555 225 N N -0.603 118.186 118.700 0.149 0.000 2.503 225 N HA 0.093 4.833 4.740 -0.000 0.000 0.287 225 N C -0.103 175.410 175.510 0.005 0.000 1.096 225 N CA -0.219 52.864 53.050 0.055 0.000 0.936 225 N CB 1.291 39.801 38.487 0.038 0.000 1.570 225 N HN 0.607 nan 8.380 nan 0.000 0.504 226 E N 2.050 122.276 120.200 0.044 0.000 2.331 226 E HA -0.121 4.229 4.350 -0.000 0.000 0.199 226 E C 0.209 176.857 176.600 0.081 0.000 1.008 226 E CA 1.376 57.835 56.400 0.099 0.000 0.843 226 E CB 0.300 30.088 29.700 0.146 0.000 0.761 226 E HN 0.503 nan 8.360 nan 0.000 0.507 227 V N -1.164 118.752 119.914 0.004 0.000 3.359 227 V HA 0.067 4.187 4.120 -0.000 0.000 0.245 227 V C 1.455 177.807 176.094 0.431 0.000 1.247 227 V CA 0.317 62.664 62.300 0.078 0.000 1.145 227 V CB -0.111 31.526 31.823 -0.311 0.000 0.906 227 V HN 0.236 nan 8.190 nan 0.000 0.464 228 F N 1.051 121.112 119.950 0.184 0.000 2.653 228 F HA 0.239 4.766 4.527 -0.000 0.000 0.288 228 F C 1.009 176.880 175.800 0.118 0.000 1.121 228 F CA 0.463 58.502 58.000 0.064 0.000 1.384 228 F CB 0.698 39.698 39.000 0.000 0.000 1.115 228 F HN 0.251 nan 8.300 nan 0.000 0.599 229 S N 0.660 116.640 115.700 0.468 0.000 2.413 229 S HA 0.372 4.842 4.470 -0.000 0.000 0.170 229 S C -0.783 174.062 174.600 0.408 0.000 1.294 229 S CA -0.841 57.642 58.200 0.471 0.000 1.201 229 S CB 0.334 63.672 63.200 0.229 0.000 1.328 229 S HN 0.081 nan 8.310 nan 0.000 0.418 230 R N 2.307 123.024 120.500 0.362 0.000 2.298 230 R HA 0.284 4.624 4.340 -0.000 0.000 0.310 230 R C -1.939 174.181 176.300 -0.299 0.000 1.068 230 R CA -1.961 53.791 56.100 -0.581 0.000 0.957 230 R CB 0.309 29.868 30.300 -1.234 0.000 1.003 230 R HN 0.275 nan 8.270 nan 0.000 0.454 231 P HA -0.320 nan 4.420 nan 0.000 0.219 231 P C 0.800 178.062 177.300 -0.063 0.000 1.158 231 P CA 1.617 64.496 63.100 -0.368 0.000 0.895 231 P CB 0.060 31.487 31.700 -0.456 0.000 0.792 232 E N -2.032 118.120 120.200 -0.079 0.000 2.448 232 E HA -0.218 4.132 4.350 -0.000 0.000 0.203 232 E C 1.154 177.727 176.600 -0.046 0.000 1.046 232 E CA 0.828 57.182 56.400 -0.077 0.000 0.871 232 E CB -0.848 28.773 29.700 -0.132 0.000 0.790 232 E HN 0.385 nan 8.360 nan 0.000 0.545 233 W N 0.220 121.536 121.300 0.027 0.000 2.907 233 W HA 0.314 4.974 4.660 -0.000 0.000 0.271 233 W C 1.680 178.294 176.519 0.159 0.000 1.253 233 W CA -0.222 57.176 57.345 0.088 0.000 1.501 233 W CB -0.161 29.370 29.460 0.118 0.000 1.047 233 W HN 0.099 nan 8.180 nan 0.000 0.610 234 M N 0.226 120.068 119.600 0.404 0.000 2.706 234 M HA -0.092 4.387 4.480 -0.000 0.000 0.253 234 M C 0.212 176.720 176.300 0.346 0.000 1.063 234 M CA 1.329 56.968 55.300 0.564 0.000 1.067 234 M CB -0.467 32.396 32.600 0.439 0.000 1.423 234 M HN -0.305 nan 8.290 nan 0.000 0.530 235 I N 1.543 122.230 120.570 0.196 0.000 2.389 235 I HA 0.260 4.430 4.170 -0.000 0.000 0.288 235 I C -0.459 175.713 176.117 0.092 0.000 0.999 235 I CA -0.807 60.549 61.300 0.093 0.000 1.129 235 I CB 1.615 39.597 38.000 -0.029 0.000 1.288 235 I HN 0.029 nan 8.210 nan 0.000 0.444 236 L N 5.375 126.622 121.223 0.040 0.000 2.361 236 L HA 0.375 4.714 4.340 -0.000 0.000 0.278 236 L C 0.684 177.560 176.870 0.011 0.000 1.113 236 L CA -0.228 54.623 54.840 0.020 0.000 0.849 236 L CB 0.381 42.416 42.059 -0.039 0.000 1.155 236 L HN 0.586 nan 8.230 nan 0.000 0.452 237 T N 0.421 114.999 114.554 0.041 0.000 3.045 237 T HA 0.030 4.380 4.350 -0.000 0.000 0.239 237 T C 0.421 175.127 174.700 0.009 0.000 1.008 237 T CA 0.220 62.336 62.100 0.028 0.000 1.143 237 T CB 0.318 69.224 68.868 0.064 0.000 0.894 237 T HN 0.696 nan 8.240 nan 0.000 0.451 238 C N 2.171 121.485 119.300 0.023 0.000 2.456 238 C HA 0.821 5.281 4.460 -0.000 0.000 0.325 238 C C -1.131 173.842 174.990 -0.029 0.000 1.217 238 C CA -1.182 57.833 59.018 -0.006 0.000 1.687 238 C CB 0.169 27.938 27.740 0.049 0.000 2.270 238 C HN 0.434 nan 8.230 nan 0.000 0.499 239 L N 8.488 129.674 121.223 -0.062 0.000 2.294 239 L HA 0.588 4.928 4.340 -0.000 0.000 0.283 239 L C -2.061 174.780 176.870 -0.047 0.000 1.015 239 L CA -1.963 52.838 54.840 -0.065 0.000 0.831 239 L CB 1.617 43.625 42.059 -0.085 0.000 1.217 239 L HN 0.558 nan 8.230 nan 0.000 0.420 240 P HA 0.009 nan 4.420 nan 0.000 0.268 240 P C -0.777 176.544 177.300 0.036 0.000 1.204 240 P CA 0.006 63.114 63.100 0.014 0.000 0.768 240 P CB 0.950 32.573 31.700 -0.128 0.000 0.842 241 V N 6.388 126.292 119.914 -0.017 0.000 2.288 241 V HA 0.177 4.297 4.120 -0.000 0.000 0.266 241 V C -1.681 174.072 176.094 -0.570 0.000 1.048 241 V CA -1.970 60.214 62.300 -0.194 0.000 0.842 241 V CB 0.660 32.409 31.823 -0.124 0.000 1.064 241 V HN 0.555 nan 8.190 nan 0.000 0.472 242 P HA 0.115 nan 4.420 nan 0.000 0.262 242 P C -2.503 174.452 177.300 -0.575 0.000 1.182 242 P CA -0.805 61.699 63.100 -0.993 0.000 0.761 242 P CB 0.314 31.756 31.700 -0.431 0.000 0.795 243 P HA 0.120 nan 4.420 nan 0.000 0.274 243 P C -1.666 175.525 177.300 -0.181 0.000 1.237 243 P CA -1.650 61.295 63.100 -0.259 0.000 0.793 243 P CB -0.290 31.304 31.700 -0.177 0.000 0.977 244 P HA -0.204 nan 4.420 nan 0.000 0.224 244 P C -1.230 176.009 177.300 -0.102 0.000 1.153 244 P CA 2.896 65.934 63.100 -0.104 0.000 0.947 244 P CB -2.425 29.228 31.700 -0.078 0.000 0.790 245 P HA -0.045 nan 4.420 nan 0.000 0.234 245 P C 1.177 178.430 177.300 -0.079 0.000 1.162 245 P CA 0.834 63.886 63.100 -0.081 0.000 0.759 245 P CB -0.398 31.259 31.700 -0.072 0.000 0.813 246 V N -0.795 119.061 119.914 -0.096 0.000 3.523 246 V HA 0.073 4.193 4.120 -0.000 0.000 0.255 246 V C 1.338 177.379 176.094 -0.088 0.000 1.226 246 V CA 0.571 62.821 62.300 -0.085 0.000 1.092 246 V CB -0.339 31.425 31.823 -0.098 0.000 0.817 246 V HN 0.195 nan 8.190 nan 0.000 0.458 247 R N 1.419 121.857 120.500 -0.103 0.000 2.782 247 R HA 0.308 4.648 4.340 -0.000 0.000 0.293 247 R C -2.941 173.283 176.300 -0.126 0.000 1.333 247 R CA -1.379 54.654 56.100 -0.113 0.000 1.479 247 R CB 0.076 30.311 30.300 -0.108 0.000 1.306 247 R HN 0.198 nan 8.270 nan 0.000 0.654 248 P HA -0.069 nan 4.420 nan 0.000 0.258 248 P C -0.110 177.102 177.300 -0.146 0.000 1.187 248 P CA 0.558 63.588 63.100 -0.117 0.000 0.767 248 P CB 1.044 32.683 31.700 -0.101 0.000 0.770 249 S N 4.029 119.644 115.700 -0.142 0.000 2.503 249 S HA 0.179 4.649 4.470 -0.000 0.000 0.317 249 S C 0.666 175.160 174.600 -0.177 0.000 1.162 249 S CA -0.721 57.380 58.200 -0.166 0.000 1.124 249 S CB -0.905 62.218 63.200 -0.128 0.000 1.207 249 S HN 0.341 nan 8.310 nan 0.000 0.538 250 I N 4.164 124.596 120.570 -0.230 0.000 2.624 250 I HA -0.030 4.140 4.170 -0.000 0.000 0.307 250 I C 0.856 176.749 176.117 -0.374 0.000 1.191 250 I CA -0.078 61.053 61.300 -0.282 0.000 1.708 250 I CB -0.903 36.893 38.000 -0.339 0.000 1.521 250 I HN 0.697 nan 8.210 nan 0.000 0.805 251 S N 5.297 120.862 115.700 -0.225 0.000 2.455 251 S HA 0.280 4.750 4.470 -0.000 0.000 0.278 251 S C -0.213 174.350 174.600 -0.061 0.000 1.216 251 S CA -0.539 57.569 58.200 -0.154 0.000 1.055 251 S CB 0.098 63.260 63.200 -0.064 0.000 0.939 251 S HN 0.381 nan 8.310 nan 0.000 0.494 252 F N 4.898 124.842 119.950 -0.011 0.000 2.566 252 F HA 0.180 4.707 4.527 -0.000 0.000 0.349 252 F C 1.073 176.869 175.800 -0.006 0.000 1.245 252 F CA -0.415 57.580 58.000 -0.008 0.000 1.169 252 F CB -0.442 38.556 39.000 -0.004 0.000 1.470 252 F HN 0.789 nan 8.300 nan 0.000 0.634 253 N N 1.640 120.450 118.700 0.183 0.000 1.517 253 N HA -0.247 4.493 4.740 -0.000 0.000 0.179 253 N C -0.516 175.033 175.510 0.064 0.000 0.833 253 N CA 0.543 53.650 53.050 0.094 0.000 1.150 253 N CB -0.503 38.026 38.487 0.071 0.000 1.449 253 N HN 0.446 nan 8.380 nan 0.000 0.448 254 E N 0.974 121.205 120.200 0.051 0.000 2.317 254 E HA 0.440 4.790 4.350 -0.000 0.000 0.270 254 E C -0.232 176.391 176.600 0.038 0.000 0.885 254 E CA 0.205 56.626 56.400 0.035 0.000 0.760 254 E CB 1.979 31.693 29.700 0.022 0.000 1.227 254 E HN 0.732 nan 8.360 nan 0.000 0.434 255 S N 0.794 116.513 115.700 0.032 0.000 3.445 255 S HA -0.284 4.186 4.470 -0.000 0.000 0.319 255 S C 0.040 174.669 174.600 0.047 0.000 1.209 255 S CA 1.129 59.348 58.200 0.032 0.000 0.934 255 S CB -1.599 61.616 63.200 0.025 0.000 0.999 255 S HN 0.595 nan 8.310 nan 0.000 0.582 256 Q N 0.168 120.007 119.800 0.065 0.000 2.375 256 Q HA 0.534 4.873 4.340 -0.000 0.000 0.271 256 Q C 0.207 176.262 176.000 0.091 0.000 1.074 256 Q CA -1.162 54.700 55.803 0.099 0.000 0.808 256 Q CB 1.682 30.511 28.738 0.151 0.000 1.327 256 Q HN 0.461 nan 8.270 nan 0.000 0.441 257 R N -0.357 120.201 120.500 0.097 0.000 3.016 257 R HA 0.204 4.544 4.340 -0.000 0.000 0.285 257 R C 0.817 177.094 176.300 -0.039 0.000 1.041 257 R CA 1.070 57.204 56.100 0.057 0.000 1.196 257 R CB 0.067 30.424 30.300 0.095 0.000 1.160 257 R HN 0.908 nan 8.270 nan 0.000 0.530 258 G N -1.260 107.482 108.800 -0.096 0.000 4.371 258 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.160 258 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.160 258 G C -0.987 173.763 174.900 -0.249 0.000 1.271 258 G CA -0.660 44.297 45.100 -0.238 0.000 0.982 258 G HN 0.435 nan 8.290 nan 0.000 0.318 259 E N 2.362 122.429 120.200 -0.220 0.000 0.982 259 E HA -0.155 4.195 4.350 -0.000 0.000 0.366 259 E C -0.051 176.226 176.600 -0.538 0.000 0.603 259 E CA 0.716 56.920 56.400 -0.327 0.000 1.386 259 E CB -0.076 29.461 29.700 -0.272 0.000 0.296 259 E HN 0.585 nan 8.360 nan 0.000 0.374 260 D N 2.306 122.462 120.400 -0.406 0.000 2.423 260 D HA -0.089 4.550 4.640 -0.000 0.000 0.238 260 D C 0.974 176.988 176.300 -0.477 0.000 1.142 260 D CA -0.246 53.534 54.000 -0.366 0.000 0.884 260 D CB 0.703 41.368 40.800 -0.226 0.000 1.199 260 D HN 0.260 nan 8.370 nan 0.000 0.438 261 D N 2.408 122.609 120.400 -0.333 0.000 2.172 261 D HA -0.191 4.449 4.640 -0.000 0.000 0.196 261 D C 1.967 178.201 176.300 -0.110 0.000 0.999 261 D CA 0.856 54.729 54.000 -0.212 0.000 0.856 261 D CB -0.013 40.741 40.800 -0.076 0.000 0.934 261 D HN 0.437 nan 8.370 nan 0.000 0.453 262 L N -0.049 121.117 121.223 -0.095 0.000 2.005 262 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 262 L C 2.374 179.243 176.870 -0.003 0.000 1.072 262 L CA 1.570 56.413 54.840 0.005 0.000 0.744 262 L CB -0.592 41.474 42.059 0.011 0.000 0.895 262 L HN 0.073 nan 8.230 nan 0.000 0.433 263 T N -0.281 114.215 114.554 -0.097 0.000 2.802 263 T HA -0.264 4.085 4.350 -0.000 0.000 0.269 263 T C 1.562 176.300 174.700 0.064 0.000 1.062 263 T CA 1.647 63.702 62.100 -0.076 0.000 1.133 263 T CB -0.445 68.331 68.868 -0.154 0.000 0.852 263 T HN 0.256 nan 8.240 nan 0.000 0.485 264 F N 0.982 120.902 119.950 -0.050 0.000 2.074 264 F HA 0.000 4.527 4.527 -0.000 0.000 0.293 264 F C 2.610 178.351 175.800 -0.098 0.000 1.116 264 F CA 0.693 58.658 58.000 -0.059 0.000 1.212 264 F CB -0.155 38.820 39.000 -0.041 0.000 0.998 264 F HN 0.005 nan 8.300 nan 0.000 0.471 265 K N 1.155 121.636 120.400 0.134 0.000 2.228 265 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 265 K C 1.569 178.074 176.600 -0.159 0.000 1.045 265 K CA 1.222 57.492 56.287 -0.028 0.000 0.931 265 K CB -0.394 32.156 32.500 0.084 0.000 0.727 265 K HN 0.281 nan 8.250 nan 0.000 0.458 266 L N -0.862 120.280 121.223 -0.134 0.000 2.084 266 L HA 0.040 4.380 4.340 -0.000 0.000 0.202 266 L C 2.469 179.258 176.870 -0.135 0.000 1.074 266 L CA 0.922 55.617 54.840 -0.242 0.000 0.757 266 L CB -0.767 41.157 42.059 -0.225 0.000 0.918 266 L HN 0.210 nan 8.230 nan 0.000 0.444 267 A N 0.180 122.973 122.820 -0.045 0.000 1.927 267 A HA -0.304 4.016 4.320 -0.000 0.000 0.220 267 A C 1.903 179.462 177.584 -0.042 0.000 1.185 267 A CA 2.363 54.393 52.037 -0.011 0.000 0.639 267 A CB -0.703 18.327 19.000 0.050 0.000 0.820 267 A HN 0.397 nan 8.150 nan 0.000 0.451 268 D N -0.075 120.264 120.400 -0.102 0.000 2.088 268 D HA -0.146 4.494 4.640 -0.000 0.000 0.191 268 D C 1.908 178.196 176.300 -0.019 0.000 0.992 268 D CA 1.432 55.333 54.000 -0.165 0.000 0.831 268 D CB -0.449 39.989 40.800 -0.605 0.000 0.973 268 D HN 0.504 nan 8.370 nan 0.000 0.447 269 I N 0.469 120.976 120.570 -0.104 0.000 2.145 269 I HA -0.285 3.885 4.170 -0.000 0.000 0.244 269 I C 2.389 178.530 176.117 0.039 0.000 1.075 269 I CA 0.624 61.956 61.300 0.054 0.000 1.332 269 I CB -0.266 37.664 38.000 -0.117 0.000 1.033 269 I HN 0.084 nan 8.210 nan 0.000 0.410 270 L N 1.247 122.456 121.223 -0.024 0.000 1.971 270 L HA -0.252 4.088 4.340 -0.000 0.000 0.215 270 L C 2.445 179.322 176.870 0.011 0.000 1.072 270 L CA 1.986 56.816 54.840 -0.017 0.000 0.758 270 L CB -0.945 41.102 42.059 -0.020 0.000 0.889 270 L HN 0.131 nan 8.230 nan 0.000 0.433 271 K N -0.287 120.126 120.400 0.023 0.000 2.000 271 K HA -0.228 4.092 4.320 -0.000 0.000 0.218 271 K C 2.052 178.675 176.600 0.038 0.000 1.053 271 K CA 1.930 58.231 56.287 0.024 0.000 0.946 271 K CB -0.819 31.700 32.500 0.032 0.000 0.723 271 K HN 0.494 nan 8.250 nan 0.000 0.446 272 A N 1.547 124.421 122.820 0.091 0.000 2.009 272 A HA -0.332 3.988 4.320 -0.000 0.000 0.222 272 A C 1.950 179.554 177.584 0.033 0.000 1.175 272 A CA 2.389 54.468 52.037 0.070 0.000 0.651 272 A CB -0.897 18.179 19.000 0.127 0.000 0.815 272 A HN 0.464 nan 8.150 nan 0.000 0.459 273 N N -0.249 118.470 118.700 0.031 0.000 2.124 273 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 273 N C 1.560 177.069 175.510 -0.001 0.000 1.045 273 N CA 1.669 54.724 53.050 0.008 0.000 0.846 273 N CB -0.361 38.123 38.487 -0.005 0.000 1.020 273 N HN 0.433 nan 8.380 nan 0.000 0.432 274 I N 0.673 121.238 120.570 -0.008 0.000 2.121 274 I HA -0.408 3.762 4.170 -0.000 0.000 0.243 274 I C 2.492 178.600 176.117 -0.015 0.000 1.047 274 I CA 1.785 63.074 61.300 -0.019 0.000 1.308 274 I CB -0.890 37.088 38.000 -0.035 0.000 1.015 274 I HN 0.388 nan 8.210 nan 0.000 0.410 275 S N 1.484 117.177 115.700 -0.012 0.000 2.368 275 S HA -0.281 4.189 4.470 -0.000 0.000 0.226 275 S C 2.053 176.647 174.600 -0.010 0.000 1.044 275 S CA 1.726 59.918 58.200 -0.014 0.000 1.062 275 S CB -1.051 62.141 63.200 -0.013 0.000 0.931 275 S HN 0.382 nan 8.310 nan 0.000 0.440 276 L N 2.220 123.440 121.223 -0.006 0.000 1.990 276 L HA -0.125 4.215 4.340 -0.000 0.000 0.213 276 L C 2.808 179.680 176.870 0.003 0.000 1.072 276 L CA 2.612 57.450 54.840 -0.003 0.000 0.755 276 L CB -0.950 41.108 42.059 -0.001 0.000 0.889 276 L HN 0.602 nan 8.230 nan 0.000 0.432 277 E N -1.332 118.876 120.200 0.013 0.000 2.058 277 E HA -0.244 4.105 4.350 -0.000 0.000 0.194 277 E C 1.849 178.485 176.600 0.060 0.000 0.997 277 E CA 2.026 58.451 56.400 0.043 0.000 0.801 277 E CB -0.154 29.580 29.700 0.057 0.000 0.746 277 E HN 0.583 nan 8.360 nan 0.000 0.450 278 T N 1.826 116.398 114.554 0.030 0.000 2.881 278 T HA -0.064 4.286 4.350 -0.000 0.000 0.270 278 T C 1.804 176.510 174.700 0.008 0.000 1.068 278 T CA 0.785 62.898 62.100 0.022 0.000 1.131 278 T CB -0.081 68.781 68.868 -0.010 0.000 0.871 278 T HN 0.204 nan 8.240 nan 0.000 0.479 279 L N 0.298 121.516 121.223 -0.008 0.000 2.465 279 L HA 0.044 4.384 4.340 -0.000 0.000 0.224 279 L C 2.268 179.109 176.870 -0.049 0.000 1.145 279 L CA 1.085 55.906 54.840 -0.032 0.000 0.834 279 L CB -0.418 41.622 42.059 -0.032 0.000 0.944 279 L HN 0.381 nan 8.230 nan 0.000 0.451 280 E N -1.363 118.822 120.200 -0.024 0.000 2.110 280 E HA -0.038 4.312 4.350 -0.000 0.000 0.194 280 E C 1.758 178.338 176.600 -0.034 0.000 0.944 280 E CA -0.204 56.166 56.400 -0.050 0.000 0.899 280 E CB 0.076 29.743 29.700 -0.055 0.000 0.907 280 E HN 0.316 nan 8.360 nan 0.000 0.473 281 H N 0.803 119.852 119.070 -0.035 0.000 2.550 281 H HA -0.011 4.545 4.556 -0.000 0.000 0.292 281 H C 0.252 175.558 175.328 -0.037 0.000 1.072 281 H CA 0.901 56.931 56.048 -0.029 0.000 1.217 281 H CB 0.132 29.879 29.762 -0.025 0.000 1.355 281 H HN 0.082 nan 8.280 nan 0.000 0.586 282 N N -1.593 117.142 118.700 0.059 0.000 3.439 282 N HA 0.123 4.863 4.740 -0.000 0.000 0.343 282 N C 0.191 175.674 175.510 -0.046 0.000 1.597 282 N CA -0.266 52.789 53.050 0.009 0.000 0.733 282 N CB -0.215 38.274 38.487 0.003 0.000 1.973 282 N HN 0.013 nan 8.380 nan 0.000 0.646 283 G N 0.232 109.001 108.800 -0.052 0.000 2.384 283 G HA2 0.251 4.211 3.960 -0.000 0.000 0.289 283 G HA3 0.251 4.211 3.960 -0.000 0.000 0.289 283 G C -0.044 174.781 174.900 -0.125 0.000 0.823 283 G CA 0.215 45.267 45.100 -0.081 0.000 1.740 283 G HN 0.577 nan 8.290 nan 0.000 0.422 284 A N 5.628 128.318 122.820 -0.217 0.000 2.506 284 A HA 0.583 4.903 4.320 -0.000 0.000 0.320 284 A C -0.931 176.392 177.584 -0.435 0.000 1.424 284 A CA -1.510 50.331 52.037 -0.326 0.000 1.044 284 A CB 0.783 19.524 19.000 -0.431 0.000 1.140 284 A HN 0.486 nan 8.150 nan 0.000 0.538 285 P HA -0.073 nan 4.420 nan 0.000 0.271 285 P C 0.643 177.898 177.300 -0.076 0.000 1.535 285 P CA 0.222 63.247 63.100 -0.126 0.000 0.820 285 P CB -0.408 31.259 31.700 -0.054 0.000 1.606 286 H N 0.990 120.004 119.070 -0.094 0.000 1.452 286 H HA -0.254 4.302 4.556 -0.000 0.000 0.090 286 H C 1.100 176.336 175.328 -0.154 0.000 1.165 286 H CA 2.143 58.079 56.048 -0.187 0.000 1.901 286 H CB -1.910 27.654 29.762 -0.330 0.000 2.257 286 H HN 0.452 nan 8.280 nan 0.000 0.961 287 H N 1.451 120.614 119.070 0.155 0.000 2.602 287 H HA 0.252 4.808 4.556 -0.000 0.000 0.285 287 H C 1.454 176.809 175.328 0.045 0.000 1.093 287 H CA 0.860 56.953 56.048 0.075 0.000 1.201 287 H CB -0.399 29.395 29.762 0.053 0.000 1.294 287 H HN 0.475 nan 8.280 nan 0.000 0.633 288 A N -0.337 122.546 122.820 0.106 0.000 2.382 288 A HA 0.193 4.513 4.320 -0.000 0.000 0.228 288 A C 2.124 179.726 177.584 0.030 0.000 1.217 288 A CA -0.262 51.809 52.037 0.057 0.000 0.923 288 A CB 0.293 19.310 19.000 0.028 0.000 0.979 288 A HN 0.216 nan 8.150 nan 0.000 0.515 289 I N 0.609 121.198 120.570 0.031 0.000 2.296 289 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 289 I C 2.477 178.613 176.117 0.031 0.000 1.087 289 I CA 1.391 62.699 61.300 0.014 0.000 1.393 289 I CB -0.357 37.645 38.000 0.004 0.000 1.093 289 I HN 0.550 nan 8.210 nan 0.000 0.421 290 E N 1.593 121.830 120.200 0.061 0.000 2.284 290 E HA -0.290 4.060 4.350 -0.000 0.000 0.200 290 E C 1.431 178.059 176.600 0.047 0.000 1.008 290 E CA 1.489 57.929 56.400 0.066 0.000 0.829 290 E CB -0.486 29.279 29.700 0.108 0.000 0.744 290 E HN 0.613 nan 8.360 nan 0.000 0.491 291 E N 0.424 120.648 120.200 0.040 0.000 2.285 291 E HA 0.012 4.361 4.350 -0.000 0.000 0.194 291 E C 1.515 178.115 176.600 -0.002 0.000 0.997 291 E CA 0.772 57.184 56.400 0.020 0.000 0.845 291 E CB 0.195 29.906 29.700 0.020 0.000 0.782 291 E HN 0.433 nan 8.360 nan 0.000 0.491 292 A N 0.574 123.393 122.820 -0.001 0.000 2.431 292 A HA 0.070 4.390 4.320 -0.000 0.000 0.239 292 A C 1.650 179.228 177.584 -0.011 0.000 1.230 292 A CA -0.238 51.789 52.037 -0.017 0.000 0.928 292 A CB 0.252 19.242 19.000 -0.017 0.000 1.006 292 A HN 0.113 nan 8.150 nan 0.000 0.520 293 E N 0.641 120.844 120.200 0.004 0.000 2.065 293 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 293 E C 2.030 178.642 176.600 0.019 0.000 0.960 293 E CA 1.137 57.543 56.400 0.010 0.000 0.824 293 E CB -0.031 29.680 29.700 0.018 0.000 0.793 293 E HN 0.546 nan 8.360 nan 0.000 0.459 294 S N 1.667 117.385 115.700 0.030 0.000 2.428 294 S HA -0.260 4.210 4.470 -0.000 0.000 0.240 294 S C 2.059 176.693 174.600 0.056 0.000 1.036 294 S CA 1.455 59.687 58.200 0.053 0.000 1.009 294 S CB -0.720 62.508 63.200 0.047 0.000 0.803 294 S HN 0.388 nan 8.310 nan 0.000 0.486 295 L N 0.852 122.073 121.223 -0.002 0.000 2.017 295 L HA 0.089 4.428 4.340 -0.000 0.000 0.208 295 L C 2.251 179.121 176.870 -0.001 0.000 1.073 295 L CA 1.667 56.471 54.840 -0.060 0.000 0.745 295 L CB -0.937 41.043 42.059 -0.131 0.000 0.894 295 L HN 0.346 nan 8.230 nan 0.000 0.432 296 L N -0.060 121.173 121.223 0.017 0.000 2.017 296 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 296 L C 2.591 179.522 176.870 0.103 0.000 1.073 296 L CA 2.146 57.021 54.840 0.059 0.000 0.745 296 L CB -0.979 41.101 42.059 0.034 0.000 0.894 296 L HN 0.593 nan 8.230 nan 0.000 0.432 297 Q N -1.393 118.465 119.800 0.097 0.000 2.443 297 Q HA -0.249 4.091 4.340 -0.000 0.000 0.213 297 Q C 1.703 177.809 176.000 0.177 0.000 0.982 297 Q CA 1.820 57.695 55.803 0.120 0.000 0.894 297 Q CB -0.454 28.356 28.738 0.120 0.000 0.947 297 Q HN 0.612 nan 8.270 nan 0.000 0.480 298 F N -1.362 118.611 119.950 0.038 0.000 2.208 298 F HA 0.114 4.641 4.527 -0.000 0.000 0.282 298 F C 1.916 177.801 175.800 0.142 0.000 1.071 298 F CA 1.212 59.245 58.000 0.055 0.000 1.228 298 F CB -0.431 38.557 39.000 -0.020 0.000 1.088 298 F HN 0.151 nan 8.300 nan 0.000 0.512 299 H N -0.230 118.896 119.070 0.093 0.000 2.257 299 H HA -0.210 4.346 4.556 -0.000 0.000 0.292 299 H C 2.174 177.454 175.328 -0.081 0.000 1.075 299 H CA 1.904 57.924 56.048 -0.047 0.000 1.212 299 H CB -0.549 29.279 29.762 0.110 0.000 1.354 299 H HN 0.151 nan 8.280 nan 0.000 0.497 300 V N 0.815 120.812 119.914 0.138 0.000 2.944 300 V HA -0.299 3.821 4.120 -0.000 0.000 0.265 300 V C 2.201 178.365 176.094 0.115 0.000 1.125 300 V CA 1.405 63.765 62.300 0.099 0.000 1.145 300 V CB -0.919 30.938 31.823 0.056 0.000 0.725 300 V HN 0.528 nan 8.190 nan 0.000 0.510 301 A N -0.866 121.968 122.820 0.022 0.000 1.881 301 A HA -0.094 4.226 4.320 -0.000 0.000 0.210 301 A C 2.372 179.906 177.584 -0.083 0.000 1.239 301 A CA 1.519 53.548 52.037 -0.014 0.000 0.629 301 A CB -0.868 18.111 19.000 -0.036 0.000 0.906 301 A HN 0.361 nan 8.150 nan 0.000 0.460 302 T N -1.472 112.912 114.554 -0.283 0.000 2.881 302 T HA -0.183 4.166 4.350 -0.000 0.000 0.270 302 T C 1.680 176.336 174.700 -0.073 0.000 1.068 302 T CA 1.777 63.713 62.100 -0.274 0.000 1.131 302 T CB -0.512 67.996 68.868 -0.599 0.000 0.871 302 T HN 0.510 nan 8.240 nan 0.000 0.479 303 Y N 1.209 121.428 120.300 -0.136 0.000 2.193 303 Y HA -0.138 4.412 4.550 -0.000 0.000 0.285 303 Y C 1.961 177.841 175.900 -0.033 0.000 1.166 303 Y CA 1.687 59.742 58.100 -0.075 0.000 1.181 303 Y CB -0.354 38.069 38.460 -0.062 0.000 0.976 303 Y HN 0.280 nan 8.280 nan 0.000 0.520 304 M N -1.106 118.397 119.600 -0.162 0.000 2.412 304 M HA 0.045 4.525 4.480 -0.000 0.000 0.263 304 M C -0.148 176.113 176.300 -0.065 0.000 1.122 304 M CA 0.939 56.120 55.300 -0.199 0.000 1.179 304 M CB 0.254 32.844 32.600 -0.016 0.000 1.335 304 M HN 0.018 nan 8.290 nan 0.000 0.465 305 D N -0.117 120.264 120.400 -0.032 0.000 2.757 305 D HA 0.197 4.837 4.640 -0.000 0.000 0.249 305 D C -0.722 175.555 176.300 -0.039 0.000 1.168 305 D CA -0.068 53.922 54.000 -0.016 0.000 0.870 305 D CB 1.280 42.087 40.800 0.012 0.000 1.411 305 D HN -0.072 nan 8.370 nan 0.000 0.525 306 N N 2.280 120.964 118.700 -0.027 0.000 2.273 306 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 306 N C -0.845 174.671 175.510 0.010 0.000 1.132 306 N CA 0.134 53.175 53.050 -0.016 0.000 0.887 306 N CB 0.664 39.149 38.487 -0.002 0.000 1.048 306 N HN 0.426 nan 8.380 nan 0.000 0.490 307 D N 1.911 122.314 120.400 0.006 0.000 2.563 307 D HA 0.205 4.845 4.640 -0.000 0.000 0.222 307 D C 0.766 177.073 176.300 0.013 0.000 1.145 307 D CA -0.019 53.987 54.000 0.011 0.000 1.001 307 D CB 0.689 41.490 40.800 0.002 0.000 1.049 307 D HN 0.334 nan 8.370 nan 0.000 0.515 308 I N -0.693 119.891 120.570 0.023 0.000 3.944 308 I HA 0.443 4.613 4.170 -0.000 0.000 0.259 308 I C 1.640 177.774 176.117 0.028 0.000 1.337 308 I CA -1.060 60.254 61.300 0.023 0.000 1.104 308 I CB 0.628 38.646 38.000 0.030 0.000 1.465 308 I HN 0.066 nan 8.210 nan 0.000 0.564 309 A N 0.551 123.389 122.820 0.029 0.000 1.887 309 A HA 0.211 4.531 4.320 -0.000 0.000 0.210 309 A C 1.669 179.278 177.584 0.041 0.000 1.221 309 A CA 0.853 52.908 52.037 0.029 0.000 0.635 309 A CB -1.115 17.898 19.000 0.022 0.000 0.881 309 A HN 0.816 nan 8.150 nan 0.000 0.456 310 G N 0.224 109.055 108.800 0.053 0.000 3.003 310 G HA2 0.308 4.268 3.960 -0.000 0.000 0.266 310 G HA3 0.308 4.268 3.960 -0.000 0.000 0.266 310 G C 0.567 175.517 174.900 0.082 0.000 0.755 310 G CA 0.287 45.426 45.100 0.065 0.000 2.061 310 G HN 0.583 nan 8.290 nan 0.000 0.599 311 Q N 0.491 120.330 119.800 0.064 0.000 2.593 311 Q HA -0.262 4.078 4.340 -0.000 0.000 0.238 311 Q C -1.006 175.051 176.000 0.095 0.000 1.101 311 Q CA 2.042 57.884 55.803 0.066 0.000 1.014 311 Q CB -1.851 26.916 28.738 0.048 0.000 0.951 311 Q HN 0.432 nan 8.270 nan 0.000 0.568 312 P HA -0.201 nan 4.420 nan 0.000 0.075 312 P C -0.428 176.991 177.300 0.198 0.000 0.607 312 P CA 1.027 64.202 63.100 0.125 0.000 1.085 312 P CB -0.362 31.404 31.700 0.110 0.000 1.717 313 Q N 1.999 121.883 119.800 0.141 0.000 2.594 313 Q HA -0.011 4.328 4.340 -0.000 0.000 0.219 313 Q C 0.989 177.101 176.000 0.187 0.000 0.980 313 Q CA 0.723 56.609 55.803 0.139 0.000 0.962 313 Q CB -0.216 28.574 28.738 0.088 0.000 0.987 313 Q HN 0.584 nan 8.270 nan 0.000 0.553 314 A N 0.873 123.867 122.820 0.290 0.000 2.203 314 A HA -0.199 4.121 4.320 -0.000 0.000 0.279 314 A C 0.011 177.718 177.584 0.205 0.000 1.396 314 A CA 0.221 52.475 52.037 0.362 0.000 0.747 314 A CB -2.103 17.227 19.000 0.550 0.000 1.151 314 A HN 0.443 nan 8.150 nan 0.000 0.345 315 L N 0.755 122.063 121.223 0.141 0.000 2.490 315 L HA 0.133 4.473 4.340 -0.000 0.000 0.274 315 L C 1.379 178.306 176.870 0.095 0.000 1.201 315 L CA -0.034 54.866 54.840 0.100 0.000 0.869 315 L CB 0.430 42.532 42.059 0.072 0.000 1.123 315 L HN 0.621 nan 8.230 nan 0.000 0.484 316 Q N 4.789 124.643 119.800 0.089 0.000 2.837 316 Q HA 0.011 4.351 4.340 -0.000 0.000 0.235 316 Q C -0.398 175.639 176.000 0.061 0.000 1.348 316 Q CA -0.079 55.777 55.803 0.089 0.000 0.990 316 Q CB -0.036 28.777 28.738 0.125 0.000 1.570 316 Q HN 0.402 nan 8.270 nan 0.000 0.575 317 K N 1.559 121.983 120.400 0.039 0.000 4.597 317 K HA -0.286 4.034 4.320 -0.000 0.000 0.315 317 K C 0.009 176.627 176.600 0.029 0.000 0.687 317 K CA 1.231 57.532 56.287 0.022 0.000 0.807 317 K CB -0.777 31.721 32.500 -0.005 0.000 2.012 317 K HN 0.851 nan 8.250 nan 0.000 0.351 318 S N -0.473 115.247 115.700 0.034 0.000 4.678 318 S HA -0.006 4.464 4.470 -0.000 0.000 0.040 318 S C 0.889 175.510 174.600 0.036 0.000 0.860 318 S CA 0.360 58.581 58.200 0.035 0.000 0.927 318 S CB -0.979 62.248 63.200 0.046 0.000 0.365 318 S HN 1.254 nan 8.310 nan 0.000 0.802 319 G N 2.295 111.119 108.800 0.039 0.000 2.308 319 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.221 319 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.221 319 G C 0.033 174.959 174.900 0.044 0.000 1.032 319 G CA 0.349 45.472 45.100 0.038 0.000 0.623 319 G HN 0.985 nan 8.290 nan 0.000 0.506 320 R N 2.063 122.592 120.500 0.048 0.000 2.566 320 R HA 0.210 4.550 4.340 -0.000 0.000 0.273 320 R C -1.613 174.722 176.300 0.058 0.000 0.981 320 R CA 0.156 56.286 56.100 0.050 0.000 1.091 320 R CB 0.560 30.895 30.300 0.058 0.000 0.924 320 R HN 0.167 nan 8.270 nan 0.000 0.411 321 P HA 0.035 nan 4.420 nan 0.000 0.245 321 P C -0.843 176.497 177.300 0.066 0.000 1.206 321 P CA 0.135 63.272 63.100 0.061 0.000 0.781 321 P CB 0.405 32.133 31.700 0.048 0.000 0.994 322 V N -0.453 119.497 119.914 0.060 0.000 3.418 322 V HA -0.186 3.934 4.120 -0.000 0.000 0.479 322 V C -0.424 175.689 176.094 0.032 0.000 0.682 322 V CA -0.028 62.308 62.300 0.060 0.000 2.011 322 V CB -0.912 30.963 31.823 0.087 0.000 2.457 322 V HN 0.181 nan 8.190 nan 0.000 0.501 323 K N 5.538 125.946 120.400 0.013 0.000 2.402 323 K HA 0.328 4.647 4.320 -0.000 0.000 0.279 323 K C 0.611 177.196 176.600 -0.024 0.000 1.082 323 K CA 1.017 57.298 56.287 -0.010 0.000 1.080 323 K CB 0.421 32.908 32.500 -0.023 0.000 0.899 323 K HN 0.929 nan 8.250 nan 0.000 0.469 324 S N 2.519 118.199 115.700 -0.034 0.000 2.576 324 S HA 0.190 4.660 4.470 -0.000 0.000 0.276 324 S C 1.518 176.058 174.600 -0.100 0.000 1.339 324 S CA -0.812 57.348 58.200 -0.067 0.000 1.039 324 S CB 0.599 63.767 63.200 -0.054 0.000 0.902 324 S HN 0.500 nan 8.310 nan 0.000 0.516 325 I N 1.552 122.018 120.570 -0.174 0.000 2.113 325 I HA -0.345 3.825 4.170 -0.000 0.000 0.242 325 I C 2.857 178.903 176.117 -0.118 0.000 1.064 325 I CA 2.274 63.470 61.300 -0.172 0.000 1.320 325 I CB -0.517 37.320 38.000 -0.271 0.000 1.028 325 I HN 0.820 nan 8.210 nan 0.000 0.406 326 R N 2.203 122.645 120.500 -0.097 0.000 2.139 326 R HA -0.169 4.171 4.340 -0.000 0.000 0.243 326 R C 1.984 178.233 176.300 -0.086 0.000 1.145 326 R CA 1.846 57.890 56.100 -0.094 0.000 0.976 326 R CB -1.142 29.140 30.300 -0.030 0.000 0.866 326 R HN 0.339 nan 8.270 nan 0.000 0.449 327 A N 0.757 123.536 122.820 -0.067 0.000 2.014 327 A HA 0.014 4.334 4.320 -0.000 0.000 0.218 327 A C 2.076 179.625 177.584 -0.058 0.000 1.163 327 A CA 1.038 53.041 52.037 -0.055 0.000 0.652 327 A CB -0.352 18.623 19.000 -0.041 0.000 0.808 327 A HN 0.402 nan 8.150 nan 0.000 0.449 328 R N -0.481 119.978 120.500 -0.067 0.000 2.092 328 R HA 0.001 4.341 4.340 -0.000 0.000 0.231 328 R C 1.611 177.873 176.300 -0.062 0.000 1.119 328 R CA 1.416 57.479 56.100 -0.062 0.000 0.970 328 R CB -0.341 29.919 30.300 -0.067 0.000 0.864 328 R HN 0.548 nan 8.270 nan 0.000 0.440 329 L N 0.163 121.339 121.223 -0.079 0.000 2.416 329 L HA 0.124 4.464 4.340 -0.000 0.000 0.216 329 L C 0.878 177.701 176.870 -0.078 0.000 1.098 329 L CA -0.045 54.746 54.840 -0.081 0.000 0.840 329 L CB -0.250 41.741 42.059 -0.112 0.000 0.981 329 L HN -0.042 nan 8.230 nan 0.000 0.462 330 K N 2.284 122.636 120.400 -0.081 0.000 2.511 330 K HA 0.002 4.322 4.320 -0.000 0.000 0.277 330 K C 0.730 177.297 176.600 -0.055 0.000 1.025 330 K CA 0.232 56.475 56.287 -0.074 0.000 1.112 330 K CB 0.302 32.763 32.500 -0.064 0.000 0.859 330 K HN 0.197 nan 8.250 nan 0.000 0.485 331 G N 3.763 112.531 108.800 -0.053 0.000 2.281 331 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.236 331 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.236 331 G C -0.509 174.383 174.900 -0.013 0.000 1.053 331 G CA 0.617 45.701 45.100 -0.027 0.000 0.874 331 G HN 0.892 nan 8.290 nan 0.000 0.450 332 K N 1.746 122.150 120.400 0.006 0.000 7.314 332 K HA -0.219 4.101 4.320 -0.000 0.000 0.694 332 K C 0.962 177.558 176.600 -0.006 0.000 2.568 332 K CA 1.438 57.730 56.287 0.008 0.000 1.889 332 K CB -0.265 32.240 32.500 0.010 0.000 2.060 332 K HN 1.027 nan 8.250 nan 0.000 0.284 333 E N -1.397 118.801 120.200 -0.005 0.000 4.250 333 E HA -0.210 4.140 4.350 -0.000 0.000 0.325 333 E C 0.711 177.301 176.600 -0.017 0.000 0.640 333 E CA 2.088 58.482 56.400 -0.011 0.000 1.343 333 E CB -2.256 27.436 29.700 -0.013 0.000 1.759 333 E HN 1.071 nan 8.360 nan 0.000 0.401 334 G N 0.809 109.597 108.800 -0.020 0.000 2.491 334 G HA2 0.151 4.110 3.960 -0.000 0.000 0.238 334 G HA3 0.151 4.110 3.960 -0.000 0.000 0.238 334 G C 0.885 175.769 174.900 -0.027 0.000 1.277 334 G CA 0.473 45.554 45.100 -0.030 0.000 0.851 334 G HN 0.147 nan 8.290 nan 0.000 0.573 335 R N 1.105 121.585 120.500 -0.033 0.000 2.178 335 R HA -0.210 4.130 4.340 -0.000 0.000 0.257 335 R C 2.158 178.445 176.300 -0.022 0.000 1.163 335 R CA 1.655 57.738 56.100 -0.029 0.000 0.981 335 R CB -0.182 30.098 30.300 -0.034 0.000 0.878 335 R HN 0.586 nan 8.270 nan 0.000 0.454 336 I N -0.454 120.102 120.570 -0.024 0.000 2.404 336 I HA -0.106 4.064 4.170 -0.000 0.000 0.231 336 I C 2.271 178.386 176.117 -0.004 0.000 1.064 336 I CA 1.086 62.377 61.300 -0.015 0.000 1.383 336 I CB -1.250 36.739 38.000 -0.020 0.000 1.171 336 I HN 0.201 nan 8.210 nan 0.000 0.422 337 R N 0.491 120.992 120.500 0.003 0.000 2.159 337 R HA -0.131 4.209 4.340 -0.000 0.000 0.237 337 R C 1.789 178.095 176.300 0.009 0.000 1.131 337 R CA 1.506 57.616 56.100 0.017 0.000 0.982 337 R CB -0.374 29.945 30.300 0.032 0.000 0.868 337 R HN 0.525 nan 8.270 nan 0.000 0.453 338 G N -1.519 107.281 108.800 0.000 0.000 3.192 338 G HA2 0.001 3.961 3.960 -0.000 0.000 0.239 338 G HA3 0.001 3.961 3.960 -0.000 0.000 0.239 338 G C 0.834 175.731 174.900 -0.006 0.000 1.084 338 G CA -0.258 44.841 45.100 -0.002 0.000 0.784 338 G HN 0.204 nan 8.290 nan 0.000 0.540 339 N N -0.384 118.311 118.700 -0.009 0.000 2.474 339 N HA 0.178 4.918 4.740 -0.000 0.000 0.224 339 N C 1.737 177.240 175.510 -0.012 0.000 1.092 339 N CA 0.079 53.122 53.050 -0.011 0.000 0.844 339 N CB 0.613 39.092 38.487 -0.014 0.000 1.381 339 N HN 0.188 nan 8.380 nan 0.000 0.458 340 L N 0.303 121.519 121.223 -0.012 0.000 2.388 340 L HA 0.233 4.573 4.340 -0.000 0.000 0.209 340 L C 1.712 178.574 176.870 -0.014 0.000 1.061 340 L CA 0.408 55.240 54.840 -0.013 0.000 0.834 340 L CB -0.008 42.045 42.059 -0.011 0.000 1.029 340 L HN -0.024 nan 8.230 nan 0.000 0.473 341 M N -0.422 119.172 119.600 -0.009 0.000 2.506 341 M HA 0.248 4.728 4.480 -0.000 0.000 0.260 341 M C 0.782 177.072 176.300 -0.016 0.000 1.104 341 M CA 0.336 55.629 55.300 -0.011 0.000 1.112 341 M CB -0.414 32.186 32.600 -0.000 0.000 1.401 341 M HN 0.135 nan 8.290 nan 0.000 0.473 342 G N 0.951 109.742 108.800 -0.014 0.000 2.513 342 G HA2 0.465 4.425 3.960 -0.000 0.000 0.282 342 G HA3 0.465 4.425 3.960 -0.000 0.000 0.282 342 G C -0.774 174.118 174.900 -0.013 0.000 1.397 342 G CA -0.670 44.420 45.100 -0.015 0.000 1.291 342 G HN 0.105 nan 8.290 nan 0.000 0.596 343 K N 0.881 121.270 120.400 -0.018 0.000 2.245 343 K HA 0.636 4.956 4.320 -0.000 0.000 0.234 343 K C 0.091 176.690 176.600 -0.003 0.000 1.021 343 K CA -0.948 55.332 56.287 -0.011 0.000 0.898 343 K CB 2.168 34.659 32.500 -0.015 0.000 1.163 343 K HN 0.384 nan 8.250 nan 0.000 0.459 344 R N 0.603 121.109 120.500 0.009 0.000 2.532 344 R HA 0.452 4.792 4.340 -0.000 0.000 0.272 344 R C -0.899 175.420 176.300 0.032 0.000 1.032 344 R CA -0.601 55.515 56.100 0.026 0.000 1.089 344 R CB 1.290 31.606 30.300 0.026 0.000 1.098 344 R HN 0.499 nan 8.270 nan 0.000 0.526 345 V N -0.588 119.361 119.914 0.060 0.000 3.159 345 V HA 0.515 4.635 4.120 -0.000 0.000 0.308 345 V C -1.203 174.968 176.094 0.127 0.000 1.190 345 V CA -1.053 61.293 62.300 0.076 0.000 1.037 345 V CB 2.261 34.109 31.823 0.041 0.000 1.060 345 V HN 0.684 nan 8.190 nan 0.000 0.437 346 D N 1.243 121.749 120.400 0.177 0.000 2.387 346 D HA 0.503 5.143 4.640 -0.000 0.000 0.251 346 D C -0.100 176.434 176.300 0.390 0.000 1.141 346 D CA 0.213 54.356 54.000 0.239 0.000 0.987 346 D CB 0.395 41.427 40.800 0.387 0.000 1.116 346 D HN 0.750 nan 8.370 nan 0.000 0.491 347 F N -0.459 119.537 119.950 0.076 0.000 2.891 347 F HA -0.242 4.285 4.527 -0.000 0.000 0.272 347 F C 0.200 176.092 175.800 0.153 0.000 1.004 347 F CA 0.209 58.268 58.000 0.097 0.000 0.938 347 F CB -2.068 36.981 39.000 0.083 0.000 0.939 347 F HN 0.173 nan 8.300 nan 0.000 0.833 348 S N -1.120 114.702 115.700 0.203 0.000 2.556 348 S HA 1.010 5.480 4.470 -0.000 0.000 0.271 348 S C -0.553 174.105 174.600 0.096 0.000 1.135 348 S CA -0.403 57.919 58.200 0.203 0.000 0.858 348 S CB 2.550 65.966 63.200 0.361 0.000 1.114 348 S HN 1.349 nan 8.310 nan 0.000 0.468 349 A N 1.175 124.042 122.820 0.078 0.000 2.587 349 A HA 0.935 5.255 4.320 -0.000 0.000 0.293 349 A C -0.942 176.766 177.584 0.206 0.000 1.087 349 A CA -0.904 51.212 52.037 0.132 0.000 0.692 349 A CB 1.844 20.957 19.000 0.188 0.000 1.291 349 A HN 1.024 nan 8.150 nan 0.000 0.407 350 R N 0.000 120.585 120.500 0.141 0.000 2.626 350 R HA 0.730 5.070 4.340 -0.000 0.000 0.274 350 R C -1.124 175.109 176.300 -0.113 0.000 1.031 350 R CA 0.481 56.657 56.100 0.127 0.000 0.898 350 R CB 2.139 32.477 30.300 0.063 0.000 1.222 350 R HN 1.432 nan 8.270 nan 0.000 0.455 351 T N -0.801 113.615 114.554 -0.229 0.000 2.718 351 T HA 0.310 4.660 4.350 -0.000 0.000 0.306 351 T C -0.701 173.889 174.700 -0.184 0.000 1.485 351 T CA -0.527 61.364 62.100 -0.347 0.000 0.997 351 T CB 0.857 69.300 68.868 -0.708 0.000 1.504 351 T HN 0.420 nan 8.240 nan 0.000 0.497 352 V N 1.586 121.418 119.914 -0.136 0.000 2.555 352 V HA 0.618 4.738 4.120 -0.000 0.000 0.286 352 V C 0.741 176.830 176.094 -0.007 0.000 1.044 352 V CA -0.730 61.550 62.300 -0.033 0.000 1.026 352 V CB -0.351 31.456 31.823 -0.026 0.000 0.981 352 V HN 1.009 nan 8.190 nan 0.000 0.480 353 I N 2.845 123.475 120.570 0.099 0.000 2.428 353 I HA 0.830 5.000 4.170 -0.000 0.000 0.296 353 I C 0.153 176.221 176.117 -0.083 0.000 0.985 353 I CA -0.177 61.199 61.300 0.126 0.000 1.260 353 I CB 1.849 40.028 38.000 0.298 0.000 1.389 353 I HN 0.828 nan 8.210 nan 0.000 0.484 354 S N 3.612 119.132 115.700 -0.299 0.000 2.736 354 S HA 0.608 5.078 4.470 -0.000 0.000 0.285 354 S C 0.011 174.118 174.600 -0.821 0.000 1.163 354 S CA -0.618 57.157 58.200 -0.707 0.000 1.025 354 S CB 0.949 63.933 63.200 -0.361 0.000 1.030 354 S HN 1.178 nan 8.310 nan 0.000 0.486 355 G N 1.637 109.439 108.800 -1.664 0.000 2.391 355 G HA2 0.346 4.306 3.960 -0.000 0.000 0.234 355 G HA3 0.346 4.306 3.960 -0.000 0.000 0.234 355 G C -0.636 174.120 174.900 -0.240 0.000 1.284 355 G CA 0.084 44.802 45.100 -0.635 0.000 0.873 355 G HN 0.785 nan 8.290 nan 0.000 0.549 356 D N 1.940 122.290 120.400 -0.083 0.000 2.787 356 D HA 0.322 4.962 4.640 -0.000 0.000 0.246 356 D C -2.035 174.282 176.300 0.028 0.000 1.150 356 D CA -1.792 52.185 54.000 -0.038 0.000 0.864 356 D CB 2.981 43.744 40.800 -0.062 0.000 1.481 356 D HN 0.170 nan 8.370 nan 0.000 0.509 357 P HA 0.205 nan 4.420 nan 0.000 0.261 357 P C -0.060 177.308 177.300 0.113 0.000 1.352 357 P CA -0.080 63.080 63.100 0.100 0.000 0.891 357 P CB 0.524 32.295 31.700 0.120 0.000 1.383 358 N N -0.235 118.507 118.700 0.070 0.000 2.234 358 N HA 0.220 4.960 4.740 -0.000 0.000 0.227 358 N C 0.299 175.810 175.510 0.003 0.000 1.151 358 N CA 0.009 53.090 53.050 0.051 0.000 0.865 358 N CB 0.882 39.386 38.487 0.030 0.000 1.066 358 N HN 0.250 nan 8.380 nan 0.000 0.515 359 L N 0.352 121.580 121.223 0.010 0.000 2.331 359 L HA 0.366 4.706 4.340 -0.000 0.000 0.268 359 L C 0.488 177.363 176.870 0.009 0.000 1.015 359 L CA -0.819 54.015 54.840 -0.010 0.000 0.807 359 L CB 1.312 43.354 42.059 -0.027 0.000 1.293 359 L HN -0.139 nan 8.230 nan 0.000 0.451 360 E N 0.667 120.867 120.200 0.001 0.000 2.319 360 E HA 0.065 4.415 4.350 -0.000 0.000 0.268 360 E C 0.619 177.226 176.600 0.011 0.000 1.050 360 E CA -0.406 56.004 56.400 0.017 0.000 0.878 360 E CB 1.332 31.039 29.700 0.012 0.000 1.066 360 E HN 0.398 nan 8.360 nan 0.000 0.406 361 L N 2.810 124.030 121.223 -0.005 0.000 2.010 361 L HA -0.265 4.075 4.340 -0.000 0.000 0.219 361 L C 1.266 178.140 176.870 0.007 0.000 1.077 361 L CA 2.533 57.323 54.840 -0.083 0.000 0.773 361 L CB -0.539 41.378 42.059 -0.236 0.000 0.892 361 L HN 0.569 nan 8.230 nan 0.000 0.436 362 D N -1.474 118.944 120.400 0.030 0.000 2.323 362 D HA -0.027 4.613 4.640 -0.000 0.000 0.239 362 D C 0.623 177.036 176.300 0.189 0.000 1.129 362 D CA 0.064 54.130 54.000 0.110 0.000 0.865 362 D CB -0.272 40.532 40.800 0.006 0.000 0.913 362 D HN 0.575 nan 8.370 nan 0.000 0.517 363 Q N -0.642 119.219 119.800 0.101 0.000 2.207 363 Q HA 0.619 4.959 4.340 -0.000 0.000 0.237 363 Q C -1.128 174.789 176.000 -0.137 0.000 0.998 363 Q CA -1.134 54.674 55.803 0.008 0.000 0.951 363 Q CB 2.773 31.490 28.738 -0.035 0.000 1.213 363 Q HN 0.024 nan 8.270 nan 0.000 0.499 364 V N 0.090 119.859 119.914 -0.242 0.000 2.697 364 V HA 0.440 4.559 4.120 -0.000 0.000 0.296 364 V C -0.905 175.002 176.094 -0.311 0.000 1.140 364 V CA -0.406 61.612 62.300 -0.469 0.000 0.921 364 V CB 1.587 32.849 31.823 -0.935 0.000 1.036 364 V HN 0.818 nan 8.190 nan 0.000 0.438 365 G N 6.014 114.687 108.800 -0.212 0.000 2.367 365 G HA2 0.451 4.411 3.960 -0.000 0.000 0.282 365 G HA3 0.451 4.411 3.960 -0.000 0.000 0.282 365 G C -0.368 174.521 174.900 -0.018 0.000 1.140 365 G CA -0.003 45.038 45.100 -0.099 0.000 1.088 365 G HN 0.877 nan 8.290 nan 0.000 0.431 366 V N 6.212 126.116 119.914 -0.018 0.000 2.427 366 V HA 0.337 4.457 4.120 -0.000 0.000 0.286 366 V C -1.653 174.462 176.094 0.034 0.000 1.034 366 V CA -1.829 60.526 62.300 0.092 0.000 0.893 366 V CB 1.958 33.802 31.823 0.036 0.000 0.982 366 V HN 0.637 nan 8.190 nan 0.000 0.452 367 P HA 0.096 nan 4.420 nan 0.000 0.271 367 P C 0.436 177.687 177.300 -0.083 0.000 1.216 367 P CA -0.223 62.851 63.100 -0.043 0.000 0.771 367 P CB 1.122 32.774 31.700 -0.080 0.000 0.864 368 K N 2.749 123.061 120.400 -0.146 0.000 2.127 368 K HA -0.222 4.098 4.320 -0.000 0.000 0.208 368 K C 2.064 178.581 176.600 -0.138 0.000 1.047 368 K CA 2.090 58.243 56.287 -0.224 0.000 0.927 368 K CB -0.416 31.939 32.500 -0.241 0.000 0.716 368 K HN 0.395 nan 8.250 nan 0.000 0.450 369 S N 0.690 116.327 115.700 -0.104 0.000 2.369 369 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 369 S C 1.881 176.457 174.600 -0.039 0.000 1.043 369 S CA 1.906 60.062 58.200 -0.074 0.000 1.074 369 S CB -0.335 62.817 63.200 -0.079 0.000 0.962 369 S HN 0.416 nan 8.310 nan 0.000 0.433 370 I N 1.587 122.142 120.570 -0.025 0.000 2.439 370 I HA -0.052 4.118 4.170 -0.000 0.000 0.251 370 I C 2.787 178.941 176.117 0.063 0.000 1.139 370 I CA 0.814 62.128 61.300 0.025 0.000 1.438 370 I CB -0.524 37.516 38.000 0.066 0.000 1.085 370 I HN 0.419 nan 8.210 nan 0.000 0.427 371 A N 0.934 123.777 122.820 0.038 0.000 1.978 371 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 371 A C 2.239 179.950 177.584 0.213 0.000 1.170 371 A CA 1.589 53.686 52.037 0.100 0.000 0.636 371 A CB -0.360 18.618 19.000 -0.036 0.000 0.810 371 A HN 0.350 nan 8.150 nan 0.000 0.448 372 K N -1.285 119.182 120.400 0.112 0.000 2.426 372 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 372 K C 1.480 178.254 176.600 0.290 0.000 1.028 372 K CA 0.984 57.369 56.287 0.164 0.000 1.047 372 K CB 0.095 32.551 32.500 -0.074 0.000 0.821 372 K HN 0.424 nan 8.250 nan 0.000 0.513 373 T N 1.130 115.762 114.554 0.130 0.000 2.953 373 T HA 0.128 4.477 4.350 -0.000 0.000 0.247 373 T C 0.637 175.319 174.700 -0.029 0.000 1.029 373 T CA 0.263 62.379 62.100 0.027 0.000 1.144 373 T CB 0.169 69.029 68.868 -0.012 0.000 0.870 373 T HN 0.006 nan 8.240 nan 0.000 0.446 374 L N 2.971 124.209 121.223 0.024 0.000 2.410 374 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 374 L C 0.970 177.906 176.870 0.110 0.000 1.152 374 L CA -0.426 54.424 54.840 0.016 0.000 0.855 374 L CB 0.685 42.809 42.059 0.109 0.000 1.129 374 L HN 0.318 nan 8.230 nan 0.000 0.463 375 T N 0.291 114.939 114.554 0.156 0.000 2.870 375 T HA 0.525 4.875 4.350 -0.000 0.000 0.277 375 T C -1.089 173.881 174.700 0.450 0.000 1.000 375 T CA -0.620 61.630 62.100 0.249 0.000 0.982 375 T CB 1.733 70.697 68.868 0.161 0.000 1.249 375 T HN 0.416 nan 8.240 nan 0.000 0.589 376 Y N 1.447 121.850 120.300 0.172 0.000 2.323 376 Y HA 0.454 5.004 4.550 -0.000 0.000 0.322 376 Y C -2.839 173.089 175.900 0.046 0.000 1.133 376 Y CA -2.311 55.844 58.100 0.091 0.000 1.093 376 Y CB 2.106 40.605 38.460 0.066 0.000 1.203 376 Y HN 0.539 nan 8.280 nan 0.000 0.427 377 P HA 0.050 nan 4.420 nan 0.000 0.270 377 P C -0.909 176.211 177.300 -0.300 0.000 1.242 377 P CA 0.437 63.349 63.100 -0.314 0.000 0.768 377 P CB 1.175 32.670 31.700 -0.341 0.000 0.820 378 E N 2.999 123.222 120.200 0.038 0.000 2.210 378 E HA 0.338 4.688 4.350 -0.000 0.000 0.266 378 E C -0.454 176.201 176.600 0.091 0.000 0.883 378 E CA -1.087 