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 3hou_1_M DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSXXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVRXXXXXXX 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 0.000 176.088 176.094 -0.009 0.000 1.182 2 V CA 0.000 62.294 62.300 -0.011 0.000 1.235 2 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 3 G N 1.879 110.672 108.800 -0.012 0.000 2.134 3 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.209 3 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.209 3 G C 0.114 175.009 174.900 -0.009 0.000 0.993 3 G CA 0.595 45.687 45.100 -0.013 0.000 0.669 3 G HN 1.328 nan 8.290 nan 0.000 0.519 4 Q N -0.996 118.800 119.800 -0.006 0.000 2.620 4 Q HA -0.121 4.219 4.340 -0.000 0.000 0.367 4 Q C 0.451 176.461 176.000 0.015 0.000 1.775 4 Q CA 1.693 57.497 55.803 0.002 0.000 0.694 4 Q CB -0.042 28.692 28.738 -0.008 0.000 1.422 4 Q HN 1.240 nan 8.270 nan 0.000 0.594 5 Q N -1.415 118.404 119.800 0.031 0.000 3.242 5 Q HA -0.210 4.130 4.340 -0.000 0.000 0.024 5 Q C -1.525 174.541 176.000 0.110 0.000 1.714 5 Q CA 0.130 55.969 55.803 0.059 0.000 0.238 5 Q CB -0.198 28.561 28.738 0.035 0.000 0.593 5 Q HN 0.514 nan 8.270 nan 0.000 0.322 6 Y N 2.325 122.619 120.300 -0.010 0.000 2.397 6 Y HA 0.481 5.030 4.550 -0.000 0.000 0.335 6 Y C -0.280 175.617 175.900 -0.004 0.000 1.213 6 Y CA 0.691 58.787 58.100 -0.007 0.000 1.391 6 Y CB 1.541 39.998 38.460 -0.005 0.000 1.293 6 Y HN 0.402 nan 8.280 nan 0.000 0.557 7 S N 2.669 117.959 115.700 -0.684 0.000 2.614 7 S HA 0.307 4.777 4.470 -0.000 0.000 0.288 7 S C 0.348 174.361 174.600 -0.978 0.000 1.137 7 S CA -0.169 57.648 58.200 -0.638 0.000 0.992 7 S CB 0.777 63.818 63.200 -0.265 0.000 1.026 7 S HN 0.843 nan 8.310 nan 0.000 0.486 8 S N 3.578 118.842 115.700 -0.726 0.000 2.515 8 S HA 0.212 4.682 4.470 -0.000 0.000 0.231 8 S C 0.896 175.373 174.600 -0.204 0.000 0.987 8 S CA 0.289 58.227 58.200 -0.437 0.000 0.936 8 S CB -0.381 62.697 63.200 -0.204 0.000 0.766 8 S HN 1.057 nan 8.310 nan 0.000 0.528 9 A N 3.850 126.558 122.820 -0.187 0.000 2.520 9 A HA 0.471 4.791 4.320 -0.000 0.000 0.245 9 A C -1.707 175.839 177.584 -0.064 0.000 1.072 9 A CA -1.266 50.712 52.037 -0.097 0.000 0.761 9 A CB -0.468 18.483 19.000 -0.081 0.000 1.004 9 A HN 0.443 nan 8.150 nan 0.000 0.499 10 P HA 0.102 nan 4.420 nan 0.000 0.264 10 P C -0.578 176.713 177.300 -0.014 0.000 1.183 10 P CA 0.162 63.254 63.100 -0.012 0.000 0.763 10 P CB 0.479 32.176 31.700 -0.006 0.000 0.807 11 L N 4.033 125.254 121.223 -0.004 0.000 2.287 11 L HA 0.478 4.817 4.340 -0.000 0.000 0.287 11 L C -0.043 176.824 176.870 -0.005 0.000 1.022 11 L CA -0.488 54.349 54.840 -0.005 0.000 0.814 11 L CB 0.753 42.813 42.059 0.003 0.000 1.217 11 L HN 0.354 nan 8.230 nan 0.000 0.420 12 R N 1.970 122.463 120.500 -0.011 0.000 2.950 12 R HA 0.653 4.993 4.340 -0.000 0.000 0.253 12 R C -0.740 175.549 176.300 -0.018 0.000 1.168 12 R CA -0.654 55.439 56.100 -0.012 0.000 1.014 12 R CB 1.916 32.208 30.300 -0.013 0.000 1.228 12 R HN 0.701 nan 8.270 nan 0.000 0.487 13 T N -1.983 112.559 114.554 -0.020 0.000 2.952 13 T HA 0.433 4.783 4.350 -0.000 0.000 0.286 13 T C 0.073 174.754 174.700 -0.032 0.000 1.024 13 T CA -0.786 61.298 62.100 -0.025 0.000 1.029 13 T CB 1.444 70.297 68.868 -0.025 0.000 1.094 13 T HN 0.121 nan 8.240 nan 0.000 0.515 14 V N 3.256 123.147 119.914 -0.039 0.000 2.508 14 V HA 0.195 4.315 4.120 -0.000 0.000 0.281 14 V C 1.029 177.092 176.094 -0.051 0.000 1.041 14 V CA -0.245 62.024 62.300 -0.052 0.000 1.016 14 V CB 0.794 32.581 31.823 -0.061 0.000 0.984 14 V HN 0.849 nan 8.190 nan 0.000 0.478 15 K N 3.207 123.575 120.400 -0.054 0.000 2.287 15 K HA 0.282 4.602 4.320 -0.000 0.000 0.199 15 K C 0.337 176.900 176.600 -0.061 0.000 1.061 15 K CA 0.581 56.839 56.287 -0.048 0.000 0.976 15 K CB 0.662 33.139 32.500 -0.038 0.000 0.898 15 K HN 0.756 nan 8.250 nan 0.000 0.492 16 E N 0.231 120.379 120.200 -0.087 0.000 2.429 16 E HA 0.431 4.781 4.350 -0.000 0.000 0.276 16 E C -1.267 175.223 176.600 -0.183 0.000 0.953 16 E CA -0.875 55.455 56.400 -0.116 0.000 0.787 16 E CB 2.845 32.479 29.700 -0.111 0.000 1.307 16 E HN -0.299 nan 8.360 nan 0.000 0.458 17 V N 1.947 121.708 119.914 -0.256 0.000 2.409 17 V HA 0.202 4.322 4.120 -0.000 0.000 0.290 17 V C -0.630 175.101 176.094 -0.605 0.000 1.017 17 V CA -0.873 61.154 62.300 -0.455 0.000 0.841 17 V CB 1.429 32.944 31.823 -0.512 0.000 1.003 17 V HN 0.546 nan 8.190 nan 0.000 0.426 18 Q N 3.930 123.371 119.800 -0.598 0.000 2.377 18 Q HA 0.472 4.812 4.340 -0.000 0.000 0.249 18 Q C -0.860 174.740 176.000 -0.666 0.000 1.005 18 Q CA -0.029 55.408 55.803 -0.610 0.000 0.912 18 Q CB 0.909 29.224 28.738 -0.706 0.000 1.223 18 Q HN 0.617 nan 8.270 nan 0.000 0.459 19 F N 0.454 120.245 119.950 -0.266 0.000 2.371 19 F HA 0.679 5.206 4.527 -0.000 0.000 0.329 19 F C 1.299 176.975 175.800 -0.206 0.000 1.107 19 F CA 0.229 58.109 58.000 -0.200 0.000 1.137 19 F CB 1.650 40.577 39.000 -0.122 0.000 1.214 19 F HN 0.552 nan 8.300 nan 0.000 0.536 20 G N 1.115 109.959 108.800 0.073 0.000 2.490 20 G HA2 0.567 4.527 3.960 -0.000 0.000 0.308 20 G HA3 0.567 4.527 3.960 -0.000 0.000 0.308 20 G C -2.084 172.845 174.900 0.048 0.000 1.286 20 G CA -0.961 44.171 45.100 0.054 0.000 0.825 20 G HN 0.517 nan 8.290 nan 0.000 0.479 21 L N -0.359 120.920 121.223 0.092 0.000 2.341 21 L HA 0.598 4.938 4.340 -0.000 0.000 0.267 21 L C -0.869 175.953 176.870 -0.080 0.000 1.009 21 L CA -0.817 54.084 54.840 0.102 0.000 0.819 21 L CB 2.435 44.630 42.059 0.226 0.000 1.323 21 L HN 0.446 nan 8.230 nan 0.000 0.425 22 F N 0.848 120.730 119.950 -0.113 0.000 2.438 22 F HA 0.181 4.708 4.527 -0.000 0.000 0.356 22 F C 0.920 176.283 175.800 -0.728 0.000 1.099 22 F CA -0.172 57.630 58.000 -0.331 0.000 1.185 22 F CB 1.509 40.406 39.000 -0.173 0.000 1.115 22 F HN 0.485 nan 8.300 nan 0.000 0.526 23 S N 5.306 120.454 115.700 -0.919 0.000 2.537 23 S HA 0.245 4.715 4.470 -0.000 0.000 0.275 23 S C -1.651 172.707 174.600 -0.404 0.000 1.272 23 S CA -1.328 56.038 58.200 -1.390 0.000 1.050 23 S CB 1.385 63.864 63.200 -1.201 0.000 0.961 23 S HN 0.476 nan 8.310 nan 0.000 0.496 24 P HA -0.162 nan 4.420 nan 0.000 0.218 24 P C 0.745 178.030 177.300 -0.025 0.000 1.146 24 P CA 1.285 64.366 63.100 -0.030 0.000 0.813 24 P CB 0.154 31.895 31.700 0.068 0.000 0.778 25 E N 0.440 120.626 120.200 -0.024 0.000 2.031 25 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 25 E C 2.236 178.820 176.600 -0.027 0.000 0.994 25 E CA 1.307 57.707 56.400 -0.000 0.000 0.800 25 E CB -0.818 28.904 29.700 0.036 0.000 0.752 25 E HN 0.425 nan 8.360 nan 0.000 0.447 26 E N 0.361 120.539 120.200 -0.036 0.000 2.051 26 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 26 E C 1.984 178.572 176.600 -0.020 0.000 0.991 26 E CA 1.452 57.867 56.400 0.024 0.000 0.799 26 E CB 0.023 29.790 29.700 0.112 0.000 0.748 26 E HN 0.059 nan 8.360 nan 0.000 0.449 27 V N 1.041 120.886 119.914 -0.115 0.000 2.317 27 V HA -0.322 3.798 4.120 -0.000 0.000 0.251 27 V C 2.605 178.566 176.094 -0.222 0.000 1.065 27 V CA 2.396 64.499 62.300 -0.327 0.000 1.049 27 V CB -0.647 30.981 31.823 -0.325 0.000 0.651 27 V HN 0.295 nan 8.190 nan 0.000 0.450 28 R N -0.342 120.060 120.500 -0.164 0.000 2.092 28 R HA -0.089 4.251 4.340 -0.000 0.000 0.231 28 R C 2.331 178.495 176.300 -0.227 0.000 1.119 28 R CA 1.342 57.279 56.100 -0.271 0.000 0.970 28 R CB -0.428 29.805 30.300 -0.111 0.000 0.864 28 R HN 0.524 nan 8.270 nan 0.000 0.440 29 A N 1.025 123.776 122.820 -0.115 0.000 1.858 29 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 29 A C 2.127 179.673 177.584 -0.064 0.000 1.190 29 A CA 1.485 53.482 52.037 -0.067 0.000 0.617 29 A CB -0.602 18.385 19.000 -0.021 0.000 0.827 29 A HN 0.327 nan 8.150 nan 0.000 0.443 30 I N -0.113 120.425 120.570 -0.052 0.000 2.208 30 I HA -0.157 4.013 4.170 -0.000 0.000 0.245 30 I C 1.487 177.592 176.117 -0.020 0.000 1.097 30 I CA 0.776 62.066 61.300 -0.016 0.000 1.363 30 I CB -0.357 37.635 38.000 -0.014 0.000 1.051 30 I HN 0.299 nan 8.210 nan 0.000 0.413 31 S N 0.553 116.200 115.700 -0.089 0.000 2.702 31 S HA -0.044 4.426 4.470 -0.000 0.000 0.314 31 S C 0.986 175.555 174.600 -0.052 0.000 1.244 31 S CA 0.154 58.305 58.200 -0.082 0.000 1.058 31 S CB 0.714 63.718 63.200 -0.327 0.000 0.783 31 S HN 0.274 nan 8.310 nan 0.000 0.503 32 V N 2.719 122.639 119.914 0.010 0.000 3.621 32 V HA 0.732 4.852 4.120 -0.000 0.000 0.285 32 V C 0.379 176.478 176.094 0.008 0.000 1.346 32 V CA 0.559 62.849 62.300 -0.017 0.000 1.104 32 V CB -0.700 31.089 31.823 -0.057 0.000 0.913 32 V HN 1.000 nan 8.190 nan 0.000 0.432 33 A N 0.263 123.119 122.820 0.059 0.000 2.547 33 A HA 0.683 5.003 4.320 -0.000 0.000 0.297 33 A C 0.596 178.305 177.584 0.207 0.000 1.056 33 A CA -0.539 51.552 52.037 0.091 0.000 0.688 33 A CB 1.469 20.505 19.000 0.059 0.000 1.282 33 A HN 0.002 nan 8.150 nan 0.000 0.400 34 K N 1.340 121.845 120.400 0.174 0.000 2.001 34 K HA 0.099 4.419 4.320 -0.000 0.000 0.208 34 K C 0.410 177.043 176.600 0.054 0.000 1.048 34 K CA 1.397 57.791 56.287 0.177 0.000 0.932 34 K CB -0.515 32.062 32.500 0.129 0.000 0.715 34 K HN 1.068 nan 8.250 nan 0.000 0.437 35 I N 1.431 122.047 120.570 0.076 0.000 7.450 35 I HA -0.281 3.889 4.170 -0.000 0.000 0.126 35 I C 0.586 176.750 176.117 0.078 0.000 1.839 35 I CA 0.134 61.476 61.300 0.070 0.000 2.040 35 I CB -0.458 37.559 38.000 0.029 0.000 3.653 35 I HN 0.268 nan 8.210 nan 0.000 0.170 36 R N 2.813 123.459 120.500 0.243 0.000 2.310 36 R HA 0.292 4.632 4.340 -0.000 0.000 0.199 36 R C -0.066 176.287 176.300 0.089 0.000 0.891 36 R CA 0.362 56.548 56.100 0.143 0.000 1.060 36 R CB 0.345 30.696 30.300 0.085 0.000 1.188 36 R HN 0.259 nan 8.270 nan 0.000 0.607 37 F N 2.645 122.579 119.950 -0.028 0.000 2.404 37 F HA 0.302 4.829 4.527 -0.000 0.000 0.345 37 F C -1.409 174.381 175.800 -0.018 0.000 1.110 37 F CA -3.277 54.712 58.000 -0.020 0.000 1.130 37 F CB 0.674 39.666 39.000 -0.014 0.000 1.129 37 F HN -0.143 nan 8.300 nan 0.000 0.500 38 P HA -0.012 nan 4.420 nan 0.000 0.245 38 P C -0.258 177.096 177.300 0.089 0.000 1.212 38 P CA 0.425 63.573 63.100 0.079 0.000 0.774 38 P CB 0.264 31.983 31.700 0.032 0.000 0.999 39 E N -0.256 120.018 120.200 0.124 0.000 2.390 39 E HA 0.101 4.451 4.350 -0.000 0.000 0.261 39 E C 1.413 178.054 176.600 0.068 0.000 1.076 39 E CA 0.365 56.820 56.400 0.090 0.000 0.905 39 E CB 0.109 29.866 29.700 0.096 0.000 0.984 39 E HN -0.056 nan 8.360 nan 0.000 0.427 40 T N 1.523 116.114 114.554 0.062 0.000 2.668 40 T HA -0.050 4.300 4.350 -0.000 0.000 0.258 40 T C 0.826 175.536 174.700 0.016 0.000 1.051 40 T CA 2.045 64.174 62.100 0.049 0.000 1.155 40 T CB -0.053 68.853 68.868 0.063 0.000 0.864 40 T HN 0.606 nan 8.240 nan 0.000 0.413 41 M N -1.413 118.195 119.600 0.014 0.000 1.440 41 M HA 0.383 4.863 4.480 -0.000 0.000 0.568 41 M C -1.430 174.865 176.300 -0.008 0.000 2.224 41 M CA -0.600 54.694 55.300 -0.011 0.000 0.526 41 M CB -0.103 32.487 32.600 -0.016 0.000 4.341 41 M HN -0.325 nan 8.290 nan 0.000 0.755 42 D N 3.672 124.069 120.400 -0.005 0.000 3.284 42 D HA -0.111 4.529 4.640 -0.000 0.000 0.205 42 D C -0.678 175.617 176.300 -0.008 0.000 1.175 42 D CA 1.233 55.232 54.000 -0.002 0.000 0.970 42 D CB -0.180 40.626 40.800 0.010 0.000 0.803 42 D HN 0.683 nan 8.370 nan 0.000 0.386 43 E N 0.411 120.598 120.200 -0.021 0.000 2.030 43 E HA 0.043 4.392 4.350 -0.000 0.000 0.267 43 E C -0.003 176.591 176.600 -0.011 0.000 1.172 43 E CA 0.142 56.525 56.400 -0.029 0.000 1.080 43 E CB -0.663 29.014 29.700 -0.038 0.000 1.080 43 E HN 0.316 nan 8.360 nan 0.000 0.446 44 T N 1.842 116.396 114.554 0.001 0.000 4.223 44 T HA -0.251 4.099 4.350 -0.000 0.000 0.347 44 T C 0.457 175.163 174.700 0.009 0.000 0.755 44 T CA 0.824 62.931 62.100 0.011 0.000 1.967 44 T CB -1.830 67.045 68.868 0.011 0.000 1.861 44 T HN 0.797 nan 8.240 nan 0.000 0.898 45 Q N -2.864 116.942 119.800 0.009 0.000 2.402 45 Q HA -0.155 4.185 4.340 -0.000 0.000 0.156 45 Q C -0.112 175.892 176.000 0.006 0.000 0.563 45 Q CA 1.571 57.380 55.803 0.009 0.000 1.312 45 Q CB -1.829 26.915 28.738 0.010 0.000 1.149 45 Q HN 0.759 nan 8.270 nan 0.000 1.029 46 T N 2.135 116.690 114.554 0.001 0.000 2.752 46 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 46 T C 0.148 174.846 174.700 -0.004 0.000 0.923 46 T CA -0.349 61.749 62.100 -0.002 0.000 1.112 46 T CB 0.563 69.427 68.868 -0.006 0.000 0.884 46 T HN 0.110 nan 8.240 nan 0.000 0.525 47 R N 2.417 122.916 120.500 -0.001 0.000 2.561 47 R HA 0.339 4.679 4.340 -0.000 0.000 0.347 47 R C 0.529 176.823 176.300 -0.010 0.000 0.916 47 R CA 0.068 56.166 56.100 -0.003 0.000 1.063 47 R CB -0.266 30.034 30.300 0.000 0.000 0.916 47 R HN 0.860 nan 8.270 nan 0.000 0.410 48 A N 3.216 126.027 122.820 -0.014 0.000 5.993 48 A HA 0.447 4.767 4.320 -0.000 0.000 0.146 48 A C -1.383 176.185 177.584 -0.027 0.000 0.931 48 A CA -0.777 51.247 52.037 -0.022 0.000 1.254 48 A CB 0.999 19.984 19.000 -0.026 0.000 2.393 48 A HN 0.460 nan 8.150 nan 0.000 1.132 49 K N 0.215 120.591 120.400 -0.039 0.000 2.525 49 K HA 0.625 4.945 4.320 -0.000 0.000 0.254 49 K C -1.469 175.083 176.600 -0.080 0.000 0.934 49 K CA -0.356 55.902 56.287 -0.049 0.000 0.802 49 K CB 2.385 34.858 32.500 -0.045 0.000 1.295 49 K HN 0.524 nan 8.250 nan 0.000 0.433 50 I N 1.279 121.787 120.570 -0.103 0.000 2.519 50 I HA 0.055 4.225 4.170 -0.000 0.000 0.287 50 I C 1.487 177.457 176.117 -0.243 0.000 1.047 50 I CA 0.102 61.287 61.300 -0.192 0.000 1.381 50 I CB 1.204 39.068 38.000 -0.226 0.000 1.417 50 I HN 0.941 nan 8.210 nan 0.000 0.540 51 G N 4.137 112.747 108.800 -0.318 0.000 3.194 51 G HA2 0.020 3.980 3.960 -0.000 0.000 0.208 51 G HA3 0.020 3.980 3.960 -0.000 0.000 0.208 51 G C 0.903 175.602 174.900 -0.335 0.000 1.240 51 G CA 0.610 45.546 45.100 -0.273 0.000 1.044 51 G HN 0.937 nan 8.290 nan 0.000 0.495 52 G N -0.503 108.087 108.800 -0.349 0.000 2.710 52 G HA2 0.407 4.367 3.960 -0.000 0.000 0.215 52 G HA3 0.407 4.367 3.960 -0.000 0.000 0.215 52 G C 0.487 175.400 174.900 0.022 0.000 1.345 52 G CA -0.146 44.880 45.100 -0.124 0.000 0.812 52 G HN 0.361 nan 8.290 nan 0.000 0.606 53 L N 0.279 121.508 121.223 0.011 0.000 2.585 53 L HA 0.372 4.712 4.340 -0.000 0.000 0.260 53 L C -0.058 176.805 176.870 -0.011 0.000 1.085 53 L CA -0.806 54.044 54.840 0.017 0.000 0.913 53 L CB 1.039 43.119 42.059 0.034 0.000 1.638 53 L HN 0.523 nan 8.230 nan 0.000 0.531 54 N N 1.207 119.899 118.700 -0.014 0.000 1.552 54 N HA -0.242 4.498 4.740 -0.000 0.000 0.350 54 N C -0.640 174.851 175.510 -0.032 0.000 1.219 54 N CA 1.281 54.315 53.050 -0.028 0.000 0.832 54 N CB -0.655 37.812 38.487 -0.033 0.000 1.073 54 N HN 0.666 nan 8.380 nan 0.000 0.518 55 D N 0.187 120.569 120.400 -0.029 0.000 2.922 55 D HA -0.079 4.561 4.640 -0.000 0.000 0.252 55 D C -2.357 173.921 176.300 -0.036 0.000 1.070 55 D CA 0.290 54.274 54.000 -0.026 0.000 0.813 55 D CB -0.387 40.398 40.800 -0.025 0.000 1.046 55 D HN 0.590 nan 8.370 nan 0.000 0.429 56 P HA 0.320 nan 4.420 nan 0.000 0.258 56 P C -0.020 177.263 177.300 -0.027 0.000 1.416 56 P CA 0.089 63.162 63.100 -0.046 0.000 0.927 56 P CB 0.433 32.114 31.700 -0.032 0.000 1.444 57 R N -4.028 116.459 120.500 -0.021 0.000 1.678 57 R HA -0.009 4.331 4.340 -0.000 0.000 0.399 57 R C 0.442 176.744 176.300 0.003 0.000 0.252 57 R CA -0.069 56.019 56.100 -0.020 0.000 1.391 57 R CB -1.610 28.670 30.300 -0.033 0.000 1.891 57 R HN 0.122 nan 8.270 nan 0.000 0.241 58 L N -0.025 121.212 121.223 0.024 0.000 2.603 58 L HA 0.331 4.671 4.340 -0.000 0.000 0.173 58 L C 1.962 178.893 176.870 0.101 0.000 1.087 58 L CA 0.390 55.273 54.840 0.071 0.000 1.011 58 L CB -0.432 41.629 42.059 0.003 0.000 1.695 58 L HN 0.136 nan 8.230 nan 0.000 0.494 59 G N -1.017 107.818 108.800 0.058 0.000 2.379 59 G HA2 0.204 4.164 3.960 -0.000 0.000 0.287 59 G HA3 0.204 4.164 3.960 -0.000 0.000 0.287 59 G C -0.134 174.771 174.900 0.009 0.000 1.422 59 G CA 0.087 45.206 45.100 0.031 0.000 1.081 59 G HN 0.510 nan 8.290 nan 0.000 0.569 60 S N -2.591 113.101 115.700 -0.014 0.000 2.810 60 S HA 0.759 5.229 4.470 -0.000 0.000 0.315 60 S C 0.229 174.808 174.600 -0.035 0.000 1.138 60 S CA -0.796 57.392 58.200 -0.019 0.000 0.889 60 S CB 1.142 64.335 63.200 -0.012 0.000 1.236 60 S HN 0.414 nan 8.310 nan 0.000 0.548 61 I N -0.321 120.229 120.570 -0.034 0.000 3.420 61 I HA 0.335 4.505 4.170 -0.000 0.000 0.154 61 I C -0.462 175.634 176.117 -0.036 0.000 0.455 61 I CA -0.763 60.512 61.300 -0.041 0.000 2.981 61 I CB -0.148 37.827 38.000 -0.041 0.000 1.407 61 I HN 0.572 nan 8.210 nan 0.000 0.504 62 D N 3.428 123.807 120.400 -0.035 0.000 5.453 62 D HA -0.199 4.441 4.640 -0.000 0.000 0.184 62 D C -0.037 176.248 176.300 -0.026 0.000 1.232 62 D CA 0.529 54.511 54.000 -0.030 0.000 0.735 62 D CB -0.359 40.426 40.800 -0.024 0.000 1.253 62 D HN 0.272 nan 8.370 nan 0.000 0.654 63 R N 1.245 121.727 120.500 -0.029 0.000 1.545 63 R HA -0.230 4.110 4.340 -0.000 0.000 0.183 63 R C -0.354 175.935 176.300 -0.019 0.000 0.533 63 R CA 0.342 56.427 56.100 -0.025 0.000 0.364 63 R CB -1.015 29.270 30.300 -0.024 0.000 1.620 63 R HN 0.247 nan 8.270 nan 0.000 0.571 64 N N 1.011 119.700 118.700 -0.018 0.000 2.577 64 N HA 0.179 4.919 4.740 -0.000 0.000 0.275 64 N C 0.887 176.391 175.510 -0.010 0.000 1.091 64 N CA -0.457 52.584 53.050 -0.014 0.000 0.843 64 N CB 1.034 39.511 38.487 -0.015 0.000 1.295 64 N HN 0.151 nan 8.380 nan 0.000 0.530 65 L N 0.156 121.374 121.223 -0.008 0.000 2.151 65 L HA -0.275 4.065 4.340 -0.000 0.000 0.219 65 L C 1.374 178.244 176.870 0.000 0.000 1.083 65 L CA 1.396 56.234 54.840 -0.003 0.000 0.782 65 L CB -0.351 41.706 42.059 -0.003 0.000 0.891 65 L HN 0.468 nan 8.230 nan 0.000 0.439 66 K N 0.222 120.620 120.400 -0.004 0.000 2.604 66 K HA -0.205 4.115 4.320 -0.000 0.000 0.278 66 K C -0.149 176.454 176.600 0.004 0.000 0.975 66 K CA 1.071 57.356 56.287 -0.004 0.000 1.066 66 K CB 0.175 32.669 32.500 -0.010 0.000 0.840 66 K HN 0.390 nan 8.250 nan 0.000 0.491 67 C N 4.637 123.940 119.300 0.005 0.000 2.158 67 C HA 0.042 4.502 4.460 -0.000 0.000 0.324 67 C C -1.224 173.763 174.990 -0.004 0.000 0.779 67 C CA 0.155 59.187 59.018 0.022 0.000 0.553 67 C CB -1.742 26.032 27.740 0.056 0.000 1.373 67 C HN 1.026 nan 8.230 nan 0.000 0.782 68 Q N 1.231 121.015 119.800 -0.026 0.000 2.434 68 Q HA -0.193 4.147 4.340 -0.000 0.000 0.366 68 Q C 0.795 176.766 176.000 -0.049 0.000 1.398 68 Q CA 1.789 57.562 55.803 -0.051 0.000 1.074 68 Q CB -2.389 26.294 28.738 -0.091 0.000 1.236 68 Q HN 1.409 nan 8.270 nan 0.000 0.329 69 T N -2.278 112.260 114.554 -0.027 0.000 12.053 69 T HA -0.509 3.841 4.350 -0.000 0.000 0.419 69 T C 1.723 176.419 174.700 -0.007 0.000 1.444 69 T CA 3.036 65.126 62.100 -0.018 0.000 2.397 69 T CB -2.017 66.838 68.868 -0.022 0.000 2.865 69 T HN 1.337 nan 8.240 nan 0.000 0.878 70 C N 3.481 122.775 119.300 -0.009 0.000 2.395 70 C HA -0.343 4.116 4.460 -0.000 0.000 0.266 70 C C 2.014 177.022 174.990 0.031 0.000 1.092 70 C CA 2.924 61.958 59.018 0.025 0.000 1.876 70 C CB -1.594 26.194 27.740 0.080 0.000 2.223 70 C HN 0.819 nan 8.230 nan 0.000 0.452 71 Q N -1.783 118.031 119.800 0.024 0.000 2.015 71 Q HA -0.338 4.002 4.340 -0.000 0.000 0.393 71 Q C 1.081 177.093 176.000 0.019 0.000 0.701 71 Q CA 2.498 58.311 55.803 0.016 0.000 0.921 71 Q CB -1.512 27.230 28.738 0.008 0.000 2.909 71 Q HN 0.822 nan 8.270 nan 0.000 0.814 72 E N -1.314 118.893 120.200 0.012 0.000 5.016 72 E HA -0.292 4.058 4.350 -0.000 0.000 0.207 72 E C 0.752 177.353 176.600 0.002 0.000 0.988 72 E CA 3.024 59.429 56.400 0.008 0.000 1.638 72 E CB -1.672 28.035 29.700 0.012 0.000 1.784 72 E HN 1.385 nan 8.360 nan 0.000 0.368 73 G N -0.242 108.559 108.800 0.002 0.000 2.716 73 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.686 73 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.686 73 G C 0.891 175.783 174.900 -0.013 0.000 1.337 73 G CA 0.344 45.441 45.100 -0.006 0.000 0.829 73 G HN 0.088 nan 8.290 nan 0.000 0.599 74 M N 0.432 120.020 119.600 -0.020 0.000 2.152 74 M HA -0.206 4.274 4.480 -0.000 0.000 0.251 74 M C 1.606 177.886 176.300 -0.034 0.000 1.080 74 M CA 2.268 57.550 55.300 -0.031 0.000 1.079 74 M CB -0.291 32.288 32.600 -0.035 0.000 1.317 74 M HN 0.655 nan 8.290 nan 0.000 0.404 75 N N 0.326 119.009 118.700 -0.028 0.000 2.602 75 N HA 0.055 4.795 4.740 -0.000 0.000 0.238 75 N C 0.059 175.555 175.510 -0.024 0.000 1.084 75 N CA 0.528 53.561 53.050 -0.028 0.000 0.952 75 N CB 0.856 39.328 38.487 -0.026 0.000 1.244 75 N HN 0.318 nan 8.380 nan 0.000 0.512 76 E N 1.628 121.812 120.200 -0.028 0.000 1.215 76 E HA -0.119 4.231 4.350 -0.000 0.000 0.209 76 E C -1.071 175.511 176.600 -0.031 0.000 0.995 76 E CA -0.122 56.265 56.400 -0.023 0.000 1.030 76 E CB -1.061 28.631 29.700 -0.013 0.000 4.809 76 E HN 0.398 nan 8.360 nan 0.000 0.618 77 C N 5.308 124.586 119.300 -0.036 0.000 2.520 77 C HA 0.562 5.022 4.460 -0.000 0.000 0.369 77 C C -1.643 173.270 174.990 -0.128 0.000 1.244 77 C CA -1.217 57.765 59.018 -0.061 0.000 1.677 77 C CB -0.469 27.252 27.740 -0.032 0.000 2.324 77 C HN 0.339 nan 8.230 nan 0.000 0.557 78 P HA 0.307 nan 4.420 nan 0.000 0.277 78 P C 0.354 177.465 177.300 -0.316 0.000 1.276 78 P CA 0.134 63.130 63.100 -0.174 0.000 0.788 78 P CB 0.493 32.119 31.700 -0.124 0.000 1.114 79 G N -0.817 107.831 108.800 -0.252 0.000 2.683 79 G HA2 0.213 4.173 3.960 -0.000 0.000 0.260 79 G HA3 0.213 4.173 3.960 -0.000 0.000 0.260 79 G C -0.596 174.027 174.900 -0.461 0.000 1.238 79 G CA -0.129 44.781 45.100 -0.316 0.000 0.934 79 G HN 0.592 nan 8.290 nan 0.000 0.534 80 H N -0.703 118.309 119.070 -0.097 0.000 2.744 80 H HA 0.302 4.858 4.556 -0.000 0.000 0.339 80 H C -0.752 174.535 175.328 -0.069 0.000 1.004 80 H CA -0.753 55.288 56.048 -0.012 0.000 1.257 80 H CB 1.236 30.995 29.762 -0.005 0.000 1.552 80 H HN 0.255 nan 8.280 nan 0.000 0.522 81 F N 0.953 120.973 119.950 0.117 0.000 2.444 81 F HA 0.412 4.939 4.527 -0.000 0.000 0.331 81 F C 1.463 177.289 175.800 0.043 0.000 1.167 81 F CA 0.879 58.910 58.000 0.052 0.000 1.262 81 F CB 0.967 39.968 39.000 0.002 0.000 1.196 81 F HN 0.563 nan 8.300 nan 0.000 0.583 82 G N -0.199 108.723 108.800 0.203 0.000 3.176 82 G HA2 0.658 4.618 3.960 -0.000 0.000 0.272 82 G HA3 0.658 4.618 3.960 -0.000 0.000 0.272 82 G C -1.731 173.328 174.900 0.264 0.000 1.349 82 G CA -0.643 44.566 45.100 0.182 0.000 0.953 82 G HN 0.859 nan 8.290 nan 0.000 0.559 83 H N -2.968 116.125 119.070 0.037 0.000 2.933 83 H HA 0.769 5.325 4.556 -0.000 0.000 0.310 83 H C -1.671 173.664 175.328 0.011 0.000 1.351 83 H CA -1.170 54.889 56.048 0.019 0.000 1.137 83 H CB 1.939 31.698 29.762 -0.005 0.000 1.853 83 H HN 0.456 nan 8.280 nan 0.000 0.539 84 I N 1.728 122.168 120.570 -0.216 0.000 2.571 84 I HA 0.109 4.279 4.170 -0.000 0.000 0.286 84 I C -1.298 174.701 176.117 -0.197 0.000 1.134 84 I CA -0.724 60.422 61.300 -0.256 0.000 1.052 84 I CB 1.987 39.918 38.000 -0.116 0.000 1.237 84 I HN 0.595 nan 8.210 nan 0.000 0.435 85 D N 8.085 128.345 120.400 -0.234 0.000 2.338 85 D HA 0.289 4.929 4.640 -0.000 0.000 0.255 85 D C 0.195 176.461 176.300 -0.057 0.000 1.237 85 D CA -0.017 53.930 54.000 -0.089 0.000 0.883 85 D CB 1.405 42.165 40.800 -0.066 0.000 1.087 85 D HN 0.296 nan 8.370 nan 0.000 0.485 86 L N 1.202 122.413 121.223 -0.020 0.000 2.476 86 L HA 0.139 4.479 4.340 -0.000 0.000 0.255 86 L C 1.799 178.664 176.870 -0.008 0.000 1.218 86 L CA -0.494 54.338 54.840 -0.012 0.000 0.819 86 L CB 0.438 42.502 42.059 0.008 0.000 1.119 86 L HN 0.386 nan 8.230 nan 0.000 0.485 87 A N 1.234 124.049 122.820 -0.008 0.000 1.930 87 A HA 0.057 4.377 4.320 -0.000 0.000 0.215 87 A C 0.697 178.284 177.584 0.005 0.000 1.176 87 A CA 1.103 53.137 52.037 -0.004 0.000 0.632 87 A CB 0.089 19.085 19.000 -0.006 0.000 0.819 87 A HN 0.726 nan 8.150 nan 0.000 0.445 88 K N -0.430 119.972 120.400 0.004 0.000 2.542 88 K HA 0.362 4.682 4.320 -0.000 0.000 0.259 88 K C -3.140 173.462 176.600 0.003 0.000 0.932 88 K CA -2.204 54.086 56.287 0.004 0.000 0.820 88 K CB 2.365 34.861 32.500 -0.006 0.000 1.345 88 K HN -0.053 nan 8.250 nan 0.000 0.432 89 P HA -0.051 nan 4.420 nan 0.000 0.263 89 P C -0.477 176.801 177.300 -0.037 0.000 1.175 89 P CA -0.079 63.039 63.100 0.031 0.000 0.761 89 P CB 0.443 32.182 31.700 0.065 0.000 0.794 90 V N 0.405 120.315 119.914 -0.008 0.000 2.962 90 V HA 0.530 4.650 4.120 -0.000 0.000 0.313 