55.416 56.400 0.171 0.000 0.761 378 E CB 1.738 31.595 29.700 0.262 0.000 1.156 378 E HN 0.203 nan 8.360 nan 0.000 0.412 379 V N 1.729 121.687 119.914 0.073 0.000 2.775 379 V HA 0.246 4.366 4.120 -0.000 0.000 0.299 379 V C 0.343 176.465 176.094 0.047 0.000 1.062 379 V CA -0.887 61.447 62.300 0.057 0.000 1.063 379 V CB 1.064 32.906 31.823 0.031 0.000 0.994 379 V HN 0.408 nan 8.190 nan 0.000 0.483 380 V N 3.900 123.850 119.914 0.061 0.000 2.470 380 V HA 0.364 4.484 4.120 -0.000 0.000 0.276 380 V C 0.564 176.637 176.094 -0.035 0.000 1.040 380 V CA 0.472 62.771 62.300 -0.002 0.000 1.008 380 V CB 0.368 32.180 31.823 -0.017 0.000 0.990 380 V HN 1.117 nan 8.190 nan 0.000 0.477 381 T N 7.614 122.120 114.554 -0.080 0.000 2.916 381 T HA 0.361 4.711 4.350 -0.000 0.000 0.298 381 T C -2.164 172.531 174.700 -0.009 0.000 1.031 381 T CA -1.000 61.041 62.100 -0.098 0.000 0.993 381 T CB 2.359 71.037 68.868 -0.317 0.000 1.045 381 T HN 0.461 nan 8.240 nan 0.000 0.454 382 P HA -0.070 nan 4.420 nan 0.000 0.261 382 P C 0.107 177.675 177.300 0.446 0.000 1.288 382 P CA 0.994 64.304 63.100 0.349 0.000 0.751 382 P CB -0.183 31.850 31.700 0.555 0.000 1.103 383 Y N 0.811 121.139 120.300 0.046 0.000 2.382 383 Y HA 0.007 4.557 4.550 -0.000 0.000 0.292 383 Y C 2.139 178.040 175.900 0.001 0.000 1.151 383 Y CA 0.347 58.462 58.100 0.025 0.000 1.198 383 Y CB -0.285 38.192 38.460 0.028 0.000 1.195 383 Y HN 0.139 nan 8.280 nan 0.000 0.530 384 N N -0.359 118.441 118.700 0.166 0.000 2.254 384 N HA -0.028 4.712 4.740 -0.000 0.000 0.190 384 N C 1.285 176.794 175.510 -0.001 0.000 1.107 384 N CA 0.091 53.182 53.050 0.068 0.000 0.869 384 N CB -0.321 38.202 38.487 0.060 0.000 0.983 384 N HN 0.126 nan 8.380 nan 0.000 0.487 385 I N 1.882 122.421 120.570 -0.052 0.000 2.227 385 I HA -0.344 3.826 4.170 -0.000 0.000 0.250 385 I C 0.993 177.047 176.117 -0.105 0.000 1.087 385 I CA 1.652 62.854 61.300 -0.162 0.000 1.352 385 I CB -0.523 37.281 38.000 -0.327 0.000 1.043 385 I HN 0.295 nan 8.210 nan 0.000 0.425 386 D N -0.398 119.969 120.400 -0.054 0.000 2.083 386 D HA -0.200 4.440 4.640 -0.000 0.000 0.199 386 D C 2.106 178.391 176.300 -0.024 0.000 0.980 386 D CA 1.136 55.114 54.000 -0.036 0.000 0.851 386 D CB -0.460 40.331 40.800 -0.015 0.000 0.997 386 D HN 0.290 nan 8.370 nan 0.000 0.449 387 R N 0.917 121.412 120.500 -0.008 0.000 2.159 387 R HA -0.205 4.135 4.340 -0.000 0.000 0.249 387 R C 2.625 178.923 176.300 -0.004 0.000 1.136 387 R CA 1.336 57.434 56.100 -0.003 0.000 0.951 387 R CB -0.750 29.554 30.300 0.006 0.000 0.876 387 R HN 0.167 nan 8.270 nan 0.000 0.440 388 L N 0.092 121.313 121.223 -0.004 0.000 2.013 388 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 388 L C 2.461 179.330 176.870 -0.002 0.000 1.073 388 L CA 2.227 57.068 54.840 0.002 0.000 0.753 388 L CB -0.494 41.564 42.059 -0.002 0.000 0.890 388 L HN 0.414 nan 8.230 nan 0.000 0.432 389 T N -1.716 112.824 114.554 -0.023 0.000 2.833 389 T HA -0.256 4.093 4.350 -0.000 0.000 0.269 389 T C 1.639 176.335 174.700 -0.006 0.000 1.054 389 T CA 1.259 63.348 62.100 -0.019 0.000 1.135 389 T CB -0.144 68.699 68.868 -0.043 0.000 0.869 389 T HN 0.230 nan 8.240 nan 0.000 0.466 390 Q N 1.224 121.019 119.800 -0.009 0.000 1.975 390 Q HA -0.042 4.298 4.340 -0.000 0.000 0.205 390 Q C 2.134 178.135 176.000 0.002 0.000 0.990 390 Q CA 1.595 57.395 55.803 -0.005 0.000 0.845 390 Q CB -0.858 27.875 28.738 -0.008 0.000 0.913 390 Q HN 0.504 nan 8.270 nan 0.000 0.420 391 L N -0.717 120.509 121.223 0.005 0.000 1.978 391 L HA -0.288 4.052 4.340 -0.000 0.000 0.218 391 L C 2.326 179.212 176.870 0.026 0.000 1.075 391 L CA 1.617 56.466 54.840 0.015 0.000 0.767 391 L CB -0.991 41.078 42.059 0.018 0.000 0.890 391 L HN 0.149 nan 8.230 nan 0.000 0.434 392 V N -0.065 119.866 119.914 0.028 0.000 2.227 392 V HA -0.390 3.730 4.120 -0.000 0.000 0.249 392 V C 2.433 178.547 176.094 0.035 0.000 1.046 392 V CA 2.237 64.561 62.300 0.039 0.000 1.015 392 V CB -0.778 31.074 31.823 0.049 0.000 0.648 392 V HN 0.456 nan 8.190 nan 0.000 0.460 393 R N 0.526 121.043 120.500 0.027 0.000 2.316 393 R HA -0.152 4.187 4.340 -0.000 0.000 0.232 393 R C 1.945 178.255 176.300 0.016 0.000 1.137 393 R CA 1.023 57.136 56.100 0.021 0.000 1.012 393 R CB -0.732 29.576 30.300 0.013 0.000 0.859 393 R HN 0.573 nan 8.270 nan 0.000 0.474 394 N N 0.841 119.551 118.700 0.016 0.000 2.494 394 N HA -0.055 4.684 4.740 -0.000 0.000 0.182 394 N C 0.348 175.869 175.510 0.019 0.000 1.076 394 N CA 1.052 54.109 53.050 0.011 0.000 0.908 394 N CB 0.448 38.939 38.487 0.006 0.000 0.967 394 N HN 0.288 nan 8.380 nan 0.000 0.449 395 G N 0.989 109.807 108.800 0.031 0.000 2.705 395 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 395 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 395 G C -2.563 172.388 174.900 0.084 0.000 1.285 395 G CA -0.390 44.732 45.100 0.037 0.000 0.800 395 G HN 0.134 nan 8.290 nan 0.000 0.611 396 P HA 0.181 nan 4.420 nan 0.000 0.249 396 P C 0.386 177.781 177.300 0.158 0.000 1.583 396 P CA 0.081 63.292 63.100 0.185 0.000 0.988 396 P CB 0.140 31.864 31.700 0.041 0.000 1.530 397 N N -0.716 118.023 118.700 0.065 0.000 2.380 397 N HA 0.057 4.797 4.740 -0.000 0.000 0.227 397 N C 0.385 175.873 175.510 -0.038 0.000 1.139 397 N CA 0.146 53.196 53.050 -0.001 0.000 0.843 397 N CB 0.210 38.685 38.487 -0.020 0.000 1.327 397 N HN 0.173 nan 8.380 nan 0.000 0.470 398 E N 0.430 120.612 120.200 -0.031 0.000 2.366 398 E HA 0.008 4.358 4.350 -0.000 0.000 0.266 398 E C 0.331 176.875 176.600 -0.094 0.000 1.051 398 E CA -0.171 56.205 56.400 -0.041 0.000 0.884 398 E CB 1.245 30.928 29.700 -0.027 0.000 1.006 398 E HN 0.265 nan 8.360 nan 0.000 0.417 399 H N 3.994 122.968 119.070 -0.160 0.000 2.472 399 H HA -0.080 4.476 4.556 -0.000 0.000 0.295 399 H C -1.548 173.640 175.328 -0.233 0.000 1.051 399 H CA 1.175 57.075 56.048 -0.246 0.000 1.138 399 H CB -1.241 28.424 29.762 -0.162 0.000 1.404 399 H HN 0.324 nan 8.280 nan 0.000 0.603 400 P HA 0.142 nan 4.420 nan 0.000 0.257 400 P C -0.366 176.829 177.300 -0.176 0.000 1.269 400 P CA 1.232 64.002 63.100 -0.551 0.000 1.122 400 P CB 0.230 31.773 31.700 -0.262 0.000 1.285 401 G N 1.513 110.349 108.800 0.061 0.000 2.827 401 G HA2 0.798 4.758 3.960 -0.000 0.000 0.202 401 G HA3 0.798 4.758 3.960 -0.000 0.000 0.202 401 G C -1.713 173.326 174.900 0.232 0.000 1.185 401 G CA -0.039 45.187 45.100 0.210 0.000 0.920 401 G HN 0.502 nan 8.290 nan 0.000 0.550 402 A N -1.182 121.646 122.820 0.012 0.000 2.583 402 A HA 0.644 4.963 4.320 -0.000 0.000 0.292 402 A C -0.016 177.450 177.584 -0.198 0.000 1.045 402 A CA 0.530 52.392 52.037 -0.292 0.000 0.672 402 A CB 0.950 19.895 19.000 -0.091 0.000 1.283 402 A HN 1.208 nan 8.150 nan 0.000 0.419 403 K N -0.344 119.904 120.400 -0.253 0.000 2.370 403 K HA 0.349 4.669 4.320 -0.000 0.000 0.194 403 K C -0.402 176.251 176.600 0.087 0.000 1.070 403 K CA 0.236 56.431 56.287 -0.153 0.000 0.998 403 K CB 0.575 32.869 32.500 -0.343 0.000 0.911 403 K HN 0.602 nan 8.250 nan 0.000 0.533 404 Y N 0.702 120.987 120.300 -0.024 0.000 2.512 404 Y HA 0.514 5.064 4.550 -0.000 0.000 0.348 404 Y C -0.960 174.942 175.900 0.004 0.000 0.990 404 Y CA -1.626 56.473 58.100 -0.001 0.000 1.033 404 Y CB 2.820 41.282 38.460 0.003 0.000 1.259 404 Y HN -0.342 nan 8.280 nan 0.000 0.461 405 V N 4.796 124.791 119.914 0.136 0.000 2.588 405 V HA 0.454 4.574 4.120 -0.000 0.000 0.304 405 V C -0.619 175.434 176.094 -0.068 0.000 1.042 405 V CA -0.678 61.668 62.300 0.075 0.000 0.877 405 V CB 2.088 33.985 31.823 0.123 0.000 0.996 405 V HN 0.508 nan 8.190 nan 0.000 0.425 406 I N 5.072 125.570 120.570 -0.121 0.000 2.411 406 I HA 0.533 4.703 4.170 -0.000 0.000 0.284 406 I C 0.190 175.950 176.117 -0.595 0.000 1.012 406 I CA -0.714 60.411 61.300 -0.291 0.000 1.119 406 I CB 1.646 39.535 38.000 -0.185 0.000 1.261 406 I HN 0.546 nan 8.210 nan 0.000 0.448 407 R N 2.762 122.642 120.500 -1.034 0.000 2.747 407 R HA 0.170 4.510 4.340 -0.000 0.000 0.278 407 R C 0.711 176.476 176.300 -0.891 0.000 1.153 407 R CA -0.371 54.570 56.100 -1.932 0.000 1.206 407 R CB 0.268 29.594 30.300 -1.622 0.000 1.161 407 R HN 0.580 nan 8.270 nan 0.000 0.589 408 D N 0.049 120.097 120.400 -0.587 0.000 2.092 408 D HA -0.166 4.474 4.640 -0.000 0.000 0.193 408 D C 0.212 176.409 176.300 -0.172 0.000 0.994 408 D CA 1.470 55.367 54.000 -0.171 0.000 0.828 408 D CB -0.524 40.296 40.800 0.034 0.000 0.963 408 D HN 0.468 nan 8.370 nan 0.000 0.450 409 S N 0.735 116.336 115.700 -0.166 0.000 3.442 409 S HA 0.186 4.656 4.470 -0.000 0.000 0.237 409 S C 1.236 175.745 174.600 -0.152 0.000 0.992 409 S CA -0.159 57.967 58.200 -0.124 0.000 1.381 409 S CB -1.155 61.988 63.200 -0.096 0.000 1.566 409 S HN 0.458 nan 8.310 nan 0.000 0.559 410 G N 1.839 110.562 108.800 -0.129 0.000 2.362 410 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.305 410 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.305 410 G C -0.211 174.611 174.900 -0.129 0.000 0.439 410 G CA 0.441 45.468 45.100 -0.121 0.000 1.089 410 G HN 0.842 nan 8.290 nan 0.000 0.404 411 D N -0.233 120.061 120.400 -0.176 0.000 2.891 411 D HA 0.296 4.935 4.640 -0.000 0.000 0.224 411 D C 0.250 176.416 176.300 -0.224 0.000 1.321 411 D CA -0.796 53.100 54.000 -0.173 0.000 0.929 411 D CB 0.924 41.634 40.800 -0.150 0.000 1.551 411 D HN 0.523 nan 8.370 nan 0.000 0.574 412 R N 3.316 123.676 120.500 -0.234 0.000 2.308 412 R HA 0.566 4.906 4.340 -0.000 0.000 0.305 412 R C -0.180 175.942 176.300 -0.296 0.000 1.053 412 R CA -0.635 55.281 56.100 -0.308 0.000 0.957 412 R CB 0.984 31.022 30.300 -0.437 0.000 1.022 412 R HN 0.349 nan 8.270 nan 0.000 0.461 413 I N 2.919 123.342 120.570 -0.245 0.000 2.301 413 I HA 0.025 4.195 4.170 -0.000 0.000 0.292 413 I C 0.051 176.114 176.117 -0.090 0.000 1.046 413 I CA -0.345 60.876 61.300 -0.132 0.000 1.282 413 I CB 1.101 39.067 38.000 -0.058 0.000 1.409 413 I HN 0.625 nan 8.210 nan 0.000 0.484 414 D N 7.474 127.856 120.400 -0.031 0.000 2.402 414 D HA 0.104 4.744 4.640 -0.000 0.000 0.235 414 D C 1.156 177.615 176.300 0.265 0.000 1.226 414 D CA -0.016 54.101 54.000 0.195 0.000 0.918 414 D CB 0.995 41.963 40.800 0.280 0.000 1.043 414 D HN 0.517 nan 8.370 nan 0.000 0.506 415 L N 3.718 125.101 121.223 0.265 0.000 2.129 415 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 415 L C 2.329 179.249 176.870 0.084 0.000 1.087 415 L CA 1.115 56.045 54.840 0.151 0.000 0.757 415 L CB -0.164 41.968 42.059 0.121 0.000 0.896 415 L HN 0.427 nan 8.230 nan 0.000 0.434 416 R N -1.831 118.710 120.500 0.069 0.000 2.328 416 R HA -0.068 4.272 4.340 -0.000 0.000 0.206 416 R C 0.425 176.428 176.300 -0.495 0.000 0.990 416 R CA 0.697 56.675 56.100 -0.203 0.000 1.085 416 R CB -0.036 30.087 30.300 -0.295 0.000 0.998 416 R HN 0.357 nan 8.270 nan 0.000 0.484 417 Y N -0.489 119.845 120.300 0.057 0.000 3.189 417 Y HA 0.124 4.674 4.550 -0.000 0.000 0.213 417 Y C 0.710 176.628 175.900 0.031 0.000 1.032 417 Y CA -0.336 57.788 58.100 0.039 0.000 1.482 417 Y CB -0.088 38.395 38.460 0.038 0.000 1.460 417 Y HN -0.011 nan 8.280 nan 0.000 0.398 418 S N 2.899 118.730 115.700 0.220 0.000 3.746 418 S HA -0.146 4.324 4.470 -0.000 0.000 0.446 418 S C 0.627 175.279 174.600 0.086 0.000 1.133 418 S CA -0.017 58.254 58.200 0.118 0.000 1.060 418 S CB -0.206 63.047 63.200 0.089 0.000 0.729 418 S HN 0.375 nan 8.310 nan 0.000 0.510 419 K N 4.264 124.707 120.400 0.072 0.000 3.120 419 K HA 0.069 4.389 4.320 -0.000 0.000 0.275 419 K C 0.774 177.401 176.600 0.044 0.000 0.914 419 K CA 0.695 57.014 56.287 0.054 0.000 1.125 419 K CB -0.219 32.309 32.500 0.046 0.000 1.053 419 K HN 0.584 nan 8.250 nan 0.000 0.450 420 R N -0.841 119.689 120.500 0.049 0.000 2.494 420 R HA 0.259 4.599 4.340 -0.000 0.000 0.400 420 R C 0.884 177.216 176.300 0.053 0.000 0.856 420 R CA 0.436 56.564 56.100 0.047 0.000 1.112 420 R CB 0.120 30.450 30.300 0.050 0.000 1.697 420 R HN 0.284 nan 8.270 nan 0.000 0.544 421 A N -0.011 122.840 122.820 0.052 0.000 1.908 421 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 421 A C 1.888 179.497 177.584 0.042 0.000 1.181 421 A CA 1.849 53.917 52.037 0.052 0.000 0.627 421 A CB -0.625 18.402 19.000 0.045 0.000 0.818 421 A HN 0.429 nan 8.150 nan 0.000 0.445 422 G N -1.319 107.501 108.800 0.032 0.000 2.744 422 G HA2 0.007 3.967 3.960 -0.000 0.000 0.211 422 G HA3 0.007 3.967 3.960 -0.000 0.000 0.211 422 G C 0.897 175.812 174.900 0.026 0.000 1.143 422 G CA 0.813 45.928 45.100 0.024 0.000 0.788 422 G HN 0.499 nan 8.290 nan 0.000 0.534 423 D N 0.199 120.620 120.400 0.034 0.000 2.562 423 D HA 0.229 4.869 4.640 -0.000 0.000 0.271 423 D C 0.781 177.108 176.300 0.044 0.000 1.198 423 D CA -0.282 53.739 54.000 0.035 0.000 1.071 423 D CB 0.325 41.150 40.800 0.041 0.000 1.011 423 D HN 0.063 nan 8.370 nan 0.000 0.327 424 I N 0.719 121.328 120.570 0.064 0.000 8.479 424 I HA -0.223 3.947 4.170 -0.000 0.000 0.126 424 I C -1.033 175.106 176.117 0.037 0.000 1.851 424 I CA -0.012 61.343 61.300 0.093 0.000 2.049 424 I CB -0.519 37.549 38.000 0.114 0.000 3.827 424 I HN 0.313 nan 8.210 nan 0.000 0.173 425 Q N 7.220 127.017 119.800 -0.005 0.000 2.413 425 Q HA 0.584 4.924 4.340 -0.000 0.000 0.258 425 Q C -0.159 175.683 176.000 -0.263 0.000 1.037 425 Q CA -0.745 54.993 55.803 -0.108 0.000 0.764 425 Q CB 1.646 30.318 28.738 -0.110 0.000 1.217 425 Q HN 0.562 nan 8.270 nan 0.000 0.490 426 L N 1.752 122.834 121.223 -0.235 0.000 2.503 426 L HA -0.014 4.326 4.340 -0.000 0.000 0.287 426 L C 0.604 177.049 176.870 -0.708 0.000 1.252 426 L CA 0.548 55.170 54.840 -0.363 0.000 0.835 426 L CB 0.221 42.171 42.059 -0.182 0.000 1.099 426 L HN 0.390 nan 8.230 nan 0.000 0.516 427 Q N 1.919 121.068 119.800 -1.086 0.000 2.320 427 Q HA 0.266 4.606 4.340 -0.000 0.000 0.268 427 Q C -1.252 174.490 176.000 -0.430 0.000 1.023 427 Q CA -0.788 54.403 55.803 -1.021 0.000 0.744 427 Q CB 1.580 29.100 28.738 -2.029 0.000 1.246 427 Q HN 0.272 nan 8.270 nan 0.000 0.462 428 Y N 0.696 120.832 120.300 -0.273 0.000 2.852 428 Y HA 0.155 4.705 4.550 -0.000 0.000 0.343 428 Y C 1.627 177.489 175.900 -0.063 0.000 1.280 428 Y CA 1.372 59.395 58.100 -0.129 0.000 1.604 428 Y CB -0.297 38.099 38.460 -0.106 0.000 1.216 428 Y HN 0.923 nan 8.280 nan 0.000 0.541 429 G N 0.357 109.260 108.800 0.170 0.000 2.192 429 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.193 429 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.193 429 G C -0.248 174.869 174.900 0.361 0.000 0.999 429 G CA -0.760 44.461 45.100 0.203 0.000 0.659 429 G HN 0.480 nan 8.290 nan 0.000 0.503 430 W N 0.679 121.985 121.300 0.011 0.000 2.568 430 W HA 0.829 5.489 4.660 -0.000 0.000 0.396 430 W C 0.583 177.095 176.519 -0.012 0.000 1.554 430 W CA -0.959 56.383 57.345 -0.004 0.000 1.605 430 W CB 0.672 30.128 29.460 -0.006 0.000 1.543 430 W HN -0.054 nan 8.180 nan 0.000 0.692 431 K N 0.326 120.841 120.400 0.192 0.000 2.426 431 K HA 0.588 4.908 4.320 -0.000 0.000 0.251 431 K C -1.449 175.216 176.600 0.107 0.000 0.941 431 K CA -0.904 55.441 56.287 0.098 0.000 0.808 431 K CB 2.522 35.031 32.500 0.015 0.000 1.265 431 K HN 0.067 nan 8.250 nan 0.000 0.432 432 V N 2.262 122.234 119.914 0.097 0.000 2.384 432 V HA 0.093 4.212 4.120 -0.000 0.000 0.257 432 V C -0.449 175.699 176.094 0.089 0.000 0.969 432 V CA -0.827 61.534 62.300 0.102 0.000 0.910 432 V CB 0.557 32.440 31.823 0.100 0.000 1.150 432 V HN 0.738 nan 8.190 nan 0.000 0.481 433 E N 4.333 124.589 120.200 0.092 0.000 3.072 433 E HA -0.077 4.273 4.350 -0.000 0.000 0.241 433 E C 0.501 177.119 176.600 0.032 0.000 0.962 433 E CA 0.403 56.855 56.400 0.086 0.000 0.955 433 E CB 0.486 30.265 29.700 0.132 0.000 0.899 433 E HN 0.757 nan 8.360 nan 0.000 0.547 434 R N 3.185 123.718 120.500 0.056 0.000 2.944 434 R HA 0.386 4.726 4.340 -0.000 0.000 0.233 434 R C -0.070 176.194 176.300 -0.060 0.000 1.346 434 R CA -0.850 55.233 56.100 -0.029 0.000 1.082 434 R CB 0.796 31.126 30.300 0.051 0.000 1.434 434 R HN 0.395 nan 8.270 nan 0.000 0.510 435 H N 0.460 119.556 119.070 0.042 0.000 2.562 435 H HA 0.166 4.722 4.556 -0.000 0.000 0.352 435 H C 0.309 175.689 175.328 0.087 0.000 1.125 435 H CA -0.371 55.707 56.048 0.051 0.000 1.379 435 H CB 0.856 30.601 29.762 -0.028 0.000 1.464 435 H HN 0.293 nan 8.280 nan 0.000 0.563 436 I N 3.820 124.549 120.570 0.265 0.000 2.741 436 I HA -0.112 4.058 4.170 -0.000 0.000 0.288 436 I C 0.928 177.159 176.117 0.190 0.000 1.192 436 I CA 0.919 62.333 61.300 0.189 0.000 1.426 436 I CB -0.784 37.320 38.000 0.173 0.000 1.367 436 I HN 0.388 nan 8.210 nan 0.000 0.563 437 M N 3.947 123.611 119.600 0.106 0.000 2.724 437 M HA 0.295 4.774 4.480 -0.000 0.000 0.310 437 M C -0.252 176.085 176.300 0.062 0.000 1.217 437 M CA -1.042 54.322 55.300 0.108 0.000 0.894 437 M CB 1.278 33.907 32.600 0.049 0.000 1.719 437 M HN 0.317 nan 8.290 nan 0.000 0.479 438 D N 2.351 122.794 120.400 0.071 0.000 2.536 438 D HA 0.019 4.659 4.640 -0.000 0.000 0.260 438 D C -0.627 175.673 176.300 0.000 0.000 1.270 438 D CA 1.549 55.565 54.000 0.026 0.000 0.934 438 D CB -0.318 40.496 40.800 0.024 0.000 1.129 438 D HN 0.573 nan 8.370 nan 0.000 0.533 439 N N 1.753 120.446 118.700 -0.013 0.000 3.022 439 N HA -0.136 4.604 4.740 -0.000 0.000 0.246 439 N C -1.646 173.841 175.510 -0.039 0.000 1.119 439 N CA 0.307 53.344 53.050 -0.023 0.000 0.681 439 N CB -0.474 38.000 38.487 -0.021 0.000 1.037 439 N HN 0.400 nan 8.380 nan 0.000 0.561 440 D N 0.316 120.691 120.400 -0.042 0.000 2.185 440 D HA 0.360 5.000 4.640 -0.000 0.000 0.247 440 D C -2.273 174.003 176.300 -0.041 0.000 1.027 440 D CA -1.168 52.787 54.000 -0.076 0.000 0.861 440 D CB 1.643 42.396 40.800 -0.077 0.000 1.202 440 D HN 0.034 nan 8.370 nan 0.000 0.453 441 P HA 0.172 nan 4.420 nan 0.000 0.278 441 P C -0.789 176.526 177.300 0.025 0.000 1.238 441 P CA -0.327 62.771 63.100 -0.004 0.000 0.794 441 P CB 1.258 32.955 31.700 -0.005 0.000 0.955 442 V N 1.638 121.577 119.914 0.043 0.000 3.048 442 V HA 0.316 4.436 4.120 -0.000 0.000 0.303 442 V C -0.263 175.893 176.094 0.104 0.000 1.214 442 V CA -0.999 61.343 62.300 0.069 0.000 0.984 442 V CB 2.424 34.264 31.823 0.029 0.000 1.054 442 V HN 0.454 nan 8.190 nan 0.000 0.430 443 L N 3.418 124.721 121.223 0.133 0.000 2.265 443 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 443 L C -1.367 175.618 176.870 0.192 0.000 1.058 443 L CA -0.109 54.825 54.840 0.158 0.000 0.809 443 L CB 1.064 43.228 42.059 0.175 0.000 1.179 443 L HN 0.798 nan 8.230 nan 0.000 0.429 444 F N 6.840 126.787 119.950 -0.006 0.000 2.495 444 F HA 0.494 5.021 4.527 -0.000 0.000 0.327 444 F C -0.255 175.394 175.800 -0.252 0.000 1.103 444 F CA -0.914 57.002 58.000 -0.140 0.000 0.949 444 F CB 1.367 40.358 39.000 -0.014 0.000 1.142 444 F HN 0.602 nan 8.300 nan 0.000 0.457 445 N N 4.549 122.820 118.700 -0.714 0.000 2.732 445 N HA 0.404 5.144 4.740 -0.000 0.000 0.259 445 N C -1.989 173.039 175.510 -0.804 0.000 1.402 445 N CA -0.853 51.748 53.050 -0.748 0.000 0.829 445 N CB 2.438 40.756 38.487 -0.282 0.000 1.495 445 N HN 0.825 nan 8.380 nan 0.000 0.511 446 R N 1.690 121.837 120.500 -0.588 0.000 2.607 446 R HA 0.177 4.517 4.340 -0.000 0.000 0.278 446 R C -0.699 175.511 176.300 -0.150 0.000 1.637 446 R CA -0.326 55.568 56.100 -0.344 0.000 1.325 446 R CB 0.556 30.692 30.300 -0.274 0.000 1.211 446 R HN 0.631 nan 8.270 nan 0.000 0.565 447 Q N 3.338 123.072 119.800 -0.109 0.000 2.414 447 Q HA 0.079 4.418 4.340 -0.000 0.000 0.288 447 Q C -1.934 174.044 176.000 -0.036 0.000 1.086 447 Q CA -0.930 54.842 55.803 -0.052 0.000 0.943 447 Q CB 0.070 28.790 28.738 -0.031 0.000 1.282 447 Q HN 0.386 nan 8.270 nan 0.000 0.438 448 P HA -0.007 nan 4.420 nan 0.000 0.271 448 P C -0.974 176.313 177.300 -0.021 0.000 1.226 448 P CA -0.064 63.022 63.100 -0.022 0.000 0.765 448 P CB 0.738 32.424 31.700 -0.023 0.000 0.835 449 S N 3.645 119.334 115.700 -0.018 0.000 3.530 449 S HA 0.095 4.564 4.470 -0.000 0.000 0.279 449 S C 1.223 175.819 174.600 -0.008 0.000 1.280 449 S CA -0.432 57.764 58.200 -0.007 0.000 0.946 449 S CB -0.696 62.498 63.200 -0.010 0.000 1.501 449 S HN 0.407 nan 8.310 nan 0.000 0.498 450 L N -1.094 120.121 121.223 -0.013 0.000 2.664 450 L HA 0.521 4.861 4.340 -0.000 0.000 0.233 450 L C 0.376 177.232 176.870 -0.023 0.000 1.113 450 L CA 0.298 55.109 54.840 -0.048 0.000 0.896 450 L CB -0.974 41.024 42.059 -0.101 0.000 1.163 450 L HN 0.438 nan 8.230 nan 0.000 0.497 451 H N -0.188 118.864 119.070 -0.031 0.000 2.567 451 H HA 0.337 4.892 4.556 -0.000 0.000 0.345 451 H C 0.478 175.790 175.328 -0.026 0.000 1.169 451 H CA -0.734 55.295 56.048 -0.032 0.000 1.227 451 H CB 2.216 31.974 29.762 -0.006 0.000 1.607 451 H HN -0.073 nan 8.280 nan 0.000 0.534 452 K N 1.598 122.051 120.400 0.089 0.000 2.062 452 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 452 K C 0.323 176.927 176.600 0.007 0.000 1.051 452 K CA 1.166 57.458 56.287 0.009 0.000 0.941 452 K CB 0.199 32.679 32.500 -0.033 0.000 0.719 452 K HN 0.510 nan 8.250 nan 0.000 0.440 453 M N 0.337 119.907 119.600 -0.051 0.000 3.310 453 M HA 0.103 4.583 4.480 -0.000 0.000 0.233 453 M C 0.664 177.040 176.300 0.127 0.000 1.267 453 M CA 0.258 55.539 55.300 -0.032 0.000 1.301 453 M CB 1.131 33.620 32.600 -0.185 0.000 1.186 453 M HN -0.187 nan 8.290 nan 0.000 0.515 454 S N 0.439 116.254 115.700 0.193 0.000 2.603 454 S HA 0.467 4.936 4.470 -0.000 0.000 0.232 454 S C 0.237 174.889 174.600 0.087 0.000 1.016 454 S CA -0.176 58.179 58.200 0.260 0.000 0.976 454 S CB 0.283 63.580 63.200 0.161 0.000 0.921 454 S HN 0.590 nan 8.310 nan 0.000 0.516 455 M N 2.001 121.675 119.600 0.123 0.000 2.167 455 M HA 0.372 4.852 4.480 -0.000 0.000 0.218 455 M C -1.498 174.864 176.300 0.103 0.000 0.968 455 M CA 0.078 55.397 55.300 0.032 0.000 1.004 455 M CB 1.557 34.166 32.600 0.016 0.000 2.485 455 M HN 0.093 nan 8.290 nan 0.000 0.404 456 M N 1.453 121.168 119.600 0.191 0.000 2.598 456 M HA 0.801 5.281 4.480 -0.000 0.000 0.317 456 M C 0.151 176.440 176.300 -0.019 0.000 1.201 456 M CA -0.443 54.890 55.300 0.054 0.000 0.971 456 M CB 2.184 34.775 32.600 -0.014 0.000 1.657 456 M HN 0.617 nan 8.290 nan 0.000 0.470 457 A N 1.295 124.060 122.820 -0.092 0.000 2.301 457 A HA 0.580 4.900 4.320 -0.000 0.000 0.298 457 A C -0.844 176.631 177.584 -0.183 0.000 1.185 457 A CA -0.499 51.506 52.037 -0.052 0.000 0.830 457 A CB 0.114 19.103 19.000 -0.017 0.000 1.112 457 A HN 0.829 nan 8.150 nan 0.000 0.508 458 H N 1.142 120.228 119.070 0.027 0.000 2.754 458 H HA 0.471 5.027 4.556 -0.000 0.000 0.352 458 H C -0.419 174.877 175.328 -0.053 0.000 1.213 458 H CA -0.647 55.388 56.048 -0.021 0.000 1.244 458 H CB 1.339 31.056 29.762 -0.075 0.000 1.843 458 H HN 0.683 nan 8.280 nan 0.000 0.587 459 R N 0.372 120.921 120.500 0.082 0.000 2.428 459 R HA 0.367 4.707 4.340 -0.000 0.000 0.294 459 R C -0.486 175.797 176.300 -0.027 0.000 1.000 459 R CA -0.675 55.431 56.100 0.011 0.000 0.960 459 R CB 1.405 31.705 30.300 0.000 0.000 1.076 459 R HN 0.187 nan 8.270 nan 0.000 0.475 460 V N 2.484 122.376 119.914 -0.037 0.000 2.775 460 V HA 0.188 4.308 4.120 -0.000 0.000 0.299 460 V C 0.050 176.116 176.094 -0.046 0.000 1.062 460 V CA -0.020 62.246 62.300 -0.057 0.000 1.063 460 V CB 1.302 33.109 31.823 -0.027 0.000 0.994 460 V HN 0.604 nan 8.190 nan 0.000 0.483 461 K N 3.319 123.682 120.400 -0.061 0.000 2.896 461 K HA 0.343 4.663 4.320 -0.000 0.000 0.228 461 K C -1.196 175.369 176.600 -0.060 0.000 1.151 461 K CA -0.338 55.919 56.287 -0.051 0.000 1.035 461 K CB 0.898 33.362 32.500 -0.060 0.000 1.263 461 K HN 0.384 nan 8.250 nan 0.000 0.574 462 V N 5.538 125.417 119.914 -0.058 0.000 2.557 462 V HA 0.139 4.259 4.120 -0.000 0.000 0.301 462 V C 0.973 176.999 176.094 -0.114 0.000 1.026 462 V CA 0.332 62.564 62.300 -0.113 0.000 1.137 462 V CB -0.884 30.804 31.823 -0.225 0.000 0.917 462 V HN 0.670 nan 8.190 nan 0.000 0.484 463 I N 3.315 123.828 120.570 -0.094 0.000 3.343 463 I HA 0.828 4.998 4.170 -0.000 0.000 0.315 463 I C -2.700 173.391 176.117 -0.043 0.000 1.153 463 I CA -2.665 58.604 61.300 -0.051 0.000 0.952 463 I CB 2.493 40.487 38.000 -0.010 0.000 1.287 463 I HN 0.379 nan 8.210 nan 0.000 0.472 464 P HA 0.347 nan 4.420 nan 0.000 0.297 464 P C -1.522 175.860 177.300 0.136 0.000 1.307 464 P CA -0.051 63.030 63.100 -0.030 0.000 0.773 464 P CB 0.349 31.977 31.700 -0.121 0.000 1.265 465 Y N -2.957 117.294 120.300 -0.082 0.000 2.523 465 Y HA -0.200 4.350 4.550 -0.000 0.000 0.023 465 Y C 1.252 177.092 175.900 -0.100 0.000 1.717 465 Y CA 0.619 58.669 58.100 -0.082 0.000 1.407 465 Y CB -2.346 36.069 38.460 -0.075 0.000 2.054 465 Y HN 0.237 nan 8.280 nan 0.000 0.257 466 S N 0.063 115.782 115.700 0.032 0.000 3.009 466 S HA 0.185 4.655 4.470 -0.000 0.000 0.243 466 S C 0.361 174.885 174.600 -0.127 0.000 1.012 466 S CA 0.401 58.561 58.200 -0.067 0.000 1.113 466 S CB -0.854 62.299 63.200 -0.078 0.000 0.827 466 S HN 0.691 nan 8.310 nan 0.000 0.495 467 T N -1.201 113.300 114.554 -0.089 0.000 2.908 467 T HA 0.625 4.975 4.350 -0.000 0.000 0.290 467 T C -0.447 174.210 174.700 -0.072 0.000 1.034 467 T CA -0.858 61.159 62.100 -0.139 0.000 1.010 467 T CB 0.781 69.595 68.868 -0.089 0.000 1.068 467 T HN 0.165 nan 8.240 nan 0.000 0.481 468 F N 1.955 121.876 119.950 -0.049 0.000 2.438 468 F HA 0.343 4.869 4.527 -0.000 0.000 0.360 468 F C 1.370 177.100 175.800 -0.116 0.000 1.118 468 F CA -1.008 56.935 58.000 -0.096 0.000 1.164 468 F CB 0.728 39.733 39.000 0.008 0.000 1.131 468 F HN 0.255 nan 8.300 nan 0.000 0.527 469 R N 6.482 127.002 120.500 0.034 0.000 2.247 469 R HA 0.384 4.724 4.340 -0.000 0.000 0.329 469 R C -0.639 175.599 176.300 -0.103 0.000 1.014 469 R CA -0.601 55.460 56.100 -0.065 0.000 0.907 469 R CB 0.902 31.152 30.300 -0.083 0.000 1.146 469 R HN 0.632 nan 8.270 nan 0.000 0.499 470 L N -0.625 120.559 121.223 -0.066 0.000 2.358 470 L HA 0.552 4.892 4.340 -0.000 0.000 0.268 470 L C 0.254 177.126 176.870 0.003 0.000 1.032 470 L CA -1.104 53.691 54.840 -0.075 0.000 0.805 470 L CB 1.070 43.183 42.059 0.090 0.000 1.253 470 L HN 0.322 nan 8.230 nan 0.000 0.452 471 N N 0.716 119.419 118.700 0.005 0.000 2.371 471 N HA 0.097 4.837 4.740 -0.000 0.000 0.243 471 N C 0.613 176.173 175.510 0.082 0.000 1.287 471 N CA -0.013 53.056 53.050 0.032 0.000 0.911 471 N CB 1.183 39.672 38.487 0.004 0.000 1.142 471 N HN 0.856 nan 8.380 nan 0.000 0.451 472 L N 1.281 122.560 121.223 0.093 0.000 2.023 472 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 472 L C 2.485 179.388 176.870 0.055 0.000 1.073 472 L CA 0.854 55.772 54.840 0.129 0.000 0.745 472 L CB -0.509 41.636 42.059 0.144 0.000 0.900 472 L HN 0.556 nan 8.230 nan 0.000 0.435 473 S N -0.699 115.000 115.700 -0.003 0.000 2.392 473 S HA -0.218 4.252 4.470 -0.000 0.000 0.232 473 S C 1.597 176.104 174.600 -0.155 0.000 1.041 473 S CA 1.444 59.600 58.200 -0.073 0.000 1.026 473 S CB -0.409 62.630 63.200 -0.269 0.000 0.845 473 S HN 0.304 nan 8.310 nan 0.000 0.465 474 V N 1.795 121.597 119.914 -0.186 0.000 3.611 474 V HA 0.008 4.128 4.120 -0.000 0.000 0.281 474 V C 1.822 177.776 176.094 -0.234 0.000 1.247 474 V CA 1.175 63.322 62.300 -0.256 0.000 1.198 474 V CB -0.949 30.758 31.823 -0.192 0.000 0.977 474 V HN 0.533 nan 8.190 nan 0.000 0.445 475 T N -0.321 114.187 114.554 -0.077 0.000 2.668 475 T HA -0.148 4.202 4.350 -0.000 0.000 0.258 475 T C 2.108 176.778 174.700 -0.049 0.000 1.051 475 T CA 2.142 64.242 62.100 -0.000 0.000 1.155 475 T CB -0.146 68.731 68.868 0.013 0.000 0.864 475 T HN 0.647 nan 8.240 nan 0.000 0.413 476 S N 2.015 117.680 115.700 -0.059 0.000 2.380 476 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 476 S C -0.502 174.080 174.600 -0.030 0.000 1.043 476 S CA 1.780 59.958 58.200 -0.036 0.000 1.038 476 S CB -1.331 61.856 63.200 -0.023 0.000 0.872 476 S HN 0.508 nan 8.310 nan 0.000 0.456 477 P HA -0.055 nan 4.420 nan 0.000 0.218 477 P C 0.691 178.022 177.300 0.052 0.000 1.149 477 P CA 1.042 64.071 63.100 -0.119 0.000 0.817 477 P CB -0.087 31.420 31.700 -0.321 0.000 0.785 478 Y N -2.539 117.783 120.300 0.036 0.000 2.511 478 Y HA 0.130 4.680 4.550 -0.000 0.000 0.279 478 Y C 0.845 176.748 175.900 0.005 0.000 1.157 478 Y CA -0.583 57.524 58.100 0.011 0.000 1.300 478 Y CB -0.102 38.342 38.460 -0.027 0.000 1.052 478 Y HN -0.097 nan 8.280 nan 0.000 0.529 479 N N 0.314 119.098 118.700 0.140 0.000 2.776 479 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 479 N C -0.551 174.988 175.510 0.049 0.000 1.111 479 N CA 0.598 53.686 53.050 0.064 0.000 0.711 479 N CB -0.954 37.560 38.487 0.044 0.000 1.065 479 N HN 0.326 nan 8.380 nan 0.000 0.556 480 A N 0.680 123.547 122.820 0.079 0.000 2.310 480 A HA 0.541 4.861 4.320 -0.000 0.000 0.299 480 A C 0.283 177.823 177.584 -0.073 0.000 1.147 480 A CA -0.196 51.882 52.037 0.069 0.000 0.818 480 A CB 0.733 19.855 19.000 0.204 0.000 1.096 480 A HN 0.368 nan 8.150 nan 0.000 0.495 481 D N 0.286 120.629 120.400 -0.094 0.000 2.566 481 D HA 0.437 5.077 4.640 -0.000 0.000 0.254 481 D C -0.438 175.810 176.300 -0.086 0.000 1.090 481 D CA -0.445 53.369 54.000 -0.310 0.000 1.034 481 D CB 0.862 41.560 40.800 -0.170 0.000 1.434 481 D HN 0.388 nan 8.370 nan 0.000 0.509 482 F N -0.482 119.489 119.950 0.034 0.000 2.682 482 F HA 0.049 4.576 4.527 -0.000 0.000 0.308 482 F C 1.151 176.963 175.800 0.019 0.000 1.093 482 F CA -0.712 57.307 58.000 0.032 0.000 1.244 482 F CB 0.607 39.626 39.000 0.031 0.000 1.052 482 F HN 0.205 nan 8.300 nan 0.000 0.573 483 D N 1.104 121.588 120.400 0.139 0.000 2.813 483 D HA 0.049 4.689 4.640 -0.000 0.000 0.248 483 D C 1.321 177.661 176.300 0.067 0.000 1.254 483 D CA 0.912 54.962 54.000 0.083 0.000 0.921 483 D CB -0.208 40.613 40.800 0.035 0.000 1.118 483 D HN 0.478 nan 8.370 nan 0.000 0.450 484 G N 0.594 109.446 108.800 0.087 0.000 2.141 484 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.164 484 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.164 484 G C -0.515 174.420 174.900 0.058 0.000 1.009 484 G CA -0.538 44.596 45.100 0.056 0.000 0.677 484 G HN 0.402 nan 8.290 nan 0.000 0.508 485 D N 0.687 121.143 120.400 0.093 0.000 2.210 485 D HA 0.483 5.123 4.640 -0.000 0.000 0.249 485 D C 0.517 176.873 176.300 0.093 0.000 1.062 485 D CA 0.124 54.176 54.000 0.086 0.000 0.891 485 D CB 1.489 42.351 40.800 0.104 0.000 1.186 485 D HN 0.489 nan 8.370 nan 0.000 0.432 486 E N 0.792 121.029 120.200 0.062 0.000 2.281 486 E HA 0.628 4.978 4.350 -0.000 0.000 0.257 486 E C -0.336 176.302 176.600 0.062 0.000 0.971 486 E CA -0.758 55.680 56.400 0.064 0.000 0.839 486 E CB 2.062 31.779 29.700 0.029 0.000 1.238 486 E HN 0.228 nan 8.360 nan 0.000 0.412 487 M N 1.316 120.987 119.600 0.118 0.000 2.365 487 M HA 0.321 4.801 4.480 -0.000 0.000 0.287 487 M C -1.355 175.026 176.300 0.135 0.000 1.154 487 M CA -0.871 54.437 55.300 0.013 0.000 0.941 487 M CB 2.105 34.594 32.600 -0.184 0.000 1.704 487 M HN 0.384 nan 8.290 nan 0.000 0.479 488 N N 2.393 121.053 118.700 -0.066 0.000 2.495 488 N HA 0.805 5.544 4.740 -0.000 0.000 0.280 488 N C -1.248 174.164 175.510 -0.163 0.000 1.168 488 N CA -0.392 52.621 53.050 -0.061 0.000 0.978 488 N CB 1.614 40.016 38.487 -0.141 0.000 1.191 488 N HN 0.558 nan 8.380 nan 0.000 0.497 489 L N -0.700 120.390 121.223 -0.221 0.000 2.513 489 L HA 0.518 4.858 4.340 -0.000 0.000 0.261 489 L C -1.327 175.329 176.870 -0.356 0.000 0.945 489 L CA -0.574 54.139 54.840 -0.212 0.000 0.848 489 L CB 1.630 43.630 42.059 -0.099 0.000 1.334 489 L HN 0.456 nan 8.230 nan 0.000 0.407 490 H N 2.119 121.251 119.070 0.102 0.000 2.651 490 H HA 0.810 5.366 4.556 -0.000 0.000 0.353 490 H C -1.001 174.403 175.328 0.126 0.000 1.178 490 H CA -0.850 55.269 56.048 0.117 0.000 1.224 490 H CB 2.603 32.420 29.762 0.092 0.000 1.702 490 H HN 0.559 nan 8.280 nan 0.000 0.550 491 V N 4.112 124.206 119.914 0.299 0.000 2.444 491 V HA 0.199 4.319 4.120 -0.000 0.000 0.294 491 V C -1.881 174.337 176.094 0.207 0.000 1.022 491 V CA -1.613 60.839 62.300 0.252 0.000 0.850 491 V CB 1.835 33.854 31.823 0.327 0.000 0.992 491 V HN 0.635 nan 8.190 nan 0.000 0.426 492 P HA 0.091 nan 4.420 nan 0.000 0.270 492 P C -0.567 176.799 177.300 0.110 0.000 1.227 492 P CA 0.112 63.287 63.100 0.125 0.000 0.788 492 P CB 1.517 33.303 31.700 0.143 0.000 0.926 493 Q N -0.791 118.989 119.800 -0.033 0.000 2.210 493 Q HA 0.182 4.522 4.340 -0.000 0.000 0.252 493 Q C 0.350 176.154 176.000 -0.327 0.000 0.811 493 Q CA 0.228 55.854 55.803 -0.295 0.000 0.953 493 Q CB 0.448 28.928 28.738 -0.429 0.000 1.136 493 Q HN 0.488 nan 8.270 nan 0.000 0.491 494 S N -0.696 114.957 115.700 -0.079 0.000 2.513 494 S HA 0.309 4.779 4.470 -0.000 0.000 0.299 494 S C 0.589 175.254 174.600 0.109 0.000 1.087 494 S CA -0.406 57.775 58.200 -0.031 0.000 1.012 494 S CB 1.448 64.617 63.200 -0.052 0.000 1.044 494 S HN 0.150 nan 8.310 nan 0.000 0.485 495 E N 2.363 122.642 120.200 0.132 0.000 2.208 495 E HA -0.245 4.105 4.350 -0.000 0.000 0.202 495 E C 1.600 178.248 176.600 0.079 0.000 1.014 495 E CA 2.581 59.061 56.400 0.133 0.000 0.819 495 E CB -0.043 29.713 29.700 0.094 0.000 0.735 495 E HN 0.857 nan 8.360 nan 0.000 0.469 496 E N -2.075 118.156 120.200 0.051 0.000 2.190 496 E HA -0.034 4.315 4.350 -0.000 0.000 0.191 496 E C 1.941 178.560 176.600 0.031 0.000 0.978 496 E CA 1.141 57.562 56.400 0.036 0.000 0.839 496 E CB -0.331 29.383 29.700 0.023 0.000 0.787 496 E HN 0.013 nan 8.360 nan 0.000 0.473 497 T N 1.769 116.343 114.554 0.032 0.000 2.643 497 T HA -0.202 4.148 4.350 -0.000 0.000 0.264 497 T C 1.883 176.608 174.700 0.042 0.000 1.045 497 T CA 2.121 64.237 62.100 0.026 0.000 1.155 497 T CB -0.309 68.570 68.868 0.019 0.000 0.863 497 T HN 0.390 nan 8.240 nan 0.000 0.420 498 R N 1.899 122.442 120.500 0.071 0.000 2.096 498 R HA -0.055 4.285 4.340 -0.000 0.000 0.240 498 R C 2.542 178.860 176.300 0.031 0.000 1.139 498 R CA 1.722 57.856 56.100 0.057 0.000 0.952 498 R CB -0.953 29.381 30.300 0.056 0.000 0.854 498 R HN 0.312 nan 8.270 nan 0.000 0.436 499 A N 1.210 124.049 122.820 0.033 0.000 1.927 499 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 499 A C 2.131 179.726 177.584 0.018 0.000 1.185 499 A CA 1.982 54.034 52.037 0.024 0.000 0.639 499 A CB -0.654 18.364 19.000 0.030 0.000 0.820 499 A HN 0.649 nan 8.150 nan 0.000 0.451 500 E N -0.787 119.424 120.200 0.018 0.000 2.150 500 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 500 E C 1.917 178.520 176.600 0.005 0.000 0.985 500 E CA 0.913 57.319 56.400 0.010 0.000 0.814 500 E CB -0.141 29.561 29.700 0.004 0.000 0.752 500 E HN 0.689 nan 8.360 nan 0.000 0.466 501 L N 0.159 121.388 121.223 0.010 0.000 2.068 501 L HA -0.134 4.206 4.340 -0.000 0.000 0.204 501 L C 2.711 179.579 176.870 -0.003 0.000 1.076 501 L CA 1.224 56.069 54.840 0.008 0.000 0.753 501 L CB -0.458 41.614 42.059 0.022 0.000 0.910 501 L HN 0.144 nan 8.230 nan 0.000 0.439 502 S N -0.856 114.844 115.700 -0.001 0.000 2.368 502 S HA -0.207 4.263 4.470 -0.000 0.000 0.225 502 S C 1.916 176.511 174.600 -0.010 0.000 1.030 502 S CA 0.924 59.119 58.200 -0.008 0.000 0.999 502 S CB -0.288 62.909 63.200 -0.005 0.000 0.844 502 S HN 0.356 nan 8.310 nan 0.000 0.459 503 Q N 0.167 119.964 119.800 -0.005 0.000 2.424 503 Q HA 0.389 4.729 4.340 -0.000 0.000 0.204 503 Q C 1.209 177.201 176.000 -0.014 0.000 0.933 503 Q CA 0.523 56.323 55.803 -0.006 0.000 0.929 503 Q CB 0.075 28.814 28.738 0.001 0.000 1.037 503 Q HN 0.577 nan 8.270 nan 0.000 0.511 504 L N -2.803 118.411 121.223 -0.015 0.000 2.953 504 L HA 0.134 4.474 4.340 -0.000 0.000 0.258 504 L C 1.247 178.103 176.870 -0.024 0.000 1.100 504 L CA 0.370 55.197 54.840 -0.021 0.000 0.971 504 L CB 0.283 42.330 42.059 -0.020 0.000 1.474 504 L HN -0.045 nan 8.230 nan 0.000 0.540 505 C N 0.847 120.134 119.300 -0.023 0.000 2.906 505 C HA 0.624 5.084 4.460 -0.000 0.000 0.274 505 C C 1.460 176.418 174.990 -0.053 0.000 1.257 505 C CA -0.925 58.077 59.018 -0.028 0.000 1.695 505 C CB -1.168 26.564 27.740 -0.013 0.000 1.958 505 C HN 0.356 nan 8.230 nan 0.000 0.619 506 A N 0.885 123.672 122.820 -0.055 0.000 2.498 506 A HA 0.344 4.664 4.320 -0.000 0.000 0.239 506 A C 1.398 178.918 177.584 -0.107 0.000 1.068 506 A CA 0.198 52.186 52.037 -0.082 0.000 0.766 506 A CB 0.355 19.322 19.000 -0.054 0.000 1.003 506 A HN 0.237 nan 8.150 nan 0.000 0.497 507 V N 3.450 123.262 119.914 -0.169 0.000 2.332 507 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 507 V C -0.415 175.609 176.094 -0.116 0.000 1.055 507 V CA 2.629 64.823 62.300 -0.177 0.000 1.038 507 V CB -1.576 30.108 31.823 -0.230 0.000 0.651 507 V HN 0.821 nan 8.190 nan 0.000 0.450 508 P HA -0.168 nan 4.420 nan 0.000 0.217 508 P C 1.706 178.989 177.300 -0.029 0.000 1.148 508 P CA 1.492 64.572 63.100 -0.034 0.000 0.828 508 P CB -0.020 31.671 31.700 -0.014 0.000 0.783 509 L N -1.154 120.044 121.223 -0.042 0.000 1.982 509 L HA -0.136 4.204 4.340 -0.000 0.000 0.206 509 L C 2.374 179.219 176.870 -0.043 0.000 1.078 509 L CA 1.182 56.002 54.840 -0.033 0.000 0.749 509 L CB -1.374 40.666 42.059 -0.032 0.000 0.894 509 L HN -0.167 nan 8.230 nan 0.000 0.436 510 Q N 0.213 119.976 119.800 -0.062 0.000 2.528 510 Q HA -0.228 4.112 4.340 -0.000 0.000 0.217 510 Q C 2.003 177.950 176.000 -0.089 0.000 0.988 510 Q CA 1.233 56.989 55.803 -0.077 0.000 0.900 510 Q CB -0.896 27.785 28.738 -0.096 0.000 0.947 510 Q HN 0.567 nan 8.270 nan 0.000 0.502 511 I N -0.374 120.153 120.570 -0.072 0.000 2.181 511 I HA -0.240 3.930 4.170 -0.000 0.000 0.247 511 I C 0.205 176.287 176.117 -0.059 0.000 1.081 511 I CA 1.030 62.300 61.300 -0.050 0.000 1.340 511 I CB 0.375 38.382 38.000 0.011 0.000 1.036 511 I HN -0.092 nan 8.210 nan 0.000 0.417 512 V N 1.229 121.096 119.914 -0.078 0.000 2.326 512 V HA 0.193 4.313 4.120 -0.000 0.000 0.281 512 V C -0.083 175.963 176.094 -0.080 0.000 1.015 512 V CA -0.401 61.823 62.300 -0.127 0.000 0.823 512 V CB 1.190 32.894 31.823 -0.200 0.000 1.009 512 V HN 0.289 nan 8.190 nan 0.000 0.436 513 S N 7.740 123.392 115.700 -0.080 0.000 2.537 513 S HA 0.427 4.897 4.470 -0.000 0.000 0.275 513 S C -1.077 173.529 174.600 0.010 0.000 1.272 513 S CA -1.250 56.921 58.200 -0.048 0.000 1.050 513 S CB 1.551 64.693 63.200 -0.096 0.000 0.961 513 S HN 0.608 nan 8.310 nan 0.000 0.496 514 P HA -0.067 nan 4.420 nan 0.000 0.236 514 P C 0.664 178.133 177.300 0.281 0.000 1.177 514 P CA 0.572 63.761 63.100 0.147 0.000 0.773 514 P CB -0.130 31.678 31.700 0.179 0.000 0.878 515 Q N 0.714 120.612 119.800 0.164 0.000 2.466 515 Q HA 0.053 4.393 4.340 -0.000 0.000 0.210 515 Q C 0.730 176.764 176.000 0.057 0.000 0.961 515 Q CA 0.843 56.750 55.803 0.173 0.000 0.953 515 Q CB -0.410 28.312 28.738 -0.026 0.000 1.011 515 Q HN 0.187 nan 8.270 nan 0.000 0.516 516 S N -0.727 114.972 115.700 -0.002 0.000 2.906 516 S HA 0.018 4.488 4.470 -0.000 0.000 0.195 516 S C -0.506 174.120 174.600 0.043 0.000 0.778 516 S CA -0.335 57.773 58.200 -0.153 0.000 0.980 516 S CB -1.587 61.561 63.200 -0.086 0.000 1.469 516 S HN 0.579 nan 8.310 nan 0.000 0.550 517 N N 1.987 120.734 118.700 0.078 0.000 2.730 517 N HA -0.281 4.459 4.740 -0.000 0.000 0.266 517 N C -0.472 175.143 175.510 0.175 0.000 0.949 517 N CA 1.914 55.048 53.050 0.141 0.000 0.829 517 N CB -1.580 37.022 38.487 0.191 0.000 0.916 517 N HN 1.046 nan 8.380 nan 0.000 0.558 518 K N -2.400 118.031 120.400 0.053 0.000 2.575 518 K HA 0.535 4.855 4.320 -0.000 0.000 0.279 518 K C -3.411 173.107 176.600 -0.137 0.000 0.969 518 K CA -1.950 54.331 56.287 -0.011 0.000 0.868 518 K CB 2.255 34.839 32.500 0.140 0.000 1.457 518 K HN -0.092 nan 8.250 nan 0.000 0.426 519 P HA 0.056 nan 4.420 nan 0.000 0.271 519 P C 0.721 177.999 177.300 -0.038 0.000 1.218 519 P CA -0.448 62.578 63.100 -0.123 0.000 0.780 519 P CB 0.812 32.461 31.700 -0.086 0.000 0.901 520 C N 1.111 120.383 119.300 -0.046 0.000 2.865 520 C HA 0.371 4.831 4.460 -0.000 0.000 0.280 520 C C 1.181 176.154 174.990 -0.029 0.000 1.255 520 C CA -0.144 58.846 59.018 -0.047 0.000 1.705 520 C CB -1.015 26.652 27.740 -0.121 0.000 2.080 520 C HN 0.372 nan 8.230 nan 0.000 0.591 521 M N 1.211 120.813 119.600 0.002 0.000 2.734 521 M HA 0.693 5.173 4.480 -0.000 0.000 0.264 521 M C 0.406 176.822 176.300 0.194 0.000 1.080 521 M CA 0.742 56.059 55.300 0.028 0.000 0.981 521 M CB 1.433 33.974 32.600 -0.098 0.000 1.514 521 M HN 0.447 nan 8.290 nan 0.000 0.569 522 G N 0.289 109.317 108.800 0.380 0.000 2.321 522 G HA2 0.151 4.111 3.960 -0.000 0.000 0.339 522 G HA3 0.151 4.111 3.960 -0.000 0.000 0.339 522 G C -1.249 173.835 174.900 0.307 0.000 1.518 522 G CA -1.189 44.159 45.100 0.413 0.000 0.994 522 G HN 0.692 nan 8.290 nan 0.000 0.668 523 I N 0.411 121.101 120.570 0.200 0.000 2.752 523 I HA 0.237 4.407 4.170 -0.000 0.000 0.289 523 I C 0.674 176.838 176.117 0.080 0.000 1.197 523 I CA 0.278 61.661 61.300 0.139 0.000 1.432 523 I CB 0.340 38.373 38.000 0.055 0.000 1.359 523 I HN 0.332 nan 8.210 nan 0.000 0.571 524 V N 4.911 124.869 119.914 0.074 0.000 3.160 524 V HA 0.361 4.481 4.120 -0.000 0.000 0.310 524 V C 0.217 176.329 176.094 0.030 0.000 1.181 524 V CA -0.705 61.619 62.300 0.040 0.000 1.047 524 V CB 1.604 33.447 31.823 0.033 0.000 1.068 524 V HN 0.982 nan 8.190 nan 0.000 0.441 525 Q N -0.023 119.783 119.800 0.010 0.000 1.890 525 Q HA -0.370 3.970 4.340 -0.000 0.000 0.435 525 Q C 1.059 177.054 176.000 -0.009 0.000 0.839 525 Q CA 1.841 57.645 55.803 0.002 0.000 0.778 525 Q CB -0.929 27.821 28.738 0.020 0.000 3.954 525 Q HN 0.951 nan 8.270 nan 0.000 0.790 526 D N -0.175 120.230 120.400 0.010 0.000 2.339 526 D HA -0.206 4.434 4.640 -0.000 0.000 0.189 526 D C 1.911 178.217 176.300 0.011 0.000 1.022 526 D CA 2.601 56.606 54.000 0.009 0.000 0.884 526 D CB -0.495 40.336 40.800 0.051 0.000 0.916 526 D HN 0.541 nan 8.370 nan 0.000 0.453 527 T N -0.034 114.541 114.554 0.034 0.000 2.812 527 T HA -0.104 4.246 4.350 -0.000 0.000 0.264 527 T C 1.858 176.557 174.700 -0.001 0.000 1.042 527 T CA 0.827 62.949 62.100 0.037 0.000 1.140 527 T CB -0.339 68.568 68.868 0.065 0.000 0.870 527 T HN 0.074 nan 8.240 nan 0.000 0.445 528 L N 1.169 122.386 121.223 -0.011 0.000 2.044 528 L HA 0.097 4.437 4.340 -0.000 0.000 0.205 528 L C 2.622 179.448 176.870 -0.072 0.000 1.075 528 L CA 1.329 56.148 54.840 -0.035 0.000 0.747 528 L CB -1.324 40.722 42.059 -0.021 0.000 0.903 528 L HN 0.406 nan 8.230 nan 0.000 0.435 529 C N 0.166 119.403 119.300 -0.105 0.000 2.422 529 C HA -0.008 4.452 4.460 -0.000 0.000 0.279 529 C C 2.696 177.562 174.990 -0.206 0.000 1.305 529 C CA 0.830 59.722 59.018 -0.210 0.000 1.757 529 C CB -1.716 25.824 27.740 -0.333 0.000 1.962 529 C HN 0.719 nan 8.230 nan 0.000 0.499 530 G N -0.159 108.578 108.800 -0.105 0.000 2.408 530 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.213 530 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.213 530 G C 1.421 176.297 174.900 -0.040 0.000 1.177 530 G CA 0.754 45.861 45.100 0.011 0.000 0.802 530 G HN 0.480 nan 8.290 nan 0.000 0.533 531 I N 1.168 121.692 120.570 -0.076 0.000 2.185 531 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 531 I C 2.651 178.666 176.117 -0.170 0.000 1.088 531 I CA 1.954 63.173 61.300 -0.135 0.000 1.347 531 I CB -0.260 37.681 38.000 -0.098 0.000 1.041 531 I HN 0.236 nan 8.210 nan 0.000 0.415 532 R N 0.738 121.164 120.500 -0.122 0.000 2.096 532 R HA -0.237 4.103 4.340 -0.000 0.000 0.229 532 R C 2.335 178.562 176.300 -0.122 0.000 1.134 532 R CA 2.303 58.339 56.100 -0.106 0.000 0.917 532 R CB -0.394 29.863 30.300 -0.072 0.000 0.832 532 R HN 0.318 nan 8.270 nan 0.000 0.430 533 K N 0.393 120.747 120.400 -0.076 0.000 2.034 533 K HA -0.226 4.094 4.320 -0.000 0.000 0.214 533 K C 2.190 178.624 176.600 -0.278 0.000 1.051 533 K CA 1.765 58.043 56.287 -0.016 0.000 0.931 533 K CB -0.597 32.046 32.500 0.238 0.000 0.715 533 K HN 0.177 nan 8.250 nan 0.000 0.446 534 L N 1.813 122.609 121.223 -0.710 0.000 2.034 534 L HA -0.267 4.073 4.340 -0.000 0.000 0.217 534 L C 1.968 178.477 176.870 -0.602 0.000 1.077 534 L CA 2.047 56.170 54.840 -1.196 0.000 0.769 534 L CB -1.003 40.405 42.059 -1.085 0.000 0.890 534 L HN 0.209 nan 8.230 nan 0.000 0.435 535 T N -0.080 114.248 114.554 -0.375 0.000 2.453 535 T HA -0.129 4.221 4.350 -0.000 0.000 0.243 535 T C 0.751 175.337 174.700 -0.191 0.000 1.254 535 T CA 0.652 62.603 62.100 -0.249 0.000 1.327 535 T CB -0.599 68.162 68.868 -0.179 0.000 0.885 535 T HN 0.279 nan 8.240 nan 0.000 0.391 536 L N 2.147 123.299 121.223 -0.118 0.000 4.659 536 L HA -0.279 4.061 4.340 -0.000 0.000 0.579 536 L C 1.731 178.565 176.870 -0.060 0.000 0.948 536 L CA -0.058 54.747 54.840 -0.058 0.000 0.465 536 L CB -0.068 41.985 42.059 -0.011 0.000 0.399 536 L HN 0.359 nan 8.230 nan 0.000 1.160 537 R N 2.523 123.002 120.500 -0.035 0.000 2.159 537 R HA -0.282 4.057 4.340 -0.000 0.000 0.249 537 R C 1.400 177.744 176.300 0.072 0.000 1.136 537 R CA 2.386 58.471 56.100 -0.025 0.000 0.951 537 R CB -0.348 29.978 30.300 0.043 0.000 0.876 537 R HN 0.722 nan 8.270 nan 0.000 0.440 538 D N -0.125 120.363 120.400 0.147 0.000 2.420 538 D HA -0.063 4.577 4.640 -0.000 0.000 0.233 538 D C -0.548 175.943 176.300 0.317 0.000 1.017 538 D CA 0.782 54.932 54.000 0.249 0.000 0.951 538 D CB 0.160 41.048 40.800 0.148 0.000 0.877 538 D HN 0.042 nan 8.370 nan 0.000 0.528 539 T N 0.197 114.871 114.554 0.201 0.000 2.791 539 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 539 T C -0.920 173.831 174.700 0.084 0.000 0.999 539 T CA -0.546 61.675 62.100 0.202 0.000 0.952 539 T CB 0.448 69.356 68.868 0.066 0.000 0.938 539 T HN -0.145 nan 8.240 nan 0.000 0.444 540 F N 2.580 122.584 119.950 0.090 0.000 2.579 540 F HA 0.728 5.255 4.527 -0.000 0.000 0.324 540 F C 0.000 175.893 175.800 0.155 0.000 1.058 540 F CA -1.508 56.550 58.000 0.098 0.000 0.944 540 F CB 1.452 40.491 39.000 0.065 0.000 1.245 540 F HN 0.314 nan 8.300 nan 0.000 0.477 541 I N 2.025 122.814 120.570 0.364 0.000 2.512 541 I HA 0.238 4.408 4.170 -0.000 0.000 0.287 541 I C -0.242 176.120 176.117 0.408 0.000 1.069 541 I CA -0.797 60.694 61.300 0.319 0.000 1.056 541 I CB 1.719 39.870 38.000 0.252 0.000 1.229 541 I HN 0.578 nan 8.210 nan 0.000 0.429 542 E N 5.846 126.239 120.200 0.321 0.000 2.605 542 E HA 0.080 4.430 4.350 -0.000 0.000 0.255 542 E C 0.676 177.520 176.600 0.407 0.000 1.369 542 E CA -0.478 56.160 56.400 0.395 0.000 1.017 542 E CB 0.940 30.776 29.700 0.226 0.000 1.086 542 E HN 0.401 nan 8.360 nan 0.000 0.605 543 L N 1.720 123.221 121.223 0.463 0.000 1.892 543 L HA -0.277 4.063 4.340 -0.000 0.000 0.233 543 L C 1.912 178.756 176.870 -0.043 0.000 1.090 543 L CA 2.794 57.719 54.840 0.141 0.000 0.821 543 L CB -1.213 40.993 42.059 0.245 0.000 0.896 543 L HN 0.900 nan 8.230 nan 0.000 0.428 544 D N -0.853 119.554 120.400 0.011 0.000 4.769 544 D HA -0.468 4.172 4.640 -0.000 0.000 0.434 544 D C 1.782 178.061 176.300 -0.036 0.000 1.471 544 D CA 2.749 56.746 54.000 -0.004 0.000 1.222 544 D CB -1.059 39.754 40.800 0.021 0.000 0.703 544 D HN 0.738 nan 8.370 nan 0.000 0.751 545 Q N 0.467 120.241 119.800 -0.044 0.000 2.002 545 Q HA -0.128 4.212 4.340 -0.000 0.000 0.204 545 Q C 2.734 178.676 176.000 -0.096 0.000 0.988 545 Q CA 2.338 58.095 55.803 -0.077 0.000 0.843 545 Q CB -0.117 28.557 28.738 -0.107 0.000 0.908 545 Q HN 0.382 nan 8.270 nan 0.000 0.420 546 V N 1.352 121.161 119.914 -0.174 0.000 2.278 546 V HA -0.346 3.774 4.120 -0.000 0.000 0.251 546 V C 2.376 178.257 176.094 -0.356 0.000 1.062 546 V CA 1.881 63.979 62.300 -0.338 0.000 1.038 546 V CB -0.664 30.715 31.823 -0.740 0.000 0.646 546 V HN 0.447 nan 8.190 nan 0.000 0.447 547 L N -0.202 120.833 121.223 -0.313 0.000 2.079 547 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 547 L C 2.527 179.326 176.870 -0.118 0.000 1.081 547 L CA 1.737 56.431 54.840 -0.244 0.000 0.752 547 L CB -0.736 41.242 42.059 -0.136 0.000 0.896 547 L HN 0.478 nan 8.230 nan 0.000 0.433 548 N N -0.156 118.549 118.700 0.008 0.000 2.080 548 N HA -0.153 4.587 4.740 -0.000 0.000 0.189 548 N C 1.949 177.581 175.510 0.203 0.000 1.036 548 N CA 1.332 54.489 53.050 0.178 0.000 0.846 548 N CB -0.136 38.517 38.487 0.277 0.000 1.015 548 N HN 0.284 nan 8.380 nan 0.000 0.423 549 M N 1.014 120.719 119.600 0.176 0.000 2.088 549 M HA -0.211 4.269 4.480 -0.000 0.000 0.256 549 M C 2.245 178.528 176.300 -0.028 0.000 1.071 549 M CA 1.513 56.900 55.300 0.145 0.000 1.097 549 M CB -0.600 32.015 32.600 0.025 0.000 1.315 549 M HN 0.119 nan 8.290 nan 0.000 0.406 550 L N -1.267 119.775 121.223 -0.302 0.000 1.978 550 L HA -0.308 4.032 4.340 -0.000 0.000 0.218 550 L C 2.629 179.236 176.870 -0.439 0.000 1.075 550 L CA 1.721 56.124 54.840 -0.728 0.000 0.767 550 L CB -1.140 40.079 42.059 -1.400 0.000 0.890 550 L HN 0.277 nan 8.230 nan 0.000 0.434 551 Y N -0.432 119.664 120.300 -0.339 0.000 2.151 551 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 551 Y C 2.202 178.165 175.900 0.104 0.000 1.166 551 Y CA 1.190 59.301 58.100 0.018 0.000 1.163 551 Y CB -0.832 37.670 38.460 0.069 0.000 0.974 551 Y HN 0.135 nan 8.280 nan 0.000 0.511 552 W N 0.117 121.320 121.300 -0.162 0.000 2.364 552 W HA -0.080 4.580 4.660 -0.000 0.000 0.281 552 W C 0.700 177.136 176.519 -0.138 0.000 1.219 552 W CA 1.430 58.621 57.345 -0.256 0.000 1.220 552 W CB -0.635 28.685 29.460 -0.234 0.000 1.127 552 W HN -0.308 nan 8.180 nan 0.000 0.556 553 V N 4.412 124.416 119.914 0.150 0.000 2.397 553 V HA -0.051 4.069 4.120 -0.000 0.000 0.262 553 V C -0.608 175.558 176.094 0.120 0.000 1.047 553 V CA -0.917 61.463 62.300 0.133 0.000 1.003 553 V CB 0.181 32.088 31.823 0.140 0.000 1.037 553 V HN -0.073 nan 8.190 nan 0.000 0.480 554 P HA -0.247 nan 4.420 nan 0.000 0.219 554 P C 0.890 178.242 177.300 0.087 0.000 1.161 554 P CA 1.805 64.907 63.100 0.004 0.000 0.909 554 P CB 0.425 32.111 31.700 -0.024 0.000 0.793 555 D N -1.696 118.771 120.400 0.112 0.000 2.084 555 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 555 D C 0.747 177.156 176.300 0.180 0.000 0.981 555 D CA 0.259 54.329 54.000 0.115 0.000 0.841 555 D CB -1.136 39.719 40.800 0.092 0.000 0.997 555 D HN 0.147 nan 8.370 nan 0.000 0.454 556 W N 4.353 125.676 121.300 0.039 0.000 2.553 556 W HA -0.236 4.424 4.660 -0.000 0.000 0.313 556 W C 0.918 177.462 176.519 0.042 0.000 0.688 556 W CA 0.337 57.711 57.345 0.047 0.000 0.576 556 W CB -0.363 29.140 29.460 0.072 0.000 1.484 556 W HN 0.202 nan 8.180 nan 0.000 0.466 557 D N 4.323 124.499 120.400 -0.372 0.000 2.417 557 D HA -0.084 4.556 4.640 -0.000 0.000 0.225 557 D C 1.657 177.402 176.300 -0.924 0.000 0.983 557 D CA 1.081 54.797 54.000 -0.474 0.000 0.949 557 D CB -0.682 39.971 40.800 -0.244 0.000 0.879 557 D HN 1.149 nan 8.370 nan 0.000 0.520 558 G N -0.165 107.357 108.800 -2.129 0.000 2.225 558 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.267 558 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.267 558 G C 0.090 174.148 174.900 -1.403 0.000 1.024 558 G CA 0.273 43.890 45.100 -2.472 0.000 0.784 558 G HN 0.430 nan 8.290 nan 0.000 0.507 559 V N 2.657 122.055 119.914 -0.861 0.000 2.380 559 V HA 0.351 4.471 4.120 -0.000 0.000 0.272 559 V C 1.057 177.405 176.094 0.422 0.000 1.011 559 V CA -0.693 61.587 62.300 -0.033 0.000 0.826 559 V CB 0.863 32.640 31.823 -0.077 0.000 1.040 559 V HN 0.651 nan 8.190 nan 0.000 0.441 560 I N 3.464 124.387 120.570 0.587 0.000 3.153 560 I HA 0.091 4.261 4.170 -0.000 0.000 0.330 560 I C -1.748 174.544 176.117 0.292 0.000 1.198 560 I CA -0.486 61.045 61.300 0.385 0.000 1.475 560 I CB -0.001 38.141 38.000 0.237 0.000 1.295 560 I HN 0.363 nan 8.210 nan 0.000 0.540 561 P HA 0.221 nan 4.420 nan 0.000 0.284 561 P C -0.630 176.920 177.300 0.415 0.000 1.258 561 P CA -0.419 62.849 63.100 0.280 0.000 0.824 561 P CB 1.129 32.969 31.700 0.234 0.000 1.038 562 T N 3.470 118.191 114.554 0.279 0.000 2.867 562 T HA 0.174 4.524 4.350 -0.000 0.000 0.297 562 T C -2.131 172.646 174.700 0.128 0.000 0.989 562 T CA -0.579 61.647 62.100 0.210 0.000 1.159 562 T CB -0.803 68.123 68.868 0.097 0.000 0.928 562 T HN 0.345 nan 8.240 nan 0.000 0.538 563 P HA 0.245 nan 4.420 nan 0.000 0.268 563 P C 0.146 177.223 177.300 -0.372 0.000 1.204 563 P CA -0.326 62.278 63.100 -0.828 0.000 0.768 563 P CB 0.450 31.453 31.700 -1.163 0.000 0.842 564 A N 3.716 126.358 122.820 -0.297 0.000 2.206 564 A HA 0.097 4.417 4.320 -0.000 0.000 0.211 564 A C 0.848 178.370 177.584 -0.105 0.000 1.158 564 A CA 0.769 52.730 52.037 -0.128 0.000 0.761 564 A CB -0.602 18.355 19.000 -0.072 0.000 0.801 564 A HN 0.538 nan 8.150 nan 0.000 0.473 565 I N 0.627 121.088 120.570 -0.182 0.000 2.563 565 I HA 0.240 4.410 4.170 -0.000 0.000 0.276 565 I C 0.098 176.099 176.117 -0.193 0.000 1.074 565 I CA -0.154 61.074 61.300 -0.121 0.000 1.124 565 I CB 1.412 39.392 38.000 -0.032 0.000 1.225 565 I HN 0.189 nan 8.210 nan 0.000 0.482 566 I N 4.022 124.505 120.570 -0.146 0.000 3.427 566 I HA -0.047 4.123 4.170 -0.000 0.000 0.288 566 I C 2.214 178.280 176.117 -0.085 0.000 1.249 566 I CA 0.087 61.309 61.300 -0.130 0.000 1.421 566 I CB -0.292 37.655 38.000 -0.087 0.000 1.086 566 I HN 0.534 nan 8.210 nan 0.000 0.448 567 K N 2.277 122.634 120.400 -0.072 0.000 2.512 567 K HA -0.250 4.070 4.320 -0.000 0.000 0.227 567 K C -0.703 175.868 176.600 -0.049 0.000 0.699 567 K CA 2.782 59.037 56.287 -0.054 0.000 0.890 567 K CB -1.153 31.315 32.500 -0.054 0.000 0.354 567 K HN 0.098 nan 8.250 nan 0.000 0.998 568 P HA 0.041 nan 4.420 nan 0.000 0.212 568 P C -0.410 176.867 177.300 -0.039 0.000 1.171 568 P CA 0.853 63.929 63.100 -0.041 0.000 0.892 568 P CB 0.130 31.805 31.700 -0.042 0.000 0.769 569 K N 1.149 121.520 120.400 -0.048 0.000 2.206 569 K HA 0.307 4.627 4.320 -0.000 0.000 0.264 569 K C -2.480 174.073 176.600 -0.078 0.000 0.967 569 K CA -2.673 53.592 56.287 -0.037 0.000 0.844 569 K CB 1.038 33.527 32.500 -0.018 0.000 1.099 569 K HN -0.052 nan 8.250 nan 0.000 0.441 570 P HA 0.053 nan 4.420 nan 0.000 0.271 570 P C -1.128 175.949 177.300 -0.372 0.000 1.233 570 P CA -0.219 62.713 63.100 -0.280 0.000 0.764 570 P CB 0.694 32.259 31.700 -0.224 0.000 0.825 571 L N 4.509 125.457 121.223 -0.458 0.000 2.301 571 L HA 0.640 4.980 4.340 -0.000 0.000 0.264 571 L C -0.107 176.500 176.870 -0.438 0.000 1.016 571 L CA -0.468 54.257 54.840 -0.193 0.000 0.821 571 L CB 1.494 43.638 42.059 0.141 0.000 1.346 571 L HN 0.433 nan 8.230 nan 0.000 0.429 572 W N -0.081 121.293 121.300 0.123 0.000 2.950 572 W HA 0.615 5.275 4.660 -0.000 0.000 0.340 572 W C -0.568 175.889 176.519 -0.103 0.000 1.139 572 W CA -0.711 56.640 57.345 0.010 0.000 1.188 572 W CB 2.263 31.717 29.460 -0.010 0.000 1.426 572 W HN 0.500 nan 8.180 nan 0.000 0.531 573 S N -0.386 115.280 115.700 -0.056 0.000 2.578 573 S HA 0.579 5.049 4.470 -0.000 0.000 0.301 573 S C 0.793 175.267 174.600 -0.211 0.000 1.091 573 S CA -0.056 57.948 58.200 -0.328 0.000 1.032 573 S CB 1.935 64.817 63.200 -0.530 0.000 1.064 573 S HN 0.652 nan 8.310 nan 0.000 0.508 574 G N 2.349 110.978 108.800 -0.286 0.000 2.721 574 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 574 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 574 G C 1.177 175.923 174.900 -0.255 0.000 1.265 574 G CA 1.331 46.224 45.100 -0.344 0.000 0.796 574 G HN 0.855 nan 8.290 nan 0.000 0.620 575 K N 0.147 120.409 120.400 -0.230 0.000 2.090 575 K HA -0.357 3.962 4.320 -0.000 0.000 0.218 575 K C 2.527 179.050 176.600 -0.128 0.000 1.055 575 K CA 2.014 58.199 56.287 -0.170 0.000 0.941 575 K CB -0.499 31.914 32.500 -0.145 0.000 0.722 575 K HN 0.557 nan 8.250 nan 0.000 0.458 576 Q N 1.010 120.745 119.800 -0.108 0.000 1.998 576 Q HA -0.224 4.116 4.340 -0.000 0.000 0.209 576 Q C 2.289 178.278 176.000 -0.019 0.000 1.002 576 Q CA 2.506 58.288 55.803 -0.035 0.000 0.858 576 Q CB -0.219 28.531 28.738 0.020 0.000 0.932 576 Q HN 0.607 nan 8.270 nan 0.000 0.416 577 I N -1.693 118.852 120.570 -0.042 0.000 2.406 577 I HA -0.097 4.073 4.170 -0.000 0.000 0.249 577 I C 2.271 178.331 176.117 -0.095 0.000 1.122 577 I CA 0.603 61.858 61.300 -0.076 0.000 1.431 577 I CB -0.508 37.414 38.000 -0.130 0.000 1.087 577 I HN 0.233 nan 8.210 nan 0.000 0.424 578 L N 1.690 122.837 121.223 -0.128 0.000 2.270 578 L HA -0.178 4.162 4.340 -0.000 0.000 0.217 578 L C 2.116 178.936 176.870 -0.084 0.000 1.107 578 L CA 1.814 56.578 54.840 -0.126 0.000 0.772 578 L CB -0.703 41.253 42.059 -0.170 0.000 0.902 578 L HN 0.270 nan 8.230 nan 0.000 0.439 579 S N -1.661 113.998 115.700 -0.067 0.000 2.562 579 S HA 0.020 4.490 4.470 -0.000 0.000 0.221 579 S C 1.737 176.332 174.600 -0.007 0.000 0.975 579 S CA 0.726 58.900 58.200 -0.043 0.000 0.918 579 S CB -0.147 63.029 63.200 -0.039 0.000 0.772 579 S HN 0.360 nan 8.310 nan 0.000 0.531 580 V N 1.505 121.417 119.914 -0.003 0.000 2.913 580 V HA -0.063 4.057 4.120 -0.000 0.000 0.260 580 V C 2.348 178.475 176.094 0.056 0.000 1.098 580 V CA 1.449 63.774 62.300 0.042 0.000 1.121 580 V CB -1.082 30.738 31.823 -0.006 0.000 0.714 580 V HN 0.557 nan 8.190 nan 0.000 0.487 581 A N -0.197 122.635 122.820 0.020 0.000 1.943 581 A HA 0.250 4.570 4.320 -0.000 0.000 0.213 581 A C 1.157 178.747 177.584 0.011 0.000 1.181 581 A CA 0.155 52.206 52.037 0.024 0.000 0.653 581 A CB -0.152 18.851 19.000 0.006 0.000 0.833 581 A HN 0.468 nan 8.150 nan 0.000 0.451 582 I N 2.988 123.553 120.570 -0.009 0.000 2.581 582 I HA 0.069 4.239 4.170 -0.000 0.000 0.285 582 I C -1.404 174.717 176.117 0.006 0.000 1.129 582 I CA -1.665 59.624 61.300 -0.018 0.000 1.397 582 I CB 0.461 38.437 38.000 -0.040 0.000 1.399 582 I HN 0.244 nan 8.210 nan 0.000 0.537 583 P HA -0.056 nan 4.420 nan 0.000 0.316 583 P C -0.524 176.797 177.300 0.035 0.000 1.413 583 P CA 0.425 63.542 63.100 0.029 0.000 0.828 583 P CB 0.449 32.165 31.700 0.027 0.000 1.787 584 N N -2.629 116.098 118.700 0.046 0.000 2.577 584 N HA 0.330 5.070 4.740 -0.000 0.000 0.285 584 N C 0.951 176.516 175.510 0.091 0.000 1.309 584 N CA 0.125 53.212 53.050 0.062 0.000 0.798 584 N CB 0.974 39.495 38.487 0.055 0.000 1.463 584 N HN 0.690 nan 8.380 nan 0.000 0.518 585 G N -0.082 108.800 108.800 0.136 0.000 2.249 585 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.269 585 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.269 585 G C 0.133 175.192 174.900 0.266 0.000 0.979 585 G CA 0.175 45.379 45.100 0.173 0.000 0.644 585 G HN 0.492 nan 8.290 nan 0.000 0.546 586 I N 1.825 122.516 120.570 0.201 0.000 2.494 586 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 586 I C 0.228 176.453 176.117 0.180 0.000 1.106 586 I CA 0.030 61.419 61.300 0.147 0.000 1.369 586 I CB -0.022 38.003 38.000 0.041 0.000 1.410 586 I HN 0.096 nan 8.210 nan 0.000 0.523 587 H N 6.021 125.087 119.070 -0.006 0.000 2.547 587 H HA 0.636 5.191 4.556 -0.000 0.000 0.342 587 H C -0.851 174.460 175.328 -0.030 0.000 1.048 587 H CA -0.555 55.487 56.048 -0.011 0.000 1.204 587 H CB 1.933 31.701 29.762 0.011 0.000 1.493 587 H HN 0.374 nan 8.280 nan 0.000 0.511 588 L N 2.385 123.587 121.223 -0.034 0.000 2.401 588 L HA 0.480 4.820 4.340 -0.000 0.000 0.266 588 L C -1.224 175.593 176.870 -0.088 0.000 0.991 588 L CA -0.346 54.459 54.840 -0.059 0.000 0.818 588 L CB 1.984 43.977 42.059 -0.111 0.000 1.321 588 L HN 0.660 nan 8.230 nan 0.000 0.413 589 Q N 3.513 123.283 119.800 -0.049 0.000 2.289 589 Q HA 0.476 4.816 4.340 -0.000 0.000 0.270 589 Q C -0.652 175.338 176.000 -0.018 0.000 1.038 589 Q CA -0.596 55.190 55.803 -0.029 0.000 0.812 589 Q CB 3.355 32.178 28.738 0.142 0.000 1.300 589 Q HN 0.678 nan 8.270 nan 0.000 0.427 590 R N 1.565 121.981 120.500 -0.140 0.000 1.895 590 R HA 0.434 4.774 4.340 -0.000 0.000 0.129 590 R C -0.936 175.470 176.300 0.177 0.000 2.021 590 R CA 0.138 56.211 56.100 -0.046 0.000 1.709 590 R CB 0.864 31.070 30.300 -0.156 0.000 1.397 590 R HN 0.573 nan 8.270 nan 0.000 0.484 591 F N 1.589 121.556 119.950 0.028 0.000 2.178 591 F HA -0.174 4.353 4.527 -0.000 0.000 0.521 591 F C 0.076 175.897 175.800 0.035 0.000 1.287 591 F CA 0.081 58.117 58.000 0.059 0.000 1.669 591 F CB -0.838 38.197 39.000 0.058 0.000 2.664 591 F HN 0.459 nan 8.300 nan 0.000 0.726 592 D N 1.559 122.039 120.400 0.134 0.000 2.107 592 D HA 0.000 4.640 4.640 -0.000 0.000 0.204 592 D C 1.439 177.799 176.300 0.101 0.000 0.978 592 D CA 1.878 55.932 54.000 0.091 0.000 0.852 592 D CB 0.325 41.153 40.800 0.047 0.000 1.008 592 D HN 0.763 nan 8.370 nan 0.000 0.458 593 E N -1.008 119.253 120.200 0.103 0.000 3.688 593 E HA 0.183 4.533 4.350 -0.000 0.000 0.217 593 E C 1.401 178.060 176.600 0.099 0.000 1.289 593 E CA 0.079 56.531 56.400 0.086 0.000 1.408 593 E CB -0.159 29.573 29.700 0.053 0.000 2.370 593 E HN 0.063 nan 8.360 nan 0.000 0.584 594 G N 2.418 111.265 108.800 0.078 0.000 3.295 594 G HA2 0.012 3.971 3.960 -0.000 0.000 0.231 594 G HA3 0.012 3.971 3.960 -0.000 0.000 0.231 594 G C 0.127 175.088 174.900 0.101 0.000 1.277 594 G CA 0.183 45.327 45.100 0.073 0.000 1.013 594 G HN 0.023 nan 8.290 nan 0.000 0.509 595 T N 1.004 115.657 114.554 0.165 0.000 2.930 595 T HA 0.381 4.731 4.350 -0.000 0.000 0.306 595 T C 0.911 175.795 174.700 0.307 0.000 1.045 595 T CA 0.744 62.977 62.100 0.222 0.000 1.134 595 T CB 1.077 70.128 68.868 0.304 0.000 0.961 595 T HN 0.324 nan 8.240 nan 0.000 0.545 596 T N -0.015 114.660 114.554 0.202 0.000 4.314 596 T HA 0.337 4.687 4.350 -0.000 0.000 0.234 596 T C 0.683 175.434 174.700 0.085 0.000 0.954 596 T CA -0.690 61.528 62.100 0.196 0.000 1.329 596 T CB -0.666 68.244 68.868 0.071 0.000 0.883 596 T HN 0.393 nan 8.240 nan 0.000 0.577 597 L N -1.101 120.203 121.223 0.135 0.000 5.421 597 L HA -0.209 4.131 4.340 -0.000 0.000 0.441 597 L C 0.965 177.574 176.870 -0.435 0.000 0.969 597 L CA 2.010 56.825 54.840 -0.042 0.000 1.224 597 L CB -1.233 40.884 42.059 0.096 0.000 1.556 597 L HN 0.643 nan 8.230 nan 0.000 0.674 598 L N 0.298 121.283 121.223 -0.398 0.000 3.431 598 L HA 0.341 4.680 4.340 -0.000 0.000 0.316 598 L C 0.810 177.463 176.870 -0.362 0.000 1.305 598 L CA 0.173 54.775 54.840 -0.396 0.000 0.995 598 L CB 0.436 42.386 42.059 -0.182 0.000 1.411 598 L HN 0.311 nan 8.230 nan 0.000 0.610 599 S N 0.194 115.610 115.700 -0.474 0.000 3.129 599 S HA -0.056 4.413 4.470 -0.000 0.000 0.371 599 S C -1.353 173.168 174.600 -0.131 0.000 1.196 599 S CA -0.339 57.737 58.200 -0.207 0.000 0.989 599 S CB -0.022 63.135 63.200 -0.071 0.000 0.695 599 S HN 0.385 nan 8.310 nan 0.000 0.499 600 P HA -0.032 nan 4.420 nan 0.000 0.211 600 P C 0.590 177.887 177.300 -0.005 0.000 1.188 600 P CA 0.996 64.078 63.100 -0.030 0.000 0.904 600 P CB -0.018 31.674 31.700 -0.013 0.000 0.765 601 K N 0.104 120.511 120.400 0.011 0.000 2.665 601 K HA -0.032 4.288 4.320 -0.000 0.000 0.196 601 K C 0.006 176.624 176.600 0.031 0.000 1.021 601 K CA 0.376 56.676 56.287 0.022 0.000 1.066 601 K CB -0.792 31.722 32.500 0.024 0.000 0.849 601 K HN 0.075 nan 8.250 nan 0.000 0.500 602 D N 0.684 121.108 120.400 0.041 0.000 2.981 602 D HA -0.148 4.492 4.640 -0.000 0.000 0.223 602 D C -0.597 175.755 176.300 0.085 0.000 1.151 602 D CA 0.707 54.755 54.000 0.080 0.000 0.827 602 D CB -1.384 39.444 40.800 0.047 0.000 1.101 602 D HN 0.359 nan 8.370 nan 0.000 0.426 603 N N 0.233 118.980 118.700 0.078 0.000 2.207 603 N HA 0.368 5.107 4.740 -0.000 0.000 0.223 603 N C 1.346 176.895 175.510 0.066 0.000 1.339 603 N CA 1.075 54.162 53.050 0.062 0.000 0.889 603 N CB -0.032 38.497 38.487 0.071 0.000 1.128 603 N HN 0.348 nan 8.380 nan 0.000 0.456 604 G N -1.082 107.714 108.800 -0.006 0.000 2.681 604 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.320 604 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.320 604 G C -0.495 174.248 174.900 -0.262 0.000 1.339 604 G CA 0.582 45.599 45.100 -0.138 0.000 0.916 604 G HN 0.703 nan 8.290 nan 0.000 0.559 605 M N -1.013 118.304 119.600 -0.471 0.000 2.322 605 M HA 0.709 5.189 4.480 -0.000 0.000 0.285 605 M C -1.695 174.162 176.300 -0.738 0.000 1.119 605 M CA -0.840 54.122 55.300 -0.563 0.000 0.953 605 M CB 1.960 34.376 32.600 -0.308 0.000 1.701 605 M HN 1.494 nan 8.290 nan 0.000 0.479 606 L N 6.634 127.303 121.223 -0.923 0.000 2.446 606 L HA 0.794 5.134 4.340 -0.000 0.000 0.268 606 L C -2.190 174.432 176.870 -0.413 0.000 0.975 606 L CA -0.184 54.245 54.840 -0.685 0.000 0.848 606 L CB 1.402 42.935 42.059 -0.876 0.000 1.225 606 L HN 0.794 nan 8.230 nan 0.000 0.410 607 I N 5.810 126.207 120.570 -0.288 0.000 2.509 607 I HA 0.553 4.723 4.170 -0.000 0.000 0.293 607 I C -0.679 175.246 176.117 -0.319 0.000 1.020 607 I CA -0.602 60.553 61.300 -0.241 0.000 1.088 607 I CB 2.162 40.047 38.000 -0.193 0.000 1.267 607 I HN 0.507 nan 8.210 nan 0.000 0.430 608 I N 4.020 124.396 120.570 -0.323 0.000 2.619 608 I HA 0.214 4.384 4.170 -0.000 0.000 0.292 608 I C -0.028 175.913 176.117 -0.295 0.000 1.100 608 I CA -0.353 60.615 61.300 -0.553 0.000 1.043 608 I CB 1.971 39.756 38.000 -0.358 0.000 1.239 608 I HN 0.685 nan 8.210 nan 0.000 0.420 609 D N 4.248 124.506 120.400 -0.236 0.000 2.997 609 D HA -0.221 4.419 4.640 -0.000 0.000 0.226 609 D C 0.830 177.139 176.300 0.015 0.000 1.189 609 D CA 1.976 56.016 54.000 0.067 0.000 0.834 609 D CB -0.562 40.295 40.800 0.095 0.000 1.105 609 D HN 1.183 nan 8.370 nan 0.000 0.415 610 G N -1.277 107.494 108.800 -0.048 0.000 2.141 610 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.195 610 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.195 610 G C -0.403 174.472 174.900 -0.042 0.000 1.012 610 G CA 0.170 45.251 45.100 -0.031 0.000 0.696 610 G HN 0.427 nan 8.290 nan 0.000 0.508 611 Q N -0.306 119.451 119.800 -0.072 0.000 2.323 611 Q HA 0.499 4.838 4.340 -0.000 0.000 0.271 611 Q C 0.203 176.148 176.000 -0.092 0.000 1.048 611 Q CA -0.816 54.952 55.803 -0.059 0.000 0.792 611 Q CB 1.943 30.664 28.738 -0.029 0.000 1.280 611 Q HN 0.401 nan 8.270 nan 0.000 0.441 612 I N 3.688 124.203 120.570 -0.092 0.000 2.578 612 I HA -0.028 4.142 4.170 -0.000 0.000 0.286 612 I C 1.318 177.382 176.117 -0.087 0.000 1.126 612 I CA 0.299 61.527 61.300 -0.120 0.000 1.380 612 I CB 0.311 38.237 38.000 -0.123 0.000 1.408 612 I HN 0.604 nan 8.210 nan 0.000 0.532 613 I N 7.268 127.779 120.570 -0.099 0.000 2.703 613 I HA 0.019 4.189 4.170 -0.000 0.000 0.259 613 I C 0.204 176.410 176.117 0.147 0.000 1.151 613 I CA 0.627 61.934 61.300 0.011 0.000 1.470 613 I CB 0.043 38.069 38.000 0.043 0.000 1.112 613 I HN 0.558 nan 8.210 nan 0.000 0.437 614 F N -0.435 119.455 119.950 -0.101 0.000 2.793 614 F HA 0.604 5.131 4.527 -0.000 0.000 0.316 614 F C -0.629 175.099 175.800 -0.119 0.000 1.147 614 F CA -0.746 57.192 58.000 -0.103 0.000 0.930 614 F CB 0.109 39.054 39.000 -0.093 0.000 1.277 614 F HN -0.004 nan 8.300 nan 0.000 0.443 615 G N 1.209 110.130 108.800 0.200 0.000 2.785 615 G HA2 0.288 4.248 3.960 -0.000 0.000 0.686 615 G HA3 0.288 4.248 3.960 -0.000 0.000 0.686 615 G C -0.968 173.896 174.900 -0.059 0.000 1.155 615 G CA -0.629 44.503 45.100 0.052 0.000 0.760 615 G HN 1.494 nan 8.290 nan 0.000 0.624 616 V N 0.709 120.596 119.914 -0.045 0.000 3.611 616 V HA 0.503 4.623 4.120 -0.000 0.000 0.296 616 V C 1.192 177.226 176.094 -0.099 0.000 1.091 616 V CA -0.140 62.118 62.300 -0.071 0.000 1.103 616 V CB 1.314 33.108 31.823 -0.049 0.000 1.157 616 V HN 1.137 nan 8.190 nan 0.000 0.471 617 V N 1.652 121.504 119.914 -0.103 0.000 2.525 617 V HA 0.703 4.823 4.120 -0.000 0.000 0.299 617 V C -0.555 175.486 176.094 -0.088 0.000 1.034 617 V CA -0.338 61.897 62.300 -0.108 0.000 0.863 617 V CB 1.471 33.219 31.823 -0.126 0.000 0.999 617 V HN 1.175 nan 8.190 nan 0.000 0.423 618 E N 2.480 122.637 120.200 -0.073 0.000 2.415 618 E HA 0.381 4.730 4.350 -0.000 0.000 0.271 618 E C 0.538 177.112 176.600 -0.042 0.000 1.094 618 E CA -0.892 55.474 56.400 -0.055 0.000 0.881 618 E CB 0.627 30.301 29.700 -0.043 0.000 1.581 618 E HN 0.154 nan 8.360 nan 0.000 0.460 619 K N 0.169 120.553 120.400 -0.027 0.000 2.248 619 K HA -0.357 3.962 4.320 -0.000 0.000 0.208 619 K C 1.282 177.875 176.600 -0.013 0.000 1.044 619 K CA 2.502 58.781 56.287 -0.014 0.000 0.933 619 K CB -0.195 32.304 32.500 -0.002 0.000 0.723 619 K HN 0.437 nan 8.250 nan 0.000 0.475 620 K N -1.039 119.349 120.400 -0.019 0.000 2.097 620 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 620 K C 2.048 178.629 176.600 -0.030 0.000 1.050 620 K CA 1.887 58.163 56.287 -0.019 0.000 0.938 620 K CB 0.023 32.509 32.500 -0.023 0.000 0.718 620 K HN 0.238 nan 8.250 nan 0.000 0.442 621 T N -0.036 114.489 114.554 -0.050 0.000 2.904 621 T HA -0.045 4.305 4.350 -0.000 0.000 0.243 621 T C 1.885 176.546 174.700 -0.065 0.000 1.024 621 T CA 0.808 62.867 62.100 -0.067 0.000 1.158 621 T CB -0.215 68.595 68.868 -0.096 0.000 0.867 621 T HN 0.065 nan 8.240 nan 0.000 0.429 622 V N 1.785 121.657 119.914 -0.070 0.000 2.951 622 V HA 0.322 4.442 4.120 -0.000 0.000 0.255 622 V C 1.388 177.450 176.094 -0.054 0.000 1.088 622 V CA 0.920 63.171 62.300 -0.082 0.000 1.109 622 V CB -1.138 30.634 31.823 -0.086 0.000 0.724 622 V HN 0.490 nan 8.190 nan 0.000 0.471 623 G N 0.424 109.210 108.800 -0.024 0.000 2.597 623 G HA2 0.010 3.970 3.960 -0.000 0.000 0.283 623 G HA3 0.010 3.970 3.960 -0.000 0.000 0.283 623 G C 0.928 175.842 174.900 0.024 0.000 1.319 623 G CA 0.423 45.527 45.100 0.006 0.000 1.054 623 G HN 0.871 nan 8.290 nan 0.000 0.583 624 S N -0.956 114.770 115.700 0.043 0.000 2.754 624 S HA 0.166 4.636 4.470 -0.000 0.000 0.223 624 S C 1.282 175.918 174.600 0.060 0.000 0.951 624 S CA 0.346 58.580 58.200 0.056 0.000 0.954 624 S CB -0.897 62.335 63.200 0.053 0.000 0.780 624 S HN 1.070 nan 8.310 nan 0.000 0.509 625 S N 1.628 117.360 115.700 0.054 0.000 2.586 625 S HA 0.014 4.483 4.470 -0.000 0.000 0.256 625 S C 1.096 175.764 174.600 0.113 0.000 1.392 625 S CA -0.145 58.093 58.200 0.063 0.000 0.983 625 S CB 0.152 63.373 63.200 0.036 0.000 0.897 625 S HN 0.472 nan 8.310 nan 0.000 0.566 626 N N 1.064 119.833 118.700 0.114 0.000 2.197 626 N HA -0.023 4.717 4.740 -0.000 0.000 0.184 626 N C 1.608 177.180 175.510 0.103 0.000 1.030 626 N CA 1.236 54.390 53.050 0.174 0.000 0.851 626 N CB -0.738 37.815 38.487 0.110 0.000 1.003 626 N HN 0.833 nan 8.380 nan 0.000 0.430 627 G N 0.150 108.958 108.800 0.014 0.000 3.262 627 G HA2 0.206 4.166 3.960 -0.000 0.000 0.228 627 G HA3 0.206 4.166 3.960 -0.000 0.000 0.228 627 G C 0.539 175.427 174.900 -0.020 0.000 1.197 627 G CA -0.063 45.005 45.100 -0.054 0.000 0.819 627 G HN 0.351 nan 8.290 nan 0.000 0.531 628 G N 0.221 109.047 108.800 0.044 0.000 2.349 628 G HA2 0.062 4.022 3.960 -0.000 0.000 0.232 628 G HA3 0.062 4.022 3.960 -0.000 0.000 0.232 628 G C 1.090 175.998 174.900 0.012 0.000 1.240 628 G CA -0.412 44.708 45.100 0.035 0.000 0.870 628 G HN 0.194 nan 8.290 nan 0.000 0.528 629 L N 3.283 124.485 121.223 -0.036 0.000 2.043 629 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 629 L C 2.353 179.192 176.870 -0.051 0.000 1.075 629 L CA 2.000 56.805 54.840 -0.057 0.000 0.752 629 L CB -0.688 41.315 42.059 -0.092 0.000 0.891 629 L HN 0.747 nan 8.230 nan 0.000 0.432 630 I N -0.645 119.884 120.570 -0.069 0.000 2.142 630 I HA -0.355 3.815 4.170 -0.000 0.000 0.240 630 I C 2.683 178.815 176.117 0.026 0.000 1.078 630 I CA 1.487 62.729 61.300 -0.098 0.000 1.343 630 I CB -0.408 37.505 38.000 -0.144 0.000 1.046 630 I HN 0.423 nan 8.210 nan 0.000 0.405 631 H N 0.617 119.666 119.070 -0.034 0.000 2.352 631 H HA -0.136 4.420 4.556 -0.000 0.000 0.299 631 H C 2.082 177.401 175.328 -0.016 0.000 1.097 631 H CA 2.245 58.288 56.048 -0.009 0.000 1.311 631 H CB -0.403 29.362 29.762 0.004 0.000 1.377 631 H HN 0.255 nan 8.280 nan 0.000 0.504 632 V N 0.103 120.098 119.914 0.135 0.000 2.229 632 V HA -0.234 3.885 4.120 -0.000 0.000 0.243 632 V C 2.968 179.094 176.094 0.054 0.000 1.042 632 V CA 1.516 63.846 62.300 0.050 0.000 1.000 632 V CB -1.017 30.808 31.823 0.003 0.000 0.637 632 V HN 0.229 nan 8.190 nan 0.000 0.446 633 V N 0.542 120.471 119.914 0.026 0.000 2.236 633 V HA -0.398 3.721 4.120 -0.000 0.000 0.255 633 V C 2.583 178.693 176.094 0.027 0.000 1.068 633 V CA 2.951 65.259 62.300 0.012 0.000 1.044 633 V CB -1.581 30.226 31.823 -0.027 0.000 0.653 633 V HN 0.701 nan 8.190 nan 0.000 0.448 634 T N -0.229 114.348 114.554 0.038 0.000 2.597 634 T HA -0.277 4.073 4.350 -0.000 0.000 0.267 634 T C 2.004 176.717 174.700 0.022 0.000 1.053 634 T CA 1.824 63.944 62.100 0.034 0.000 1.165 634 T CB -0.338 68.547 68.868 0.028 0.000 0.863 634 T HN 0.307 nan 8.240 nan 0.000 0.427 635 R N 0.775 121.302 120.500 0.046 0.000 2.109 635 R HA -0.078 4.262 4.340 -0.000 0.000 0.227 635 R C 2.557 178.856 176.300 -0.002 0.000 1.132 635 R CA 1.735 57.841 56.100 0.011 0.000 0.907 635 R CB -0.928 29.399 30.300 0.045 0.000 0.825 635 R HN 0.372 nan 8.270 nan 0.000 0.432 636 E N 0.330 120.538 120.200 0.013 0.000 2.219 636 E HA -0.177 4.172 4.350 -0.000 0.000 0.198 636 E C 1.480 178.094 176.600 0.022 0.000 0.998 636 E CA 1.533 57.942 56.400 0.016 0.000 0.818 636 E CB 0.238 29.955 29.700 0.028 0.000 0.741 636 E HN 0.065 nan 8.360 nan 0.000 0.477 637 K N -2.108 118.305 120.400 0.021 0.000 2.354 637 K HA 0.382 4.702 4.320 -0.000 0.000 0.210 637 K C 0.550 177.160 176.600 0.018 0.000 1.184 637 K CA 1.046 57.347 56.287 0.023 0.000 0.880 637 K CB 1.036 33.552 32.500 0.026 0.000 1.328 637 K HN 0.071 nan 8.250 nan 0.000 0.466 638 G N 0.950 109.759 108.800 0.015 0.000 2.358 638 G HA2 0.114 4.074 3.960 -0.000 0.000 0.301 638 G HA3 0.114 4.074 3.960 -0.000 0.000 0.301 638 G C -2.655 172.255 174.900 0.017 0.000 1.539 638 G CA -0.607 44.500 45.100 0.012 0.000 0.893 638 G HN -0.215 nan 8.290 nan 0.000 0.636 639 P HA -0.146 nan 4.420 nan 0.000 0.217 639 P C 1.260 178.581 177.300 0.036 0.000 1.150 639 P CA 1.232 64.343 63.100 0.019 0.000 0.832 639 P CB 0.293 31.995 31.700 0.005 0.000 0.787 640 Q N -0.082 119.734 119.800 0.028 0.000 2.020 640 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 640 Q C 2.488 178.516 176.000 0.046 0.000 0.982 640 Q CA 1.158 56.980 55.803 0.033 0.000 0.838 640 Q CB -1.345 27.406 28.738 0.022 0.000 0.899 640 Q HN 0.156 nan 8.270 nan 0.000 0.423 641 V N 0.914 120.852 119.914 0.040 0.000 2.219 641 V HA -0.347 3.773 4.120 -0.000 0.000 0.248 641 V C 2.609 178.736 176.094 0.055 0.000 1.053 641 V CA 2.049 64.373 62.300 0.041 0.000 1.009 641 V CB -1.048 30.794 31.823 0.031 0.000 0.636 641 V HN 0.532 nan 8.190 nan 0.000 0.445 642 C N 0.265 119.600 119.300 0.059 0.000 2.413 642 C HA -0.149 4.311 4.460 -0.000 0.000 0.276 642 C C 3.087 178.195 174.990 0.196 0.000 1.248 642 C CA 0.880 59.941 59.018 0.072 0.000 1.742 642 C CB -1.430 26.353 27.740 0.072 0.000 2.017 642 C HN 0.625 nan 8.230 nan 0.000 0.481 643 A N 0.698 123.640 122.820 0.203 0.000 1.869 643 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 643 A C 2.246 179.982 177.584 0.255 0.000 1.203 643 A CA 2.515 54.693 52.037 0.236 0.000 0.638 643 A CB -1.025 18.032 19.000 0.094 0.000 0.831 643 A HN 0.789 nan 8.150 nan 0.000 0.450 644 K N -0.726 119.761 120.400 0.146 0.000 2.280 644 K HA -0.123 4.197 4.320 -0.000 0.000 0.202 644 K C 1.768 178.449 176.600 0.136 0.000 1.047 644 K CA 1.300 57.659 56.287 0.120 0.000 0.942 644 K CB -0.306 32.238 32.500 0.072 0.000 0.739 644 K HN 0.339 nan 8.250 nan 0.000 0.457 645 L N 0.685 121.980 121.223 0.120 0.000 2.012 645 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 645 L C 1.627 178.527 176.870 0.051 0.000 1.073 645 L CA 1.775 56.636 54.840 0.034 0.000 0.748 645 L CB -0.716 41.295 42.059 -0.079 0.000 0.891 645 L HN 0.177 nan 8.230 nan 0.000 0.431 646 F N 0.247 120.210 119.950 0.022 0.000 2.115 646 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 646 F C 2.459 178.284 175.800 0.042 0.000 1.092 646 F CA 1.637 59.653 58.000 0.027 0.000 1.245 646 F CB -1.494 37.520 39.000 0.024 0.000 0.995 646 F HN 0.239 nan 8.300 nan 0.000 0.481 647 G N 0.226 109.177 108.800 0.252 0.000 2.511 647 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.216 647 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.216 647 G C 1.627 176.613 174.900 0.143 0.000 1.218 647 G CA 1.207 46.405 45.100 0.163 0.000 0.788 647 G HN 0.281 nan 8.290 nan 0.000 0.560 648 N N 1.187 119.956 118.700 0.115 0.000 2.013 648 N HA -0.126 4.614 4.740 -0.000 0.000 0.195 648 N C 2.320 177.893 175.510 0.106 0.000 1.051 648 N CA 1.485 54.600 53.050 0.109 0.000 0.851 648 N CB -0.681 37.854 38.487 0.079 0.000 1.044 648 N HN 0.403 nan 8.380 nan 0.000 0.422 649 I N 1.487 122.094 120.570 0.062 0.000 2.091 649 I HA -0.372 3.798 4.170 -0.000 0.000 0.240 649 I C 2.620 178.783 176.117 0.077 0.000 1.046 649 I CA 1.545 62.865 61.300 0.033 0.000 1.306 649 I CB -0.607 37.381 38.000 -0.020 0.000 1.018 649 I HN 0.220 nan 8.210 nan 0.000 0.404 650 Q N 1.079 120.950 119.800 0.119 0.000 1.927 650 Q HA -0.270 4.070 4.340 -0.000 0.000 0.210 650 Q C 2.275 178.380 176.000 0.175 0.000 1.001 650 Q CA 2.190 58.080 55.803 0.146 0.000 0.862 650 Q CB -0.135 28.708 28.738 0.175 0.000 0.934 650 Q HN 0.412 nan 8.270 nan 0.000 0.420 651 K N -0.345 120.202 120.400 0.245 0.000 2.144 651 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 651 K C 2.018 178.788 176.600 0.283 0.000 1.047 651 K CA 1.711 58.243 56.287 0.409 0.000 0.927 651 K CB -0.296 32.541 32.500 0.563 0.000 0.716 651 K HN 0.088 nan 8.250 nan 0.000 0.454 652 V N 0.717 120.758 119.914 0.212 0.000 2.232 652 V HA -0.213 3.907 4.120 -0.000 0.000 0.239 652 V C 2.306 178.468 176.094 0.114 0.000 1.040 652 V CA 1.484 63.874 62.300 0.150 0.000 0.996 652 V CB -0.431 31.440 31.823 0.081 0.000 0.638 652 V HN 0.056 nan 8.190 nan 0.000 0.453 653 V N 0.900 120.857 119.914 0.072 0.000 2.231 653 V HA -0.329 3.791 4.120 -0.000 0.000 0.250 653 V C 2.406 178.588 176.094 0.147 0.000 1.058 653 V CA 2.448 64.794 62.300 0.078 0.000 1.022 653 V CB -1.066 30.770 31.823 0.021 0.000 0.640 653 V HN 0.574 nan 8.190 nan 0.000 0.445 654 N N -0.260 118.510 118.700 0.117 0.000 2.049 654 N HA -0.249 4.491 4.740 -0.000 0.000 0.198 654 N C 1.705 177.265 175.510 0.084 0.000 1.030 654 N CA 2.202 55.316 53.050 0.107 0.000 0.870 654 N CB -0.638 37.923 38.487 0.123 0.000 1.045 654 N HN 0.552 nan 8.380 nan 0.000 0.434 655 F N 0.266 120.101 119.950 -0.192 0.000 2.102 655 F HA -0.143 4.383 4.527 -0.000 0.000 0.298 655 F C 2.378 178.103 175.800 -0.126 0.000 1.105 655 F CA 1.184 58.958 58.000 -0.377 0.000 1.239 655 F CB -1.025 37.405 39.000 -0.950 0.000 0.991 655 F HN 0.177 nan 8.300 nan 0.000 0.474 656 W N 0.848 121.862 121.300 -0.477 0.000 2.335 656 W HA -0.252 4.408 4.660 -0.000 0.000 0.311 656 W C 2.194 178.563 176.519 -0.251 0.000 1.213 656 W CA 2.208 59.259 57.345 -0.490 0.000 1.274 656 W CB -0.715 28.571 29.460 -0.290 0.000 1.148 656 W HN 0.169 nan 8.180 nan 0.000 0.498 657 L N 0.967 122.237 121.223 0.079 0.000 2.079 657 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 657 L C 2.458 179.227 176.870 -0.168 0.000 1.081 657 L CA 2.205 57.018 54.840 -0.045 0.000 0.752 657 L CB -1.589 40.537 42.059 0.112 0.000 0.896 657 L HN 0.241 nan 8.230 nan 0.000 0.433 658 L N -0.867 120.296 121.223 -0.099 0.000 2.064 658 L HA -0.323 4.017 4.340 -0.000 0.000 0.216 658 L C 2.179 178.893 176.870 -0.259 0.000 1.077 658 L CA 2.323 57.097 54.840 -0.111 0.000 0.766 658 L CB -0.765 41.282 42.059 -0.019 0.000 0.890 658 L HN 0.491 nan 8.230 nan 0.000 0.435 659 H N -2.003 116.822 119.070 -0.408 0.000 2.361 659 H HA 0.087 4.643 4.556 -0.000 0.000 0.308 659 H C 2.074 177.140 175.328 -0.437 0.000 1.053 659 H CA 1.046 56.854 56.048 -0.399 0.000 1.377 659 H CB -0.586 28.899 29.762 -0.463 0.000 1.434 659 H HN 0.337 nan 8.280 nan 0.000 0.548 660 N N 0.874 119.222 118.700 -0.587 0.000 2.184 660 N HA -0.107 4.632 4.740 -0.000 0.000 0.190 660 N C 0.672 176.034 175.510 -0.247 0.000 1.011 660 N CA 1.333 54.043 53.050 -0.567 0.000 0.867 660 N CB -0.115 37.700 38.487 -1.120 0.000 0.993 660 N HN 0.578 nan 8.380 nan 0.000 0.433 661 G N -1.647 107.041 108.800 -0.186 0.000 2.828 661 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.463 661 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.463 661 G C -0.707 174.277 174.900 0.140 0.000 1.394 661 G CA -0.105 44.969 45.100 -0.042 0.000 0.862 661 G HN 0.552 nan 8.290 nan 0.000 0.540 662 F N -0.473 119.447 119.950 -0.051 0.000 2.804 662 F HA 0.606 5.133 4.527 -0.000 0.000 0.320 662 F C -0.087 175.707 175.800 -0.010 0.000 1.135 662 F CA 0.749 58.740 58.000 -0.016 0.000 0.947 662 F CB 1.159 40.164 39.000 0.008 0.000 1.260 662 F HN 1.709 nan 8.300 nan 0.000 0.447 663 S N 1.281 116.468 115.700 -0.855 0.000 2.680 663 S HA 0.846 5.316 4.470 -0.000 0.000 0.276 663 S C -1.800 172.503 174.600 -0.496 0.000 1.189 663 S CA -0.014 57.931 58.200 -0.425 0.000 0.909 663 S CB 1.567 64.633 63.200 -0.223 0.000 1.227 663 S HN 0.915 nan 8.310 nan 0.000 0.501 664 T N 0.244 114.668 114.554 -0.216 0.000 2.942 664 T HA 0.728 5.077 4.350 -0.000 0.000 0.327 664 T C -0.846 173.804 174.700 -0.084 0.000 1.360 664 T CA -0.042 61.977 62.100 -0.135 0.000 1.055 664 T CB 1.527 70.368 68.868 -0.044 0.000 1.261 664 T HN 1.465 nan 8.240 nan 0.000 0.485 665 G N 1.876 110.638 108.800 -0.063 0.000 1.984 665 G HA2 0.456 4.416 3.960 -0.000 0.000 0.313 665 G HA3 0.456 4.416 3.960 -0.000 0.000 0.313 665 G C 0.559 175.441 174.900 -0.029 0.000 1.632 665 G CA -0.161 44.913 45.100 -0.043 0.000 0.963 665 G HN 0.951 nan 8.290 nan 0.000 0.595 666 I N 0.981 121.541 120.570 -0.016 0.000 3.462 666 I HA -0.388 3.782 4.170 -0.000 0.000 0.191 666 I C 2.380 178.494 176.117 -0.005 0.000 0.673 666 I CA 2.799 64.096 61.300 -0.006 0.000 1.169 666 I CB -1.401 36.596 38.000 -0.005 0.000 0.963 666 I HN 0.926 nan 8.210 nan 0.000 0.307 667 G N -0.135 108.657 108.800 -0.013 0.000 2.485 667 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 667 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 667 G C 1.270 176.165 174.900 -0.008 0.000 1.115 667 G CA 1.255 46.348 45.100 -0.012 0.000 0.751 667 G HN 0.668 nan 8.290 nan 0.000 0.567 668 D N -0.162 120.232 120.400 -0.012 0.000 2.317 668 D HA -0.051 4.589 4.640 -0.000 0.000 0.211 668 D C 2.616 178.925 176.300 0.015 0.000 0.966 668 D CA 1.465 55.464 54.000 -0.002 0.000 0.876 668 D CB 0.080 40.873 40.800 -0.012 0.000 0.927 668 D HN 0.522 nan 8.370 nan 0.000 0.519 669 T N -1.591 112.973 114.554 0.016 0.000 3.044 669 T HA 0.164 4.513 4.350 -0.000 0.000 0.250 669 T C 1.186 175.901 174.700 0.026 0.000 1.081 669 T CA -0.191 61.925 62.100 0.027 0.000 1.040 669 T CB 0.108 68.996 68.868 0.033 0.000 0.962 669 T HN -0.021 nan 8.240 nan 0.000 0.506 670 I N 2.709 123.291 120.570 0.019 0.000 2.322 670 I HA 0.528 4.698 4.170 -0.000 0.000 0.292 670 I C 0.766 176.895 176.117 0.021 0.000 1.060 670 I CA -1.015 60.297 61.300 0.018 0.000 1.309 670 I CB 0.465 38.473 38.000 0.013 0.000 1.415 670 I HN 0.144 nan 8.210 nan 0.000 0.492 671 A N 4.601 127.435 122.820 0.024 0.000 2.351 671 A HA 0.139 4.459 4.320 -0.000 0.000 0.257 671 A C 0.100 177.698 177.584 0.023 0.000 1.087 671 A CA -0.441 51.612 52.037 0.027 0.000 0.798 671 A CB 0.299 19.318 19.000 0.031 0.000 1.033 671 A HN 0.802 nan 8.150 nan 0.000 0.488 672 D N 1.172 121.586 120.400 0.024 0.000 2.629 672 D HA 0.186 4.826 4.640 -0.000 0.000 0.228 672 D C 1.556 177.867 176.300 0.020 0.000 1.127 672 D CA 1.398 55.411 54.000 0.021 0.000 0.855 672 D CB 0.554 41.367 40.800 0.022 0.000 1.180 672 D HN 0.588 nan 8.370 nan 0.000 0.484 673 G N 4.142 112.952 108.800 0.017 0.000 2.812 673 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.218 673 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.218 673 G C -0.604 174.306 174.900 0.017 0.000 1.287 673 G CA 1.292 46.401 45.100 0.016 0.000 0.796 673 G HN 0.710 nan 8.290 nan 0.000 0.649 674 P HA -0.078 nan 4.420 nan 0.000 0.215 674 P C 1.665 178.978 177.300 0.021 0.000 1.153 674 P CA 2.062 65.173 63.100 0.018 0.000 0.853 674 P CB -0.498 31.212 31.700 0.016 0.000 0.788 675 T N -0.681 113.887 114.554 0.023 0.000 2.996 675 T HA -0.063 4.287 4.350 -0.000 0.000 0.271 675 T C 1.791 176.509 174.700 0.030 0.000 1.126 675 T CA 1.072 63.188 62.100 0.028 0.000 1.103 675 T CB -0.419 68.467 68.868 0.030 0.000 0.870 675 T HN 0.152 nan 8.240 nan 0.000 0.528 676 M N -0.328 119.288 119.600 0.026 0.000 2.556 676 M HA 0.146 4.626 4.480 -0.000 0.000 0.259 676 M C 2.593 178.909 176.300 0.026 0.000 1.175 676 M CA 0.517 55.832 55.300 0.026 0.000 1.202 676 M CB -0.221 32.392 32.600 0.022 0.000 1.298 676 M HN -0.022 nan 8.290 nan 0.000 0.492 677 R N 1.765 122.279 120.500 0.023 0.000 2.096 677 R HA -0.231 4.109 4.340 -0.000 0.000 0.240 677 R C 1.553 177.868 176.300 0.024 0.000 1.139 677 R CA 2.284 58.398 56.100 0.023 0.000 0.952 677 R CB -0.839 29.472 30.300 0.019 0.000 0.854 677 R HN 0.542 nan 8.270 nan 0.000 0.436 678 E N 0.047 120.261 120.200 0.024 0.000 2.273 678 E HA -0.185 4.164 4.350 -0.000 0.000 0.198 678 E C 1.922 178.540 176.600 0.029 0.000 1.002 678 E CA 1.432 57.847 56.400 0.024 0.000 0.828 678 E CB -0.089 29.625 29.700 0.024 0.000 0.747 678 E HN 0.568 nan 8.360 nan 0.000 0.491 679 I N -0.027 120.563 120.570 0.033 0.000 2.429 679 I HA -0.132 4.038 4.170 -0.000 0.000 0.247 679 I C 2.137 178.281 176.117 0.044 0.000 1.099 679 I CA 0.948 62.273 61.300 0.041 0.000 1.422 679 I CB -0.243 37.783 38.000 0.043 0.000 1.112 679 I HN 0.037 nan 8.210 nan 0.000 0.430 680 T N 1.248 115.826 114.554 0.040 0.000 2.918 680 T HA -0.208 4.142 4.350 -0.000 0.000 0.271 680 T C 1.516 176.241 174.700 0.042 0.000 1.104 680 T CA 1.707 63.834 62.100 0.045 0.000 1.114 680 T CB -0.428 68.462 68.868 0.038 0.000 0.855 680 T HN 0.629 nan 8.240 nan 0.000 0.518 681 E N 0.442 120.661 120.200 0.033 0.000 2.201 681 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 681 E C 1.816 178.428 176.600 0.020 0.000 0.957 681 E CA 0.609 57.023 56.400 0.023 0.000 0.858 681 E CB -0.629 29.081 29.700 0.017 0.000 0.816 681 E HN 0.208 nan 8.360 nan 0.000 0.475 682 T N 1.322 115.891 114.554 0.026 0.000 2.946 682 T HA -0.046 4.304 4.350 -0.000 0.000 0.271 682 T C 1.641 176.359 174.700 0.030 0.000 1.104 682 T CA 0.929 63.044 62.100 0.025 0.000 1.114 682 T CB -0.121 68.770 68.868 0.039 