90 V C 0.087 176.220 176.094 0.065 0.000 1.099 90 V CA -1.146 61.103 62.300 -0.085 0.000 0.971 90 V CB 1.293 33.105 31.823 -0.017 0.000 1.028 90 V HN 0.151 nan 8.190 nan 0.000 0.430 91 F N 1.100 121.131 119.950 0.133 0.000 2.426 91 F HA 0.407 4.934 4.527 -0.000 0.000 0.309 91 F C 0.852 176.754 175.800 0.169 0.000 1.246 91 F CA -0.264 57.839 58.000 0.172 0.000 1.229 91 F CB -0.034 39.061 39.000 0.158 0.000 1.255 91 F HN 0.741 nan 8.300 nan 0.000 0.558 92 H N 1.382 120.646 119.070 0.324 0.000 2.623 92 H HA 0.280 4.836 4.556 -0.000 0.000 0.299 92 H C 0.854 176.165 175.328 -0.028 0.000 1.052 92 H CA -0.414 55.696 56.048 0.103 0.000 1.231 92 H CB 1.031 30.860 29.762 0.111 0.000 1.389 92 H HN 0.406 nan 8.280 nan 0.000 0.469 93 V N 3.970 123.874 119.914 -0.016 0.000 2.313 93 V HA -0.340 3.780 4.120 -0.000 0.000 0.261 93 V C 2.351 178.440 176.094 -0.008 0.000 1.096 93 V CA 2.317 64.623 62.300 0.010 0.000 1.090 93 V CB -1.217 30.583 31.823 -0.039 0.000 0.683 93 V HN 0.770 nan 8.190 nan 0.000 0.452 94 G N -1.922 106.798 108.800 -0.132 0.000 2.650 94 G HA2 0.022 3.982 3.960 -0.000 0.000 0.214 94 G HA3 0.022 3.982 3.960 -0.000 0.000 0.214 94 G C 1.273 175.912 174.900 -0.434 0.000 1.136 94 G CA 0.362 45.235 45.100 -0.378 0.000 0.789 94 G HN 0.580 nan 8.290 nan 0.000 0.536 95 F N -0.351 119.534 119.950 -0.109 0.000 2.694 95 F HA 0.306 4.833 4.527 -0.000 0.000 0.292 95 F C 2.277 178.010 175.800 -0.111 0.000 1.121 95 F CA -0.679 57.229 58.000 -0.152 0.000 1.352 95 F CB 0.194 39.072 39.000 -0.203 0.000 1.107 95 F HN -0.023 nan 8.300 nan 0.000 0.597 96 I N 1.082 121.699 120.570 0.077 0.000 2.178 96 I HA -0.502 3.668 4.170 -0.000 0.000 0.243 96 I C 2.752 178.844 176.117 -0.043 0.000 1.019 96 I CA 1.697 62.958 61.300 -0.064 0.000 1.294 96 I CB -0.686 37.318 38.000 0.006 0.000 0.996 96 I HN 0.202 nan 8.210 nan 0.000 0.415 97 A N 0.157 122.983 122.820 0.010 0.000 1.884 97 A HA -0.336 3.984 4.320 -0.000 0.000 0.219 97 A C 2.367 179.950 177.584 -0.002 0.000 1.197 97 A CA 2.513 54.551 52.037 0.003 0.000 0.637 97 A CB -0.683 18.320 19.000 0.004 0.000 0.827 97 A HN 0.459 nan 8.150 nan 0.000 0.450 98 K N -0.500 119.911 120.400 0.018 0.000 2.025 98 K HA -0.044 4.276 4.320 -0.000 0.000 0.207 98 K C 1.894 178.520 176.600 0.043 0.000 1.049 98 K CA 1.379 57.675 56.287 0.015 0.000 0.933 98 K CB -0.331 32.133 32.500 -0.061 0.000 0.714 98 K HN 0.515 nan 8.250 nan 0.000 0.438 99 I N 1.435 122.000 120.570 -0.008 0.000 2.145 99 I HA -0.375 3.795 4.170 -0.000 0.000 0.244 99 I C 2.609 178.831 176.117 0.176 0.000 1.075 99 I CA 1.574 62.890 61.300 0.026 0.000 1.332 99 I CB -0.409 37.522 38.000 -0.115 0.000 1.033 99 I HN 0.308 nan 8.210 nan 0.000 0.410 100 K N 1.659 122.092 120.400 0.055 0.000 1.985 100 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 100 K C 2.145 178.863 176.600 0.198 0.000 1.047 100 K CA 1.629 57.973 56.287 0.094 0.000 0.932 100 K CB -0.077 32.455 32.500 0.054 0.000 0.716 100 K HN 0.165 nan 8.250 nan 0.000 0.439 101 K N 0.333 120.834 120.400 0.168 0.000 2.218 101 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 101 K C 1.918 178.750 176.600 0.388 0.000 1.046 101 K CA 1.349 57.760 56.287 0.206 0.000 0.933 101 K CB 0.008 32.322 32.500 -0.310 0.000 0.728 101 K HN 0.080 nan 8.250 nan 0.000 0.454 102 V N 0.371 120.527 119.914 0.403 0.000 2.591 102 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 102 V C 2.336 178.690 176.094 0.433 0.000 1.053 102 V CA 1.244 63.832 62.300 0.479 0.000 1.068 102 V CB -0.374 31.676 31.823 0.379 0.000 0.689 102 V HN 0.398 nan 8.190 nan 0.000 0.462 103 C N 0.435 119.948 119.300 0.355 0.000 2.429 103 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 103 C C 2.498 177.562 174.990 0.123 0.000 1.262 103 C CA 0.855 59.959 59.018 0.143 0.000 1.733 103 C CB -1.016 26.752 27.740 0.047 0.000 2.010 103 C HN 0.612 nan 8.230 nan 0.000 0.483 104 E N -0.801 119.509 120.200 0.182 0.000 2.515 104 E HA -0.141 4.209 4.350 -0.000 0.000 0.201 104 E C 1.604 178.252 176.600 0.080 0.000 1.071 104 E CA 0.576 57.044 56.400 0.114 0.000 0.880 104 E CB -0.116 29.708 29.700 0.206 0.000 0.828 104 E HN 0.695 nan 8.360 nan 0.000 0.540 105 C N -0.226 119.174 119.300 0.167 0.000 2.964 105 C HA 0.212 4.672 4.460 -0.000 0.000 0.358 105 C C 0.952 176.006 174.990 0.107 0.000 1.289 105 C CA -0.422 58.677 59.018 0.135 0.000 1.856 105 C CB 0.469 28.342 27.740 0.223 0.000 2.488 105 C HN 0.058 nan 8.230 nan 0.000 0.604 106 V N 0.013 119.998 119.914 0.118 0.000 3.096 106 V HA 0.414 4.534 4.120 -0.000 0.000 0.319 106 V C -0.220 175.904 176.094 0.050 0.000 1.103 106 V CA -0.699 61.654 62.300 0.089 0.000 1.016 106 V CB 1.654 33.544 31.823 0.112 0.000 1.090 106 V HN 0.420 nan 8.190 nan 0.000 0.449 107 C N 5.034 124.364 119.300 0.050 0.000 2.285 107 C HA 0.584 5.044 4.460 -0.000 0.000 0.335 107 C C 0.434 175.467 174.990 0.072 0.000 1.267 107 C CA -0.915 58.135 59.018 0.053 0.000 1.762 107 C CB -0.469 27.306 27.740 0.058 0.000 2.365 107 C HN 0.764 nan 8.230 nan 0.000 0.527 108 M N 4.960 124.610 119.600 0.083 0.000 2.061 108 M HA 0.177 4.657 4.480 -0.000 0.000 0.266 108 M C 1.632 178.060 176.300 0.213 0.000 1.284 108 M CA 0.996 56.363 55.300 0.111 0.000 1.112 108 M CB -0.619 32.079 32.600 0.163 0.000 1.365 108 M HN 1.084 nan 8.290 nan 0.000 0.453 109 H N -0.616 118.492 119.070 0.065 0.000 5.017 109 H HA -0.266 4.290 4.556 -0.000 0.000 0.071 109 H C 1.486 176.852 175.328 0.063 0.000 0.562 109 H CA 2.731 58.817 56.048 0.063 0.000 1.051 109 H CB -1.046 28.756 29.762 0.065 0.000 0.480 109 H HN 0.831 nan 8.280 nan 0.000 0.749 110 C N 1.306 120.778 119.300 0.287 0.000 2.964 110 C HA 0.641 5.101 4.460 -0.000 0.000 0.358 110 C C 1.754 176.807 174.990 0.105 0.000 1.289 110 C CA 1.246 60.380 59.018 0.194 0.000 1.856 110 C CB -0.030 27.843 27.740 0.222 0.000 2.488 110 C HN 1.545 nan 8.230 nan 0.000 0.604 111 G N 2.174 111.033 108.800 0.099 0.000 2.326 111 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.286 111 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.286 111 G C -0.380 174.554 174.900 0.056 0.000 1.096 111 G CA 0.734 45.881 45.100 0.078 0.000 1.003 111 G HN 1.002 nan 8.290 nan 0.000 0.503 112 K N -0.257 120.174 120.400 0.052 0.000 2.443 112 K HA 0.693 5.013 4.320 -0.000 0.000 0.251 112 K C 0.656 177.283 176.600 0.046 0.000 0.972 112 K CA -1.257 55.052 56.287 0.037 0.000 0.833 112 K CB 1.274 33.792 32.500 0.029 0.000 1.317 112 K HN 0.129 nan 8.250 nan 0.000 0.441 113 L N 3.891 125.140 121.223 0.043 0.000 2.483 113 L HA 0.029 4.369 4.340 -0.000 0.000 0.276 113 L C 1.067 177.959 176.870 0.037 0.000 1.213 113 L CA 0.038 54.907 54.840 0.048 0.000 0.843 113 L CB 0.381 42.468 42.059 0.046 0.000 1.107 113 L HN 0.670 nan 8.230 nan 0.000 0.487 114 L N 4.322 125.563 121.223 0.030 0.000 2.612 114 L HA 0.208 4.548 4.340 -0.000 0.000 0.230 114 L C -0.167 176.710 176.870 0.011 0.000 1.140 114 L CA 0.312 55.161 54.840 0.015 0.000 0.896 114 L CB -0.237 41.820 42.059 -0.004 0.000 1.065 114 L HN 0.448 nan 8.230 nan 0.000 0.447 115 L N -0.788 120.445 121.223 0.017 0.000 2.588 115 L HA 0.367 4.707 4.340 -0.000 0.000 0.263 115 L C -1.033 175.842 176.870 0.008 0.000 0.935 115 L CA -0.457 54.392 54.840 0.016 0.000 0.891 115 L CB 2.697 44.757 42.059 0.001 0.000 1.318 115 L HN -0.082 nan 8.230 nan 0.000 0.409 116 D N 0.933 121.336 120.400 0.006 0.000 2.595 116 D HA 0.206 4.846 4.640 -0.000 0.000 0.268 116 D C 0.295 176.521 176.300 -0.124 0.000 1.181 116 D CA -0.410 53.539 54.000 -0.084 0.000 1.085 116 D CB 1.310 42.017 40.800 -0.155 0.000 1.186 116 D HN 0.535 nan 8.370 nan 0.000 0.621 117 E N -0.369 119.672 120.200 -0.265 0.000 2.347 117 E HA -0.118 4.232 4.350 -0.000 0.000 0.196 117 E C 1.534 178.059 176.600 -0.126 0.000 1.008 117 E CA 0.806 57.097 56.400 -0.183 0.000 0.852 117 E CB -0.151 29.425 29.700 -0.207 0.000 0.783 117 E HN 0.335 nan 8.360 nan 0.000 0.505 118 H N 0.280 119.352 119.070 0.003 0.000 2.422 118 H HA -0.025 4.531 4.556 -0.000 0.000 0.298 118 H C 0.751 176.078 175.328 -0.001 0.000 1.098 118 H CA 0.892 56.940 56.048 0.000 0.000 1.315 118 H CB -0.173 29.589 29.762 -0.001 0.000 1.382 118 H HN 0.092 nan 8.280 nan 0.000 0.523 119 N N 1.058 119.809 118.700 0.085 0.000 2.438 119 N HA -0.042 4.697 4.740 -0.000 0.000 0.282 119 N C 1.045 176.569 175.510 0.023 0.000 1.037 119 N CA 0.043 53.120 53.050 0.046 0.000 0.942 119 N CB 2.070 40.573 38.487 0.027 0.000 1.136 119 N HN 0.303 nan 8.380 nan 0.000 0.481 120 E N 3.711 123.924 120.200 0.021 0.000 2.051 120 E HA -0.031 4.319 4.350 -0.000 0.000 0.189 120 E C 1.601 178.206 176.600 0.007 0.000 0.979 120 E CA 0.337 56.745 56.400 0.013 0.000 0.803 120 E CB 0.073 29.782 29.700 0.015 0.000 0.761 120 E HN 0.630 nan 8.360 nan 0.000 0.451 121 L N 0.726 121.952 121.223 0.005 0.000 2.263 121 L HA -0.201 4.139 4.340 -0.000 0.000 0.216 121 L C 2.452 179.322 176.870 0.001 0.000 1.111 121 L CA 0.831 55.672 54.840 0.001 0.000 0.773 121 L CB -0.099 41.957 42.059 -0.005 0.000 0.906 121 L HN 0.381 nan 8.230 nan 0.000 0.439 122 M N -0.639 118.961 119.600 0.001 0.000 2.191 122 M HA -0.125 4.355 4.480 -0.000 0.000 0.262 122 M C 2.230 178.532 176.300 0.003 0.000 1.083 122 M CA 1.609 56.909 55.300 0.001 0.000 1.154 122 M CB -0.317 32.282 32.600 -0.002 0.000 1.344 122 M HN -0.072 nan 8.290 nan 0.000 0.431 123 R N -0.210 120.289 120.500 -0.002 0.000 2.119 123 R HA -0.249 4.091 4.340 -0.000 0.000 0.246 123 R C 2.413 178.718 176.300 0.008 0.000 1.146 123 R CA 2.229 58.327 56.100 -0.002 0.000 0.962 123 R CB -0.646 29.651 30.300 -0.005 0.000 0.863 123 R HN 0.647 nan 8.270 nan 0.000 0.442 124 Q N -0.131 119.675 119.800 0.010 0.000 2.096 124 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 124 Q C 1.907 177.919 176.000 0.020 0.000 0.982 124 Q CA 1.874 57.686 55.803 0.014 0.000 0.850 124 Q CB -0.037 28.708 28.738 0.013 0.000 0.901 124 Q HN 0.408 nan 8.270 nan 0.000 0.422 125 A N 0.663 123.495 122.820 0.021 0.000 1.854 125 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 125 A C 2.005 179.612 177.584 0.038 0.000 1.192 125 A CA 0.909 52.964 52.037 0.030 0.000 0.611 125 A CB -0.778 18.239 19.000 0.028 0.000 0.832 125 A HN 0.435 nan 8.150 nan 0.000 0.442 126 L N -0.551 120.692 121.223 0.033 0.000 2.456 126 L HA -0.249 4.091 4.340 -0.000 0.000 0.225 126 L C 2.690 179.581 176.870 0.035 0.000 1.142 126 L CA 0.795 55.657 54.840 0.037 0.000 0.796 126 L CB -0.311 41.761 42.059 0.021 0.000 0.920 126 L HN 0.497 nan 8.230 nan 0.000 0.446 127 A N -0.544 122.294 122.820 0.031 0.000 1.997 127 A HA 0.143 4.463 4.320 -0.000 0.000 0.212 127 A C 1.221 178.826 177.584 0.035 0.000 1.178 127 A CA -0.225 51.829 52.037 0.029 0.000 0.698 127 A CB -0.103 18.911 19.000 0.023 0.000 0.842 127 A HN 0.211 nan 8.150 nan 0.000 0.458 128 I N 2.135 122.729 120.570 0.039 0.000 3.022 128 I HA -0.120 4.050 4.170 -0.000 0.000 0.290 128 I C -0.134 176.012 176.117 0.048 0.000 1.212 128 I CA 0.574 61.900 61.300 0.043 0.000 1.377 128 I CB 0.060 38.089 38.000 0.049 0.000 1.417 128 I HN 0.232 nan 8.210 nan 0.000 0.540 129 K N 6.115 126.540 120.400 0.041 0.000 2.316 129 K HA 0.250 4.570 4.320 -0.000 0.000 0.289 129 K C -0.606 176.018 176.600 0.041 0.000 1.070 129 K CA -0.150 56.162 56.287 0.040 0.000 0.928 129 K CB 0.491 33.011 32.500 0.034 0.000 1.039 129 K HN 0.499 nan 8.250 nan 0.000 0.480 130 D N 1.756 122.182 120.400 0.044 0.000 3.391 130 D HA -0.081 4.559 4.640 -0.000 0.000 0.116 130 D C 0.303 176.632 176.300 0.049 0.000 0.798 130 D CA 0.092 54.115 54.000 0.039 0.000 1.988 130 D CB -0.466 40.357 40.800 0.038 0.000 1.644 130 D HN 0.337 nan 8.370 nan 0.000 0.920 131 S N 2.964 118.686 115.700 0.035 0.000 2.422 131 S HA -0.337 4.133 4.470 -0.000 0.000 0.248 131 S C 1.840 176.478 174.600 0.063 0.000 1.069 131 S CA 1.453 59.673 58.200 0.033 0.000 1.214 131 S CB -0.196 62.980 63.200 -0.039 0.000 1.122 131 S HN 0.605 nan 8.310 nan 0.000 0.432 132 K N 1.448 121.861 120.400 0.022 0.000 2.044 132 K HA -0.204 4.116 4.320 -0.000 0.000 0.224 132 K C 1.997 178.660 176.600 0.105 0.000 1.056 132 K CA 1.879 58.192 56.287 0.043 0.000 0.962 132 K CB -0.665 31.843 32.500 0.013 0.000 0.730 132 K HN 0.498 nan 8.250 nan 0.000 0.453 133 K N 0.294 120.744 120.400 0.083 0.000 2.155 133 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 133 K C 2.382 179.045 176.600 0.104 0.000 1.052 133 K CA 0.549 56.887 56.287 0.086 0.000 0.948 133 K CB -0.047 32.490 32.500 0.062 0.000 0.728 133 K HN 0.154 nan 8.250 nan 0.000 0.448 134 R N 0.952 121.522 120.500 0.117 0.000 2.075 134 R HA -0.163 4.177 4.340 -0.000 0.000 0.230 134 R C 2.157 178.558 176.300 0.169 0.000 1.140 134 R CA 1.661 57.836 56.100 0.125 0.000 0.928 134 R CB -0.504 29.872 30.300 0.127 0.000 0.834 134 R HN 0.162 nan 8.270 nan 0.000 0.429 135 F N 1.498 121.487 119.950 0.065 0.000 2.287 135 F HA -0.148 4.379 4.527 -0.000 0.000 0.301 135 F C 1.970 177.836 175.800 0.110 0.000 1.069 135 F CA 1.325 59.379 58.000 0.089 0.000 1.372 135 F CB -0.253 38.778 39.000 0.052 0.000 1.056 135 F HN 0.215 nan 8.300 nan 0.000 0.523 136 A N 0.172 123.065 122.820 0.123 0.000 1.930 136 A HA 0.044 4.364 4.320 -0.000 0.000 0.217 136 A C 2.393 180.018 177.584 0.068 0.000 1.175 136 A CA 1.547 53.620 52.037 0.060 0.000 0.627 136 A CB -1.374 17.683 19.000 0.095 0.000 0.815 136 A HN 0.482 nan 8.150 nan 0.000 0.443 137 A N 0.208 123.063 122.820 0.059 0.000 1.831 137 A HA 0.035 4.355 4.320 -0.000 0.000 0.213 137 A C 1.990 179.589 177.584 0.025 0.000 1.223 137 A CA 1.184 53.250 52.037 0.049 0.000 0.604 137 A CB -0.842 18.184 19.000 0.044 0.000 0.878 137 A HN 0.416 nan 8.150 nan 0.000 0.450 138 I N -1.997 118.583 120.570 0.016 0.000 2.188 138 I HA -0.393 3.777 4.170 -0.000 0.000 0.246 138 I C 2.409 178.513 176.117 -0.022 0.000 1.033 138 I CA 2.436 63.737 61.300 0.002 0.000 1.307 138 I CB -0.466 37.555 38.000 0.034 0.000 1.005 138 I HN 0.758 nan 8.210 nan 0.000 0.421 139 W N 1.820 122.931 121.300 -0.314 0.000 2.381 139 W HA -0.216 4.444 4.660 -0.000 0.000 0.323 139 W C 2.801 179.216 176.519 -0.172 0.000 1.194 139 W CA 2.424 59.579 57.345 -0.317 0.000 1.296 139 W CB -0.912 28.242 29.460 -0.510 0.000 1.175 139 W HN -0.044 nan 8.180 nan 0.000 0.465 140 T N 2.127 116.662 114.554 -0.033 0.000 2.714 140 T HA -0.319 4.031 4.350 -0.000 0.000 0.268 140 T C 1.886 176.431 174.700 -0.259 0.000 1.036 140 T CA 1.850 63.799 62.100 -0.251 0.000 1.148 140 T CB -0.729 68.141 68.868 0.005 0.000 0.856 140 T HN 0.198 nan 8.240 nan 0.000 0.462 141 L N 0.746 121.879 121.223 -0.149 0.000 1.948 141 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 141 L C 2.286 179.064 176.870 -0.154 0.000 1.074 141 L CA 1.667 56.437 54.840 -0.117 0.000 0.753 141 L CB -0.329 41.694 42.059 -0.059 0.000 0.888 141 L HN 0.494 nan 8.230 nan 0.000 0.432 142 C N -1.852 117.356 119.300 -0.154 0.000 2.353 142 C HA 0.199 4.659 4.460 -0.000 0.000 0.338 142 C C 1.927 176.785 174.990 -0.221 0.000 1.343 142 C CA -0.817 58.113 59.018 -0.146 0.000 1.760 142 C CB -1.596 26.101 27.740 -0.073 0.000 2.111 142 C HN 0.478 nan 8.230 nan 0.000 0.576 143 K N 0.537 120.701 120.400 -0.393 0.000 2.137 143 K HA -0.009 4.311 4.320 -0.000 0.000 0.202 143 K C 1.587 177.997 176.600 -0.317 0.000 1.052 143 K CA 1.475 57.459 56.287 -0.503 0.000 0.961 143 K CB -0.707 31.168 32.500 -1.042 0.000 0.741 143 K HN 0.308 nan 8.250 nan 0.000 0.452 144 T N 1.162 115.551 114.554 -0.275 0.000 2.770 144 T HA -0.053 4.297 4.350 -0.000 0.000 0.263 144 T C 0.679 175.300 174.700 -0.132 0.000 1.039 144 T CA 0.655 62.643 62.100 -0.185 0.000 1.142 144 T CB -0.104 68.669 68.868 -0.159 0.000 0.868 144 T HN 0.044 nan 8.240 nan 0.000 0.435 145 K N 2.409 122.738 120.400 -0.119 0.000 2.320 145 K HA 0.015 4.335 4.320 -0.000 0.000 0.269 145 K C -0.156 176.399 176.600 -0.075 0.000 1.182 145 K CA 0.322 56.562 56.287 -0.079 0.000 1.190 145 K CB -0.640 31.821 32.500 -0.065 0.000 0.850 145 K HN 0.368 nan 8.250 nan 0.000 0.467 146 M N 3.795 123.357 119.600 -0.064 0.000 2.972 146 M HA 0.156 4.636 4.480 -0.000 0.000 0.323 146 M C -0.981 175.300 176.300 -0.031 0.000 1.213 146 M CA -0.399 54.865 55.300 -0.061 0.000 0.935 146 M CB 0.736 33.291 32.600 -0.075 0.000 1.289 146 M HN 0.018 nan 8.290 nan 0.000 0.525 147 V N -0.536 119.366 119.914 -0.021 0.000 2.852 147 V HA 0.096 4.216 4.120 -0.000 0.000 0.300 147 V C -0.754 175.338 176.094 -0.004 0.000 1.205 147 V CA -1.250 61.047 62.300 -0.005 0.000 0.940 147 V CB 2.314 34.135 31.823 -0.005 0.000 1.047 147 V HN 0.396 nan 8.190 nan 0.000 0.429 148 C N 4.929 124.230 119.300 0.002 0.000 3.183 148 C HA 0.266 4.726 4.460 -0.000 0.000 0.545 148 C C 0.990 175.980 174.990 -0.000 0.000 1.044 148 C CA -0.521 58.499 59.018 0.004 0.000 1.117 148 C CB -2.128 25.616 27.740 0.007 0.000 1.393 148 C HN 0.896 nan 8.230 nan 0.000 0.611 149 E N 1.808 122.007 120.200 -0.000 0.000 2.708 149 E HA -0.085 4.265 4.350 -0.000 0.000 0.260 149 E C 1.049 177.648 176.600 -0.001 0.000 0.937 149 E CA 0.510 56.909 56.400 -0.003 0.000 0.953 149 E CB 0.565 30.265 29.700 -0.001 0.000 0.915 149 E HN 0.605 nan 8.360 nan 0.000 0.487 150 T N 2.166 116.714 114.554 -0.010 0.000 3.037 150 T HA 0.017 4.367 4.350 -0.000 0.000 0.251 150 T C -0.244 174.443 174.700 -0.022 0.000 1.079 150 T CA 0.287 62.380 62.100 -0.011 0.000 1.067 150 T CB 0.268 69.127 68.868 -0.015 0.000 0.948 150 T HN 0.400 nan 8.240 nan 0.000 0.496 151 D N 0.571 120.954 120.400 -0.029 0.000 2.977 151 D HA 0.481 5.121 4.640 -0.000 0.000 0.220 151 D C -1.297 174.971 176.300 -0.053 0.000 1.267 151 D CA -0.257 53.713 54.000 -0.050 0.000 0.884 151 D CB 2.976 43.750 40.800 -0.043 0.000 1.667 151 D HN -0.074 nan 8.370 nan 0.000 0.536 152 V N 2.108 121.970 119.914 -0.088 0.000 2.789 152 V HA 0.402 4.522 4.120 -0.000 0.000 0.311 152 V C -2.364 173.676 176.094 -0.089 0.000 1.073 152 V CA -1.795 60.460 62.300 -0.075 0.000 0.921 152 V CB 2.689 34.477 31.823 -0.058 0.000 1.009 152 V HN 0.361 nan 8.190 nan 0.000 0.426 153 P HA 0.088 nan 4.420 nan 0.000 0.268 153 P C 0.289 177.566 177.300 -0.038 0.000 1.282 153 P CA 0.191 63.267 63.100 -0.041 0.000 0.880 153 P CB 0.329 32.016 31.700 -0.021 0.000 0.971 154 S N 2.932 118.596 115.700 -0.059 0.000 2.589 154 S HA -0.073 4.397 4.470 -0.000 0.000 0.256 154 S C 0.672 175.275 174.600 0.004 0.000 1.383 154 S CA -0.180 57.998 58.200 -0.036 0.000 0.983 154 S CB -0.056 63.117 63.200 -0.045 0.000 0.908 154 S HN 0.314 nan 8.310 nan 0.000 0.572 155 E N 1.395 121.612 120.200 0.029 0.000 2.975 155 E HA 0.154 4.504 4.350 -0.000 0.000 0.301 155 E C -0.185 176.424 176.600 0.015 0.000 1.554 155 E CA 0.175 56.591 56.400 0.027 0.000 1.716 155 E CB -0.284 29.438 29.700 0.037 0.000 1.365 155 E HN 0.471 nan 8.360 nan 0.000 0.469 156 D N -0.238 120.165 120.400 0.006 0.000 3.100 156 D HA 0.058 4.698 4.640 -0.000 0.000 0.197 156 D C -0.165 176.135 176.300 0.000 0.000 1.362 156 D CA -0.107 53.894 54.000 0.003 0.000 1.477 156 D CB 0.204 41.003 40.800 -0.002 0.000 1.048 156 D HN 0.172 nan 8.370 nan 0.000 0.186 157 D N 0.787 121.185 120.400 -0.004 0.000 2.457 157 D HA 0.226 4.866 4.640 -0.000 0.000 0.240 157 D C -2.236 174.059 176.300 -0.008 0.000 1.041 157 D CA -1.590 52.407 54.000 -0.005 0.000 0.861 157 D CB 2.704 43.501 40.800 -0.005 0.000 1.394 157 D HN -0.066 nan 8.370 nan 0.000 0.473 158 P HA -0.042 nan 4.420 nan 0.000 0.242 158 P C 0.863 178.156 177.300 -0.012 0.000 1.197 158 P CA 0.387 63.482 63.100 -0.009 0.000 0.765 158 P CB 0.223 31.919 31.700 -0.007 0.000 0.936 159 T N 0.427 114.975 114.554 -0.011 0.000 2.706 159 T HA -0.097 4.253 4.350 -0.000 0.000 0.255 159 T C 0.680 175.371 174.700 -0.015 0.000 1.048 159 T CA 1.117 63.211 62.100 -0.011 0.000 1.153 159 T CB -0.558 68.305 68.868 -0.009 0.000 0.865 159 T HN 0.313 nan 8.240 nan 0.000 0.414 160 Q N 2.460 122.250 119.800 -0.016 0.000 2.389 160 Q HA 0.495 4.835 4.340 -0.000 0.000 0.244 160 Q C -0.921 175.061 176.000 -0.030 0.000 1.056 160 Q CA -0.060 55.730 55.803 -0.021 0.000 0.908 160 Q CB -0.330 28.396 28.738 -0.019 0.000 1.273 160 Q HN 0.395 nan 8.270 nan 0.000 0.471 161 L N 3.220 124.423 121.223 -0.034 0.000 2.319 161 L HA 0.418 4.758 4.340 -0.000 0.000 0.280 161 L C -0.081 176.752 176.870 -0.062 0.000 1.099 161 L CA -1.022 53.789 54.840 -0.048 0.000 0.828 161 L CB 0.617 42.652 42.059 -0.041 0.000 1.150 161 L HN 0.455 nan 8.230 nan 0.000 0.442 162 V N 1.687 121.544 119.914 -0.095 0.000 2.997 162 V HA 0.373 4.493 4.120 -0.000 0.000 0.311 162 V C 0.487 176.505 176.094 -0.127 0.000 1.066 162 V CA -0.629 61.602 62.300 -0.115 0.000 1.039 162 V CB 1.759 33.487 31.823 -0.159 0.000 1.081 162 V HN 0.935 nan 8.190 nan 0.000 0.467 163 S N 2.143 117.782 115.700 -0.102 0.000 2.549 163 S HA 0.786 5.256 4.470 -0.000 0.000 0.297 163 S C -0.248 174.313 174.600 -0.064 0.000 1.115 163 S CA -0.779 57.377 58.200 -0.073 0.000 1.059 163 S CB 2.164 65.340 63.200 -0.040 0.000 1.046 163 S HN 0.918 nan 8.310 nan 0.000 0.506 164 R N 1.975 122.458 120.500 -0.028 0.000 2.787 164 R HA 0.675 5.015 4.340 -0.000 0.000 0.097 164 R C 0.619 176.935 176.300 0.026 0.000 0.862 164 R CA -0.554 55.564 56.100 0.029 0.000 0.681 164 R CB -0.436 29.920 30.300 0.093 0.000 0.589 164 R HN 0.684 nan 8.270 nan 0.000 0.348 165 G N -0.044 108.777 108.800 0.036 0.000 2.444 165 G HA2 0.439 4.399 3.960 -0.000 0.000 0.268 165 G HA3 0.439 4.399 3.960 -0.000 0.000 0.268 165 G C 0.025 174.934 174.900 0.015 0.000 1.203 165 G CA -0.181 44.934 45.100 0.024 0.000 0.835 165 G HN 0.587 nan 8.290 nan 0.000 0.543 166 G N -0.747 108.060 108.800 0.012 0.000 2.735 166 G HA2 0.391 4.350 3.960 -0.000 0.000 0.192 166 G HA3 0.391 4.350 3.960 -0.000 0.000 0.192 166 G C 0.836 175.731 174.900 -0.007 0.000 1.547 166 G CA 0.357 45.458 45.100 0.003 0.000 1.080 166 G HN 2.023 nan 8.290 nan 0.000 0.569 167 C N -1.533 117.750 119.300 -0.028 0.000 1.959 167 C HA -0.024 4.436 4.460 -0.000 0.000 0.203 167 C C 1.554 176.494 174.990 -0.084 0.000 1.061 167 C CA -0.861 58.102 59.018 -0.092 0.000 3.062 167 C CB -2.072 25.565 27.740 -0.172 0.000 1.783 167 C HN 1.381 nan 8.230 nan 0.000 0.255 168 G N 3.134 111.895 108.800 -0.066 0.000 2.956 168 G HA2 0.082 4.042 3.960 -0.000 0.000 0.207 168 G HA3 0.082 4.042 3.960 -0.000 0.000 0.207 168 G C 0.583 175.461 174.900 -0.036 0.000 1.162 168 G CA -0.071 45.005 45.100 -0.040 0.000 0.796 168 G HN 0.991 nan 8.290 nan 0.000 0.527 169 N N 1.709 120.362 118.700 -0.078 0.000 1.935 169 N HA -0.091 4.649 4.740 -0.000 0.000 0.304 169 N C 0.411 175.951 175.510 0.051 0.000 1.286 169 N CA 0.888 53.914 53.050 -0.040 0.000 0.798 169 N CB 0.353 38.780 38.487 -0.101 0.000 1.028 169 N HN 0.008 nan 8.380 nan 0.000 0.494 170 T N 2.794 117.411 114.554 0.105 0.000 2.903 170 T HA -0.002 4.348 4.350 -0.000 0.000 0.314 170 T C 0.642 175.463 174.700 0.202 0.000 1.078 170 T CA -0.172 62.010 62.100 0.137 0.000 1.114 170 T CB 0.538 69.502 68.868 0.160 0.000 0.987 170 T HN 0.256 nan 8.240 nan 0.000 0.548 171 Q N 3.149 122.978 119.800 0.049 0.000 2.278 171 Q HA 0.290 4.630 4.340 -0.000 0.000 0.257 171 Q C -2.228 173.568 176.000 -0.339 0.000 0.928 171 Q CA -2.476 53.275 55.803 -0.087 0.000 0.932 171 Q CB 1.132 29.821 28.738 -0.080 0.000 1.221 171 Q HN 0.442 nan 8.270 nan 0.000 0.434 172 P HA -0.026 nan 4.420 nan 0.000 0.268 172 P C -0.261 176.679 177.300 -0.598 0.000 1.204 172 P CA -0.056 62.280 63.100 -1.273 0.000 0.768 172 P CB 0.666 30.960 31.700 -2.343 0.000 0.842 173 T N 4.543 118.856 114.554 -0.401 0.000 2.761 173 T HA 0.344 4.694 4.350 -0.000 0.000 0.296 173 T C 0.358 174.924 174.700 -0.223 0.000 0.934 173 T CA -0.226 61.737 62.100 -0.228 0.000 1.091 173 T CB -0.560 68.227 68.868 -0.134 0.000 0.896 173 T HN 0.192 nan 8.240 nan 0.000 0.515 174 I N 6.053 126.526 120.570 -0.162 0.000 2.437 174 I HA 0.574 4.744 4.170 -0.000 0.000 0.298 174 I C 0.503 176.605 176.117 -0.023 0.000 0.984 174 I CA -0.918 60.320 61.300 -0.103 0.000 1.214 174 I CB 1.251 39.208 38.000 -0.072 0.000 1.365 174 I HN 0.554 nan 8.210 nan 0.000 0.469 175 R N 4.406 124.905 120.500 -0.002 0.000 2.808 175 R HA 0.577 4.917 4.340 -0.000 0.000 0.272 175 R C -1.395 174.934 176.300 0.048 0.000 0.995 175 R CA -1.119 54.999 56.100 0.029 0.000 0.917 175 R CB 2.163 32.478 30.300 0.025 0.000 1.217 175 R HN 0.470 nan 8.270 nan 0.000 0.471 176 K N 1.236 121.671 120.400 0.059 0.000 2.156 176 K HA 0.134 4.454 4.320 -0.000 0.000 0.271 176 K C -1.286 175.359 176.600 0.074 