0.000 0.867 682 T HN 0.182 nan 8.240 nan 0.000 0.513 683 I N 0.635 121.232 120.570 0.045 0.000 3.284 683 I HA 0.067 4.236 4.170 -0.000 0.000 0.231 683 I C 2.845 178.971 176.117 0.016 0.000 1.041 683 I CA 0.568 61.904 61.300 0.059 0.000 1.478 683 I CB -0.757 37.311 38.000 0.114 0.000 1.340 683 I HN 0.100 nan 8.210 nan 0.000 0.449 684 A N 1.598 124.436 122.820 0.029 0.000 1.969 684 A HA -0.356 3.964 4.320 -0.000 0.000 0.223 684 A C 1.969 179.547 177.584 -0.010 0.000 1.218 684 A CA 2.881 54.927 52.037 0.015 0.000 0.667 684 A CB -1.164 17.850 19.000 0.024 0.000 0.826 684 A HN 0.736 nan 8.150 nan 0.000 0.472 685 E N 0.235 120.425 120.200 -0.017 0.000 2.118 685 E HA 0.016 4.366 4.350 -0.000 0.000 0.195 685 E C 1.774 178.329 176.600 -0.074 0.000 0.992 685 E CA 1.701 58.078 56.400 -0.039 0.000 0.804 685 E CB -0.772 28.906 29.700 -0.037 0.000 0.741 685 E HN 0.567 nan 8.360 nan 0.000 0.458 686 A N 0.944 123.715 122.820 -0.082 0.000 1.970 686 A HA -0.052 4.268 4.320 -0.000 0.000 0.216 686 A C 2.023 179.552 177.584 -0.091 0.000 1.170 686 A CA 1.239 53.201 52.037 -0.125 0.000 0.645 686 A CB -0.304 18.629 19.000 -0.111 0.000 0.816 686 A HN 0.163 nan 8.150 nan 0.000 0.447 687 K N 0.313 120.670 120.400 -0.072 0.000 2.001 687 K HA -0.175 4.144 4.320 -0.000 0.000 0.214 687 K C 1.522 178.120 176.600 -0.003 0.000 1.050 687 K CA 1.925 58.188 56.287 -0.041 0.000 0.934 687 K CB -0.245 32.245 32.500 -0.015 0.000 0.718 687 K HN 0.392 nan 8.250 nan 0.000 0.443 688 K N 0.907 121.300 120.400 -0.011 0.000 2.555 688 K HA -0.083 4.237 4.320 -0.000 0.000 0.193 688 K C 1.634 178.223 176.600 -0.017 0.000 1.032 688 K CA 0.536 56.822 56.287 -0.001 0.000 1.004 688 K CB 0.140 32.637 32.500 -0.004 0.000 0.804 688 K HN 0.092 nan 8.250 nan 0.000 0.496 689 K N 0.408 120.775 120.400 -0.055 0.000 2.352 689 K HA 0.046 4.366 4.320 -0.000 0.000 0.194 689 K C 1.372 177.999 176.600 0.045 0.000 1.038 689 K CA 0.200 56.401 56.287 -0.142 0.000 1.023 689 K CB 0.588 32.844 32.500 -0.406 0.000 0.840 689 K HN -0.080 nan 8.250 nan 0.000 0.519 690 V N 1.117 121.110 119.914 0.131 0.000 2.521 690 V HA -0.132 3.988 4.120 -0.000 0.000 0.239 690 V C 1.978 178.183 176.094 0.185 0.000 1.053 690 V CA 0.858 63.304 62.300 0.244 0.000 1.073 690 V CB -0.119 31.807 31.823 0.170 0.000 0.746 690 V HN 0.320 nan 8.190 nan 0.000 0.476 691 L N 1.062 122.354 121.223 0.114 0.000 2.054 691 L HA -0.280 4.060 4.340 -0.000 0.000 0.220 691 L C 1.771 178.696 176.870 0.090 0.000 1.081 691 L CA 2.598 57.493 54.840 0.092 0.000 0.780 691 L CB -1.020 41.074 42.059 0.058 0.000 0.893 691 L HN 0.374 nan 8.230 nan 0.000 0.438 692 D N -0.223 120.228 120.400 0.086 0.000 2.119 692 D HA -0.171 4.469 4.640 -0.000 0.000 0.199 692 D C 2.181 178.547 176.300 0.111 0.000 0.987 692 D CA 2.086 56.132 54.000 0.077 0.000 0.858 692 D CB -0.739 40.098 40.800 0.062 0.000 1.008 692 D HN 0.214 nan 8.370 nan 0.000 0.450 693 V N 0.853 120.875 119.914 0.180 0.000 2.764 693 V HA -0.275 3.845 4.120 -0.000 0.000 0.261 693 V C 2.114 178.343 176.094 0.226 0.000 1.108 693 V CA 1.918 64.357 62.300 0.231 0.000 1.129 693 V CB -1.041 31.006 31.823 0.373 0.000 0.701 693 V HN 0.259 nan 8.190 nan 0.000 0.495 694 T N -0.290 114.387 114.554 0.206 0.000 2.684 694 T HA -0.115 4.235 4.350 -0.000 0.000 0.253 694 T C 1.906 176.562 174.700 -0.074 0.000 1.057 694 T CA 1.188 63.354 62.100 0.109 0.000 1.162 694 T CB -0.206 68.760 68.868 0.164 0.000 0.868 694 T HN 0.441 nan 8.240 nan 0.000 0.409 695 K N 1.115 121.503 120.400 -0.020 0.000 2.160 695 K HA -0.176 4.143 4.320 -0.000 0.000 0.206 695 K C 2.320 178.886 176.600 -0.056 0.000 1.047 695 K CA 1.318 57.577 56.287 -0.046 0.000 0.930 695 K CB -0.182 32.311 32.500 -0.012 0.000 0.720 695 K HN 0.484 nan 8.250 nan 0.000 0.450 696 E N 0.550 120.737 120.200 -0.022 0.000 2.267 696 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 696 E C 1.394 177.959 176.600 -0.057 0.000 0.998 696 E CA 1.033 57.424 56.400 -0.015 0.000 0.830 696 E CB 0.066 29.784 29.700 0.031 0.000 0.751 696 E HN 0.355 nan 8.360 nan 0.000 0.491 697 A N -0.080 122.661 122.820 -0.131 0.000 2.252 697 A HA 0.100 4.420 4.320 -0.000 0.000 0.213 697 A C 1.555 178.990 177.584 -0.249 0.000 1.188 697 A CA -0.165 51.738 52.037 -0.223 0.000 0.863 697 A CB 0.253 18.994 19.000 -0.431 0.000 0.893 697 A HN 0.196 nan 8.150 nan 0.000 0.495 698 Q N -0.725 118.953 119.800 -0.203 0.000 2.365 698 Q HA 0.283 4.622 4.340 -0.000 0.000 0.203 698 Q C 1.363 177.298 176.000 -0.108 0.000 0.929 698 Q CA 0.489 56.189 55.803 -0.172 0.000 0.948 698 Q CB 0.239 28.893 28.738 -0.140 0.000 1.043 698 Q HN 0.622 nan 8.270 nan 0.000 0.505 699 A N 0.589 123.354 122.820 -0.092 0.000 2.324 699 A HA 0.119 4.438 4.320 -0.000 0.000 0.220 699 A C 0.583 178.134 177.584 -0.055 0.000 1.209 699 A CA 0.232 52.233 52.037 -0.060 0.000 0.918 699 A CB 0.293 19.268 19.000 -0.041 0.000 0.959 699 A HN 0.413 nan 8.150 nan 0.000 0.507 700 N N -1.170 117.488 118.700 -0.070 0.000 2.924 700 N HA -0.114 4.626 4.740 -0.000 0.000 0.246 700 N C -0.741 174.747 175.510 -0.037 0.000 1.120 700 N CA 0.814 53.830 53.050 -0.056 0.000 0.691 700 N CB -1.961 36.500 38.487 -0.045 0.000 1.036 700 N HN 0.408 nan 8.380 nan 0.000 0.557 701 L N -0.327 120.875 121.223 -0.035 0.000 2.556 701 L HA 0.596 4.935 4.340 -0.000 0.000 0.243 701 L C -0.525 176.343 176.870 -0.004 0.000 1.331 701 L CA -0.484 54.347 54.840 -0.015 0.000 0.927 701 L CB 0.570 42.623 42.059 -0.010 0.000 1.219 701 L HN 0.047 nan 8.230 nan 0.000 0.490 702 L N 0.315 121.538 121.223 -0.000 0.000 2.641 702 L HA 0.332 4.672 4.340 -0.000 0.000 0.261 702 L C -0.169 176.715 176.870 0.023 0.000 0.926 702 L CA -0.316 54.535 54.840 0.018 0.000 0.917 702 L CB 2.922 44.994 42.059 0.022 0.000 1.361 702 L HN 0.193 nan 8.230 nan 0.000 0.417 703 T N 2.142 116.715 114.554 0.033 0.000 2.793 703 T HA 0.090 4.440 4.350 -0.000 0.000 0.289 703 T C 0.945 175.671 174.700 0.043 0.000 0.956 703 T CA 0.163 62.285 62.100 0.037 0.000 1.177 703 T CB 0.938 69.830 68.868 0.041 0.000 0.897 703 T HN 0.643 nan 8.240 nan 0.000 0.533 704 A N 4.853 127.698 122.820 0.041 0.000 2.305 704 A HA 0.111 4.431 4.320 -0.000 0.000 0.236 704 A C 0.786 178.403 177.584 0.055 0.000 1.392 704 A CA -0.312 51.751 52.037 0.043 0.000 1.205 704 A CB -0.874 18.145 19.000 0.033 0.000 0.881 704 A HN 0.899 nan 8.150 nan 0.000 0.558 705 K N 1.119 121.558 120.400 0.065 0.000 4.480 705 K HA -0.228 4.092 4.320 -0.000 0.000 0.360 705 K C 0.011 176.678 176.600 0.112 0.000 0.700 705 K CA 0.564 56.901 56.287 0.084 0.000 0.814 705 K CB -0.869 31.671 32.500 0.066 0.000 1.994 705 K HN 0.732 nan 8.250 nan 0.000 0.317 706 H N 1.378 120.459 119.070 0.019 0.000 3.060 706 H HA -0.147 4.408 4.556 -0.000 0.000 0.261 706 H C 1.337 176.675 175.328 0.017 0.000 0.811 706 H CA 2.102 58.160 56.048 0.016 0.000 1.437 706 H CB -0.238 29.534 29.762 0.015 0.000 1.240 706 H HN 0.860 nan 8.280 nan 0.000 0.527 707 G N 4.063 112.669 108.800 -0.324 0.000 2.225 707 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.264 707 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.264 707 G C -0.080 174.762 174.900 -0.096 0.000 1.060 707 G CA 0.327 45.273 45.100 -0.257 0.000 0.833 707 G HN 0.719 nan 8.290 nan 0.000 0.498 708 M N 0.100 119.671 119.600 -0.049 0.000 2.294 708 M HA 0.216 4.696 4.480 -0.000 0.000 0.280 708 M C 0.332 176.635 176.300 0.005 0.000 1.085 708 M CA -0.675 54.617 55.300 -0.013 0.000 0.969 708 M CB 1.942 34.544 32.600 0.003 0.000 1.770 708 M HN 0.096 nan 8.290 nan 0.000 0.485 709 T N 2.033 116.594 114.554 0.011 0.000 2.788 709 T HA 0.051 4.401 4.350 -0.000 0.000 0.333 709 T C 1.337 176.059 174.700 0.037 0.000 1.090 709 T CA -0.168 61.946 62.100 0.022 0.000 1.094 709 T CB 0.455 69.342 68.868 0.031 0.000 0.999 709 T HN 0.438 nan 8.240 nan 0.000 0.549 710 L N 0.791 122.032 121.223 0.029 0.000 2.083 710 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 710 L C 2.624 179.539 176.870 0.075 0.000 1.083 710 L CA 1.566 56.424 54.840 0.030 0.000 0.752 710 L CB -0.849 41.204 42.059 -0.011 0.000 0.899 710 L HN 0.439 nan 8.230 nan 0.000 0.433 711 R N 0.110 120.655 120.500 0.074 0.000 2.075 711 R HA -0.125 4.214 4.340 -0.000 0.000 0.230 711 R C 2.241 178.650 176.300 0.181 0.000 1.140 711 R CA 1.526 57.713 56.100 0.145 0.000 0.928 711 R CB -0.414 29.955 30.300 0.115 0.000 0.834 711 R HN 0.416 nan 8.270 nan 0.000 0.429 712 E N -0.456 119.803 120.200 0.097 0.000 2.013 712 E HA -0.219 4.130 4.350 -0.000 0.000 0.202 712 E C 2.004 178.633 176.600 0.049 0.000 1.018 712 E CA 1.814 58.247 56.400 0.054 0.000 0.834 712 E CB -0.369 29.347 29.700 0.025 0.000 0.770 712 E HN 0.209 nan 8.360 nan 0.000 0.459 713 S N 0.443 116.175 115.700 0.054 0.000 2.444 713 S HA -0.204 4.266 4.470 -0.000 0.000 0.244 713 S C 1.372 176.017 174.600 0.076 0.000 1.025 713 S CA 1.178 59.406 58.200 0.047 0.000 0.995 713 S CB -0.358 62.875 63.200 0.055 0.000 0.781 713 S HN 0.261 nan 8.310 nan 0.000 0.496 714 F N 2.447 122.374 119.950 -0.039 0.000 2.049 714 F HA 0.017 4.544 4.527 -0.000 0.000 0.288 714 F C 2.269 178.028 175.800 -0.068 0.000 1.141 714 F CA 1.320 59.289 58.000 -0.050 0.000 1.165 714 F CB -0.982 37.997 39.000 -0.036 0.000 1.012 714 F HN -0.019 nan 8.300 nan 0.000 0.475 715 E N 0.761 120.645 120.200 -0.526 0.000 2.136 715 E HA -0.347 4.003 4.350 -0.000 0.000 0.208 715 E C 2.072 178.402 176.600 -0.450 0.000 1.035 715 E CA 1.836 57.868 56.400 -0.613 0.000 0.838 715 E CB -1.110 28.448 29.700 -0.237 0.000 0.748 715 E HN 0.629 nan 8.360 nan 0.000 0.459 716 D N 0.745 120.984 120.400 -0.270 0.000 2.154 716 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 716 D C 1.476 177.581 176.300 -0.325 0.000 1.003 716 D CA 1.379 55.248 54.000 -0.219 0.000 0.849 716 D CB -0.158 40.566 40.800 -0.128 0.000 0.942 716 D HN 0.122 nan 8.370 nan 0.000 0.446 717 N N 0.209 118.667 118.700 -0.404 0.000 2.166 717 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 717 N C 2.148 177.025 175.510 -1.055 0.000 1.019 717 N CA 0.997 53.636 53.050 -0.685 0.000 0.856 717 N CB -0.367 37.794 38.487 -0.544 0.000 0.993 717 N HN 0.213 nan 8.380 nan 0.000 0.426 718 V N 1.547 121.010 119.914 -0.752 0.000 2.214 718 V HA -0.236 3.884 4.120 -0.000 0.000 0.244 718 V C 2.595 178.470 176.094 -0.366 0.000 1.045 718 V CA 1.580 63.547 62.300 -0.554 0.000 0.993 718 V CB -1.063 30.425 31.823 -0.558 0.000 0.633 718 V HN 0.005 nan 8.190 nan 0.000 0.449 719 V N -0.043 119.697 119.914 -0.290 0.000 2.226 719 V HA -0.424 3.696 4.120 -0.000 0.000 0.254 719 V C 2.621 178.660 176.094 -0.092 0.000 1.065 719 V CA 2.820 65.030 62.300 -0.148 0.000 1.039 719 V CB -0.908 30.838 31.823 -0.128 0.000 0.653 719 V HN 0.468 nan 8.190 nan 0.000 0.450 720 R N -1.213 119.203 120.500 -0.140 0.000 2.153 720 R HA -0.229 4.111 4.340 -0.000 0.000 0.252 720 R C 2.260 178.632 176.300 0.119 0.000 1.158 720 R CA 2.339 58.415 56.100 -0.041 0.000 0.975 720 R CB -0.511 29.732 30.300 -0.095 0.000 0.871 720 R HN 0.589 nan 8.270 nan 0.000 0.450 721 F N 0.182 120.100 119.950 -0.052 0.000 2.075 721 F HA -0.255 4.271 4.527 -0.000 0.000 0.297 721 F C 2.209 177.963 175.800 -0.076 0.000 1.113 721 F CA 0.361 58.325 58.000 -0.059 0.000 1.218 721 F CB -0.258 38.694 39.000 -0.080 0.000 0.984 721 F HN -0.031 nan 8.300 nan 0.000 0.472 722 L N 0.509 121.777 121.223 0.075 0.000 1.955 722 L HA -0.298 4.042 4.340 -0.000 0.000 0.213 722 L C 2.039 178.982 176.870 0.121 0.000 1.072 722 L CA 1.686 56.474 54.840 -0.086 0.000 0.755 722 L CB -1.381 40.524 42.059 -0.258 0.000 0.888 722 L HN 0.075 nan 8.230 nan 0.000 0.432 723 N N -0.364 118.431 118.700 0.159 0.000 2.094 723 N HA -0.237 4.503 4.740 -0.000 0.000 0.191 723 N C 1.849 177.447 175.510 0.148 0.000 1.023 723 N CA 1.353 54.505 53.050 0.169 0.000 0.857 723 N CB -0.348 38.213 38.487 0.123 0.000 1.013 723 N HN 0.468 nan 8.380 nan 0.000 0.426 724 E N 0.592 120.872 120.200 0.134 0.000 2.065 724 E HA -0.231 4.118 4.350 -0.000 0.000 0.201 724 E C 1.794 178.461 176.600 0.111 0.000 1.016 724 E CA 1.615 58.089 56.400 0.124 0.000 0.818 724 E CB -0.054 29.736 29.700 0.150 0.000 0.749 724 E HN 0.384 nan 8.360 nan 0.000 0.453 725 A N 1.173 124.054 122.820 0.101 0.000 1.821 725 A HA -0.220 4.100 4.320 -0.000 0.000 0.215 725 A C 2.064 179.731 177.584 0.137 0.000 1.216 725 A CA 1.693 53.784 52.037 0.090 0.000 0.615 725 A CB -0.899 18.134 19.000 0.055 0.000 0.862 725 A HN 0.307 nan 8.150 nan 0.000 0.450 726 R N -0.157 120.461 120.500 0.196 0.000 2.311 726 R HA -0.364 3.976 4.340 -0.000 0.000 0.255 726 R C 1.659 178.046 176.300 0.146 0.000 1.101 726 R CA 2.856 59.076 56.100 0.199 0.000 0.948 726 R CB -1.042 29.399 30.300 0.234 0.000 0.943 726 R HN 0.625 nan 8.270 nan 0.000 0.448 727 D N -0.495 120.011 120.400 0.176 0.000 2.087 727 D HA -0.201 4.439 4.640 -0.000 0.000 0.192 727 D C 1.961 178.446 176.300 0.308 0.000 0.993 727 D CA 2.316 56.486 54.000 0.282 0.000 0.828 727 D CB -0.167 40.808 40.800 0.291 0.000 0.968 727 D HN 0.562 nan 8.370 nan 0.000 0.448 728 K N 0.993 121.505 120.400 0.187 0.000 2.032 728 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 728 K C 2.230 178.914 176.600 0.139 0.000 1.048 728 K CA 1.611 57.978 56.287 0.135 0.000 0.927 728 K CB -0.495 32.054 32.500 0.081 0.000 0.712 728 K HN 0.078 nan 8.250 nan 0.000 0.441 729 A N 1.760 124.654 122.820 0.123 0.000 1.940 729 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 729 A C 2.432 180.082 177.584 0.111 0.000 1.190 729 A CA 2.272 54.369 52.037 0.100 0.000 0.647 729 A CB -1.655 17.402 19.000 0.096 0.000 0.821 729 A HN 0.618 nan 8.150 nan 0.000 0.457 730 G N -1.053 107.839 108.800 0.153 0.000 2.679 730 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 730 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 730 G C 1.517 176.588 174.900 0.285 0.000 1.315 730 G CA 0.837 46.043 45.100 0.177 0.000 0.836 730 G HN 0.530 nan 8.290 nan 0.000 0.580 731 R N -0.115 120.674 120.500 0.482 0.000 2.234 731 R HA -0.216 4.124 4.340 -0.000 0.000 0.262 731 R C 2.641 179.023 176.300 0.137 0.000 1.150 731 R CA 1.692 57.942 56.100 0.249 0.000 0.981 731 R CB -0.827 29.488 30.300 0.025 0.000 0.899 731 R HN 0.380 nan 8.270 nan 0.000 0.458 732 L N -0.335 120.957 121.223 0.115 0.000 1.976 732 L HA -0.322 4.018 4.340 -0.000 0.000 0.223 732 L C 2.650 179.564 176.870 0.074 0.000 1.081 732 L CA 1.845 56.730 54.840 0.076 0.000 0.784 732 L CB -0.727 41.372 42.059 0.068 0.000 0.896 732 L HN 0.359 nan 8.230 nan 0.000 0.438 733 A N -0.856 122.014 122.820 0.082 0.000 2.019 733 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 733 A C 2.109 179.743 177.584 0.083 0.000 1.164 733 A CA 1.680 53.759 52.037 0.071 0.000 0.644 733 A CB -0.519 18.518 19.000 0.062 0.000 0.805 733 A HN 0.572 nan 8.150 nan 0.000 0.449 734 E N 0.024 120.296 120.200 0.119 0.000 2.002 734 E HA -0.171 4.179 4.350 -0.000 0.000 0.205 734 E C 1.256 177.907 176.600 0.084 0.000 1.020 734 E CA 2.078 58.555 56.400 0.129 0.000 0.856 734 E CB -0.303 29.510 29.700 0.187 0.000 0.788 734 E HN 0.220 nan 8.360 nan 0.000 0.477 735 V N 2.447 122.398 119.914 0.062 0.000 3.488 735 V HA -0.115 4.005 4.120 -0.000 0.000 0.273 735 V C 1.876 177.995 176.094 0.042 0.000 1.209 735 V CA 1.339 63.665 62.300 0.043 0.000 1.179 735 V CB -1.191 30.647 31.823 0.025 0.000 0.842 735 V HN 0.411 nan 8.190 nan 0.000 0.515 736 N N 0.596 119.325 118.700 0.048 0.000 2.409 736 N HA 0.034 4.774 4.740 -0.000 0.000 0.174 736 N C 0.696 176.230 175.510 0.041 0.000 1.037 736 N CA 0.104 53.179 53.050 0.042 0.000 0.898 736 N CB 0.246 38.759 38.487 0.043 0.000 1.010 736 N HN 0.443 nan 8.380 nan 0.000 0.445 737 L N 3.026 124.278 121.223 0.048 0.000 2.361 737 L HA 0.145 4.485 4.340 -0.000 0.000 0.278 737 L C 0.420 177.316 176.870 0.045 0.000 1.113 737 L CA -0.575 54.292 54.840 0.045 0.000 0.849 737 L CB 0.755 42.846 42.059 0.052 0.000 1.155 737 L HN -0.016 nan 8.230 nan 0.000 0.452 738 K N 1.738 122.161 120.400 0.039 0.000 2.229 738 K HA -0.037 4.283 4.320 -0.000 0.000 0.250 738 K C 0.811 177.440 176.600 0.048 0.000 1.016 738 K CA -0.106 56.205 56.287 0.039 0.000 0.866 738 K CB 0.305 32.825 32.500 0.034 0.000 1.028 738 K HN 0.425 nan 8.250 nan 0.000 0.514 739 D N 0.387 120.818 120.400 0.051 0.000 2.183 739 D HA -0.094 4.546 4.640 -0.000 0.000 0.203 739 D C 1.703 178.047 176.300 0.074 0.000 0.969 739 D CA 0.996 55.034 54.000 0.064 0.000 0.842 739 D CB -0.272 40.565 40.800 0.062 0.000 0.957 739 D HN 0.424 nan 8.370 nan 0.000 0.484 740 L N 0.631 121.891 121.223 0.061 0.000 2.189 740 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 740 L C 0.739 177.639 176.870 0.050 0.000 1.097 740 L CA 0.780 55.654 54.840 0.057 0.000 0.764 740 L CB -1.712 40.370 42.059 0.037 0.000 0.900 740 L HN -0.205 nan 8.230 nan 0.000 0.436 741 N N 1.055 119.784 118.700 0.048 0.000 2.411 741 N HA -0.071 4.669 4.740 -0.000 0.000 0.261 741 N C 0.932 176.480 175.510 0.064 0.000 1.248 741 N CA 0.286 53.359 53.050 0.039 0.000 0.885 741 N CB 0.272 38.786 38.487 0.045 0.000 1.062 741 N HN 0.250 nan 8.380 nan 0.000 0.471 742 N N 2.913 121.623 118.700 0.017 0.000 2.062 742 N HA -0.148 4.592 4.740 -0.000 0.000 0.191 742 N C 1.343 176.949 175.510 0.160 0.000 1.042 742 N CA 1.182 54.257 53.050 0.041 0.000 0.845 742 N CB -0.468 37.880 38.487 -0.232 0.000 1.024 742 N HN 0.333 nan 8.380 nan 0.000 0.424 743 V N 1.948 121.915 119.914 0.089 0.000 2.636 743 V HA -0.251 3.869 4.120 -0.000 0.000 0.258 743 V C 2.414 178.577 176.094 0.115 0.000 1.092 743 V CA 1.605 63.966 62.300 0.102 0.000 1.110 743 V CB -0.504 31.358 31.823 0.066 0.000 0.685 743 V HN 0.374 nan 8.190 nan 0.000 0.481 744 K N -0.585 119.884 120.400 0.115 0.000 2.078 744 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 744 K C 2.254 178.927 176.600 0.122 0.000 1.043 744 K CA 0.866 57.217 56.287 0.108 0.000 0.960 744 K CB -0.119 32.437 32.500 0.093 0.000 0.761 744 K HN 0.423 nan 8.250 nan 0.000 0.448 745 Q N 0.203 120.100 119.800 0.161 0.000 2.197 745 Q HA -0.253 4.087 4.340 -0.000 0.000 0.211 745 Q C 2.095 178.164 176.000 0.115 0.000 0.993 745 Q CA 2.396 58.303 55.803 0.173 0.000 0.883 745 Q CB -0.139 28.792 28.738 0.321 0.000 0.916 745 Q HN 0.415 nan 8.270 nan 0.000 0.418 746 M N -0.720 118.971 119.600 0.153 0.000 2.123 746 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 746 M C 2.186 178.518 176.300 0.054 0.000 1.069 746 M CA 0.990 56.333 55.300 0.072 0.000 1.133 746 M CB -0.049 32.625 32.600 0.123 0.000 1.356 746 M HN 0.057 nan 8.290 nan 0.000 0.415 747 V N 0.593 120.553 119.914 0.077 0.000 2.568 747 V HA -0.274 3.846 4.120 -0.000 0.000 0.253 747 V C 2.246 178.372 176.094 0.054 0.000 1.072 747 V CA 1.586 63.927 62.300 0.068 0.000 1.084 747 V CB -0.689 31.187 31.823 0.087 0.000 0.676 747 V HN 0.520 nan 8.190 nan 0.000 0.469 748 M N -0.365 119.265 119.600 0.051 0.000 2.193 748 M HA -0.002 4.478 4.480 -0.000 0.000 0.265 748 M C 2.397 178.706 176.300 0.014 0.000 1.071 748 M CA 1.747 57.069 55.300 0.036 0.000 1.140 748 M CB -0.476 32.149 32.600 0.042 0.000 1.369 748 M HN 0.355 nan 8.290 nan 0.000 0.423 749 A N 0.117 122.937 122.820 0.001 0.000 1.969 749 A HA 0.161 4.481 4.320 -0.000 0.000 0.218 749 A C 1.803 179.379 177.584 -0.013 0.000 1.169 749 A CA 1.529 53.552 52.037 -0.023 0.000 0.635 749 A CB -0.881 18.085 19.000 -0.056 0.000 0.810 749 A HN 0.671 nan 8.150 nan 0.000 0.445 750 G N -1.231 107.570 108.800 0.002 0.000 2.131 750 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.201 750 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.201 750 G C 0.884 175.787 174.900 0.006 0.000 1.000 750 G CA 1.097 46.203 45.100 0.009 0.000 0.680 750 G HN 1.459 nan 8.290 nan 0.000 0.514 751 S N -1.693 114.005 115.700 -0.002 0.000 2.503 751 S HA 0.549 5.019 4.470 -0.000 0.000 0.217 751 S C 0.735 175.340 174.600 0.008 0.000 0.999 751 S CA 1.030 59.226 58.200 -0.006 0.000 0.914 751 S CB 0.765 63.946 63.200 -0.031 0.000 0.782 751 S HN 0.373 nan 8.310 nan 0.000 0.520 752 K N 0.090 120.503 120.400 0.023 0.000 2.653 752 K HA 0.492 4.812 4.320 -0.000 0.000 0.274 752 K C -0.161 176.467 176.600 0.047 0.000 0.974 752 K CA 0.491 56.798 56.287 0.033 0.000 0.868 752 K CB 1.105 33.629 32.500 0.040 0.000 1.408 752 K HN 0.590 nan 8.250 nan 0.000 0.397 753 G N 1.182 110.008 108.800 0.043 0.000 2.819 753 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.682 753 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.682 753 G C -0.542 174.395 174.900 0.060 0.000 1.481 753 G CA 0.063 45.193 45.100 0.050 0.000 0.904 753 G HN 1.344 nan 8.290 nan 0.000 0.563 754 S N -0.150 115.590 115.700 0.067 0.000 2.705 754 S HA 0.734 5.204 4.470 -0.000 0.000 0.280 754 S C 0.817 175.496 174.600 0.132 0.000 1.174 754 S CA 0.332 58.594 58.200 0.102 0.000 0.823 754 S CB 1.341 64.600 63.200 0.099 0.000 1.162 754 S HN 2.030 nan 8.310 nan 0.000 0.487 755 F N 2.077 122.047 119.950 0.033 0.000 2.041 755 F HA -0.200 4.327 4.527 -0.000 0.000 0.296 755 F C 1.903 177.724 175.800 0.034 0.000 1.147 755 F CA 2.211 60.230 58.000 0.033 0.000 1.214 755 F CB -0.846 38.171 39.000 0.029 0.000 0.947 755 F HN 0.517 nan 8.300 nan 0.000 0.511 756 I N 1.196 121.476 120.570 -0.483 0.000 2.147 756 I HA -0.452 3.718 4.170 -0.000 0.000 0.245 756 I C 2.294 178.223 176.117 -0.315 0.000 1.059 756 I CA 1.973 62.936 61.300 -0.562 0.000 1.320 756 I CB -1.938 35.938 38.000 -0.207 0.000 1.021 756 I HN 0.385 nan 8.210 nan 0.000 0.415 757 N N 1.295 119.917 118.700 -0.130 0.000 2.007 757 N HA -0.197 4.543 4.740 -0.000 0.000 0.197 757 N C 1.947 177.433 175.510 -0.039 0.000 1.050 757 N CA 2.033 55.060 53.050 -0.038 0.000 0.856 757 N CB -0.486 38.008 38.487 0.012 0.000 1.050 757 N HN 0.471 nan 8.380 nan 0.000 0.423 758 I N 1.046 121.598 120.570 -0.031 0.000 2.248 758 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 758 I C 2.501 178.587 176.117 -0.052 0.000 1.107 758 I CA 1.233 62.532 61.300 -0.002 0.000 1.373 758 I CB -0.696 37.333 38.000 0.049 0.000 1.055 758 I HN 0.019 nan 8.210 nan 0.000 0.418 759 A N 1.178 123.890 122.820 -0.180 0.000 1.859 759 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 759 A C 2.322 179.802 177.584 -0.174 0.000 1.198 759 A CA 2.019 53.916 52.037 -0.232 0.000 0.629 759 A CB -0.884 17.796 19.000 -0.534 0.000 0.830 759 A HN 0.557 nan 8.150 nan 0.000 0.446 760 Q N -1.258 118.430 119.800 -0.187 0.000 2.437 760 Q HA 0.008 4.348 4.340 -0.000 0.000 0.210 760 Q C 1.977 177.873 176.000 -0.172 0.000 0.972 760 Q CA 1.006 56.658 55.803 -0.251 0.000 0.903 760 Q CB -0.138 28.464 28.738 -0.228 0.000 0.967 760 Q HN 0.741 nan 8.270 nan 0.000 0.486 761 M N -1.278 118.331 119.600 0.015 0.000 2.398 761 M HA -0.016 4.464 4.480 -0.000 0.000 0.261 761 M C 1.947 178.275 176.300 0.047 0.000 1.125 761 M CA 1.018 56.394 55.300 0.126 0.000 1.183 761 M CB 0.313 32.988 32.600 0.125 0.000 1.322 761 M HN -0.009 nan 8.290 nan 0.000 0.467 762 S N 0.372 116.082 115.700 0.016 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.622 176.219 174.600 -0.004 0.000 1.029 762 S CA 0.634 58.843 58.200 0.014 0.000 0.946 762 S CB 0.042 63.258 63.200 0.026 0.000 0.797 762 S HN 0.430 nan 8.310 nan 0.000 0.504 763 A N 0.339 123.143 122.820 -0.027 0.000 2.666 763 A HA 0.545 4.864 4.320 -0.000 0.000 0.221 763 A C 0.734 178.279 177.584 -0.064 0.000 2.097 763 A CA 0.359 52.380 52.037 -0.026 0.000 0.835 763 A CB -0.554 18.442 19.000 -0.007 0.000 1.409 763 A HN 0.531 nan 8.150 nan 0.000 0.531 764 C N -1.083 118.156 119.300 -0.103 0.000 2.686 764 C HA 0.592 5.052 4.460 -0.000 0.000 0.318 764 C C 1.621 176.447 174.990 -0.274 0.000 1.160 764 C CA -0.294 58.629 59.018 -0.159 0.000 1.396 764 C CB 0.612 28.314 27.740 -0.063 0.000 1.924 764 C HN 0.569 nan 8.230 nan 0.000 0.471 765 V N 4.896 124.560 119.914 -0.417 0.000 2.214 765 V HA 0.322 4.441 4.120 -0.000 0.000 0.244 765 V C 1.631 177.480 176.094 -0.409 0.000 1.045 765 V CA 2.467 64.452 62.300 -0.524 0.000 0.993 765 V CB -1.161 30.252 31.823 -0.685 0.000 0.633 765 V HN 1.589 nan 8.190 nan 0.000 0.449 766 G N -1.076 107.405 108.800 -0.530 0.000 2.369 766 G HA2 0.245 4.205 3.960 -0.000 0.000 0.307 766 G HA3 0.245 4.205 3.960 -0.000 0.000 0.307 766 G C -1.301 173.333 174.900 -0.443 0.000 1.327 766 G CA -0.158 44.691 45.100 -0.419 0.000 0.963 766 G HN 0.426 nan 8.290 nan 0.000 0.590 767 Q N 0.326 120.088 119.800 -0.063 0.000 2.406 767 Q HA 0.590 4.930 4.340 -0.000 0.000 0.242 767 Q C 0.286 176.336 176.000 0.083 0.000 1.036 767 Q CA -0.246 55.642 55.803 0.141 0.000 0.904 767 Q CB 0.805 29.780 28.738 0.395 0.000 1.244 767 Q HN 0.487 nan 8.270 nan 0.000 0.478 768 Q N 1.603 121.454 119.800 0.085 0.000 2.349 768 Q HA 0.297 4.637 4.340 -0.000 0.000 0.287 768 Q C -0.922 175.111 176.000 0.055 0.000 1.044 768 Q CA 0.412 56.274 55.803 0.099 0.000 0.918 768 Q CB 1.180 30.021 28.738 0.172 0.000 1.242 768 Q HN 0.655 nan 8.270 nan 0.000 0.405 769 S N 0.921 116.637 115.700 0.026 0.000 2.549 769 S HA 0.767 5.237 4.470 -0.000 0.000 0.280 769 S C -1.565 173.022 174.600 -0.022 0.000 1.109 769 S CA -0.793 57.403 58.200 -0.008 0.000 0.905 769 S CB 1.108 64.302 63.200 -0.009 0.000 1.081 769 S HN 0.261 nan 8.310 nan 0.000 0.477 770 V N 3.881 123.771 119.914 -0.039 0.000 2.380 770 V HA 0.553 4.673 4.120 -0.000 0.000 0.286 770 V C -0.151 175.918 176.094 -0.041 0.000 1.015 770 V CA -0.543 61.733 62.300 -0.041 0.000 0.834 770 V CB 0.366 32.162 31.823 -0.046 0.000 1.009 770 V HN 1.126 nan 8.190 nan 0.000 0.428 771 E N 3.171 123.352 120.200 -0.033 0.000 2.759 771 E HA -0.247 4.103 4.350 -0.000 0.000 0.280 771 E C 1.332 177.913 176.600 -0.031 0.000 1.009 771 E CA 0.577 56.959 56.400 -0.029 0.000 0.849 771 E CB -1.343 28.339 29.700 -0.029 0.000 1.415 771 E HN 1.544 nan 8.360 nan 0.000 0.412 772 G N 0.194 108.975 108.800 -0.031 0.000 2.257 772 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.267 772 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.267 772 G C 0.218 175.089 174.900 -0.049 0.000 0.984 772 G CA 1.001 46.082 45.100 -0.032 0.000 0.626 772 G HN 0.252 nan 8.290 nan 0.000 0.540 773 K N 2.165 122.529 120.400 -0.060 0.000 2.299 773 K HA 0.380 4.700 4.320 -0.000 0.000 0.268 773 K C 1.001 177.534 176.600 -0.111 0.000 1.075 773 K CA -0.761 55.474 56.287 -0.088 0.000 0.936 773 K CB 0.699 33.148 32.500 -0.085 0.000 1.228 773 K HN 0.573 nan 8.250 nan 0.000 0.454 774 R N 2.399 122.827 120.500 -0.120 0.000 2.598 774 R HA -0.097 4.243 4.340 -0.000 0.000 0.266 774 R C 0.206 176.391 176.300 -0.192 0.000 0.977 774 R CA -0.298 55.725 56.100 -0.128 0.000 1.097 774 R CB -0.209 30.015 30.300 -0.128 0.000 0.911 774 R HN 0.417 nan 8.270 nan 0.000 0.419 775 I N 1.323 121.781 120.570 -0.188 0.000 3.396 775 I HA -0.264 3.906 4.170 -0.000 0.000 0.356 775 I C 1.219 177.155 176.117 -0.302 0.000 1.198 775 I CA 0.978 62.125 61.300 -0.256 0.000 1.512 775 I CB -1.470 36.247 38.000 -0.471 0.000 1.283 775 I HN 0.848 nan 8.210 nan 0.000 0.480 776 A N 7.945 130.632 122.820 -0.222 0.000 2.257 776 A HA 0.512 4.832 4.320 -0.000 0.000 0.290 776 A C 0.354 177.905 177.584 -0.055 0.000 1.201 776 A CA -0.436 51.458 52.037 -0.238 0.000 0.863 776 A CB 0.314 19.236 19.000 -0.130 0.000 1.256 776 A HN 0.619 nan 8.150 nan 0.000 0.506 777 F N 0.405 120.315 119.950 -0.066 0.000 2.974 777 F HA 0.198 4.724 4.527 -0.000 0.000 0.292 777 F C 1.901 177.736 175.800 0.058 0.000 1.209 777 F CA -0.116 57.886 58.000 0.004 0.000 1.366 777 F CB 0.113 39.110 39.000 -0.005 0.000 1.033 777 F HN 0.763 nan 8.300 nan 0.000 0.516 778 G N -0.150 108.773 108.800 0.204 0.000 2.586 778 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.215 778 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.215 778 G C 0.819 175.857 174.900 0.230 0.000 1.128 778 G CA 0.167 45.350 45.100 0.139 0.000 0.774 778 G HN 0.513 nan 8.290 nan 0.000 0.543 779 F N 1.240 121.236 119.950 0.076 0.000 2.983 779 F HA 0.312 4.839 4.527 -0.000 0.000 0.307 779 F C 0.368 176.160 175.800 -0.013 0.000 1.218 779 F CA -0.940 57.076 58.000 0.027 0.000 1.323 779 F CB 0.613 39.627 39.000 0.024 0.000 0.989 779 F HN -0.178 nan 8.300 nan 0.000 0.509 780 V N 1.633 121.638 119.914 0.150 0.000 5.574 780 V HA -0.343 3.777 4.120 -0.000 0.000 0.296 780 V C -0.059 175.962 176.094 -0.122 0.000 0.678 780 V CA 1.178 63.489 62.300 0.019 0.000 1.093 780 V CB -1.745 30.064 31.823 -0.024 0.000 1.279 780 V HN 0.826 nan 8.190 nan 0.000 0.446 781 D N 0.769 121.062 120.400 -0.179 0.000 2.708 781 D HA -0.216 4.424 4.640 -0.000 0.000 0.236 781 D C 0.375 175.838 176.300 -1.394 0.000 1.146 781 D CA 1.822 55.419 54.000 -0.671 0.000 0.662 781 D CB -0.401 40.229 40.800 -0.283 0.000 1.059 781 D HN 1.140 nan 8.370 nan 0.000 0.428 782 R N -4.329 115.472 120.500 -1.165 0.000 2.753 782 R HA 0.522 4.862 4.340 -0.000 0.000 0.272 782 R C -0.093 176.403 176.300 0.326 0.000 1.034 782 R CA -0.970 54.817 56.100 -0.521 0.000 0.869 782 R CB 0.478 30.694 30.300 -0.141 0.000 1.264 782 R HN -0.161 nan 8.270 nan 0.000 0.481 783 T N 0.377 115.289 114.554 0.597 0.000 3.009 783 T HA 0.303 4.653 4.350 -0.000 0.000 0.258 783 T C 0.524 175.496 174.700 0.454 0.000 1.063 783 T CA 0.619 63.034 62.100 0.524 0.000 1.139 783 T CB -0.089 69.061 68.868 0.470 0.000 0.890 783 T HN 0.287 nan 8.240 nan 0.000 0.471 784 L N -0.100 121.428 121.223 0.509 0.000 2.630 784 L HA 0.337 4.677 4.340 -0.000 0.000 0.258 784 L C -1.966 175.029 176.870 0.208 0.000 1.072 784 L CA -2.100 52.940 54.840 0.334 0.000 0.885 784 L CB 2.253 44.183 42.059 -0.216 0.000 1.502 784 L HN -0.301 nan 8.230 nan 0.000 0.406 785 P HA -0.075 nan 4.420 nan 0.000 0.237 785 P C 0.720 178.099 177.300 0.131 0.000 1.178 785 P CA 1.151 64.236 63.100 -0.026 0.000 0.766 785 P CB -0.018 31.690 31.700 0.013 0.000 0.876 786 H N -1.585 117.397 119.070 -0.146 0.000 2.547 786 H HA 0.206 4.762 4.556 -0.000 0.000 0.274 786 H C 0.225 175.437 175.328 -0.194 0.000 1.024 786 H CA -0.289 55.620 56.048 -0.232 0.000 1.155 786 H CB -0.322 29.209 29.762 -0.385 0.000 1.344 786 H HN 0.197 nan 8.280 nan 0.000 0.598 787 F N 0.123 120.182 119.950 0.181 0.000 2.563 787 F HA 0.273 4.800 4.527 -0.000 0.000 0.316 787 F C 0.139 175.963 175.800 0.040 0.000 1.076 787 F CA -1.386 56.690 58.000 0.126 0.000 0.921 787 F CB 1.968 41.065 39.000 0.162 0.000 1.209 787 F HN -0.138 nan 8.300 nan 0.000 0.462 788 S N 2.159 118.012 115.700 0.254 0.000 2.545 788 S HA 0.209 4.679 4.470 -0.000 0.000 0.275 788 S C -0.116 174.503 174.600 0.032 0.000 1.299 788 S CA -0.937 57.324 58.200 0.102 0.000 1.048 788 S CB 0.852 64.103 63.200 0.086 0.000 0.938 788 S HN 0.438 nan 8.310 nan 0.000 0.496 789 K N 1.401 121.779 120.400 -0.037 0.000 2.393 789 K HA -0.076 4.244 4.320 -0.000 0.000 0.264 789 K C -0.325 176.208 176.600 -0.112 0.000 0.979 789 K CA 0.464 56.673 56.287 -0.130 0.000 0.893 789 K CB -0.077 32.357 32.500 -0.110 0.000 0.967 789 K HN 0.616 nan 8.250 nan 0.000 0.521 790 D N 1.130 121.411 120.400 -0.198 0.000 2.810 790 D HA -0.186 4.454 4.640 -0.000 0.000 0.224 790 D C -0.811 175.606 176.300 0.195 0.000 1.222 790 D CA 0.963 54.984 54.000 0.037 0.000 0.698 790 D CB -0.641 40.206 40.800 0.079 0.000 0.961 790 D HN 0.375 nan 8.370 nan 0.000 0.403 791 D N 0.231 120.766 120.400 0.225 0.000 2.462 791 D HA 0.110 4.750 4.640 -0.000 0.000 0.249 791 D C -0.086 176.479 176.300 0.441 0.000 1.117 791 D CA -0.621 53.530 54.000 0.251 0.000 0.900 791 D CB 0.232 41.040 40.800 0.014 0.000 1.039 791 D HN 0.170 nan 8.370 nan 0.000 0.516 792 Y N 1.195 121.637 120.300 0.237 0.000 2.490 792 Y HA 0.006 4.556 4.550 -0.000 0.000 0.281 792 Y C 1.535 177.493 175.900 0.097 0.000 1.174 792 Y CA -0.108 58.101 58.100 0.182 0.000 1.295 792 Y CB -0.062 38.552 38.460 0.257 0.000 1.062 792 Y HN 0.251 nan 8.280 nan 0.000 0.522 793 S N 1.354 117.158 115.700 0.174 0.000 2.579 793 S HA 0.040 4.510 4.470 -0.000 0.000 0.275 793 S C -1.287 173.329 174.600 0.027 0.000 1.345 793 S CA -1.067 57.188 58.200 0.093 0.000 1.031 793 S CB 1.203 64.438 63.200 0.058 0.000 0.892 793 S HN 0.097 nan 8.310 nan 0.000 0.529 794 P HA -0.131 nan 4.420 nan 0.000 0.218 794 P C 0.614 178.021 177.300 0.178 0.000 1.148 794 P CA 1.300 64.441 63.100 0.068 0.000 0.822 794 P CB -0.060 31.623 31.700 -0.027 0.000 0.784 795 E N -0.327 119.964 120.200 0.153 0.000 2.515 795 E HA -0.045 4.305 4.350 -0.000 0.000 0.201 795 E C 1.851 178.619 176.600 0.280 0.000 1.071 795 E CA 0.773 57.320 56.400 0.245 0.000 0.880 795 E CB -0.604 29.217 29.700 0.201 0.000 0.828 795 E HN 0.254 nan 8.360 nan 0.000 0.540 796 S N -1.081 114.626 115.700 0.013 0.000 2.687 796 S HA 0.130 4.600 4.470 -0.000 0.000 0.247 796 S C 1.167 175.747 174.600 -0.033 0.000 1.050 796 S CA -0.348 57.684 58.200 -0.281 0.000 1.063 796 S CB 0.242 62.756 63.200 -1.144 0.000 1.039 796 S HN -0.100 nan 8.310 nan 0.000 0.580 797 K N 1.099 121.490 120.400 -0.016 0.000 2.358 797 K HA 0.365 4.685 4.320 -0.000 0.000 0.197 797 K C 0.914 177.467 176.600 -0.079 0.000 1.025 797 K CA 0.713 56.914 56.287 -0.143 0.000 1.104 797 K CB 0.710 33.113 32.500 -0.161 0.000 0.855 797 K HN 0.487 nan 8.250 nan 0.000 0.531 798 G N 1.686 110.583 108.800 0.161 0.000 2.151 798 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.156 798 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.156 798 G C -0.604 174.508 174.900 0.353 0.000 1.017 798 G CA -0.604 44.704 45.100 0.346 0.000 0.686 798 G HN 0.214 nan 8.290 nan 0.000 0.503 799 F N 1.823 121.900 119.950 0.212 0.000 2.391 799 F HA 0.614 5.141 4.527 -0.000 0.000 0.359 799 F C 0.379 176.249 175.800 0.117 0.000 1.122 799 F CA -0.931 57.143 58.000 0.124 0.000 1.120 799 F CB 1.522 40.573 39.000 0.084 0.000 1.142 799 F HN -0.001 nan 8.300 nan 0.000 0.483 800 V N 7.701 127.304 119.914 -0.518 0.000 2.353 800 V HA 0.063 4.183 4.120 -0.000 0.000 0.264 800 V C 1.022 176.748 176.094 -0.612 0.000 1.049 800 V CA -0.009 62.047 62.300 -0.407 0.000 0.896 800 V CB 0.911 32.510 31.823 -0.374 0.000 1.025 800 V HN 0.921 nan 8.190 nan 0.000 0.475 801 E N 4.356 124.416 120.200 -0.234 0.000 2.112 801 E HA -0.066 4.284 4.350 -0.000 0.000 0.190 801 E C 0.971 177.518 176.600 -0.088 0.000 0.979 801 E CA 0.306 56.677 56.400 -0.048 0.000 0.814 801 E CB 0.285 30.092 29.700 0.178 0.000 0.762 801 E HN 0.708 nan 8.360 nan 0.000 0.460 802 N N 1.076 119.716 118.700 -0.100 0.000 2.415 802 N HA -0.001 4.739 4.740 -0.000 0.000 0.248 802 N C -0.430 174.977 175.510 -0.173 0.000 1.271 802 N CA 0.409 53.404 53.050 -0.092 0.000 0.913 802 N CB 1.335 39.789 38.487 -0.054 0.000 1.129 802 N HN 0.113 nan 8.380 nan 0.000 0.444 803 S N 0.036 115.662 115.700 -0.124 0.000 2.690 803 S HA 0.297 4.767 4.470 -0.000 0.000 0.291 803 S C 1.075 175.625 174.600 -0.083 0.000 1.138 803 S CA -0.703 57.400 58.200 -0.162 0.000 1.013 803 S CB 0.598 63.752 63.200 -0.077 0.000 1.053 803 S HN 0.559 nan 8.310 nan 0.000 0.539 804 Y N -0.083 120.184 120.300 -0.056 0.000 2.333 804 Y HA -0.113 4.437 4.550 -0.000 0.000 0.290 804 Y C 2.169 178.057 175.900 -0.019 0.000 1.144 804 Y CA 0.548 58.626 58.100 -0.036 0.000 1.228 804 Y CB -0.113 38.328 38.460 -0.030 0.000 0.985 804 Y HN 0.601 nan 8.280 nan 0.000 0.542 805 L N 0.426 121.726 121.223 0.129 0.000 2.201 805 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 805 L C 1.914 178.814 176.870 0.050 0.000 1.105 805 L CA 1.679 56.562 54.840 0.072 0.000 0.775 805 L CB -0.233 41.853 42.059 0.045 0.000 0.913 805 L HN 0.020 nan 8.230 nan 0.000 0.440 806 R N -0.512 120.013 120.500 0.042 0.000 2.225 806 R HA 0.401 4.741 4.340 -0.000 0.000 0.194 806 R C 0.516 176.836 176.300 0.033 0.000 0.957 806 R CA 0.492 56.608 56.100 0.026 0.000 1.042 806 R CB 0.074 30.380 30.300 0.010 0.000 1.004 806 R HN 0.398 nan 8.270 nan 0.000 0.509 807 G N 1.609 110.444 108.800 0.058 0.000 2.777 807 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 807 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 807 G C -0.571 174.357 174.900 0.046 0.000 1.177 807 G CA -0.976 44.170 45.100 0.075 0.000 0.775 807 G HN -0.048 nan 8.290 nan 0.000 0.613 808 L N 0.937 122.209 121.223 0.081 0.000 2.394 808 L HA 0.670 5.010 4.340 -0.000 0.000 0.229 808 L C 1.819 178.712 176.870 0.039 0.000 1.225 808 L CA 0.810 55.689 54.840 0.065 0.000 0.829 808 L CB 0.142 42.299 42.059 0.163 0.000 1.195 808 L HN 1.211 nan 8.230 nan 0.000 0.548 809 T N -4.155 110.421 114.554 0.038 0.000 2.932 809 T HA 0.467 4.817 4.350 -0.000 0.000 0.289 809 T C -2.140 172.574 174.700 0.024 0.000 1.039 809 T CA -1.945 60.161 62.100 0.011 0.000 1.024 809 T CB 1.659 70.534 68.868 0.011 0.000 1.090 809 T HN 0.317 nan 8.240 nan 0.000 0.496 810 P HA -0.211 nan 4.420 nan 0.000 0.219 810 P C 1.283 178.602 177.300 0.032 0.000 1.153 810 P CA 1.494 64.615 63.100 0.036 0.000 0.865 810 P CB 0.099 31.822 31.700 0.039 0.000 0.788 811 Q N -0.960 118.766 119.800 -0.125 0.000 2.036 811 Q HA -0.074 4.266 4.340 -0.000 0.000 0.195 811 Q C 2.193 177.820 176.000 -0.622 0.000 0.971 811 Q CA 1.036 56.522 55.803 -0.529 0.000 0.826 811 Q CB -0.711 27.723 28.738 -0.506 0.000 0.896 811 Q HN 0.277 nan 8.270 nan 0.000 0.449 812 E N 0.129 120.172 120.200 -0.262 0.000 2.136 812 E HA -0.264 4.086 4.350 -0.000 0.000 0.202 812 E C 1.645 178.265 176.600 0.033 0.000 1.019 812 E CA 1.293 57.637 56.400 -0.094 0.000 0.819 812 E CB -0.236 29.453 29.700 -0.018 0.000 0.739 812 E HN 0.199 nan 8.360 nan 0.000 0.458 813 F N 0.518 120.429 119.950 -0.064 0.000 2.014 813 F HA -0.213 4.313 4.527 -0.000 0.000 0.295 813 F C 2.119 177.979 175.800 0.100 0.000 1.145 813 F CA 1.632 59.661 58.000 0.048 0.000 1.178 813 F CB -0.686 38.338 39.000 0.040 0.000 0.972 813 F HN -0.048 nan 8.300 nan 0.000 0.476 814 F N -0.054 119.934 119.950 0.062 0.000 2.192 814 F HA -0.268 4.259 4.527 -0.000 0.000 0.301 814 F C 2.064 177.970 175.800 0.177 0.000 1.079 814 F CA 1.638 59.657 58.000 0.032 0.000 1.303 814 F CB -0.451 38.596 39.000 0.078 0.000 1.024 814 F HN 0.037 nan 8.300 nan 0.000 0.494 815 F N -1.856 118.263 119.950 0.283 0.000 2.128 815 F HA -0.195 4.332 4.527 -0.000 0.000 0.295 815 F C 2.532 178.377 175.800 0.074 0.000 1.100 815 F CA 0.709 58.827 58.000 0.198 0.000 1.260 815 F CB -0.872 38.247 39.000 0.198 0.000 1.009 815 F HN -0.016 nan 8.300 nan 0.000 0.476 816 H N 0.993 120.134 119.070 0.119 0.000 2.390 816 H HA -0.185 4.371 4.556 -0.000 0.000 0.298 816 H C 1.978 177.226 175.328 -0.135 0.000 1.106 816 H CA 1.281 57.313 56.048 -0.026 0.000 1.297 816 H CB -0.377 29.342 29.762 -0.071 0.000 1.375 816 H HN 0.212 nan 8.280 nan 0.000 0.509 817 A N 0.541 123.197 122.820 -0.274 0.000 1.828 817 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 817 A C 2.583 179.984 177.584 -0.306 0.000 1.203 817 A CA 2.031 53.803 52.037 -0.442 0.000 0.614 817 A CB -0.959 17.652 19.000 -0.649 0.000 0.844 817 A HN 0.506 nan 8.150 nan 0.000 0.445 818 M N -0.350 119.111 119.600 -0.231 0.000 2.128 818 M HA -0.233 4.247 4.480 -0.000 0.000 0.253 818 M C 2.162 178.403 176.300 -0.098 0.000 1.079 818 M CA 1.717 56.943 55.300 -0.123 0.000 1.082 818 M CB -0.849 31.757 32.600 0.009 0.000 1.335 818 M HN 0.562 nan 8.290 nan 0.000 0.401 819 G N -0.330 108.423 108.800 -0.078 0.000 2.404 819 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.215 819 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.215 819 G C 1.499 176.322 174.900 -0.129 0.000 1.174 819 G CA 0.914 45.973 45.100 -0.069 0.000 0.780 819 G HN 0.565 nan 8.290 nan 0.000 0.537 820 G N 0.896 109.559 108.800 -0.229 0.000 2.453 820 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.215 820 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.215 820 G C 1.833 176.629 174.900 -0.172 0.000 1.201 820 G CA 1.276 46.229 45.100 -0.246 0.000 0.784 820 G HN 0.481 nan 8.290 nan 0.000 0.545 821 R N 0.926 121.319 120.500 -0.178 0.000 2.174 821 R HA -0.163 4.177 4.340 -0.000 0.000 0.253 821 R C 2.216 178.457 176.300 -0.098 0.000 1.165 821 R CA 2.218 58.236 56.100 -0.136 0.000 0.984 821 R CB -0.634 29.583 30.300 -0.139 0.000 0.873 821 R HN 0.570 nan 8.270 nan 0.000 0.456 822 E N -1.250 118.896 120.200 -0.090 0.000 2.106 822 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 822 E C 1.712 178.276 176.600 -0.059 0.000 0.984 822 E CA 1.058 57.419 56.400 -0.065 0.000 0.806 822 E CB -0.348 29.319 29.700 -0.055 0.000 0.750 822 E HN 0.561 nan 8.360 nan 0.000 0.458 823 G N 1.678 110.437 108.800 -0.069 0.000 2.604 823 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 823 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 823 G C 1.510 176.377 174.900 -0.055 0.000 1.265 823 G CA 1.143 46.208 45.100 -0.059 0.000 0.804 823 G HN 0.233 nan 8.290 nan 0.000 0.579 824 L N -0.107 121.077 121.223 -0.065 0.000 2.123 824 L HA -0.228 4.112 4.340 -0.000 0.000 0.217 824 L C 2.775 179.616 176.870 -0.048 0.000 1.081 824 L CA 0.840 55.646 54.840 -0.057 0.000 0.772 824 L CB -0.704 41.315 42.059 -0.067 0.000 0.890 824 L HN 0.171 nan 8.230 nan 0.000 0.437 825 I N 1.241 121.782 120.570 -0.049 0.000 2.076 825 I HA -0.331 3.839 4.170 -0.000 0.000 0.237 825 I C 2.211 178.309 176.117 -0.031 0.000 1.059 825 I CA 2.348 63.624 61.300 -0.040 0.000 1.317 825 I CB -0.422 37.554 38.000 -0.040 0.000 1.037 825 I HN 0.473 nan 8.210 nan 0.000 0.398 826 D N -2.180 118.202 120.400 -0.030 0.000 2.183 826 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 826 D C 1.887 178.174 176.300 -0.022 0.000 0.969 826 D CA 1.289 55.275 54.000 -0.023 0.000 0.842 826 D CB -1.057 39.730 40.800 -0.020 0.000 0.957 826 D HN 0.203 nan 8.370 nan 0.000 0.484 827 T N -0.137 114.400 114.554 -0.027 0.000 2.802 827 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 827 T C 1.861 176.547 174.700 -0.023 0.000 1.062 827 T CA 1.512 63.596 62.100 -0.027 0.000 1.133 827 T CB -0.391 68.458 68.868 -0.032 0.000 0.852 827 T HN 0.437 nan 8.240 nan 0.000 0.485 828 A N -0.135 122.670 122.820 -0.024 0.000 2.218 828 A HA 0.312 4.632 4.320 -0.000 0.000 0.209 828 A C 2.063 179.638 177.584 -0.016 0.000 1.168 828 A CA 0.378 52.403 52.037 -0.021 0.000 0.804 828 A CB 0.114 19.100 19.000 -0.024 0.000 0.834 828 A HN 0.403 nan 8.150 nan 0.000 0.482 829 V N -1.731 118.175 119.914 -0.014 0.000 3.137 829 V HA 0.084 4.204 4.120 -0.000 0.000 0.236 829 V C 1.748 177.841 176.094 -0.001 0.000 1.260 829 V CA 0.858 63.154 62.300 -0.007 0.000 1.244 829 V CB -0.227 31.591 31.823 -0.008 0.000 1.016 829 V HN 0.270 nan 8.190 nan 0.000 0.477 830 K N 0.628 121.024 120.400 -0.006 0.000 2.589 830 K HA -0.101 4.219 4.320 -0.000 0.000 0.195 830 K C 1.826 178.422 176.600 -0.006 0.000 1.040 830 K CA 1.421 57.705 56.287 -0.006 0.000 0.950 830 K CB -0.263 32.229 32.500 -0.013 0.000 0.781 830 K HN 0.523 nan 8.250 nan 0.000 0.486 831 T N -2.292 112.259 114.554 -0.004 0.000 3.056 831 T HA 0.260 4.610 4.350 -0.000 0.000 0.243 831 T C 1.599 176.305 174.700 0.010 0.000 0.995 831 T CA 0.499 62.596 62.100 -0.004 0.000 1.091 831 T CB 0.007 68.868 68.868 -0.010 0.000 0.990 831 T HN 0.143 nan 8.240 nan 0.000 0.464 832 A N 1.384 124.212 122.820 0.012 0.000 1.835 832 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 832 A C 2.079 179.701 177.584 0.063 0.000 1.199 832 A CA 2.102 54.153 52.037 0.023 0.000 0.615 832 A CB -1.008 17.995 19.000 0.004 0.000 0.838 832 A HN 0.620 nan 8.150 nan 0.000 0.444 833 E N -1.085 119.153 120.200 0.063 0.000 2.130 833 E HA -0.156 4.194 4.350 -0.000 0.000 0.196 833 E C 2.086 178.757 176.600 0.119 0.000 0.998 833 E CA 1.709 58.178 56.400 0.115 0.000 0.806 833 E CB -0.201 29.546 29.700 0.079 0.000 0.738 833 E HN 0.624 nan 8.360 nan 0.000 0.459 834 T N -0.692 113.896 114.554 0.057 0.000 2.595 834 T HA -0.180 4.170 4.350 -0.000 0.000 0.264 834 T C 1.760 176.478 174.700 0.031 0.000 1.058 834 T CA 1.458 63.572 62.100 0.023 0.000 1.166 834 T CB -0.861 68.005 68.868 -0.004 0.000 0.863 834 T HN 0.448 nan 8.240 nan 0.000 0.415 835 G N 0.113 108.938 108.800 0.042 0.000 2.513 835 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 835 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 835 G C 1.375 176.336 174.900 0.101 0.000 1.160 835 G CA 1.295 46.423 45.100 0.047 0.000 0.767 835 G HN 0.498 nan 8.290 nan 0.000 0.571 836 Y N 1.434 121.735 120.300 0.002 0.000 2.036 836 Y HA -0.148 4.402 4.550 -0.000 0.000 0.273 836 Y C 2.769 178.680 175.900 0.019 0.000 1.135 836 Y CA 1.332 59.448 58.100 0.027 0.000 1.106 836 Y CB -0.810 37.674 38.460 0.040 0.000 0.976 836 Y HN 0.188 nan 8.280 nan 0.000 0.483 837 I N 0.308 120.829 120.570 -0.082 0.000 2.147 837 I HA -0.470 3.700 4.170 -0.000 0.000 0.245 837 I C 2.686 178.688 176.117 -0.192 0.000 1.059 837 I CA 1.991 63.181 61.300 -0.184 0.000 1.320 837 I CB -0.597 37.366 38.000 -0.062 0.000 1.021 837 I HN 0.450 nan 8.210 nan 0.000 0.415 838 Q N 1.248 120.975 119.800 -0.122 0.000 2.030 838 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 838 Q C 2.322 178.224 176.000 -0.164 0.000 0.986 838 Q CA 2.529 58.256 55.803 -0.126 0.000 0.843 838 Q CB -0.218 28.468 28.738 -0.086 0.000 0.904 838 Q HN 0.625 nan 8.270 nan 0.000 0.420 839 R N -0.230 120.179 120.500 -0.152 0.000 2.075 839 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 839 R C 2.260 178.367 176.300 -0.322 0.000 1.126 839 R CA 1.342 57.335 56.100 -0.179 0.000 0.963 839 R CB -0.457 29.796 30.300 -0.078 0.000 0.858 839 R HN 0.107 nan 8.270 nan 0.000 0.435 840 R N 0.869 121.130 120.500 -0.398 0.000 2.113 840 R HA -0.136 4.204 4.340 -0.000 0.000 0.244 840 R C 2.482 178.518 176.300 -0.440 0.000 1.142 840 R CA 2.174 57.998 56.100 -0.461 0.000 0.953 840 R CB -0.715 29.346 30.300 -0.398 0.000 0.860 840 R HN 0.259 nan 8.270 nan 0.000 0.438 841 L N 0.076 121.094 121.223 -0.342 0.000 1.970 841 L HA -0.234 4.105 4.340 -0.000 0.000 0.212 841 L C 2.463 179.120 176.870 -0.356 0.000 1.071 841 L CA 1.441 56.087 54.840 -0.325 0.000 0.751 841 L CB -0.666 41.255 42.059 -0.230 0.000 0.889 841 L HN 0.080 nan 8.230 nan 0.000 0.432 842 V N -0.323 119.418 119.914 -0.289 0.000 2.252 842 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 842 V C 2.521 178.437 176.094 -0.297 0.000 1.056 842 V CA 1.725 63.874 62.300 -0.251 0.000 1.022 842 V CB -0.620 31.090 31.823 -0.190 0.000 0.641 842 V HN 0.383 nan 8.190 nan 0.000 0.445 843 K N -0.083 120.100 120.400 -0.363 0.000 2.360 843 K HA -0.016 4.303 4.320 -0.000 0.000 0.201 843 K C 1.940 178.277 176.600 -0.438 0.000 1.046 843 K CA 1.288 57.359 56.287 -0.360 0.000 0.945 843 K CB -0.490 31.693 32.500 -0.529 0.000 0.750 843 K HN 0.546 nan 8.250 nan 0.000 0.464 844 A N -0.287 122.088 122.820 -0.741 0.000 2.147 844 A HA 0.116 4.436 4.320 -0.000 0.000 0.211 844 A C 1.720 178.952 177.584 -0.586 0.000 1.160 844 A CA 0.358 51.675 52.037 -1.200 0.000 0.781 844 A CB 0.131 18.189 19.000 -1.570 0.000 0.842 844 A HN 0.204 nan 8.150 nan 0.000 0.475 845 L N -1.892 119.104 121.223 -0.378 0.000 2.878 845 L HA 0.158 4.498 4.340 -0.000 0.000 0.253 845 L C 1.485 178.252 176.870 -0.172 0.000 1.135 845 L CA 0.015 54.710 54.840 -0.241 0.000 0.943 845 L CB -0.303 41.628 42.059 -0.213 0.000 1.307 845 L HN 0.271 nan 8.230 nan 0.000 0.545 846 E N 1.759 121.858 120.200 -0.169 0.000 2.517 846 E HA -0.346 4.004 4.350 -0.000 0.000 0.251 846 E C 0.738 177.281 176.600 -0.095 0.000 0.990 846 E CA 2.298 58.627 56.400 -0.120 0.000 1.133 846 E CB -0.542 29.101 29.700 -0.094 0.000 1.088 846 E HN 0.586 nan 8.360 nan 0.000 0.516 847 D N 1.060 121.416 120.400 -0.073 0.000 2.488 847 D HA -0.063 4.577 4.640 -0.000 0.000 0.260 847 D C -0.005 176.269 176.300 -0.043 0.000 1.273 847 D CA 0.476 54.448 54.000 -0.047 0.000 0.912 847 D CB -0.780 40.006 40.800 -0.023 0.000 0.982 847 D HN 0.183 nan 8.370 nan 0.000 0.492 848 I N 1.465 121.989 120.570 -0.075 0.000 2.337 848 I HA 0.225 4.395 4.170 -0.000 0.000 0.285 848 I C 0.386 176.444 176.117 -0.100 0.000 1.041 848 I CA -0.590 60.657 61.300 -0.088 0.000 1.199 848 I CB 0.583 38.514 38.000 -0.115 0.000 1.370 848 I HN 0.071 nan 8.210 nan 0.000 0.470 849 M N 5.291 124.863 119.600 -0.046 0.000 2.727 849 M HA 0.650 5.130 4.480 -0.000 0.000 0.300 849 M C -1.410 174.888 176.300 -0.004 0.000 1.246 849 M CA -0.800 54.475 55.300 -0.041 0.000 0.835 849 M CB 2.328 34.930 32.600 0.003 0.000 1.755 849 M HN 0.005 nan 8.290 nan 0.000 0.473 850 V N 2.541 122.445 119.914 -0.017 0.000 2.353 850 V HA 0.278 4.398 4.120 -0.000 0.000 0.264 850 V C -0.040 176.156 176.094 0.170 0.000 1.049 850 V CA -0.266 62.052 62.300 0.029 0.000 0.896 850 V CB -0.487 31.341 31.823 0.009 0.000 1.025 850 V HN 0.781 nan 8.190 nan 0.000 0.475 851 H N 3.433 122.492 119.070 -0.018 0.000 2.603 851 H HA 0.145 4.701 4.556 -0.000 0.000 0.370 851 H C 0.413 175.797 175.328 0.092 0.000 1.225 851 H CA -0.543 55.490 56.048 -0.024 0.000 1.410 851 H CB 1.102 30.867 29.762 0.006 0.000 1.495 851 H HN 0.599 nan 8.280 nan 0.000 0.602 852 Y N 0.684 121.093 120.300 0.181 0.000 2.738 852 Y HA -0.194 4.356 4.550 -0.000 0.000 0.293 852 Y C 1.069 177.032 175.900 0.106 0.000 1.156 852 Y CA 0.361 58.533 58.100 0.120 0.000 1.410 852 Y CB -0.048 38.467 38.460 0.091 0.000 0.966 852 Y HN 0.667 nan 8.280 nan 0.000 0.568 853 D N -3.111 117.458 120.400 0.282 0.000 2.469 853 D HA 0.003 4.643 4.640 -0.000 0.000 0.213 853 D C 0.446 176.842 176.300 0.160 0.000 1.135 853 D CA -0.016 54.096 54.000 0.188 0.000 0.834 853 D CB -0.142 40.758 40.800 0.167 0.000 1.009 853 D HN 0.028 nan 8.370 nan 0.000 0.507 854 N N -0.979 117.826 118.700 0.176 0.000 2.979 854 N HA -0.166 4.574 4.740 -0.000 0.000 0.234 854 N C -0.372 175.220 175.510 0.136 0.000 0.938 854 N CA 1.107 54.247 53.050 0.150 0.000 0.961 854 N CB -1.409 37.155 38.487 0.129 0.000 1.089 854 N HN 0.421 nan 8.380 nan 0.000 0.576 855 T N -0.016 114.605 114.554 0.111 0.000 2.788 855 T HA 0.356 4.706 4.350 -0.000 0.000 0.287 855 T C 0.034 174.699 174.700 -0.059 0.000 1.007 855 T CA 0.625 62.759 62.100 0.057 0.000 1.005 855 T CB 1.026 69.920 68.868 0.043 0.000 1.012 855 T HN 0.080 nan 8.240 nan 0.000 0.530 856 T N 4.094 118.573 114.554 -0.126 0.000 2.864 856 T HA 0.549 4.898 4.350 -0.000 0.000 0.299 856 T C -0.249 174.289 174.700 -0.271 0.000 1.011 856 T CA -0.632 61.360 62.100 -0.180 0.000 0.975 856 T CB 0.622 69.443 68.868 -0.077 0.000 0.962 856 T HN 0.574 nan 8.240 nan 0.000 0.448 857 R N 2.392 122.645 120.500 -0.412 0.000 3.212 857 R HA 0.651 4.991 4.340 -0.000 0.000 0.240 857 R C -0.252 175.964 176.300 -0.140 0.000 1.470 857 R CA -1.153 54.760 56.100 -0.311 0.000 1.041 857 R CB 1.142 31.197 30.300 -0.408 0.000 1.494 857 R HN 0.730 nan 8.270 nan 0.000 0.502 858 N N -1.921 116.745 118.700 -0.055 0.000 3.157 858 N HA 0.089 4.829 4.740 -0.000 0.000 0.291 858 N C 0.224 175.764 175.510 0.050 0.000 1.515 858 N CA -0.486 52.567 53.050 0.004 0.000 0.807 858 N CB 1.516 39.992 38.487 -0.019 0.000 1.672 858 N HN 0.440 nan 8.380 nan 0.000 0.592 859 S N -0.319 115.403 115.700 0.038 0.000 2.488 859 S HA -0.129 4.341 4.470 -0.000 0.000 0.246 859 S C 1.434 176.061 174.600 0.045 0.000 0.992 859 S CA 0.790 59.014 58.200 0.040 0.000 0.963 859 S CB -0.736 62.480 63.200 0.027 0.000 0.754 859 S HN 0.524 nan 8.310 nan 0.000 0.519 860 L N 0.342 121.589 121.223 0.040 0.000 2.529 860 L HA 0.320 4.660 4.340 -0.000 0.000 0.223 860 L C 2.086 178.983 176.870 0.046 0.000 1.113 860 L CA 0.364 55.227 54.840 0.039 0.000 0.861 860 L CB -0.802 41.275 42.059 0.030 0.000 1.012 860 L HN 0.556 nan 8.230 nan 0.000 0.461 861 G N 0.228 109.062 108.800 0.056 0.000 2.162 861 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.260 861 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.260 861 G C 0.077 174.984 174.900 0.011 0.000 0.976 861 G CA 0.048 45.188 45.100 0.067 0.000 0.655 861 G HN 0.384 nan 8.290 nan 0.000 0.533 862 N N 0.222 118.920 118.700 -0.004 0.000 2.492 862 N HA 0.408 5.148 4.740 -0.000 0.000 0.262 862 N C 0.726 176.187 175.510 -0.082 0.000 1.202 862 N CA -0.028 53.008 53.050 -0.024 0.000 0.926 862 N CB 1.302 39.780 38.487 -0.015 0.000 1.078 862 N HN 0.203 nan 8.380 nan 0.000 0.454 863 V N 3.050 122.900 119.914 -0.107 0.000 2.924 863 V HA 0.137 4.257 4.120 -0.000 0.000 0.305 863 V C 1.424 177.367 176.094 -0.252 0.000 1.073 863 V CA 0.273 62.444 62.300 -0.216 0.000 1.098 863 V CB 0.563 32.191 31.823 -0.326 0.000 1.000 863 V HN 0.613 nan 8.190 nan 0.000 0.484 864 I N 1.059 121.465 120.570 -0.273 0.000 4.670 864 I HA 0.299 4.469 4.170 -0.000 0.000 0.339 864 I C 0.167 176.157 176.117 -0.212 0.000 1.310 864 I CA 0.251 61.425 61.300 -0.209 0.000 1.288 864 I CB 0.495 38.411 38.000 -0.139 0.000 1.427 864 I HN 0.564 nan 8.210 nan 0.000 0.494 865 Q N -0.134 119.504 119.800 -0.270 0.000 2.507 865 Q HA 0.308 4.648 4.340 -0.000 0.000 0.242 865 Q C -0.466 175.443 176.000 -0.151 0.000 0.911 865 Q CA -0.328 55.376 55.803 -0.165 0.000 1.019 865 Q CB 1.842 30.584 28.738 0.008 0.000 1.523 865 Q HN 0.070 nan 8.270 nan 0.000 0.459 866 F N 1.129 121.103 119.950 0.040 0.000 2.171 866 F HA -0.025 4.502 4.527 -0.000 0.000 0.300 866 F C 0.845 176.674 175.800 0.049 0.000 1.090 866 F CA 0.918 58.939 58.000 0.035 0.000 1.293 866 F CB 0.491 39.511 39.000 0.034 0.000 1.013 866 F HN 0.372 nan 8.300 nan 0.000 0.486 867 I N -0.959 119.753 120.570 0.237 0.000 2.503 867 I HA 0.093 4.263 4.170 -0.000 0.000 0.282 867 I C -0.804 175.411 176.117 0.163 0.000 1.059 867 I CA -1.065 60.340 61.300 0.174 0.000 1.081 867 I CB 0.648 38.730 38.000 0.137 0.000 1.210 867 I HN -0.120 nan 8.210 nan 0.000 0.450 868 Y N 6.854 127.180 120.300 0.043 0.000 2.996 868 Y HA 0.183 4.733 4.550 -0.000 0.000 0.347 868 Y C 1.493 177.416 175.900 0.038 0.000 1.276 868 Y CA 1.228 59.344 58.100 0.027 0.000 1.601 868 Y CB 0.041 38.512 38.460 0.017 0.000 1.193 868 Y HN 0.919 nan 8.280 nan 0.000 0.582 869 G N 4.267 112.914 108.800 -0.255 0.000 2.175 869 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.265 869 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.265 869 G C 0.336 175.200 174.900 -0.060 0.000 0.979 869 G CA 0.486 45.394 45.100 -0.320 0.000 0.663 869 G HN 0.977 nan 8.290 nan 0.000 0.533 870 E N -0.820 119.387 120.200 0.011 0.000 2.513 870 E HA -0.227 4.123 4.350 -0.000 0.000 0.257 870 E C 0.440 177.037 176.600 -0.005 0.000 1.098 870 E CA 1.034 57.462 56.400 0.048 0.000 0.752 870 E CB -1.043 28.710 29.700 0.090 0.000 1.324 870 E HN 1.119 nan 8.360 nan 0.000 0.403 871 D N -2.450 117.927 120.400 -0.038 0.000 3.603 871 D HA -0.008 4.632 4.640 -0.000 0.000 0.284 871 D C 0.687 176.937 176.300 -0.083 0.000 1.200 871 D CA 0.286 54.256 54.000 -0.050 0.000 0.850 871 D CB -1.046 39.705 40.800 -0.081 0.000 1.770 871 D HN 0.326 nan 8.370 nan 0.000 0.383 872 G N 1.242 110.012 108.800 -0.050 0.000 2.485 872 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.315 872 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.315 872 G C 0.158 174.995 174.900 -0.105 0.000 0.914 872 G CA 1.304 46.392 45.100 -0.021 0.000 0.889 872 G HN 0.423 nan 8.290 nan 0.000 0.512 873 M N 0.116 119.594 119.600 -0.204 0.000 2.423 873 M HA 0.423 4.903 4.480 -0.000 0.000 0.335 873 M C -0.188 175.988 176.300 -0.207 0.000 1.177 873 M CA -1.445 53.699 55.300 -0.260 0.000 1.038 873 M CB 1.616 34.039 32.600 -0.295 0.000 1.641 873 M HN 0.096 nan 8.290 nan 0.000 0.455 874 D N 2.429 122.704 120.400 -0.208 0.000 2.316 874 D HA 0.339 4.979 4.640 -0.000 0.000 0.245 874 D C 0.734 176.986 176.300 -0.079 0.000 1.171 874 D CA 0.109 54.059 54.000 -0.083 0.000 0.856 874 D CB 1.259 41.970 40.800 -0.149 0.000 1.090 874 D HN 0.734 nan 8.370 nan 0.000 0.476 875 A N 4.266 127.089 122.820 0.004 0.000 2.054 875 A HA -0.236 4.084 4.320 -0.000 0.000 0.223 875 A C 2.116 179.752 177.584 0.087 0.000 1.169 875 A CA 2.257 54.306 52.037 0.019 0.000 0.655 875 A CB -0.574 18.447 19.000 0.034 0.000 0.812 875 A HN 0.703 nan 8.150 nan 0.000 0.462 876 A N -0.749 122.151 122.820 0.133 0.000 1.940 876 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 876 A C 1.244 179.018 177.584 0.316 0.000 1.176 876 A CA 1.193 53.363 52.037 0.221 0.000 0.631 876 A CB -0.728 18.447 19.000 0.292 0.000 0.814 876 A HN 0.786 nan 8.150 nan 0.000 0.446 877 H N -0.814 118.266 119.070 0.017 0.000 2.638 877 H HA 0.604 5.160 4.556 -0.000 0.000 0.242 877 H C -1.109 174.212 175.328 -0.012 0.000 1.610 877 H CA -0.474 55.577 56.048 0.004 0.000 1.275 877 H CB -0.134 29.595 29.762 -0.056 0.000 1.583 877 H HN 0.286 nan 8.280 nan 0.000 0.556 878 I N 1.517 122.185 120.570 0.165 0.000 2.787 878 I HA 0.219 4.389 4.170 -0.000 0.000 0.294 878 I C -0.914 175.288 176.117 0.141 0.000 1.365 878 I CA -0.704 60.661 61.300 0.109 0.000 1.029 878 I CB 2.977 41.031 38.000 0.090 0.000 1.313 878 I HN 0.398 nan 8.210 nan 0.000 0.431 879 E N 3.200 123.453 120.200 0.088 0.000 2.383 879 E HA 0.338 4.688 4.350 -0.000 0.000 0.275 879 E C -1.294 175.337 176.600 0.052 0.000 0.918 879 E CA -1.155 55.274 56.400 0.048 0.000 0.764 879 E CB 2.604 32.270 29.700 -0.057 0.000 1.252 879 E HN 0.345 nan 8.360 nan 0.000 0.449 880 K N 2.633 123.048 120.400 0.025 0.000 2.021 880 K HA 0.013 4.333 4.320 -0.000 0.000 0.238 880 K C -0.062 176.562 176.600 0.040 0.000 1.149 880 K CA 0.145 56.441 56.287 0.016 0.000 1.105 880 K CB 0.047 32.522 32.500 -0.042 0.000 1.246 880 K HN 0.290 nan 8.250 nan 0.000 0.307 881 Q N 0.237 120.090 119.800 0.089 0.000 2.407 881 Q HA 0.106 4.446 4.340 -0.000 0.000 0.214 881 Q C -0.148 175.921 176.000 0.116 0.000 1.043 881 Q CA 0.033 55.894 55.803 0.096 0.000 0.983 881 Q CB 1.399 30.212 28.738 0.126 0.000 1.211 881 Q HN 0.300 nan 8.270 nan 0.000 0.564 882 S N 0.495 116.254 115.700 0.097 0.000 2.659 882 S HA 0.376 4.846 4.470 -0.000 0.000 0.312 882 S C -0.556 174.094 174.600 0.084 0.000 1.114 882 S CA -0.637 57.623 58.200 0.100 0.000 1.063 882 S CB 0.216 63.456 63.200 0.067 0.000 0.996 882 S HN 0.442 nan 8.310 nan 0.000 0.478 883 L N 5.429 126.705 121.223 0.088 0.000 2.480 883 L HA 0.240 4.580 4.340 -0.000 0.000 0.243 883 L C 0.924 177.800 176.870 0.010 0.000 1.315 883 L CA -0.520 54.331 54.840 0.019 0.000 1.231 883 L CB -0.272 41.752 42.059 -0.057 0.000 1.444 883 L HN 0.700 nan 8.230 nan 0.000 0.409 884 D N 0.237 120.657 120.400 0.034 0.000 2.248 884 D HA -0.245 4.395 4.640 -0.000 0.000 0.189 884 D C 1.459 177.753 176.300 -0.009 0.000 1.011 884 D CA 1.911 55.932 54.000 0.035 0.000 0.868 884 D CB -0.226 40.627 40.800 0.087 0.000 0.931 884 D HN 0.399 nan 8.370 nan 0.000 0.449 885 T N 0.695 115.219 114.554 -0.051 0.000 3.288 885 T HA -0.079 4.270 4.350 -0.000 0.000 0.267 885 T C 1.629 176.337 174.700 0.014 0.000 1.201 885 T CA 0.232 62.287 62.100 -0.075 0.000 1.036 885 T CB -0.192 68.627 68.868 -0.081 0.000 0.891 885 T HN 0.319 nan 8.240 nan 0.000 0.571 886 I N -1.156 119.417 120.570 0.004 0.000 3.873 886 I HA 0.342 4.512 4.170 -0.000 0.000 0.284 886 I C 1.647 177.804 176.117 0.067 0.000 1.186 886 I CA 0.147 61.454 61.300 0.012 0.000 1.362 886 I CB 0.100 38.069 38.000 -0.052 0.000 1.432 886 I HN 0.276 nan 8.210 nan 0.000 0.454 887 G N 0.231 109.054 108.800 0.038 0.000 2.624 887 G HA2 0.424 4.384 3.960 -0.000 0.000 0.217 887 G HA3 0.424 4.384 3.960 -0.000 0.000 0.217 887 G C 0.103 175.076 174.900 0.122 0.000 1.506 887 G CA 0.263 45.401 45.100 0.063 0.000 1.072 887 G HN 0.702 nan 8.290 nan 0.000 0.568 888 G N -1.527 107.339 108.800 0.110 0.000 2.881 888 G HA2 0.209 4.169 3.960 -0.000 0.000 0.681 888 G HA3 0.209 4.169 3.960 -0.000 0.000 0.681 888 G C 0.296 175.267 174.900 0.118 0.000 1.567 888 G CA 0.344 45.507 45.100 0.105 0.000 1.013 888 G HN 1.895 nan 8.290 nan 0.000 0.580 889 S N 0.255 116.012 115.700 0.095 0.000 2.576 889 S HA 0.340 4.809 4.470 -0.000 0.000 0.276 889 S C 1.094 175.743 174.600 0.082 0.000 1.339 889 S CA 0.404 58.649 58.200 0.075 0.000 1.039 889 S CB 1.659 64.894 63.200 0.059 0.000 0.902 889 S HN 0.605 nan 8.310 nan 0.000 0.516 890 D N 1.765 122.187 120.400 0.038 0.000 2.190 890 D HA -0.137 4.503 4.640 -0.000 0.000 0.200 890 D C 2.053 178.403 176.300 0.083 0.000 0.992 890 D CA 1.627 55.634 54.000 0.012 0.000 0.854 890 D CB -0.479 40.302 40.800 -0.031 0.000 0.936 890 D HN 0.719 nan 8.370 nan 0.000 0.462 891 A N 1.670 124.536 122.820 0.077 0.000 1.827 891 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 891 A C 2.449 180.108 177.584 0.125 0.000 1.212 891 A CA 2.613 54.703 52.037 0.088 0.000 0.624 891 A CB -1.246 17.790 19.000 0.060 0.000 0.853 891 A HN 0.222 nan 8.150 nan 0.000 0.450 892 A N -1.379 121.504 122.820 0.106 0.000 1.969 892 A HA -0.287 4.032 4.320 -0.000 0.000 0.223 892 A C 2.056 179.725 177.584 0.143 0.000 1.218 892 A CA 2.326 54.423 52.037 0.101 0.000 0.667 892 A CB -1.087 17.962 19.000 0.081 0.000 0.826 892 A HN 0.857 nan 8.150 nan 0.000 0.472 893 F N 0.602 120.557 119.950 0.008 0.000 2.063 893 F HA -0.296 4.230 4.527 -0.000 0.000 0.298 893 F C 2.378 178.231 175.800 0.087 0.000 1.105 893 F CA 2.574 60.550 58.000 -0.040 0.000 1.215 893 F CB -0.297 38.637 39.000 -0.110 0.000 0.972 893 F HN 0.417 nan 8.300 nan 0.000 0.483 894 E N 0.025 120.469 120.200 0.408 0.000 2.021 894 E HA -0.343 4.007 4.350 -0.000 0.000 0.200 894 E C 2.179 178.872 176.600 0.155 0.000 1.015 894 E CA 1.727 58.338 56.400 0.352 0.000 0.824 894 E CB -0.469 29.362 29.700 0.218 0.000 0.762 894 E HN 0.369 nan 8.360 nan 0.000 0.454 895 K N 0.717 121.157 120.400 0.067 0.000 2.366 895 K HA -0.233 4.087 4.320 -0.000 0.000 0.202 895 K C 2.033 178.631 176.600 -0.004 0.000 1.045 895 K CA 1.307 57.590 56.287 -0.007 0.000 0.934 895 K CB 0.051 32.551 32.500 -0.000 0.000 0.746 895 K HN -0.048 nan 8.250 nan 0.000 0.470 896 R N -1.640 118.893 120.500 0.054 0.000 2.225 896 R HA 0.039 4.379 4.340 -0.000 0.000 0.194 896 R C 1.039 177.303 176.300 -0.060 0.000 0.949 896 R CA 0.246 56.355 56.100 0.015 0.000 1.088 896 R CB 0.293 30.657 30.300 0.106 0.000 1.106 896 R HN 0.145 nan 8.270 nan 0.000 0.566 897 Y N -0.111 120.055 120.300 -0.225 0.000 2.462 897 Y HA 0.320 4.870 4.550 -0.000 0.000 0.253 897 Y C 0.410 176.394 175.900 0.140 0.000 1.095 897 Y CA -0.352 57.627 58.100 -0.202 0.000 1.283 897 Y CB 0.151 38.251 38.460 -0.601 0.000 1.138 897 Y HN -0.194 nan 8.280 nan 0.000 0.522 898 R N 1.386 122.155 120.500 0.449 0.000 2.401 898 R HA 0.403 4.743 4.340 -0.000 0.000 0.299 898 R C -1.417 174.942 176.300 0.099 0.000 1.064 898 R CA -0.268 56.041 56.100 0.350 0.000 1.000 898 R CB 0.067 30.434 30.300 0.111 0.000 0.973 898 R HN -0.098 nan 8.270 nan 0.000 0.438 899 V N 5.184 125.145 119.914 0.078 0.000 2.488 899 V HA 0.270 4.390 4.120 -0.000 0.000 0.293 899 V C -0.925 175.179 176.094 0.016 0.000 1.027 899 V CA -0.916 61.401 62.300 0.029 0.000 0.862 899 V CB 1.736 33.573 31.823 0.024 0.000 1.008 899 V HN 0.709 nan 8.190 nan 0.000 0.428 900 D N 4.259 124.679 120.400 0.033 0.000 2.471 900 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 900 D C 0.609 176.922 176.300 0.022 0.000 1.116 900 D CA -0.371 53.644 54.000 0.026 0.000 0.853 900 D CB 2.103 42.938 40.800 0.058 0.000 1.123 900 D HN 0.396 nan 8.370 nan 0.000 0.540 901 L N 2.975 124.200 121.223 0.003 0.000 2.341 901 L HA 0.101 4.441 4.340 -0.000 0.000 0.214 901 L C 1.495 178.359 176.870 -0.009 0.000 1.115 901 L CA 0.480 55.319 54.840 -0.003 0.000 0.820 901 L CB 0.015 42.069 42.059 -0.009 0.000 0.944 901 L HN 0.355 nan 8.230 nan 0.000 0.452 902 L N 0.831 122.046 121.223 -0.015 0.000 2.955 902 L HA 0.210 4.550 4.340 -0.000 0.000 0.238 902 L C -0.179 176.669 176.870 -0.036 0.000 1.359 902 L CA 0.144 54.969 54.840 -0.024 0.000 1.214 902 L CB -1.041 41.002 42.059 -0.027 0.000 1.600 902 L HN 0.325 nan 8.230 nan 0.000 0.442 903 N N -1.536 117.146 118.700 -0.030 0.000 3.126 903 N HA 0.023 4.762 4.740 -0.000 0.000 0.233 903 N C 0.339 175.832 175.510 -0.027 0.000 1.069 903 N CA -0.244 52.774 53.050 -0.053 0.000 1.071 903 N CB 1.434 39.861 38.487 -0.100 0.000 1.683 903 N HN -0.143 nan 8.380 nan 0.000 0.586 904 T N 0.757 115.290 114.554 -0.035 0.000 2.833 904 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 904 T C 0.523 175.231 174.700 0.014 0.000 1.054 904 T CA 1.249 63.341 62.100 -0.013 0.000 1.135 904 T CB -0.098 68.759 68.868 -0.019 0.000 0.869 904 T HN 0.520 nan 8.240 nan 0.000 0.466 905 D N -0.276 120.136 120.400 0.019 0.000 2.355 905 D HA 0.023 4.663 4.640 -0.000 0.000 0.206 905 D C 0.932 177.437 176.300 0.343 0.000 1.010 905 D CA 0.658 54.735 54.000 0.128 0.000 0.875 905 D CB -0.001 40.862 40.800 0.104 0.000 0.966 905 D HN 0.385 nan 8.370 nan 0.000 0.512 906 H N -0.295 118.763 119.070 -0.021 0.000 2.505 906 H HA 0.246 4.801 4.556 -0.000 0.000 0.286 906 H C 0.454 175.766 175.328 -0.026 0.000 1.072 906 H CA -0.308 55.726 56.048 -0.023 0.000 1.141 906 H CB 0.159 29.901 29.762 -0.033 0.000 1.550 906 H HN -0.081 nan 8.280 nan 0.000 0.547 907 T N 0.106 114.713 114.554 0.089 0.000 2.880 907 T HA 0.484 4.834 4.350 -0.000 0.000 0.279 907 T C 0.036 174.742 174.700 0.011 0.000 0.990 907 T CA -0.755 61.365 62.100 0.034 0.000 0.938 907 T CB 0.517 69.394 68.868 0.015 0.000 1.206 907 T HN 0.124 nan 8.240 nan 0.000 0.573 908 L N 2.956 124.175 121.223 -0.008 0.000 2.261 908 L HA 0.331 4.671 4.340 -0.000 0.000 0.289 908 L C 0.534 177.394 176.870 -0.017 0.000 1.059 908 L CA -0.744 54.082 54.840 -0.023 0.000 0.816 908 L CB 0.637 42.675 42.059 -0.036 0.000 1.191 908 L HN 0.650 nan 8.230 nan 0.000 0.431 909 D N 7.316 127.707 120.400 -0.015 0.000 2.412 909 D HA 0.002 4.641 4.640 -0.000 0.000 0.257 909 D C -1.521 174.770 176.300 -0.015 0.000 1.217 909 D CA -1.162 52.832 54.000 -0.010 0.000 0.897 909 D CB 1.366 42.161 40.800 -0.009 0.000 1.132 909 D HN 0.340 nan 8.370 nan 0.000 0.493 910 P HA -0.115 nan 4.420 nan 0.000 0.280 910 P C 0.770 178.063 177.300 -0.011 0.000 1.359 910 P CA 0.415 63.506 63.100 -0.015 0.000 0.744 910 P CB -0.304 31.388 31.700 -0.012 0.000 1.236 911 S N -1.746 113.948 115.700 -0.010 0.000 2.503 911 S HA 0.071 4.541 4.470 -0.000 0.000 0.215 911 S C 1.714 176.312 174.600 -0.004 0.000 1.003 911 S CA -0.111 58.087 58.200 -0.004 0.000 0.910 911 S CB -0.785 62.414 63.200 -0.001 0.000 0.790 911 S HN 0.135 nan 8.310 nan 0.000 0.514 912 L N -0.123 121.091 121.223 -0.015 0.000 2.200 912 L HA 0.428 4.768 4.340 -0.000 0.000 0.200 912 L C 0.968 177.822 176.870 -0.027 0.000 1.072 912 L CA 0.096 54.923 54.840 -0.021 0.000 0.787 912 L CB -0.440 41.595 42.059 -0.040 0.000 0.957 912 L HN 0.294 nan 8.230 nan 0.000 0.459 913 L N -0.639 120.565 121.223 -0.033 0.000 2.365 913 L HA 0.258 4.598 4.340 -0.000 0.000 0.267 913 L C 0.926 177.780 176.870 -0.027 0.000 1.033 913 L CA 0.208 55.025 54.840 -0.038 0.000 0.802 913 L CB 1.369 43.400 42.059 -0.047 0.000 1.267 913 L HN 0.051 nan 8.230 nan 0.000 0.457 914 E N -0.718 119.465 120.200 -0.029 0.000 2.110 914 E HA -0.040 4.309 4.350 -0.000 0.000 0.193 914 E C 1.380 177.968 176.600 -0.021 0.000 0.950 914 E CA 0.858 57.245 56.400 -0.021 0.000 0.840 914 E CB 0.180 29.868 29.700 -0.020 0.000 0.809 914 E HN 0.822 nan 8.360 nan 0.000 0.465 915 S N 0.050 115.735 115.700 -0.026 0.000 2.727 915 S HA 0.072 4.542 4.470 -0.000 0.000 0.226 915 S C 1.655 176.241 174.600 -0.024 0.000 0.963 915 S CA 0.270 58.456 58.200 -0.024 0.000 0.950 915 S CB -0.103 63.081 63.200 -0.028 0.000 0.779 915 S HN 0.376 nan 8.310 nan 0.000 0.532 916 G N 3.403 112.189 108.800 -0.024 0.000 2.721 916 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.218 916 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.218 916 G C 1.758 176.648 174.900 -0.017 0.000 1.265 916 G CA 1.890 46.977 45.100 -0.022 0.000 0.796 916 G HN 0.833 nan 8.290 nan 0.000 0.620 917 S N 1.730 117.421 115.700 -0.014 0.000 2.372 917 S HA -0.243 4.227 4.470 -0.000 0.000 0.227 917 S C 2.039 176.631 174.600 -0.012 0.000 1.044 917 S CA 2.150 60.343 58.200 -0.011 0.000 1.050 917 S CB -0.679 62.515 63.200 -0.009 0.000 0.901 917 S HN 0.804 nan 8.310 nan 0.000 0.447 918 E N 0.727 120.919 120.200 -0.013 0.000 2.512 918 E HA 0.197 4.547 4.350 -0.000 0.000 0.195 918 E C 1.494 178.086 176.600 -0.014 0.000 1.083 918 E CA 0.435 56.828 56.400 -0.013 0.000 0.873 918 E CB -0.369 29.324 29.700 -0.012 0.000 0.897 918 E HN 0.673 nan 8.360 nan 0.000 0.514 919 I N 0.207 120.768 120.570 -0.016 0.000 3.616 919 I HA 0.067 4.236 4.170 -0.000 0.000 0.296 919 I C 1.028 177.137 176.117 -0.014 0.000 1.226 919 I CA -0.454 60.836 61.300 -0.017 0.000 1.394 919 I CB 0.378 38.366 38.000 -0.021 0.000 1.171 919 I HN 0.198 nan 8.210 nan 0.000 0.442 920 L N 2.532 123.747 121.223 -0.013 0.000 2.747 920 L HA -0.151 4.188 4.340 -0.000 0.000 0.286 920 L C 1.256 178.119 176.870 -0.013 0.000 1.216 920 L CA 1.305 56.138 54.840 -0.012 0.000 0.930 920 L CB 0.069 42.121 42.059 -0.011 0.000 1.216 920 L HN 0.595 nan 8.230 nan 0.000 0.486 921 G N 2.522 111.314 108.800 -0.013 0.000 2.253 921 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.251 921 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.251 921 G C 0.362 175.254 174.900 -0.013 0.000 0.998 921 G CA 0.219 45.311 45.100 -0.014 0.000 0.621 921 G HN 0.805 nan 8.290 nan 0.000 0.524 922 D N 1.086 121.478 120.400 -0.013 0.000 2.433 922 D HA 0.072 4.711 4.640 -0.000 0.000 0.274 922 D C 1.642 177.935 176.300 -0.011 0.000 1.344 922 D CA 0.124 54.117 54.000 -0.012 0.000 0.989 922 D CB 0.026 40.818 40.800 -0.013 0.000 1.116 922 D HN 0.327 nan 8.370 nan 0.000 0.533 923 L N 4.043 125.259 121.223 -0.011 0.000 2.465 923 L HA -0.105 4.235 4.340 -0.000 0.000 0.224 923 L C 2.264 179.130 176.870 -0.007 0.000 1.145 923 L CA 0.503 55.337 54.840 -0.010 0.000 0.834 923 L CB 0.065 42.118 42.059 -0.010 0.000 0.944 923 L HN 0.264 nan 8.230 nan 0.000 0.451 924 K N -0.143 120.253 120.400 -0.007 0.000 2.076 924 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 924 K C 1.956 178.553 176.600 -0.006 0.000 1.051 924 K CA 0.950 57.234 56.287 -0.006 0.000 0.949 924 K CB -0.094 32.402 32.500 -0.007 0.000 0.726 924 K HN 0.332 nan 8.250 nan 0.000 0.443 925 L N 0.999 122.217 121.223 -0.008 0.000 2.217 925 L HA -0.083 4.256 4.340 -0.000 0.000 0.211 925 L C 2.216 179.084 176.870 -0.004 0.000 1.107 925 L CA 0.674 55.509 54.840 -0.008 0.000 0.783 925 L CB -0.184 41.867 42.059 -0.014 0.000 0.919 925 L HN 0.117 nan 8.230 nan 0.000 0.442 926 Q N -0.308 119.490 119.800 -0.004 0.000 2.515 926 Q HA -0.056 4.284 4.340 -0.000 0.000 0.212 926 Q C 1.987 177.990 176.000 0.005 0.000 0.970 926 Q CA 0.698 56.501 55.803 -0.001 0.000 0.941 926 Q CB 0.180 28.913 28.738 -0.007 0.000 0.998 926 Q HN 0.393 nan 8.270 nan 0.000 0.518 927 V N -0.251 119.666 119.914 0.005 0.000 2.331 927 V HA -0.172 3.948 4.120 -0.000 0.000 0.242 927 V C 2.290 178.395 176.094 0.018 0.000 1.034 927 V CA 0.945 63.251 62.300 0.010 0.000 1.027 927 V CB -0.547 31.279 31.823 0.005 0.000 0.667 927 V HN 0.221 nan 8.190 nan 0.000 0.457 928 L N -0.304 120.927 121.223 0.013 0.000 1.994 928 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 928 L C 2.502 179.390 176.870 0.030 0.000 1.071 928 L CA 1.180 56.029 54.840 0.016 0.000 0.745 928 L CB -0.673 41.389 42.059 0.005 0.000 0.892 928 L HN 0.285 nan 8.230 nan 0.000 0.431 929 L N -0.103 121.136 121.223 0.026 0.000 2.263 929 L HA -0.262 4.078 4.340 -0.000 0.000 0.216 929 L C 1.997 178.917 176.870 0.083 0.000 1.111 929 L CA 1.846 56.712 54.840 0.043 0.000 0.773 929 L CB -1.030 41.044 42.059 0.024 0.000 0.906 929 L HN 0.381 nan 8.230 nan 0.000 0.439 930 D N -0.779 119.661 120.400 0.067 0.000 2.197 930 D HA -0.108 4.532 4.640 -0.000 0.000 0.212 930 D C 1.882 178.253 176.300 0.119 0.000 0.963 930 D CA 0.602 54.657 54.000 0.090 0.000 0.864 930 D CB 0.374 41.201 40.800 0.045 0.000 1.009 930 D HN 0.425 nan 8.370 nan 0.000 0.479 931 E N 1.144 121.390 120.200 0.077 0.000 2.097 931 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 931 E C 1.937 178.589 176.600 0.086 0.000 1.000 931 E CA 1.055 57.496 56.400 0.068 0.000 0.804 931 E CB -0.061 29.664 29.700 0.041 0.000 0.740 931 E HN 0.402 nan 8.360 nan 0.000 0.454 932 E N 0.560 120.814 120.200 0.090 0.000 2.021 932 E HA -0.283 4.067 4.350 -0.000 0.000 0.200 932 E C 2.039 178.719 176.600 0.134 0.000 1.015 932 E CA 1.358 57.812 56.400 0.090 0.000 0.824 932 E CB -0.390 29.359 29.700 0.082 0.000 0.762 932 E HN 0.365 nan 8.360 nan 0.000 0.454 933 Y N 1.208 121.555 120.300 0.079 0.000 2.315 933 Y HA -0.189 4.361 4.550 -0.000 0.000 0.288 933 Y C 2.070 178.039 175.900 0.114 0.000 1.154 933 Y CA 1.596 59.772 58.100 0.126 0.000 1.229 933 Y CB 0.207 38.737 38.460 0.117 0.000 0.980 933 Y HN 0.012 nan 8.280 nan 0.000 0.540 934 K N -0.166 120.387 120.400 0.254 0.000 2.025 934 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 934 K C 2.012 178.657 176.600 0.075 0.000 1.049 934 K CA 1.454 57.839 56.287 0.164 0.000 0.933 934 K CB -0.492 32.073 32.500 0.110 0.000 0.714 934 K HN 0.334 nan 8.250 nan 0.000 0.438 935 Q N 1.370 121.204 119.800 0.057 0.000 2.016 935 Q HA -0.017 4.323 4.340 -0.000 0.000 0.200 935 Q C 2.127 178.131 176.000 0.007 0.000 0.978 935 Q CA 1.283 57.101 55.803 0.025 0.000 0.833 935 Q CB -0.365 28.384 28.738 0.019 0.000 0.895 935 Q HN 0.248 nan 8.270 nan 0.000 0.427 936 L N -0.515 120.712 121.223 0.007 0.000 2.081 936 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 936 L C 2.208 179.099 176.870 0.035 0.000 1.080 936 L CA 1.084 55.935 54.840 0.020 0.000 0.754 936 L CB -0.645 41.422 42.059 0.014 0.000 0.893 936 L HN 0.130 nan 8.230 nan 0.000 0.433 937 V N -0.158 119.722 119.914 -0.056 0.000 2.591 937 V HA -0.208 3.911 4.120 -0.000 0.000 0.249 937 V C 2.529 178.553 176.094 -0.117 0.000 1.053 937 V CA 1.552 63.737 62.300 -0.192 0.000 1.068 937 V CB -0.470 31.237 31.823 -0.194 0.000 0.689 937 V HN 0.465 nan 8.190 nan 0.000 0.462 938 K N 0.371 120.748 120.400 -0.039 0.000 2.057 938 K HA -0.230 4.089 4.320 -0.000 0.000 0.207 938 K C 1.727 178.347 176.600 0.034 0.000 1.049 938 K CA 1.938 58.223 56.287 -0.003 0.000 0.931 938 K CB -0.228 32.290 32.500 0.030 0.000 0.714 938 K HN 0.388 nan 8.250 nan 0.000 0.440 939 D N 0.756 121.164 120.400 0.014 0.000 2.087 939 D HA -0.195 4.444 4.640 -0.000 0.000 0.192 939 D C 1.992 178.293 176.300 0.000 0.000 0.993 939 D CA 1.204 55.206 54.000 0.003 0.000 0.828 939 D CB -0.316 40.447 40.800 -0.062 0.000 0.968 939 D HN 0.161 nan 8.370 nan 0.000 0.448 940 R N 1.107 121.574 120.500 -0.056 0.000 2.136 940 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 940 R C 1.508 177.772 176.300 -0.060 0.000 1.131 940 R CA 1.569 57.612 56.100 -0.096 0.000 0.937 940 R CB -0.115 30.009 30.300 -0.292 0.000 0.863 940 R HN -0.018 nan 8.270 nan 0.000 0.435 941 K N -0.468 119.890 120.400 -0.069 0.000 2.551 941 K HA -0.055 4.265 4.320 -0.000 0.000 0.192 941 K C 1.379 177.959 176.600 -0.034 0.000 1.027 941 K CA 0.533 56.784 56.287 -0.061 0.000 1.059 941 K CB -0.192 32.255 32.500 -0.089 0.000 0.831 941 K HN 0.320 nan 8.250 nan 0.000 0.508 942 F N 0.250 120.124 119.950 -0.127 0.000 2.390 942 F HA 0.041 4.568 4.527 -0.000 0.000 0.281 942 F C 1.771 177.461 175.800 -0.183 0.000 1.016 942 F CA 0.159 58.076 58.000 -0.137 0.000 1.286 942 F CB 0.141 39.054 39.000 -0.145 0.000 1.134 942 F HN -0.204 nan 8.300 nan 0.000 0.597 943 L N 0.475 121.779 121.223 0.135 0.000 2.042 943 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 943 L C 2.142 178.959 176.870 -0.087 0.000 1.076 943 L CA 1.416 56.155 54.840 -0.167 0.000 0.749 943 L CB -0.984 40.889 42.059 -0.310 0.000 0.893 943 L HN 0.128 nan 8.230 nan 0.000 0.432 944 R N -0.125 120.381 120.500 0.009 0.000 2.357 944 R HA -0.127 4.212 4.340 -0.000 0.000 0.202 944 R C 1.781 178.124 176.300 0.073 0.000 1.047 944 R CA 0.563 56.725 56.100 0.103 0.000 1.034 944 R CB -0.009 30.361 30.300 0.115 0.000 0.875 944 R HN 0.496 nan 8.270 nan 0.000 0.473 945 E N -0.598 119.612 120.200 0.018 0.000 2.290 945 E HA -0.021 4.329 4.350 -0.000 0.000 0.199 945 E C 1.551 178.162 176.600 0.018 0.000 0.912 945 E CA 0.144 56.527 56.400 -0.027 0.000 0.924 945 E CB 0.596 30.203 29.700 -0.155 0.000 0.901 945 E HN 0.030 nan 8.360 nan 0.000 0.487 946 V N 0.734 120.694 119.914 0.075 0.000 2.446 946 V HA -0.070 4.049 4.120 -0.000 0.000 0.244 946 V C 0.755 177.066 176.094 0.361 0.000 1.039 946 V CA 0.995 63.402 62.300 0.179 0.000 1.045 946 V CB -0.158 31.781 31.823 0.193 0.000 0.681 946 V HN 0.187 nan 8.190 nan 0.000 0.459 947 F N 1.419 121.286 119.950 -0.138 0.000 2.753 947 F HA 0.330 4.857 4.527 -0.000 0.000 0.314 947 F C 1.617 177.408 175.800 -0.014 0.000 1.215 947 F CA -1.432 56.490 58.000 -0.130 0.000 1.243 947 F CB -1.007 37.858 39.000 -0.226 0.000 1.400 947 F HN -0.010 nan 8.300 nan 0.000 0.548 948 V N -1.868 118.145 119.914 0.165 0.000 2.418 948 V HA -0.366 3.754 4.120 -0.000 0.000 0.258 948 V C 2.148 178.354 176.094 0.187 0.000 1.088 948 V CA 2.335 64.718 62.300 0.138 0.000 1.091 948 V CB -0.670 31.188 31.823 0.058 0.000 0.669 948 V HN 0.386 nan 8.190 nan 0.000 0.461 949 D N 1.274 121.755 120.400 0.136 0.000 2.104 949 D HA 0.042 4.682 4.640 -0.000 0.000 0.194 949 D C 1.847 178.178 176.300 0.052 0.000 0.994 949 D CA 2.794 56.857 54.000 0.104 0.000 0.830 949 D CB -0.419 40.422 40.800 0.069 0.000 0.959 949 D HN 0.840 nan 8.370 nan 0.000 0.452 950 G N -0.489 108.263 108.800 -0.080 0.000 2.231 950 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.206 950 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.206 950 G C 0.181 174.886 174.900 -0.326 0.000 0.996 950 G CA 0.335 44.982 45.100 -0.755 0.000 0.645 950 G HN 0.511 nan 8.290 nan 0.000 0.498 951 E N 0.751 120.966 120.200 0.025 0.000 2.437 951 E HA 0.583 4.933 4.350 -0.000 0.000 0.263 951 E C 1.095 177.969 176.600 0.457 0.000 1.030 951 E CA 1.128 57.657 56.400 0.214 0.000 0.934 951 E CB 0.896 30.781 29.700 0.309 0.000 0.943 951 E HN 0.911 nan 8.360 nan 0.000 0.444 952 A N 4.449 127.486 122.820 0.362 0.000 2.498 952 A HA 0.165 4.485 4.320 -0.000 0.000 0.238 952 A C -0.219 177.650 177.584 0.475 0.000 1.225 952 A CA -0.383 51.883 52.037 0.382 0.000 0.978 952 A CB 0.170 19.256 19.000 0.142 0.000 1.142 952 A HN 0.527 nan 8.150 nan 0.000 0.552 953 N N 0.381 119.246 118.700 0.275 0.000 2.439 953 N HA 0.426 5.166 4.740 -0.000 0.000 0.249 953 N C -1.560 173.850 175.510 -0.166 0.000 1.003 953 N CA 0.266 53.367 53.050 0.086 0.000 0.942 953 N CB 0.610 39.054 38.487 -0.072 0.000 1.115 953 N HN 0.440 nan 8.380 nan 0.000 0.505 954 W N 1.643 122.967 121.300 0.041 0.000 3.032 954 W HA 0.424 5.084 4.660 -0.000 0.000 0.341 954 W C -2.164 174.375 176.519 0.034 0.000 1.202 954 W CA -1.641 55.726 57.345 0.037 0.000 1.132 954 W CB 0.506 30.052 29.460 0.145 0.000 1.465 954 W HN 0.248 nan 8.180 nan 0.000 0.576 955 P HA 0.326 nan 4.420 nan 0.000 0.281 955 P C -0.983 176.423 177.300 0.177 0.000 1.286 955 P CA 0.443 63.654 63.100 0.184 0.000 0.772 955 P CB 0.904 32.718 31.700 0.191 0.000 0.862 956 L N 5.821 127.124 121.223 0.133 0.000 2.482 956 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 956 L C -2.305 174.579 176.870 0.024 0.000 0.957 956 L CA -2.640 52.262 54.840 0.102 0.000 0.836 956 L CB 3.318 45.492 42.059 0.191 0.000 1.324 956 L HN 0.160 nan 8.230 nan 0.000 0.406 957 P HA 0.005 nan 4.420 nan 0.000 0.270 957 P C -0.379 176.794 177.300 -0.212 0.000 1.227 957 P CA 0.116 63.063 63.100 -0.254 0.000 0.788 957 P CB 0.582 31.947 31.700 -0.559 0.000 0.926 958 V N -1.295 118.528 119.914 -0.151 0.000 4.955 958 V HA -0.240 3.880 4.120 -0.000 0.000 0.387 958 V C 0.789 176.925 176.094 0.070 0.000 0.686 958 V CA 0.287 62.570 62.300 -0.028 0.000 1.517 958 V CB -2.232 29.605 31.823 0.024 0.000 1.817 958 V HN 0.896 nan 8.190 nan 0.000 0.470 959 N N 4.013 122.730 118.700 0.027 0.000 2.447 959 N HA 0.187 4.927 4.740 -0.000 0.000 0.263 959 N C 0.797 176.323 175.510 0.027 0.000 1.226 959 N CA 0.344 53.410 53.050 0.026 0.000 0.906 959 N CB 0.869 39.345 38.487 -0.019 0.000 1.060 959 N HN 0.694 nan 8.380 nan 0.000 0.468 960 I N 2.621 123.217 120.570 0.043 0.000 3.081 960 I HA 0.009 4.179 4.170 -0.000 0.000 0.274 960 I C 2.322 178.415 176.117 -0.041 0.000 1.178 960 I CA -0.187 61.118 61.300 0.007 0.000 1.460 960 I CB -0.086 37.932 38.000 0.029 0.000 1.137 960 I HN 0.488 nan 8.210 nan 0.000 0.443 961 R N 1.777 122.262 120.500 -0.026 0.000 2.081 961 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 961 R C 2.236 178.501 176.300 -0.058 0.000 1.131 961 R CA 1.613 57.686 56.100 -0.046 0.000 0.960 961 R CB -0.204 30.090 30.300 -0.010 0.000 0.856 961 R HN 0.314 nan 8.270 nan 0.000 0.436 962 R N -0.069 120.407 120.500 -0.040 0.000 2.062 962 R HA -0.015 4.325 4.340 -0.000 0.000 0.229 962 R C 2.433 178.696 176.300 -0.062 0.000 1.128 962 R CA 1.161 57.237 56.100 -0.039 0.000 0.960 962 R CB -0.476 29.809 30.300 -0.025 0.000 0.855 962 R HN 0.227 nan 8.270 nan 0.000 0.432 963 I N 0.949 121.472 120.570 -0.077 0.000 2.479 963 I HA -0.300 3.870 4.170 -0.000 0.000 0.258 963 I C 1.647 177.698 176.117 -0.111 0.000 1.165 963 I CA 1.376 62.602 61.300 -0.124 0.000 1.422 963 I CB 0.141 38.050 38.000 -0.151 0.000 1.087 963 I HN 0.231 nan 8.210 nan 0.000 0.441 964 I N -0.872 119.632 120.570 -0.109 0.000 3.039 964 I HA -0.151 4.019 4.170 -0.000 0.000 0.270 964 I C 2.256 178.323 176.117 -0.085 0.000 1.150 964 I CA 0.226 61.451 61.300 -0.124 0.000 1.448 964 I CB -0.287 37.518 38.000 -0.325 0.000 1.197 964 I HN 0.152 nan 8.210 nan 0.000 0.450 965 Q N 1.047 120.785 119.800 -0.104 0.000 2.197 965 Q HA -0.252 4.088 4.340 -0.000 0.000 0.211 965 Q C 1.679 177.574 176.000 -0.175 0.000 0.993 965 Q CA 1.633 57.372 55.803 -0.106 0.000 0.883 965 Q CB -0.084 28.607 28.738 -0.079 0.000 0.916 965 Q HN 0.547 nan 8.270 nan 0.000 0.418 966 N N -0.339 118.305 118.700 -0.093 0.000 2.251 966 N HA -0.031 4.709 4.740 -0.000 0.000 0.181 966 N C 1.662 177.286 175.510 0.190 0.000 1.019 966 N CA 0.955 53.992 53.050 -0.022 0.000 0.862 966 N CB -0.302 38.262 38.487 0.127 0.000 0.992 966 N HN 0.173 nan 8.380 nan 0.000 0.429 967 A N 2.141 125.200 122.820 0.398 0.000 1.997 967 A HA -0.229 4.091 4.320 -0.000 0.000 0.221 967 A C 2.068 179.760 177.584 0.179 0.000 1.172 967 A CA 1.334 53.671 52.037 0.500 0.000 0.645 967 A CB -0.355 18.843 19.000 0.329 0.000 0.813 967 A HN 0.250 nan 8.150 nan 0.000 0.454 968 Q N -0.385 119.463 119.800 0.081 0.000 1.353 968 Q HA -0.233 4.107 4.340 -0.000 0.000 0.634 968 Q C 2.188 178.209 176.000 0.035 0.000 0.941 968 Q CA 1.719 57.555 55.803 0.055 0.000 0.895 968 Q CB -1.022 27.747 28.738 0.051 0.000 0.930 968 Q HN 0.942 nan 8.270 nan 0.000 0.338 969 Q N 0.123 119.925 119.800 0.002 0.000 2.468 969 Q HA -0.145 4.195 4.340 -0.000 0.000 0.216 969 Q C 1.486 177.344 176.000 -0.236 0.000 0.991 969 Q CA 1.947 57.733 55.803 -0.029 0.000 0.900 969 Q CB -0.595 28.184 28.738 0.067 0.000 0.930 969 Q HN 0.241 nan 8.270 nan 0.000 0.473 970 T N -0.380 114.055 114.554 -0.199 0.000 2.951 970 T HA 0.017 4.367 4.350 -0.000 0.000 0.268 970 T C -0.005 174.251 174.700 -0.741 0.000 1.073 970 T CA 0.849 62.680 62.100 -0.448 0.000 1.134 970 T CB -0.034 68.540 68.868 -0.491 0.000 0.884 970 T HN 0.391 nan 8.240 nan 0.000 0.479 971 F N 0.205 119.864 119.950 -0.484 0.000 2.735 971 F HA 0.343 4.870 4.527 -0.000 0.000 0.308 971 F C 0.653 176.320 175.800 -0.222 0.000 1.112 971 F CA -1.056 56.728 58.000 -0.360 0.000 1.235 971 F CB -0.260 38.601 39.000 -0.231 0.000 1.027 971 F HN 0.144 nan 8.300 nan 0.000 0.528 972 H N -0.719 118.381 119.070 0.051 0.000 2.893 972 H HA -0.226 4.330 4.556 -0.000 0.000 0.298 972 H C 0.848 176.168 175.328 -0.014 0.000 1.083 972 H CA 0.704 56.757 56.048 0.008 0.000 1.176 972 H CB -1.915 27.838 29.762 -0.014 0.000 1.339 972 H HN 0.298 nan 8.280 nan 0.000 0.358 973 I N 3.204 123.815 120.570 0.068 0.000 3.252 973 I HA -0.197 3.973 4.170 -0.000 0.000 0.331 973 I C 0.968 176.982 176.117 -0.173 0.000 1.237 973 I CA 1.073 62.362 61.300 -0.017 0.000 1.436 973 I CB 0.133 38.124 38.000 -0.014 0.000 1.338 973 I HN 0.197 nan 8.210 nan 0.000 0.512 974 D N 7.446 127.774 120.400 -0.121 0.000 2.359 974 D HA 0.058 4.698 4.640 -0.000 0.000 0.230 974 D C 0.979 177.206 176.300 -0.122 0.000 1.118 974 D CA -0.502 53.401 54.000 -0.161 0.000 0.844 974 D CB 0.759 41.532 40.800 -0.045 0.000 1.059 974 D HN 0.443 nan 8.370 nan 0.000 0.493 975 H N 2.084 121.189 119.070 0.059 0.000 2.518 975 H HA -0.149 4.407 4.556 -0.000 0.000 0.294 975 H C 1.726 177.073 175.328 0.032 0.000 1.083 975 H CA 1.773 57.850 56.048 0.049 0.000 1.264 975 H CB -0.504 29.290 29.762 0.053 0.000 1.370 975 H HN 0.650 nan 8.280 nan 0.000 0.560 976 T N -0.367 114.251 114.554 0.106 0.000 2.542 976 T HA -0.098 4.252 4.350 -0.000 0.000 0.257 976 T C 1.132 175.860 174.700 0.046 0.000 1.111 976 T CA 0.340 62.481 62.100 0.068 0.000 1.203 976 T CB -0.065 68.830 68.868 0.045 0.000 0.866 976 T HN 0.173 nan 8.240 nan 0.000 0.399 977 K N 3.072 123.490 120.400 0.031 0.000 2.397 977 K HA 0.172 4.491 4.320 -0.000 0.000 0.265 977 K C -2.330 174.284 176.600 0.024 0.000 0.982 977 K CA -1.186 55.114 56.287 0.022 0.000 0.931 977 K CB -0.108 32.402 32.500 0.016 0.000 0.943 977 K HN 0.378 nan 8.250 nan 0.000 0.501 978 P HA -0.001 nan 4.420 nan 0.000 0.282 978 P C -0.255 177.047 177.300 0.002 0.000 1.249 978 P CA -0.297 62.807 63.100 0.007 0.000 0.806 978 P CB 1.573 33.272 31.700 -0.001 0.000 0.984 979 S N 1.287 116.984 115.700 -0.005 0.000 2.650 979 S HA 0.031 4.500 4.470 -0.000 0.000 0.251 979 S C 0.419 175.005 174.600 -0.024 0.000 1.325 979 S CA 0.465 58.656 58.200 -0.015 0.000 0.967 979 S CB -0.295 62.886 63.200 -0.032 0.000 1.000 979 S HN 0.704 nan 8.310 nan 0.000 0.584 980 D N 0.394 120.772 120.400 -0.037 0.000 3.216 980 D HA 0.235 4.875 4.640 -0.000 0.000 0.348 980 D C -0.535 175.728 176.300 -0.061 0.000 1.407 980 D CA -0.240 53.737 54.000 -0.038 0.000 0.744 980 D CB -1.042 39.746 40.800 -0.020 0.000 1.264 980 D HN 0.345 nan 8.370 nan 0.000 0.543 981 L N -0.128 121.039 121.223 -0.094 0.000 2.298 981 L HA 0.651 4.991 4.340 -0.000 0.000 0.268 981 L C 0.328 177.124 176.870 -0.122 0.000 1.010 981 L CA -0.599 54.155 54.840 -0.143 0.000 0.812 981 L CB 2.031 43.942 42.059 -0.247 0.000 1.331 981 L HN -0.116 nan 8.230 nan 0.000 0.450 982 T N -0.658 