0.000 0.995 176 K CA -0.479 55.851 56.287 0.072 0.000 0.890 176 K CB 1.186 33.728 32.500 0.069 0.000 1.073 176 K HN 0.728 nan 8.250 nan 0.000 0.454 177 D N 3.541 123.994 120.400 0.089 0.000 2.476 177 D HA 0.246 4.885 4.640 -0.000 0.000 0.251 177 D C 0.440 176.799 176.300 0.098 0.000 1.291 177 D CA 0.343 54.392 54.000 0.082 0.000 0.939 177 D CB 1.133 41.978 40.800 0.074 0.000 1.221 177 D HN 0.855 nan 8.370 nan 0.000 0.567 178 G N 3.477 112.333 108.800 0.093 0.000 2.651 178 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.315 178 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.315 178 G C 0.713 175.697 174.900 0.139 0.000 1.258 178 G CA 0.553 45.718 45.100 0.109 0.000 1.002 178 G HN 0.593 nan 8.290 nan 0.000 0.551 179 L N 1.097 122.418 121.223 0.163 0.000 2.783 179 L HA 0.330 4.670 4.340 -0.000 0.000 0.236 179 L C 0.402 177.438 176.870 0.277 0.000 1.225 179 L CA 0.050 55.022 54.840 0.221 0.000 1.026 179 L CB -0.299 41.885 42.059 0.208 0.000 1.314 179 L HN 0.178 nan 8.230 nan 0.000 0.489 180 K N 1.485 122.021 120.400 0.226 0.000 2.316 180 K HA 0.588 4.908 4.320 -0.000 0.000 0.251 180 K C -0.819 175.922 176.600 0.234 0.000 0.934 180 K CA -0.614 55.817 56.287 0.240 0.000 0.802 180 K CB 3.219 35.803 32.500 0.139 0.000 1.171 180 K HN 0.043 nan 8.250 nan 0.000 0.426 181 L N 2.213 123.609 121.223 0.289 0.000 2.282 181 L HA 0.458 4.798 4.340 -0.000 0.000 0.288 181 L C -0.369 176.590 176.870 0.148 0.000 1.033 181 L CA -1.000 53.955 54.840 0.191 0.000 0.807 181 L CB 1.658 43.832 42.059 0.192 0.000 1.209 181 L HN 0.166 nan 8.230 nan 0.000 0.423 182 V N 2.429 122.400 119.914 0.096 0.000 2.735 182 V HA 0.844 4.964 4.120 -0.000 0.000 0.310 182 V C 0.120 176.223 176.094 0.014 0.000 1.061 182 V CA -0.267 62.085 62.300 0.086 0.000 0.913 182 V CB 2.196 34.072 31.823 0.089 0.000 1.005 182 V HN 0.841 nan 8.190 nan 0.000 0.428 183 G N 2.164 110.961 108.800 -0.005 0.000 2.569 183 G HA2 0.682 4.642 3.960 -0.000 0.000 0.300 183 G HA3 0.682 4.642 3.960 -0.000 0.000 0.300 183 G C -0.856 173.995 174.900 -0.081 0.000 1.269 183 G CA -0.241 44.699 45.100 -0.267 0.000 0.959 183 G HN 1.076 nan 8.290 nan 0.000 0.478 184 S N -0.197 115.398 115.700 -0.175 0.000 2.620 184 S HA 0.315 4.784 4.470 -0.000 0.000 0.244 184 S C -0.870 173.820 174.600 0.151 0.000 1.192 184 S CA -0.810 57.491 58.200 0.168 0.000 1.148 184 S CB 0.284 63.541 63.200 0.096 0.000 1.106 184 S HN 0.622 nan 8.310 nan 0.000 0.474 185 W N 3.670 124.975 121.300 0.008 0.000 2.605 185 W HA 0.299 4.959 4.660 -0.000 0.000 0.327 185 W C 0.729 177.248 176.519 -0.000 0.000 1.332 185 W CA -0.753 56.593 57.345 0.002 0.000 1.403 185 W CB 0.548 30.009 29.460 0.002 0.000 1.452 185 W HN 0.602 nan 8.180 nan 0.000 0.503 196 E N 0.182 120.397 120.200 0.025 0.000 7.836 196 E HA -0.108 4.242 4.350 -0.000 0.000 0.464 196 E C -2.591 174.035 176.600 0.044 0.000 0.603 196 E CA -0.560 55.858 56.400 0.030 0.000 1.065 196 E CB -0.043 29.673 29.700 0.026 0.000 0.978 196 E HN 0.214 nan 8.360 nan 0.000 0.262 197 P HA 0.046 nan 4.420 nan 0.000 0.288 197 P C -0.576 176.781 177.300 0.096 0.000 1.291 197 P CA 0.215 63.367 63.100 0.085 0.000 0.766 197 P CB 0.372 32.123 31.700 0.085 0.000 1.242 198 E N -0.253 120.037 120.200 0.151 0.000 4.052 198 E HA 0.251 4.601 4.350 -0.000 0.000 0.219 198 E C -0.419 176.301 176.600 0.201 0.000 1.166 198 E CA -0.350 56.127 56.400 0.128 0.000 1.338 198 E CB -0.469 29.270 29.700 0.064 0.000 1.212 198 E HN 0.278 nan 8.360 nan 0.000 0.432 199 L N 2.634 123.963 121.223 0.177 0.000 2.678 199 L HA -0.030 4.310 4.340 -0.000 0.000 0.285 199 L C 0.382 177.366 176.870 0.190 0.000 1.233 199 L CA 0.973 55.930 54.840 0.195 0.000 0.920 199 L CB -0.103 42.026 42.059 0.118 0.000 1.176 199 L HN 0.413 nan 8.230 nan 0.000 0.495 200 R N 2.066 122.741 120.500 0.292 0.000 2.594 200 R HA 0.518 4.858 4.340 -0.000 0.000 0.265 200 R C -1.868 174.591 176.300 0.265 0.000 1.070 200 R CA -0.814 55.418 56.100 0.220 0.000 0.909 200 R CB 1.260 31.622 30.300 0.103 0.000 1.243 200 R HN 0.183 nan 8.270 nan 0.000 0.455 201 V N 4.728 124.735 119.914 0.155 0.000 2.555 201 V HA 0.219 4.339 4.120 -0.000 0.000 0.286 201 V C 0.416 176.609 176.094 0.166 0.000 1.044 201 V CA -0.384 62.000 62.300 0.140 0.000 1.026 201 V CB 1.017 32.883 31.823 0.072 0.000 0.981 201 V HN 0.618 nan 8.190 nan 0.000 0.480 202 L N 5.299 126.637 121.223 0.192 0.000 2.342 202 L HA 0.223 4.563 4.340 -0.000 0.000 0.285 202 L C 0.984 177.953 176.870 0.165 0.000 1.095 202 L CA 0.335 55.295 54.840 0.201 0.000 0.843 202 L CB 0.966 43.144 42.059 0.198 0.000 1.201 202 L HN 0.869 nan 8.230 nan 0.000 0.445 203 S N 2.059 117.823 115.700 0.107 0.000 2.584 203 S HA 0.069 4.539 4.470 -0.000 0.000 0.270 203 S C 1.201 175.838 174.600 0.062 0.000 1.346 203 S CA -0.221 58.007 58.200 0.047 0.000 1.018 203 S CB 1.389 64.598 63.200 0.015 0.000 0.899 203 S HN 0.647 nan 8.310 nan 0.000 0.542 204 T N 2.835 117.362 114.554 -0.045 0.000 2.668 204 T HA -0.051 4.299 4.350 -0.000 0.000 0.262 204 T C 1.496 176.226 174.700 0.050 0.000 1.045 204 T CA 1.921 63.985 62.100 -0.060 0.000 1.152 204 T CB -0.669 68.028 68.868 -0.285 0.000 0.864 204 T HN 0.813 nan 8.240 nan 0.000 0.419 205 E N 1.161 121.371 120.200 0.015 0.000 2.219 205 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 205 E C 2.006 178.624 176.600 0.030 0.000 0.998 205 E CA 1.101 57.518 56.400 0.029 0.000 0.818 205 E CB -0.164 29.544 29.700 0.014 0.000 0.741 205 E HN 0.633 nan 8.360 nan 0.000 0.477 206 E N 0.453 120.674 120.200 0.034 0.000 2.016 206 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 206 E C 1.885 178.489 176.600 0.006 0.000 0.985 206 E CA 1.015 57.430 56.400 0.024 0.000 0.802 206 E CB 0.035 29.764 29.700 0.048 0.000 0.762 206 E HN 0.156 nan 8.360 nan 0.000 0.448 207 I N 1.949 122.548 120.570 0.048 0.000 2.286 207 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 207 I C 2.690 178.776 176.117 -0.051 0.000 1.115 207 I CA 0.917 62.191 61.300 -0.044 0.000 1.392 207 I CB -1.212 36.894 38.000 0.177 0.000 1.065 207 I HN 0.357 nan 8.210 nan 0.000 0.418 208 L N 0.860 122.167 121.223 0.139 0.000 1.994 208 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 208 L C 2.536 179.453 176.870 0.079 0.000 1.071 208 L CA 1.788 56.749 54.840 0.201 0.000 0.745 208 L CB -0.450 41.711 42.059 0.170 0.000 0.892 208 L HN 0.318 nan 8.230 nan 0.000 0.431 209 N N 0.518 119.207 118.700 -0.018 0.000 2.104 209 N HA -0.223 4.517 4.740 -0.000 0.000 0.190 209 N C 1.880 177.283 175.510 -0.178 0.000 1.024 209 N CA 1.785 54.754 53.050 -0.135 0.000 0.853 209 N CB -0.175 38.220 38.487 -0.153 0.000 1.008 209 N HN 0.421 nan 8.380 nan 0.000 0.424 210 I N 0.108 120.593 120.570 -0.142 0.000 2.226 210 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 210 I C 1.747 177.825 176.117 -0.065 0.000 1.100 210 I CA 0.889 62.113 61.300 -0.128 0.000 1.374 210 I CB -0.343 37.535 38.000 -0.204 0.000 1.057 210 I HN 0.010 nan 8.210 nan 0.000 0.413 211 F N 1.280 121.233 119.950 0.005 0.000 2.134 211 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 211 F C 2.483 178.281 175.800 -0.003 0.000 1.097 211 F CA 1.271 59.263 58.000 -0.013 0.000 1.264 211 F CB -0.803 38.173 39.000 -0.040 0.000 1.001 211 F HN -0.081 nan 8.300 nan 0.000 0.479 212 K N -0.978 119.516 120.400 0.156 0.000 2.152 212 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 212 K C 1.621 178.290 176.600 0.114 0.000 1.048 212 K CA 1.239 57.569 56.287 0.072 0.000 0.933 212 K CB -0.186 32.289 32.500 -0.042 0.000 0.721 212 K HN 0.234 nan 8.250 nan 0.000 0.447 213 H N -0.197 118.891 119.070 0.030 0.000 2.548 213 H HA 0.162 4.718 4.556 -0.000 0.000 0.265 213 H C 0.241 175.542 175.328 -0.044 0.000 0.969 213 H CA -0.005 56.033 56.048 -0.018 0.000 1.155 213 H CB -0.114 29.636 29.762 -0.019 0.000 1.394 213 H HN 0.067 nan 8.280 nan 0.000 0.570 214 I N 2.026 122.660 120.570 0.107 0.000 2.710 214 I HA -0.102 4.068 4.170 -0.000 0.000 0.286 214 I C 0.931 176.925 176.117 -0.205 0.000 1.181 214 I CA 0.051 61.364 61.300 0.021 0.000 1.430 214 I CB 0.508 38.585 38.000 0.128 0.000 1.367 214 I HN 0.174 nan 8.210 nan 0.000 0.577 215 S N 5.173 120.744 115.700 -0.215 0.000 2.585 215 S HA 0.129 4.599 4.470 -0.000 0.000 0.273 215 S C 1.135 175.371 174.600 -0.606 0.000 1.339 215 S CA -0.974 57.029 58.200 -0.329 0.000 1.028 215 S CB 1.568 64.662 63.200 -0.178 0.000 0.906 215 S HN 0.405 nan 8.310 nan 0.000 0.528 216 V N 2.675 122.202 119.914 -0.645 0.000 2.392 216 V HA -0.179 3.941 4.120 -0.000 0.000 0.249 216 V C 2.604 178.563 176.094 -0.224 0.000 1.059 216 V CA 1.994 63.885 62.300 -0.682 0.000 1.051 216 V CB -1.091 30.541 31.823 -0.317 0.000 0.658 216 V HN 0.883 nan 8.190 nan 0.000 0.455 217 K N -0.273 120.047 120.400 -0.133 0.000 2.103 217 K HA -0.132 4.188 4.320 -0.000 0.000 0.204 217 K C 1.981 178.598 176.600 0.028 0.000 1.052 217 K CA 1.375 57.650 56.287 -0.020 0.000 0.945 217 K CB -0.303 32.181 32.500 -0.026 0.000 0.722 217 K HN 0.464 nan 8.250 nan 0.000 0.443 218 D N 0.770 121.161 120.400 -0.015 0.000 2.123 218 D HA -0.143 4.497 4.640 -0.000 0.000 0.196 218 D C 1.739 178.137 176.300 0.164 0.000 0.992 218 D CA 0.923 54.955 54.000 0.052 0.000 0.833 218 D CB -0.327 40.482 40.800 0.015 0.000 0.954 218 D HN 0.124 nan 8.370 nan 0.000 0.455 219 F N 1.407 121.341 119.950 -0.027 0.000 2.070 219 F HA -0.362 4.165 4.527 -0.000 0.000 0.298 219 F C 2.758 178.600 175.800 0.071 0.000 1.189 219 F CA 1.565 59.527 58.000 -0.064 0.000 1.223 219 F CB -0.701 38.264 39.000 -0.057 0.000 0.939 219 F HN 0.017 nan 8.300 nan 0.000 0.531 220 T N 0.115 114.893 114.554 0.374 0.000 2.592 220 T HA -0.290 4.060 4.350 -0.000 0.000 0.267 220 T C 1.821 176.638 174.700 0.195 0.000 1.060 220 T CA 2.097 64.337 62.100 0.233 0.000 1.167 220 T CB -0.960 68.015 68.868 0.178 0.000 0.863 220 T HN 0.383 nan 8.240 nan 0.000 0.431 221 S N 2.024 117.826 115.700 0.169 0.000 2.407 221 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 221 S C 1.478 176.214 174.600 0.227 0.000 1.036 221 S CA 0.896 59.188 58.200 0.155 0.000 1.013 221 S CB -0.684 62.587 63.200 0.117 0.000 0.820 221 S HN 0.426 nan 8.310 nan 0.000 0.476 222 L N 1.914 123.317 121.223 0.299 0.000 2.968 222 L HA 0.325 4.665 4.340 -0.000 0.000 0.235 222 L C 1.432 178.544 176.870 0.404 0.000 1.323 222 L CA -0.110 55.018 54.840 0.480 0.000 1.159 222 L CB -0.812 41.537 42.059 0.483 0.000 1.523 222 L HN 0.493 nan 8.230 nan 0.000 0.468 223 G N -0.408 108.529 108.800 0.228 0.000 2.269 223 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.277 223 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.277 223 G C 0.191 174.998 174.900 -0.156 0.000 1.008 223 G CA 0.510 45.617 45.100 0.013 0.000 0.774 223 G HN 0.300 nan 8.290 nan 0.000 0.511 224 F N -0.337 119.521 119.950 -0.154 0.000 2.390 224 F HA 0.663 5.190 4.527 -0.000 0.000 0.314 224 F C 0.857 176.544 175.800 -0.188 0.000 1.012 224 F CA -0.732 57.111 58.000 -0.260 0.000 1.122 224 F CB 0.961 39.699 39.000 -0.438 0.000 1.829 224 F HN 0.108 nan 8.300 nan 0.000 0.557 225 N N -0.515 118.154 118.700 -0.051 0.000 2.578 225 N HA 0.081 4.821 4.740 -0.000 0.000 0.282 225 N C 0.071 175.497 175.510 -0.141 0.000 1.119 225 N CA -0.194 52.832 53.050 -0.040 0.000 0.948 225 N CB 1.095 39.603 38.487 0.036 0.000 1.546 225 N HN 0.628 nan 8.380 nan 0.000 0.525 226 E N 2.068 122.256 120.200 -0.020 0.000 2.171 226 E HA -0.178 4.172 4.350 -0.000 0.000 0.197 226 E C 0.466 177.025 176.600 -0.069 0.000 0.997 226 E CA 1.736 58.157 56.400 0.036 0.000 0.810 226 E CB 0.274 30.058 29.700 0.142 0.000 0.738 226 E HN 0.501 nan 8.360 nan 0.000 0.467 227 V N -0.906 118.916 119.914 -0.154 0.000 2.922 227 V HA 0.005 4.125 4.120 -0.000 0.000 0.242 227 V C 1.490 177.425 176.094 -0.265 0.000 1.094 227 V CA 0.828 62.932 62.300 -0.327 0.000 1.106 227 V CB -0.197 31.152 31.823 -0.790 0.000 0.799 227 V HN 0.222 nan 8.190 nan 0.000 0.474 228 F N 0.796 120.822 119.950 0.125 0.000 2.694 228 F HA 0.229 4.756 4.527 -0.000 0.000 0.292 228 F C 0.985 176.919 175.800 0.223 0.000 1.121 228 F CA 0.563 58.650 58.000 0.145 0.000 1.352 228 F CB 0.628 39.646 39.000 0.029 0.000 1.107 228 F HN 0.210 nan 8.300 nan 0.000 0.597 229 S N 0.604 116.449 115.700 0.242 0.000 2.592 229 S HA 0.361 4.831 4.470 -0.000 0.000 0.151 229 S C -0.845 173.659 174.600 -0.159 0.000 1.280 229 S CA -0.995 57.288 58.200 0.137 0.000 1.187 229 S CB -0.109 63.089 63.200 -0.003 0.000 1.471 229 S HN 0.177 nan 8.310 nan 0.000 0.409 230 R N 1.546 121.642 120.500 -0.673 0.000 2.308 230 R HA 0.418 4.758 4.340 -0.000 0.000 0.305 230 R C -2.272 173.524 176.300 -0.840 0.000 1.053 230 R CA -1.912 53.501 56.100 -1.145 0.000 0.957 230 R CB -0.275 29.133 30.300 -1.487 0.000 1.022 230 R HN 0.131 nan 8.270 nan 0.000 0.461 231 P HA -0.394 nan 4.420 nan 0.000 0.224 231 P C 1.126 178.062 177.300 -0.606 0.000 1.153 231 P CA 1.971 64.461 63.100 -1.016 0.000 0.947 231 P CB 0.002 30.970 31.700 -1.219 0.000 0.790 232 E N -1.413 118.544 120.200 -0.405 0.000 2.233 232 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 232 E C 1.451 178.098 176.600 0.078 0.000 1.004 232 E CA 1.408 57.751 56.400 -0.094 0.000 0.819 232 E CB -1.298 28.387 29.700 -0.025 0.000 0.738 232 E HN 0.371 nan 8.360 nan 0.000 0.478 233 W N 0.710 121.976 121.300 -0.056 0.000 2.825 233 W HA 0.168 4.828 4.660 -0.000 0.000 0.243 233 W C 2.013 178.537 176.519 0.008 0.000 1.293 233 W CA 0.206 57.553 57.345 0.004 0.000 1.403 233 W CB -0.630 28.831 29.460 0.001 0.000 1.134 233 W HN 0.126 nan 8.180 nan 0.000 0.666 234 M N -0.558 119.090 119.600 0.080 0.000 2.557 234 M HA -0.013 4.467 4.480 -0.000 0.000 0.259 234 M C 0.520 177.017 176.300 0.329 0.000 1.086 234 M CA 1.107 56.440 55.300 0.054 0.000 1.096 234 M CB -0.156 32.279 32.600 -0.276 0.000 1.424 234 M HN -0.325 nan 8.290 nan 0.000 0.488 235 I N 1.989 122.748 120.570 0.315 0.000 2.291 235 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 235 I C -0.392 175.915 176.117 0.316 0.000 1.050 235 I CA -0.510 61.015 61.300 0.375 0.000 1.245 235 I CB 0.732 38.957 38.000 0.375 0.000 1.405 235 I HN 0.081 nan 8.210 nan 0.000 0.478 236 L N 6.747 128.148 121.223 0.297 0.000 2.477 236 L HA 0.127 4.467 4.340 -0.000 0.000 0.272 236 L C 0.963 177.929 176.870 0.160 0.000 1.157 236 L CA 0.274 55.249 54.840 0.225 0.000 0.889 236 L CB 0.394 42.573 42.059 0.199 0.000 1.158 236 L HN 0.659 nan 8.230 nan 0.000 0.473 237 T N 0.818 115.458 114.554 0.143 0.000 3.098 237 T HA 0.030 4.380 4.350 -0.000 0.000 0.246 237 T C 0.080 174.828 174.700 0.080 0.000 0.983 237 T CA 0.176 62.342 62.100 0.109 0.000 1.094 237 T CB 0.444 69.387 68.868 0.124 0.000 1.035 237 T HN 0.662 nan 8.240 nan 0.000 0.456 238 C N 3.054 122.403 119.300 0.083 0.000 2.322 238 C HA 0.793 5.253 4.460 -0.000 0.000 0.324 238 C C -0.805 174.220 174.990 0.059 0.000 1.249 238 C CA -1.301 57.761 59.018 0.073 0.000 1.453 238 C CB -0.701 27.098 27.740 0.098 0.000 2.145 238 C HN 0.437 nan 8.230 nan 0.000 0.466 239 L N 9.719 130.970 121.223 0.047 0.000 2.265 239 L HA 0.584 4.924 4.340 -0.000 0.000 0.288 239 L C -1.987 174.920 176.870 0.062 0.000 1.058 239 L CA -1.696 53.174 54.840 0.050 0.000 0.809 239 L CB 1.241 43.315 42.059 0.026 0.000 1.179 239 L HN 0.536 nan 8.230 nan 0.000 0.429 240 P HA 0.048 nan 4.420 nan 0.000 0.276 240 P C -0.912 176.539 177.300 0.252 0.000 1.243 240 P CA -0.124 63.024 63.100 0.080 0.000 0.768 240 P CB 1.082 32.687 31.700 -0.159 0.000 0.856 241 V N 7.044 127.119 119.914 0.268 0.000 2.320 241 V HA 0.182 4.302 4.120 -0.000 0.000 0.265 241 V C -1.619 174.480 176.094 0.008 0.000 1.048 241 V CA -1.926 60.464 62.300 0.150 0.000 0.865 241 V CB 0.745 32.609 31.823 0.067 0.000 1.043 241 V HN 0.552 nan 8.190 nan 0.000 0.474 242 P HA 0.161 nan 4.420 nan 0.000 0.268 242 P C -2.520 174.536 177.300 -0.408 0.000 1.204 242 P CA -1.094 61.722 63.100 -0.473 0.000 0.768 242 P CB 0.450 32.116 31.700 -0.057 0.000 0.842 243 P HA 0.136 nan 4.420 nan 0.000 0.272 243 P C -2.007 175.172 177.300 -0.203 0.000 1.230 243 P CA -1.626 61.282 63.100 -0.319 0.000 0.788 243 P CB -0.399 31.092 31.700 -0.349 0.000 0.949 244 P HA -0.212 nan 4.420 nan 0.000 0.222 244 P C -1.253 175.984 177.300 -0.105 0.000 1.159 244 P CA 3.024 66.061 63.100 -0.104 0.000 0.920 244 P CB -1.917 29.732 31.700 -0.084 0.000 0.793 245 P HA -0.138 nan 4.420 nan 0.000 0.217 245 P C 1.462 178.709 177.300 -0.088 0.000 1.148 245 P CA 1.242 64.284 63.100 -0.096 0.000 0.834 245 P CB -0.437 31.202 31.700 -0.102 0.000 0.783 246 V N -0.156 119.697 119.914 -0.101 0.000 2.548 246 V HA -0.128 3.992 4.120 -0.000 0.000 0.249 246 V C 1.595 177.649 176.094 -0.068 0.000 1.055 246 V CA 1.617 63.872 62.300 -0.075 0.000 1.065 246 V CB -0.948 30.829 31.823 -0.077 0.000 0.681 246 V HN 0.251 nan 8.190 nan 0.000 0.462 247 R N 0.924 121.377 120.500 -0.079 0.000 2.881 247 R HA 0.318 4.658 4.340 -0.000 0.000 0.331 247 R C -2.868 173.373 176.300 -0.098 0.000 1.207 247 R CA -1.413 54.638 56.100 -0.082 0.000 1.265 247 R CB -0.098 30.162 30.300 -0.067 0.000 1.351 247 R HN 0.274 nan 8.270 nan 0.000 0.613 248 P HA -0.057 nan 4.420 nan 0.000 0.268 248 P C 0.241 177.474 177.300 -0.112 0.000 1.208 248 P CA 0.350 63.392 63.100 -0.097 0.000 0.777 248 P CB 1.356 33.003 31.700 -0.088 0.000 0.875 249 S N 2.635 118.267 115.700 -0.113 0.000 2.401 249 S HA 0.429 4.899 4.470 -0.000 0.000 0.249 249 S C 0.583 175.090 174.600 -0.156 0.000 1.237 249 S CA -0.363 57.760 58.200 -0.129 0.000 1.000 249 S CB -0.009 63.124 63.200 -0.111 0.000 1.013 249 S HN 0.515 nan 8.310 nan 0.000 0.494 250 I N 0.985 121.426 120.570 -0.214 0.000 2.608 250 I HA 0.056 4.226 4.170 -0.000 0.000 0.250 250 I C -0.386 175.355 176.117 -0.626 0.000 1.626 250 I CA -0.294 60.804 61.300 -0.337 0.000 0.913 250 I CB 0.733 38.560 38.000 -0.289 0.000 1.540 250 I HN 0.735 nan 8.210 nan 0.000 0.488 251 S N 1.670 117.093 115.700 -0.462 0.000 2.584 251 S HA 0.483 4.953 4.470 -0.000 0.000 0.270 251 S C -0.340 173.868 174.600 -0.654 0.000 1.346 251 S CA 0.052 57.985 58.200 -0.445 0.000 1.018 251 S CB 0.652 63.748 63.200 -0.174 0.000 0.899 251 S HN 0.312 nan 8.310 nan 0.000 0.542 252 F N 2.040 121.988 119.950 -0.003 0.000 2.471 252 F HA 0.455 4.982 4.527 -0.000 0.000 0.318 252 F C 1.012 176.810 175.800 -0.003 0.000 1.308 252 F CA -0.676 57.322 58.000 -0.003 0.000 1.162 252 F CB -0.628 38.372 39.000 -0.000 0.000 1.383 252 F HN 0.828 nan 8.300 nan 0.000 0.552 253 N N 0.518 119.265 118.700 0.079 0.000 3.524 253 N HA -0.237 4.503 4.740 -0.000 0.000 0.225 253 N C 0.367 175.900 175.510 0.038 0.000 0.435 253 N CA 1.987 55.068 53.050 0.051 0.000 2.223 253 N CB -0.615 37.912 38.487 0.067 0.000 1.577 253 N HN 0.517 nan 8.380 nan 0.000 0.345 254 E N -0.134 120.098 120.200 0.054 0.000 2.989 254 E HA 0.370 4.720 4.350 -0.000 0.000 0.182 254 E C -0.389 176.247 176.600 0.059 0.000 0.730 254 E CA 0.129 56.554 56.400 0.041 0.000 1.204 254 E CB 0.387 30.104 29.700 0.028 0.000 1.863 254 E HN 0.498 nan 8.360 nan 0.000 0.366 255 S N 1.029 116.756 115.700 0.045 0.000 3.366 255 S HA -0.234 4.236 4.470 -0.000 0.000 0.256 255 S C 0.106 174.747 174.600 0.068 0.000 0.525 255 S CA 0.838 59.066 58.200 0.047 0.000 1.853 255 S CB -0.720 62.499 63.200 0.032 0.000 1.078 255 S HN 0.420 nan 8.310 nan 0.000 0.492 256 Q N 1.267 121.124 119.800 0.094 0.000 1.740 256 Q HA 0.543 4.883 4.340 -0.000 0.000 0.236 256 Q C 0.351 176.440 176.000 0.149 0.000 0.473 256 Q CA -0.942 54.944 55.803 0.138 0.000 0.666 256 Q CB 0.932 29.816 28.738 0.244 0.000 1.271 256 Q HN 0.549 nan 8.270 nan 0.000 0.158 257 R N -2.393 118.232 120.500 0.208 0.000 4.513 257 R HA 0.342 4.682 4.340 -0.000 0.000 0.250 257 R C -1.373 175.008 176.300 0.135 0.000 0.900 257 R CA 0.485 56.676 56.100 0.152 0.000 0.654 257 R CB 0.156 30.555 30.300 0.165 0.000 2.010 257 R HN 0.701 nan 8.270 nan 0.000 0.380 258 G N 1.647 110.520 108.800 0.120 0.000 2.334 258 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.222 258 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.222 258 G C -0.700 174.166 174.900 -0.058 0.000 1.077 258 G CA -0.414 44.707 45.100 0.036 0.000 0.861 258 G HN 0.217 nan 8.290 nan 0.000 0.508 259 E N 0.691 120.855 120.200 -0.061 0.000 2.409 259 E HA 0.234 4.584 4.350 -0.000 0.000 0.257 259 E C -0.160 176.186 176.600 -0.423 0.000 1.150 259 E CA -0.161 56.093 56.400 -0.242 0.000 0.942 259 E CB 1.027 30.563 29.700 -0.273 0.000 0.979 259 E HN 0.403 nan 8.360 nan 0.000 0.447 260 D N 0.548 120.686 120.400 -0.437 0.000 2.193 260 D HA 0.024 4.664 4.640 -0.000 0.000 0.249 260 D C 0.305 176.312 176.300 -0.489 0.000 1.034 260 D CA -0.508 53.272 54.000 -0.367 0.000 0.902 260 D CB 1.115 41.792 40.800 -0.205 0.000 1.182 260 D HN 0.094 nan 8.370 nan 0.000 0.436 261 D N 2.407 122.619 120.400 -0.314 0.000 2.157 261 D HA -0.187 4.453 4.640 -0.000 0.000 0.191 261 D C 1.991 178.238 176.300 -0.088 0.000 1.004 261 D CA 1.095 54.985 54.000 -0.183 0.000 0.854 261 D CB 0.074 40.840 40.800 -0.057 0.000 0.936 261 D HN 0.467 nan 8.370 nan 0.000 0.446 262 L N 0.272 121.462 121.223 -0.055 0.000 2.083 262 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 262 L C 2.418 179.310 176.870 0.037 0.000 1.083 262 L CA 1.259 56.137 54.840 0.064 0.000 0.752 262 L CB -0.674 41.434 42.059 0.082 0.000 0.899 262 L HN 0.063 nan 8.230 nan 0.000 0.433 263 T N -0.404 114.105 114.554 -0.075 0.000 2.881 263 T HA -0.158 4.192 4.350 -0.000 0.000 0.270 263 T C 1.655 176.413 174.700 0.096 0.000 1.068 263 T CA 1.304 63.376 62.100 -0.047 0.000 1.131 263 T CB -0.249 68.543 68.868 -0.127 0.000 0.871 263 T HN 0.234 nan 8.240 nan 0.000 0.479 264 F N 0.819 120.757 119.950 -0.020 0.000 2.149 264 F HA 0.045 4.572 4.527 -0.000 0.000 0.294 264 F C 2.473 178.222 175.800 -0.086 0.000 1.095 264 F CA 0.322 58.297 58.000 -0.040 0.000 1.276 264 F CB -0.034 38.950 39.000 -0.025 0.000 1.023 264 F HN -0.048 nan 8.300 nan 0.000 0.480 265 K N 0.801 121.272 120.400 0.119 0.000 2.442 265 K HA -0.092 4.228 4.320 -0.000 0.000 0.198 265 K C 1.674 178.175 176.600 -0.165 0.000 1.044 265 K CA 0.637 56.900 56.287 -0.040 0.000 0.948 265 K CB -0.291 32.245 32.500 0.060 0.000 0.762 265 K HN 0.271 nan 8.250 nan 0.000 0.472 266 L N -1.231 119.915 121.223 -0.128 0.000 2.102 266 L HA -0.005 4.335 4.340 -0.000 0.000 0.202 266 L C 2.242 179.048 176.870 -0.106 0.000 1.076 266 L CA 0.903 55.617 54.840 -0.210 0.000 0.761 266 L CB -0.502 41.462 42.059 -0.159 0.000 0.921 266 L HN 0.148 nan 8.230 nan 0.000 0.444 267 A N 0.284 123.090 122.820 -0.024 0.000 1.917 267 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 267 A C 1.814 179.372 177.584 -0.043 0.000 1.182 267 A CA 2.293 54.328 52.037 -0.004 0.000 0.633 267 A CB -0.627 18.398 19.000 0.043 0.000 0.819 267 A HN 0.375 nan 8.150 nan 0.000 0.448 268 D N 0.002 120.335 120.400 -0.112 0.000 2.087 268 D HA -0.143 4.497 4.640 -0.000 0.000 0.192 268 D C 1.816 178.121 176.300 0.008 0.000 0.993 268 D CA 1.400 55.285 54.000 -0.192 0.000 0.828 268 D CB -0.452 39.899 40.800 -0.749 0.000 0.968 268 D HN 0.516 nan 8.370 nan 0.000 0.448 269 I N 0.101 120.642 120.570 -0.048 0.000 2.151 269 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 269 I C 2.254 178.381 176.117 0.016 0.000 1.080 269 I CA 0.533 61.854 61.300 0.036 0.000 1.339 269 I CB -0.145 37.790 38.000 -0.109 0.000 1.039 269 I HN 0.017 nan 8.210 nan 0.000 0.409 270 L N 0.828 122.035 121.223 -0.027 0.000 1.970 270 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 270 L C 2.467 179.332 176.870 -0.007 0.000 1.071 270 L CA 1.973 56.798 54.840 -0.025 0.000 0.751 270 L CB -0.732 41.314 42.059 -0.022 0.000 0.889 270 L HN 0.099 nan 8.230 nan 0.000 0.432 271 K N -0.998 119.407 120.400 0.009 0.000 1.987 271 K HA -0.223 4.097 4.320 -0.000 0.000 0.216 271 K C 2.033 178.653 176.600 0.033 0.000 1.051 271 K CA 1.735 58.031 56.287 0.015 0.000 0.942 271 K CB -0.660 31.857 32.500 0.029 0.000 0.722 271 K HN 0.409 nan 8.250 nan 0.000 0.444 272 A N 1.472 124.347 122.820 0.090 0.000 1.997 272 A HA -0.312 4.008 4.320 -0.000 0.000 0.221 272 A C 1.935 179.538 177.584 0.032 0.000 1.172 272 A CA 2.334 54.421 52.037 0.083 0.000 0.645 272 A CB -0.810 18.294 19.000 0.173 0.000 0.813 272 A HN 0.396 nan 8.150 nan 0.000 0.454 273 N N -0.153 118.560 118.700 0.021 0.000 2.124 273 N HA -0.044 4.696 4.740 -0.000 0.000 0.188 273 N C 1.565 177.064 175.510 -0.019 0.000 1.045 273 N CA 1.691 54.738 53.050 -0.005 0.000 0.846 