113.817 114.554 -0.132 0.000 2.932 982 T HA 0.420 4.769 4.350 -0.000 0.000 0.289 982 T C 1.242 175.874 174.700 -0.114 0.000 1.039 982 T CA -0.602 61.440 62.100 -0.098 0.000 1.024 982 T CB 1.719 70.544 68.868 -0.071 0.000 1.090 982 T HN 0.369 nan 8.240 nan 0.000 0.496 983 I N 0.504 121.024 120.570 -0.084 0.000 2.657 983 I HA -0.168 4.002 4.170 -0.000 0.000 0.261 983 I C 2.362 178.435 176.117 -0.073 0.000 1.212 983 I CA 1.313 62.566 61.300 -0.077 0.000 1.453 983 I CB -0.263 37.708 38.000 -0.050 0.000 1.092 983 I HN 0.601 nan 8.210 nan 0.000 0.452 984 K N 0.342 120.702 120.400 -0.067 0.000 2.067 984 K HA -0.088 4.232 4.320 -0.000 0.000 0.203 984 K C 1.663 178.220 176.600 -0.072 0.000 1.048 984 K CA 0.870 57.126 56.287 -0.053 0.000 0.954 984 K CB -0.063 32.415 32.500 -0.037 0.000 0.737 984 K HN 0.155 nan 8.250 nan 0.000 0.444 985 D N 1.439 121.776 120.400 -0.105 0.000 2.137 985 D HA -0.217 4.423 4.640 -0.000 0.000 0.189 985 D C 1.914 178.074 176.300 -0.233 0.000 0.998 985 D CA 1.304 55.216 54.000 -0.147 0.000 0.839 985 D CB -0.298 40.381 40.800 -0.201 0.000 0.962 985 D HN 0.110 nan 8.370 nan 0.000 0.446 986 I N 0.443 120.794 120.570 -0.364 0.000 2.062 986 I HA -0.272 3.898 4.170 -0.000 0.000 0.216 986 I C 2.599 178.663 176.117 -0.088 0.000 1.036 986 I CA 0.626 61.670 61.300 -0.426 0.000 1.339 986 I CB -0.753 37.031 38.000 -0.360 0.000 1.093 986 I HN -0.108 nan 8.210 nan 0.000 0.389 987 V N 1.180 121.058 119.914 -0.061 0.000 2.280 987 V HA -0.350 3.770 4.120 -0.000 0.000 0.258 987 V C 2.344 178.447 176.094 0.017 0.000 1.081 987 V CA 2.242 64.538 62.300 -0.006 0.000 1.070 987 V CB -0.599 31.216 31.823 -0.014 0.000 0.666 987 V HN 0.376 nan 8.190 nan 0.000 0.450 988 L N -0.536 120.690 121.223 0.005 0.000 2.395 988 L HA 0.031 4.370 4.340 -0.000 0.000 0.218 988 L C 2.346 179.243 176.870 0.044 0.000 1.130 988 L CA 1.110 55.960 54.840 0.017 0.000 0.826 988 L CB -0.627 41.434 42.059 0.004 0.000 0.941 988 L HN 0.475 nan 8.230 nan 0.000 0.451 989 G N -0.970 107.886 108.800 0.093 0.000 2.492 989 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.214 989 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.214 989 G C 1.496 176.476 174.900 0.133 0.000 1.147 989 G CA 0.377 45.568 45.100 0.150 0.000 0.809 989 G HN 0.138 nan 8.290 nan 0.000 0.533 990 V N 1.036 121.052 119.914 0.170 0.000 2.490 990 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 990 V C 2.599 178.699 176.094 0.010 0.000 1.061 990 V CA 2.125 64.476 62.300 0.085 0.000 1.064 990 V CB -0.403 31.485 31.823 0.108 0.000 0.670 990 V HN 0.414 nan 8.190 nan 0.000 0.461 991 K N 0.361 120.772 120.400 0.019 0.000 2.103 991 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 991 K C 1.682 178.271 176.600 -0.020 0.000 1.048 991 K CA 1.932 58.215 56.287 -0.007 0.000 0.930 991 K CB -0.160 32.340 32.500 0.001 0.000 0.716 991 K HN 0.509 nan 8.250 nan 0.000 0.444 992 D N 0.438 120.834 120.400 -0.007 0.000 2.289 992 D HA -0.106 4.534 4.640 -0.000 0.000 0.207 992 D C 1.817 178.092 176.300 -0.042 0.000 0.966 992 D CA 0.330 54.319 54.000 -0.019 0.000 0.868 992 D CB -0.020 40.780 40.800 -0.001 0.000 0.943 992 D HN 0.152 nan 8.370 nan 0.000 0.514 993 L N 1.561 122.754 121.223 -0.049 0.000 1.989 993 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 993 L C 2.123 178.926 176.870 -0.112 0.000 1.071 993 L CA 1.873 56.663 54.840 -0.085 0.000 0.749 993 L CB -0.759 41.237 42.059 -0.105 0.000 0.890 993 L HN -0.060 nan 8.230 nan 0.000 0.431 994 Q N -0.744 118.989 119.800 -0.111 0.000 2.061 994 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 994 Q C 2.005 177.933 176.000 -0.120 0.000 0.984 994 Q CA 1.601 57.325 55.803 -0.131 0.000 0.846 994 Q CB -0.387 28.285 28.738 -0.110 0.000 0.902 994 Q HN 0.553 nan 8.270 nan 0.000 0.421 995 E N 0.656 120.806 120.200 -0.083 0.000 2.284 995 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 995 E C 0.948 177.500 176.600 -0.080 0.000 1.008 995 E CA 0.875 57.234 56.400 -0.067 0.000 0.829 995 E CB -0.145 29.529 29.700 -0.044 0.000 0.744 995 E HN 0.388 nan 8.360 nan 0.000 0.491 996 N N -0.097 118.539 118.700 -0.107 0.000 2.204 996 N HA 0.079 4.819 4.740 -0.000 0.000 0.219 996 N C 0.206 175.600 175.510 -0.194 0.000 1.151 996 N CA 0.027 53.008 53.050 -0.113 0.000 0.867 996 N CB 0.739 39.178 38.487 -0.080 0.000 1.043 996 N HN 0.117 nan 8.380 nan 0.000 0.516 997 L N 1.839 122.858 121.223 -0.340 0.000 2.796 997 L HA 0.314 4.654 4.340 -0.000 0.000 0.235 997 L C -0.387 176.233 176.870 -0.417 0.000 1.344 997 L CA -0.423 53.947 54.840 -0.784 0.000 1.245 997 L CB -0.614 40.658 42.059 -1.312 0.000 1.556 997 L HN -0.160 nan 8.230 nan 0.000 0.423 998 L N -0.270 120.884 121.223 -0.115 0.000 2.453 998 L HA 0.108 4.448 4.340 -0.000 0.000 0.272 998 L C 1.016 177.977 176.870 0.152 0.000 1.182 998 L CA 0.273 55.125 54.840 0.019 0.000 0.858 998 L CB 0.503 42.569 42.059 0.010 0.000 1.120 998 L HN 0.027 nan 8.230 nan 0.000 0.474 999 V N 2.248 122.243 119.914 0.135 0.000 3.001 999 V HA 0.230 4.350 4.120 -0.000 0.000 0.228 999 V C 0.435 176.577 176.094 0.079 0.000 1.204 999 V CA 0.095 62.477 62.300 0.136 0.000 1.247 999 V CB 0.306 32.217 31.823 0.145 0.000 1.093 999 V HN 0.510 nan 8.190 nan 0.000 0.504 1000 L N 0.355 121.618 121.223 0.067 0.000 2.307 1000 L HA 0.448 4.787 4.340 -0.000 0.000 0.282 1000 L C 1.122 178.016 176.870 0.039 0.000 1.051 1000 L CA -0.071 54.802 54.840 0.055 0.000 0.804 1000 L CB 1.333 43.423 42.059 0.052 0.000 1.197 1000 L HN 0.063 nan 8.230 nan 0.000 0.431 1001 R N 1.823 122.343 120.500 0.033 0.000 2.087 1001 R HA 0.160 4.500 4.340 -0.000 0.000 0.216 1001 R C 0.785 177.094 176.300 0.015 0.000 1.114 1001 R CA 0.461 56.572 56.100 0.019 0.000 1.002 1001 R CB -0.229 30.078 30.300 0.011 0.000 0.903 1001 R HN 0.880 nan 8.270 nan 0.000 0.445 1002 G N 1.632 110.444 108.800 0.020 0.000 2.964 1002 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.289 1002 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.289 1002 G C -0.291 174.615 174.900 0.009 0.000 0.276 1002 G CA 0.339 45.449 45.100 0.016 0.000 1.210 1002 G HN 0.225 nan 8.290 nan 0.000 0.228 1003 K N 1.195 121.600 120.400 0.007 0.000 3.129 1003 K HA 0.290 4.610 4.320 -0.000 0.000 0.241 1003 K C 0.421 177.023 176.600 0.002 0.000 1.239 1003 K CA -0.040 56.250 56.287 0.004 0.000 1.239 1003 K CB -0.328 32.174 32.500 0.004 0.000 1.347 1003 K HN 0.888 nan 8.250 nan 0.000 0.435 1004 N N -2.702 115.998 118.700 0.001 0.000 3.043 1004 N HA 0.014 4.754 4.740 -0.000 0.000 0.243 1004 N C 0.273 175.779 175.510 -0.006 0.000 1.347 1004 N CA -0.750 52.299 53.050 -0.002 0.000 0.896 1004 N CB 0.884 39.370 38.487 -0.001 0.000 1.501 1004 N HN -0.102 nan 8.380 nan 0.000 0.504 1005 E N 1.126 121.322 120.200 -0.007 0.000 2.119 1005 E HA -0.263 4.087 4.350 -0.000 0.000 0.221 1005 E C 1.162 177.751 176.600 -0.017 0.000 1.062 1005 E CA 2.877 59.270 56.400 -0.011 0.000 0.894 1005 E CB -0.421 29.273 29.700 -0.011 0.000 0.785 1005 E HN 0.656 nan 8.360 nan 0.000 0.472 1006 I N 0.243 120.799 120.570 -0.023 0.000 2.145 1006 I HA -0.314 3.856 4.170 -0.000 0.000 0.244 1006 I C 2.147 178.240 176.117 -0.040 0.000 1.075 1006 I CA 1.115 62.392 61.300 -0.039 0.000 1.332 1006 I CB -0.519 37.454 38.000 -0.045 0.000 1.033 1006 I HN 0.273 nan 8.210 nan 0.000 0.410 1007 I N -0.025 120.531 120.570 -0.023 0.000 2.193 1007 I HA -0.200 3.969 4.170 -0.000 0.000 0.240 1007 I C 2.619 178.732 176.117 -0.006 0.000 1.084 1007 I CA 1.349 62.642 61.300 -0.012 0.000 1.365 1007 I CB -1.636 36.365 38.000 0.002 0.000 1.064 1007 I HN 0.313 nan 8.210 nan 0.000 0.410 1008 Q N 0.965 120.763 119.800 -0.005 0.000 2.077 1008 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 1008 Q C 2.046 178.043 176.000 -0.005 0.000 0.989 1008 Q CA 1.361 57.162 55.803 -0.003 0.000 0.853 1008 Q CB -0.692 28.043 28.738 -0.005 0.000 0.907 1008 Q HN 0.488 nan 8.270 nan 0.000 0.418 1009 N N 0.180 118.874 118.700 -0.010 0.000 2.348 1009 N HA -0.112 4.628 4.740 -0.000 0.000 0.185 1009 N C 1.413 176.918 175.510 -0.008 0.000 1.019 1009 N CA 1.077 54.121 53.050 -0.010 0.000 0.880 1009 N CB 0.064 38.542 38.487 -0.016 0.000 0.965 1009 N HN 0.253 nan 8.380 nan 0.000 0.437 1010 A N 0.328 123.141 122.820 -0.012 0.000 1.898 1010 A HA -0.122 4.198 4.320 -0.000 0.000 0.214 1010 A C 2.134 179.727 177.584 0.016 0.000 1.183 1010 A CA 1.233 53.267 52.037 -0.005 0.000 0.622 1010 A CB -0.589 18.403 19.000 -0.014 0.000 0.824 1010 A HN 0.277 nan 8.150 nan 0.000 0.444 1011 Q N 0.530 120.340 119.800 0.017 0.000 2.012 1011 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 1011 Q C 2.061 178.075 176.000 0.023 0.000 1.009 1011 Q CA 2.586 58.404 55.803 0.026 0.000 0.866 1011 Q CB -0.467 28.280 28.738 0.015 0.000 0.945 1011 Q HN 0.632 nan 8.270 nan 0.000 0.414 1012 R N 0.324 120.829 120.500 0.009 0.000 2.154 1012 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 1012 R C 2.134 178.440 176.300 0.010 0.000 1.121 1012 R CA 1.879 57.981 56.100 0.003 0.000 0.915 1012 R CB -0.839 29.462 30.300 0.001 0.000 0.856 1012 R HN 0.504 nan 8.270 nan 0.000 0.431 1013 D N 0.324 120.735 120.400 0.017 0.000 2.321 1013 D HA -0.280 4.360 4.640 -0.000 0.000 0.194 1013 D C 1.831 178.146 176.300 0.024 0.000 1.013 1013 D CA 1.969 55.984 54.000 0.026 0.000 0.863 1013 D CB -0.706 40.113 40.800 0.031 0.000 1.011 1013 D HN 0.376 nan 8.370 nan 0.000 0.457 1014 A N 0.423 123.265 122.820 0.036 0.000 2.104 1014 A HA -0.201 4.118 4.320 -0.000 0.000 0.223 1014 A C 2.468 180.090 177.584 0.064 0.000 1.164 1014 A CA 2.041 54.106 52.037 0.047 0.000 0.659 1014 A CB -0.542 18.494 19.000 0.060 0.000 0.808 1014 A HN 0.219 nan 8.150 nan 0.000 0.465 1015 V N -1.777 118.176 119.914 0.066 0.000 2.423 1015 V HA -0.093 4.027 4.120 -0.000 0.000 0.233 1015 V C 2.156 178.280 176.094 0.049 0.000 1.067 1015 V CA 1.662 64.031 62.300 0.114 0.000 1.073 1015 V CB -1.491 30.389 31.823 0.096 0.000 0.715 1015 V HN 0.569 nan 8.190 nan 0.000 0.485 1016 T N 1.367 115.901 114.554 -0.033 0.000 7.154 1016 T HA -0.450 3.899 4.350 -0.000 0.000 0.250 1016 T C 1.541 176.110 174.700 -0.219 0.000 1.622 1016 T CA 2.653 64.660 62.100 -0.156 0.000 1.565 1016 T CB -1.420 67.322 68.868 -0.210 0.000 1.801 1016 T HN 0.314 nan 8.240 nan 0.000 0.676 1017 L N 0.958 122.047 121.223 -0.223 0.000 2.021 1017 L HA -0.056 4.284 4.340 -0.000 0.000 0.215 1017 L C 2.071 178.887 176.870 -0.090 0.000 1.074 1017 L CA 2.381 57.079 54.840 -0.237 0.000 0.760 1017 L CB -1.301 40.651 42.059 -0.177 0.000 0.889 1017 L HN 0.453 nan 8.230 nan 0.000 0.433 1018 F N 0.338 120.233 119.950 -0.092 0.000 2.026 1018 F HA -0.289 4.237 4.527 -0.000 0.000 0.296 1018 F C 2.666 178.431 175.800 -0.058 0.000 1.133 1018 F CA 1.841 59.829 58.000 -0.020 0.000 1.188 1018 F CB -1.256 37.813 39.000 0.115 0.000 0.968 1018 F HN 0.301 nan 8.300 nan 0.000 0.476 1019 C N 0.275 119.392 119.300 -0.305 0.000 2.385 1019 C HA -0.320 4.140 4.460 -0.000 0.000 0.275 1019 C C 3.081 177.861 174.990 -0.350 0.000 1.199 1019 C CA 0.911 59.683 59.018 -0.409 0.000 1.782 1019 C CB -2.212 25.393 27.740 -0.225 0.000 2.068 1019 C HN 0.725 nan 8.230 nan 0.000 0.471 1020 C N 0.321 119.447 119.300 -0.289 0.000 2.393 1020 C HA -0.175 4.285 4.460 -0.000 0.000 0.276 1020 C C 2.613 177.470 174.990 -0.221 0.000 1.215 1020 C CA 1.547 60.414 59.018 -0.252 0.000 1.743 1020 C CB -1.666 25.892 27.740 -0.304 0.000 2.044 1020 C HN 0.683 nan 8.230 nan 0.000 0.464 1021 L N 0.577 121.658 121.223 -0.237 0.000 2.081 1021 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 1021 L C 2.232 178.954 176.870 -0.247 0.000 1.080 1021 L CA 1.747 56.478 54.840 -0.182 0.000 0.754 1021 L CB -0.926 41.073 42.059 -0.100 0.000 0.893 1021 L HN 0.288 nan 8.230 nan 0.000 0.433 1022 L N 0.047 121.001 121.223 -0.449 0.000 1.955 1022 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 1022 L C 2.733 179.486 176.870 -0.195 0.000 1.072 1022 L CA 2.004 56.599 54.840 -0.409 0.000 0.755 1022 L CB -0.709 41.020 42.059 -0.551 0.000 0.888 1022 L HN 0.285 nan 8.230 nan 0.000 0.432 1023 R N -1.106 119.299 120.500 -0.158 0.000 2.152 1023 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 1023 R C 2.477 178.780 176.300 0.005 0.000 1.117 1023 R CA 1.124 57.185 56.100 -0.065 0.000 0.981 1023 R CB -0.661 29.606 30.300 -0.055 0.000 0.870 1023 R HN 0.492 nan 8.270 nan 0.000 0.451 1024 S N 0.660 116.361 115.700 0.001 0.000 2.368 1024 S HA -0.092 4.378 4.470 -0.000 0.000 0.225 1024 S C 1.742 176.386 174.600 0.072 0.000 1.030 1024 S CA 0.959 59.226 58.200 0.111 0.000 0.999 1024 S CB 0.123 63.342 63.200 0.031 0.000 0.844 1024 S HN 0.226 nan 8.310 nan 0.000 0.459 1025 R N 0.166 120.670 120.500 0.007 0.000 2.265 1025 R HA 0.335 4.675 4.340 -0.000 0.000 0.194 1025 R C 0.636 176.972 176.300 0.060 0.000 0.931 1025 R CA 0.188 56.309 56.100 0.035 0.000 1.032 1025 R CB -0.242 30.076 30.300 0.029 0.000 0.980 1025 R HN 0.411 nan 8.270 nan 0.000 0.497 1026 L N 1.467 122.696 121.223 0.010 0.000 3.108 1026 L HA 0.404 4.744 4.340 -0.000 0.000 0.251 1026 L C -0.023 176.860 176.870 0.022 0.000 1.315 1026 L CA -0.517 54.363 54.840 0.066 0.000 1.048 1026 L CB 0.748 42.837 42.059 0.051 0.000 1.432 1026 L HN -0.084 nan 8.230 nan 0.000 0.543 1027 A N -0.463 122.300 122.820 -0.095 0.000 2.331 1027 A HA 0.396 4.716 4.320 -0.000 0.000 0.283 1027 A C 1.400 178.870 177.584 -0.190 0.000 1.142 1027 A CA -0.157 51.777 52.037 -0.172 0.000 0.812 1027 A CB 0.626 19.385 19.000 -0.402 0.000 1.074 1027 A HN 0.357 nan 8.150 nan 0.000 0.497 1028 T N 2.069 116.546 114.554 -0.127 0.000 2.567 1028 T HA -0.259 4.091 4.350 -0.000 0.000 0.261 1028 T C 2.197 176.785 174.700 -0.187 0.000 1.123 1028 T CA 2.057 64.078 62.100 -0.131 0.000 1.166 1028 T CB -0.302 68.515 68.868 -0.084 0.000 0.860 1028 T HN 0.665 nan 8.240 nan 0.000 0.436 1029 R N 0.578 120.954 120.500 -0.207 0.000 2.132 1029 R HA -0.078 4.262 4.340 -0.000 0.000 0.233 1029 R C 2.617 178.718 176.300 -0.331 0.000 1.125 1029 R CA 1.885 57.843 56.100 -0.235 0.000 0.914 1029 R CB -0.865 29.290 30.300 -0.241 0.000 0.845 1029 R HN 0.384 nan 8.270 nan 0.000 0.431 1030 R N -0.078 120.151 120.500 -0.453 0.000 2.162 1030 R HA -0.206 4.134 4.340 -0.000 0.000 0.245 1030 R C 2.319 178.149 176.300 -0.784 0.000 1.129 1030 R CA 2.565 58.317 56.100 -0.579 0.000 0.940 1030 R CB -0.634 29.333 30.300 -0.556 0.000 0.875 1030 R HN 0.117 nan 8.270 nan 0.000 0.437 1031 V N 0.673 120.292 119.914 -0.493 0.000 2.250 1031 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 1031 V C 2.161 178.071 176.094 -0.307 0.000 1.060 1031 V CA 2.203 64.321 62.300 -0.303 0.000 1.030 1031 V CB -0.485 31.328 31.823 -0.016 0.000 0.643 1031 V HN 0.300 nan 8.190 nan 0.000 0.445 1032 L N -1.134 119.941 121.223 -0.246 0.000 2.298 1032 L HA 0.042 4.382 4.340 -0.000 0.000 0.209 1032 L C 2.381 179.157 176.870 -0.156 0.000 1.084 1032 L CA 1.390 56.139 54.840 -0.153 0.000 0.816 1032 L CB -0.591 41.397 42.059 -0.119 0.000 0.967 1032 L HN 0.304 nan 8.230 nan 0.000 0.460 1033 Q N 0.034 119.701 119.800 -0.222 0.000 2.250 1033 Q HA -0.069 4.271 4.340 -0.000 0.000 0.200 1033 Q C 1.820 177.693 176.000 -0.211 0.000 0.941 1033 Q CA 0.711 56.408 55.803 -0.176 0.000 0.872 1033 Q CB 0.305 28.946 28.738 -0.162 0.000 0.965 1033 Q HN 0.512 nan 8.270 nan 0.000 0.480 1034 E N -0.520 119.452 120.200 -0.380 0.000 2.299 1034 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 1034 E C -0.365 176.144 176.600 -0.152 0.000 0.998 1034 E CA 0.657 56.847 56.400 -0.349 0.000 0.851 1034 E CB 0.452 29.857 29.700 -0.493 0.000 0.795 1034 E HN 0.504 nan 8.360 nan 0.000 0.492 1035 Y N -1.812 118.478 120.300 -0.018 0.000 3.034 1035 Y HA 0.363 4.913 4.550 -0.000 0.000 0.235 1035 Y C -0.695 175.288 175.900 0.138 0.000 0.928 1035 Y CA -1.186 56.951 58.100 0.062 0.000 1.130 1035 Y CB -0.496 38.004 38.460 0.067 0.000 1.239 1035 Y HN -0.277 nan 8.280 nan 0.000 0.667 1036 R N 1.971 122.604 120.500 0.222 0.000 2.191 1036 R HA -0.156 4.184 4.340 -0.000 0.000 0.177 1036 R C -0.426 175.973 176.300 0.165 0.000 0.541 1036 R CA 0.315 56.511 56.100 0.161 0.000 0.502 1036 R CB -0.504 29.903 30.300 0.179 0.000 1.643 1036 R HN 0.554 nan 8.270 nan 0.000 0.542 1037 L N 2.338 123.658 121.223 0.162 0.000 2.278 1037 L HA 0.091 4.431 4.340 -0.000 0.000 0.287 1037 L C 1.644 178.546 176.870 0.054 0.000 1.072 1037 L CA 0.377 55.309 54.840 0.154 0.000 0.819 1037 L CB 1.175 43.402 42.059 0.279 0.000 1.176 1037 L HN 0.598 nan 8.230 nan 0.000 0.435 1038 T N 1.869 116.422 114.554 -0.001 0.000 2.619 1038 T HA -0.018 4.332 4.350 -0.000 0.000 0.330 1038 T C 1.258 175.947 174.700 -0.018 0.000 1.037 1038 T CA 0.241 62.324 62.100 -0.027 0.000 1.005 1038 T CB 1.039 69.872 68.868 -0.058 0.000 1.084 1038 T HN 0.614 nan 8.240 nan 0.000 0.521 1039 K N 0.147 120.536 120.400 -0.019 0.000 1.991 1039 K HA -0.049 4.271 4.320 -0.000 0.000 0.207 1039 K C 2.549 179.182 176.600 0.056 0.000 1.045 1039 K CA 1.993 58.283 56.287 0.005 0.000 0.937 1039 K CB -0.886 31.614 32.500 0.000 0.000 0.720 1039 K HN 0.770 nan 8.250 nan 0.000 0.438 1040 Q N -0.065 119.737 119.800 0.002 0.000 1.927 1040 Q HA -0.243 4.097 4.340 -0.000 0.000 0.210 1040 Q C 1.957 177.847 176.000 -0.183 0.000 1.001 1040 Q CA 2.515 58.306 55.803 -0.019 0.000 0.862 1040 Q CB -0.622 28.130 28.738 0.023 0.000 0.934 1040 Q HN 0.417 nan 8.270 nan 0.000 0.420 1041 A N 0.373 122.822 122.820 -0.618 0.000 1.923 1041 A HA -0.305 4.015 4.320 -0.000 0.000 0.222 1041 A C 1.914 179.425 177.584 -0.122 0.000 1.258 1041 A CA 2.201 53.745 52.037 -0.821 0.000 0.670 1041 A CB -1.459 17.185 19.000 -0.593 0.000 0.834 1041 A HN 0.686 nan 8.150 nan 0.000 0.470 1042 F N 0.822 120.698 119.950 -0.122 0.000 2.060 1042 F HA -0.169 4.358 4.527 -0.000 0.000 0.295 1042 F C 1.998 177.810 175.800 0.021 0.000 1.120 1042 F CA 2.185 60.173 58.000 -0.020 0.000 1.205 1042 F CB -0.290 38.701 39.000 -0.016 0.000 0.986 1042 F HN 0.254 nan 8.300 nan 0.000 0.470 1043 D N -0.449 120.119 120.400 0.280 0.000 2.239 1043 D HA -0.262 4.378 4.640 -0.000 0.000 0.202 1043 D C 1.686 178.047 176.300 0.102 0.000 0.993 1043 D CA 1.467 55.571 54.000 0.173 0.000 0.874 1043 D CB -0.612 40.302 40.800 0.190 0.000 0.922 1043 D HN 0.523 nan 8.370 nan 0.000 0.464 1044 W N 1.391 122.641 121.300 -0.082 0.000 2.418 1044 W HA -0.143 4.517 4.660 -0.000 0.000 0.319 1044 W C 2.291 178.747 176.519 -0.106 0.000 1.183 1044 W CA 0.730 58.048 57.345 -0.045 0.000 1.327 1044 W CB -0.777 28.688 29.460 0.008 0.000 1.163 1044 W HN -0.277 nan 8.180 nan 0.000 0.479 1045 V N 1.845 121.700 119.914 -0.098 0.000 2.363 1045 V HA -0.391 3.729 4.120 -0.000 0.000 0.254 1045 V C 2.405 178.269 176.094 -0.383 0.000 1.074 1045 V CA 2.053 64.149 62.300 -0.340 0.000 1.069 1045 V CB -1.145 30.531 31.823 -0.244 0.000 0.659 1045 V HN 0.275 nan 8.190 nan 0.000 0.455 1046 L N 0.411 121.397 121.223 -0.394 0.000 1.961 1046 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 1046 L C 2.822 179.560 176.870 -0.219 0.000 1.072 1046 L CA 2.291 56.930 54.840 -0.336 0.000 0.749 1046 L CB -1.219 40.639 42.059 -0.334 0.000 0.889 1046 L HN 0.617 nan 8.230 nan 0.000 0.432 1047 S N 0.020 115.614 115.700 -0.177 0.000 2.374 1047 S HA -0.223 4.246 4.470 -0.000 0.000 0.227 1047 S C 1.688 176.186 174.600 -0.170 0.000 1.037 1047 S CA 1.598 59.720 58.200 -0.130 0.000 1.024 1047 S CB -0.661 62.495 63.200 -0.074 0.000 0.861 1047 S HN 0.431 nan 8.310 nan 0.000 0.456 1048 N N 2.069 120.585 118.700 -0.307 0.000 2.039 1048 N HA -0.006 4.734 4.740 -0.000 0.000 0.193 1048 N C 1.941 177.351 175.510 -0.167 0.000 1.044 1048 N CA 1.782 54.642 53.050 -0.316 0.000 0.847 1048 N CB -0.589 37.553 38.487 -0.576 0.000 1.030 1048 N HN 0.434 nan 8.380 nan 0.000 0.422 1049 I N 1.572 122.049 120.570 -0.156 0.000 2.181 1049 I HA -0.336 3.834 4.170 -0.000 0.000 0.247 1049 I C 2.621 178.773 176.117 0.059 0.000 1.081 1049 I CA 1.431 62.725 61.300 -0.011 0.000 1.340 1049 I CB -0.371 37.620 38.000 -0.015 0.000 1.036 1049 I HN 0.333 nan 8.210 nan 0.000 0.417 1050 E N 1.426 121.616 120.200 -0.016 0.000 1.998 1050 E HA -0.247 4.103 4.350 -0.000 0.000 0.196 1050 E C 2.218 178.858 176.600 0.066 0.000 1.003 1050 E CA 1.751 58.150 56.400 -0.000 0.000 0.829 1050 E CB -0.246 29.427 29.700 -0.045 0.000 0.777 1050 E HN 0.390 nan 8.360 nan 0.000 0.460 1051 A N 0.361 123.194 122.820 0.021 0.000 1.933 1051 A HA -0.226 4.093 4.320 -0.000 0.000 0.218 1051 A C 2.221 179.836 177.584 0.052 0.000 1.175 1051 A CA 1.701 53.761 52.037 0.038 0.000 0.628 1051 A CB -0.702 18.302 19.000 0.007 0.000 0.814 1051 A HN 0.507 nan 8.150 nan 0.000 0.444 1052 Q N -1.905 117.910 119.800 0.025 0.000 2.226 1052 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 1052 Q C 1.673 177.699 176.000 0.043 0.000 0.975 1052 Q CA 1.563 57.374 55.803 0.014 0.000 0.866 1052 Q CB -0.182 28.539 28.738 -0.028 0.000 0.915 1052 Q HN 0.774 nan 8.270 nan 0.000 0.440 1053 F N 0.316 120.215 119.950 -0.085 0.000 2.016 1053 F HA -0.178 4.349 4.527 -0.000 0.000 0.290 1053 F C 1.814 177.552 175.800 -0.103 0.000 1.166 1053 F CA 1.202 59.112 58.000 -0.150 0.000 1.156 1053 F CB -0.434 38.477 39.000 -0.148 0.000 0.995 1053 F HN -0.035 nan 8.300 nan 0.000 0.477 1054 L N 0.588 122.042 121.223 0.385 0.000 2.186 1054 L HA -0.390 3.950 4.340 -0.000 0.000 0.221 1054 L C 2.603 179.472 176.870 -0.002 0.000 1.087 1054 L CA 1.823 56.782 54.840 0.198 0.000 0.794 1054 L CB -0.740 41.402 42.059 0.139 0.000 0.893 1054 L HN 0.275 nan 8.230 nan 0.000 0.442 1055 R N -1.062 119.444 120.500 0.011 0.000 2.073 1055 R HA -0.070 4.270 4.340 -0.000 0.000 0.229 1055 R C 2.349 178.637 176.300 -0.021 0.000 1.120 1055 R CA 1.445 57.571 56.100 0.044 0.000 0.967 1055 R CB -0.414 29.964 30.300 0.129 0.000 0.862 1055 R HN 0.275 nan 8.270 nan 0.000 0.436 1056 S N 0.897 116.551 115.700 -0.077 0.000 2.465 1056 S HA -0.040 4.429 4.470 -0.000 0.000 0.241 1056 S C 1.143 175.432 174.600 -0.518 0.000 1.000 1056 S CA 0.388 58.403 58.200 -0.308 0.000 0.964 1056 S CB -0.206 62.804 63.200 -0.316 0.000 0.763 1056 S HN 0.018 nan 8.310 nan 0.000 0.512 1057 V N 1.348 121.003 119.914 -0.432 0.000 3.625 1057 V HA 0.017 4.137 4.120 -0.000 0.000 0.302 1057 V C 0.825 176.739 176.094 -0.301 0.000 1.112 1057 V CA -0.066 62.029 62.300 -0.342 0.000 1.173 1057 V CB 0.289 31.978 31.823 -0.224 0.000 1.096 1057 V HN 0.104 nan 8.190 nan 0.000 0.486 1058 V N 1.076 120.893 119.914 -0.161 0.000 2.617 1058 V HA 0.267 4.387 4.120 -0.000 0.000 0.298 1058 V C 0.081 176.144 176.094 -0.052 0.000 1.048 1058 V CA -0.552 61.726 62.300 -0.036 0.000 0.964 1058 V CB 1.248 33.174 31.823 0.171 0.000 1.004 1058 V HN 0.783 nan 8.190 nan 0.000 0.466 1059 H N 5.086 124.189 119.070 0.056 0.000 2.723 1059 H HA 0.250 4.806 4.556 -0.000 0.000 0.294 1059 H C -2.317 173.080 175.328 0.115 0.000 1.079 1059 H CA -1.830 54.272 56.048 0.090 0.000 1.411 1059 H CB 1.330 31.138 29.762 0.077 0.000 1.439 1059 H HN 0.404 nan 8.280 nan 0.000 0.474 1060 P HA 0.032 nan 4.420 nan 0.000 0.264 1060 P C 0.810 178.175 177.300 0.107 0.000 1.236 1060 P CA 0.766 63.988 63.100 0.204 0.000 0.811 1060 P CB 0.598 32.546 31.700 0.414 0.000 0.840 1061 G N 2.507 111.328 108.800 0.036 0.000 3.758 1061 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.206 1061 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.206 1061 G C -0.170 174.720 174.900 -0.017 0.000 0.946 1061 G CA -0.439 44.661 45.100 0.000 0.000 0.885 1061 G HN 0.362 nan 8.290 nan 0.000 0.392 1062 E N 1.679 121.884 120.200 0.009 0.000 2.708 1062 E HA 0.061 4.411 4.350 -0.000 0.000 0.260 1062 E C 0.496 177.042 176.600 -0.090 0.000 0.937 1062 E CA 0.507 56.885 56.400 -0.036 0.000 0.953 1062 E CB 0.341 30.015 29.700 -0.043 0.000 0.915 1062 E HN 0.221 nan 8.360 nan 0.000 0.487 1063 M N 3.800 123.347 119.600 -0.089 0.000 3.443 1063 M HA 0.028 4.508 4.480 -0.000 0.000 0.228 1063 M C 1.083 177.306 176.300 -0.128 0.000 1.227 1063 M CA -0.338 54.901 55.300 -0.101 0.000 1.321 1063 M CB -0.511 32.039 32.600 -0.083 0.000 1.134 1063 M HN 0.200 nan 8.290 nan 0.000 0.567 1064 V N -0.060 119.736 119.914 -0.196 0.000 2.495 1064 V HA -0.294 3.826 4.120 -0.000 0.000 0.260 1064 V C 2.341 178.346 176.094 -0.148 0.000 1.097 1064 V CA 2.322 64.484 62.300 -0.231 0.000 1.105 1064 V CB -1.738 29.757 31.823 -0.547 0.000 0.678 1064 V HN 0.695 nan 8.190 nan 0.000 0.469 1065 G N 0.266 108.979 108.800 -0.144 0.000 2.552 1065 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 1065 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 1065 G C 1.583 176.404 174.900 -0.132 0.000 1.240 1065 G CA 1.262 46.284 45.100 -0.131 0.000 0.796 1065 G HN 0.395 nan 8.290 nan 0.000 0.568 1066 V N 1.172 121.011 119.914 -0.126 0.000 2.546 1066 V HA -0.151 3.969 4.120 -0.000 0.000 0.254 1066 V C 2.573 178.595 176.094 -0.120 0.000 1.076 1066 V CA 1.346 63.573 62.300 -0.121 0.000 1.087 1066 V CB -0.551 31.211 31.823 -0.101 0.000 0.674 1066 V HN 0.314 nan 8.190 nan 0.000 0.470 1067 L N 0.746 121.899 121.223 -0.116 0.000 1.925 1067 L HA -0.053 4.287 4.340 -0.000 0.000 0.214 1067 L C 2.646 179.397 176.870 -0.199 0.000 1.091 1067 L CA 2.534 57.296 54.840 -0.129 0.000 0.768 1067 L CB -1.639 40.369 42.059 -0.085 0.000 0.887 1067 L HN 0.290 nan 8.230 nan 0.000 0.433 1068 A N 0.252 122.977 122.820 -0.158 0.000 1.935 1068 A HA -0.379 3.941 4.320 -0.000 0.000 0.224 1068 A C 2.437 179.911 177.584 -0.184 0.000 1.324 1068 A CA 3.455 55.398 52.037 -0.157 0.000 0.686 1068 A CB -1.440 17.589 19.000 0.049 0.000 0.837 1068 A HN 0.772 nan 8.150 nan 0.000 0.481 1069 A N -1.256 121.471 122.820 -0.154 0.000 1.859 1069 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 1069 A C 2.137 179.625 177.584 -0.161 0.000 1.198 1069 A CA 2.085 54.026 52.037 -0.161 0.000 0.629 1069 A CB -0.834 18.059 19.000 -0.177 0.000 0.830 1069 A HN 0.728 nan 8.150 nan 0.000 0.446 1070 Q N -0.433 119.274 119.800 -0.154 0.000 2.002 1070 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 1070 Q C 2.404 178.315 176.000 -0.148 0.000 0.988 1070 Q CA 1.847 57.572 55.803 -0.131 0.000 0.843 1070 Q CB -0.434 28.255 28.738 -0.082 0.000 0.908 1070 Q HN 0.641 nan 8.270 nan 0.000 0.420 1071 S N 0.566 116.141 115.700 -0.208 0.000 2.444 1071 S HA -0.173 4.297 4.470 -0.000 0.000 0.244 1071 S C 1.820 176.319 174.600 -0.168 0.000 1.025 1071 S CA 1.145 59.195 58.200 -0.251 0.000 0.995 1071 S CB -0.209 62.572 63.200 -0.698 0.000 0.781 1071 S HN 0.292 nan 8.310 nan 0.000 0.496 1072 I N -0.018 120.460 120.570 -0.153 0.000 2.899 1072 I HA 0.097 4.266 4.170 -0.000 0.000 0.257 1072 I C 2.584 178.629 176.117 -0.119 0.000 1.115 1072 I CA 0.702 61.934 61.300 -0.113 0.000 1.451 1072 I CB -0.789 37.152 38.000 -0.100 0.000 1.251 1072 I HN 0.323 nan 8.210 nan 0.000 0.456 1073 G N 0.584 109.306 108.800 -0.129 0.000 2.625 1073 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.214 1073 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.214 1073 G C 1.455 176.274 174.900 -0.135 0.000 1.132 1073 G CA 0.360 45.385 45.100 -0.125 0.000 0.782 1073 G HN 0.233 nan 8.290 nan 0.000 0.538 1074 E N 1.249 121.352 120.200 -0.162 0.000 2.024 1074 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 1074 E C -0.267 176.223 176.600 -0.184 0.000 0.974 1074 E CA 0.528 56.789 56.400 -0.231 0.000 0.810 1074 E CB -0.604 28.886 29.700 -0.349 0.000 0.775 1074 E HN 0.322 nan 8.360 nan 0.000 0.453 1075 P HA -0.008 nan 4.420 nan 0.000 0.244 1075 P C 0.476 177.723 177.300 -0.089 0.000 1.211 1075 P CA 0.875 63.915 63.100 -0.100 0.000 0.760 1075 P CB 0.085 31.738 31.700 -0.077 0.000 0.961 1076 A N -0.095 122.667 122.820 -0.096 0.000 1.984 1076 A HA 0.016 4.336 4.320 -0.000 0.000 0.214 1076 A C 2.068 179.611 177.584 -0.067 0.000 1.173 1076 A CA 1.233 53.222 52.037 -0.079 0.000 0.673 1076 A CB -1.212 17.739 19.000 -0.081 0.000 0.830 1076 A HN 0.162 nan 8.150 nan 0.000 0.453 1077 T N 0.257 114.764 114.554 -0.078 0.000 3.055 1077 T HA -0.036 4.313 4.350 -0.000 0.000 0.265 1077 T C 1.390 176.054 174.700 -0.059 0.000 1.111 1077 T CA 0.883 62.944 62.100 -0.065 0.000 1.118 1077 T CB -0.037 68.786 68.868 -0.075 0.000 0.909 1077 T HN 0.411 nan 8.240 nan 0.000 0.501 1078 Q N 0.467 120.228 119.800 -0.066 0.000 2.320 1078 Q HA 0.284 4.623 4.340 -0.000 0.000 0.201 1078 Q C 0.393 176.369 176.000 -0.041 0.000 0.910 1078 Q CA 0.103 55.875 55.803 -0.052 0.000 0.946 1078 Q CB -0.210 28.496 28.738 -0.054 0.000 1.062 1078 Q HN 0.548 nan 8.270 nan 0.000 0.503 1079 M N 1.878 121.452 119.600 -0.043 0.000 3.011 1079 M HA 0.081 4.561 4.480 -0.000 0.000 0.292 1079 M C -0.282 176.000 176.300 -0.029 0.000 1.440 1079 M CA 0.205 55.483 55.300 -0.038 0.000 1.552 1079 M CB 0.014 32.589 32.600 -0.042 0.000 1.187 1079 M HN -0.196 nan 8.290 nan 0.000 0.520 1080 T N 4.350 118.889 114.554 -0.025 0.000 3.842 1080 T HA 0.319 4.669 4.350 -0.000 0.000 0.267 1080 T C 0.483 175.173 174.700 -0.018 0.000 1.173 1080 T CA 0.145 62.232 62.100 -0.021 0.000 1.142 1080 T CB -0.481 68.377 68.868 -0.017 0.000 1.191 1080 T HN 0.466 nan 8.240 nan 0.000 0.895 1094 V N -1.380 118.543 119.914 0.016 0.000 2.711 1094 V HA 0.542 4.662 4.120 -0.000 0.000 0.304 1094 V C 0.097 176.200 176.094 0.016 0.000 1.097 1094 V CA -0.940 61.370 62.300 0.017 0.000 0.906 1094 V CB 1.877 33.715 31.823 0.025 0.000 1.015 1094 V HN 0.513 nan 8.190 nan 0.000 0.427 1095 T N 3.437 118.001 114.554 0.016 0.000 2.393 1095 T HA 0.001 4.351 4.350 -0.000 0.000 0.225 1095 T C 0.585 175.294 174.700 0.015 0.000 1.123 1095 T CA 1.585 63.696 62.100 0.017 0.000 1.701 1095 T CB -0.426 68.457 68.868 0.026 0.000 1.100 1095 T HN 1.148 nan 8.240 nan 0.000 0.472 1096 S N 2.872 118.577 115.700 0.008 0.000 2.693 1096 S HA 0.655 5.125 4.470 -0.000 0.000 0.276 1096 S C 1.608 176.204 174.600 -0.007 0.000 1.192 1096 S CA -0.026 58.174 58.200 0.000 0.000 0.994 1096 S CB 0.702 63.900 63.200 -0.003 0.000 1.012 1096 S HN 0.986 nan 8.310 nan 0.000 0.550 1097 G N 2.102 110.891 108.800 -0.019 0.000 2.668 1097 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.838 1097 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.838 1097 G C 1.235 176.122 174.900 -0.022 0.000 1.199 1097 G CA 1.266 46.349 45.100 -0.029 0.000 0.869 1097 G HN 1.261 nan 8.290 nan 0.000 0.699 1098 V N 3.114 123.014 119.914 -0.023 0.000 2.277 1098 V HA -0.324 3.795 4.120 -0.000 0.000 0.255 1098 V C 0.945 177.039 176.094 -0.001 0.000 1.059 1098 V CA 3.952 66.243 62.300 -0.015 0.000 1.096 1098 V CB -2.012 29.804 31.823 -0.012 0.000 0.741 1098 V HN 0.789 nan 8.190 nan 0.000 0.476 1099 P HA -0.218 nan 4.420 nan 0.000 0.215 1099 P C 1.566 178.881 177.300 0.025 0.000 1.153 1099 P CA 2.178 65.289 63.100 0.019 0.000 0.853 1099 P CB -0.193 31.517 31.700 0.016 0.000 0.788 1100 R N 0.612 121.123 120.500 0.018 0.000 2.083 1100 R HA -0.142 4.198 4.340 -0.000 0.000 0.237 1100 R C 2.329 178.642 176.300 0.021 0.000 1.137 1100 R CA 1.332 57.448 56.100 0.026 0.000 0.951 1100 R CB -1.973 28.338 30.300 0.017 0.000 0.851 1100 R HN 0.126 nan 8.270 nan 0.000 0.434 1101 L N 1.091 122.312 121.223 -0.004 0.000 2.013 1101 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 1101 L C 2.052 178.922 176.870 -0.000 0.000 1.073 1101 L CA 2.194 57.020 54.840 -0.023 0.000 0.753 1101 L CB -0.983 41.052 42.059 -0.040 0.000 0.890 1101 L HN 0.338 nan 8.230 nan 0.000 0.432 1102 K N -0.462 119.951 120.400 0.021 0.000 2.026 1102 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 1102 K C 2.160 178.803 176.600 0.072 0.000 1.048 1102 K CA 1.701 58.016 56.287 0.047 0.000 0.929 1102 K CB -0.211 32.328 32.500 0.064 0.000 0.713 1102 K HN 0.562 nan 8.250 nan 0.000 0.439 1103 E N 0.654 120.900 120.200 0.076 0.000 2.114 1103 E HA -0.241 4.108 4.350 -0.000 0.000 0.199 1103 E C 1.851 178.550 176.600 0.165 0.000 1.008 1103 E CA 1.806 58.271 56.400 0.109 0.000 0.810 1103 E CB -0.086 29.674 29.700 0.100 0.000 0.739 1103 E HN 0.334 nan 8.360 nan 0.000 0.456 1104 I N 0.431 121.076 120.570 0.125 0.000 2.072 1104 I HA -0.307 3.862 4.170 -0.000 0.000 0.235 1104 I C 2.489 178.679 176.117 0.121 0.000 1.058 1104 I CA 1.052 62.416 61.300 0.106 0.000 1.320 1104 I CB -0.572 37.367 38.000 -0.101 0.000 1.047 1104 I HN 0.177 nan 8.210 nan 0.000 0.397 1105 L N 0.978 122.229 121.223 0.048 0.000 2.211 1105 L HA -0.271 4.069 4.340 -0.000 0.000 0.216 1105 L C 1.960 178.904 176.870 0.124 0.000 1.092 1105 L CA 1.257 56.132 54.840 0.058 0.000 0.767 1105 L CB -0.875 41.195 42.059 0.018 0.000 0.894 1105 L HN 0.407 nan 8.230 nan 0.000 0.437 1106 N N -0.617 118.170 118.700 0.146 0.000 2.467 1106 N HA 0.014 4.754 4.740 -0.000 0.000 0.184 1106 N C 0.536 176.151 175.510 0.174 0.000 1.106 1106 N CA 0.359 53.505 53.050 0.159 0.000 0.892 1106 N CB 0.732 39.304 38.487 0.141 0.000 0.969 1106 N HN 0.031 nan 8.380 nan 0.000 0.454 1107 V N 1.038 121.095 119.914 0.238 0.000 6.110 1107 V HA -0.265 3.855 4.120 -0.000 0.000 0.322 1107 V C 0.446 176.608 176.094 0.115 0.000 0.518 1107 V CA 0.171 62.611 62.300 0.234 0.000 0.655 1107 V CB -2.457 29.464 31.823 0.164 0.000 0.283 1107 V HN 0.443 nan 8.190 nan 0.000 0.990 1108 A N 1.833 124.745 122.820 0.152 0.000 2.547 1108 A HA -0.036 4.284 4.320 -0.000 0.000 0.269 1108 A C 1.226 178.792 177.584 -0.031 0.000 1.041 1108 A CA 1.128 53.206 52.037 0.070 0.000 0.855 1108 A CB -0.177 18.888 19.000 0.108 0.000 0.934 1108 A HN 0.706 nan 8.150 nan 0.000 0.521 1109 K N 2.013 122.403 120.400 -0.016 0.000 2.668 1109 K HA -0.040 4.279 4.320 -0.000 0.000 0.204 1109 K C 0.096 176.665 176.600 -0.051 0.000 1.016 1109 K CA 0.579 56.840 56.287 -0.045 0.000 1.131 1109 K CB -0.399 32.085 32.500 -0.026 0.000 0.891 1109 K HN 0.956 nan 8.250 nan 0.000 0.499 1110 N N -0.302 118.368 118.700 -0.050 0.000 4.961 1110 N HA -0.064 4.676 4.740 -0.000 0.000 0.150 1110 N C -0.443 175.054 175.510 -0.021 0.000 1.269 1110 N CA -0.320 52.704 53.050 -0.043 0.000 0.971 1110 N CB -0.539 37.929 38.487 -0.031 0.000 1.663 1110 N HN -0.187 nan 8.380 nan 0.000 0.929 1111 M N 1.196 120.782 119.600 -0.024 0.000 2.224 1111 M HA 0.018 4.498 4.480 -0.000 0.000 0.297 1111 M C 1.518 177.822 176.300 0.007 0.000 1.047 1111 M CA 0.557 55.863 55.300 0.010 0.000 1.125 1111 M CB -0.007 32.603 32.600 0.016 0.000 1.413 1111 M HN 0.475 nan 8.290 nan 0.000 0.431 1112 K N 0.272 120.682 120.400 0.017 0.000 2.029 1112 K HA 0.060 4.380 4.320 -0.000 0.000 0.205 1112 K C 0.395 176.997 176.600 0.004 0.000 1.042 1112 K CA 0.946 57.239 56.287 0.010 0.000 0.949 1112 K CB 0.017 32.526 32.500 0.014 0.000 0.740 1112 K HN 0.661 nan 8.250 nan 0.000 0.442 1113 T N 2.685 117.245 114.554 0.010 0.000 2.845 1113 T HA 0.145 4.495 4.350 -0.000 0.000 0.288 1113 T C -2.026 172.673 174.700 -0.001 0.000 0.980 1113 T CA -1.302 60.800 62.100 0.004 0.000 1.071 1113 T CB 1.882 70.755 68.868 0.010 0.000 0.941 1113 T HN 0.141 nan 8.240 nan 0.000 0.487 1114 P HA 0.182 nan 4.420 nan 0.000 0.269 1114 P C 0.501 177.775 177.300 -0.043 0.000 1.169 1114 P CA 0.086 63.170 63.100 -0.027 0.000 0.922 1114 P CB 0.523 32.203 31.700 -0.034 0.000 1.245 1115 S N -0.150 115.529 115.700 -0.036 0.000 2.957 1115 S HA -0.166 4.303 4.470 -0.000 0.000 0.639 1115 S C -0.234 174.325 174.600 -0.068 0.000 3.016 1115 S CA 1.040 59.215 58.200 -0.043 0.000 3.207 1115 S CB -0.783 62.396 63.200 -0.035 0.000 0.330 1115 S HN 0.397 nan 8.310 nan 0.000 1.794 1116 L N 1.468 122.648 121.223 -0.072 0.000 3.305 1116 L HA 0.319 4.659 4.340 -0.000 0.000 0.215 1116 L C -0.243 176.584 176.870 -0.073 0.000 1.032 1116 L CA 0.386 55.178 54.840 -0.080 0.000 1.264 1116 L CB 0.109 42.139 42.059 -0.049 0.000 1.536 1116 L HN 0.631 nan 8.230 nan 0.000 0.685 1117 T N 2.922 117.425 114.554 -0.085 0.000 2.769 1117 T HA 0.536 4.886 4.350 -0.000 0.000 0.293 1117 T C 0.232 174.795 174.700 -0.227 0.000 0.931 1117 T CA 0.399 62.417 62.100 -0.136 0.000 1.139 1117 T CB 0.385 69.219 68.868 -0.056 0.000 0.881 1117 T HN 0.577 nan 8.240 nan 0.000 0.532 1118 V N 2.624 122.382 119.914 -0.260 0.000 2.513 1118 V HA 0.671 4.791 4.120 -0.000 0.000 0.299 1118 V C -1.074 174.838 176.094 -0.304 0.000 1.035 1118 V CA -1.265 60.918 62.300 -0.195 0.000 0.889 1118 V CB 0.729 32.521 31.823 -0.051 0.000 0.988 1118 V HN 0.695 nan 8.190 nan 0.000 0.440 1119 Y N 3.814 124.166 120.300 0.087 0.000 2.361 1119 Y HA 0.720 5.270 4.550 -0.000 0.000 0.332 1119 Y C 0.295 176.231 175.900 0.061 0.000 1.101 1119 Y CA -1.170 56.976 58.100 0.076 0.000 1.137 1119 Y CB 1.543 40.056 38.460 0.088 0.000 1.207 1119 Y HN 0.687 nan 8.280 nan 0.000 0.463 1120 L N -0.279 121.067 121.223 0.204 0.000 2.476 1120 L HA 0.261 4.601 4.340 -0.000 0.000 0.264 1120 L C 0.323 177.226 176.870 0.055 0.000 1.224 1120 L CA -0.861 54.060 54.840 0.134 0.000 0.821 1120 L CB -0.039 42.106 42.059 0.144 0.000 1.101 1120 L HN 0.545 nan 8.230 nan 0.000 0.488 1121 E N 1.014 121.210 120.200 -0.007 0.000 2.422 1121 E HA 0.042 4.392 4.350 -0.000 0.000 0.260 1121 E C -1.687 174.644 176.600 -0.448 0.000 1.108 1121 E CA -0.992 55.320 56.400 -0.147 0.000 0.943 1121 E CB 0.297 30.033 29.700 0.060 0.000 0.961 1121 E HN 0.493 nan 8.360 nan 0.000 0.443 1122 P HA -0.332 nan 4.420 nan 0.000 0.236 1122 P C 0.945 178.071 177.300 -0.290 0.000 0.865 1122 P CA 1.851 64.822 63.100 -0.215 0.000 1.105 1122 P CB -0.290 31.344 31.700 -0.110 0.000 0.694 1123 G N 0.561 109.233 108.800 -0.213 0.000 2.875 1123 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.220 1123 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.220 1123 G C 0.129 175.009 174.900 -0.033 0.000 1.293 1123 G CA 1.644 46.718 45.100 -0.044 0.000 0.789 1123 G HN 0.641 nan 8.290 nan 0.000 0.677 1124 H N 1.445 120.545 119.070 0.051 0.000 4.854 1124 H HA 0.275 4.831 4.556 -0.000 0.000 0.158 1124 H C 0.998 176.384 175.328 0.097 0.000 0.697 1124 H CA 0.366 56.450 56.048 0.060 0.000 1.332 1124 H CB -1.112 28.676 29.762 0.043 0.000 1.529 1124 H HN 0.387 nan 8.280 nan 0.000 0.903 1125 A N 3.031 125.938 122.820 0.145 0.000 2.283 1125 A HA 0.448 4.768 4.320 -0.000 0.000 0.225 1125 A C 2.233 180.002 177.584 0.308 0.000 2.109 1125 A CA 0.416 52.558 52.037 0.175 0.000 0.889 1125 A CB -0.810 18.258 19.000 0.113 0.000 1.437 1125 A HN 0.579 nan 8.150 nan 0.000 0.595 1126 A N 0.108 123.095 122.820 0.278 0.000 2.272 1126 A HA -0.062 4.258 4.320 -0.000 0.000 0.213 1126 A C 0.879 178.636 177.584 0.288 0.000 1.183 1126 A CA 1.123 53.393 52.037 0.387 0.000 0.719 1126 A CB -0.807 18.334 19.000 0.234 0.000 0.771 1126 A HN 0.437 nan 8.150 nan 0.000 0.484 1127 D N 0.350 120.856 120.400 0.176 0.000 2.479 1127 D HA 0.005 4.645 4.640 -0.000 0.000 0.253 1127 D C 1.419 177.611 176.300 -0.180 0.000 1.278 1127 D CA 0.220 54.239 54.000 0.033 0.000 1.145 1127 D CB 0.208 41.057 40.800 0.081 0.000 1.118 1127 D HN 0.489 nan 8.370 nan 0.000 0.513 1128 Q N 2.875 122.461 119.800 -0.357 0.000 2.103 1128 Q HA -0.282 4.058 4.340 -0.000 0.000 0.213 1128 Q C 1.631 177.293 176.000 -0.563 0.000 1.008 1128 Q CA 2.375 57.701 55.803 -0.794 0.000 0.879 1128 Q CB -0.227 28.202 28.738 -0.514 0.000 0.946 1128 Q HN 0.652 nan 8.270 nan 0.000 0.413 1129 E N -1.085 118.933 120.200 -0.303 0.000 2.072 1129 E HA -0.264 4.086 4.350 -0.000 0.000 0.191 1129 E C 2.000 178.506 176.600 -0.157 0.000 0.985 1129 E CA 1.046 57.318 56.400 -0.213 0.000 0.801 1129 E CB -0.163 29.452 29.700 -0.141 0.000 0.750 1129 E HN 0.470 nan 8.360 nan 0.000 0.452 1130 Q N 0.997 120.732 119.800 -0.109 0.000 2.182 1130 Q HA -0.264 4.076 4.340 -0.000 0.000 0.213 1130 Q C 1.722 177.699 176.000 -0.037 0.000 1.000 1130 Q CA 2.360 58.140 55.803 -0.038 0.000 0.889 1130 Q CB -0.629 28.140 28.738 0.052 0.000 0.932 1130 Q HN 0.379 nan 8.270 nan 0.000 0.415 1131 A N 0.458 123.227 122.820 -0.086 0.000 1.829 1131 A HA -0.282 4.037 4.320 -0.000 0.000 0.216 1131 A C 1.940 179.472 177.584 -0.086 0.000 1.207 1131 A CA 2.108 54.105 52.037 -0.066 0.000 0.622 1131 A CB -0.766 18.152 19.000 -0.136 0.000 0.846 1131 A HN 0.484 nan 8.150 nan 0.000 0.447 1132 K N -0.404 119.905 120.400 -0.151 0.000 2.066 1132 K HA -0.260 4.060 4.320 -0.000 0.000 0.221 1132 K C 1.905 178.451 176.600 -0.089 0.000 1.056 1132 K CA 1.969 58.174 56.287 -0.137 0.000 0.950 1132 K CB -0.829 31.575 32.500 -0.160 0.000 0.726 1132 K HN 0.494 nan 8.250 nan 0.000 0.456 1133 L N 0.691 121.867 121.223 -0.078 0.000 1.929 1133 L HA -0.288 4.052 4.340 -0.000 0.000 0.229 1133 L C 2.485 179.336 176.870 -0.031 0.000 1.086 1133 L CA 1.728 56.537 54.840 -0.052 0.000 0.798 1133 L CB -0.776 41.254 42.059 -0.048 0.000 0.898 1133 L HN 0.236 nan 8.230 nan 0.000 0.436 1134 I N -0.827 119.735 120.570 -0.014 0.000 2.229 1134 I HA -0.373 3.797 4.170 -0.000 0.000 0.250 1134 I C 2.856 178.976 176.117 0.004 0.000 1.096 1134 I CA 1.405 62.709 61.300 0.006 0.000 1.358 1134 I CB -0.673 37.346 38.000 0.030 0.000 1.047 1134 I HN 0.413 nan 8.210 nan 0.000 0.422 1135 R N 1.374 121.871 120.500 -0.005 0.000 2.081 1135 R HA -0.146 4.193 4.340 -0.000 0.000 0.235 1135 R C 2.165 178.468 176.300 0.005 0.000 1.131 1135 R CA 2.171 58.272 56.100 0.002 0.000 0.960 1135 R CB -0.384 29.909 30.300 -0.012 0.000 0.856 1135 R HN 0.320 nan 8.270 nan 0.000 0.436 1136 S N 0.269 115.960 115.700 -0.016 0.000 2.481 1136 S HA 0.018 4.488 4.470 -0.000 0.000 0.231 1136 S C 1.563 176.158 174.600 -0.008 0.000 0.996 1136 S CA 0.786 58.977 58.200 -0.015 0.000 0.942 1136 S CB 0.170 63.349 63.200 -0.036 0.000 0.768 1136 S HN 0.509 nan 8.310 nan 0.000 0.520 1137 A N 0.911 123.729 122.820 -0.003 0.000 2.275 1137 A HA 0.363 4.683 4.320 -0.000 0.000 0.212 1137 A C 1.606 179.199 177.584 0.014 0.000 1.201 1137 A CA 0.129 52.167 52.037 0.001 0.000 0.843 1137 A CB -0.430 18.570 19.000 0.000 0.000 0.873 1137 A HN 0.653 nan 8.150 nan 0.000 0.492 1138 I N -5.393 115.190 120.570 0.023 0.000 4.774 1138 I HA 0.274 4.444 4.170 -0.000 0.000 0.330 1138 I C 0.827 176.978 176.117 0.057 0.000 1.287 1138 I CA 0.004 61.326 61.300 0.037 0.000 1.311 1138 I CB -0.015 38.004 38.000 0.031 0.000 1.315 1138 I HN 0.079 nan 8.210 nan 0.000 0.459 1139 E N 3.564 123.798 120.200 0.056 0.000 2.127 1139 E HA -0.098 4.251 4.350 -0.000 0.000 0.295 1139 E C -0.173 176.483 176.600 0.094 0.000 1.155 1139 E CA -0.218 56.228 56.400 0.078 0.000 1.201 1139 E CB -0.561 29.193 29.700 0.089 0.000 1.083 1139 E HN 0.401 nan 8.360 nan 0.000 0.472 1140 H N 1.299 120.372 119.070 0.004 0.000 3.123 1140 H HA -0.201 4.355 4.556 -0.000 0.000 0.275 1140 H C -1.083 174.244 175.328 -0.002 0.000 0.864 1140 H CA 1.416 57.462 56.048 -0.003 0.000 1.398 1140 H CB 0.284 30.042 29.762 -0.007 0.000 1.228 1140 H HN 0.183 nan 8.280 nan 0.000 0.552 1141 T N 5.161 119.458 114.554 -0.428 0.000 2.971 1141 T HA 0.430 4.780 4.350 -0.000 0.000 0.304 1141 T C -0.576 173.896 174.700 -0.380 0.000 1.038 1141 T CA -0.332 61.591 62.100 -0.295 0.000 1.007 1141 T CB 1.348 70.133 68.868 -0.138 0.000 1.055 1141 T HN 0.761 nan 8.240 nan 0.000 0.451 1142 T N 0.472 114.874 114.554 -0.254 0.000 2.924 1142 T HA 0.531 4.881 4.350 -0.000 0.000 0.291 1142 T C 1.232 175.880 174.700 -0.086 0.000 1.045 1142 T CA -0.918 61.080 62.100 -0.170 0.000 1.015 1142 T CB 1.306 70.114 68.868 -0.100 0.000 1.103 1142 T HN 0.265 nan 8.240 nan 0.000 0.496 1143 L N 1.576 122.761 121.223 -0.062 0.000 2.054 1143 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 1143 L C 2.511 179.365 176.870 -0.026 0.000 1.081 1143 L CA 2.258 57.075 54.840 -0.039 0.000 0.780 1143 L CB -0.978 41.073 42.059 -0.014 0.000 0.893 1143 L HN 0.950 nan 8.230 nan 0.000 0.438 1144 K N -0.837 119.554 120.400 -0.014 0.000 2.113 1144 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 1144 K C 2.031 178.627 176.600 -0.008 0.000 1.047 1144 K CA 1.643 57.927 56.287 -0.004 0.000 0.928 1144 K CB -0.199 32.306 32.500 0.007 0.000 0.716 1144 K HN 0.717 nan 8.250 nan 0.000 0.446 1145 S N -0.469 115.221 115.700 -0.017 0.000 2.481 1145 S HA -0.071 4.399 4.470 -0.000 0.000 0.231 1145 S C 1.689 176.279 174.600 -0.017 0.000 0.996 1145 S CA 0.992 59.183 58.200 -0.015 0.000 0.942 1145 S CB 0.003 63.190 63.200 -0.021 0.000 0.768 1145 S HN 0.216 nan 8.310 nan 0.000 0.520 1146 V N -1.977 117.923 119.914 -0.023 0.000 3.635 1146 V HA 0.248 4.368 4.120 -0.000 0.000 0.266 1146 V C 0.596 176.680 176.094 -0.017 0.000 1.316 1146 V CA -0.067 62.219 62.300 -0.023 0.000 1.060 1146 V CB -0.941 30.861 31.823 -0.036 0.000 0.820 1146 V HN 0.268 nan 8.190 nan 0.000 0.447 1147 T N 2.367 116.913 114.554 -0.014 0.000 2.834 1147 T HA 0.464 4.814 4.350 -0.000 0.000 0.298 1147 T C 1.248 175.947 174.700 -0.001 0.000 0.966 1147 T CA 0.298 62.394 62.100 -0.007 0.000 1.141 1147 T CB 1.392 70.258 68.868 -0.003 0.000 0.905 1147 T HN 0.258 nan 8.240 nan 0.000 0.535 1148 I N 1.439 122.010 120.570 0.002 0.000 2.494 1148 I HA 0.317 4.487 4.170 -0.000 0.000 0.250 1148 I C 1.211 177.333 176.117 0.009 0.000 1.112 1148 I CA 0.223 61.526 61.300 0.005 0.000 1.438 1148 I CB -0.019 37.984 38.000 0.006 0.000 1.111 1148 I HN 0.643 nan 8.210 nan 0.000 0.431 1149 A N 0.287 123.115 122.820 0.013 0.000 2.590 1149 A HA 0.584 4.904 4.320 -0.000 0.000 0.296 1149 A C -0.718 176.883 177.584 0.027 0.000 1.050 1149 A CA -0.494 51.554 52.037 0.019 0.000 0.697 1149 A CB 0.862 19.876 19.000 0.023 0.000 1.277 1149 A HN 0.114 nan 8.150 nan 0.000 0.411 1150 S N 0.671 116.388 115.700 0.028 0.000 2.568 1150 S HA 0.930 5.400 4.470 -0.000 0.000 0.302 1150 S C -0.629 174.005 174.600 0.056 0.000 1.082 1150 S CA -0.579 57.644 58.200 0.038 0.000 1.009 1150 S CB 1.862 65.076 63.200 0.022 0.000 1.069 1150 S HN 0.752 nan 8.310 nan 0.000 0.500 1151 E N 0.349 120.611 120.200 0.103 0.000 2.413 1151 E HA 0.533 4.883 4.350 -0.000 0.000 0.277 1151 E C -1.236 175.477 176.600 0.188 0.000 0.958 1151 E CA -0.860 55.622 56.400 0.137 0.000 0.779 1151 E CB 2.171 32.037 29.700 0.276 0.000 1.278 1151 E HN 0.750 nan 8.360 nan 0.000 0.456 1152 I N 0.094 120.736 120.570 0.120 0.000 2.466 1152 I HA 0.441 4.611 4.170 -0.000 0.000 0.279 1152 I C -1.069 175.171 176.117 0.206 0.000 1.033 1152 I CA -0.909 60.480 61.300 0.149 0.000 1.123 1152 I CB 0.132 38.109 38.000 -0.039 0.000 1.237 1152 I HN 0.349 nan 8.210 nan 0.000 0.460 1153 Y N 3.920 124.300 120.300 0.132 0.000 2.408 1153 Y HA 0.382 4.932 4.550 -0.000 0.000 0.324 1153 Y C -0.343 175.816 175.900 0.432 0.000 1.302 1153 Y CA -0.844 57.385 58.100 0.216 0.000 1.384 1153 Y CB 0.612 39.154 38.460 0.137 0.000 1.367 1153 Y HN 0.491 nan 8.280 nan 0.000 0.525 1154 Y N 1.643 122.234 120.300 0.485 0.000 2.369 1154 Y HA 0.351 4.901 4.550 -0.000 0.000 0.337 1154 Y C -0.947 175.048 175.900 0.159 0.000 0.961 1154 Y CA -0.906 57.408 58.100 0.357 0.000 1.186 1154 Y CB 0.559 39.149 38.460 0.216 0.000 1.139 1154 Y HN 0.534 nan 8.280 nan 0.000 0.494 1155 D N 9.125 129.279 120.400 -0.411 0.000 2.364 1155 D HA 0.195 4.835 4.640 -0.000 0.000 0.251 1155 D C -2.295 173.720 176.300 -0.476 0.000 1.282 1155 D CA -1.425 52.374 54.000 -0.334 0.000 0.927 1155 D CB 2.022 42.760 40.800 -0.103 0.000 1.267 1155 D HN 0.336 nan 8.370 nan 0.000 0.531 1156 P HA -0.028 nan 4.420 nan 0.000 0.233 1156 P C 0.217 177.386 177.300 -0.219 0.000 1.167 1156 P CA 0.311 63.119 63.100 -0.488 0.000 0.770 1156 P CB 0.500 31.928 31.700 -0.453 0.000 0.837 1157 D N 2.008 122.312 120.400 -0.159 0.000 2.441 1157 D HA 0.109 4.749 4.640 -0.000 0.000 0.221 1157 D C -1.531 174.750 176.300 -0.032 0.000 1.156 1157 D CA -2.595 51.362 54.000 -0.072 0.000 0.896 1157 D CB 0.517 41.289 40.800 -0.045 0.000 1.028 1157 D HN 0.071 nan 8.370 nan 0.000 0.509 1158 P HA -0.019 nan 4.420 nan 0.000 0.269 1158 P C 0.325 177.716 177.300 0.152 0.000 1.376 1158 P CA 0.171 63.301 63.100 0.050 0.000 0.775 1158 P CB 0.293 31.993 31.700 -0.001 0.000 1.345 1159 R N -0.735 119.833 120.500 0.113 0.000 2.453 1159 R HA 0.221 4.561 4.340 -0.000 0.000 0.233 1159 R C 0.841 177.118 176.300 -0.038 0.000 0.895 1159 R CA 0.412 56.613 56.100 0.169 0.000 1.028 1159 R CB 0.666 31.068 30.300 0.169 0.000 1.255 1159 R HN 0.338 nan 8.270 nan 0.000 0.571 1160 S N -1.066 114.606 115.700 -0.047 0.000 2.595 1160 S HA 0.410 4.880 4.470 -0.000 0.000 0.270 1160 S C -0.973 173.585 174.600 -0.069 0.000 1.145 1160 S CA -0.690 57.458 58.200 -0.087 0.000 0.825 1160 S CB 2.339 65.495 63.200 -0.073 0.000 1.107 1160 S HN -0.104 nan 8.310 nan 0.000 0.461 1161 T N 1.650 116.157 114.554 -0.078 0.000 2.856 1161 T HA 0.450 4.800 4.350 -0.000 0.000 0.283 1161 T C 1.185 175.858 174.700 -0.045 0.000 1.008 1161 T CA -0.593 61.464 62.100 -0.072 0.000 0.997 1161 T CB 1.585 70.387 68.868 -0.110 0.000 0.992 1161 T HN 0.710 nan 8.240 nan 0.000 0.454 1162 V N 2.476 122.383 119.914 -0.010 0.000 3.140 1162 V HA -0.049 4.071 4.120 -0.000 0.000 0.269 1162 V C 0.778 176.885 176.094 0.023 0.000 1.149 1162 V CA 1.329 63.647 62.300 0.031 0.000 1.162 1162 V CB -1.221 30.660 31.823 0.097 0.000 0.756 1162 V HN 0.658 nan 8.190 nan 0.000 0.523 1163 I N 1.682 122.234 120.570 -0.029 0.000 2.377 1163 I HA 0.252 4.422 4.170 -0.000 0.000 0.293 1163 I C -0.963 175.123 176.117 -0.052 0.000 0.987 1163 I CA -2.007 59.266 61.300 -0.045 0.000 1.185 1163 I CB 1.929 39.845 38.000 -0.140 0.000 1.341 1163 I HN -0.052 nan 8.210 nan 0.000 0.455 1164 P HA -0.148 nan 4.420 nan 0.000 0.213 1164 P C 1.051 178.325 177.300 -0.042 0.000 1.169 1164 P CA 1.376 64.457 63.100 -0.032 0.000 0.885 1164 P CB 0.053 31.743 31.700 -0.015 0.000 0.779 1165 E N 0.232 120.410 120.200 -0.035 0.000 2.279 1165 E HA -0.258 4.092 4.350 -0.000 0.000 0.205 1165 E C 1.100 177.668 176.600 -0.052 0.000 1.028 1165 E CA 1.702 58.080 56.400 -0.036 0.000 0.830 1165 E CB -0.927 28.756 29.700 -0.028 0.000 0.736 1165 E HN 0.250 nan 8.360 nan 0.000 0.478 1166 D N 0.279 120.634 120.400 -0.075 0.000 2.196 1166 D HA -0.079 4.561 4.640 -0.000 0.000 0.228 1166 D C 1.112 177.359 176.300 -0.089 0.000 1.028 1166 D CA 0.977 54.923 54.000 -0.090 0.000 0.924 1166 D CB -0.047 40.679 40.800 -0.124 0.000 1.025 1166 D HN 0.059 nan 8.370 nan 0.000 0.438 1167 E N 0.254 120.394 120.200 -0.100 0.000 3.601 1167 E HA -0.404 3.946 4.350 -0.000 0.000 0.482 1167 E C 1.673 178.198 176.600 -0.125 0.000 1.651 1167 E CA 2.112 58.446 56.400 -0.110 0.000 1.195 1167 E CB -1.234 28.416 29.700 -0.083 0.000 1.154 1167 E HN 0.461 nan 8.360 nan 0.000 0.376 1168 E N 0.694 120.836 120.200 -0.096 0.000 2.217 1168 E HA -0.259 4.091 4.350 -0.000 0.000 0.219 1168 E C 2.220 178.764 176.600 -0.094 0.000 1.070 1168 E CA 2.100 58.448 56.400 -0.087 0.000 0.889 1168 E CB -0.618 29.049 29.700 -0.055 0.000 0.768 1168 E HN 0.495 nan 8.360 nan 0.000 0.465 1169 I N 0.564 121.080 120.570 -0.089 0.000 2.623 1169 I HA -0.273 3.897 4.170 -0.000 0.000 0.261 1169 I C 2.043 178.102 176.117 -0.098 0.000 1.204 1169 I CA 0.862 62.111 61.300 -0.086 0.000 1.444 1169 I CB -0.438 37.502 38.000 -0.100 0.000 1.094 1169 I HN 0.147 nan 8.210 nan 0.000 0.451 1170 I N -0.052 120.413 120.570 -0.175 0.000 2.490 1170 I HA -0.178 3.992 4.170 -0.000 0.000 0.234 1170 I C 2.524 178.374 176.117 -0.445 0.000 1.066 1170 I CA 0.701 61.804 61.300 -0.328 0.000 1.405 1170 I CB -0.584 37.132 38.000 -0.474 0.000 1.191 1170 I HN 0.013 nan 8.210 nan 0.000 0.433 1171 Q N 1.350 120.868 119.800 -0.470 0.000 2.096 1171 Q HA -0.194 4.146 4.340 -0.000 0.000 0.208 1171 Q C 2.177 178.155 176.000 -0.036 0.000 0.993 1171 Q CA 1.789 57.424 55.803 -0.279 0.000 0.862 1171 Q CB -0.713 27.929 28.738 -0.161 0.000 0.915 1171 Q HN 0.452 nan 8.270 nan 0.000 0.416 1172 L N -0.372 120.825 121.223 -0.043 0.000 2.079 1172 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 1172 L C 2.443 179.334 176.870 0.034 0.000 1.081 1172 L CA 1.272 56.111 54.840 -0.003 0.000 0.752 1172 L CB -0.584 41.465 42.059 -0.017 0.000 0.896 1172 L HN 0.452 nan 8.230 nan 0.000 0.433 1173 H N -0.985 118.074 119.070 -0.017 0.000 2.533 1173 H HA 0.002 4.558 4.556 -0.000 0.000 0.271 1173 H C 1.453 176.926 175.328 0.241 0.000 1.000 1173 H CA 0.249 56.318 56.048 0.034 0.000 1.149 1173 H CB 0.460 30.203 29.762 -0.032 0.000 1.375 1173 H HN 0.185 nan 8.280 nan 0.000 0.582 1174 F N 0.992 120.947 119.950 0.008 0.000 2.383 1174 F HA 0.038 4.565 4.527 -0.000 0.000 0.287 1174 F C 1.490 177.252 175.800 -0.062 0.000 1.069 1174 F CA 0.334 58.332 58.000 -0.002 0.000 1.402 1174 F CB -0.521 38.484 39.000 0.009 0.000 1.116 1174 F HN 0.012 nan 8.300 nan 0.000 0.549 1175 S N 1.484 117.264 115.700 0.133 0.000 2.670 1175 S HA 0.325 4.795 4.470 -0.000 0.000 0.328 1175 S C 0.508 175.083 174.600 -0.042 0.000 1.179 1175 S CA 0.191 58.409 58.200 0.030 0.000 1.194 1175 S CB 0.301 63.515 63.200 0.023 0.000 1.359 1175 S HN 0.511 nan 8.310 nan 0.000 0.555 1176 L N 1.532 122.718 121.223 -0.062 0.000 1.389 1176 L HA 0.000 4.340 4.340 -0.000 0.000 0.363 1176 L C -0.294 176.520 176.870 -0.092 0.000 1.139 1176 L CA -0.010 54.778 54.840 -0.087 0.000 1.913 1176 L CB -1.050 40.927 42.059 -0.136 0.000 2.021 1176 L HN 0.564 nan 8.230 nan 0.000 0.519 1177 L N 2.577 123.733 121.223 -0.111 0.000 2.552 1177 L HA -0.126 4.214 4.340 -0.000 0.000 0.315 1177 L C 0.791 177.606 176.870 -0.092 0.000 1.301 1177 L CA 0.724 55.499 54.840 -0.109 0.000 0.840 1177 L CB -0.288 41.678 42.059 -0.155 0.000 1.067 1177 L HN 0.295 nan 8.230 nan 0.000 0.558 1178 D N -0.033 120.317 120.400 -0.084 0.000 2.123 1178 D HA -0.139 4.501 4.640 -0.000 0.000 0.230 1178 D C 0.051 176.311 176.300 -0.067 0.000 1.406 1178 D CA 0.810 54.769 54.000 -0.069 0.000 0.896 1178 D CB 0.386 41.143 40.800 -0.071 0.000 1.365 1178 D HN 0.530 nan 8.370 nan 0.000 0.543 1188 Q N 0.829 120.593 119.800 -0.060 0.000 3.079 1188 Q HA 0.630 4.970 4.340 -0.000 0.000 0.206 1188 Q C -0.682 175.322 176.000 0.007 0.000 1.168 1188 Q CA -0.155 55.628 55.803 -0.033 0.000 0.338 1188 Q CB 1.343 30.045 28.738 -0.060 0.000 5.762 1188 Q HN 0.079 nan 8.270 nan 0.000 0.302 1189 S N 0.229 115.944 115.700 0.025 0.000 2.543 1189 S HA 0.339 4.809 4.470 -0.000 0.000 0.271 1189 S C -2.422 172.171 174.600 -0.011 0.000 1.148 1189 S CA -1.529 56.694 58.200 0.037 0.000 0.914 1189 S CB 1.505 64.785 63.200 0.132 0.000 1.096 1189 S HN 0.277 nan 8.310 nan 0.000 0.471 1190 P HA 0.041 nan 4.420 nan 0.000 0.229 1190 P C -0.072 177.051 177.300 -0.295 0.000 1.160 1190 P CA 0.233 63.128 63.100 -0.343 0.000 0.777 1190 P CB -0.040 31.333 31.700 -0.545 0.000 0.814 1191 W N 1.343 122.629 121.300 -0.023 0.000 2.529 1191 W HA 0.252 4.912 4.660 -0.000 0.000 0.319 1191 W C 0.496 177.027 176.519 0.019 0.000 1.362 1191 W CA -1.152 56.212 57.345 0.031 0.000 1.348 1191 W CB 0.259 29.763 29.460 0.074 0.000 1.403 1191 W HN -0.077 nan 8.180 nan 0.000 0.519 1192 L N 6.433 127.907 121.223 0.419 0.000 2.312 1192 L HA 0.545 4.884 4.340 -0.000 0.000 0.281 1192 L C -1.014 175.968 176.870 0.187 0.000 1.070 1192 L CA -0.621 54.351 54.840 0.221 0.000 0.805 1192 L CB 0.722 42.876 42.059 0.159 0.000 1.174 1192 L HN 0.292 nan 8.230 nan 0.000 0.434 1193 L N 5.970 127.246 121.223 0.088 0.000 2.372 1193 L HA 0.579 4.918 4.340 -0.000 0.000 0.274 1193 L C -0.998 175.883 176.870 0.018 0.000 0.988 1193 L CA -0.399 54.472 54.840 0.052 0.000 0.833 1193 L CB 1.142 43.201 42.059 -0.000 0.000 1.236 1193 L HN 0.845 nan 8.230 nan 0.000 0.410 1194 R N 6.130 126.657 120.500 0.045 0.000 2.422 1194 R HA 0.657 4.997 4.340 -0.000 0.000 0.307 1194 R C -1.645 174.670 176.300 0.025 0.000 1.004 1194 R CA -0.563 55.536 56.100 -0.002 0.000 0.882 1194 R CB 0.766 31.014 30.300 -0.087 0.000 1.164 1194 R HN 0.729 nan 8.270 nan 0.000 0.489 1195 L N 2.320 123.547 121.223 0.007 0.000 2.357 1195 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 1195 L C 0.061 176.935 176.870 0.007 0.000 1.080 1195 L CA -0.663 54.184 54.840 0.012 0.000 0.803 1195 L CB 1.469 43.530 42.059 0.003 0.000 1.174 1195 L HN 0.599 nan 8.230 nan 0.000 0.443 1196 E N 2.998 123.205 120.200 0.012 0.000 2.165 1196 E HA 0.502 4.852 4.350 -0.000 0.000 0.266 1196 E C -1.404 175.197 176.600 0.002 0.000 0.889 1196 E CA -0.639 55.766 56.400 0.008 0.000 0.756 1196 E CB 1.481 31.191 29.700 0.017 0.000 1.131 1196 E HN 0.501 nan 8.360 nan 0.000 0.411 1197 L N 2.740 123.960 121.223 -0.004 0.000 2.399 1197 L HA 0.379 4.719 4.340 -0.000 0.000 0.265 1197 L C 0.474 177.339 176.870 -0.008 0.000 1.089 1197 L CA -0.813 54.020 54.840 -0.011 0.000 0.802 1197 L CB 0.899 42.944 42.059 -0.024 0.000 1.180 1197 L HN 0.521 nan 8.230 nan 0.000 0.454 1198 D N 0.605 120.999 120.400 -0.009 0.000 2.210 1198 D HA 0.164 4.804 4.640 -0.000 0.000 0.249 1198 D C 0.773 177.068 176.300 -0.008 0.000 1.078 1198 D CA -0.205 53.792 54.000 -0.006 0.000 0.875 1198 D CB 1.573 42.370 40.800 -0.005 0.000 1.175 1198 D HN 0.423 nan 8.370 nan 0.000 0.440 1199 R N 2.258 122.755 120.500 -0.005 0.000 2.075 1199 R HA -0.125 4.214 4.340 -0.000 0.000 0.230 1199 R C 2.086 178.382 176.300 -0.005 0.000 1.140 1199 R CA 1.611 57.709 56.100 -0.005 0.000 0.928 1199 R CB -0.346 29.952 30.300 -0.002 0.000 0.834 1199 R HN 0.558 nan 8.270 nan 0.000 0.429 1200 A N 1.206 124.024 122.820 -0.003 0.000 1.903 1200 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 1200 A C 2.367 179.951 177.584 0.000 0.000 1.191 1200 A CA 2.206 54.243 52.037 -0.000 0.000 0.638 1200 A CB -0.945 18.056 19.000 0.002 0.000 0.823 1200 A HN 0.494 nan 8.150 nan 0.000 0.451 1201 A N -1.255 121.564 122.820 -0.002 0.000 1.902 1201 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 1201 A C 1.963 179.542 177.584 -0.009 0.000 1.181 1201 A CA 1.870 53.905 52.037 -0.003 0.000 0.623 1201 A CB -0.447 18.549 19.000 -0.007 0.000 0.818 1201 A HN 0.434 nan 8.150 nan 0.000 0.443 1202 M N 0.419 120.009 119.600 -0.015 0.000 2.722 1202 M HA 0.014 4.494 4.480 -0.000 0.000 0.238 1202 M C 0.677 176.964 176.300 -0.021 0.000 1.098 1202 M CA 0.599 55.884 55.300 -0.024 0.000 1.062 1202 M CB -1.153 31.430 32.600 -0.028 0.000 1.573 1202 M HN 0.454 nan 8.290 nan 0.000 0.531 1203 N N -0.469 118.223 118.700 -0.013 0.000 2.672 1203 N HA -0.044 4.696 4.740 -0.000 0.000 0.229 1203 N C 1.140 176.644 175.510 -0.010 0.000 1.043 1203 N CA 0.316 53.358 53.050 -0.013 0.000 0.932 1203 N CB -0.062 38.419 38.487 -0.009 0.000 1.500 1203 N HN 0.304 nan 8.380 nan 0.000 0.445 1204 D N 1.145 121.548 120.400 0.006 0.000 2.384 1204 D HA -0.080 4.560 4.640 -0.000 0.000 0.222 1204 D C 0.493 176.812 176.300 0.032 0.000 0.976 1204 D CA 0.905 54.920 54.000 0.025 0.000 0.915 1204 D CB 0.339 41.173 40.800 0.057 0.000 0.896 1204 D HN 0.202 nan 8.370 nan 0.000 0.523 1205 K N 0.261 120.667 120.400 0.010 0.000 2.483 1205 K HA 0.014 4.334 4.320 -0.000 0.000 0.206 1205 K C -0.644 175.943 176.600 -0.021 0.000 1.086 1205 K CA -0.440 55.850 56.287 0.005 0.000 1.052 1205 K CB 1.168 33.671 32.500 0.005 0.000 0.904 1205 K HN -0.086 nan 8.250 nan 0.000 0.557 1206 D N 1.600 121.984 120.400 -0.027 0.000 4.597 1206 D HA -0.193 4.447 4.640 -0.000 0.000 0.234 1206 D C -1.103 175.173 176.300 -0.039 0.000 1.052 1206 D CA 1.108 55.087 54.000 -0.035 0.000 1.265 1206 D CB -0.239 40.536 40.800 -0.041 0.000 0.738 1206 D HN 0.161 nan 8.370 nan 0.000 0.372 1207 L N 1.886 123.085 121.223 -0.041 0.000 2.491 1207 L HA 0.601 4.941 4.340 -0.000 0.000 0.254 1207 L C 0.011 176.849 176.870 -0.054 0.000 1.048 1207 L CA -0.826 53.982 54.840 -0.053 0.000 0.855 1207 L CB 2.532 44.555 42.059 -0.061 0.000 1.466 1207 L HN 0.242 nan 8.230 nan 0.000 0.409 1208 T N 0.522 115.030 114.554 -0.076 0.000 2.928 1208 T HA 0.298 4.648 4.350 -0.000 0.000 0.296 1208 T C 0.814 175.427 174.700 -0.145 0.000 1.000 1208 T CA -0.639 61.414 62.100 -0.079 0.000 0.989 1208 T CB 1.857 70.687 68.868 -0.062 0.000 1.005 1208 T HN 0.401 nan 8.240 nan 0.000 0.442 1209 M N 1.768 121.289 119.600 -0.133 0.000 2.082 1209 M HA -0.084 4.395 4.480 -0.000 0.000 0.258 1209 M C 2.523 178.472 176.300 -0.585 0.000 1.069 1209 M CA 2.118 57.270 55.300 -0.247 0.000 1.102 1209 M CB -1.647 30.914 32.600 -0.065 0.000 1.336 1209 M HN 0.853 nan 8.290 nan 0.000 0.404 1210 G N -0.024 108.565 108.800 -0.352 0.000 2.553 1210 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 1210 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 1210 G C 1.431 176.037 174.900 -0.491 0.000 1.195 1210 G CA 1.074 45.968 45.100 -0.343 0.000 0.779 1210 G HN 0.551 nan 8.290 nan 0.000 0.577 1211 Q N -0.205 119.433 119.800 -0.270 0.000 1.906 1211 Q HA -0.185 4.155 4.340 -0.000 0.000 0.221 1211 Q C 2.774 178.586 176.000 -0.314 0.000 1.021 1211 Q CA 2.128 57.800 55.803 -0.218 0.000 0.880 1211 Q CB -0.867 27.784 28.738 -0.145 0.000 0.966 1211 Q HN 0.289 nan 8.270 nan 0.000 0.418 1212 V N 0.811 120.540 119.914 -0.310 0.000 2.262 1212 V HA -0.404 3.716 4.120 -0.000 0.000 0.254 1212 V C 2.210 178.084 176.094 -0.366 0.000 1.050 1212 V CA 2.346 64.470 62.300 -0.293 0.000 1.080 1212 V CB -1.781 29.871 31.823 -0.284 0.000 0.711 1212 V HN 0.774 nan 8.190 nan 0.000 0.479 1213 G N -0.782 107.624 108.800 -0.658 0.000 2.574 1213 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 1213 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 1213 G C 1.367 176.022 174.900 -0.407 0.000 1.173 1213 G CA 1.117 45.803 45.100 -0.692 0.000 0.772 1213 G HN 0.552 nan 8.290 nan 0.000 0.585 1214 E N 0.044 119.957 120.200 -0.479 0.000 2.284 1214 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 1214 E C 2.501 179.076 176.600 -0.042 0.000 1.008 1214 E CA 0.954 57.293 56.400 -0.101 0.000 0.829 1214 E CB -0.106 29.559 29.700 -0.058 0.000 0.744 1214 E HN 0.390 nan 8.360 nan 0.000 0.491 1215 R N 0.426 120.870 120.500 -0.092 0.000 2.066 1215 R HA 0.100 4.440 4.340 -0.000 0.000 0.224 1215 R C 2.331 178.634 176.300 0.005 0.000 1.122 1215 R CA 0.725 56.798 56.100 -0.045 0.000 0.974 1215 R CB -0.511 29.746 30.300 -0.072 0.000 0.871 1215 R HN 0.126 nan 8.270 nan 0.000 0.435 1216 I N 0.839 121.421 120.570 0.019 0.000 2.127 1216 I HA -0.300 3.870 4.170 -0.000 0.000 0.241 1216 I C 2.162 178.440 176.117 0.268 0.000 1.075 1216 I CA 1.497 62.895 61.300 0.163 0.000 1.334 1216 I CB -0.466 37.617 38.000 0.138 0.000 1.040 1216 I HN 0.118 nan 8.210 nan 0.000 0.405 1217 K N 1.487 122.003 120.400 0.193 0.000 2.077 1217 K HA -0.276 4.044 4.320 -0.000 0.000 0.213 1217 K C 2.134 178.857 176.600 0.205 0.000 1.051 1217 K CA 2.241 58.666 56.287 0.229 0.000 0.929 1217 K CB -0.358 32.285 32.500 0.238 0.000 0.715 1217 K HN 0.639 nan 8.250 nan 0.000 0.451 1218 Q N -1.906 117.972 119.800 0.129 0.000 2.245 1218 Q HA -0.020 4.320 4.340 -0.000 0.000 0.201 1218 Q C 1.596 177.615 176.000 0.032 0.000 0.955 1218 Q CA 1.480 57.331 55.803 0.080 0.000 0.870 1218 Q CB -0.312 28.452 28.738 0.043 0.000 0.945 1218 Q HN 0.104 nan 8.270 nan 0.000 0.461 1219 T N 0.320 114.869 114.554 -0.008 0.000 2.849 1219 T HA -0.076 4.274 4.350 -0.000 0.000 0.270 1219 T C 0.685 175.136 174.700 -0.416 0.000 1.066 1219 T CA 1.454 63.408 62.100 -0.242 0.000 1.130 1219 T CB -0.135 68.513 68.868 -0.368 0.000 0.864 1219 T HN 0.313 nan 8.240 nan 0.000 0.481 1220 F N -0.078 119.894 119.950 0.037 0.000 2.539 1220 F HA 0.371 4.897 4.527 -0.000 0.000 0.277 1220 F C 1.456 177.288 175.800 0.054 0.000 0.925 1220 F CA -0.389 57.639 58.000 0.046 0.000 1.193 1220 F CB 0.032 39.064 39.000 0.054 0.000 1.128 1220 F HN -0.098 nan 8.300 nan 0.000 0.740 1221 K N -0.537 120.035 120.400 0.286 0.000 7.812 1221 K HA -0.234 4.085 4.320 -0.000 0.000 0.191 1221 K C -0.579 176.123 176.600 0.170 0.000 1.558 1221 K CA 1.043 57.441 56.287 0.185 0.000 0.906 1221 K CB -1.349 31.226 32.500 0.125 0.000 0.410 1221 K HN 0.035 nan 8.250 nan 0.000 0.449 1222 N N 2.483 121.263 118.700 0.134 0.000 3.322 1222 N HA 0.156 4.896 4.740 -0.000 0.000 0.290 1222 N C -0.845 174.731 175.510 0.110 0.000 1.297 1222 N CA 0.695 53.812 53.050 0.111 0.000 1.167 1222 N CB 0.243 38.779 38.487 0.081 0.000 1.434 1222 N HN 0.471 nan 8.380 nan 0.000 0.526 1223 D N -1.511 118.968 120.400 0.131 0.000 1.996 1223 D HA -0.030 4.610 4.640 -0.000 0.000 0.613 1223 D C -0.471 175.892 176.300 0.105 0.000 0.806 1223 D CA -0.228 53.843 54.000 0.119 0.000 1.127 1223 D CB 0.099 40.983 40.800 0.141 0.000 1.417 1223 D HN 0.111 nan 8.370 nan 0.000 0.450 1224 L N 1.515 122.806 121.223 0.113 0.000 2.376 1224 L HA 0.622 4.961 4.340 -0.000 0.000 0.275 1224 L C -1.606 175.341 176.870 0.130 0.000 0.987 1224 L CA -0.985 53.871 54.840 0.026 0.000 0.828 1224 L CB 1.829 43.746 42.059 -0.236 0.000 1.249 1224 L HN -0.071 nan 8.230 nan 0.000 0.409 1225 F N 6.397 126.332 119.950 -0.024 0.000 2.404 1225 F HA 0.757 5.283 4.527 -0.000 0.000 0.345 1225 F C -0.964 174.828 175.800 -0.014 0.000 1.110 1225 F CA -0.580 57.417 58.000 -0.005 0.000 1.130 1225 F CB 1.131 40.123 39.000 -0.013 0.000 1.129 1225 F HN 0.267 nan 8.300 nan 0.000 0.500 1226 V N 7.480 127.108 119.914 -0.476 0.000 2.808 1226 V HA 0.534 4.654 4.120 -0.000 0.000 0.308 1226 V C -0.187 175.576 176.094 -0.553 0.000 1.099 1226 V CA -0.754 61.264 62.300 -0.470 0.000 0.920 1226 V CB 1.803 33.625 31.823 -0.002 0.000 1.014 1226 V HN 0.775 nan 8.190 nan 0.000 0.425 1227 I N 2.107 122.345 120.570 -0.554 0.000 3.457 1227 I HA 0.813 4.982 4.170 -0.000 0.000 0.307 1227 I C -1.434 174.614 176.117 -0.115 0.000 1.138 1227 I CA -0.803 60.068 61.300 -0.714 0.000 0.974 1227 I CB 2.544 40.032 38.000 -0.854 0.000 1.324 1227 I HN 0.867 nan 8.210 nan 0.000 0.485 1228 W N -0.071 121.130 121.300 -0.164 0.000 3.524 1228 W HA 0.554 5.213 4.660 -0.000 0.000 0.287 1228 W C -0.484 176.003 176.519 -0.053 0.000 1.247 1228 W CA -0.754 56.532 57.345 -0.100 0.000 1.197 1228 W CB -0.350 29.068 29.460 -0.070 0.000 1.323 1228 W HN 0.645 nan 8.180 nan 0.000 0.567 1229 S N 0.818 116.634 115.700 0.193 0.000 2.463 1229 S HA 0.572 5.042 4.470 -0.000 0.000 0.241 1229 S C -0.276 174.446 174.600 0.203 0.000 1.299 1229 S CA 0.165 58.434 58.200 0.115 0.000 0.979 1229 S CB 0.429 63.668 63.200 0.064 0.000 0.950 1229 S HN 0.658 nan 8.310 nan 0.000 0.516 1230 E N -0.712 119.564 120.200 0.127 0.000 2.383 1230 E HA 0.262 4.612 4.350 -0.000 0.000 0.275 1230 E C -0.541 176.103 176.600 0.073 0.000 0.918 1230 E CA -0.653 55.825 56.400 0.129 0.000 0.764 1230 E CB 1.593 31.357 29.700 0.106 0.000 1.252 1230 E HN 0.579 nan 8.360 nan 0.000 0.449 1231 D N 1.026 121.463 120.400 0.062 0.000 2.393 1231 D HA -0.182 4.457 4.640 -0.000 0.000 0.220 1231 D C 0.984 177.299 176.300 0.025 0.000 0.974 1231 D CA 0.809 54.828 54.000 0.031 0.000 0.931 1231 D CB 0.265 41.079 40.800 0.022 0.000 0.889 1231 D HN 0.334 nan 8.370 nan 0.000 0.512 1232 N N 1.288 120.008 118.700 0.032 0.000 2.178 1232 N HA -0.095 4.645 4.740 -0.000 0.000 0.189 1232 N C 0.314 175.834 175.510 0.018 0.000 1.048 1232 N CA 0.598 53.662 53.050 0.023 0.000 0.855 1232 N CB 0.208 38.710 38.487 0.025 0.000 1.028 1232 N HN 0.020 nan 8.380 nan 0.000 0.441 1233 D N 0.753 121.166 120.400 0.020 0.000 2.341 1233 D HA -0.134 4.506 4.640 -0.000 0.000 0.233 1233 D C 1.243 177.550 176.300 0.011 0.000 1.270 1233 D CA 0.455 54.463 54.000 0.013 0.000 0.883 1233 D CB 0.439 41.247 40.800 0.015 0.000 1.207 1233 D HN 0.563 nan 8.370 nan 0.000 0.471 1234 E N -0.108 120.096 120.200 0.006 0.000 2.190 1234 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 1234 E C 0.006 176.609 176.600 0.005 0.000 0.978 1234 E CA 0.515 56.918 56.400 0.005 0.000 0.839 1234 E CB 0.214 29.915 29.700 0.002 0.000 0.787 1234 E HN 0.193 nan 8.360 nan 0.000 0.473 1235 K N 1.819 122.222 120.400 0.004 0.000 2.263 1235 K HA 0.341 4.661 4.320 -0.000 0.000 0.272 1235 K C -0.691 175.914 176.600 0.008 0.000 1.033 1235 K CA -0.384 55.905 56.287 0.003 0.000 0.884 1235 K CB 1.517 34.015 32.500 -0.002 0.000 1.107 1235 K HN 0.116 nan 8.250 nan 0.000 0.460 1236 L N 5.459 126.688 121.223 0.009 0.000 2.305 1236 L HA 0.528 4.868 4.340 -0.000 0.000 0.281 1236 L C 0.081 176.959 176.870 0.013 0.000 1.085 1236 L CA -0.349 54.500 54.840 0.015 0.000 0.813 1236 L CB 0.068 42.130 42.059 0.005 0.000 1.157 1236 L HN 0.480 nan 8.230 nan 0.000 0.436 1237 I N 3.439 124.025 120.570 0.027 0.000 3.093 1237 I HA 0.468 4.638 4.170 -0.000 0.000 0.308 1237 I C -0.936 175.209 176.117 0.047 0.000 1.303 1237 I CA -0.594 60.715 61.300 0.016 0.000 0.975 1237 I CB 3.149 41.141 38.000 -0.014 0.000 1.286 1237 I HN 0.453 nan 8.210 nan 0.000 0.459 1238 I N 3.076 123.658 120.570 0.019 0.000 2.531 1238 I HA 0.382 4.552 4.170 -0.000 0.000 0.283 1238 I C -0.451 175.643 176.117 -0.039 0.000 1.083 1238 I CA -0.518 60.804 61.300 0.036 0.000 1.071 1238 I CB 1.459 39.476 38.000 0.028 0.000 1.210 1238 I HN 0.456 nan 8.210 nan 0.000 0.450 1239 R N 4.376 124.817 120.500 -0.097 0.000 2.543 1239 R HA 0.872 5.212 4.340 -0.000 0.000 0.268 1239 R C -0.708 175.448 176.300 -0.239 0.000 1.067 1239 R CA -0.558 55.447 56.100 -0.159 0.000 1.142 1239 R CB 1.606 31.791 30.300 -0.192 0.000 1.110 1239 R HN 0.795 nan 8.270 nan 0.000 0.549 1240 C N -1.337 117.841 119.300 -0.203 0.000 3.038 1240 C HA 0.446 4.906 4.460 -0.000 0.000 0.371 1240 C C -0.868 174.110 174.990 -0.021 0.000 1.115 1240 C CA -1.331 57.555 59.018 -0.221 0.000 1.091 1240 C CB 0.967 28.587 27.740 -0.201 0.000 1.426 1240 C HN 0.987 nan 8.230 nan 0.000 0.542 1241 R N 0.930 121.491 120.500 0.102 0.000 2.947 1241 R HA 0.903 5.243 4.340 -0.000 0.000 0.253 1241 R C -0.105 176.275 176.300 0.132 0.000 1.208 1241 R CA -0.665 55.530 56.100 0.159 0.000 1.012 1241 R CB 1.100 31.538 30.300 0.229 0.000 1.267 1241 R HN 0.591 nan 8.270 nan 0.000 0.473 1242 V N -0.157 119.832 119.914 0.124 0.000 4.523 1242 V HA 0.475 4.595 4.120 -0.000 0.000 0.270 1242 V C -0.031 176.118 176.094 0.092 0.000 1.181 1242 V CA -0.436 61.920 62.300 0.094 0.000 0.737 1242 V CB 0.787 32.670 31.823 0.101 0.000 1.207 1242 V HN 0.415 nan 8.190 nan 0.000 0.389 1243 V N -1.450 118.508 119.914 0.074 0.000 3.206 1243 V HA 0.500 4.620 4.120 -0.000 0.000 0.305 1243 V C -0.060 176.060 176.094 0.043 0.000 1.257 1243 V CA -0.770 61.561 62.300 0.053 0.000 1.057 1243 V CB 2.382 34.241 31.823 0.060 0.000 1.075 1243 V HN 0.760 nan 8.190 nan 0.000 0.443 1244 R N 1.820 122.335 120.500 0.025 0.000 3.074 1244 R HA 0.476 4.816 4.340 -0.000 0.000 0.193 1244 R C -2.062 174.254 176.300 0.027 0.000 0.992 1244 R CA -0.616 55.496 56.100 0.021 0.000 1.177 1244 R CB -0.270 30.033 30.300 0.005 0.000 0.860 1244 R HN 0.688 nan 8.270 nan 0.000 0.490 1245 P HA 0.470 nan 4.420 nan 0.000 0.291 1245 P C -1.586 175.722 177.300 0.014 0.000 1.304 1245 P CA -0.608 62.500 63.100 0.013 0.000 0.929 1245 P CB 2.392 34.099 31.700 0.010 0.000 1.317 1255 E N 1.529 121.794 120.200 0.109 0.000 7.067 1255 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 1255 E C 0.089 176.794 176.600 0.175 0.000 0.968 1255 E CA 0.656 57.139 56.400 0.139 0.000 1.601 1255 E CB -0.806 28.946 29.700 0.086 0.000 0.914 1255 E HN 0.889 nan 8.360 nan 0.000 0.295 1256 E N 0.889 121.247 120.200 0.262 0.000 2.079 1256 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 1256 E C 1.401 178.102 176.600 0.168 0.000 0.961 1256 E CA 0.273 56.850 56.400 0.296 0.000 0.823 1256 E CB 0.041 30.046 29.700 0.508 0.000 0.789 1256 E HN 0.474 nan 8.360 nan 0.000 0.459 1257 D N 0.979 121.398 120.400 0.032 0.000 2.191 1257 D HA -0.262 4.378 4.640 -0.000 0.000 0.195 1257 D C 1.761 177.949 176.300 -0.187 0.000 1.003 1257 D CA 1.235 54.986 54.000 -0.415 0.000 0.867 1257 D CB -0.117 40.395 40.800 -0.481 0.000 0.926 1257 D HN 0.229 nan 8.370 nan 0.000 0.450 1258 H N -0.517 118.504 119.070 -0.081 0.000 2.319 1258 H HA -0.130 4.426 4.556 -0.000 0.000 0.299 1258 H C 2.092 177.397 175.328 -0.038 0.000 1.092 1258 H CA 1.701 57.720 56.048 -0.048 0.000 1.302 1258 H CB 0.109 29.868 29.762 -0.006 0.000 1.373 1258 H HN 0.238 nan 8.280 nan 0.000 0.497 1259 M N -0.354 119.328 119.600 0.138 0.000 2.287 1259 M HA -0.054 4.425 4.480 -0.000 0.000 0.266 1259 M C 1.894 178.214 176.300 0.034 0.000 1.079 1259 M CA 0.457 55.813 55.300 0.093 0.000 1.146 1259 M CB -0.349 32.309 32.600 0.096 0.000 1.374 1259 M HN 0.050 nan 8.290 nan 0.000 0.435 1260 L N 0.323 121.540 121.223 -0.009 0.000 2.711 1260 L HA -0.002 4.338 4.340 -0.000 0.000 0.242 1260 L C 1.478 178.294 176.870 -0.090 0.000 1.153 1260 L CA 1.474 56.286 54.840 -0.046 0.000 0.898 1260 L CB -1.155 40.870 42.059 -0.055 0.000 1.044 1260 L HN 0.335 nan 8.230 nan 0.000 0.437 1261 K N -1.783 118.569 120.400 -0.081 0.000 2.474 1261 K HA 0.096 4.416 4.320 -0.000 0.000 0.204 1261 K C 1.736 178.314 176.600 -0.037 0.000 1.220 1261 K CA 0.006 56.237 56.287 -0.093 0.000 0.966 1261 K CB 0.505 32.910 32.500 -0.158 0.000 1.049 1261 K HN 0.171 nan 8.250 nan 0.000 0.554 1262 K N 0.596 120.997 120.400 0.003 0.000 2.044 1262 K HA 0.053 4.373 4.320 -0.000 0.000 0.204 1262 K C 1.496 178.130 176.600 0.057 0.000 1.049 1262 K CA 1.109 57.420 56.287 0.039 0.000 0.945 1262 K CB -0.005 32.538 32.500 0.071 0.000 0.724 1262 K HN 0.049 nan 8.250 nan 0.000 0.440 1263 I N 2.111 122.720 120.570 0.066 0.000 3.294 1263 I HA -0.198 3.972 4.170 -0.000 0.000 0.287 1263 I C 2.123 178.282 176.117 0.069 0.000 1.328 1263 I CA 0.514 61.876 61.300 0.103 0.000 1.375 1263 I CB -0.428 37.593 38.000 0.034 0.000 1.045 1263 I HN 0.232 nan 8.210 nan 0.000 0.522 1264 E N 1.838 122.059 120.200 0.035 0.000 2.004 1264 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 1264 E C 1.807 178.433 176.600 0.043 0.000 0.985 1264 E CA 1.629 58.041 56.400 0.020 0.000 0.832 1264 E CB -0.290 29.406 29.700 -0.008 0.000 0.787 1264 E HN 0.266 nan 8.360 nan 0.000 0.466 1265 N N -0.174 118.548 118.700 0.036 0.000 2.188 1265 N HA -0.098 4.642 4.740 -0.000 0.000 0.184 1265 N C 1.711 177.255 175.510 0.057 0.000 1.018 1265 N CA 1.712 54.785 53.050 0.038 0.000 0.858 1265 N CB -0.601 37.901 38.487 0.026 0.000 0.989 1265 N HN 0.305 nan 8.380 nan 0.000 0.426 1266 T N 1.412 116.012 114.554 0.077 0.000 2.836 1266 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 1266 T C 1.896 176.658 174.700 0.102 0.000 1.080 1266 T CA 1.123 63.276 62.100 0.089 0.000 1.128 1266 T CB -0.031 68.917 68.868 0.133 0.000 0.839 1266 T HN 0.307 nan 8.240 nan 0.000 0.507 1267 M N -0.492 119.188 119.600 0.133 0.000 2.556 1267 M HA 0.236 4.716 4.480 -0.000 0.000 0.264 1267 M C 2.126 178.466 176.300 0.067 0.000 1.163 1267 M CA 0.740 56.121 55.300 0.136 0.000 1.186 1267 M CB -0.221 32.484 32.600 0.176 0.000 1.321 1267 M HN 0.123 nan 8.290 nan 0.000 0.485 1268 L N 0.195 121.449 121.223 0.052 0.000 2.127 1268 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 1268 L C 1.821 178.708 176.870 0.027 0.000 1.089 1268 L CA 1.499 56.357 54.840 0.030 0.000 0.757 1268 L CB -0.310 41.764 42.059 0.025 0.000 0.899 1268 L HN 0.371 nan 8.230 nan 0.000 0.434 1269 E N -1.117 119.102 120.200 0.032 0.000 2.290 1269 E HA 0.033 4.382 4.350 -0.000 0.000 0.195 1269 E C 1.127 177.747 176.600 0.034 0.000 0.938 1269 E CA -0.093 56.327 56.400 0.033 0.000 1.018 1269 E CB 0.205 29.924 29.700 0.030 0.000 1.042 1269 E HN 0.249 nan 8.360 nan 0.000 0.483 1270 N N 1.036 119.750 118.700 0.023 0.000 2.586 1270 N HA 0.015 4.755 4.740 -0.000 0.000 0.206 1270 N C -0.624 174.880 175.510 -0.010 0.000 1.377 1270 N CA 0.736 53.791 53.050 0.009 0.000 0.871 1270 N CB 0.225 38.707 38.487 -0.009 0.000 1.107 1270 N HN 0.177 nan 8.380 nan 0.000 0.462 1271 I N 0.365 120.934 120.570 -0.002 0.000 2.468 1271 I HA 0.115 4.285 4.170 -0.000 0.000 0.285 1271 I C -0.419 175.672 176.117 -0.043 0.000 1.039 1271 I CA -0.212 61.073 61.300 -0.026 0.000 1.074 1271 I CB 1.722 39.713 38.000 -0.015 0.000 1.228 1271 I HN -0.192 nan 8.210 nan 0.000 0.436 1272 T N 6.319 120.837 114.554 -0.060 0.000 2.945 1272 T HA 0.484 4.833 4.350 -0.000 0.000 0.286 1272 T C 0.423 175.050 174.700 -0.121 0.000 1.025 1272 T CA -0.405 61.613 62.100 -0.137 0.000 1.039 1272 T CB 2.244 71.048 68.868 -0.107 0.000 1.068 1272 T HN 0.248 nan 8.240 nan 0.000 0.497 1273 L N 0.634 121.762 121.223 -0.158 0.000 2.783 1273 L HA 0.485 4.825 4.340 -0.000 0.000 0.174 1273 L C 1.024 177.836 176.870 -0.097 0.000 1.235 1273 L CA 0.777 55.548 54.840 -0.115 0.000 0.862 1273 L CB -0.397 41.593 42.059 -0.116 0.000 1.249 1273 L HN 0.384 nan 8.230 nan 0.000 0.518 1274 R N -0.892 119.543 120.500 -0.108 0.000 2.828 1274 R HA 0.626 4.966 4.340 -0.000 0.000 0.264 1274 R C -0.375 175.889 176.300 -0.061 0.000 1.022 1274 R CA -0.209 55.851 56.100 -0.068 0.000 1.021 1274 R CB 1.429 31.698 30.300 -0.052 0.000 1.163 1274 R HN 0.341 nan 8.270 nan 0.000 0.494 1275 G N -0.164 108.633 108.800 -0.006 0.000 2.685 1275 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.387 1275 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.387 1275 G C -1.059 173.896 174.900 0.092 0.000 1.324 1275 G CA -0.646 44.482 45.100 0.047 0.000 0.878 1275 G HN 0.453 nan 8.290 nan 0.000 0.527 1276 V N -0.646 119.343 119.914 0.125 0.000 3.155 1276 V HA 0.739 4.859 4.120 -0.000 0.000 0.313 1276 V C 0.663 176.815 176.094 0.097 0.000 1.162 1276 V CA -0.288 62.076 62.300 0.106 0.000 1.048 1276 V CB 1.704 33.556 31.823 0.049 0.000 1.092 1276 V HN 1.192 nan 8.190 nan 0.000 0.447 1277 E N 1.934 122.146 120.200 0.021 0.000 2.604 1277 E HA -0.080 4.270 4.350 -0.000 0.000 0.267 1277 E C 1.048 177.558 176.600 -0.150 0.000 0.970 1277 E CA 1.290 57.631 56.400 -0.098 0.000 0.956 1277 E CB -0.033 29.632 29.700 -0.057 0.000 0.939 1277 E HN 0.703 nan 8.360 nan 0.000 0.465 1278 N N 1.158 119.700 118.700 -0.263 0.000 2.115 1278 N HA -0.336 4.404 4.740 -0.000 0.000 0.223 1278 N C 0.050 175.485 175.510 -0.124 0.000 0.707 1278 N CA 1.809 54.746 53.050 -0.189 0.000 3.505 1278 N CB -1.546 36.875 38.487 -0.109 0.000 0.773 1278 N HN 0.460 nan 8.380 nan 0.000 0.370 1279 I N 3.400 123.930 120.570 -0.067 0.000 3.045 1279 I HA -0.131 4.039 4.170 -0.000 0.000 0.306 1279 I C 0.607 176.735 176.117 0.019 0.000 1.232 1279 I CA 1.429 62.721 61.300 -0.013 0.000 1.415 1279 I CB -0.356 37.653 38.000 0.014 0.000 1.364 1279 I HN 0.152 nan 8.210 nan 0.000 0.538 1280 E N 5.158 125.364 120.200 0.011 0.000 2.390 1280 E HA 0.563 4.912 4.350 -0.000 0.000 0.277 1280 E C -0.171 176.433 176.600 0.007 0.000 0.939 1280 E CA -1.055 55.363 56.400 0.030 0.000 0.769 1280 E CB 1.558 31.269 29.700 0.018 0.000 1.251 1280 E HN 0.283 nan 8.360 nan 0.000 0.450 1281 R N -0.002 120.494 120.500 -0.007 0.000 3.651 1281 R HA -0.149 4.191 4.340 -0.000 0.000 0.292 1281 R C -0.596 175.696 176.300 -0.014 0.000 1.161 1281 R CA 0.150 56.216 56.100 -0.057 0.000 0.787 1281 R CB -1.739 28.525 30.300 -0.059 0.000 1.249 1281 R HN 0.309 nan 8.270 nan 0.000 0.476 1282 V N 1.184 121.124 119.914 0.043 0.000 2.694 1282 V HA 0.031 4.151 4.120 -0.000 0.000 0.306 1282 V C 1.033 177.201 176.094 0.123 0.000 1.054 1282 V CA 0.602 62.942 62.300 0.068 0.000 1.161 1282 V CB 1.228 33.095 31.823 0.074 0.000 0.916 1282 V HN 0.036 nan 8.190 nan 0.000 0.490 1283 V N 5.608 125.574 119.914 0.086 0.000 2.823 1283 V HA 0.488 4.608 4.120 -0.000 0.000 0.312 1283 V C 0.033 176.173 176.094 0.076 0.000 1.072 1283 V CA -0.834 61.539 62.300 0.121 0.000 0.937 1283 V CB 2.010 33.887 31.823 0.090 0.000 1.013 1283 V HN 0.783 nan 8.190 nan 0.000 0.430 1284 M N 4.281 123.944 119.600 0.106 0.000 2.274 1284 M HA 0.600 5.080 4.480 -0.000 0.000 0.344 1284 M C -0.739 175.647 176.300 0.144 0.000 1.161 1284 M CA 0.051 55.430 55.300 0.133 0.000 1.126 1284 M CB 1.261 33.959 32.600 0.162 0.000 1.522 1284 M HN 0.424 nan 8.290 nan 0.000 0.461 1285 M N 2.287 121.957 119.600 0.115 0.000 2.294 1285 M HA 0.200 4.680 4.480 -0.000 0.000 0.280 1285 M C -1.004 175.143 176.300 -0.255 0.000 1.085 1285 M CA -0.433 54.827 55.300 -0.067 0.000 0.969 1285 M CB 2.147 34.597 32.600 -0.250 0.000 1.770 1285 M HN 0.592 nan 8.290 nan 0.000 0.485 1286 K N 3.864 123.980 120.400 -0.474 0.000 2.333 1286 K HA 0.301 4.621 4.320 -0.000 0.000 0.241 1286 K C -0.820 175.614 176.600 -0.277 0.000 1.193 1286 K CA -0.051 55.718 56.287 -0.862 0.000 1.142 1286 K CB 0.110 31.761 32.500 -1.414 0.000 1.731 1286 K HN 0.590 nan 8.250 nan 0.000 0.344 1287 Y N 0.909 121.093 120.300 -0.193 0.000 2.546 1287 Y HA -0.122 4.428 4.550 -0.000 0.000 0.351 1287 Y C 1.167 177.011 175.900 -0.093 0.000 1.266 1287 Y CA -0.501 57.557 58.100 -0.070 0.000 1.487 1287 Y CB 0.549 39.040 38.460 0.052 0.000 1.365 1287 Y HN 0.511 nan 8.280 nan 0.000 0.642 1288 D N 1.153 121.616 120.400 0.106 0.000 2.332 1288 D HA 0.393 5.033 4.640 -0.000 0.000 0.252 1288 D C -0.901 175.428 176.300 0.049 0.000 1.050 1288 D CA -0.370 53.650 54.000 0.033 0.000 0.970 1288 D CB 1.397 42.201 40.800 0.007 0.000 1.141 1288 D HN 0.499 nan 8.370 nan 0.000 0.485 1289 R N 1.111 121.633 120.500 0.036 0.000 2.633 1289 R HA 0.202 4.541 4.340 -0.000 0.000 0.255 1289 R C -1.212 175.120 176.300 0.052 0.000 1.106 1289 R CA -0.683 55.443 56.100 0.042 0.000 0.959 1289 R CB 1.043 31.370 30.300 0.045 0.000 1.259 1289 R HN 0.266 nan 8.270 nan 0.000 0.453 1290 K N 2.605 123.053 120.400 0.080 0.000 2.183 1290 K HA 0.601 4.921 4.320 -0.000 0.000 0.274 1290 K C -1.026 175.675 176.600 0.168 0.000 1.009 1290 K CA -0.763 55.612 56.287 0.147 0.000 0.888 1290 K CB 2.155 34.768 32.500 0.188 0.000 1.078 1290 K HN 0.217 nan 8.250 nan 0.000 0.459 1291 V N 3.642 123.615 119.914 0.099 0.000 3.147 1291 V HA 0.204 4.324 4.120 -0.000 0.000 0.299 1291 V C -2.608 173.302 176.094 -0.307 0.000 1.302 1291 V CA -2.147 60.094 62.300 -0.098 0.000 1.015 1291 V CB 2.547 34.329 31.823 -0.068 0.000 1.086 1291 V HN 0.601 nan 8.190 nan 0.000 0.437 1292 P HA 0.045 nan 4.420 nan 0.000 0.256 1292 P C -0.269 176.890 177.300 -0.236 0.000 1.189 1292 P CA 0.641 63.427 63.100 -0.524 0.000 0.808 1292 P CB 0.233 31.653 31.700 -0.467 0.000 0.793 1293 S N 6.283 121.891 115.700 -0.153 0.000 2.537 1293 S HA 0.088 4.558 4.470 -0.000 0.000 0.286 1293 S C -0.690 173.865 174.600 -0.075 0.000 1.299 1293 S CA -1.302 56.853 58.200 -0.075 0.000 1.067 1293 S CB -0.013 63.169 63.200 -0.029 0.000 0.864 1293 S HN 0.319 nan 8.310 nan 0.000 0.494 1294 P HA -0.230 nan 4.420 nan 0.000 0.218 1294 P C 1.544 178.819 177.300 -0.042 0.000 1.152 1294 P CA 2.136 65.206 63.100 -0.051 0.000 0.857 1294 P CB -0.530 31.150 31.700 -0.033 0.000 0.787 1295 T N -3.525 111.012 114.554 -0.028 0.000 2.881 1295 T HA 0.093 4.443 4.350 -0.000 0.000 0.270 1295 T C 1.480 176.171 174.700 -0.015 0.000 1.068 1295 T CA 2.274 64.365 62.100 -0.014 0.000 1.131 1295 T CB -0.517 68.350 68.868 -0.001 0.000 0.871 1295 T HN 0.366 nan 8.240 nan 0.000 0.479 1296 G N 0.675 109.457 108.800 -0.030 0.000 3.432 1296 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.188 1296 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.188 1296 G C -0.557 174.339 174.900 -0.007 0.000 2.301 1296 G CA -0.103 44.982 45.100 -0.025 0.000 1.337 1296 G HN 0.682 nan 8.290 nan 0.000 0.406 1297 E N 1.036 121.259 120.200 0.038 0.000 2.438 1297 E HA 0.419 4.769 4.350 -0.000 0.000 0.261 1297 E C -0.670 175.987 176.600 0.095 0.000 1.103 1297 E CA -0.146 56.315 56.400 0.101 0.000 0.959 1297 E CB 0.273 30.027 29.700 0.089 0.000 0.958 1297 E HN 0.425 nan 8.360 nan 0.000 0.447 1298 Y N 0.167 120.474 120.300 0.012 0.000 2.309 1298 Y HA 0.387 4.937 4.550 -0.000 0.000 0.327 1298 Y C 0.145 176.052 175.900 0.012 0.000 1.172 1298 Y CA -0.244 57.864 58.100 0.012 0.000 1.280 1298 Y CB 0.874 39.347 38.460 0.021 0.000 1.234 1298 Y HN 0.190 nan 8.280 nan 0.000 0.512 1299 V N 2.898 122.881 119.914 0.114 0.000 3.114 1299 V HA 0.293 4.412 4.120 -0.000 0.000 0.308 1299 V C -0.882 175.251 176.094 0.065 0.000 1.168 1299 V CA -1.997 60.350 62.300 0.078 0.000 1.015 1299 V CB 2.328 34.174 31.823 0.039 0.000 1.050 1299 V HN 0.526 nan 8.190 nan 0.000 0.433 1300 K N 2.235 122.666 120.400 0.053 0.000 2.395 1300 K HA 0.164 4.484 4.320 -0.000 0.000 0.283 1300 K C -0.086 176.531 176.600 0.028 0.000 1.068 1300 K CA 0.381 56.693 56.287 0.040 0.000 1.039 1300 K CB 0.417 32.935 32.500 0.030 0.000 0.924 1300 K HN 0.636 nan 8.250 nan 0.000 0.468 1301 E N 5.080 125.296 120.200 0.026 0.000 3.303 1301 E HA 0.134 4.484 4.350 -0.000 0.000 0.215 1301 E C -2.309 174.302 176.600 0.017 0.000 1.181 1301 E CA -2.237 54.175 56.400 0.020 0.000 0.998 1301 E CB 0.566 30.274 29.700 0.014 0.000 1.312 1301 E HN 0.340 nan 8.360 nan 0.000 0.412 1302 P HA -0.129 nan 4.420 nan 0.000 0.264 1302 P C -0.814 176.465 177.300 -0.036 0.000 1.179 1302 P CA 0.677 63.756 63.100 -0.034 0.000 0.763 1302 P CB 0.572 32.221 31.700 -0.084 0.000 0.806 1303 E N 1.742 121.920 120.200 -0.036 0.000 2.317 1303 E HA 0.427 4.776 4.350 -0.000 0.000 0.270 1303 E C -1.331 175.235 176.600 -0.057 0.000 0.885 1303 E CA -1.032 55.383 56.400 0.025 0.000 0.760 1303 E CB 0.878 30.641 29.700 0.105 0.000 1.227 1303 E HN 0.259 nan 8.360 nan 0.000 0.434 1304 W N 1.783 123.120 121.300 0.063 0.000 2.272 1304 W HA 0.461 5.121 4.660 -0.000 0.000 0.318 1304 W C -0.618 175.893 176.519 -0.013 0.000 1.255 1304 W CA -0.094 57.260 57.345 0.015 0.000 1.200 1304 W CB 1.384 30.850 29.460 0.011 0.000 1.170 1304 W HN 0.270 nan 8.180 nan 0.000 0.549 1305 V N 4.460 124.399 119.914 0.041 0.000 2.971 1305 V HA 0.440 4.560 4.120 -0.000 0.000 0.309 1305 V C -0.409 175.564 176.094 -0.202 0.000 1.130 1305 V CA -1.315 60.903 62.300 -0.138 0.000 0.964 1305 V CB 1.871 33.459 31.823 -0.392 0.000 1.029 1305 V HN 0.288 nan 8.190 nan 0.000 0.427 1306 L N 2.712 123.831 121.223 -0.174 0.000 2.317 1306 L HA 0.642 4.982 4.340 -0.000 0.000 0.281 1306 L C -0.214 176.560 176.870 -0.160 0.000 1.024 1306 L CA -0.428 54.340 54.840 -0.120 0.000 0.810 1306 L CB 1.735 43.766 42.059 -0.048 0.000 1.240 1306 L HN 0.673 nan 8.230 nan 0.000 0.427 1307 E N 1.384 121.525 120.200 -0.100 0.000 2.187 1307 E HA 0.352 4.702 4.350 -0.000 0.000 0.268 1307 E C -0.694 175.890 176.600 -0.026 0.000 0.896 1307 E CA -0.487 55.876 56.400 -0.061 0.000 0.766 1307 E CB 2.811 32.500 29.700 -0.018 0.000 1.142 1307 E HN 0.460 nan 8.360 nan 0.000 0.408 1308 T N 0.333 114.870 114.554 -0.028 0.000 2.994 1308 T HA 0.119 4.469 4.350 -0.000 0.000 0.322 1308 T C -0.223 174.469 174.700 -0.013 0.000 1.199 1308 T CA -0.076 62.014 62.100 -0.016 0.000 0.945 1308 T CB 0.388 69.243 68.868 -0.021 0.000 1.754 1308 T HN 0.486 