273 N CB -0.347 38.129 38.487 -0.019 0.000 1.020 273 N HN 0.459 nan 8.380 nan 0.000 0.432 274 I N 0.138 120.688 120.570 -0.034 0.000 2.143 274 I HA -0.355 3.815 4.170 -0.000 0.000 0.245 274 I C 2.460 178.557 176.117 -0.033 0.000 1.068 274 I CA 1.447 62.717 61.300 -0.050 0.000 1.326 274 I CB -0.947 37.010 38.000 -0.071 0.000 1.028 274 I HN 0.273 nan 8.210 nan 0.000 0.412 275 S N 1.611 117.300 115.700 -0.019 0.000 2.377 275 S HA -0.270 4.200 4.470 -0.000 0.000 0.224 275 S C 2.080 176.676 174.600 -0.007 0.000 1.042 275 S CA 1.975 60.168 58.200 -0.011 0.000 1.086 275 S CB -0.641 62.556 63.200 -0.004 0.000 0.995 275 S HN 0.357 nan 8.310 nan 0.000 0.428 276 L N 2.221 123.441 121.223 -0.005 0.000 1.963 276 L HA -0.156 4.184 4.340 -0.000 0.000 0.220 276 L C 2.652 179.525 176.870 0.005 0.000 1.076 276 L CA 2.892 57.732 54.840 0.000 0.000 0.772 276 L CB -1.197 40.861 42.059 -0.002 0.000 0.892 276 L HN 0.642 nan 8.230 nan 0.000 0.435 277 E N -1.313 118.885 120.200 -0.003 0.000 2.114 277 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 277 E C 1.344 177.956 176.600 0.019 0.000 1.008 277 E CA 1.897 58.296 56.400 -0.001 0.000 0.810 277 E CB -0.207 29.476 29.700 -0.029 0.000 0.739 277 E HN 0.599 nan 8.360 nan 0.000 0.456 278 T N 0.893 115.453 114.554 0.010 0.000 3.361 278 T HA 0.101 4.451 4.350 -0.000 0.000 0.251 278 T C 1.191 175.915 174.700 0.040 0.000 1.131 278 T CA 0.215 62.336 62.100 0.034 0.000 1.001 278 T CB 0.018 68.890 68.868 0.008 0.000 1.003 278 T HN 0.186 nan 8.240 nan 0.000 0.558 279 L N -0.566 120.678 121.223 0.034 0.000 2.878 279 L HA 0.333 4.673 4.340 -0.000 0.000 0.253 279 L C 1.817 178.704 176.870 0.028 0.000 1.135 279 L CA 0.317 55.170 54.840 0.020 0.000 0.943 279 L CB 0.337 42.403 42.059 0.012 0.000 1.307 279 L HN 0.195 nan 8.230 nan 0.000 0.545 280 E N -1.108 119.124 120.200 0.054 0.000 2.476 280 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 280 E C 0.845 177.504 176.600 0.098 0.000 1.021 280 E CA 0.133 56.571 56.400 0.063 0.000 0.907 280 E CB 0.485 30.223 29.700 0.063 0.000 0.974 280 E HN 0.309 nan 8.360 nan 0.000 0.489 281 H N -0.026 119.038 119.070 -0.011 0.000 2.755 281 H HA 0.316 4.872 4.556 -0.000 0.000 0.273 281 H C -0.063 175.254 175.328 -0.019 0.000 1.055 281 H CA 0.076 56.116 56.048 -0.013 0.000 1.191 281 H CB 0.348 30.101 29.762 -0.015 0.000 1.536 281 H HN -0.027 nan 8.280 nan 0.000 0.529 282 N N -1.765 116.923 118.700 -0.021 0.000 3.283 282 N HA 0.291 5.031 4.740 -0.000 0.000 0.338 282 N C -0.320 175.146 175.510 -0.073 0.000 1.517 282 N CA -0.770 52.241 53.050 -0.064 0.000 0.733 282 N CB 0.975 39.450 38.487 -0.021 0.000 1.797 282 N HN 0.131 nan 8.380 nan 0.000 0.637 283 G N 0.163 108.920 108.800 -0.072 0.000 2.369 283 G HA2 0.292 4.252 3.960 -0.000 0.000 0.287 283 G HA3 0.292 4.252 3.960 -0.000 0.000 0.287 283 G C -0.162 174.683 174.900 -0.091 0.000 1.009 283 G CA -0.082 44.967 45.100 -0.086 0.000 1.393 283 G HN 0.524 nan 8.290 nan 0.000 0.432 284 A N 6.009 128.754 122.820 -0.125 0.000 2.922 284 A HA 0.488 4.808 4.320 -0.000 0.000 0.298 284 A C -1.484 175.972 177.584 -0.213 0.000 1.588 284 A CA -1.395 50.567 52.037 -0.126 0.000 1.288 284 A CB 0.231 19.171 19.000 -0.100 0.000 1.130 284 A HN 0.509 nan 8.150 nan 0.000 0.557 285 P HA -0.034 nan 4.420 nan 0.000 0.244 285 P C 0.674 177.954 177.300 -0.033 0.000 1.723 285 P CA 0.094 63.122 63.100 -0.120 0.000 1.110 285 P CB -0.323 31.345 31.700 -0.054 0.000 1.972 286 H N 1.187 120.242 119.070 -0.024 0.000 2.021 286 H HA -0.231 4.325 4.556 -0.000 0.000 0.204 286 H C 0.366 175.885 175.328 0.319 0.000 1.196 286 H CA 2.050 58.115 56.048 0.030 0.000 1.505 286 H CB -1.183 28.428 29.762 -0.252 0.000 1.827 286 H HN 0.616 nan 8.280 nan 0.000 0.737 287 H N -1.170 117.981 119.070 0.134 0.000 2.476 287 H HA 0.640 5.196 4.556 -0.000 0.000 0.256 287 H C 0.731 176.079 175.328 0.035 0.000 1.321 287 H CA 0.329 56.417 56.048 0.067 0.000 1.056 287 H CB 0.375 30.169 29.762 0.055 0.000 1.643 287 H HN 0.486 nan 8.280 nan 0.000 0.541 288 A N -0.393 122.510 122.820 0.139 0.000 2.591 288 A HA 0.238 4.558 4.320 -0.000 0.000 0.204 288 A C 1.574 179.187 177.584 0.048 0.000 1.410 288 A CA -0.098 51.978 52.037 0.065 0.000 1.065 288 A CB 0.191 19.212 19.000 0.034 0.000 1.362 288 A HN 0.330 nan 8.150 nan 0.000 0.566 289 I N 0.838 121.452 120.570 0.073 0.000 2.270 289 I HA -0.146 4.024 4.170 -0.000 0.000 0.239 289 I C 2.478 178.617 176.117 0.037 0.000 1.080 289 I CA 1.530 62.862 61.300 0.053 0.000 1.383 289 I CB -0.166 37.882 38.000 0.080 0.000 1.097 289 I HN 0.587 nan 8.210 nan 0.000 0.420 290 E N 1.201 121.429 120.200 0.047 0.000 2.273 290 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 290 E C 1.478 178.072 176.600 -0.009 0.000 1.002 290 E CA 1.341 57.741 56.400 0.001 0.000 0.828 290 E CB -0.430 29.243 29.700 -0.044 0.000 0.747 290 E HN 0.598 nan 8.360 nan 0.000 0.491 291 E N 0.734 120.937 120.200 0.005 0.000 2.208 291 E HA -0.032 4.318 4.350 -0.000 0.000 0.193 291 E C 1.736 178.322 176.600 -0.023 0.000 0.988 291 E CA 0.862 57.257 56.400 -0.008 0.000 0.828 291 E CB 0.065 29.767 29.700 0.004 0.000 0.763 291 E HN 0.433 nan 8.360 nan 0.000 0.478 292 A N 0.814 123.624 122.820 -0.016 0.000 2.348 292 A HA 0.037 4.357 4.320 -0.000 0.000 0.224 292 A C 1.747 179.316 177.584 -0.025 0.000 1.227 292 A CA -0.068 51.955 52.037 -0.025 0.000 0.885 292 A CB 0.140 19.131 19.000 -0.015 0.000 0.933 292 A HN 0.106 nan 8.150 nan 0.000 0.506 293 E N 0.430 120.618 120.200 -0.021 0.000 2.140 293 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 293 E C 1.850 178.433 176.600 -0.028 0.000 0.973 293 E CA 1.018 57.404 56.400 -0.022 0.000 0.829 293 E CB 0.124 29.810 29.700 -0.023 0.000 0.781 293 E HN 0.648 nan 8.360 nan 0.000 0.466 294 S N 0.683 116.365 115.700 -0.029 0.000 2.515 294 S HA -0.119 4.351 4.470 -0.000 0.000 0.231 294 S C 1.915 176.513 174.600 -0.004 0.000 0.987 294 S CA 0.413 58.604 58.200 -0.016 0.000 0.936 294 S CB -0.113 63.077 63.200 -0.017 0.000 0.766 294 S HN 0.254 nan 8.310 nan 0.000 0.528 295 L N 0.750 121.945 121.223 -0.046 0.000 2.072 295 L HA 0.201 4.541 4.340 -0.000 0.000 0.205 295 L C 2.122 178.943 176.870 -0.081 0.000 1.079 295 L CA 1.249 56.028 54.840 -0.102 0.000 0.752 295 L CB -0.703 41.270 42.059 -0.144 0.000 0.906 295 L HN 0.326 nan 8.230 nan 0.000 0.436 296 L N -0.219 120.983 121.223 -0.035 0.000 1.994 296 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 296 L C 2.600 179.497 176.870 0.045 0.000 1.071 296 L CA 2.122 56.968 54.840 0.010 0.000 0.745 296 L CB -1.036 41.028 42.059 0.007 0.000 0.892 296 L HN 0.505 nan 8.230 nan 0.000 0.431 297 Q N -0.996 118.824 119.800 0.034 0.000 2.152 297 Q HA -0.294 4.046 4.340 -0.000 0.000 0.206 297 Q C 2.036 178.101 176.000 0.108 0.000 0.985 297 Q CA 2.285 58.116 55.803 0.045 0.000 0.863 297 Q CB -0.720 28.026 28.738 0.013 0.000 0.904 297 Q HN 0.556 nan 8.270 nan 0.000 0.422 298 F N -0.246 119.686 119.950 -0.030 0.000 2.039 298 F HA -0.150 4.377 4.527 -0.000 0.000 0.294 298 F C 2.018 177.871 175.800 0.089 0.000 1.130 298 F CA 2.351 60.349 58.000 -0.004 0.000 1.189 298 F CB -0.746 38.204 39.000 -0.084 0.000 0.983 298 F HN 0.263 nan 8.300 nan 0.000 0.471 299 H N -0.978 118.105 119.070 0.021 0.000 2.290 299 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 299 H C 2.248 177.523 175.328 -0.088 0.000 1.087 299 H CA 1.563 57.553 56.048 -0.096 0.000 1.291 299 H CB -0.495 29.288 29.762 0.035 0.000 1.369 299 H HN 0.163 nan 8.280 nan 0.000 0.492 300 V N 0.769 120.745 119.914 0.103 0.000 2.828 300 V HA -0.254 3.866 4.120 -0.000 0.000 0.260 300 V C 2.266 178.391 176.094 0.050 0.000 1.101 300 V CA 1.408 63.748 62.300 0.067 0.000 1.123 300 V CB -0.681 31.169 31.823 0.044 0.000 0.704 300 V HN 0.528 nan 8.190 nan 0.000 0.493 301 A N -1.241 121.571 122.820 -0.015 0.000 1.901 301 A HA -0.078 4.242 4.320 -0.000 0.000 0.210 301 A C 2.343 179.866 177.584 -0.100 0.000 1.208 301 A CA 1.498 53.501 52.037 -0.056 0.000 0.644 301 A CB -0.714 18.267 19.000 -0.032 0.000 0.863 301 A HN 0.368 nan 8.150 nan 0.000 0.454 302 T N -1.174 113.246 114.554 -0.223 0.000 2.803 302 T HA -0.190 4.160 4.350 -0.000 0.000 0.269 302 T C 1.689 176.350 174.700 -0.064 0.000 1.052 302 T CA 1.930 63.869 62.100 -0.269 0.000 1.136 302 T CB -0.421 68.090 68.868 -0.595 0.000 0.864 302 T HN 0.593 nan 8.240 nan 0.000 0.467 303 Y N 0.797 121.016 120.300 -0.135 0.000 2.242 303 Y HA 0.020 4.570 4.550 -0.000 0.000 0.291 303 Y C 2.009 177.873 175.900 -0.061 0.000 1.137 303 Y CA 1.286 59.336 58.100 -0.083 0.000 1.181 303 Y CB -0.245 38.178 38.460 -0.062 0.000 0.989 303 Y HN 0.199 nan 8.280 nan 0.000 0.527 304 M N -0.839 118.676 119.600 -0.141 0.000 2.299 304 M HA 0.039 4.519 4.480 -0.000 0.000 0.264 304 M C -0.074 176.163 176.300 -0.106 0.000 1.095 304 M CA 0.995 56.160 55.300 -0.224 0.000 1.165 304 M CB 0.086 32.575 32.600 -0.185 0.000 1.349 304 M HN 0.054 nan 8.290 nan 0.000 0.446 305 D N 0.049 120.410 120.400 -0.064 0.000 2.780 305 D HA 0.222 4.862 4.640 -0.000 0.000 0.242 305 D C -1.303 174.966 176.300 -0.052 0.000 1.135 305 D CA -0.110 53.868 54.000 -0.037 0.000 0.859 305 D CB 1.542 42.348 40.800 0.009 0.000 1.530 305 D HN -0.038 nan 8.370 nan 0.000 0.493 306 N N 2.241 120.917 118.700 -0.041 0.000 2.387 306 N HA 0.151 4.891 4.740 -0.000 0.000 0.259 306 N C -1.371 174.137 175.510 -0.004 0.000 1.369 306 N CA -0.206 52.823 53.050 -0.035 0.000 0.867 306 N CB 0.560 39.027 38.487 -0.033 0.000 1.341 306 N HN 0.269 nan 8.380 nan 0.000 0.495 307 D N 0.766 121.164 120.400 -0.002 0.000 2.952 307 D HA 0.208 4.848 4.640 -0.000 0.000 0.373 307 D C 0.460 176.770 176.300 0.016 0.000 1.360 307 D CA -0.110 53.895 54.000 0.007 0.000 0.788 307 D CB 1.064 41.859 40.800 -0.008 0.000 1.192 307 D HN 0.281 nan 8.370 nan 0.000 0.462 308 I N 0.223 120.811 120.570 0.030 0.000 3.337 308 I HA 0.201 4.371 4.170 -0.000 0.000 0.246 308 I C 1.893 178.038 176.117 0.046 0.000 1.235 308 I CA -0.379 60.946 61.300 0.042 0.000 0.805 308 I CB 0.477 38.511 38.000 0.057 0.000 1.684 308 I HN -0.026 nan 8.210 nan 0.000 0.868 309 A N 0.671 123.522 122.820 0.053 0.000 1.924 309 A HA 0.199 4.519 4.320 -0.000 0.000 0.211 309 A C 1.580 179.199 177.584 0.059 0.000 1.198 309 A CA 0.729 52.795 52.037 0.049 0.000 0.657 309 A CB -0.881 18.147 19.000 0.046 0.000 0.852 309 A HN 0.811 nan 8.150 nan 0.000 0.454 310 G N 0.287 109.132 108.800 0.075 0.000 2.734 310 G HA2 0.296 4.256 3.960 -0.000 0.000 0.287 310 G HA3 0.296 4.256 3.960 -0.000 0.000 0.287 310 G C 0.497 175.455 174.900 0.095 0.000 0.728 310 G CA 0.027 45.177 45.100 0.083 0.000 1.999 310 G HN 0.574 nan 8.290 nan 0.000 0.535 311 Q N 0.677 120.521 119.800 0.073 0.000 2.308 311 Q HA -0.221 4.119 4.340 -0.000 0.000 0.219 311 Q C -0.937 175.120 176.000 0.095 0.000 1.036 311 Q CA 1.492 57.338 55.803 0.072 0.000 0.973 311 Q CB -1.183 27.585 28.738 0.051 0.000 1.034 311 Q HN 0.471 nan 8.270 nan 0.000 0.422 312 P HA -0.109 nan 4.420 nan 0.000 0.243 312 P C -0.833 176.607 177.300 0.234 0.000 1.134 312 P CA 0.772 63.959 63.100 0.145 0.000 1.109 312 P CB -0.045 31.723 31.700 0.113 0.000 1.140 313 Q N 3.457 123.356 119.800 0.164 0.000 2.938 313 Q HA 0.270 4.610 4.340 -0.000 0.000 0.343 313 Q C 0.178 176.285 176.000 0.178 0.000 1.185 313 Q CA -0.553 55.340 55.803 0.149 0.000 0.939 313 Q CB -0.654 28.137 28.738 0.089 0.000 1.480 313 Q HN 0.508 nan 8.270 nan 0.000 0.442 314 A N 1.883 124.899 122.820 0.326 0.000 1.708 314 A HA -0.188 4.132 4.320 -0.000 0.000 0.237 314 A C 0.056 177.752 177.584 0.188 0.000 1.162 314 A CA 0.507 52.756 52.037 0.353 0.000 0.778 314 A CB -1.496 17.672 19.000 0.281 0.000 1.127 314 A HN 0.688 nan 8.150 nan 0.000 0.305 315 L N -0.117 121.196 121.223 0.150 0.000 2.464 315 L HA 0.376 4.716 4.340 -0.000 0.000 0.264 315 L C 0.850 177.782 176.870 0.103 0.000 1.199 315 L CA -0.409 54.493 54.840 0.103 0.000 0.818 315 L CB 0.291 42.397 42.059 0.078 0.000 1.102 315 L HN 0.721 nan 8.230 nan 0.000 0.473 316 Q N 0.876 120.729 119.800 0.087 0.000 2.215 316 Q HA 0.246 4.586 4.340 -0.000 0.000 0.256 316 Q C -0.787 175.252 176.000 0.064 0.000 0.972 316 Q CA -0.973 54.883 55.803 0.087 0.000 0.889 316 Q CB 1.511 30.318 28.738 0.116 0.000 1.281 316 Q HN 0.538 nan 8.270 nan 0.000 0.456 317 K N 1.384 121.811 120.400 0.045 0.000 2.364 317 K HA -0.107 4.212 4.320 -0.000 0.000 0.265 317 K C -0.092 176.531 176.600 0.038 0.000 1.189 317 K CA 0.923 57.225 56.287 0.026 0.000 1.224 317 K CB -0.409 32.089 32.500 -0.003 0.000 0.813 317 K HN 0.830 nan 8.250 nan 0.000 0.490 318 S N 0.715 116.435 115.700 0.033 0.000 1.934 318 S HA -0.104 4.366 4.470 -0.000 0.000 0.250 318 S C 1.223 175.843 174.600 0.033 0.000 1.384 318 S CA 0.564 58.782 58.200 0.031 0.000 1.104 318 S CB -2.097 61.125 63.200 0.037 0.000 1.409 318 S HN 1.817 nan 8.310 nan 0.000 0.645 319 G N 1.709 110.533 108.800 0.039 0.000 2.268 319 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.240 319 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.240 319 G C -0.009 174.917 174.900 0.043 0.000 1.010 319 G CA 0.406 45.529 45.100 0.039 0.000 0.618 319 G HN 0.877 nan 8.290 nan 0.000 0.516 320 R N 1.796 122.322 120.500 0.044 0.000 2.458 320 R HA 0.207 4.546 4.340 -0.000 0.000 0.303 320 R C -0.900 175.431 176.300 0.052 0.000 1.013 320 R CA -0.718 55.408 56.100 0.043 0.000 1.026 320 R CB 0.475 30.802 30.300 0.045 0.000 0.948 320 R HN 0.151 nan 8.270 nan 0.000 0.417 321 P HA -0.217 nan 4.420 nan 0.000 0.218 321 P C -0.350 176.981 177.300 0.052 0.000 1.154 321 P CA 1.036 64.166 63.100 0.049 0.000 0.872 321 P CB 0.134 31.855 31.700 0.034 0.000 0.790 322 V N -2.327 117.613 119.914 0.044 0.000 3.161 322 V HA -0.132 3.988 4.120 -0.000 0.000 0.456 322 V C -0.630 175.474 176.094 0.016 0.000 0.682 322 V CA -0.364 61.961 62.300 0.043 0.000 1.992 322 V CB -0.748 31.113 31.823 0.065 0.000 2.464 322 V HN 0.102 nan 8.190 nan 0.000 0.494 323 K N 5.422 125.823 120.400 0.001 0.000 2.412 323 K HA 0.473 4.793 4.320 -0.000 0.000 0.284 323 K C 0.463 177.043 176.600 -0.033 0.000 1.046 323 K CA 0.884 57.159 56.287 -0.021 0.000 0.999 323 K CB 0.728 33.209 32.500 -0.032 0.000 0.941 323 K HN 0.921 nan 8.250 nan 0.000 0.474 324 S N 2.384 118.054 115.700 -0.050 0.000 2.610 324 S HA 0.285 4.755 4.470 -0.000 0.000 0.273 324 S C 1.463 175.991 174.600 -0.120 0.000 1.274 324 S CA -0.898 57.252 58.200 -0.083 0.000 1.023 324 S CB 0.716 63.871 63.200 -0.075 0.000 0.962 324 S HN 0.507 nan 8.310 nan 0.000 0.523 325 I N 0.825 121.277 120.570 -0.197 0.000 2.185 325 I HA -0.269 3.901 4.170 -0.000 0.000 0.246 325 I C 2.873 178.905 176.117 -0.142 0.000 1.088 325 I CA 1.762 62.949 61.300 -0.188 0.000 1.347 325 I CB -0.395 37.441 38.000 -0.272 0.000 1.041 325 I HN 0.780 nan 8.210 nan 0.000 0.415 326 R N 1.351 121.769 120.500 -0.137 0.000 2.159 326 R HA -0.183 4.156 4.340 -0.000 0.000 0.237 326 R C 2.290 178.515 176.300 -0.126 0.000 1.131 326 R CA 1.471 57.482 56.100 -0.148 0.000 0.982 326 R CB -0.188 30.039 30.300 -0.121 0.000 0.868 326 R HN 0.380 nan 8.270 nan 0.000 0.453 327 A N 1.136 123.898 122.820 -0.098 0.000 1.930 327 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 327 A C 2.062 179.598 177.584 -0.079 0.000 1.175 327 A CA 1.120 53.109 52.037 -0.080 0.000 0.627 327 A CB -0.390 18.574 19.000 -0.061 0.000 0.815 327 A HN 0.351 nan 8.150 nan 0.000 0.443 328 R N -0.383 120.068 120.500 -0.082 0.000 2.139 328 R HA -0.110 4.230 4.340 -0.000 0.000 0.243 328 R C 1.521 177.776 176.300 -0.075 0.000 1.145 328 R CA 1.547 57.603 56.100 -0.073 0.000 0.976 328 R CB -0.463 29.793 30.300 -0.073 0.000 0.866 328 R HN 0.565 nan 8.270 nan 0.000 0.449 329 L N -0.017 121.148 121.223 -0.096 0.000 2.554 329 L HA 0.160 4.499 4.340 -0.000 0.000 0.225 329 L C 0.875 177.683 176.870 -0.103 0.000 1.104 329 L CA -0.126 54.653 54.840 -0.101 0.000 0.866 329 L CB -0.136 41.844 42.059 -0.132 0.000 1.047 329 L HN -0.033 nan 8.230 nan 0.000 0.468 330 K N 1.983 122.320 120.400 -0.104 0.000 2.489 330 K HA 0.156 4.476 4.320 -0.000 0.000 0.278 330 K C 0.764 177.316 176.600 -0.081 0.000 1.000 330 K CA 0.129 56.355 56.287 -0.101 0.000 1.012 330 K CB 0.629 33.071 32.500 -0.096 0.000 0.903 330 K HN 0.127 nan 8.250 nan 0.000 0.485 331 G N 3.684 112.434 108.800 -0.085 0.000 2.552 331 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.228 331 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.228 331 G C -0.669 174.202 174.900 -0.049 0.000 1.150 331 G CA 0.452 45.513 45.100 -0.065 0.000 0.857 331 G HN 0.929 nan 8.290 nan 0.000 0.512 332 K N 1.453 121.837 120.400 -0.027 0.000 7.247 332 K HA -0.270 4.050 4.320 -0.000 0.000 0.645 332 K C 0.932 177.516 176.600 -0.026 0.000 2.569 332 K CA 1.116 57.392 56.287 -0.019 0.000 1.924 332 K CB -0.058 32.428 32.500 -0.022 0.000 1.930 332 K HN 0.954 nan 8.250 nan 0.000 0.292 333 E N -1.446 118.743 120.200 -0.019 0.000 4.205 333 E HA -0.228 4.122 4.350 -0.000 0.000 0.310 333 E C 0.820 177.403 176.600 -0.028 0.000 0.654 333 E CA 1.964 58.351 56.400 -0.022 0.000 1.279 333 E CB -1.803 27.882 29.700 -0.025 0.000 1.720 333 E HN 0.869 nan 8.360 nan 0.000 0.403 334 G N 0.481 109.261 108.800 -0.034 0.000 2.712 334 G HA2 0.116 4.076 3.960 -0.000 0.000 0.258 334 G HA3 0.116 4.076 3.960 -0.000 0.000 0.258 334 G C 0.799 175.678 174.900 -0.036 0.000 1.241 334 G CA 0.566 45.640 45.100 -0.042 0.000 0.923 334 G HN 0.136 nan 8.290 nan 0.000 0.548 335 R N -0.772 119.702 120.500 -0.042 0.000 2.062 335 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 335 R C 2.526 178.810 176.300 -0.027 0.000 1.136 335 R CA 1.102 57.181 56.100 -0.034 0.000 0.948 335 R CB -0.648 29.629 30.300 -0.039 0.000 0.845 335 R HN 0.469 nan 8.270 nan 0.000 0.430 336 I N 0.811 121.362 120.570 -0.032 0.000 2.072 336 I HA -0.225 3.945 4.170 -0.000 0.000 0.235 336 I C 2.442 178.553 176.117 -0.010 0.000 1.058 336 I CA 1.552 62.839 61.300 -0.021 0.000 1.320 336 I CB -1.086 36.897 38.000 -0.028 0.000 1.047 336 I HN 0.289 nan 8.210 nan 0.000 0.397 337 R N 0.203 120.698 120.500 -0.009 0.000 2.120 337 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 337 R C 1.904 178.204 176.300 0.000 0.000 1.123 337 R CA 1.498 57.600 56.100 0.004 0.000 0.975 337 R CB -0.375 29.930 30.300 0.008 0.000 0.866 337 R HN 0.501 nan 8.270 nan 0.000 0.446 338 G N -1.361 107.434 108.800 -0.008 0.000 3.159 338 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.232 338 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.232 338 G C 0.789 175.684 174.900 -0.007 0.000 1.116 338 G CA -0.227 44.869 45.100 -0.007 0.000 0.767 338 G HN 0.209 nan 8.290 nan 0.000 0.547 339 N N -0.513 118.181 118.700 -0.009 0.000 2.325 339 N HA 0.201 4.941 4.740 -0.000 0.000 0.220 339 N C 1.579 177.085 175.510 -0.007 0.000 1.176 339 N CA 0.099 53.144 53.050 -0.009 0.000 0.861 339 N CB 0.775 39.255 38.487 -0.013 0.000 1.230 339 N HN 0.223 nan 8.380 nan 0.000 0.479 340 L N 0.002 121.221 121.223 -0.007 0.000 2.515 340 L HA 0.269 4.609 4.340 -0.000 0.000 0.202 340 L C 1.428 178.295 176.870 -0.006 0.000 1.056 340 L CA 0.263 55.100 54.840 -0.006 0.000 0.847 340 L CB -0.096 41.960 42.059 -0.004 0.000 1.131 340 L HN -0.072 nan 8.230 nan 0.000 0.484 341 M N 0.335 119.934 119.600 -0.002 0.000 2.659 341 M HA 0.275 4.755 4.480 -0.000 0.000 0.243 341 M C 0.571 176.868 176.300 -0.005 0.000 1.111 341 M CA 0.229 55.528 55.300 -0.001 0.000 1.070 341 M CB -0.971 31.635 32.600 0.010 0.000 1.525 341 M HN 0.213 nan 8.290 nan 0.000 0.517 342 G N 0.985 109.782 108.800 -0.006 0.000 2.633 342 G HA2 0.517 4.477 3.960 -0.000 0.000 0.299 342 G HA3 0.517 4.477 3.960 -0.000 0.000 0.299 342 G C -1.268 173.630 174.900 -0.003 0.000 1.501 342 G CA -0.957 44.139 45.100 -0.006 0.000 0.887 342 G HN 0.256 nan 8.290 nan 0.000 0.561 343 K N 0.189 120.588 120.400 -0.001 0.000 2.578 343 K HA 0.655 4.975 4.320 -0.000 0.000 0.287 343 K C -0.553 176.059 176.600 0.019 0.000 1.010 343 K CA -1.289 55.002 56.287 0.006 0.000 0.889 343 K CB 1.776 34.278 32.500 0.003 0.000 1.514 343 K HN 0.594 nan 8.250 nan 0.000 0.424 344 R N 0.574 121.089 120.500 0.025 0.000 2.582 344 R HA 0.482 4.822 4.340 -0.000 0.000 0.271 344 R C 0.111 176.442 176.300 0.051 0.000 1.078 344 R CA -0.846 55.278 56.100 0.041 0.000 1.127 344 R CB 0.821 31.139 30.300 0.030 0.000 1.038 344 R HN 0.553 nan 8.270 nan 0.000 0.500 345 V N -2.401 117.562 119.914 0.081 0.000 3.114 345 V HA 0.385 4.505 4.120 -0.000 0.000 0.308 345 V C -0.786 175.379 176.094 0.118 0.000 1.168 345 V CA -1.324 61.036 62.300 0.100 0.000 1.015 345 V CB 2.300 34.192 31.823 0.116 0.000 1.050 345 V HN 0.569 nan 8.190 nan 0.000 0.433 346 D N 0.965 121.445 120.400 0.134 0.000 2.371 346 D HA 0.437 5.077 4.640 -0.000 0.000 0.242 346 D C 0.052 176.492 176.300 0.234 0.000 1.218 346 D CA 0.358 54.410 54.000 0.087 0.000 0.945 346 D CB 0.133 40.998 40.800 0.107 0.000 1.137 346 D HN 0.750 nan 8.370 nan 0.000 0.464 347 F N -0.655 119.346 119.950 0.084 0.000 2.797 347 F HA -0.252 4.275 4.527 -0.000 0.000 0.273 347 F C 0.272 176.145 175.800 0.122 0.000 1.020 347 F CA 0.196 58.257 58.000 0.102 0.000 0.961 347 F CB -1.933 37.131 39.000 0.107 0.000 1.020 347 F HN 0.164 nan 8.300 nan 0.000 0.840 348 S N -0.831 114.958 115.700 0.149 0.000 2.579 348 S HA 1.008 5.478 4.470 -0.000 0.000 0.272 348 S C -0.577 174.045 174.600 0.037 0.000 1.141 348 S CA -0.427 57.813 58.200 0.066 0.000 0.843 348 S CB 2.589 65.841 63.200 0.088 0.000 1.122 348 S HN 1.378 nan 8.310 nan 0.000 0.468 349 A N 1.047 123.882 122.820 0.024 0.000 2.594 349 A HA 0.915 5.235 4.320 -0.000 0.000 0.295 349 A C -0.924 176.792 177.584 0.221 0.000 1.071 349 A CA -0.856 51.259 52.037 0.130 0.000 0.685 349 A CB 1.787 20.911 19.000 0.206 0.000 1.285 349 A HN 1.055 nan 8.150 nan 0.000 0.405 350 R N 0.399 121.045 120.500 0.245 0.000 2.584 350 R HA 0.726 5.066 4.340 -0.000 0.000 0.276 350 R C -1.114 175.338 176.300 0.253 0.000 1.046 350 R CA 0.465 56.755 56.100 0.317 0.000 0.906 350 R CB 2.042 32.417 30.300 0.127 0.000 1.215 350 R HN 1.439 nan 8.270 nan 0.000 0.449 351 T N -1.060 113.709 114.554 0.357 0.000 2.718 351 T HA 0.289 4.639 4.350 -0.000 0.000 0.306 351 T C -0.614 174.184 174.700 0.164 0.000 1.485 351 T CA -0.721 61.426 62.100 0.079 0.000 0.997 351 T CB 0.967 69.709 68.868 -0.210 0.000 1.504 351 T HN 0.211 nan 8.240 nan 0.000 0.497 352 V N 1.959 121.914 119.914 0.069 0.000 2.901 352 V HA 0.322 4.442 4.120 -0.000 0.000 0.307 352 V C 0.811 176.995 176.094 0.150 0.000 1.084 352 V CA 0.048 62.407 62.300 0.097 0.000 1.184 352 V CB -0.259 31.593 31.823 0.047 0.000 0.941 352 V HN 0.884 nan 8.190 nan 0.000 0.493 353 I N 1.239 121.930 120.570 0.202 0.000 2.797 353 I HA 0.951 5.121 4.170 -0.000 0.000 0.307 353 I C -0.256 175.937 176.117 0.127 0.000 1.033 353 I CA -0.460 60.986 61.300 0.243 0.000 1.071 353 I CB 2.462 40.670 38.000 0.346 0.000 1.255 353 I HN 0.646 nan 8.210 nan 0.000 0.445 354 S N 1.827 117.421 115.700 -0.177 0.000 2.562 354 S HA 0.643 5.113 4.470 -0.000 0.000 0.274 354 S C -0.216 173.780 174.600 -1.006 0.000 1.160 354 S CA -0.653 57.014 58.200 -0.889 0.000 0.933 354 S CB 0.869 63.792 63.200 -0.462 0.000 1.100 354 S HN 1.214 nan 8.310 nan 0.000 0.468 355 G N 0.574 108.265 108.800 -1.848 0.000 2.664 355 G HA2 0.438 4.398 3.960 -0.000 0.000 0.242 355 G HA3 0.438 4.398 3.960 -0.000 0.000 0.242 355 G C -0.816 173.913 174.900 -0.285 0.000 1.225 355 G CA 0.002 44.757 45.100 -0.575 0.000 0.849 355 G HN 0.786 nan 8.290 nan 0.000 0.581 356 D N 0.637 120.981 120.400 -0.094 0.000 2.375 356 D HA 0.195 4.835 4.640 -0.000 0.000 0.241 356 D C -2.025 174.273 176.300 -0.004 0.000 1.361 356 D CA -1.244 52.719 54.000 -0.061 0.000 0.995 356 D CB 2.172 42.940 40.800 -0.054 0.000 1.312 356 D HN 0.136 nan 8.370 nan 0.000 0.576 357 P HA 0.034 nan 4.420 nan 0.000 0.261 357 P C 0.218 177.526 177.300 0.013 0.000 1.297 357 P CA 0.259 63.365 63.100 0.010 0.000 0.757 357 P CB 0.304 31.995 31.700 -0.015 0.000 1.149 358 N N -0.917 117.801 118.700 0.030 0.000 2.143 358 N HA 0.187 4.926 4.740 -0.000 0.000 0.222 358 N C 0.388 175.938 175.510 0.067 0.000 1.264 358 N CA -0.066 53.022 53.050 0.063 0.000 0.897 358 N CB 0.915 39.450 38.487 0.080 0.000 1.092 358 N HN 0.227 nan 8.380 nan 0.000 0.516 359 L N 1.176 122.429 121.223 0.051 0.000 2.375 359 L HA 0.316 4.656 4.340 -0.000 0.000 0.268 359 L C 0.632 177.540 176.870 0.063 0.000 1.058 359 L CA -0.702 54.167 54.840 0.048 0.000 0.803 359 L CB 1.041 43.117 42.059 0.029 0.000 1.212 359 L HN -0.165 nan 8.230 nan 0.000 0.451 360 E N 0.978 121.215 120.200 0.061 0.000 2.366 360 E HA 0.012 4.362 4.350 -0.000 0.000 0.266 360 E C 0.740 177.379 176.600 0.066 0.000 1.051 360 E CA -0.259 56.182 56.400 0.067 0.000 0.884 360 E CB 1.147 30.881 29.700 0.056 0.000 1.006 360 E HN 0.429 nan 8.360 nan 0.000 0.417 361 L N 2.890 124.143 121.223 0.051 0.000 2.054 361 L HA -0.284 4.056 4.340 -0.000 0.000 0.220 361 L C 1.397 178.295 176.870 0.047 0.000 1.081 361 L CA 2.573 57.409 54.840 -0.006 0.000 0.780 361 L CB -0.323 41.640 42.059 -0.160 0.000 0.893 361 L HN 0.582 nan 8.230 nan 0.000 0.438 362 D N -1.923 118.499 120.400 0.037 0.000 2.328 362 D HA -0.025 4.615 4.640 -0.000 0.000 0.221 362 D C 0.686 177.090 176.300 0.172 0.000 1.072 362 D CA -0.024 54.012 54.000 0.060 0.000 0.850 362 D CB -0.186 40.592 40.800 -0.038 0.000 0.922 362 D HN 0.553 nan 8.370 nan 0.000 0.516 363 Q N -0.349 119.536 119.800 0.143 0.000 2.189 363 Q HA 0.511 4.851 4.340 -0.000 0.000 0.193 363 Q C -0.771 175.233 176.000 0.007 0.000 1.034 363 Q CA -0.913 54.937 55.803 0.078 0.000 1.062 363 Q CB 2.350 31.106 28.738 0.030 0.000 1.118 363 Q HN 0.022 nan 8.270 nan 0.000 0.569 364 V N 0.107 119.940 119.914 -0.135 0.000 2.663 364 V HA 0.364 4.484 4.120 -0.000 0.000 0.286 364 V C -0.813 175.153 176.094 -0.213 0.000 1.085 364 V CA -0.383 61.691 62.300 -0.376 0.000 0.916 364 V CB 1.272 32.630 31.823 -0.775 0.000 1.039 364 V HN 0.816 nan 8.190 nan 0.000 0.453 365 G N 5.565 114.286 108.800 -0.131 0.000 2.298 365 G HA2 0.440 4.400 3.960 -0.000 0.000 0.263 365 G HA3 0.440 4.400 3.960 -0.000 0.000 0.263 365 G C -0.434 174.459 174.900 -0.012 0.000 1.229 365 G CA 0.044 45.111 45.100 -0.056 0.000 0.976 365 G HN 0.909 nan 8.290 nan 0.000 0.459 366 V N 6.660 126.562 119.914 -0.021 0.000 2.384 366 V HA 0.302 4.422 4.120 -0.000 0.000 0.287 366 V C -1.801 174.232 176.094 -0.102 0.000 1.020 366 V CA -1.741 60.555 62.300 -0.006 0.000 0.850 366 V CB 2.096 33.940 31.823 0.034 0.000 0.987 366 V HN 0.640 nan 8.190 nan 0.000 0.436 367 P HA 0.010 nan 4.420 nan 0.000 0.264 367 P C 0.606 177.791 177.300 -0.191 0.000 1.193 367 P CA 0.118 63.102 63.100 -0.192 0.000 0.763 367 P CB 0.845 32.397 31.700 -0.247 0.000 0.810 368 K N 3.523 123.789 120.400 -0.223 0.000 2.089 368 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 368 K C 2.023 178.484 176.600 -0.232 0.000 1.048 368 K CA 2.400 58.504 56.287 -0.305 0.000 0.926 368 K CB -0.448 31.862 32.500 -0.317 0.000 0.714 368 K HN 0.479 nan 8.250 nan 0.000 0.448 369 S N 0.508 116.104 115.700 -0.174 0.000 2.370 369 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 369 S C 2.001 176.553 174.600 -0.079 0.000 1.033 369 S CA 1.485 59.614 58.200 -0.119 0.000 1.011 369 S CB -0.484 62.651 63.200 -0.108 0.000 0.852 369 S HN 0.421 nan 8.310 nan 0.000 0.457 370 I N 1.850 122.365 120.570 -0.092 0.000 2.353 370 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 370 I C 3.060 179.192 176.117 0.025 0.000 1.119 370 I CA 0.930 62.209 61.300 -0.035 0.000 1.417 370 I CB -0.675 37.290 38.000 -0.060 0.000 1.078 370 I HN 0.461 nan 8.210 nan 0.000 0.421 371 A N 0.722 123.531 122.820 -0.017 0.000 1.978 371 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 371 A C 2.194 179.892 177.584 0.191 0.000 1.170 371 A CA 1.471 53.543 52.037 0.058 0.000 0.636 371 A CB -0.376 18.573 19.000 -0.085 0.000 0.810 371 A HN 0.329 nan 8.150 nan 0.000 0.448 372 K N -0.920 119.540 120.400 0.100 0.000 2.459 372 K HA 0.019 4.339 4.320 -0.000 0.000 0.193 372 K C 1.267 178.072 176.600 0.341 0.000 1.030 372 K CA 1.163 57.588 56.287 0.230 0.000 1.026 372 K CB 0.059 32.542 32.500 -0.027 0.000 0.809 372 K HN 0.519 nan 8.250 nan 0.000 0.504 373 T N 0.958 115.624 114.554 0.187 0.000 2.988 373 T HA 0.134 4.484 4.350 -0.000 0.000 0.240 373 T C 0.770 175.538 174.700 0.114 0.000 1.014 373 T CA -0.005 62.161 62.100 0.110 0.000 1.155 373 T CB 0.121 69.018 68.868 0.049 0.000 0.872 373 T HN -0.009 nan 8.240 nan 0.000 0.440 374 L N 2.177 123.491 121.223 0.151 0.000 2.455 374 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 374 L C 0.515 177.555 176.870 0.282 0.000 1.174 374 L CA 0.032 55.001 54.840 0.215 0.000 0.869 374 L CB 0.559 42.754 42.059 0.225 0.000 1.130 374 L HN 0.171 nan 8.230 nan 0.000 0.474 375 T N 1.851 116.648 114.554 0.405 0.000 2.907 375 T HA 0.516 4.866 4.350 -0.000 0.000 0.290 375 T C -1.595 173.324 174.700 0.364 0.000 1.066 375 T CA -0.420 61.888 62.100 0.346 0.000 1.012 375 T CB 1.252 70.288 68.868 0.281 0.000 1.184 375 T HN 0.366 nan 8.240 nan 0.000 0.522 376 Y N 3.319 123.677 120.300 0.098 0.000 2.406 376 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 376 Y C -2.556 173.342 175.900 -0.003 0.000 0.975 376 Y CA -2.518 55.584 58.100 0.005 0.000 1.056 376 Y CB 2.398 40.868 38.460 0.017 0.000 1.210 376 Y HN 0.339 nan 8.280 nan 0.000 0.448 377 P HA 0.126 nan 4.420 nan 0.000 0.251 377 P C -0.928 176.017 177.300 -0.591 0.000 1.718 377 P CA 0.031 62.828 63.100 -0.504 0.000 1.119 377 P CB 0.601 32.043 31.700 -0.430 0.000 1.762 378 E N 2.399 122.469 120.200 -0.218 0.000 2.301 378 E HA 0.305 4.655 4.350 -0.000 0.000 0.275 378 E C -0.619 175.987 176.600 0.011 0.000 1.030 378 E CA -0.775 55.630 56.400 0.008 0.000 0.852 378 E CB 1.031 30.852 29.700 0.202 0.000 1.060 378 E HN 0.091 nan 8.360 nan 0.000 0.401 379 V N 4.338 124.274 119.914 0.037 0.000 2.481 379 V HA 0.142 4.262 4.120 -0.000 0.000 0.286 379 V C -0.167 175.965 176.094 0.065 0.000 1.042 379 V CA -0.869 61.458 62.300 0.045 0.000 0.928 379 V CB 1.611 33.454 31.823 0.033 0.000 0.986 379 V HN 0.528 nan 8.190 nan 0.000 0.462 380 V N 4.678 124.639 119.914 0.080 0.000 2.450 380 V HA 0.212 4.332 4.120 -0.000 0.000 0.281 380 V C 0.546 176.685 176.094 0.076 0.000 1.019 380 V CA 0.535 62.867 62.300 0.053 0.000 1.062 380 V CB 0.312 32.142 31.823 0.012 0.000 0.979 380 V HN 1.034 nan 8.190 nan 0.000 0.477 381 T N 8.203 122.793 114.554 0.059 0.000 2.893 381 T HA 0.385 4.735 4.350 -0.000 0.000 0.291 381 T C -1.683 173.081 174.700 0.105 0.000 1.028 381 T CA -1.100 61.002 62.100 0.005 0.000 0.995 381 T CB 2.326 71.055 68.868 -0.231 0.000 1.051 381 T HN 0.411 nan 8.240 nan 0.000 0.470 382 P HA -0.151 nan 4.420 nan 0.000 0.222 382 P C 0.828 178.263 177.300 0.225 0.000 1.142 382 P CA 1.392 64.703 63.100 0.352 0.000 0.788 382 P CB -0.019 31.726 31.700 0.075 0.000 0.767 383 Y N 1.222 121.591 120.300 0.115 0.000 2.314 383 Y HA -0.114 4.436 4.550 -0.000 0.000 0.293 383 Y C 1.770 177.706 175.900 0.061 0.000 1.129 383 Y CA 0.780 58.921 58.100 0.068 0.000 1.201 383 Y CB -0.653 37.837 38.460 0.051 0.000 0.999 383 Y HN 0.208 nan 8.280 nan 0.000 0.541 384 N N -1.676 117.134 118.700 0.184 0.000 2.194 384 N HA 0.021 4.761 4.740 -0.000 0.000 0.231 384 N C 0.962 176.505 175.510 0.054 0.000 1.247 384 N CA -0.063 53.055 53.050 0.114 0.000 0.884 384 N CB -0.468 38.087 38.487 0.112 0.000 1.146 384 N HN 0.082 nan 8.380 nan 0.000 0.516 385 I N 1.643 122.230 120.570 0.028 0.000 2.151 385 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 385 I C 0.937 177.029 176.117 -0.042 0.000 1.080 385 I CA 1.637 62.898 61.300 -0.065 0.000 1.339 385 I CB -0.426 37.470 38.000 -0.174 0.000 1.039 385 I HN 0.254 nan 8.210 nan 0.000 0.409 386 D N -0.235 120.161 120.400 -0.008 0.000 2.077 386 D HA -0.230 4.410 4.640 -0.000 0.000 0.193 386 D C 2.172 178.474 176.300 0.003 0.000 0.989 386 D CA 1.230 55.227 54.000 -0.005 0.000 0.831 386 D CB -0.406 40.400 40.800 0.010 0.000 0.979 386 D HN 0.317 nan 8.370 nan 0.000 0.449 387 R N 0.813 121.325 120.500 0.019 0.000 2.112 387 R HA -0.157 4.183 4.340 -0.000 0.000 0.242 387 R C 2.641 178.953 176.300 0.019 0.000 1.137 387 R CA 1.150 57.262 56.100 0.021 0.000 0.944 387 R CB -0.472 29.848 30.300 0.034 0.000 0.857 387 R HN 0.153 nan 8.270 nan 0.000 0.435 388 L N -0.126 121.112 121.223 0.025 0.000 2.046 388 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 388 L C 2.457 179.336 176.870 0.015 0.000 1.077 388 L CA 1.933 56.789 54.840 0.027 0.000 0.747 388 L CB -0.617 41.462 42.059 0.034 0.000 0.896 388 L HN 0.363 nan 8.230 nan 0.000 0.432 389 T N -1.482 113.070 114.554 -0.003 0.000 2.788 389 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 389 T C 1.787 176.485 174.700 -0.002 0.000 1.044 389 T CA 1.294 63.388 62.100 -0.009 0.000 1.139 389 T CB -0.173 68.675 68.868 -0.033 0.000 0.867 389 T HN 0.187 nan 8.240 nan 0.000 0.454 390 Q N 1.048 120.847 119.800 -0.002 0.000 2.050 390 Q HA 0.016 4.356 4.340 -0.000 0.000 0.202 390 Q C 2.097 178.098 176.000 0.002 0.000 0.980 390 Q CA 1.488 57.290 55.803 -0.002 0.000 0.840 390 Q CB -0.736 28.000 28.738 -0.003 0.000 0.898 390 Q HN 0.536 nan 8.270 nan 0.000 0.424 391 L N -1.042 120.186 121.223 0.007 0.000 2.017 391 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 391 L C 2.347 179.226 176.870 0.015 0.000 1.073 391 L CA 0.955 55.804 54.840 0.014 0.000 0.745 391 L CB -0.655 41.418 42.059 0.023 0.000 0.894 391 L HN 0.080 nan 8.230 nan 0.000 0.432 392 V N -0.042 119.880 119.914 0.013 0.000 2.255 392 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 392 V C 2.724 178.821 176.094 0.004 0.000 1.051 392 V CA 2.093 64.399 62.300 0.010 0.000 1.018 392 V CB -0.626 31.213 31.823 0.026 0.000 0.641 392 V HN 0.454 nan 8.190 nan 0.000 0.445 393 R N -0.068 120.435 120.500 0.005 0.000 2.096 393 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 393 R C 2.292 178.592 176.300 0.000 0.000 1.127 393 R CA 1.720 57.821 56.100 0.002 0.000 0.968 393 R CB -0.403 29.897 30.300 -0.000 0.000 0.861 393 R HN 0.575 nan 8.270 nan 0.000 0.440 394 N N -0.145 118.557 118.700 0.003 0.000 2.069 394 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 394 N C 0.532 176.047 175.510 0.009 0.000 1.031 394 N CA 1.673 54.725 53.050 0.004 0.000 0.852 394 N CB 0.071 38.560 38.487 0.003 0.000 1.018 394 N HN 0.425 nan 8.380 nan 0.000 0.423 395 G N -0.732 108.078 108.800 0.016 0.000 2.515 395 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.686 395 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.686 395 G C -2.554 172.389 174.900 0.071 0.000 1.274 395 G CA -0.271 44.837 45.100 0.014 0.000 0.874 395 G HN 0.073 nan 8.290 nan 0.000 0.631 396 P HA 0.111 nan 4.420 nan 0.000 0.255 396 P C 0.614 178.009 177.300 0.158 0.000 1.248 396 P CA 0.474 63.647 63.100 0.121 0.000 0.807 396 P CB 0.315 31.962 31.700 -0.088 0.000 1.150 397 N N -0.401 118.338 118.700 0.065 0.000 2.510 397 N HA 0.048 4.788 4.740 -0.000 0.000 0.186 397 N C 0.707 176.208 175.510 -0.015 0.000 1.051 397 N CA 0.325 53.383 53.050 0.015 0.000 0.877 397 N CB -0.049 38.435 38.487 -0.006 0.000 1.183 397 N HN 0.245 nan 8.380 nan 0.000 0.443 398 E N 0.276 120.472 120.200 -0.007 0.000 2.392 398 E HA -0.034 4.316 4.350 -0.000 0.000 0.256 398 E C 0.403 176.967 176.600 -0.060 0.000 1.145 398 E CA -0.147 56.239 56.400 -0.023 0.000 0.929 398 E CB 0.979 30.670 29.700 -0.014 0.000 0.998 398 E HN 0.265 nan 8.360 nan 0.000 0.442 399 H N 2.079 121.055 119.070 -0.157 0.000 2.879 399 H HA 0.019 4.575 4.556 -0.000 0.000 0.308 399 H C -1.718 173.478 175.328 -0.219 0.000 1.017 399 H CA 0.225 56.120 56.048 -0.256 0.000 1.176 399 H CB -1.250 28.407 29.762 -0.175 0.000 1.562 399 H HN 0.255 nan 8.280 nan 0.000 0.765 400 P HA 0.062 nan 4.420 nan 0.000 0.242 400 P C -0.405 176.809 177.300 -0.144 0.000 1.116 400 P CA 1.357 64.115 63.100 -0.569 0.000 0.954 400 P CB -0.216 31.288 31.700 -0.326 0.000 0.908 401 G N 1.510 110.405 108.800 0.158 0.000 2.933 401 G HA2 0.820 4.780 3.960 -0.000 0.000 0.203 401 G HA3 0.820 4.780 3.960 -0.000 0.000 0.203 401 G C -1.668 173.357 174.900 0.208 0.000 1.170 401 G CA -0.067 45.202 45.100 0.282 0.000 0.880 401 G HN 0.516 nan 8.290 nan 0.000 0.573 402 A N -1.471 121.334 122.820 -0.025 0.000 2.608 402 A HA 0.723 5.043 4.320 -0.000 0.000 0.292 402 A C -0.156 177.263 177.584 -0.276 0.000 1.066 402 A CA -0.178 51.713 52.037 -0.243 0.000 0.676 402 A CB 1.298 20.252 19.000 -0.078 0.000 1.277 402 A HN 0.513 nan 8.150 nan 0.000 0.413 403 K N -0.644 119.576 120.400 -0.300 0.000 2.329 403 K HA 0.286 4.606 4.320 -0.000 0.000 0.198 403 K C -0.767 175.512 176.600 -0.535 0.000 1.085 403 K CA 0.963 57.006 56.287 -0.407 0.000 0.961 403 K CB 0.365 32.632 32.500 -0.387 0.000 0.971 403 K HN 0.620 nan 8.250 nan 0.000 0.502 404 Y N -0.440 119.810 120.300 -0.083 0.000 2.553 404 Y HA 0.443 4.993 4.550 -0.000 0.000 0.347 404 Y C -0.765 175.103 175.900 -0.054 0.000 1.019 404 Y CA -1.264 56.796 58.100 -0.067 0.000 1.032 404 Y CB 2.140 40.565 38.460 -0.059 0.000 1.284 404 Y HN -0.408 nan 8.280 nan 0.000 0.466 405 V N 4.092 124.082 119.914 0.127 0.000 2.483 405 V HA 0.454 4.574 4.120 -0.000 0.000 0.297 405 V C -0.707 175.340 176.094 -0.080 0.000 1.027 405 V CA -0.752 61.572 62.300 0.041 0.000 0.855 405 V CB 1.507 33.365 31.823 0.058 0.000 0.995 405 V HN 0.517 nan 8.190 nan 0.000 0.424 406 I N 4.994 125.480 120.570 -0.140 0.000 2.355 406 I HA 0.545 4.715 4.170 -0.000 0.000 0.288 406 I C 0.354 176.175 176.117 -0.493 0.000 0.999 406 I CA -0.652 60.491 61.300 -0.261 0.000 1.163 406 I CB 1.372 39.268 38.000 -0.172 0.000 1.316 406 I HN 0.495 nan 8.210 nan 0.000 0.454 407 R N 2.816 122.838 120.500 -0.797 0.000 2.637 407 R HA 0.119 4.459 4.340 -0.000 0.000 0.269 407 R C 0.870 176.832 176.300 -0.562 0.000 1.089 407 R CA -0.438 54.877 56.100 -1.309 0.000 1.177 407 R CB 0.510 30.062 30.300 -1.246 0.000 1.091 407 R HN 0.653 nan 8.270 nan 0.000 0.540 408 D N -0.152 120.064 120.400 -0.306 0.000 2.149 408 D HA -0.181 4.459 4.640 -0.000 0.000 0.198 408 D C 0.428 176.684 176.300 -0.073 0.000 0.990 408 D CA 1.277 55.264 54.000 -0.022 0.000 0.839 408 D CB -0.350 40.541 40.800 0.152 0.000 0.948 408 D HN 0.410 nan 8.370 nan 0.000 0.460 409 S N 0.187 115.828 115.700 -0.097 0.000 4.175 409 S HA 0.365 4.835 4.470 -0.000 0.000 0.193 409 S C 1.190 175.720 174.600 -0.117 0.000 1.373 409 S CA -0.380 57.771 58.200 -0.081 0.000 0.908 409 S CB -0.778 62.389 63.200 -0.054 0.000 1.547 409 S HN 0.459 nan 8.310 nan 0.000 0.440 410 G N 1.780 110.514 108.800 -0.109 0.000 2.256 410 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.269 410 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.269 410 G C -0.312 174.519 174.900 -0.114 0.000 0.443 410 G CA 0.537 45.571 45.100 -0.109 0.000 1.051 410 G HN 0.799 nan 8.290 nan 0.000 0.442 411 D N 0.001 120.307 120.400 -0.156 0.000 2.977 411 D HA 0.343 4.983 4.640 -0.000 0.000 0.220 411 D C -0.005 176.199 176.300 -0.160 0.000 1.267 411 D CA -0.697 53.222 54.000 -0.136 0.000 0.884 411 D CB 1.099 41.827 40.800 -0.119 0.000 1.667 411 D HN 0.267 nan 8.370 nan 0.000 0.536 412 R N 3.048 123.477 120.500 -0.118 0.000 2.265 412 R HA 0.528 4.868 4.340 -0.000 0.000 0.314 412 R C -0.205 176.101 176.300 0.011 0.000 1.053 412 R CA -0.465 55.583 56.100 -0.087 0.000 0.931 412 R CB 0.915 31.117 30.300 -0.164 0.000 1.024 412 R HN 0.437 nan 8.270 nan 0.000 0.457 413 I N 2.744 123.339 120.570 0.042 0.000 2.297 413 I HA 0.048 4.218 4.170 -0.000 0.000 0.291 413 I C -0.063 176.139 176.117 0.142 0.000 1.033 413 I CA -0.375 60.958 61.300 0.053 0.000 1.253 413 I CB 1.206 39.201 38.000 -0.009 0.000 1.396 413 I HN 0.414 nan 8.210 nan 0.000 0.476 414 D N 7.547 128.018 120.400 0.118 0.000 2.422 414 D HA 0.122 4.762 4.640 -0.000 0.000 0.227 414 D C 1.166 177.352 176.300 -0.191 0.000 1.190 414 D CA -0.094 53.877 54.000 -0.048 0.000 0.905 414 D CB 0.912 41.727 40.800 0.026 0.000 1.034 414 D HN 0.488 nan 8.370 nan 0.000 0.507 415 L N 3.392 124.458 121.223 -0.262 0.000 2.556 415 L HA -0.182 4.158 4.340 -0.000 0.000 0.230 415 L C 2.184 178.912 176.870 -0.236 0.000 1.163 415 L CA 0.848 55.567 54.840 -0.201 0.000 0.819 415 L CB -0.265 41.683 42.059 -0.186 0.000 0.939 415 L HN 0.374 nan 8.230 nan 0.000 0.452 416 R N -2.017 118.240 120.500 -0.405 0.000 2.308 416 R HA 0.025 4.365 4.340 -0.000 0.000 0.202 416 R C 0.967 177.061 176.300 -0.343 0.000 0.898 416 R CA 0.397 56.226 56.100 -0.452 0.000 1.046 416 R CB 0.021 29.918 30.300 -0.671 0.000 1.026 416 R HN 0.359 nan 8.270 nan 0.000 0.512 417 Y N 0.423 120.696 120.300 -0.045 0.000 2.723 417 Y HA 0.190 4.740 4.550 -0.000 0.000 0.272 417 Y C 0.936 176.828 175.900 -0.014 0.000 1.142 417 Y CA -0.655 57.432 58.100 -0.023 0.000 1.217 417 Y CB 0.434 38.886 38.460 -0.014 0.000 1.391 417 Y HN -0.080 nan 8.280 nan 0.000 0.479 418 S N 2.979 118.763 115.700 0.140 0.000 2.931 418 S HA -0.143 4.327 4.470 -0.000 0.000 0.342 418 S C 1.150 175.788 174.600 0.062 0.000 1.220 418 S CA 0.146 58.395 58.200 0.082 0.000 1.045 418 S CB 0.235 63.462 63.200 0.044 0.000 0.758 418 S HN 0.531 nan 8.310 nan 0.000 0.508 419 K N 4.388 124.821 120.400 0.055 0.000 2.585 419 K HA -0.024 4.296 4.320 -0.000 0.000 0.194 419 K C 0.978 177.598 176.600 0.034 0.000 1.037 419 K CA 1.044 57.355 56.287 0.041 0.000 0.964 419 K CB -0.043 32.476 32.500 0.032 0.000 0.787 419 K HN 0.620 nan 8.250 nan 0.000 0.488 420 R N -0.137 120.384 120.500 0.035 0.000 2.596 420 R HA 0.268 4.608 4.340 -0.000 0.000 0.369 420 R C 1.347 177.665 176.300 0.031 0.000 1.042 420 R CA 0.283 56.403 56.100 0.034 0.000 1.120 420 R CB 0.734 31.060 30.300 0.043 0.000 1.353 420 R HN 0.201 nan 8.270 nan 0.000 0.564 421 A N 1.154 123.987 122.820 0.022 0.000 1.873 421 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 421 A C 2.226 179.816 177.584 0.011 0.000 1.193 421 A CA 2.133 54.175 52.037 0.008 0.000 0.629 421 A CB -1.033 17.962 19.000 -0.008 0.000 0.826 421 A HN 0.440 nan 8.150 nan 0.000 0.447 422 G N -0.697 108.110 108.800 0.011 0.000 2.422 422 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 422 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 422 G C 1.215 176.123 174.900 0.013 0.000 1.146 422 G CA 1.185 46.291 45.100 0.009 0.000 0.769 422 G HN 0.573 nan 8.290 nan 0.000 0.547 423 D N 0.253 120.664 120.400 0.019 0.000 1.658 423 D HA -0.003 4.637 4.640 -0.000 0.000 0.319 423 D C 1.068 177.386 176.300 0.030 0.000 1.076 423 D CA 0.088 54.101 54.000 0.022 0.000 0.860 423 D CB -0.157 40.660 40.800 0.028 0.000 1.368 423 D HN 0.150 nan 8.370 nan 0.000 0.468 424 I N 0.265 120.865 120.570 0.051 0.000 7.708 424 I HA -0.273 3.897 4.170 -0.000 0.000 0.126 424 I C -0.657 175.484 176.117 0.039 0.000 1.627 424 I CA 0.231 61.581 61.300 0.082 0.000 2.318 424 I CB -0.477 37.588 38.000 0.107 0.000 3.299 424 I HN 0.403 nan 8.210 nan 0.000 0.247 425 Q N 7.107 126.912 119.800 0.009 0.000 2.310 425 Q HA 0.640 4.980 4.340 -0.000 0.000 0.270 425 Q C -0.453 175.421 176.000 -0.211 0.000 1.025 425 Q CA -0.946 54.802 55.803 -0.090 0.000 0.772 425 Q CB 2.068 30.738 28.738 -0.113 0.000 1.253 425 Q HN 0.625 nan 8.270 nan 0.000 0.450 426 L N 1.197 122.289 121.223 -0.219 0.000 2.435 426 L HA 0.089 4.429 4.340 -0.000 0.000 0.258 426 L C 0.542 176.941 176.870 -0.785 0.000 1.257 426 L CA 0.303 54.928 54.840 -0.358 0.000 0.823 426 L CB 0.088 42.038 42.059 -0.180 0.000 1.111 426 L HN 0.581 nan 8.230 nan 0.000 0.543 427 Q N 0.054 119.265 119.800 -0.981 0.000 2.309 427 Q HA 0.260 4.600 4.340 -0.000 0.000 0.254 427 Q C -1.492 174.185 176.000 -0.537 0.000 0.938 427 Q CA -0.520 54.656 55.803 -1.044 0.000 0.789 427 Q CB 1.713 29.287 28.738 -1.940 0.000 1.313 427 Q HN 0.365 nan 8.270 nan 0.000 0.438 428 Y N 0.808 120.940 120.300 -0.280 0.000 2.954 428 Y HA -0.101 4.449 4.550 -0.000 0.000 0.351 428 Y C 1.655 177.498 175.900 -0.096 0.000 1.282 428 Y CA 2.005 60.011 58.100 -0.156 0.000 1.614 428 Y CB 0.110 38.487 38.460 -0.139 0.000 1.183 428 Y HN 1.039 nan 8.280 nan 0.000 0.566 429 G N 1.113 109.995 108.800 0.138 0.000 2.284 429 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.216 429 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.216 429 G C 0.109 175.168 174.900 0.265 0.000 1.009 429 G CA -0.375 44.818 45.100 0.156 0.000 0.625 429 G HN 0.526 nan 8.290 nan 0.000 0.501 430 W N 1.395 122.692 121.300 -0.006 0.000 1.777 430 W HA 0.699 5.359 4.660 0.000 0.000 0.376 430 W C 0.928 177.433 176.519 -0.025 0.000 1.628 430 W CA -0.123 57.210 57.345 -0.020 0.000 1.760 430 W CB 0.193 29.637 29.460 -0.027 0.000 1.367 430 W HN 0.037 nan 8.180 nan 0.000 0.722 431 K N 0.383 120.895 120.400 0.186 0.000 2.427 431 K HA 0.508 4.828 4.320 -0.000 0.000 0.252 431 K C -1.656 174.987 176.600 0.072 0.000 0.931 431 K CA -1.016 55.317 56.287 0.078 0.000 0.793 431 K CB 2.591 35.084 32.500 -0.011 0.000 1.211 431 K HN 0.000 nan 8.250 nan 0.000 0.426 432 V N 2.827 122.780 119.914 0.065 0.000 2.313 432 V HA 0.121 4.241 4.120 -0.000 0.000 0.278 432 V C -0.254 175.867 176.094 0.045 0.000 1.017 432 V CA -0.669 61.671 62.300 0.066 0.000 0.823 432 V CB 1.230 33.097 31.823 0.073 0.000 1.010 432 V HN 0.665 nan 8.190 nan 0.000 0.443 433 E N 5.938 126.170 120.200 0.054 0.000 2.029 433 E HA 0.174 4.524 4.350 -0.000 0.000 0.276 433 E C 0.191 176.815 176.600 0.040 0.000 1.163 433 E CA -0.182 56.256 56.400 0.062 0.000 0.909 433 E CB 0.582 30.368 29.700 0.144 0.000 1.046 433 E HN 0.647 nan 8.360 nan 0.000 0.406 434 R N 2.528 123.066 120.500 0.063 0.000 2.674 434 R HA 0.363 4.703 4.340 -0.000 0.000 0.266 434 R C 0.080 176.402 176.300 0.037 0.000 1.016 434 R CA -0.815 55.300 56.100 0.024 0.000 1.062 434 R CB 0.927 31.281 30.300 0.089 0.000 1.142 434 R HN 0.383 nan 8.270 nan 0.000 0.517 435 H N 0.862 119.989 119.070 0.094 0.000 2.771 435 H HA 0.056 4.612 4.556 -0.000 0.000 0.364 435 H C 0.540 175.951 175.328 0.138 0.000 1.133 435 H CA 0.012 56.133 56.048 0.121 0.000 1.423 435 H CB 0.635 30.453 29.762 0.094 0.000 1.425 435 H HN 0.317 nan 8.280 nan 0.000 0.606 436 I N 3.522 124.278 120.570 0.309 0.000 2.683 436 I HA -0.094 4.076 4.170 -0.000 0.000 0.286 436 I C 0.912 177.156 176.117 0.212 0.000 1.175 436 I CA 0.892 62.321 61.300 0.214 0.000 1.429 436 I CB -0.464 37.651 38.000 0.192 0.000 1.371 436 I HN 0.388 nan 8.210 nan 0.000 0.569 437 M N 3.651 123.325 119.600 0.123 0.000 2.690 437 M HA 0.323 4.803 4.480 -0.000 0.000 0.302 437 M C -0.435 175.907 176.300 0.070 0.000 1.234 437 M CA -1.176 54.193 55.300 0.115 0.000 0.853 437 M CB 1.460 34.092 32.600 0.054 0.000 1.748 437 M HN 0.288 nan 8.290 nan 0.000 0.469 438 D N 2.094 122.540 120.400 0.076 0.000 2.658 438 D HA -0.028 4.612 4.640 -0.000 0.000 0.230 438 D C 0.077 176.386 176.300 0.016 0.000 1.118 438 D CA 1.622 55.647 54.000 0.042 0.000 0.848 438 D CB 0.028 40.851 40.800 0.039 0.000 1.160 438 D HN 0.641 nan 8.370 nan 0.000 0.497 439 N N 0.696 119.400 118.700 0.007 0.000 2.901 439 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 439 N C -1.181 174.314 175.510 -0.024 0.000 1.044 439 N CA 0.620 53.666 53.050 -0.005 0.000 0.847 439 N CB -0.754 37.730 38.487 -0.005 0.000 1.127 439 N HN 0.438 nan 8.380 nan 0.000 0.562 440 D N 0.852 121.234 120.400 -0.030 0.000 2.350 440 D HA 0.191 4.831 4.640 -0.000 0.000 0.249 440 D C -2.057 174.218 176.300 -0.042 0.000 1.119 440 D CA -0.902 53.055 54.000 -0.071 0.000 0.886 440 D CB 0.722 41.474 40.800 -0.079 0.000 1.195 440 D HN 0.149 nan 8.370 nan 0.000 0.437 441 P HA 0.093 nan 4.420 nan 0.000 0.276 441 P C -0.635 176.674 177.300 0.014 0.000 1.230 441 P CA -0.386 62.706 63.100 -0.012 0.000 0.776 441 P CB 1.086 32.774 31.700 -0.020 0.000 0.888 442 V N 1.211 121.155 119.914 0.050 0.000 3.012 442 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 442 V C -0.740 175.439 176.094 0.141 0.000 1.166 442 V CA -1.209 61.141 62.300 0.084 0.000 0.974 442 V CB 2.184 34.043 31.823 0.060 0.000 1.040 442 V HN 0.381 nan 8.190 nan 0.000 0.428 443 L N 3.586 124.916 121.223 0.178 0.000 2.290 443 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 443 L C -1.180 175.876 176.870 0.311 0.000 1.078 443 L CA -0.249 54.736 54.840 0.240 0.000 0.815 443 L CB 1.160 43.364 42.059 0.242 0.000 1.162 443 L HN 0.815 nan 8.230 nan 0.000 0.435 444 F N 6.169 126.202 119.950 0.139 0.000 2.507 444 F HA 0.480 5.007 4.527 -0.000 0.000 0.325 444 F C -0.299 175.538 175.800 0.062 0.000 1.116 444 F CA -0.999 56.985 58.000 -0.028 0.000 0.930 444 F CB 1.426 40.368 39.000 -0.096 0.000 1.146 444 F HN 0.522 nan 8.300 nan 0.000 0.447 445 N N 4.917 123.411 118.700 -0.344 0.000 2.396 445 N HA 0.398 5.138 4.740 -0.000 0.000 0.275 445 N C -2.089 173.198 175.510 -0.371 0.000 1.218 445 N CA -0.711 52.230 53.050 -0.181 0.000 0.812 445 N CB 2.725 41.256 38.487 0.073 0.000 1.592 445 N HN 0.837 nan 8.380 nan 0.000 