nan 8.240 nan 0.000 0.571 1309 D N -0.516 119.874 120.400 -0.015 0.000 3.486 1309 D HA 0.287 4.927 4.640 -0.000 0.000 0.294 1309 D C -0.452 175.834 176.300 -0.024 0.000 1.593 1309 D CA 0.003 53.993 54.000 -0.018 0.000 0.776 1309 D CB -0.067 40.724 40.800 -0.015 0.000 1.353 1309 D HN 0.783 nan 8.370 nan 0.000 0.608 1310 G N -0.414 108.368 108.800 -0.030 0.000 2.411 1310 G HA2 0.427 4.386 3.960 -0.000 0.000 0.295 1310 G HA3 0.427 4.386 3.960 -0.000 0.000 0.295 1310 G C -1.747 173.129 174.900 -0.040 0.000 1.542 1310 G CA -0.409 44.667 45.100 -0.039 0.000 0.814 1310 G HN -0.014 nan 8.290 nan 0.000 0.557 1311 V N 1.775 121.662 119.914 -0.045 0.000 2.482 1311 V HA 0.616 4.736 4.120 -0.000 0.000 0.295 1311 V C -0.294 175.777 176.094 -0.038 0.000 1.026 1311 V CA -0.853 61.422 62.300 -0.042 0.000 0.856 1311 V CB 1.738 33.532 31.823 -0.048 0.000 1.001 1311 V HN 0.815 nan 8.190 nan 0.000 0.424 1312 N N 4.105 122.788 118.700 -0.027 0.000 2.673 1312 N HA 0.080 4.820 4.740 -0.000 0.000 0.265 1312 N C 0.698 176.205 175.510 -0.005 0.000 1.709 1312 N CA -0.323 52.715 53.050 -0.020 0.000 0.792 1312 N CB 1.274 39.746 38.487 -0.025 0.000 1.286 1312 N HN 0.613 nan 8.380 nan 0.000 0.506 1313 L N 2.249 123.472 121.223 0.000 0.000 2.042 1313 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 1313 L C 1.948 178.832 176.870 0.023 0.000 1.076 1313 L CA 2.335 57.186 54.840 0.018 0.000 0.749 1313 L CB -0.903 41.173 42.059 0.028 0.000 0.893 1313 L HN 0.433 nan 8.230 nan 0.000 0.432 1314 S N -1.437 114.273 115.700 0.016 0.000 2.535 1314 S HA -0.232 4.238 4.470 -0.000 0.000 0.259 1314 S C 1.281 175.892 174.600 0.018 0.000 0.977 1314 S CA 1.708 59.919 58.200 0.017 0.000 0.962 1314 S CB -0.557 62.649 63.200 0.009 0.000 0.742 1314 S HN 0.813 nan 8.310 nan 0.000 0.530 1315 E N -0.797 119.414 120.200 0.019 0.000 2.820 1315 E HA 0.122 4.472 4.350 -0.000 0.000 0.210 1315 E C 0.745 177.360 176.600 0.025 0.000 1.005 1315 E CA 0.286 56.699 56.400 0.020 0.000 1.678 1315 E CB 0.252 29.961 29.700 0.015 0.000 2.013 1315 E HN 0.266 nan 8.360 nan 0.000 1.011 1316 V N 2.499 122.427 119.914 0.023 0.000 3.519 1316 V HA -0.104 4.016 4.120 -0.000 0.000 0.272 1316 V C 1.624 177.740 176.094 0.036 0.000 1.238 1316 V CA 1.252 63.568 62.300 0.027 0.000 1.194 1316 V CB -0.684 31.152 31.823 0.021 0.000 0.923 1316 V HN 0.307 nan 8.190 nan 0.000 0.517 1317 M N 0.742 120.365 119.600 0.039 0.000 2.730 1317 M HA -0.006 4.474 4.480 -0.000 0.000 0.258 1317 M C 2.034 178.362 176.300 0.047 0.000 1.279 1317 M CA 1.280 56.610 55.300 0.049 0.000 1.183 1317 M CB 0.436 33.067 32.600 0.052 0.000 1.291 1317 M HN 0.479 nan 8.290 nan 0.000 0.518 1318 T N -0.545 114.032 114.554 0.039 0.000 3.317 1318 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 1318 T C 0.213 174.935 174.700 0.035 0.000 1.106 1318 T CA -0.296 61.825 62.100 0.036 0.000 0.986 1318 T CB -1.050 67.836 68.868 0.029 0.000 1.010 1318 T HN 0.081 nan 8.240 nan 0.000 0.560 1319 V N 4.281 124.218 119.914 0.039 0.000 2.583 1319 V HA 0.330 4.450 4.120 -0.000 0.000 0.287 1319 V C -1.789 174.333 176.094 0.046 0.000 1.051 1319 V CA -2.037 60.286 62.300 0.038 0.000 1.010 1319 V CB 1.008 32.853 31.823 0.038 0.000 0.988 1319 V HN 0.395 nan 8.190 nan 0.000 0.478 1320 P HA 0.271 nan 4.420 nan 0.000 0.275 1320 P C 0.665 178.002 177.300 0.062 0.000 1.227 1320 P CA 0.678 63.806 63.100 0.046 0.000 0.781 1320 P CB 1.256 32.971 31.700 0.026 0.000 0.906 1321 G N 2.429 111.289 108.800 0.102 0.000 2.175 1321 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 1321 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 1321 G C 0.066 175.075 174.900 0.183 0.000 0.982 1321 G CA 0.229 45.427 45.100 0.164 0.000 0.641 1321 G HN 0.753 nan 8.290 nan 0.000 0.527 1322 I N -2.094 118.552 120.570 0.127 0.000 2.530 1322 I HA 0.682 4.852 4.170 -0.000 0.000 0.297 1322 I C -0.640 175.538 176.117 0.103 0.000 1.011 1322 I CA -1.256 60.110 61.300 0.110 0.000 1.107 1322 I CB 1.966 40.018 38.000 0.087 0.000 1.285 1322 I HN -0.069 nan 8.210 nan 0.000 0.436 1323 D N 8.314 128.781 120.400 0.111 0.000 2.344 1323 D HA 0.162 4.802 4.640 -0.000 0.000 0.253 1323 D C -1.666 174.706 176.300 0.120 0.000 1.255 1323 D CA -1.791 52.269 54.000 0.101 0.000 0.894 1323 D CB 1.407 42.276 40.800 0.115 0.000 1.067 1323 D HN 0.462 nan 8.370 nan 0.000 0.492 1324 P HA 0.001 nan 4.420 nan 0.000 0.249 1324 P C 0.920 178.275 177.300 0.093 0.000 1.229 1324 P CA 0.239 63.393 63.100 0.090 0.000 0.788 1324 P CB 0.520 32.262 31.700 0.070 0.000 1.072 1325 T N -0.825 113.783 114.554 0.090 0.000 3.022 1325 T HA 0.210 4.560 4.350 -0.000 0.000 0.250 1325 T C 1.509 176.268 174.700 0.099 0.000 1.060 1325 T CA 0.282 62.428 62.100 0.077 0.000 1.013 1325 T CB 0.004 68.898 68.868 0.044 0.000 0.982 1325 T HN 0.076 nan 8.240 nan 0.000 0.508 1326 R N 0.186 120.777 120.500 0.153 0.000 2.404 1326 R HA 0.433 4.773 4.340 -0.000 0.000 0.237 1326 R C 0.806 177.377 176.300 0.452 0.000 0.907 1326 R CA -0.272 55.959 56.100 0.217 0.000 1.063 1326 R CB 0.499 30.858 30.300 0.097 0.000 1.134 1326 R HN 0.369 nan 8.270 nan 0.000 0.529 1327 I N 1.193 121.966 120.570 0.338 0.000 2.932 1327 I HA -0.146 4.024 4.170 -0.000 0.000 0.295 1327 I C -0.962 175.365 176.117 0.350 0.000 1.227 1327 I CA 0.535 62.002 61.300 0.278 0.000 1.429 1327 I CB 0.364 38.462 38.000 0.164 0.000 1.339 1327 I HN 0.022 nan 8.210 nan 0.000 0.589 1328 Y N 5.631 126.007 120.300 0.126 0.000 2.399 1328 Y HA 0.326 4.876 4.550 -0.000 0.000 0.327 1328 Y C -0.959 174.997 175.900 0.093 0.000 1.111 1328 Y CA -0.992 57.188 58.100 0.134 0.000 1.047 1328 Y CB 1.441 40.018 38.460 0.196 0.000 1.259 1328 Y HN 0.572 nan 8.280 nan 0.000 0.434 1329 T N 4.830 119.242 114.554 -0.238 0.000 2.792 1329 T HA 0.264 4.613 4.350 -0.000 0.000 0.280 1329 T C 0.745 175.103 174.700 -0.571 0.000 0.990 1329 T CA -0.230 61.666 62.100 -0.340 0.000 0.960 1329 T CB 0.403 69.210 68.868 -0.101 0.000 0.939 1329 T HN 0.799 nan 8.240 nan 0.000 0.439 1330 N N 3.429 121.801 118.700 -0.546 0.000 2.205 1330 N HA -0.101 4.639 4.740 -0.000 0.000 0.186 1330 N C 1.103 176.651 175.510 0.063 0.000 1.015 1330 N CA 0.884 53.755 53.050 -0.298 0.000 0.862 1330 N CB -0.367 38.051 38.487 -0.116 0.000 0.986 1330 N HN 0.420 nan 8.380 nan 0.000 0.429 1331 S N 0.468 116.168 115.700 -0.001 0.000 3.570 1331 S HA -0.001 4.469 4.470 -0.000 0.000 0.259 1331 S C 0.830 175.428 174.600 -0.002 0.000 1.150 1331 S CA -0.646 57.544 58.200 -0.016 0.000 1.139 1331 S CB -1.520 61.622 63.200 -0.098 0.000 1.624 1331 S HN 0.381 nan 8.310 nan 0.000 0.525 1332 F N 3.827 123.812 119.950 0.057 0.000 2.147 1332 F HA -0.216 4.311 4.527 -0.000 0.000 0.301 1332 F C 1.718 177.565 175.800 0.078 0.000 1.084 1332 F CA 0.851 58.913 58.000 0.103 0.000 1.268 1332 F CB -0.922 38.148 39.000 0.117 0.000 1.009 1332 F HN 0.444 nan 8.300 nan 0.000 0.486 1333 I N 1.010 121.232 120.570 -0.580 0.000 2.113 1333 I HA -0.306 3.864 4.170 -0.000 0.000 0.242 1333 I C 2.080 178.126 176.117 -0.118 0.000 1.064 1333 I CA 1.923 63.014 61.300 -0.349 0.000 1.320 1333 I CB -1.652 36.092 38.000 -0.427 0.000 1.028 1333 I HN 0.255 nan 8.210 nan 0.000 0.406 1334 D N 1.430 121.769 120.400 -0.102 0.000 2.088 1334 D HA -0.135 4.505 4.640 -0.000 0.000 0.191 1334 D C 2.443 178.762 176.300 0.030 0.000 0.992 1334 D CA 1.384 55.366 54.000 -0.029 0.000 0.831 1334 D CB -0.189 40.595 40.800 -0.027 0.000 0.973 1334 D HN 0.357 nan 8.370 nan 0.000 0.447 1335 I N 1.272 121.889 120.570 0.078 0.000 2.290 1335 I HA -0.286 3.884 4.170 -0.000 0.000 0.253 1335 I C 2.492 178.683 176.117 0.123 0.000 1.112 1335 I CA 0.838 62.220 61.300 0.136 0.000 1.377 1335 I CB -0.208 37.931 38.000 0.233 0.000 1.060 1335 I HN 0.128 nan 8.210 nan 0.000 0.428 1336 M N 0.384 120.051 119.600 0.112 0.000 2.288 1336 M HA -0.150 4.330 4.480 -0.000 0.000 0.266 1336 M C 1.791 178.133 176.300 0.069 0.000 1.072 1336 M CA 1.806 57.167 55.300 0.103 0.000 1.132 1336 M CB -0.162 32.505 32.600 0.113 0.000 1.386 1336 M HN 0.215 nan 8.290 nan 0.000 0.432 1337 E N -0.605 119.625 120.200 0.049 0.000 2.170 1337 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 1337 E C 1.994 178.616 176.600 0.038 0.000 0.981 1337 E CA 0.760 57.181 56.400 0.035 0.000 0.830 1337 E CB 0.248 29.958 29.700 0.017 0.000 0.775 1337 E HN 0.346 nan 8.360 nan 0.000 0.470 1338 V N 1.180 121.121 119.914 0.045 0.000 2.283 1338 V HA -0.156 3.963 4.120 -0.000 0.000 0.239 1338 V C 2.138 178.264 176.094 0.054 0.000 1.035 1338 V CA 1.296 63.625 62.300 0.047 0.000 1.018 1338 V CB -0.328 31.527 31.823 0.054 0.000 0.658 1338 V HN 0.201 nan 8.190 nan 0.000 0.459 1339 L N 0.212 121.476 121.223 0.069 0.000 2.341 1339 L HA 0.412 4.752 4.340 -0.000 0.000 0.214 1339 L C 1.041 177.950 176.870 0.065 0.000 1.115 1339 L CA 0.845 55.727 54.840 0.070 0.000 0.820 1339 L CB -0.496 41.615 42.059 0.087 0.000 0.944 1339 L HN 0.582 nan 8.230 nan 0.000 0.452 1340 G N 0.331 109.171 108.800 0.067 0.000 3.445 1340 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 1340 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 1340 G C 0.367 175.310 174.900 0.072 0.000 1.113 1340 G CA -0.166 44.972 45.100 0.063 0.000 0.974 1340 G HN 0.126 nan 8.290 nan 0.000 0.492 1341 I N 0.436 121.051 120.570 0.075 0.000 3.363 1341 I HA -0.429 3.741 4.170 -0.000 0.000 0.192 1341 I C 2.561 178.728 176.117 0.084 0.000 0.778 1341 I CA 2.900 64.249 61.300 0.082 0.000 1.105 1341 I CB 0.088 38.130 38.000 0.070 0.000 0.877 1341 I HN 0.778 nan 8.210 nan 0.000 0.324 1342 E N 0.380 120.623 120.200 0.071 0.000 2.086 1342 E HA -0.294 4.055 4.350 -0.000 0.000 0.200 1342 E C 2.080 178.724 176.600 0.073 0.000 1.012 1342 E CA 1.826 58.266 56.400 0.067 0.000 0.812 1342 E CB -0.470 29.265 29.700 0.058 0.000 0.743 1342 E HN 0.771 nan 8.360 nan 0.000 0.453 1343 A N 0.428 123.294 122.820 0.078 0.000 2.066 1343 A HA 0.031 4.351 4.320 -0.000 0.000 0.218 1343 A C 2.329 179.985 177.584 0.121 0.000 1.157 1343 A CA 1.513 53.602 52.037 0.087 0.000 0.670 1343 A CB -0.545 18.507 19.000 0.086 0.000 0.804 1343 A HN 0.317 nan 8.150 nan 0.000 0.453 1344 G N -0.509 108.369 108.800 0.130 0.000 2.424 1344 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.214 1344 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.214 1344 G C 1.687 176.689 174.900 0.171 0.000 1.202 1344 G CA 0.727 45.932 45.100 0.176 0.000 0.793 1344 G HN 0.468 nan 8.290 nan 0.000 0.534 1345 R N 0.692 121.269 120.500 0.127 0.000 2.119 1345 R HA -0.166 4.174 4.340 -0.000 0.000 0.246 1345 R C 2.781 179.153 176.300 0.120 0.000 1.146 1345 R CA 1.677 57.841 56.100 0.107 0.000 0.962 1345 R CB -0.478 29.867 30.300 0.075 0.000 0.863 1345 R HN 0.307 nan 8.270 nan 0.000 0.442 1346 A N 0.694 123.579 122.820 0.108 0.000 1.842 1346 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 1346 A C 2.400 180.070 177.584 0.144 0.000 1.206 1346 A CA 2.220 54.316 52.037 0.098 0.000 0.630 1346 A CB -1.157 17.878 19.000 0.057 0.000 0.839 1346 A HN 0.544 nan 8.150 nan 0.000 0.447 1347 A N -0.912 122.008 122.820 0.167 0.000 1.908 1347 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 1347 A C 2.161 179.865 177.584 0.199 0.000 1.181 1347 A CA 1.944 54.140 52.037 0.264 0.000 0.627 1347 A CB -0.748 18.527 19.000 0.458 0.000 0.818 1347 A HN 0.757 nan 8.150 nan 0.000 0.445 1348 L N -1.287 120.006 121.223 0.118 0.000 1.971 1348 L HA -0.229 4.111 4.340 -0.000 0.000 0.215 1348 L C 2.374 179.200 176.870 -0.073 0.000 1.072 1348 L CA 2.793 57.560 54.840 -0.122 0.000 0.758 1348 L CB -1.137 40.883 42.059 -0.064 0.000 0.889 1348 L HN 0.567 nan 8.230 nan 0.000 0.433 1349 Y N -0.066 120.201 120.300 -0.055 0.000 2.128 1349 Y HA -0.296 4.253 4.550 -0.000 0.000 0.284 1349 Y C 2.613 178.537 175.900 0.039 0.000 1.154 1349 Y CA 2.209 60.290 58.100 -0.031 0.000 1.149 1349 Y CB -0.263 38.172 38.460 -0.041 0.000 0.976 1349 Y HN 0.140 nan 8.280 nan 0.000 0.505 1350 K N 0.773 121.337 120.400 0.274 0.000 2.015 1350 K HA -0.300 4.020 4.320 -0.000 0.000 0.220 1350 K C 2.055 178.737 176.600 0.136 0.000 1.055 1350 K CA 2.257 58.675 56.287 0.219 0.000 0.951 1350 K CB -0.648 31.950 32.500 0.163 0.000 0.725 1350 K HN 0.406 nan 8.250 nan 0.000 0.449 1351 E N 0.241 120.510 120.200 0.115 0.000 2.085 1351 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 1351 E C 2.024 178.593 176.600 -0.051 0.000 0.994 1351 E CA 1.143 57.580 56.400 0.061 0.000 0.801 1351 E CB -0.235 29.467 29.700 0.002 0.000 0.743 1351 E HN 0.110 nan 8.360 nan 0.000 0.453 1352 V N 0.381 120.202 119.914 -0.155 0.000 2.287 1352 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 1352 V C 2.091 178.061 176.094 -0.206 0.000 1.053 1352 V CA 2.162 64.340 62.300 -0.203 0.000 1.027 1352 V CB -0.780 30.885 31.823 -0.263 0.000 0.646 1352 V HN 0.407 nan 8.190 nan 0.000 0.447 1353 Y N 2.057 122.114 120.300 -0.404 0.000 2.081 1353 Y HA -0.304 4.246 4.550 -0.000 0.000 0.280 1353 Y C 2.533 178.352 175.900 -0.135 0.000 1.163 1353 Y CA 2.259 60.159 58.100 -0.334 0.000 1.135 1353 Y CB -0.550 37.690 38.460 -0.367 0.000 0.970 1353 Y HN 0.321 nan 8.280 nan 0.000 0.498 1354 N N -0.098 118.555 118.700 -0.077 0.000 2.289 1354 N HA -0.162 4.578 4.740 -0.000 0.000 0.184 1354 N C 1.876 177.299 175.510 -0.145 0.000 1.016 1354 N CA 1.572 54.565 53.050 -0.095 0.000 0.872 1354 N CB -0.257 38.272 38.487 0.070 0.000 0.973 1354 N HN 0.340 nan 8.380 nan 0.000 0.433 1355 V N 1.612 121.443 119.914 -0.138 0.000 2.427 1355 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 1355 V C 2.101 178.107 176.094 -0.146 0.000 1.051 1355 V CA 1.220 63.451 62.300 -0.115 0.000 1.048 1355 V CB -0.267 31.494 31.823 -0.103 0.000 0.666 1355 V HN 0.240 nan 8.190 nan 0.000 0.456 1356 I N 0.065 120.505 120.570 -0.216 0.000 3.419 1356 I HA 0.067 4.237 4.170 -0.000 0.000 0.286 1356 I C 2.307 178.273 176.117 -0.252 0.000 1.268 1356 I CA 0.840 62.015 61.300 -0.210 0.000 1.414 1356 I CB -0.279 37.594 38.000 -0.212 0.000 1.074 1356 I HN 0.233 nan 8.210 nan 0.000 0.457 1357 A N 0.755 123.359 122.820 -0.361 0.000 2.081 1357 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 1357 A C 2.391 179.879 177.584 -0.159 0.000 1.158 1357 A CA 1.031 52.865 52.037 -0.338 0.000 0.724 1357 A CB -0.395 18.288 19.000 -0.528 0.000 0.826 1357 A HN 0.434 nan 8.150 nan 0.000 0.463 1358 S N -0.176 115.449 115.700 -0.125 0.000 2.469 1358 S HA -0.129 4.340 4.470 -0.000 0.000 0.238 1358 S C 0.936 175.504 174.600 -0.053 0.000 0.998 1358 S CA 1.389 59.549 58.200 -0.067 0.000 0.957 1358 S CB -0.277 62.892 63.200 -0.052 0.000 0.764 1358 S HN 0.538 nan 8.310 nan 0.000 0.514 1359 D N 0.386 120.747 120.400 -0.066 0.000 2.369 1359 D HA 0.254 4.893 4.640 -0.000 0.000 0.211 1359 D C 1.577 177.856 176.300 -0.035 0.000 1.077 1359 D CA 0.683 54.657 54.000 -0.045 0.000 0.842 1359 D CB 0.603 41.374 40.800 -0.048 0.000 0.947 1359 D HN 0.571 nan 8.370 nan 0.000 0.509 1360 G N 1.288 110.059 108.800 -0.047 0.000 2.396 1360 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.242 1360 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.242 1360 G C 0.688 175.585 174.900 -0.004 0.000 1.069 1360 G CA 0.471 45.555 45.100 -0.026 0.000 0.633 1360 G HN 0.348 nan 8.290 nan 0.000 0.517 1361 S N 0.426 116.122 115.700 -0.007 0.000 2.558 1361 S HA 0.297 4.767 4.470 -0.000 0.000 0.297 1361 S C -0.193 174.452 174.600 0.074 0.000 1.283 1361 S CA 0.795 59.008 58.200 0.021 0.000 1.044 1361 S CB 0.697 63.886 63.200 -0.019 0.000 0.789 1361 S HN 1.104 nan 8.310 nan 0.000 0.500 1362 Y N 2.051 122.340 120.300 -0.019 0.000 2.393 1362 Y HA 0.630 5.180 4.550 -0.000 0.000 0.341 1362 Y C -1.014 174.917 175.900 0.051 0.000 0.988 1362 Y CA -1.353 56.751 58.100 0.007 0.000 1.078 1362 Y CB 1.011 39.486 38.460 0.025 0.000 1.203 1362 Y HN 0.382 nan 8.280 nan 0.000 0.453 1363 V N 5.897 125.558 119.914 -0.422 0.000 2.709 1363 V HA 0.271 4.390 4.120 -0.000 0.000 0.308 1363 V C -0.597 175.237 176.094 -0.433 0.000 1.062 1363 V CA -1.366 60.689 62.300 -0.409 0.000 0.901 1363 V CB 1.877 33.669 31.823 -0.052 0.000 1.003 1363 V HN 0.857 nan 8.190 nan 0.000 0.425 1364 N N 2.273 120.727 118.700 -0.410 0.000 2.431 1364 N HA 0.049 4.789 4.740 -0.000 0.000 0.265 1364 N C 1.165 176.672 175.510 -0.005 0.000 1.184 1364 N CA -0.126 52.827 53.050 -0.163 0.000 0.943 1364 N CB 0.262 38.604 38.487 -0.241 0.000 1.080 1364 N HN 0.788 nan 8.380 nan 0.000 0.477 1365 Y N 5.253 125.631 120.300 0.129 0.000 2.185 1365 Y HA -0.490 4.060 4.550 -0.000 0.000 0.268 1365 Y C 2.152 178.107 175.900 0.092 0.000 1.281 1365 Y CA 2.605 60.830 58.100 0.208 0.000 1.101 1365 Y CB -0.171 38.368 38.460 0.131 0.000 0.914 1365 Y HN 0.697 nan 8.280 nan 0.000 0.517 1366 R N -1.070 119.488 120.500 0.096 0.000 2.113 1366 R HA -0.254 4.086 4.340 -0.000 0.000 0.244 1366 R C 1.839 178.139 176.300 0.001 0.000 1.142 1366 R CA 1.900 57.976 56.100 -0.041 0.000 0.953 1366 R CB -1.319 28.859 30.300 -0.204 0.000 0.860 1366 R HN 0.456 nan 8.270 nan 0.000 0.438 1367 H N 1.278 120.402 119.070 0.089 0.000 2.253 1367 H HA -0.072 4.484 4.556 -0.000 0.000 0.296 1367 H C 2.410 177.738 175.328 0.001 0.000 1.067 1367 H CA 2.036 58.115 56.048 0.051 0.000 1.245 1367 H CB -0.680 29.092 29.762 0.016 0.000 1.364 1367 H HN 0.227 nan 8.280 nan 0.000 0.494 1368 M N 0.366 120.052 119.600 0.143 0.000 2.088 1368 M HA -0.202 4.278 4.480 -0.000 0.000 0.256 1368 M C 2.746 179.072 176.300 0.043 0.000 1.071 1368 M CA 1.779 57.110 55.300 0.052 0.000 1.097 1368 M CB -0.622 31.989 32.600 0.018 0.000 1.315 1368 M HN 0.295 nan 8.290 nan 0.000 0.406 1369 A N 0.716 123.508 122.820 -0.048 0.000 1.873 1369 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 1369 A C 2.138 179.673 177.584 -0.081 0.000 1.193 1369 A CA 1.903 53.813 52.037 -0.212 0.000 0.629 1369 A CB -1.039 17.486 19.000 -0.792 0.000 0.826 1369 A HN 0.446 nan 8.150 nan 0.000 0.447 1370 L N -0.140 121.066 121.223 -0.027 0.000 1.951 1370 L HA -0.240 4.100 4.340 -0.000 0.000 0.222 1370 L C 2.437 179.291 176.870 -0.026 0.000 1.078 1370 L CA 2.721 57.565 54.840 0.006 0.000 0.778 1370 L CB -0.968 41.128 42.059 0.061 0.000 0.893 1370 L HN 0.525 nan 8.230 nan 0.000 0.436 1371 L N -1.268 119.935 121.223 -0.032 0.000 2.021 1371 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 1371 L C 2.431 179.271 176.870 -0.048 0.000 1.074 1371 L CA 2.247 57.048 54.840 -0.065 0.000 0.760 1371 L CB -0.910 41.101 42.059 -0.079 0.000 0.889 1371 L HN 0.203 nan 8.230 nan 0.000 0.433 1372 V N 0.239 120.137 119.914 -0.026 0.000 2.392 1372 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 1372 V C 2.207 178.301 176.094 -0.000 0.000 1.059 1372 V CA 2.386 64.683 62.300 -0.005 0.000 1.051 1372 V CB -0.604 31.250 31.823 0.052 0.000 0.658 1372 V HN 0.649 nan 8.190 nan 0.000 0.455 1373 D N -0.283 120.108 120.400 -0.016 0.000 2.077 1373 D HA -0.118 4.522 4.640 -0.000 0.000 0.196 1373 D C 2.124 178.410 176.300 -0.022 0.000 0.986 1373 D CA 1.726 55.714 54.000 -0.020 0.000 0.829 1373 D CB -0.407 40.371 40.800 -0.037 0.000 0.983 1373 D HN 0.382 nan 8.370 nan 0.000 0.453 1374 V N 1.483 121.374 119.914 -0.039 0.000 2.636 1374 V HA -0.265 3.855 4.120 -0.000 0.000 0.258 1374 V C 2.352 178.439 176.094 -0.011 0.000 1.092 1374 V CA 1.335 63.609 62.300 -0.043 0.000 1.110 1374 V CB -0.525 31.250 31.823 -0.080 0.000 0.685 1374 V HN 0.241 nan 8.190 nan 0.000 0.481 1375 M N -0.109 119.493 119.600 0.003 0.000 2.325 1375 M HA -0.057 4.423 4.480 -0.000 0.000 0.265 1375 M C 2.417 178.751 176.300 0.057 0.000 1.094 1375 M CA 1.901 57.226 55.300 0.041 0.000 1.161 1375 M CB -0.525 32.101 32.600 0.043 0.000 1.358 1375 M HN 0.583 nan 8.290 nan 0.000 0.446 1376 T N -2.135 112.447 114.554 0.046 0.000 2.939 1376 T HA -0.064 4.286 4.350 -0.000 0.000 0.254 1376 T C 1.919 176.643 174.700 0.040 0.000 1.041 1376 T CA 1.452 63.586 62.100 0.055 0.000 1.142 1376 T CB -1.017 67.886 68.868 0.058 0.000 0.874 1376 T HN 0.461 nan 8.240 nan 0.000 0.452 1377 T N 0.973 115.537 114.554 0.016 0.000 2.594 1377 T HA -0.410 3.939 4.350 -0.000 0.000 0.266 1377 T C 2.015 176.726 174.700 0.019 0.000 1.070 1377 T CA 2.250 64.351 62.100 0.001 0.000 1.166 1377 T CB -1.225 67.622 68.868 -0.035 0.000 0.862 1377 T HN 0.391 nan 8.240 nan 0.000 0.436 1378 Q N 2.279 122.094 119.800 0.026 0.000 2.188 1378 Q HA -0.116 4.224 4.340 -0.000 0.000 0.217 1378 Q C 1.999 178.024 176.000 0.042 0.000 1.018 1378 Q CA 3.036 58.862 55.803 0.038 0.000 0.910 1378 Q CB -1.148 27.622 28.738 0.053 0.000 0.979 1378 Q HN 0.969 nan 8.270 nan 0.000 0.413 1379 G N -4.549 104.279 108.800 0.047 0.000 3.724 1379 G HA2 0.183 4.143 3.960 -0.000 0.000 0.212 1379 G HA3 0.183 4.143 3.960 -0.000 0.000 0.212 1379 G C 0.407 175.340 174.900 0.054 0.000 0.928 1379 G CA 0.150 45.279 45.100 0.048 0.000 0.879 1379 G HN 0.772 nan 8.290 nan 0.000 0.424 1380 G N -0.362 108.475 108.800 0.062 0.000 3.517 1380 G HA2 0.486 4.446 3.960 -0.000 0.000 0.173 1380 G HA3 0.486 4.446 3.960 -0.000 0.000 0.173 1380 G C -1.024 173.930 174.900 0.090 0.000 1.340 1380 G CA -0.137 45.005 45.100 0.070 0.000 1.228 1380 G HN 0.528 nan 8.290 nan 0.000 0.745 1381 L N 2.550 123.831 121.223 0.097 0.000 2.457 1381 L HA 0.396 4.735 4.340 -0.000 0.000 0.252 1381 L C -0.363 176.582 176.870 0.125 0.000 1.132 1381 L CA -0.275 54.643 54.840 0.129 0.000 0.938 1381 L CB 1.407 43.562 42.059 0.160 0.000 1.246 1381 L HN 0.267 nan 8.230 nan 0.000 0.476 1382 T N 1.077 115.701 114.554 0.118 0.000 2.834 1382 T HA 0.132 4.482 4.350 -0.000 0.000 0.298 1382 T C 0.548 175.344 174.700 0.160 0.000 0.966 1382 T CA -0.150 62.029 62.100 0.131 0.000 1.141 1382 T CB 0.662 69.606 68.868 0.128 0.000 0.905 1382 T HN 0.574 nan 8.240 nan 0.000 0.535 1383 S N 2.261 118.069 115.700 0.179 0.000 2.584 1383 S HA 0.304 4.774 4.470 -0.000 0.000 0.273 1383 S C 0.398 175.176 174.600 0.296 0.000 1.311 1383 S CA -1.051 57.271 58.200 0.203 0.000 1.034 1383 S CB 0.949 64.260 63.200 0.185 0.000 0.939 1383 S HN 0.435 nan 8.310 nan 0.000 0.513 1384 V N 2.821 122.896 119.914 0.269 0.000 2.055 1384 V HA 0.363 4.482 4.120 -0.000 0.000 0.248 1384 V C 0.739 177.110 176.094 0.461 0.000 1.476 1384 V CA 0.171 62.698 62.300 0.377 0.000 1.417 1384 V CB -1.687 30.191 31.823 0.091 0.000 1.465 1384 V HN 1.132 nan 8.190 nan 0.000 0.502 1385 T N -0.815 114.003 114.554 0.441 0.000 2.769 1385 T HA 0.360 4.710 4.350 -0.000 0.000 0.306 1385 T C 0.818 175.442 174.700 -0.127 0.000 1.400 1385 T CA -0.563 61.666 62.100 0.215 0.000 1.007 1385 T CB 1.842 70.801 68.868 0.152 0.000 1.392 1385 T HN 0.235 nan 8.240 nan 0.000 0.500 1386 R N 0.012 120.349 120.500 -0.272 0.000 2.133 1386 R HA -0.214 4.126 4.340 -0.000 0.000 0.247 1386 R C 1.555 177.595 176.300 -0.433 0.000 1.151 1386 R CA 2.144 57.912 56.100 -0.553 0.000 0.971 1386 R CB -0.608 29.279 30.300 -0.689 0.000 0.866 1386 R HN 0.766 nan 8.270 nan 0.000 0.447 1387 H N -0.881 118.108 119.070 -0.135 0.000 2.343 1387 H HA 0.084 4.640 4.556 -0.000 0.000 0.303 1387 H C 1.777 177.062 175.328 -0.073 0.000 1.068 1387 H CA 1.178 57.174 56.048 -0.086 0.000 1.359 1387 H CB -0.598 29.145 29.762 -0.033 0.000 1.402 1387 H HN 0.401 nan 8.280 nan 0.000 0.515 1388 G N 1.166 110.011 108.800 0.075 0.000 2.713 1388 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.170 1388 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.170 1388 G C 1.452 176.375 174.900 0.040 0.000 1.724 1388 G CA 0.692 45.849 45.100 0.095 0.000 0.892 1388 G HN 0.370 nan 8.290 nan 0.000 0.376 1389 F N 1.500 121.499 119.950 0.082 0.000 2.063 1389 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 1389 F C 1.621 177.464 175.800 0.071 0.000 1.109 1389 F CA 1.463 59.499 58.000 0.061 0.000 1.212 1389 F CB -1.104 37.918 39.000 0.036 0.000 0.973 1389 F HN 0.214 nan 8.300 nan 0.000 0.480 1390 N N 0.695 118.802 118.700 -0.990 0.000 2.780 1390 N HA -0.052 4.688 4.740 -0.000 0.000 0.250 1390 N C 0.848 176.239 175.510 -0.199 0.000 1.409 1390 N CA 0.438 53.198 53.050 -0.485 0.000 0.965 1390 N CB -0.286 37.866 38.487 -0.559 0.000 1.314 1390 N HN 0.650 nan 8.380 nan 0.000 0.526 1391 R N -2.343 118.103 120.500 -0.091 0.000 2.635 1391 R HA 0.203 4.543 4.340 -0.000 0.000 0.241 1391 R C 0.184 176.485 176.300 0.000 0.000 0.941 1391 R CA 0.006 56.079 56.100 -0.046 0.000 1.014 1391 R CB -0.752 29.528 30.300 -0.034 0.000 1.517 1391 R HN 0.109 nan 8.270 nan 0.000 0.594 1392 S N 1.738 117.459 115.700 0.035 0.000 2.573 1392 S HA -0.005 4.465 4.470 -0.000 0.000 0.277 1392 S C 0.675 175.299 174.600 0.039 0.000 1.346 1392 S CA -0.078 58.151 58.200 0.049 0.000 1.034 1392 S CB 0.266 63.512 63.200 0.077 0.000 0.879 1392 S HN 0.479 nan 8.310 nan 0.000 0.528 1393 N N 0.821 119.542 118.700 0.034 0.000 2.655 1393 N HA -0.145 4.595 4.740 -0.000 0.000 0.204 1393 N C -0.003 175.528 175.510 0.035 0.000 1.089 1393 N CA 0.859 53.927 53.050 0.030 0.000 0.946 1393 N CB -1.218 37.289 38.487 0.032 0.000 0.956 1393 N HN 0.636 nan 8.380 nan 0.000 0.454 1394 T N 0.633 115.213 114.554 0.043 0.000 2.855 1394 T HA 0.203 4.553 4.350 -0.000 0.000 0.322 1394 T C 1.296 176.019 174.700 0.039 0.000 1.088 1394 T CA 0.023 62.151 62.100 0.047 0.000 1.104 1394 T CB 0.673 69.579 68.868 0.064 0.000 0.996 1394 T HN 0.305 nan 8.240 nan 0.000 0.549 1395 G N -0.187 108.640 108.800 0.045 0.000 2.559 1395 G HA2 0.345 4.305 3.960 -0.000 0.000 0.235 1395 G HA3 0.345 4.305 3.960 -0.000 0.000 0.235 1395 G C 1.153 176.073 174.900 0.033 0.000 1.266 1395 G CA -0.282 44.851 45.100 0.055 0.000 0.847 1395 G HN 0.918 nan 8.290 nan 0.000 0.583 1396 A N 1.791 124.622 122.820 0.018 0.000 1.841 1396 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 1396 A C 2.534 180.078 177.584 -0.067 0.000 1.199 1396 A CA 1.644 53.619 52.037 -0.102 0.000 0.621 1396 A CB -0.735 18.057 19.000 -0.346 0.000 0.835 1396 A HN 0.659 nan 8.150 nan 0.000 0.445 1397 L N -1.334 119.903 121.223 0.024 0.000 2.030 1397 L HA -0.350 3.990 4.340 -0.000 0.000 0.222 1397 L C 2.884 179.771 176.870 0.028 0.000 1.082 1397 L CA 2.437 57.310 54.840 0.054 0.000 0.785 1397 L CB -0.482 41.651 42.059 0.123 0.000 0.895 1397 L HN 0.685 nan 8.230 nan 0.000 0.439 1398 M N -0.428 119.196 119.600 0.039 0.000 2.073 1398 M HA -0.287 4.193 4.480 -0.000 0.000 0.258 1398 M C 2.412 178.747 176.300 0.060 0.000 1.070 1398 M CA 1.946 57.273 55.300 0.044 0.000 1.103 1398 M CB -0.153 32.476 32.600 0.048 0.000 1.321 1398 M HN 0.044 nan 8.290 nan 0.000 0.405 1399 R N -0.366 120.163 120.500 0.048 0.000 2.148 1399 R HA -0.149 4.191 4.340 -0.000 0.000 0.227 1399 R C 2.582 178.899 176.300 0.029 0.000 1.103 1399 R CA 1.320 57.455 56.100 0.058 0.000 0.983 1399 R CB -1.034 29.268 30.300 0.004 0.000 0.874 1399 R HN 0.728 nan 8.270 nan 0.000 0.451 1400 C N 1.127 120.418 119.300 -0.015 0.000 2.403 1400 C HA -0.089 4.371 4.460 -0.000 0.000 0.277 1400 C C 2.191 177.180 174.990 -0.001 0.000 1.248 1400 C CA 1.165 60.154 59.018 -0.047 0.000 1.762 1400 C CB -0.927 26.771 27.740 -0.070 0.000 2.014 1400 C HN 0.482 nan 8.230 nan 0.000 0.486 1401 S N -1.325 114.405 115.700 0.051 0.000 2.871 1401 S HA 0.288 4.758 4.470 -0.000 0.000 0.254 1401 S C -0.214 174.515 174.600 0.214 0.000 1.088 1401 S CA -0.227 58.025 58.200 0.086 0.000 1.166 1401 S CB -0.960 62.279 63.200 0.065 0.000 0.826 1401 S HN 0.786 nan 8.310 nan 0.000 0.471 1402 F N 1.013 120.950 119.950 -0.022 0.000 3.181 1402 F HA 0.290 4.816 4.527 -0.000 0.000 0.418 1402 F C 0.176 175.947 175.800 -0.049 0.000 1.117 1402 F CA -1.030 56.966 58.000 -0.008 0.000 1.255 1402 F CB -0.666 38.356 39.000 0.036 0.000 2.615 1402 F HN 0.358 nan 8.300 nan 0.000 0.640 1403 E N -0.200 119.797 120.200 -0.338 0.000 4.643 1403 E HA -0.212 4.138 4.350 -0.000 0.000 0.246 1403 E C 0.774 177.194 176.600 -0.299 0.000 0.791 1403 E CA 1.317 57.456 56.400 -0.435 0.000 2.108 1403 E CB -0.780 28.426 29.700 -0.824 0.000 1.751 1403 E HN 0.494 nan 8.360 nan 0.000 0.510 1404 E N 0.657 120.703 120.200 -0.258 0.000 2.400 1404 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 1404 E C 1.311 177.816 176.600 -0.157 0.000 1.012 1404 E CA 1.224 57.510 56.400 -0.190 0.000 0.875 1404 E CB 0.047 29.645 29.700 -0.172 0.000 0.859 1404 E HN 0.359 nan 8.360 nan 0.000 0.498 1405 T N 1.324 115.790 114.554 -0.146 0.000 3.037 1405 T HA -0.345 4.004 4.350 -0.000 0.000 0.123 1405 T C 1.813 176.398 174.700 -0.192 0.000 1.771 1405 T CA 2.897 64.914 62.100 -0.137 0.000 0.871 1405 T CB -1.267 67.529 68.868 -0.120 0.000 0.921 1405 T HN 0.065 nan 8.240 nan 0.000 0.425 1406 V N 2.677 122.455 119.914 -0.227 0.000 2.216 1406 V HA -0.215 3.905 4.120 -0.000 0.000 0.243 1406 V C 2.647 178.486 176.094 -0.425 0.000 1.044 1406 V CA 2.661 64.724 62.300 -0.396 0.000 0.995 1406 V CB -0.935 30.650 31.823 -0.396 0.000 0.633 1406 V HN 0.652 nan 8.190 nan 0.000 0.446 1407 E N -0.117 119.963 120.200 -0.199 0.000 2.136 1407 E HA -0.334 4.015 4.350 -0.000 0.000 0.208 1407 E C 2.166 178.746 176.600 -0.033 0.000 1.035 1407 E CA 2.189 58.587 56.400 -0.002 0.000 0.838 1407 E CB -0.511 29.191 29.700 0.002 0.000 0.748 1407 E HN 0.577 nan 8.360 nan 0.000 0.459 1408 I N 0.896 121.394 120.570 -0.120 0.000 2.208 1408 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 1408 I C 2.408 178.412 176.117 -0.189 0.000 1.097 1408 I CA 0.996 62.214 61.300 -0.137 0.000 1.363 1408 I CB -0.009 37.902 38.000 -0.148 0.000 1.051 1408 I HN 0.113 nan 8.210 nan 0.000 0.413 1409 L N -0.716 120.354 121.223 -0.254 0.000 2.005 1409 L HA -0.218 4.121 4.340 -0.000 0.000 0.207 1409 L C 2.483 179.271 176.870 -0.137 0.000 1.072 1409 L CA 1.429 56.063 54.840 -0.342 0.000 0.744 1409 L CB -0.826 41.027 42.059 -0.343 0.000 0.895 1409 L HN 0.166 nan 8.230 nan 0.000 0.433 1410 F N 0.454 120.377 119.950 -0.046 0.000 2.045 1410 F HA -0.348 4.179 4.527 -0.000 0.000 0.297 1410 F C 2.820 178.654 175.800 0.057 0.000 1.114 1410 F CA 1.148 59.222 58.000 0.124 0.000 1.207 1410 F CB -0.216 38.863 39.000 0.131 0.000 0.964 1410 F HN 0.150 nan 8.300 nan 0.000 0.486 1411 E N 0.453 120.732 120.200 0.133 0.000 2.331 1411 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 1411 E C 2.000 178.507 176.600 -0.155 0.000 1.008 1411 E CA 0.893 57.240 56.400 -0.088 0.000 0.843 1411 E CB -0.183 29.456 29.700 -0.102 0.000 0.761 1411 E HN 0.410 nan 8.360 nan 0.000 0.507 1412 A N 0.043 122.770 122.820 -0.156 0.000 1.897 1412 A HA 0.003 4.323 4.320 -0.000 0.000 0.215 1412 A C 2.418 179.972 177.584 -0.050 0.000 1.181 1412 A CA 1.487 53.394 52.037 -0.217 0.000 0.620 1412 A CB -0.739 17.890 19.000 -0.617 0.000 0.821 1412 A HN 0.327 nan 8.150 nan 0.000 0.443 1413 G N -0.630 108.199 108.800 0.047 0.000 2.448 1413 G HA2 0.103 4.063 3.960 -0.000 0.000 0.218 1413 G HA3 0.103 4.063 3.960 -0.000 0.000 0.218 1413 G C 1.632 176.550 174.900 0.029 0.000 1.135 1413 G CA 1.234 46.434 45.100 0.166 0.000 0.784 1413 G HN 0.715 nan 8.290 nan 0.000 0.543 1414 A N 0.498 123.210 122.820 -0.180 0.000 1.898 1414 A HA 0.150 4.469 4.320 -0.000 0.000 0.216 1414 A C 2.185 179.480 177.584 -0.482 0.000 1.181 1414 A CA 1.799 53.541 52.037 -0.493 0.000 0.620 1414 A CB -0.165 18.341 19.000 -0.824 0.000 0.819 1414 A HN 0.231 nan 8.150 nan 0.000 0.442 1415 S N -0.386 115.095 115.700 -0.365 0.000 2.537 1415 S HA 0.480 4.950 4.470 -0.000 0.000 0.246 1415 S C 0.674 175.214 174.600 -0.100 0.000 1.036 1415 S CA 0.217 58.227 58.200 -0.316 0.000 1.041 1415 S CB -0.166 62.852 63.200 -0.304 0.000 0.799 1415 S HN 1.282 nan 8.310 nan 0.000 0.456 1416 A N 1.979 124.798 122.820 -0.002 0.000 2.089 1416 A HA -0.235 4.085 4.320 -0.000 0.000 0.265 1416 A C 0.555 178.239 177.584 0.167 0.000 1.315 1416 A CA 0.791 52.920 52.037 0.153 0.000 0.768 1416 A CB -1.241 17.904 19.000 0.242 0.000 1.112 1416 A HN 0.657 nan 8.150 nan 0.000 0.336 1417 E N -1.539 118.756 120.200 0.158 0.000 2.435 1417 E HA 0.415 4.765 4.350 -0.000 0.000 0.256 1417 E C -0.136 176.607 176.600 0.238 0.000 1.245 1417 E CA -0.267 56.230 56.400 0.162 0.000 0.989 1417 E CB 0.372 30.145 29.700 0.121 0.000 0.983 1417 E HN 0.572 nan 8.360 nan 0.000 0.480 1418 L N 1.006 122.337 121.223 0.181 0.000 2.431 1418 L HA 0.342 4.682 4.340 -0.000 0.000 0.266 1418 L C -1.525 175.423 176.870 0.129 0.000 0.978 1418 L CA -0.419 54.503 54.840 0.136 0.000 0.822 1418 L CB 2.084 44.200 42.059 0.096 0.000 1.310 1418 L HN 0.351 nan 8.230 nan 0.000 0.409 1419 D N 2.460 122.921 120.400 0.101 0.000 2.408 1419 D HA 0.250 4.890 4.640 -0.000 0.000 0.243 1419 D C 0.138 176.463 176.300 0.042 0.000 1.075 1419 D CA -0.158 53.899 54.000 0.096 0.000 0.832 1419 D CB 1.688 42.579 40.800 0.152 0.000 1.162 1419 D HN 0.625 nan 8.370 nan 0.000 0.515 1420 D N 1.955 122.378 120.400 0.039 0.000 2.144 1420 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 1420 D C 0.810 177.115 176.300 0.009 0.000 0.984 1420 D CA 0.723 54.735 54.000 0.021 0.000 0.834 1420 D CB 0.087 40.901 40.800 0.024 0.000 0.955 1420 D HN 0.498 nan 8.370 nan 0.000 0.465 1421 C N 0.162 119.470 119.300 0.014 0.000 4.657 1421 C HA -0.125 4.335 4.460 -0.000 0.000 0.299 1421 C C 1.448 176.433 174.990 -0.008 0.000 1.259 1421 C CA -0.315 58.704 59.018 0.002 0.000 2.148 1421 C CB -2.561 25.171 27.740 -0.013 0.000 1.207 1421 C HN 0.418 nan 8.230 nan 0.000 0.764 1422 R N 0.427 120.927 120.500 0.000 0.000 2.265 1422 R HA 0.199 4.539 4.340 -0.000 0.000 0.194 1422 R C 1.415 177.709 176.300 -0.011 0.000 0.931 1422 R CA 0.691 56.786 56.100 -0.008 0.000 1.032 1422 R CB 0.246 30.551 30.300 0.008 0.000 0.980 1422 R HN 0.612 nan 8.270 nan 0.000 0.497 1423 G N 0.610 109.410 108.800 -0.000 0.000 2.406 1423 G HA2 0.199 4.159 3.960 -0.000 0.000 0.251 1423 G HA3 0.199 4.159 3.960 -0.000 0.000 0.251 1423 G C 1.191 176.081 174.900 -0.017 0.000 1.271 1423 G CA -0.545 44.554 45.100 -0.001 0.000 0.859 1423 G HN -0.121 nan 8.290 nan 0.000 0.540 1424 V N 3.023 122.921 119.914 -0.026 0.000 2.222 1424 V HA -0.285 3.835 4.120 -0.000 0.000 0.252 1424 V C 3.033 179.109 176.094 -0.031 0.000 1.060 1424 V CA 2.682 64.958 62.300 -0.039 0.000 1.027 1424 V CB -1.097 30.699 31.823 -0.046 0.000 0.644 1424 V HN 0.729 nan 8.190 nan 0.000 0.448 1425 S N -0.461 115.227 115.700 -0.020 0.000 2.368 1425 S HA -0.271 4.199 4.470 -0.000 0.000 0.226 1425 S C 1.876 176.473 174.600 -0.006 0.000 1.044 1425 S CA 1.790 59.983 58.200 -0.011 0.000 1.062 1425 S CB -0.541 62.661 63.200 0.003 0.000 0.931 1425 S HN 0.716 nan 8.310 nan 0.000 0.440 1426 E N 1.960 122.162 120.200 0.002 0.000 2.095 1426 E HA -0.239 4.111 4.350 -0.000 0.000 0.212 1426 E C 1.775 178.370 176.600 -0.008 0.000 1.044 1426 E CA 1.450 57.855 56.400 0.008 0.000 0.857 1426 E CB -1.042 28.664 29.700 0.010 0.000 0.764 1426 E HN 0.634 nan 8.360 nan 0.000 0.462 1427 N N 0.750 119.438 118.700 -0.021 0.000 2.013 1427 N HA -0.138 4.602 4.740 -0.000 0.000 0.195 1427 N C 2.237 177.729 175.510 -0.031 0.000 1.051 1427 N CA 1.970 55.001 53.050 -0.031 0.000 0.851 1427 N CB -0.465 37.996 38.487 -0.044 0.000 1.044 1427 N HN 0.024 nan 8.380 nan 0.000 0.422 1428 V N 2.292 122.186 119.914 -0.032 0.000 2.280 1428 V HA -0.302 3.818 4.120 -0.000 0.000 0.258 1428 V C 2.309 178.388 176.094 -0.025 0.000 1.081 1428 V CA 1.833 64.114 62.300 -0.032 0.000 1.070 1428 V CB -0.880 30.925 31.823 -0.030 0.000 0.666 1428 V HN 0.281 nan 8.190 nan 0.000 0.450 1429 I N -0.681 119.879 120.570 -0.017 0.000 2.163 1429 I HA -0.197 3.973 4.170 -0.000 0.000 0.240 1429 I C 2.366 178.473 176.117 -0.017 0.000 1.081 1429 I CA 1.589 62.883 61.300 -0.012 0.000 1.353 1429 I CB -0.321 37.679 38.000 0.001 0.000 1.054 1429 I HN 0.228 nan 8.210 nan 0.000 0.407 1430 L N 0.722 121.933 121.223 -0.019 0.000 2.353 1430 L HA -0.087 4.253 4.340 -0.000 0.000 0.220 1430 L C 1.422 178.274 176.870 -0.031 0.000 1.133 1430 L CA 0.947 55.772 54.840 -0.027 0.000 0.798 1430 L CB -0.708 41.334 42.059 -0.030 0.000 0.922 1430 L HN 0.597 nan 8.230 nan 0.000 0.445 1431 G N 0.012 108.793 108.800 -0.032 0.000 2.182 1431 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 1431 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 1431 G C -0.020 174.857 174.900 -0.040 0.000 1.042 1431 G CA -0.118 44.961 45.100 -0.035 0.000 0.775 1431 G HN 0.452 nan 8.290 nan 0.000 0.501 1432 Q N -0.865 118.910 119.800 -0.042 0.000 2.297 1432 Q HA 0.634 4.974 4.340 -0.000 0.000 0.268 1432 Q C 0.424 176.390 176.000 -0.056 0.000 1.045 1432 Q CA -1.085 54.690 55.803 -0.047 0.000 0.861 1432 Q CB 1.685 30.396 28.738 -0.045 0.000 1.344 1432 Q HN 0.382 nan 8.270 nan 0.000 0.452 1433 M N 1.657 121.219 119.600 -0.064 0.000 2.217 1433 M HA 0.289 4.769 4.480 -0.000 0.000 0.352 1433 M C -0.839 175.407 176.300 -0.089 0.000 1.376 1433 M CA -0.010 55.243 55.300 -0.079 0.000 1.107 1433 M CB 0.431 32.977 32.600 -0.090 0.000 1.723 1433 M HN 0.778 nan 8.290 nan 0.000 0.461 1434 A N 7.068 129.832 122.820 -0.093 0.000 2.309 1434 A HA 0.554 4.874 4.320 -0.000 0.000 0.298 1434 A C -2.381 175.127 177.584 -0.126 0.000 1.165 1434 A CA -1.600 50.380 52.037 -0.095 0.000 0.821 1434 A CB -0.101 18.851 19.000 -0.079 0.000 1.102 1434 A HN 0.648 nan 8.150 nan 0.000 0.500 1435 P HA 0.102 nan 4.420 nan 0.000 0.229 1435 P C -1.038 176.160 177.300 -0.170 0.000 1.485 1435 P CA 1.195 64.195 63.100 -0.165 0.000 1.217 1435 P CB -0.591 31.025 31.700 -0.140 0.000 1.852 1436 I N 0.018 120.478 120.570 -0.183 0.000 2.607 1436 I HA 0.310 4.480 4.170 -0.000 0.000 0.290 1436 I C 1.381 177.397 176.117 -0.168 0.000 1.129 1436 I CA -0.738 60.470 61.300 -0.154 0.000 1.042 1436 I CB 2.051 39.980 38.000 -0.117 0.000 1.242 1436 I HN 0.295 nan 8.210 nan 0.000 0.421 1437 G N 3.999 112.721 108.800 -0.130 0.000 2.678 1437 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.362 1437 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.362 1437 G C 0.962 175.772 174.900 -0.150 0.000 1.169 1437 G CA 1.437 46.487 45.100 -0.083 0.000 0.933 1437 G HN 0.578 nan 8.290 nan 0.000 0.587 1438 T N 1.460 115.940 114.554 -0.124 0.000 3.070 1438 T HA 0.105 4.455 4.350 -0.000 0.000 0.270 1438 T C 1.759 176.147 174.700 -0.521 0.000 1.175 1438 T CA 1.994 63.974 62.100 -0.201 0.000 1.073 1438 T CB -0.374 68.440 68.868 -0.090 0.000 0.840 1438 T HN 1.297 nan 8.240 nan 0.000 0.576 1439 G N -0.458 108.047 108.800 -0.491 0.000 3.735 1439 G HA2 0.465 4.425 3.960 -0.000 0.000 0.283 1439 G HA3 0.465 4.425 3.960 -0.000 0.000 0.283 1439 G C 0.770 175.356 174.900 -0.524 0.000 1.007 1439 G CA 0.194 44.991 45.100 -0.504 0.000 0.821 1439 G HN 0.447 nan 8.290 nan 0.000 0.505 1440 A N 0.610 123.060 122.820 -0.616 0.000 2.412 1440 A HA 0.670 4.990 4.320 -0.000 0.000 0.253 1440 A C 0.005 177.482 177.584 -0.178 0.000 1.334 1440 A CA -0.209 51.603 52.037 -0.374 0.000 0.929 1440 A CB -0.886 17.920 19.000 -0.324 0.000 0.983 1440 A HN 0.867 nan 8.150 nan 0.000 0.508 1441 F N -4.203 115.723 119.950 -0.040 0.000 2.793 1441 F HA 0.558 5.085 4.527 -0.000 0.000 0.316 1441 F C -1.492 174.326 175.800 0.030 0.000 1.147 1441 F CA -1.942 56.080 58.000 0.038 0.000 0.930 1441 F CB 0.202 39.289 39.000 0.146 0.000 1.277 1441 F HN -0.143 nan 8.300 nan 0.000 0.443 1442 D N 0.715 121.320 120.400 0.342 0.000 2.385 1442 D HA 0.744 5.384 4.640 -0.000 0.000 0.254 1442 D C -1.029 175.436 176.300 0.275 0.000 1.053 1442 D CA -0.282 53.854 54.000 0.227 0.000 0.992 1442 D CB 2.527 43.397 40.800 0.116 0.000 1.145 1442 D HN 0.492 nan 8.370 nan 0.000 0.523 1443 V N 1.155 121.176 119.914 0.179 0.000 2.577 1443 V HA 0.468 4.587 4.120 -0.000 0.000 0.303 1443 V C -0.393 175.752 176.094 0.086 0.000 1.042 1443 V CA -0.702 61.682 62.300 0.141 0.000 0.872 1443 V CB 1.530 33.445 31.823 0.154 0.000 0.998 1443 V HN 0.420 nan 8.190 nan 0.000 0.423 1444 M N 4.648 124.288 119.600 0.067 0.000 2.662 1444 M HA 0.708 5.187 4.480 -0.000 0.000 0.310 1444 M C -0.956 175.372 176.300 0.047 0.000 1.204 1444 M CA -0.450 54.881 55.300 0.051 0.000 0.891 1444 M CB 2.050 34.677 32.600 0.045 0.000 1.732 1444 M HN 0.521 nan 8.290 nan 0.000 0.467 1445 I N 0.578 121.173 120.570 0.042 0.000 2.315 1445 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 1445 I C -0.336 175.808 176.117 0.044 0.000 1.006 1445 I CA -0.389 60.938 61.300 0.046 0.000 1.265 1445 I CB 0.302 38.326 38.000 0.040 0.000 1.387 1445 I HN 0.437 nan 8.210 nan 0.000 0.475 1446 D N 5.352 125.783 120.400 0.052 0.000 2.479 1446 D HA 0.073 4.713 4.640 -0.000 0.000 0.218 1446 D C 1.206 177.529 176.300 0.038 0.000 1.131 1446 D CA -0.184 53.840 54.000 0.041 0.000 0.916 1446 D CB 0.583 41.407 40.800 0.040 0.000 1.022 1446 D HN 0.707 nan 8.370 nan 0.000 0.515 1447 E N 3.237 123.454 120.200 0.028 0.000 2.181 1447 E HA -0.380 3.970 4.350 -0.000 0.000 0.225 1447 E C 0.910 177.516 176.600 0.011 0.000 1.073 1447 E CA 1.893 58.306 56.400 0.022 0.000 0.916 1447 E CB 0.130 29.837 29.700 0.012 0.000 0.793 1447 E HN 0.625 nan 8.360 nan 0.000 0.472 1448 E N -0.029 120.167 120.200 -0.006 0.000 2.020 1448 E HA -0.311 4.039 4.350 -0.000 0.000 0.229 1448 E C 2.225 178.782 176.600 -0.072 0.000 1.022 1448 E CA 2.127 58.505 56.400 -0.036 0.000 0.903 1448 E CB -0.530 29.147 29.700 -0.038 0.000 0.812 1448 E HN 0.487 nan 8.360 nan 0.000 0.529 1449 S N 1.556 117.208 115.700 -0.080 0.000 2.390 1449 S HA -0.254 4.216 4.470 -0.000 0.000 0.234 1449 S C 1.884 176.434 174.600 -0.084 0.000 1.063 1449 S CA 1.678 59.768 58.200 -0.182 0.000 1.108 1449 S CB -0.672 62.572 63.200 0.075 0.000 0.975 1449 S HN 0.263 nan 8.310 nan 0.000 0.442 1450 L N 1.075 122.368 121.223 0.117 0.000 2.834 1450 L HA 0.179 4.519 4.340 -0.000 0.000 0.252 1450 L C 1.222 178.151 176.870 0.098 0.000 1.152 1450 L CA 0.574 55.522 54.840 0.181 0.000 0.898 1450 L CB -0.265 41.864 42.059 0.117 0.000 1.078 1450 L HN 0.257 nan 8.230 nan 0.000 0.439 1451 V N -2.120 117.800 119.914 0.010 0.000 3.141 1451 V HA 0.006 4.125 4.120 -0.000 0.000 0.225 1451 V C 1.830 177.894 176.094 -0.049 0.000 1.352 1451 V CA 0.183 62.480 62.300 -0.005 0.000 1.316 1451 V CB 0.258 32.068 31.823 -0.021 0.000 1.126 1451 V HN 0.270 nan 8.190 nan 0.000 0.493 1452 K N 0.071 120.366 120.400 -0.175 0.000 2.585 1452 K HA -0.046 4.274 4.320 -0.000 0.000 0.194 1452 K C -0.412 176.056 176.600 -0.220 0.000 1.037 1452 K CA 0.923 57.069 56.287 -0.235 0.000 0.964 1452 K CB -0.189 32.101 32.500 -0.350 0.000 0.787 1452 K HN 0.521 nan 8.250 nan 0.000 0.488 1453 Y N 1.747 122.049 120.300 0.004 0.000 2.721 1453 Y HA 0.267 4.817 4.550 -0.000 0.000 0.328 1453 Y C -0.372 175.531 175.900 0.006 0.000 1.003 1453 Y CA -1.121 56.982 58.100 0.005 0.000 1.275 1453 Y CB 0.372 38.836 38.460 0.007 0.000 1.097 1453 Y HN -0.003 nan 8.280 nan 0.000 0.514 1454 M N 2.086 121.767 119.600 0.134 0.000 2.581 1454 M HA 0.259 4.739 4.480 -0.000 0.000 0.154 1454 M C -3.275 173.053 176.300 0.047 0.000 0.870 1454 M CA -1.145 54.203 55.300 0.080 0.000 0.692 1454 M CB -0.455 32.185 32.600 0.068 0.000 2.653 1454 M HN 0.189 nan 8.290 nan 0.000 0.370 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.115 63.100 0.025 0.000 0.800 1455 P CB 0.000 31.714 31.700 0.024 0.000 0.726