0.480 446 R N 1.800 122.224 120.500 -0.126 0.000 2.480 446 R HA 0.310 4.650 4.340 -0.000 0.000 0.306 446 R C -1.000 175.283 176.300 -0.028 0.000 0.958 446 R CA -0.366 55.654 56.100 -0.134 0.000 0.861 446 R CB 1.470 31.704 30.300 -0.109 0.000 1.171 446 R HN 0.611 nan 8.270 nan 0.000 0.445 447 Q N 4.024 123.798 119.800 -0.044 0.000 2.230 447 Q HA 0.376 4.716 4.340 -0.000 0.000 0.248 447 Q C -1.973 174.009 176.000 -0.030 0.000 0.915 447 Q CA -1.871 53.917 55.803 -0.025 0.000 0.900 447 Q CB 1.341 30.069 28.738 -0.017 0.000 1.229 447 Q HN 0.505 nan 8.270 nan 0.000 0.439 448 P HA 0.030 nan 4.420 nan 0.000 0.271 448 P C -1.019 176.257 177.300 -0.040 0.000 1.218 448 P CA -0.255 62.824 63.100 -0.035 0.000 0.780 448 P CB 0.816 32.490 31.700 -0.043 0.000 0.901 449 S N 2.456 118.137 115.700 -0.031 0.000 2.642 449 S HA 0.196 4.666 4.470 -0.000 0.000 0.309 449 S C 1.410 175.973 174.600 -0.062 0.000 1.125 449 S CA -0.601 57.586 58.200 -0.023 0.000 1.055 449 S CB -0.202 62.998 63.200 0.001 0.000 1.157 449 S HN 0.368 nan 8.310 nan 0.000 0.513 450 L N 1.768 122.908 121.223 -0.139 0.000 2.168 450 L HA 0.128 4.468 4.340 -0.000 0.000 0.203 450 L C 0.813 177.575 176.870 -0.179 0.000 1.078 450 L CA 0.730 55.437 54.840 -0.221 0.000 0.780 450 L CB -0.275 41.569 42.059 -0.359 0.000 0.939 450 L HN 0.655 nan 8.230 nan 0.000 0.451 451 H N -3.800 115.209 119.070 -0.101 0.000 2.941 451 H HA 0.413 4.969 4.556 -0.000 0.000 0.344 451 H C 0.308 175.566 175.328 -0.117 0.000 1.235 451 H CA -1.849 54.127 56.048 -0.121 0.000 1.149 451 H CB 0.409 30.086 29.762 -0.142 0.000 1.885 451 H HN -0.280 nan 8.280 nan 0.000 0.558 452 K N -0.276 120.131 120.400 0.011 0.000 2.049 452 K HA -0.236 4.084 4.320 -0.000 0.000 0.219 452 K C 1.247 177.786 176.600 -0.103 0.000 1.056 452 K CA 2.786 59.029 56.287 -0.073 0.000 0.946 452 K CB -0.469 31.952 32.500 -0.133 0.000 0.723 452 K HN 0.455 nan 8.250 nan 0.000 0.453 453 M N 0.923 120.367 119.600 -0.261 0.000 2.814 453 M HA -0.075 4.405 4.480 -0.000 0.000 0.237 453 M C 1.277 177.402 176.300 -0.291 0.000 1.039 453 M CA 0.967 56.053 55.300 -0.357 0.000 1.071 453 M CB -0.047 32.203 32.600 -0.583 0.000 1.501 453 M HN -0.057 nan 8.290 nan 0.000 0.558 454 S N -0.522 115.161 115.700 -0.029 0.000 2.556 454 S HA 0.347 4.817 4.470 -0.000 0.000 0.216 454 S C 0.564 175.262 174.600 0.163 0.000 0.970 454 S CA 0.210 58.439 58.200 0.049 0.000 0.912 454 S CB 0.206 63.468 63.200 0.103 0.000 0.790 454 S HN 0.449 nan 8.310 nan 0.000 0.504 455 M N 1.832 121.486 119.600 0.089 0.000 2.037 455 M HA 0.408 4.888 4.480 -0.000 0.000 0.255 455 M C -1.323 175.047 176.300 0.116 0.000 0.914 455 M CA 0.229 55.630 55.300 0.169 0.000 0.986 455 M CB 1.330 33.989 32.600 0.098 0.000 1.947 455 M HN 0.068 nan 8.290 nan 0.000 0.419 456 M N 1.295 121.020 119.600 0.209 0.000 2.724 456 M HA 0.807 5.287 4.480 -0.000 0.000 0.310 456 M C -0.038 176.326 176.300 0.106 0.000 1.217 456 M CA -0.781 54.551 55.300 0.053 0.000 0.894 456 M CB 2.355 34.893 32.600 -0.103 0.000 1.719 456 M HN 0.592 nan 8.290 nan 0.000 0.479 457 A N 1.078 123.878 122.820 -0.033 0.000 2.274 457 A HA 0.602 4.922 4.320 -0.000 0.000 0.309 457 A C -0.936 176.579 177.584 -0.115 0.000 1.226 457 A CA -0.487 51.558 52.037 0.012 0.000 0.853 457 A CB 0.186 19.188 19.000 0.003 0.000 1.146 457 A HN 0.862 nan 8.150 nan 0.000 0.518 458 H N 1.221 120.309 119.070 0.030 0.000 2.737 458 H HA 0.430 4.986 4.556 -0.000 0.000 0.358 458 H C -0.485 174.819 175.328 -0.041 0.000 1.187 458 H CA -0.803 55.236 56.048 -0.016 0.000 1.221 458 H CB 1.520 31.237 29.762 -0.076 0.000 1.799 458 H HN 0.675 nan 8.280 nan 0.000 0.568 459 R N 0.705 121.263 120.500 0.098 0.000 2.349 459 R HA 0.307 4.647 4.340 -0.000 0.000 0.299 459 R C -0.407 175.900 176.300 0.011 0.000 1.027 459 R CA -0.583 55.537 56.100 0.034 0.000 0.958 459 R CB 1.157 31.470 30.300 0.023 0.000 1.047 459 R HN 0.221 nan 8.270 nan 0.000 0.468 460 V N 3.250 123.163 119.914 -0.002 0.000 2.881 460 V HA 0.175 4.295 4.120 -0.000 0.000 0.303 460 V C 0.340 176.431 176.094 -0.004 0.000 1.070 460 V CA 0.018 62.310 62.300 -0.013 0.000 1.074 460 V CB 1.201 33.029 31.823 0.007 0.000 1.012 460 V HN 0.539 nan 8.190 nan 0.000 0.482 461 K N 3.163 123.555 120.400 -0.014 0.000 2.740 461 K HA 0.321 4.641 4.320 -0.000 0.000 0.246 461 K C -1.239 175.350 176.600 -0.018 0.000 1.021 461 K CA -0.404 55.880 56.287 -0.006 0.000 1.021 461 K CB 1.534 34.028 32.500 -0.010 0.000 1.233 461 K HN 0.442 nan 8.250 nan 0.000 0.497 462 V N 5.948 125.855 119.914 -0.013 0.000 2.585 462 V HA 0.275 4.395 4.120 -0.000 0.000 0.296 462 V C 0.923 176.966 176.094 -0.084 0.000 1.035 462 V CA -0.031 62.224 62.300 -0.074 0.000 1.084 462 V CB 0.029 31.776 31.823 -0.127 0.000 0.953 462 V HN 0.632 nan 8.190 nan 0.000 0.483 463 I N 2.955 123.462 120.570 -0.104 0.000 3.102 463 I HA 0.721 4.891 4.170 -0.000 0.000 0.310 463 I C -2.821 173.233 176.117 -0.106 0.000 1.246 463 I CA -2.568 58.687 61.300 -0.075 0.000 0.979 463 I CB 2.655 40.643 38.000 -0.020 0.000 1.267 463 I HN 0.379 nan 8.210 nan 0.000 0.451 464 P HA 0.222 nan 4.420 nan 0.000 0.274 464 P C -1.170 176.036 177.300 -0.157 0.000 1.260 464 P CA 0.567 63.512 63.100 -0.259 0.000 0.793 464 P CB 0.272 31.740 31.700 -0.387 0.000 1.048 465 Y N -2.813 117.429 120.300 -0.097 0.000 2.503 465 Y HA -0.214 4.336 4.550 -0.000 0.000 0.021 465 Y C 1.175 176.998 175.900 -0.129 0.000 1.699 465 Y CA 0.570 58.610 58.100 -0.099 0.000 1.421 465 Y CB -2.084 36.323 38.460 -0.089 0.000 2.066 465 Y HN 0.292 nan 8.280 nan 0.000 0.253 466 S N -0.277 115.447 115.700 0.040 0.000 2.573 466 S HA 0.290 4.760 4.470 -0.000 0.000 0.244 466 S C -0.105 174.407 174.600 -0.146 0.000 0.984 466 S CA 0.239 58.389 58.200 -0.083 0.000 1.001 466 S CB -0.254 62.902 63.200 -0.073 0.000 0.788 466 S HN 0.687 nan 8.310 nan 0.000 0.456 467 T N -0.831 113.647 114.554 -0.125 0.000 2.881 467 T HA 0.637 4.987 4.350 -0.000 0.000 0.290 467 T C -0.326 174.295 174.700 -0.133 0.000 1.000 467 T CA -0.769 61.242 62.100 -0.149 0.000 0.978 467 T CB 0.502 69.332 68.868 -0.065 0.000 0.997 467 T HN 0.086 nan 8.240 nan 0.000 0.443 468 F N 2.367 122.313 119.950 -0.006 0.000 2.608 468 F HA 0.255 4.782 4.527 -0.000 0.000 0.380 468 F C 1.602 177.369 175.800 -0.055 0.000 1.083 468 F CA -0.277 57.700 58.000 -0.040 0.000 1.266 468 F CB 0.591 39.636 39.000 0.076 0.000 1.076 468 F HN 0.288 nan 8.300 nan 0.000 0.574 469 R N 5.577 126.120 120.500 0.070 0.000 2.387 469 R HA 0.667 5.007 4.340 -0.000 0.000 0.314 469 R C -0.892 175.390 176.300 -0.031 0.000 0.958 469 R CA -0.892 55.200 56.100 -0.012 0.000 0.846 469 R CB 1.670 31.941 30.300 -0.048 0.000 1.147 469 R HN 0.633 nan 8.270 nan 0.000 0.447 470 L N -0.534 120.706 121.223 0.028 0.000 2.333 470 L HA 0.589 4.929 4.340 -0.000 0.000 0.263 470 L C -0.374 176.565 176.870 0.115 0.000 1.014 470 L CA -1.250 53.624 54.840 0.057 0.000 0.820 470 L CB 1.870 44.020 42.059 0.151 0.000 1.352 470 L HN 0.428 nan 8.230 nan 0.000 0.421 471 N N 1.029 119.805 118.700 0.127 0.000 2.513 471 N HA 0.143 4.883 4.740 -0.000 0.000 0.268 471 N C 0.842 176.459 175.510 0.177 0.000 1.180 471 N CA 0.005 53.132 53.050 0.128 0.000 0.948 471 N CB 1.428 39.979 38.487 0.106 0.000 1.083 471 N HN 0.813 nan 8.380 nan 0.000 0.455 472 L N 2.424 123.754 121.223 0.178 0.000 2.081 472 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 472 L C 2.186 179.155 176.870 0.166 0.000 1.080 472 L CA 1.186 56.150 54.840 0.207 0.000 0.754 472 L CB -0.280 41.887 42.059 0.179 0.000 0.893 472 L HN 0.536 nan 8.230 nan 0.000 0.433 473 S N -1.425 114.362 115.700 0.146 0.000 2.481 473 S HA -0.071 4.398 4.470 -0.000 0.000 0.231 473 S C 1.556 176.171 174.600 0.025 0.000 0.996 473 S CA 0.550 58.821 58.200 0.118 0.000 0.942 473 S CB 0.149 63.472 63.200 0.206 0.000 0.768 473 S HN 0.254 nan 8.310 nan 0.000 0.520 474 V N 1.635 121.591 119.914 0.071 0.000 3.577 474 V HA 0.042 4.162 4.120 -0.000 0.000 0.294 474 V C 1.975 178.212 176.094 0.238 0.000 1.317 474 V CA 0.825 63.195 62.300 0.116 0.000 1.169 474 V CB -0.562 31.430 31.823 0.281 0.000 1.011 474 V HN 0.473 nan 8.190 nan 0.000 0.426 475 T N -0.108 114.551 114.554 0.175 0.000 2.701 475 T HA -0.157 4.193 4.350 -0.000 0.000 0.263 475 T C 2.106 176.862 174.700 0.093 0.000 1.040 475 T CA 2.317 64.504 62.100 0.145 0.000 1.147 475 T CB -0.056 68.851 68.868 0.065 0.000 0.865 475 T HN 0.686 nan 8.240 nan 0.000 0.426 476 S N 2.074 117.799 115.700 0.042 0.000 2.351 476 S HA -0.061 4.409 4.470 -0.000 0.000 0.220 476 S C -0.348 174.249 174.600 -0.004 0.000 1.035 476 S CA 1.497 59.704 58.200 0.012 0.000 1.031 476 S CB -1.671 61.531 63.200 0.004 0.000 0.928 476 S HN 0.452 nan 8.310 nan 0.000 0.433 477 P HA -0.169 nan 4.420 nan 0.000 0.217 477 P C 0.867 178.084 177.300 -0.139 0.000 1.158 477 P CA 1.493 64.479 63.100 -0.190 0.000 0.887 477 P CB -0.171 31.282 31.700 -0.413 0.000 0.792 478 Y N -2.541 117.775 120.300 0.027 0.000 2.337 478 Y HA 0.041 4.591 4.550 -0.000 0.000 0.293 478 Y C 1.126 177.004 175.900 -0.037 0.000 1.123 478 Y CA 0.729 58.824 58.100 -0.010 0.000 1.201 478 Y CB -0.450 37.974 38.460 -0.060 0.000 1.011 478 Y HN -0.008 nan 8.280 nan 0.000 0.545 479 N N -0.282 118.480 118.700 0.104 0.000 2.929 479 N HA -0.136 4.604 4.740 -0.000 0.000 0.246 479 N C -0.953 174.546 175.510 -0.018 0.000 1.111 479 N CA 0.038 53.098 53.050 0.017 0.000 0.679 479 N CB -1.069 37.410 38.487 -0.012 0.000 1.008 479 N HN 0.270 nan 8.380 nan 0.000 0.559 480 A N 0.891 123.692 122.820 -0.032 0.000 2.325 480 A HA 0.696 5.016 4.320 -0.000 0.000 0.333 480 A C -0.366 177.025 177.584 -0.322 0.000 1.155 480 A CA -0.467 51.489 52.037 -0.134 0.000 0.814 480 A CB 0.960 19.896 19.000 -0.107 0.000 1.206 480 A HN 0.428 nan 8.150 nan 0.000 0.482 481 D N 0.006 120.175 120.400 -0.384 0.000 2.585 481 D HA 0.404 5.044 4.640 -0.000 0.000 0.254 481 D C -0.873 175.071 176.300 -0.593 0.000 1.067 481 D CA -0.216 53.453 54.000 -0.551 0.000 1.090 481 D CB 0.977 41.632 40.800 -0.243 0.000 1.408 481 D HN 0.402 nan 8.370 nan 0.000 0.554 482 F N 0.428 120.387 119.950 0.015 0.000 2.750 482 F HA 0.061 4.587 4.527 -0.000 0.000 0.297 482 F C 1.329 177.133 175.800 0.006 0.000 1.138 482 F CA -0.669 57.339 58.000 0.013 0.000 1.346 482 F CB 0.243 39.252 39.000 0.014 0.000 0.965 482 F HN 0.109 nan 8.300 nan 0.000 0.514 483 D N -0.164 120.283 120.400 0.078 0.000 2.403 483 D HA -0.025 4.615 4.640 -0.000 0.000 0.227 483 D C 1.769 178.104 176.300 0.059 0.000 0.995 483 D CA 1.122 55.154 54.000 0.053 0.000 0.928 483 D CB -0.093 40.712 40.800 0.010 0.000 0.887 483 D HN 0.422 nan 8.370 nan 0.000 0.529 484 G N -0.224 108.629 108.800 0.088 0.000 2.234 484 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.153 484 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.153 484 G C -0.409 174.531 174.900 0.067 0.000 1.013 484 G CA -0.331 44.813 45.100 0.074 0.000 0.712 484 G HN 0.239 nan 8.290 nan 0.000 0.491 485 D N 0.996 121.435 120.400 0.064 0.000 2.443 485 D HA 0.290 4.930 4.640 -0.000 0.000 0.234 485 D C 0.545 176.883 176.300 0.063 0.000 1.172 485 D CA 0.806 54.827 54.000 0.036 0.000 0.878 485 D CB 0.915 41.715 40.800 -0.000 0.000 1.204 485 D HN 0.495 nan 8.370 nan 0.000 0.453 486 E N 0.409 120.628 120.200 0.032 0.000 2.244 486 E HA 0.457 4.807 4.350 -0.000 0.000 0.266 486 E C -0.300 176.285 176.600 -0.023 0.000 0.914 486 E CA -0.707 55.726 56.400 0.055 0.000 0.794 486 E CB 1.657 31.387 29.700 0.050 0.000 1.210 486 E HN 0.233 nan 8.360 nan 0.000 0.414 487 M N 1.688 121.272 119.600 -0.026 0.000 2.572 487 M HA 0.424 4.904 4.480 -0.000 0.000 0.299 487 M C -0.789 175.358 176.300 -0.256 0.000 1.205 487 M CA -0.966 54.139 55.300 -0.326 0.000 0.876 487 M CB 1.887 34.002 32.600 -0.809 0.000 1.728 487 M HN 0.395 nan 8.290 nan 0.000 0.458 488 N N 1.575 120.075 118.700 -0.334 0.000 2.477 488 N HA 0.766 5.506 4.740 -0.000 0.000 0.284 488 N C -1.380 173.951 175.510 -0.298 0.000 1.182 488 N CA -0.549 52.359 53.050 -0.236 0.000 0.949 488 N CB 2.136 40.525 38.487 -0.164 0.000 1.204 488 N HN 0.484 nan 8.380 nan 0.000 0.526 489 L N 0.746 121.786 121.223 -0.306 0.000 2.493 489 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 489 L C -1.611 175.054 176.870 -0.343 0.000 0.954 489 L CA -0.508 54.220 54.840 -0.186 0.000 0.844 489 L CB 1.415 43.389 42.059 -0.141 0.000 1.302 489 L HN 0.509 nan 8.230 nan 0.000 0.405 490 H N 4.279 123.419 119.070 0.117 0.000 2.547 490 H HA 0.590 5.146 4.556 -0.000 0.000 0.342 490 H C -0.987 174.421 175.328 0.133 0.000 1.048 490 H CA -0.670 55.456 56.048 0.130 0.000 1.204 490 H CB 2.390 32.214 29.762 0.104 0.000 1.493 490 H HN 0.474 nan 8.280 nan 0.000 0.511 491 V N 6.207 126.280 119.914 0.266 0.000 2.364 491 V HA 0.154 4.274 4.120 -0.000 0.000 0.272 491 V C -1.793 174.394 176.094 0.154 0.000 1.036 491 V CA -1.597 60.826 62.300 0.205 0.000 0.880 491 V CB 1.167 33.134 31.823 0.241 0.000 0.991 491 V HN 0.621 nan 8.190 nan 0.000 0.460 492 P HA 0.080 nan 4.420 nan 0.000 0.267 492 P C -0.412 176.954 177.300 0.110 0.000 1.200 492 P CA 0.034 63.187 63.100 0.090 0.000 0.772 492 P CB 1.501 33.249 31.700 0.081 0.000 0.855 493 Q N 0.442 120.255 119.800 0.020 0.000 2.353 493 Q HA 0.139 4.479 4.340 -0.000 0.000 0.240 493 Q C 0.968 176.930 176.000 -0.063 0.000 0.868 493 Q CA 0.488 56.234 55.803 -0.095 0.000 0.944 493 Q CB 0.225 28.777 28.738 -0.310 0.000 1.104 493 Q HN 0.499 nan 8.270 nan 0.000 0.531 494 S N -0.769 114.949 115.700 0.030 0.000 2.690 494 S HA 0.208 4.678 4.470 -0.000 0.000 0.291 494 S C 0.845 175.530 174.600 0.142 0.000 1.138 494 S CA -0.407 57.812 58.200 0.032 0.000 1.013 494 S CB 1.228 64.429 63.200 0.002 0.000 1.053 494 S HN 0.138 nan 8.310 nan 0.000 0.539 495 E N 1.328 121.601 120.200 0.122 0.000 2.150 495 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 495 E C 1.681 178.334 176.600 0.087 0.000 0.985 495 E CA 2.123 58.607 56.400 0.140 0.000 0.814 495 E CB -0.091 29.674 29.700 0.108 0.000 0.752 495 E HN 0.806 nan 8.360 nan 0.000 0.466 496 E N -1.526 118.711 120.200 0.061 0.000 2.170 496 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 496 E C 1.931 178.553 176.600 0.037 0.000 0.981 496 E CA 1.108 57.535 56.400 0.044 0.000 0.830 496 E CB -0.373 29.348 29.700 0.034 0.000 0.775 496 E HN 0.007 nan 8.360 nan 0.000 0.470 497 T N 1.936 116.514 114.554 0.040 0.000 2.684 497 T HA -0.201 4.149 4.350 -0.000 0.000 0.267 497 T C 1.916 176.638 174.700 0.037 0.000 1.036 497 T CA 2.225 64.344 62.100 0.032 0.000 1.148 497 T CB -0.248 68.641 68.868 0.035 0.000 0.863 497 T HN 0.383 nan 8.240 nan 0.000 0.436 498 R N 1.516 122.046 120.500 0.051 0.000 2.115 498 R HA 0.239 4.579 4.340 -0.000 0.000 0.230 498 R C 2.566 178.875 176.300 0.015 0.000 1.111 498 R CA 1.179 57.294 56.100 0.026 0.000 0.976 498 R CB -0.608 29.691 30.300 -0.001 0.000 0.870 498 R HN 0.303 nan 8.270 nan 0.000 0.445 499 A N 1.909 124.743 122.820 0.023 0.000 1.883 499 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 499 A C 2.029 179.621 177.584 0.013 0.000 1.186 499 A CA 1.674 53.722 52.037 0.019 0.000 0.624 499 A CB -0.495 18.522 19.000 0.029 0.000 0.822 499 A HN 0.505 nan 8.150 nan 0.000 0.444 500 E N -0.410 119.799 120.200 0.015 0.000 2.160 500 E HA -0.163 4.186 4.350 -0.000 0.000 0.195 500 E C 1.928 178.527 176.600 -0.002 0.000 0.991 500 E CA 1.113 57.516 56.400 0.006 0.000 0.810 500 E CB -0.223 29.478 29.700 0.002 0.000 0.742 500 E HN 0.671 nan 8.360 nan 0.000 0.466 501 L N 0.286 121.512 121.223 0.004 0.000 2.034 501 L HA -0.127 4.213 4.340 -0.000 0.000 0.203 501 L C 2.754 179.617 176.870 -0.011 0.000 1.074 501 L CA 1.240 56.081 54.840 0.001 0.000 0.748 501 L CB -0.736 41.333 42.059 0.017 0.000 0.905 501 L HN 0.175 nan 8.230 nan 0.000 0.439 502 S N -0.688 115.006 115.700 -0.009 0.000 2.383 502 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 502 S C 1.922 176.510 174.600 -0.021 0.000 1.030 502 S CA 0.964 59.154 58.200 -0.017 0.000 1.002 502 S CB -0.285 62.907 63.200 -0.014 0.000 0.829 502 S HN 0.375 nan 8.310 nan 0.000 0.467 503 Q N 0.194 119.985 119.800 -0.015 0.000 2.204 503 Q HA 0.330 4.670 4.340 -0.000 0.000 0.198 503 Q C 1.967 177.949 176.000 -0.029 0.000 0.946 503 Q CA 0.646 56.439 55.803 -0.017 0.000 0.859 503 Q CB -0.434 28.302 28.738 -0.003 0.000 0.946 503 Q HN 0.446 nan 8.270 nan 0.000 0.474 504 L N -0.841 120.363 121.223 -0.031 0.000 2.269 504 L HA 0.042 4.382 4.340 -0.000 0.000 0.200 504 L C 1.421 178.255 176.870 -0.060 0.000 1.069 504 L CA 0.944 55.756 54.840 -0.047 0.000 0.804 504 L CB -0.324 41.711 42.059 -0.040 0.000 0.987 504 L HN 0.204 nan 8.230 nan 0.000 0.468 505 C N -1.021 118.248 119.300 -0.052 0.000 2.557 505 C HA 0.807 5.267 4.460 -0.000 0.000 0.281 505 C C 0.869 175.812 174.990 -0.079 0.000 1.490 505 C CA -1.617 57.362 59.018 -0.066 0.000 1.771 505 C CB -1.490 26.221 27.740 -0.049 0.000 2.887 505 C HN 0.239 nan 8.230 nan 0.000 0.527 506 A N 0.848 123.618 122.820 -0.082 0.000 2.401 506 A HA 0.523 4.843 4.320 -0.000 0.000 0.259 506 A C 1.261 178.755 177.584 -0.150 0.000 1.103 506 A CA -0.059 51.914 52.037 -0.106 0.000 0.789 506 A CB 0.426 19.380 19.000 -0.076 0.000 1.035 506 A HN 0.453 nan 8.150 nan 0.000 0.491 507 V N 3.397 123.174 119.914 -0.229 0.000 2.357 507 V HA -0.242 3.878 4.120 -0.000 0.000 0.257 507 V C -0.461 175.520 176.094 -0.187 0.000 1.082 507 V CA 2.878 65.027 62.300 -0.252 0.000 1.078 507 V CB -1.505 30.116 31.823 -0.337 0.000 0.663 507 V HN 0.813 nan 8.190 nan 0.000 0.455 508 P HA -0.106 nan 4.420 nan 0.000 0.216 508 P C 1.885 179.133 177.300 -0.086 0.000 1.153 508 P CA 1.282 64.324 63.100 -0.098 0.000 0.848 508 P CB -0.045 31.622 31.700 -0.055 0.000 0.787 509 L N -0.885 120.285 121.223 -0.089 0.000 1.994 509 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 509 L C 2.369 179.173 176.870 -0.110 0.000 1.071 509 L CA 1.349 56.139 54.840 -0.084 0.000 0.745 509 L CB -1.331 40.678 42.059 -0.082 0.000 0.892 509 L HN -0.053 nan 8.230 nan 0.000 0.431 510 Q N 0.156 119.872 119.800 -0.139 0.000 2.443 510 Q HA -0.137 4.203 4.340 -0.000 0.000 0.213 510 Q C 2.158 178.054 176.000 -0.173 0.000 0.982 510 Q CA 1.110 56.811 55.803 -0.170 0.000 0.894 510 Q CB -0.510 28.104 28.738 -0.207 0.000 0.947 510 Q HN 0.600 nan 8.270 nan 0.000 0.480 511 I N -0.370 120.113 120.570 -0.145 0.000 2.113 511 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 511 I C 0.897 176.949 176.117 -0.108 0.000 1.057 511 I CA 1.076 62.307 61.300 -0.114 0.000 1.314 511 I CB -0.163 37.813 38.000 -0.040 0.000 1.022 511 I HN -0.066 nan 8.210 nan 0.000 0.408 512 V N 1.685 121.530 119.914 -0.116 0.000 2.334 512 V HA 0.113 4.233 4.120 -0.000 0.000 0.267 512 V C 0.263 176.254 176.094 -0.173 0.000 1.040 512 V CA -0.202 62.001 62.300 -0.161 0.000 0.866 512 V CB 1.140 32.876 31.823 -0.145 0.000 1.019 512 V HN 0.291 nan 8.190 nan 0.000 0.468 513 S N 8.664 124.255 115.700 -0.183 0.000 2.523 513 S HA 0.369 4.839 4.470 -0.000 0.000 0.275 513 S C -0.985 173.541 174.600 -0.123 0.000 1.281 513 S CA -1.097 57.000 58.200 -0.171 0.000 1.050 513 S CB 1.368 64.448 63.200 -0.201 0.000 0.937 513 S HN 0.661 nan 8.310 nan 0.000 0.492 514 P HA -0.062 nan 4.420 nan 0.000 0.241 514 P C 1.120 178.499 177.300 0.130 0.000 1.191 514 P CA 0.448 63.561 63.100 0.022 0.000 0.771 514 P CB 0.167 31.897 31.700 0.050 0.000 0.929 515 Q N 1.766 121.567 119.800 0.001 0.000 2.030 515 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 515 Q C 0.523 176.507 176.000 -0.027 0.000 0.986 515 Q CA 2.040 57.822 55.803 -0.035 0.000 0.843 515 Q CB -0.083 28.575 28.738 -0.134 0.000 0.904 515 Q HN 0.217 nan 8.270 nan 0.000 0.420 516 S N 0.536 116.153 115.700 -0.139 0.000 2.474 516 S HA 0.173 4.643 4.470 -0.000 0.000 0.224 516 S C -0.503 173.996 174.600 -0.167 0.000 1.209 516 S CA -0.182 57.832 58.200 -0.311 0.000 1.212 516 S CB -0.380 62.614 63.200 -0.343 0.000 1.137 516 S HN 0.619 nan 8.310 nan 0.000 0.446 517 N N 1.654 120.308 118.700 -0.077 0.000 2.726 517 N HA -0.326 4.414 4.740 -0.000 0.000 0.263 517 N C -0.359 175.136 175.510 -0.025 0.000 0.947 517 N CA 1.757 54.808 53.050 0.002 0.000 0.838 517 N CB -1.506 37.044 38.487 0.105 0.000 0.923 517 N HN 0.945 nan 8.380 nan 0.000 0.559 518 K N -3.565 116.730 120.400 -0.174 0.000 2.548 518 K HA 0.608 4.928 4.320 -0.000 0.000 0.282 518 K C -3.372 173.001 176.600 -0.379 0.000 1.006 518 K CA -2.115 53.938 56.287 -0.389 0.000 0.892 518 K CB 1.861 34.270 32.500 -0.151 0.000 1.499 518 K HN -0.120 nan 8.250 nan 0.000 0.433 519 P HA 0.007 nan 4.420 nan 0.000 0.269 519 P C 0.474 177.699 177.300 -0.126 0.000 1.209 519 P CA -0.384 62.590 63.100 -0.210 0.000 0.776 519 P CB 0.642 32.274 31.700 -0.114 0.000 0.876 520 C N 1.338 120.573 119.300 -0.108 0.000 2.994 520 C HA 0.591 5.051 4.460 -0.000 0.000 0.284 520 C C 0.194 175.143 174.990 -0.069 0.000 1.404 520 C CA -0.538 58.416 59.018 -0.106 0.000 1.775 520 C CB -1.430 26.203 27.740 -0.178 0.000 2.458 520 C HN 0.392 nan 8.230 nan 0.000 0.593 521 M N 0.984 120.584 119.600 0.001 0.000 2.378 521 M HA 0.633 5.113 4.480 -0.000 0.000 0.289 521 M C 0.088 176.549 176.300 0.268 0.000 1.136 521 M CA 0.151 55.486 55.300 0.058 0.000 0.917 521 M CB 2.295 34.835 32.600 -0.100 0.000 1.669 521 M HN 0.356 nan 8.290 nan 0.000 0.461 522 G N 2.096 111.061 108.800 0.274 0.000 3.166 522 G HA2 0.781 4.741 3.960 -0.000 0.000 0.267 522 G HA3 0.781 4.741 3.960 -0.000 0.000 0.267 522 G C -1.284 173.768 174.900 0.254 0.000 1.256 522 G CA -0.572 44.676 45.100 0.247 0.000 0.859 522 G HN 0.494 nan 8.290 nan 0.000 0.590 523 I N 1.053 121.667 120.570 0.074 0.000 2.392 523 I HA 0.561 4.731 4.170 -0.000 0.000 0.295 523 I C 0.226 176.373 176.117 0.050 0.000 0.985 523 I CA -0.511 60.822 61.300 0.055 0.000 1.221 523 I CB 0.855 38.833 38.000 -0.038 0.000 1.366 523 I HN 0.161 nan 8.210 nan 0.000 0.467 524 V N 4.165 124.116 119.914 0.061 0.000 3.105 524 V HA 0.464 4.584 4.120 -0.000 0.000 0.311 524 V C 0.448 176.559 176.094 0.028 0.000 1.282 524 V CA -0.824 61.502 62.300 0.042 0.000 1.065 524 V CB 1.089 32.945 31.823 0.056 0.000 1.136 524 V HN 0.814 nan 8.190 nan 0.000 0.469 525 Q N 0.078 119.892 119.800 0.024 0.000 2.271 525 Q HA -0.356 3.984 4.340 -0.000 0.000 0.460 525 Q C 1.262 177.258 176.000 -0.007 0.000 0.708 525 Q CA 2.258 58.073 55.803 0.020 0.000 0.880 525 Q CB -1.312 27.456 28.738 0.050 0.000 3.274 525 Q HN 0.983 nan 8.270 nan 0.000 0.942 526 D N 0.094 120.498 120.400 0.007 0.000 2.269 526 D HA -0.167 4.473 4.640 -0.000 0.000 0.191 526 D C 1.985 178.266 176.300 -0.032 0.000 1.007 526 D CA 2.659 56.651 54.000 -0.014 0.000 0.855 526 D CB -0.773 40.034 40.800 0.012 0.000 0.979 526 D HN 0.595 nan 8.370 nan 0.000 0.452 527 T N 0.663 115.211 114.554 -0.009 0.000 2.685 527 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 527 T C 1.876 176.550 174.700 -0.042 0.000 1.034 527 T CA 1.338 63.428 62.100 -0.016 0.000 1.149 527 T CB -0.467 68.403 68.868 0.005 0.000 0.860 527 T HN 0.064 nan 8.240 nan 0.000 0.449 528 L N 0.814 122.012 121.223 -0.042 0.000 2.023 528 L HA 0.053 4.393 4.340 -0.000 0.000 0.205 528 L C 2.741 179.554 176.870 -0.095 0.000 1.073 528 L CA 1.482 56.287 54.840 -0.059 0.000 0.745 528 L CB -1.300 40.737 42.059 -0.037 0.000 0.900 528 L HN 0.450 nan 8.230 nan 0.000 0.435 529 C N 0.158 119.383 119.300 -0.125 0.000 2.413 529 C HA -0.100 4.360 4.460 -0.000 0.000 0.276 529 C C 2.809 177.660 174.990 -0.232 0.000 1.236 529 C CA 1.122 60.003 59.018 -0.227 0.000 1.735 529 C CB -1.671 25.861 27.740 -0.347 0.000 2.031 529 C HN 0.710 nan 8.230 nan 0.000 0.474 530 G N -0.287 108.420 108.800 -0.155 0.000 2.403 530 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 530 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 530 G C 1.625 176.468 174.900 -0.094 0.000 1.154 530 G CA 0.788 45.865 45.100 -0.039 0.000 0.784 530 G HN 0.643 nan 8.290 nan 0.000 0.538 531 I N 0.287 120.786 120.570 -0.118 0.000 2.335 531 I HA -0.156 4.014 4.170 -0.000 0.000 0.251 531 I C 2.787 178.785 176.117 -0.199 0.000 1.129 531 I CA 1.227 62.426 61.300 -0.168 0.000 1.402 531 I CB -0.066 37.856 38.000 -0.130 0.000 1.069 531 I HN 0.194 nan 8.210 nan 0.000 0.424 532 R N 1.184 121.589 120.500 -0.158 0.000 2.070 532 R HA -0.211 4.129 4.340 -0.000 0.000 0.232 532 R C 2.282 178.478 176.300 -0.172 0.000 1.138 532 R CA 1.764 57.778 56.100 -0.142 0.000 0.936 532 R CB -0.203 30.033 30.300 -0.106 0.000 0.839 532 R HN 0.279 nan 8.270 nan 0.000 0.429 533 K N 0.590 120.897 120.400 -0.156 0.000 2.020 533 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 533 K C 2.122 178.477 176.600 -0.408 0.000 1.050 533 K CA 1.646 57.854 56.287 -0.131 0.000 0.929 533 K CB -0.542 32.020 32.500 0.104 0.000 0.714 533 K HN 0.211 nan 8.250 nan 0.000 0.443 534 L N 1.451 122.176 121.223 -0.830 0.000 2.447 534 L HA -0.143 4.197 4.340 -0.000 0.000 0.225 534 L C 1.770 178.280 176.870 -0.601 0.000 1.148 534 L CA 1.675 55.794 54.840 -1.202 0.000 0.808 534 L CB -0.319 40.989 42.059 -1.251 0.000 0.928 534 L HN 0.084 nan 8.230 nan 0.000 0.448 535 T N -0.532 113.790 114.554 -0.386 0.000 2.983 535 T HA 0.204 4.554 4.350 -0.000 0.000 0.250 535 T C 0.739 175.313 174.700 -0.210 0.000 1.037 535 T CA -0.129 61.815 62.100 -0.260 0.000 1.142 535 T CB -0.181 68.569 68.868 -0.196 0.000 0.876 535 T HN 0.188 nan 8.240 nan 0.000 0.455 536 L N 2.713 123.830 121.223 -0.177 0.000 2.720 536 L HA -0.069 4.271 4.340 -0.000 0.000 0.289 536 L C 1.644 178.404 176.870 -0.184 0.000 1.232 536 L CA -0.003 54.756 54.840 -0.134 0.000 0.915 536 L CB 0.124 42.130 42.059 -0.090 0.000 1.184 536 L HN 0.175 nan 8.230 nan 0.000 0.491 537 R N 1.600 122.011 120.500 -0.148 0.000 2.178 537 R HA -0.255 4.085 4.340 -0.000 0.000 0.257 537 R C 1.423 177.520 176.300 -0.339 0.000 1.163 537 R CA 1.974 57.960 56.100 -0.189 0.000 0.981 537 R CB -0.296 29.962 30.300 -0.071 0.000 0.878 537 R HN 0.708 nan 8.270 nan 0.000 0.454 538 D N -0.076 120.204 120.400 -0.199 0.000 2.218 538 D HA -0.065 4.574 4.640 -0.000 0.000 0.204 538 D C -0.002 176.134 176.300 -0.274 0.000 0.976 538 D CA 0.902 54.827 54.000 -0.124 0.000 0.853 538 D CB -0.007 40.792 40.800 -0.003 0.000 0.939 538 D HN 0.055 nan 8.370 nan 0.000 0.481 539 T N 0.894 115.227 114.554 -0.368 0.000 2.750 539 T HA 0.189 4.539 4.350 -0.000 0.000 0.286 539 T C -0.235 174.171 174.700 -0.489 0.000 0.911 539 T CA 0.113 62.045 62.100 -0.280 0.000 1.130 539 T CB -0.262 68.471 68.868 -0.225 0.000 0.873 539 T HN -0.119 nan 8.240 nan 0.000 0.536 540 F N 2.883 122.905 119.950 0.119 0.000 2.532 540 F HA 0.643 5.170 4.527 -0.000 0.000 0.321 540 F C 0.258 176.175 175.800 0.196 0.000 1.089 540 F CA -1.205 56.875 58.000 0.134 0.000 0.926 540 F CB 1.530 40.592 39.000 0.103 0.000 1.168 540 F HN 0.295 nan 8.300 nan 0.000 0.459 541 I N 2.155 122.982 120.570 0.429 0.000 2.498 541 I HA 0.287 4.457 4.170 -0.000 0.000 0.290 541 I C -0.756 175.618 176.117 0.428 0.000 1.032 541 I CA -0.783 60.743 61.300 0.377 0.000 1.073 541 I CB 2.151 40.343 38.000 0.321 0.000 1.251 541 I HN 0.633 nan 8.210 nan 0.000 0.426 542 E N 5.110 125.506 120.200 0.327 0.000 2.283 542 E HA 0.202 4.552 4.350 -0.000 0.000 0.267 542 E C 0.709 177.445 176.600 0.227 0.000 1.045 542 E CA -0.793 55.815 56.400 0.347 0.000 0.884 542 E CB 1.725 31.565 29.700 0.232 0.000 1.106 542 E HN 0.403 nan 8.360 nan 0.000 0.408 543 L N 2.679 124.076 121.223 0.290 0.000 2.017 543 L HA -0.374 3.966 4.340 -0.000 0.000 0.234 543 L C 1.997 178.823 176.870 -0.073 0.000 1.097 543 L CA 2.957 57.787 54.840 -0.017 0.000 0.816 543 L CB -1.056 41.115 42.059 0.187 0.000 0.914 543 L HN 0.965 nan 8.230 nan 0.000 0.444 544 D N -1.242 119.175 120.400 0.028 0.000 2.191 544 D HA -0.348 4.292 4.640 -0.000 0.000 0.190 544 D C 1.949 178.272 176.300 0.038 0.000 1.007 544 D CA 2.485 56.502 54.000 0.030 0.000 0.865 544 D CB -0.643 40.190 40.800 0.054 0.000 0.929 544 D HN 0.749 nan 8.370 nan 0.000 0.447 545 Q N -0.017 119.825 119.800 0.069 0.000 2.061 545 Q HA -0.018 4.322 4.340 -0.000 0.000 0.195 545 Q C 2.663 178.706 176.000 0.072 0.000 0.967 545 Q CA 0.667 56.558 55.803 0.146 0.000 0.829 545 Q CB 0.185 29.033 28.738 0.184 0.000 0.900 545 Q HN 0.170 nan 8.270 nan 0.000 0.450 546 V N 1.733 121.604 119.914 -0.072 0.000 2.363 546 V HA -0.341 3.779 4.120 -0.000 0.000 0.254 546 V C 2.272 178.169 176.094 -0.328 0.000 1.074 546 V CA 1.653 63.787 62.300 -0.276 0.000 1.069 546 V CB -0.607 30.760 31.823 -0.759 0.000 0.659 546 V HN 0.416 nan 8.190 nan 0.000 0.455 547 L N -0.309 120.744 121.223 -0.282 0.000 2.046 547 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 547 L C 2.489 179.247 176.870 -0.188 0.000 1.077 547 L CA 1.577 56.253 54.840 -0.273 0.000 0.747 547 L CB -0.744 41.212 42.059 -0.172 0.000 0.896 547 L HN 0.423 nan 8.230 nan 0.000 0.432 548 N N -0.018 118.664 118.700 -0.030 0.000 2.106 548 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 548 N C 1.932 177.431 175.510 -0.017 0.000 1.029 548 N CA 1.278 54.344 53.050 0.026 0.000 0.848 548 N CB -0.193 38.407 38.487 0.187 0.000 1.007 548 N HN 0.272 nan 8.380 nan 0.000 0.423 549 M N 0.726 120.365 119.600 0.066 0.000 2.082 549 M HA -0.173 4.307 4.480 -0.000 0.000 0.258 549 M C 2.156 178.394 176.300 -0.102 0.000 1.069 549 M CA 1.346 56.687 55.300 0.068 0.000 1.102 549 M CB -0.631 32.052 32.600 0.137 0.000 1.336 549 M HN 0.120 nan 8.290 nan 0.000 0.404 550 L N -1.387 119.634 121.223 -0.337 0.000 1.989 550 L HA -0.266 4.074 4.340 -0.000 0.000 0.211 550 L C 2.645 179.231 176.870 -0.473 0.000 1.071 550 L CA 1.519 55.927 54.840 -0.721 0.000 0.749 550 L CB -1.030 40.145 42.059 -1.474 0.000 0.890 550 L HN 0.216 nan 8.230 nan 0.000 0.431 551 Y N -0.508 119.500 120.300 -0.487 0.000 2.241 551 Y HA -0.295 4.255 4.550 -0.000 0.000 0.286 551 Y C 2.193 178.007 175.900 -0.143 0.000 1.166 551 Y CA 1.028 59.008 58.100 -0.201 0.000 1.203 551 Y CB -0.718 37.613 38.460 -0.216 0.000 0.977 551 Y HN 0.119 nan 8.280 nan 0.000 0.529 552 W N -0.232 120.902 121.300 -0.276 0.000 2.374 552 W HA -0.079 4.581 4.660 -0.000 0.000 0.288 552 W C 0.644 177.041 176.519 -0.204 0.000 1.218 552 W CA 1.077 58.222 57.345 -0.333 0.000 1.245 552 W CB -0.269 28.967 29.460 -0.374 0.000 1.126 552 W HN -0.350 nan 8.180 nan 0.000 0.545 553 V N 4.088 124.075 119.914 0.121 0.000 2.415 553 V HA -0.039 4.081 4.120 -0.000 0.000 0.267 553 V C -0.789 175.380 176.094 0.126 0.000 1.042 553 V CA -0.799 61.580 62.300 0.132 0.000 1.000 553 V CB 0.619 32.523 31.823 0.135 0.000 1.015 553 V HN -0.053 nan 8.190 nan 0.000 0.478 554 P HA -0.137 nan 4.420 nan 0.000 0.223 554 P C 0.530 177.878 177.300 0.081 0.000 1.144 554 P CA 1.209 64.329 63.100 0.034 0.000 0.783 554 P CB 0.503 32.215 31.700 0.021 0.000 0.771 555 D N -2.324 118.148 120.400 0.120 0.000 2.380 555 D HA -0.026 4.614 4.640 -0.000 0.000 0.212 555 D C 0.628 177.013 176.300 0.142 0.000 1.021 555 D CA -0.272 53.790 54.000 0.103 0.000 0.884 555 D CB -0.599 40.252 40.800 0.085 0.000 1.001 555 D HN 0.118 nan 8.370 nan 0.000 0.506 556 W N 5.033 126.352 121.300 0.032 0.000 2.560 556 W HA -0.186 4.474 4.660 0.000 0.000 0.338 556 W C 0.481 177.024 176.519 0.041 0.000 0.931 556 W CA -0.195 57.175 57.345 0.041 0.000 1.018 556 W CB 0.089 29.584 29.460 0.058 0.000 1.056 556 W HN -0.005 nan 8.180 nan 0.000 0.560 557 D N 4.223 124.359 120.400 -0.440 0.000 2.348 557 D HA 0.078 4.718 4.640 -0.000 0.000 0.248 557 D C 1.502 177.264 176.300 -0.897 0.000 1.142 557 D CA 0.532 54.232 54.000 -0.500 0.000 0.904 557 D CB -0.742 39.914 40.800 -0.240 0.000 0.901 557 D HN 0.830 nan 8.370 nan 0.000 0.523 558 G N -0.430 107.134 108.800 -2.060 0.000 2.338 558 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.296 558 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.296 558 G C -0.131 174.214 174.900 -0.926 0.000 1.040 558 G CA 0.243 44.040 45.100 -2.173 0.000 1.004 558 G HN 0.447 nan 8.290 nan 0.000 0.509 559 V N 1.953 121.565 119.914 -0.503 0.000 2.380 559 V HA 0.311 4.431 4.120 -0.000 0.000 0.272 559 V C 0.821 177.204 176.094 0.482 0.000 1.011 559 V CA -0.989 61.364 62.300 0.088 0.000 0.826 559 V CB 1.210 33.051 31.823 0.030 0.000 1.040 559 V HN 0.415 nan 8.190 nan 0.000 0.441 560 I N 7.637 128.497 120.570 0.482 0.000 2.752 560 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 560 I C -1.363 174.956 176.117 0.337 0.000 1.180 560 I CA -0.802 60.724 61.300 0.378 0.000 1.404 560 I CB 0.583 38.742 38.000 0.265 0.000 1.389 560 I HN 0.394 nan 8.210 nan 0.000 0.549 561 P HA 0.092 nan 4.420 nan 0.000 0.275 561 P C -0.410 177.180 177.300 0.482 0.000 1.228 561 P CA -0.348 62.961 63.100 0.347 0.000 0.786 561 P CB 0.506 32.388 31.700 0.304 0.000 0.927 562 T N 4.357 119.075 114.554 0.274 0.000 2.871 562 T HA 0.129 4.479 4.350 -0.000 0.000 0.296 562 T C -2.100 172.573 174.700 -0.044 0.000 0.998 562 T CA -0.464 61.721 62.100 0.143 0.000 1.162 562 T CB -0.881 68.020 68.868 0.055 0.000 0.947 562 T HN 0.355 nan 8.240 nan 0.000 0.536 563 P HA 0.144 nan 4.420 nan 0.000 0.264 563 P C 0.473 177.489 177.300 -0.473 0.000 1.193 563 P CA -0.147 62.276 63.100 -1.129 0.000 0.763 563 P CB 0.367 31.231 31.700 -1.394 0.000 0.810 564 A N 4.459 127.090 122.820 -0.314 0.000 2.024 564 A HA -0.090 4.229 4.320 -0.000 0.000 0.220 564 A C 0.973 178.479 177.584 -0.130 0.000 1.164 564 A CA 1.279 53.250 52.037 -0.111 0.000 0.643 564 A CB -0.654 18.356 19.000 0.017 0.000 0.806 564 A HN 0.553 nan 8.150 nan 0.000 0.451 565 I N -0.224 120.215 120.570 -0.218 0.000 2.410 565 I HA 0.288 4.458 4.170 -0.000 0.000 0.286 565 I C 0.338 176.297 176.117 -0.264 0.000 1.009 565 I CA -0.320 60.856 61.300 -0.205 0.000 1.111 565 I CB 1.816 39.687 38.000 -0.215 0.000 1.262 565 I HN 0.178 nan 8.210 nan 0.000 0.443 566 I N 5.244 125.698 120.570 -0.192 0.000 2.899 566 I HA -0.033 4.137 4.170 -0.000 0.000 0.257 566 I C 1.786 177.830 176.117 -0.123 0.000 1.115 566 I CA -0.059 61.140 61.300 -0.169 0.000 1.451 566 I CB -0.369 37.558 38.000 -0.121 0.000 1.251 566 I HN 0.571 nan 8.210 nan 0.000 0.456 567 K N 2.588 122.927 120.400 -0.102 0.000 2.585 567 K HA -0.255 4.065 4.320 -0.000 0.000 0.099 567 K C -1.116 175.441 176.600 -0.071 0.000 0.735 567 K CA 1.703 57.942 56.287 -0.080 0.000 0.825 567 K CB -2.776 29.671 32.500 -0.088 0.000 0.283 567 K HN 0.088 nan 8.250 nan 0.000 1.066 568 P HA -0.157 nan 4.420 nan 0.000 0.213 568 P C 0.028 177.298 177.300 -0.050 0.000 1.170 568 P CA 1.519 64.587 63.100 -0.053 0.000 0.893 568 P CB 0.051 31.719 31.700 -0.052 0.000 0.784 569 K N 0.753 121.112 120.400 -0.067 0.000 2.292 569 K HA 0.349 4.669 4.320 -0.000 0.000 0.257 569 K C -2.590 173.957 176.600 -0.088 0.000 0.940 569 K CA -2.726 53.531 56.287 -0.050 0.000 0.811 569 K CB 2.055 34.535 32.500 -0.034 0.000 1.120 569 K HN -0.084 nan 8.250 nan 0.000 0.428 570 P HA 0.121 nan 4.420 nan 0.000 0.280 570 P C -1.192 175.994 177.300 -0.189 0.000 1.300 570 P CA -0.405 62.566 63.100 -0.214 0.000 0.785 570 P CB 0.685 32.291 31.700 -0.158 0.000 0.874 571 L N 4.611 125.662 121.223 -0.287 0.000 2.341 571 L HA 0.593 4.933 4.340 -0.000 0.000 0.267 571 L C -0.106 176.693 176.870 -0.118 0.000 1.009 571 L CA -0.594 54.236 54.840 -0.017 0.000 0.819 571 L CB 1.511 43.567 42.059 -0.005 0.000 1.323 571 L HN 0.425 nan 8.230 nan 0.000 0.425 572 W N 0.499 121.904 121.300 0.175 0.000 2.781 572 W HA 0.615 5.275 4.660 -0.000 0.000 0.345 572 W C -0.228 176.411 176.519 0.200 0.000 1.085 572 W CA -0.699 56.739 57.345 0.156 0.000 1.198 572 W CB 2.342 31.861 29.460 0.099 0.000 1.423 572 W HN 0.525 nan 8.180 nan 0.000 0.532 573 S N -0.387 115.499 115.700 0.311 0.000 2.593 573 S HA 0.513 4.983 4.470 -0.000 0.000 0.297 573 S C 0.861 175.465 174.600 0.008 0.000 1.112 573 S CA -0.075 58.175 58.200 0.084 0.000 1.043 573 S CB 1.804 64.993 63.200 -0.018 0.000 1.054 573 S HN 0.645 nan 8.310 nan 0.000 0.516 574 G N 1.864 110.580 108.800 -0.139 0.000 2.553 574 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 574 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 574 G C 1.186 175.993 174.900 -0.155 0.000 1.195 574 G CA 1.072 46.039 45.100 -0.222 0.000 0.779 574 G HN 0.813 nan 8.290 nan 0.000 0.577 575 K N 0.059 120.373 120.400 -0.144 0.000 2.144 575 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 575 K C 2.654 179.229 176.600 -0.042 0.000 1.047 575 K CA 1.714 57.943 56.287 -0.098 0.000 0.927 575 K CB -0.205 32.248 32.500 -0.078 0.000 0.716 575 K HN 0.459 nan 8.250 nan 0.000 0.454 576 Q N 0.463 120.268 119.800 0.007 0.000 1.917 576 Q HA -0.169 4.171 4.340 -0.000 0.000 0.205 576 Q C 2.355 178.391 176.000 0.060 0.000 0.988 576 Q CA 2.002 57.848 55.803 0.073 0.000 0.851 576 Q CB -0.291 28.554 28.738 0.178 0.000 0.916 576 Q HN 0.478 nan 8.270 nan 0.000 0.424 577 I N -1.086 119.518 120.570 0.057 0.000 2.264 577 I HA -0.244 3.926 4.170 -0.000 0.000 0.248 577 I C 2.328 178.433 176.117 -0.020 0.000 1.111 577 I CA 1.090 62.394 61.300 0.007 0.000 1.382 577 I CB -0.524 37.459 38.000 -0.029 0.000 1.060 577 I HN 0.170 nan 8.210 nan 0.000 0.418 578 L N 1.548 122.740 121.223 -0.052 0.000 2.129 578 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 578 L C 2.379 179.226 176.870 -0.038 0.000 1.087 578 L CA 1.919 56.719 54.840 -0.067 0.000 0.757 578 L CB -0.718 41.272 42.059 -0.114 0.000 0.896 578 L HN 0.258 nan 8.230 nan 0.000 0.434 579 S N -1.412 114.276 115.700 -0.021 0.000 2.547 579 S HA -0.056 4.414 4.470 -0.000 0.000 0.235 579 S C 1.796 176.411 174.600 0.026 0.000 0.980 579 S CA 0.889 59.086 58.200 -0.005 0.000 0.941 579 S CB -0.291 62.910 63.200 0.002 0.000 0.763 579 S HN 0.381 nan 8.310 nan 0.000 0.532 580 V N 1.302 121.239 119.914 0.038 0.000 2.667 580 V HA -0.063 4.057 4.120 -0.000 0.000 0.252 580 V C 2.466 178.606 176.094 0.076 0.000 1.065 580 V CA 1.439 63.788 62.300 0.082 0.000 1.083 580 V CB -0.970 30.901 31.823 0.079 0.000 0.692 580 V HN 0.533 nan 8.190 nan 0.000 0.468 581 A N -0.060 122.783 122.820 0.039 0.000 1.970 581 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 581 A C 1.230 178.826 177.584 0.021 0.000 1.170 581 A CA 0.445 52.502 52.037 0.033 0.000 0.645 581 A CB -0.329 18.675 19.000 0.006 0.000 0.816 581 A HN 0.495 nan 8.150 nan 0.000 0.447 582 I N 2.946 123.520 120.570 0.006 0.000 2.421 582 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 582 I C -1.861 174.267 176.117 0.018 0.000 1.089 582 I CA -1.818 59.481 61.300 -0.002 0.000 1.354 582 I CB 0.565 38.553 38.000 -0.020 0.000 1.413 582 I HN 0.193 nan 8.210 nan 0.000 0.513 583 P HA -0.014 nan 4.420 nan 0.000 0.272 583 P C -0.790 176.527 177.300 0.029 0.000 1.248 583 P CA -0.183 62.936 63.100 0.032 0.000 0.799 583 P CB 0.529 32.249 31.700 0.033 0.000 0.997 584 N N -0.895 117.824 118.700 0.032 0.000 2.493 584 N HA 0.282 5.022 4.740 -0.000 0.000 0.275 584 N C 1.398 176.929 175.510 0.035 0.000 1.186 584 N CA 0.529 53.597 53.050 0.030 0.000 0.978 584 N CB 0.050 38.554 38.487 0.028 0.000 1.184 584 N HN 0.792 nan 8.380 nan 0.000 0.487 585 G N -0.301 108.522 108.800 0.039 0.000 2.184 585 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 585 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 585 G C -0.110 174.836 174.900 0.077 0.000 0.975 585 G CA -0.211 44.924 45.100 0.058 0.000 0.642 585 G HN 0.475 nan 8.290 nan 0.000 0.536 586 I N 1.824 122.428 120.570 0.056 0.000 2.337 586 I HA 0.319 4.489 4.170 -0.000 0.000 0.291 586 I C 0.187 176.351 176.117 0.077 0.000 1.046 586 I CA -0.713 60.624 61.300 0.060 0.000 1.324 586 I CB 0.732 38.748 38.000 0.026 0.000 1.409 586 I HN 0.145 nan 8.210 nan 0.000 0.494 587 H N 7.600 126.674 119.070 0.007 0.000 2.481 587 H HA 0.597 5.153 4.556 -0.000 0.000 0.333 587 H C -1.620 173.705 175.328 -0.006 0.000 1.066 587 H CA -0.656 55.395 56.048 0.005 0.000 1.209 587 H CB 1.972 31.748 29.762 0.023 0.000 1.445 587 H HN 0.438 nan 8.280 nan 0.000 0.488 588 L N 3.951 125.281 121.223 0.177 0.000 2.409 588 L HA 0.433 4.773 4.340 -0.000 0.000 0.262 588 L C -1.444 175.478 176.870 0.087 0.000 0.992 588 L CA -0.365 54.548 54.840 0.122 0.000 0.817 588 L CB 2.184 44.248 42.059 0.009 0.000 1.350 588 L HN 0.708 nan 8.230 nan 0.000 0.411 589 Q N 3.339 123.199 119.800 0.101 0.000 2.320 589 Q HA 0.431 4.771 4.340 -0.000 0.000 0.272 589 Q C -1.011 175.072 176.000 0.137 0.000 1.023 589 Q CA -0.416 55.453 55.803 0.111 0.000 0.855 589 Q CB 2.604 31.482 28.738 0.233 0.000 1.367 589 Q HN 0.846 nan 8.270 nan 0.000 0.406 590 R N 1.930 122.521 120.500 0.153 0.000 3.069 590 R HA 0.450 4.790 4.340 -0.000 0.000 0.141 590 R C -0.956 175.604 176.300 0.433 0.000 1.845 590 R CA 0.328 56.545 56.100 0.195 0.000 1.419 590 R CB 0.798 31.134 30.300 0.061 0.000 1.346 590 R HN 0.587 nan 8.270 nan 0.000 0.467 591 F N 1.264 121.246 119.950 0.053 0.000 2.165 591 F HA -0.204 4.323 4.527 -0.000 0.000 0.519 591 F C 0.007 175.835 175.800 0.046 0.000 1.286 591 F CA 0.182 58.229 58.000 0.077 0.000 1.666 591 F CB -0.620 38.424 39.000 0.073 0.000 2.661 591 F HN 0.399 nan 8.300 nan 0.000 0.725 592 D N 1.906 122.395 120.400 0.148 0.000 2.255 592 D HA 0.064 4.704 4.640 -0.000 0.000 0.224 592 D C 1.284 177.644 176.300 0.101 0.000 0.997 592 D CA 1.508 55.567 54.000 0.098 0.000 0.906 592 D CB 0.358 41.187 40.800 0.049 0.000 1.047 592 D HN 0.742 nan 8.370 nan 0.000 0.458 593 E N -0.773 119.479 120.200 0.087 0.000 3.353 593 E HA 0.209 4.558 4.350 -0.000 0.000 0.217 593 E C 1.109 177.760 176.600 0.084 0.000 1.242 593 E CA -0.040 56.407 56.400 0.077 0.000 1.162 593 E CB 0.050 29.776 29.700 0.043 0.000 2.813 593 E HN 0.060 nan 8.360 nan 0.000 0.550 594 G N 2.292 111.122 108.800 0.050 0.000 3.324 594 G HA2 0.021 3.980 3.960 -0.000 0.000 0.232 594 G HA3 0.021 3.980 3.960 -0.000 0.000 0.232 594 G C -0.175 174.741 174.900 0.027 0.000 1.213 594 G CA 0.293 45.416 45.100 0.038 0.000 1.637 594 G HN 0.009 nan 8.290 nan 0.000 0.572 595 T N 0.817 115.410 114.554 0.065 0.000 2.889 595 T HA 0.488 4.838 4.350 -0.000 0.000 0.291 595 T C 0.574 175.302 174.700 0.047 0.000 0.995 595 T CA 0.106 62.189 62.100 -0.028 0.000 1.092 595 T CB 1.386 70.199 68.868 -0.092 0.000 0.954 595 T HN 0.323 nan 8.240 nan 0.000 0.506 596 T N 0.186 114.667 114.554 -0.121 0.000 4.200 596 T HA 0.265 4.615 4.350 -0.000 0.000 0.210 596 T C 0.448 175.088 174.700 -0.100 0.000 0.898 596 T CA -0.823 61.303 62.100 0.043 0.000 1.549 596 T CB -0.756 68.127 68.868 0.026 0.000 0.757 596 T HN 0.366 nan 8.240 nan 0.000 0.613 597 L N -0.600 120.541 121.223 -0.137 0.000 4.708 597 L HA -0.214 4.126 4.340 -0.000 0.000 0.447 597 L C 0.949 177.537 176.870 -0.470 0.000 1.091 597 L CA 1.830 56.562 54.840 -0.180 0.000 0.937 597 L CB -1.555 40.551 42.059 0.079 0.000 1.771 597 L HN 0.741 nan 8.230 nan 0.000 1.002 598 L N -0.938 119.961 121.223 -0.540 0.000 3.695 598 L HA 0.240 4.580 4.340 -0.000 0.000 0.349 598 L C 0.735 177.348 176.870 -0.428 0.000 1.304 598 L CA 0.373 54.945 54.840 -0.447 0.000 1.078 598 L CB 0.429 42.362 42.059 -0.211 0.000 1.440 598 L HN 0.225 nan 8.230 nan 0.000 0.620 599 S N 0.631 115.991 115.700 -0.567 0.000 4.359 599 S HA -0.086 4.384 4.470 -0.000 0.000 0.523 599 S C -1.091 173.387 174.600 -0.203 0.000 0.950 599 S CA -0.075 57.926 58.200 -0.332 0.000 1.346 599 S CB -0.481 62.548 63.200 -0.285 0.000 0.952 599 S HN 0.423 nan 8.310 nan 0.000 0.516 600 P HA -0.102 nan 4.420 nan 0.000 0.217 600 P C 0.616 177.886 177.300 -0.050 0.000 1.151 600 P CA 1.157 64.211 63.100 -0.077 0.000 0.828 600 P CB 0.075 31.743 31.700 -0.053 0.000 0.788 601 K N -0.486 119.890 120.400 -0.041 0.000 2.458 601 K HA 0.043 4.363 4.320 -0.000 0.000 0.194 601 K C 0.007 176.599 176.600 -0.014 0.000 1.024 601 K CA -0.047 56.228 56.287 -0.020 0.000 1.108 601 K CB -0.483 32.011 32.500 -0.010 0.000 0.846 601 K HN -0.084 nan 8.250 nan 0.000 0.518 602 D N 1.577 121.965 120.400 -0.020 0.000 2.737 602 D HA -0.157 4.483 4.640 -0.000 0.000 0.238 602 D C -0.698 175.624 176.300 0.036 0.000 1.157 602 D CA 0.475 54.487 54.000 0.019 0.000 0.694 602 D CB -0.959 39.844 40.800 0.005 0.000 1.021 602 D HN 0.209 nan 8.370 nan 0.000 0.420 603 N N -0.290 118.434 118.700 0.040 0.000 2.593 603 N HA 0.656 5.396 4.740 -0.000 0.000 0.304 603 N C 1.507 177.044 175.510 0.044 0.000 1.296 603 N CA 0.226 53.292 53.050 0.027 0.000 0.950 603 N CB -0.129 38.363 38.487 0.008 0.000 1.127 603 N HN 0.391 nan 8.380 nan 0.000 0.587 604 G N 0.499 109.299 108.800 -0.000 0.000 2.629 604 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.335 604 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.335 604 G C -0.221 174.609 174.900 -0.117 0.000 1.347 604 G CA 1.316 46.389 45.100 -0.044 0.000 0.979 604 G HN 0.660 nan 8.290 nan 0.000 0.534 605 M N -1.795 117.641 119.600 -0.273 0.000 2.361 605 M HA 0.616 5.096 4.480 -0.000 0.000 0.274 605 M C -2.126 173.815 176.300 -0.599 0.000 1.035 605 M CA -0.531 54.524 55.300 -0.408 0.000 0.907 605 M CB 1.642 34.120 32.600 -0.203 0.000 1.971 605 M HN 1.419 nan 8.290 nan 0.000 0.494 606 L N 6.651 127.319 121.223 -0.926 0.000 2.406 606 L HA 0.831 5.171 4.340 -0.000 0.000 0.270 606 L C -2.040 174.565 176.870 -0.441 0.000 0.982 606 L CA -0.145 54.263 54.840 -0.720 0.000 0.843 606 L CB 1.376 42.807 42.059 -1.047 0.000 1.225 606 L HN 0.772 nan 8.230 nan 0.000 0.412 607 I N 6.089 126.485 120.570 -0.289 0.000 2.465 607 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 607 I C -0.705 175.228 176.117 -0.306 0.000 1.014 607 I CA -0.543 60.622 61.300 -0.225 0.000 1.093 607 I CB 1.978 39.887 38.000 -0.152 0.000 1.267 607 I HN 0.475 nan 8.210 nan 0.000 0.431 608 I N 4.492 124.908 120.570 -0.257 0.000 2.533 608 I HA 0.230 4.400 4.170 -0.000 0.000 0.290 608 I C -0.283 175.756 176.117 -0.130 0.000 1.056 608 I CA -0.454 60.654 61.300 -0.320 0.000 1.057 608 I CB 1.881 39.714 38.000 -0.279 0.000 1.240 608 I HN 0.665 nan 8.210 nan 0.000 0.423 609 D N 4.888 125.244 120.400 -0.074 0.000 2.737 609 D HA -0.196 4.444 4.640 -0.000 0.000 0.233 609 D C 0.931 177.228 176.300 -0.005 0.000 1.155 609 D CA 1.643 55.641 54.000 -0.003 0.000 0.667 609 D CB -0.694 40.114 40.800 0.013 0.000 1.060 609 D HN 1.182 nan 8.370 nan 0.000 0.427 610 G N -0.416 108.372 108.800 -0.020 0.000 2.198 610 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.257 610 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.257 610 G C -0.303 174.587 174.900 -0.017 0.000 1.042 610 G CA 0.437 45.530 45.100 -0.013 0.000 0.791 610 G HN 0.501 nan 8.290 nan 0.000 0.502 611 Q N -0.576 119.200 119.800 -0.039 0.000 2.285 611 Q HA 0.443 4.783 4.340 -0.000 0.000 0.269 611 Q C 0.315 176.279 176.000 -0.061 0.000 1.030 611 Q CA -0.769 55.016 55.803 -0.030 0.000 0.788 611 Q CB 1.840 30.574 28.738 -0.007 0.000 1.266 611 Q HN 0.414 nan 8.270 nan 0.000 0.438 612 I N 3.618 124.152 120.570 -0.059 0.000 2.587 612 I HA -0.027 4.143 4.170 -0.000 0.000 0.284 612 I C 1.301 177.381 176.117 -0.062 0.000 1.134 612 I CA 0.379 61.626 61.300 -0.088 0.000 1.410 612 I CB 0.445 38.394 38.000 -0.084 0.000 1.392 612 I HN 0.621 nan 8.210 nan 0.000 0.545 613 I N 6.844 127.358 120.570 -0.093 0.000 2.927 613 I HA 0.072 4.242 4.170 -0.000 0.000 0.268 613 I C 0.073 176.275 176.117 0.140 0.000 1.153 613 I CA 0.581 61.888 61.300 0.013 0.000 1.459 613 I CB 0.303 38.324 38.000 0.035 0.000 1.149 613 I HN 0.548 nan 8.210 nan 0.000 0.443 614 F N -0.321 119.585 119.950 -0.072 0.000 2.744 614 F HA 0.694 5.220 4.527 -0.000 0.000 0.311 614 F C -0.575 175.166 175.800 -0.099 0.000 1.144 614 F CA -0.840 57.109 58.000 -0.084 0.000 0.938 614 F CB 0.426 39.374 39.000 -0.087 0.000 1.292 614 F HN -0.013 nan 8.300 nan 0.000 0.444 615 G N 0.969 109.887 108.800 0.198 0.000 2.784 615 G HA2 0.299 4.259 3.960 -0.000 0.000 0.686 615 G HA3 0.299 4.259 3.960 -0.000 0.000 0.686 615 G C -1.499 173.382 174.900 -0.032 0.000 1.156 615 G CA -0.659 44.481 45.100 0.067 0.000 0.757 615 G HN 1.329 nan 8.290 nan 0.000 0.642 616 V N 1.194 121.087 119.914 -0.035 0.000 2.775 616 V HA 0.442 4.562 4.120 -0.000 0.000 0.299 616 V C 1.116 177.161 176.094 -0.081 0.000 1.062 616 V CA -0.539 61.721 62.300 -0.066 0.000 1.063 616 V CB 1.618 33.407 31.823 -0.056 0.000 0.994 616 V HN 0.888 nan 8.190 nan 0.000 0.483 617 V N 4.752 124.605 119.914 -0.101 0.000 2.333 617 V HA 0.512 4.632 4.120 -0.000 0.000 0.274 617 V C -0.012 176.026 176.094 -0.093 0.000 1.028 617 V CA -0.169 62.069 62.300 -0.102 0.000 0.851 617 V CB 0.926 32.677 31.823 -0.119 0.000 1.000 617 V HN 1.177 nan 8.190 nan 0.000 0.456 618 E N 3.142 123.298 120.200 -0.074 0.000 2.415 618 E HA 0.453 4.803 4.350 -0.000 0.000 0.255 618 E C 0.801 177.371 176.600 -0.050 0.000 0.936 618 E CA -0.922 55.441 56.400 -0.063 0.000 0.876 618 E CB 0.683 30.353 29.700 -0.050 0.000 1.696 618 E HN 0.064 nan 8.360 nan 0.000 0.435 619 K N 0.325 120.703 120.400 -0.037 0.000 2.071 619 K HA -0.296 4.024 4.320 -0.000 0.000 0.217 619 K C 1.428 178.016 176.600 -0.020 0.000 1.054 619 K CA 2.534 58.806 56.287 -0.025 0.000 0.937 619 K CB -0.276 32.217 32.500 -0.012 0.000 0.719 619 K HN 0.432 nan 8.250 nan 0.000 0.454 620 K N -0.680 119.711 120.400 -0.016 0.000 2.360 620 K HA -0.107 4.213 4.320 -0.000 0.000 0.201 620 K C 1.703 178.293 176.600 -0.015 0.000 1.046 620 K CA 1.641 57.923 56.287 -0.009 0.000 0.940 620 K CB 0.041 32.538 32.500 -0.005 0.000 0.748 620 K HN 0.274 nan 8.250 nan 0.000 0.465 621 T N -0.760 113.774 114.554 -0.033 0.000 3.071 621 T HA 0.027 4.376 4.350 -0.000 0.000 0.239 621 T C 1.418 176.085 174.700 -0.055 0.000 0.997 621 T CA 0.236 62.309 62.100 -0.046 0.000 1.134 621 T CB 0.399 69.227 68.868 -0.067 0.000 0.928 621 T HN 0.012 nan 8.240 nan 0.000 0.453 622 V N 1.605 121.479 119.914 -0.067 0.000 3.276 622 V HA 0.532 4.652 4.120 -0.000 0.000 0.319 622 V C 0.863 176.909 176.094 -0.079 0.000 1.427 622 V CA -0.067 62.176 62.300 -0.096 0.000 1.102 622 V CB -0.272 31.480 31.823 -0.118 0.000 1.020 622 V HN 0.464 nan 8.190 nan 0.000 0.456 623 G N 0.208 108.985 108.800 -0.039 0.000 2.531 623 G HA2 0.298 4.258 3.960 -0.000 0.000 0.281 623 G HA3 0.298 4.258 3.960 -0.000 0.000 0.281 623 G C 0.701 175.605 174.900 0.006 0.000 1.382 623 G CA 0.383 45.477 45.100 -0.010 0.000 1.045 623 G HN 0.601 nan 8.290 nan 0.000 0.533 624 S N -0.579 115.134 115.700 0.023 0.000 2.767 624 S HA 0.229 4.699 4.470 -0.000 0.000 0.253 624 S C 0.971 175.574 174.600 0.006 0.000 1.082 624 S CA 0.144 58.357 58.200 0.021 0.000 1.148 624 S CB -0.996 62.215 63.200 0.018 0.000 0.808 624 S HN 0.892 nan 8.310 nan 0.000 0.466 625 S N 1.025 116.735 115.700 0.016 0.000 2.584 625 S HA 0.212 4.682 4.470 -0.000 0.000 0.270 625 S C 1.143 175.777 174.600 0.057 0.000 1.346 625 S CA -0.635 57.583 58.200 0.029 0.000 1.018 625 S CB 0.443 63.658 63.200 0.025 0.000 0.899 625 S HN 0.411 nan 8.310 nan 0.000 0.542 626 N N 2.054 120.802 118.700 0.081 0.000 2.013 626 N HA -0.092 4.648 4.740 -0.000 0.000 0.195 626 N C 1.642 177.310 175.510 0.264 0.000 1.051 626 N CA 1.758 54.909 53.050 0.168 0.000 0.851 626 N CB -1.013 37.555 38.487 0.134 0.000 1.044 626 N HN 0.889 nan 8.380 nan 0.000 0.422 627 G N 0.156 109.034 108.800 0.131 0.000 3.210 627 G HA2 0.192 4.152 3.960 -0.000 0.000 0.220 627 G HA3 0.192 4.152 3.960 -0.000 0.000 0.220 627 G C 0.588 175.533 174.900 0.075 0.000 1.200 627 G CA 0.114 45.262 45.100 0.080 0.000 0.834 627 G HN 0.408 nan 8.290 nan 0.000 0.524 628 G N -0.098 108.771 108.800 0.115 0.000 2.460 628 G HA2 0.022 3.982 3.960 -0.000 0.000 0.230 628 G HA3 0.022 3.982 3.960 -0.000 0.000 0.230 628 G C 1.061 175.989 174.900 0.046 0.000 1.248 628 G CA -0.493 44.650 45.100 0.071 0.000 0.863 628 G HN 0.206 nan 8.290 nan 0.000 0.549 629 L N 2.077 123.296 121.223 -0.007 0.000 2.127 629 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 629 L C 2.414 179.270 176.870 -0.023 0.000 1.089 629 L CA 1.672 56.494 54.840 -0.030 0.000 0.757 629 L CB -0.445 41.571 42.059 -0.072 0.000 0.899 629 L HN 0.673 nan 8.230 nan 0.000 0.434 630 I N -0.968 119.587 120.570 -0.024 0.000 2.235 630 I HA -0.264 3.906 4.170 -0.000 0.000 0.241 630 I C 2.566 178.748 176.117 0.110 0.000 1.085 630 I CA 0.849 62.147 61.300 -0.003 0.000 1.378 630 I CB -0.617 37.368 38.000 -0.025 0.000 1.076 630 I HN 0.254 nan 8.210 nan 0.000 0.415 631 H N 0.888 119.962 119.070 0.006 0.000 2.431 631 H HA -0.153 4.403 4.556 -0.000 0.000 0.297 631 H C 2.001 177.338 175.328 0.015 0.000 1.115 631 H CA 1.844 57.900 56.048 0.014 0.000 1.277 631 H CB -0.177 29.593 29.762 0.013 0.000 1.372 631 H HN 0.114 nan 8.280 nan 0.000 0.516 632 V N -0.669 119.302 119.914 0.095 0.000 2.273 632 V HA -0.161 3.959 4.120 -0.000 0.000 0.242 632 V C 2.826 178.947 176.094 0.043 0.000 1.035 632 V CA 1.271 63.581 62.300 0.017 0.000 1.013 632 V CB -0.752 31.076 31.823 0.008 0.000 0.652 632 V HN 0.235 nan 8.190 nan 0.000 0.452 633 V N 0.502 120.443 119.914 0.045 0.000 2.453 633 V HA -0.297 3.823 4.120 -0.000 0.000 0.252 633 V C 2.525 178.658 176.094 0.064 0.000 1.068 633 V CA 2.601 64.928 62.300 0.044 0.000 1.070 633 V CB -1.324 30.513 31.823 0.024 0.000 0.664 633 V HN 0.639 nan 8.190 nan 0.000 0.461 634 T N -0.271 114.335 114.554 0.088 0.000 2.668 634 T HA -0.148 4.202 4.350 -0.000 0.000 0.262 634 T C 2.103 176.849 174.700 0.078 0.000 1.045 634 T CA 1.285 63.440 62.100 0.092 0.000 1.152 634 T CB -0.249 68.684 68.868 0.108 0.000 0.864 634 T HN 0.357 nan 8.240 nan 0.000 0.419 635 R N 0.821 121.373 120.500 0.087 0.000 2.080 635 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 635 R C 2.521 178.854 176.300 0.055 0.000 1.137 635 R CA 1.474 57.616 56.100 0.069 0.000 0.943 635 R CB -0.504 29.820 30.300 0.041 0.000 0.846 635 R HN 0.356 nan 8.270 nan 0.000 0.431 636 E N 0.528 120.755 120.200 0.045 0.000 2.072 636 E HA -0.110 4.240 4.350 -0.000 0.000 0.191 636 E C 1.438 178.068 176.600 0.050 0.000 0.985 636 E CA 1.381 57.807 56.400 0.044 0.000 0.801 636 E CB 0.247 29.974 29.700 0.044 0.000 0.750 636 E HN 0.023 nan 8.360 nan 0.000 0.452 637 K N -1.303 119.128 120.400 0.051 0.000 2.380 637 K HA 0.333 4.653 4.320 -0.000 0.000 0.198 637 K C 0.182 176.812 176.600 0.048 0.000 1.070 637 K CA 0.691 57.008 56.287 0.049 0.000 1.040 637 K CB 1.398 33.926 32.500 0.048 0.000 0.903 637 K HN 0.161 nan 8.250 nan 0.000 0.549 638 G N 2.316 111.147 108.800 0.052 0.000 2.640 638 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 638 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 638 G C -2.343 172.586 174.900 0.048 0.000 1.229 638 G CA -0.514 44.614 45.100 0.048 0.000 0.796 638 G HN -0.203 nan 8.290 nan 0.000 0.654 639 P HA -0.198 nan 4.420 nan 0.000 0.216 639 P C 1.457 178.779 177.300 0.036 0.000 1.150 639 P CA 1.520 64.638 63.100 0.029 0.000 0.843 639 P CB 0.148 31.850 31.700 0.003 0.000 0.787 640 Q N -0.013 119.805 119.800 0.031 0.000 2.002 640 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 640 Q C 2.499 178.530 176.000 0.051 0.000 0.988 640 Q CA 1.225 57.047 55.803 0.032 0.000 0.843 640 Q CB -1.581 27.172 28.738 0.025 0.000 0.908 640 Q HN 0.183 nan 8.270 nan 0.000 0.420 641 V N 0.679 120.625 119.914 0.054 0.000 2.255 641 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 641 V C 2.588 178.733 176.094 0.086 0.000 1.051 641 V CA 1.841 64.178 62.300 0.062 0.000 1.018 641 V CB -0.886 30.969 31.823 0.053 0.000 0.641 641 V HN 0.518 nan 8.190 nan 0.000 0.445 642 C N 0.335 119.694 119.300 0.100 0.000 2.411 642 C HA -0.100 4.360 4.460 -0.000 0.000 0.279 642 C C 3.030 178.180 174.990 0.266 0.000 1.288 642 C CA 0.705 59.813 59.018 0.151 0.000 1.764 642 C CB -1.354 26.482 27.740 0.159 0.000 1.974 642 C HN 0.592 nan 8.230 nan 0.000 0.498 643 A N 0.145 123.076 122.820 0.185 0.000 1.877 643 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 643 A C 2.265 179.975 177.584 0.210 0.000 1.186 643 A CA 1.988 54.124 52.037 0.166 0.000 0.620 643 A CB -0.748 18.282 19.000 0.050 0.000 0.822 643 A HN 0.725 nan 8.150 nan 0.000 0.443 644 K N -0.728 119.759 120.400 0.145 0.000 2.442 644 K HA -0.030 4.290 4.320 -0.000 0.000 0.198 644 K C 1.672 178.356 176.600 0.141 0.000 1.042 644 K CA 0.805 57.168 56.287 0.127 0.000 0.958 644 K CB -0.216 32.335 32.500 0.086 0.000 0.766 644 K HN 0.360 nan 8.250 nan 0.000 0.474 645 L N 0.247 121.561 121.223 0.151 0.000 2.093 645 L HA -0.032 4.308 4.340 -0.000 0.000 0.208 645 L C 1.460 178.351 176.870 0.036 0.000 1.085 645 L CA 1.608 56.485 54.840 0.061 0.000 0.755 645 L CB -0.407 41.644 42.059 -0.014 0.000 0.904 645 L HN 0.085 nan 8.230 nan 0.000 0.435 646 F N 0.165 120.128 119.950 0.022 0.000 2.134 646 F HA -0.042 4.485 4.527 -0.000 0.000 0.299 646 F C 2.499 178.314 175.800 0.025 0.000 1.097 646 F CA 1.419 59.432 58.000 0.021 0.000 1.264 646 F CB -1.474 37.542 39.000 0.027 0.000 1.001 646 F HN 0.183 nan 8.300 nan 0.000 0.479 647 G N 0.319 109.266 108.800 0.246 0.000 2.553 647 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.218 647 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.218 647 G C 1.670 176.633 174.900 0.106 0.000 1.195 647 G CA 1.408 46.599 45.100 0.152 0.000 0.779 647 G HN 0.278 nan 8.290 nan 0.000 0.577 648 N N 0.788 119.540 118.700 0.087 0.000 2.092 648 N HA -0.021 4.719 4.740 -0.000 0.000 0.189 648 N C 2.339 177.867 175.510 0.030 0.000 1.040 648 N CA 0.921 54.011 53.050 0.066 0.000 0.845 648 N CB -0.532 37.994 38.487 0.064 0.000 1.017 648 N HN 0.346 nan 8.380 nan 0.000 0.426 649 I N 1.616 122.186 120.570 0.000 0.000 2.229 649 I HA -0.359 3.811 4.170 -0.000 0.000 0.250 649 I C 2.471 178.573 176.117 -0.025 0.000 1.096 649 I CA 1.429 62.707 61.300 -0.037 0.000 1.358 649 I CB -0.254 37.691 38.000 -0.091 0.000 1.047 649 I HN 0.238 nan 8.210 nan 0.000 0.422 650 Q N 0.571 120.373 119.800 0.003 0.000 1.969 650 Q HA -0.202 4.138 4.340 -0.000 0.000 0.198 650 Q C 2.288 178.261 176.000 -0.046 0.000 0.978 650 Q CA 1.453 57.256 55.803 0.001 0.000 0.830 650 Q CB -0.060 28.705 28.738 0.045 0.000 0.896 650 Q HN 0.358 nan 8.270 nan 0.000 0.431 651 K N -0.214 120.157 120.400 -0.049 0.000 2.144 651 K HA -0.215 4.104 4.320 -0.000 0.000 0.209 651 K C 1.992 178.461 176.600 -0.219 0.000 1.047 651 K CA 1.674 57.859 56.287 -0.170 0.000 0.927 651 K CB -0.165 32.341 32.500 0.009 0.000 0.716 651 K HN 0.062 nan 8.250 nan 0.000 0.454 652 V N 0.197 120.075 119.914 -0.060 0.000 2.239 652 V HA -0.208 3.912 4.120 -0.000 0.000 0.242 652 V C 2.218 178.343 176.094 0.053 0.000 1.038 652 V CA 1.478 63.782 62.300 0.007 0.000 1.002 652 V CB -0.456 31.376 31.823 0.015 0.000 0.641 652 V HN 0.064 nan 8.190 nan 0.000 0.449 653 V N 0.879 120.800 119.914 0.011 0.000 2.252 653 V HA -0.305 3.815 4.120 -0.000 0.000 0.249 653 V C 2.452 178.584 176.094 0.065 0.000 1.056 653 V CA 2.402 64.724 62.300 0.037 0.000 1.022 653 V CB -0.950 30.859 31.823 -0.023 0.000 0.641 653 V HN 0.571 nan 8.190 nan 0.000 0.445 654 N N -0.520 118.168 118.700 -0.020 0.000 2.094 654 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 654 N C 1.711 177.151 175.510 -0.116 0.000 1.023 654 N CA 1.976 54.985 53.050 -0.068 0.000 0.857 654 N CB -0.492 37.925 38.487 -0.115 0.000 1.013 654 N HN 0.547 nan 8.380 nan 0.000 0.426 655 F N 0.268 120.012 119.950 -0.344 0.000 2.075 655 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 655 F C 2.385 177.985 175.800 -0.332 0.000 1.113 655 F CA 1.307 59.025 58.000 -0.470 0.000 1.218 655 F CB -0.911 37.713 39.000 -0.627 0.000 0.984 655 F HN 0.118 nan 8.300 nan 0.000 0.472 656 W N 0.863 121.924 121.300 -0.397 0.000 2.317 656 W HA -0.280 4.380 4.660 -0.000 0.000 0.318 656 W C 2.260 178.584 176.519 -0.324 0.000 1.227 656 W CA 2.365 59.486 57.345 -0.373 0.000 1.269 656 W CB -0.851 28.526 29.460 -0.139 0.000 1.155 656 W HN 0.176 nan 8.180 nan 0.000 0.484 657 L N 0.725 121.943 121.223 -0.009 0.000 2.079 657 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 657 L C 2.456 179.146 176.870 -0.301 0.000 1.081 657 L CA 2.139 56.898 54.840 -0.135 0.000 0.752 657 L CB -1.372 40.722 42.059 0.059 0.000 0.896 657 L HN 0.247 nan 8.230 nan 0.000 0.433 658 L N -1.183 119.826 121.223 -0.355 0.000 2.081 658 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 658 L C 2.309 179.032 176.870 -0.245 0.000 1.080 658 L CA 1.964 56.611 54.840 -0.322 0.000 0.754 658 L CB -0.809 40.988 42.059 -0.437 0.000 0.893 658 L HN 0.395 nan 8.230 nan 0.000 0.433 659 H N -1.612 117.161 119.070 -0.494 0.000 2.431 659 H HA 0.075 4.631 4.556 -0.000 0.000 0.295 659 H C 2.054 177.097 175.328 -0.474 0.000 1.038 659 H CA 1.193 56.962 56.048 -0.466 0.000 1.360 659 H CB -0.422 29.007 29.762 -0.555 0.000 1.433 659 H HN 0.441 nan 8.280 nan 0.000 0.536 660 N N 0.665 119.008 118.700 -0.594 0.000 2.331 660 N HA -0.023 4.717 4.740 -0.000 0.000 0.180 660 N C 0.526 175.862 175.510 -0.290 0.000 1.019 660 N CA 0.966 53.649 53.050 -0.612 0.000 0.881 660 N CB 0.342 38.044 38.487 -1.309 0.000 0.972 660 N HN 0.452 nan 8.380 nan 0.000 0.435 661 G N -0.897 107.774 108.800 -0.214 0.000 2.880 661 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.617 661 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.617 661 G C -0.797 174.160 174.900 0.095 0.000 1.493 661 G CA -0.013 45.053 45.100 -0.057 0.000 0.916 661 G HN 0.468 nan 8.290 nan 0.000 0.553 662 F N 0.270 120.185 119.950 -0.058 0.000 2.708 662 F HA 0.675 5.202 4.527 -0.000 0.000 0.309 662 F C -0.067 175.724 175.800 -0.014 0.000 1.120 662 F CA 0.493 58.480 58.000 -0.021 0.000 0.978 662 F CB 1.458 40.460 39.000 0.003 0.000 1.283 662 F HN 1.460 nan 8.300 nan 0.000 0.439 663 S N 2.132 117.231 115.700 -1.002 0.000 3.003 663 S HA 0.845 5.315 4.470 -0.000 0.000 0.313 663 S C -1.439 172.773 174.600 -0.647 0.000 1.230 663 S CA 0.203 58.051 58.200 -0.586 0.000 0.977 663 S CB 1.479 64.508 63.200 -0.284 0.000 1.340 663 S HN 1.273 nan 8.310 nan 0.000 0.608 664 T N -0.558 113.813 114.554 -0.305 0.000 3.168 664 T HA 0.576 4.926 4.350 -0.000 0.000 0.373 664 T C -0.800 173.836 174.700 -0.106 0.000 1.681 664 T CA 0.259 62.242 62.100 -0.195 0.000 1.135 664 T CB 0.530 69.324 68.868 -0.123 0.000 1.477 664 T HN 1.489 nan 8.240 nan 0.000 0.480 665 G N 2.113 110.867 108.800 -0.076 0.000 2.649 665 G HA2 0.538 4.497 3.960 -0.000 0.000 0.290 665 G HA3 0.538 4.497 3.960 -0.000 0.000 0.290 665 G C 0.777 175.660 174.900 -0.030 0.000 1.426 665 G CA -0.245 44.825 45.100 -0.049 0.000 0.794 665 G HN 0.897 nan 8.290 nan 0.000 0.483 666 I N 0.084 120.643 120.570 -0.019 0.000 2.229 666 I HA -0.098 4.072 4.170 -0.000 0.000 0.250 666 I C 2.683 178.797 176.117 -0.004 0.000 1.096 666 I CA 1.966 63.262 61.300 -0.007 0.000 1.358 666 I CB -1.231 36.767 38.000 -0.003 0.000 1.047 666 I HN 0.574 nan 8.210 nan 0.000 0.422 667 G N 0.548 109.341 108.800 -0.012 0.000 2.507 667 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 667 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 667 G C 1.349 176.246 174.900 -0.004 0.000 1.119 667 G CA 1.294 46.389 45.100 -0.009 0.000 0.751 667 G HN 0.502 nan 8.290 nan 0.000 0.574 668 D N -0.239 120.155 120.400 -0.009 0.000 2.363 668 D HA -0.030 4.610 4.640 -0.000 0.000 0.220 668 D C 2.398 178.707 176.300 0.015 0.000 0.994 668 D CA 1.396 55.396 54.000 0.000 0.000 0.890 668 D CB 0.123 40.917 40.800 -0.009 0.000 0.906 668 D HN 0.529 nan 8.370 nan 0.000 0.530 669 T N -1.450 113.113 114.554 0.016 0.000 3.023 669 T HA 0.124 4.474 4.350 -0.000 0.000 0.253 669 T C 1.106 175.822 174.700 0.027 0.000 1.038 669 T CA -0.390 61.725 62.100 0.025 0.000 0.962 669 T CB 0.298 69.184 68.868 0.031 0.000 1.018 669 T HN -0.027 nan 8.240 nan 0.000 0.521 670 I N 1.404 121.988 120.570 0.022 0.000 2.342 670 I HA 0.740 4.910 4.170 -0.000 0.000 0.291 670 I C 0.251 176.383 176.117 0.024 0.000 1.010 670 I CA -1.589 59.724 61.300 0.023 0.000 1.308 670 I CB 0.067 38.078 38.000 0.019 0.000 1.400 670 I HN 0.053 nan 8.210 nan 0.000 0.488 671 A N 4.574 127.410 122.820 0.026 0.000 2.340 671 A HA 0.237 4.557 4.320 -0.000 0.000 0.268 671 A C 0.107 177.707 177.584 0.026 0.000 1.100 671 A CA -0.422 51.632 52.037 0.028 0.000 0.803 671 A CB 0.234 19.252 19.000 0.031 0.000 1.043 671 A HN 0.845 nan 8.150 nan 0.000 0.488 672 D N 1.649 122.065 120.400 0.027 0.000 2.548 672 D HA 0.198 4.838 4.640 -0.000 0.000 0.231 672 D C 1.593 177.907 176.300 0.024 0.000 1.142 672 D CA 1.375 55.389 54.000 0.024 0.000 0.866 672 D CB 0.659 41.474 40.800 0.025 0.000 1.190 672 D HN 0.551 nan 8.370 nan 0.000 0.469 673 G N 3.965 112.777 108.800 0.021 0.000 2.719 673 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 673 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 673 G C -0.633 174.280 174.900 0.022 0.000 1.234 673 G CA 1.192 46.304 45.100 0.020 0.000 0.788 673 G HN 0.689 nan 8.290 nan 0.000 0.619 674 P HA -0.042 nan 4.420 nan 0.000 0.216 674 P C 1.711 179.026 177.300 0.025 0.000 1.153 674 P CA 1.882 64.995 63.100 0.022 0.000 0.844 674 P CB -0.446 31.266 31.700 0.020 0.000 0.787 675 T N -0.477 114.093 114.554 0.027 0.000 2.969 675 T HA -0.095 4.255 4.350 -0.000 0.000 0.271 675 T C 1.806 176.525 174.700 0.032 0.000 1.127 675 T CA 1.043 63.162 62.100 0.031 0.000 1.102 675 T CB -0.371 68.517 68.868 0.033 0.000 0.855 675 T HN 0.005 nan 8.240 nan 0.000 0.536 676 M N 0.346 119.963 119.600 0.029 0.000 2.240 676 M HA 0.138 4.618 4.480 -0.000 0.000 0.257 676 M C 2.461 178.779 176.300 0.031 0.000 1.107 676 M CA 0.967 56.285 55.300 0.030 0.000 1.169 676 M CB -0.846 31.770 32.600 0.027 0.000 1.307 676 M HN 0.050 nan 8.290 nan 0.000 0.447 677 R N 1.134 121.651 120.500 0.028 0.000 2.119 677 R HA -0.235 4.105 4.340 -0.000 0.000 0.246 677 R C 1.789 178.106 176.300 0.029 0.000 1.146 677 R CA 2.245 58.362 56.100 0.027 0.000 0.962 677 R CB -0.688 29.626 30.300 0.024 0.000 0.863 677 R HN 0.549 nan 8.270 nan 0.000 0.442 678 E N -0.029 120.188 120.200 0.028 0.000 2.118 678 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 678 E C 2.188 178.808 176.600 0.035 0.000 0.992 678 E CA 1.547 57.965 56.400 0.029 0.000 0.804 678 E CB -0.132 29.586 29.700 0.029 0.000 0.741 678 E HN 0.472 nan 8.360 nan 0.000 0.458 679 I N 0.843 121.436 120.570 0.039 0.000 2.133 679 I HA -0.272 3.898 4.170 -0.000 0.000 0.238 679 I C 2.508 178.655 176.117 0.050 0.000 1.074 679 I CA 1.666 62.994 61.300 0.046 0.000 1.342 679 I CB -0.712 37.315 38.000 0.045 0.000 1.053 679 I HN 0.224 nan 8.210 nan 0.000 0.404 680 T N 0.703 115.285 114.554 0.047 0.000 2.680 680 T HA -0.281 4.069 4.350 -0.000 0.000 0.268 680 T C 1.547 176.275 174.700 0.048 0.000 1.033 680 T CA 2.012 64.143 62.100 0.051 0.000 1.152 680 T CB -0.828 68.067 68.868 0.044 0.000 0.859 680 T HN 0.623 nan 8.240 nan 0.000 0.452 681 E N 1.028 121.250 120.200 0.036 0.000 2.152 681 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 681 E C 2.052 178.666 176.600 0.023 0.000 0.983 681 E CA 1.295 57.710 56.400 0.026 0.000 0.818 681 E CB -0.922 28.790 29.700 0.020 0.000 0.758 681 E HN 0.392 nan 8.360 nan 0.000 0.467 682 T N 1.436 116.009 114.554 0.031 0.000 2.881 682 T HA -0.053 4.296 4.350 -0.000 0.000 0.270 682 T C 1.837 176.557 174.700 0.033 0.000 1.068 682 T CA 0.998 63.116 62.100 0.030 0.000 1.131 682 T CB -0.120 68.774 68.868 0.044 0.000 0.871 682 T HN 0.188 nan 8.240 nan 0.000 0.479 683 I N 0.828 121.431 120.570 0.055 0.000 2.339 683 I HA -0.001 4.169 4.170 -0.000 0.000 0.245 683 I C 2.916 179.048 176.117 0.025 0.000 1.096 683 I CA 0.689 62.033 61.300 0.074 0.000 1.408 683 I CB -0.503 37.586 38.000 0.148 0.000 1.092 683 I HN 0.146 nan 8.210 nan 0.000 0.423 684 A N 1.874 124.713 122.820 0.032 0.000 1.873 684 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 684 A C 2.158 179.733 177.584 -0.015 0.000 1.193 684 A CA 2.526 54.572 52.037 0.016 0.000 0.629 684 A CB -0.968 18.045 19.000 0.022 0.000 0.826 684 A HN 0.632 nan 8.150 nan 0.000 0.447 685 E N 0.151 120.338 120.200 -0.022 0.000 2.085 685 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 685 E C 1.828 178.374 176.600 -0.090 0.000 0.994 685 E CA 1.555 57.926 56.400 -0.048 0.000 0.801 685 E CB -0.578 29.096 29.700 -0.043 0.000 0.743 685 E HN 0.488 nan 8.360 nan 0.000 0.453 686 A N 0.931 123.696 122.820 -0.091 0.000 2.067 686 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 686 A C 2.073 179.575 177.584 -0.138 0.000 1.158 686 A CA 1.242 53.195 52.037 -0.140 0.000 0.661 686 A CB -0.338 18.602 19.000 -0.101 0.000 0.801 686 A HN 0.146 nan 8.150 nan 0.000 0.452 687 K N -0.364 119.976 120.400 -0.100 0.000 2.057 687 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 687 K C 2.154 178.726 176.600 -0.046 0.000 1.050 687 K CA 1.566 57.806 56.287 -0.078 0.000 0.935 687 K CB -0.095 32.383 32.500 -0.036 0.000 0.715 687 K HN 0.498 nan 8.250 nan 0.000 0.439 688 K N 1.534 121.904 120.400 -0.051 0.000 2.062 688 K HA -0.143 4.177 4.320 -0.000 0.000 0.205 688 K C 2.012 178.573 176.600 -0.064 0.000 1.051 688 K CA 1.238 57.502 56.287 -0.038 0.000 0.941 688 K CB 0.045 32.523 32.500 -0.036 0.000 0.719 688 K HN -0.111 nan 8.250 nan 0.000 0.440 689 K N 0.371 120.681 120.400 -0.150 0.000 2.293 689 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 689 K C 1.710 178.199 176.600 -0.184 0.000 1.045 689 K CA 1.309 57.422 56.287 -0.289 0.000 0.933 689 K CB 0.033 32.188 32.500 -0.574 0.000 0.736 689 K HN 0.097 nan 8.250 nan 0.000 0.463 690 V N 0.603 120.512 119.914 -0.010 0.000 2.685 690 V HA -0.101 4.019 4.120 -0.000 0.000 0.244 690 V C 1.915 178.114 176.094 0.174 0.000 1.054 690 V CA 0.941 63.367 62.300 0.211 0.000 1.076 690 V CB -0.010 31.912 31.823 0.165 0.000 0.725 690 V HN 0.434 nan 8.190 nan 0.000 0.467 691 L N 0.549 121.826 121.223 0.090 0.000 2.012 691 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 691 L C 2.080 178.999 176.870 0.082 0.000 1.073 691 L CA 2.571 57.460 54.840 0.082 0.000 0.748 691 L CB -1.065 41.018 42.059 0.041 0.000 0.891 691 L HN 0.333 nan 8.230 nan 0.000 0.431 692 D N -0.095 120.344 120.400 0.064 0.000 2.095 692 D HA -0.183 4.456 4.640 -0.000 0.000 0.192 692 D C 2.297 178.657 176.300 0.100 0.000 0.990 692 D CA 2.093 56.127 54.000 0.056 0.000 0.836 692 D CB -0.613 40.204 40.800 0.030 0.000 0.979 692 D HN 0.304 nan 8.370 nan 0.000 0.447 693 V N 1.406 121.424 119.914 0.173 0.000 2.511 693 V HA -0.290 3.830 4.120 -0.000 0.000 0.257 693 V C 2.429 178.675 176.094 0.253 0.000 1.088 693 V CA 2.059 64.517 62.300 0.263 0.000 1.098 693 V CB -0.911 31.174 31.823 0.435 0.000 0.674 693 V HN 0.249 nan 8.190 nan 0.000 0.470 694 T N -0.862 113.825 114.554 0.222 0.000 2.770 694 T HA -0.129 4.221 4.350 -0.000 0.000 0.258 694 T C 1.952 176.596 174.700 -0.093 0.000 1.039 694 T CA 1.291 63.424 62.100 0.055 0.000 1.143 694 T CB -0.154 68.792 68.868 0.130 0.000 0.866 694 T HN 0.452 nan 8.240 nan 0.000 0.428 695 K N 0.982 121.368 120.400 -0.024 0.000 2.057 695 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 695 K C 2.361 178.929 176.600 -0.054 0.000 1.049 695 K CA 1.143 57.403 56.287 -0.045 0.000 0.931 695 K CB -0.112 32.380 32.500 -0.014 0.000 0.714 695 K HN 0.415 nan 8.250 nan 0.000 0.440 696 E N 0.319 120.505 120.200 -0.022 0.000 2.331 696 E HA -0.173 4.177 4.350 -0.000 0.000 0.199 696 E C 1.245 177.813 176.600 -0.054 0.000 1.008 696 E CA 0.877 57.267 56.400 -0.016 0.000 0.843 696 E CB 0.094 29.809 29.700 0.026 0.000 0.761 696 E HN 0.333 nan 8.360 nan 0.000 0.507 697 A N -0.087 122.658 122.820 -0.125 0.000 2.252 697 A HA 0.087 4.407 4.320 -0.000 0.000 0.213 697 A C 1.655 179.097 177.584 -0.237 0.000 1.188 697 A CA -0.108 51.798 52.037 -0.217 0.000 0.863 697 A CB 0.244 18.975 19.000 -0.448 0.000 0.893 697 A HN 0.203 nan 8.150 nan 0.000 0.495 698 Q N -0.841 118.842 119.800 -0.194 0.000 2.408 698 Q HA 0.243 4.583 4.340 -0.000 0.000 0.205 698 Q C 1.516 177.454 176.000 -0.104 0.000 0.919 698 Q CA 0.600 56.303 55.803 -0.167 0.000 0.932 698 Q CB 0.187 28.835 28.738 -0.150 0.000 1.058 698 Q HN 0.582 nan 8.270 nan 0.000 0.517 699 A N 0.882 123.653 122.820 -0.083 0.000 2.348 699 A HA 0.065 4.385 4.320 -0.000 0.000 0.224 699 A C 0.573 178.128 177.584 -0.049 0.000 1.227 699 A CA -0.078 51.927 52.037 -0.054 0.000 0.885 699 A CB 0.166 19.143 19.000 -0.038 0.000 0.933 699 A HN 0.345 nan 8.150 nan 0.000 0.506 700 N N -0.882 117.779 118.700 -0.064 0.000 2.776 700 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 700 N C -0.004 175.486 175.510 -0.033 0.000 1.112 700 N CA 1.011 54.030 53.050 -0.051 0.000 0.733 700 N CB -1.869 36.594 38.487 -0.040 0.000 1.097 700 N HN 0.512 nan 8.380 nan 0.000 0.558 701 L N -0.301 120.904 121.223 -0.031 0.000 2.912 701 L HA 0.325 4.665 4.340 -0.000 0.000 0.240 701 L C 0.447 177.316 176.870 -0.002 0.000 1.262 701 L CA -0.042 54.790 54.840 -0.013 0.000 1.058 701 L CB -0.095 41.959 42.059 -0.009 0.000 1.383 701 L HN 0.041 nan 8.230 nan 0.000 0.512 702 L N -0.140 121.079 121.223 -0.006 0.000 2.325 702 L HA 0.425 4.765 4.340 -0.000 0.000 0.278 702 L C 0.136 177.017 176.870 0.018 0.000 1.023 702 L CA -0.342 54.505 54.840 0.013 0.000 0.811 702 L CB 2.108 44.174 42.059 0.012 0.000 1.249 702 L HN -0.040 nan 8.230 nan 0.000 0.431 703 T N 2.353 116.925 114.554 0.030 0.000 2.875 703 T HA 0.310 4.660 4.350 -0.000 0.000 0.307 703 T C 0.487 175.210 174.700 0.038 0.000 1.013 703 T CA -0.460 61.658 62.100 0.031 0.000 0.970 703 T CB 0.639 69.527 68.868 0.035 0.000 0.986 703 T HN 0.648 nan 8.240 nan 0.000 0.536 704 A N 4.895 127.734 122.820 0.032 0.000 2.524 704 A HA 0.082 4.402 4.320 -0.000 0.000 0.271 704 A C 0.678 178.290 177.584 0.046 0.000 1.097 704 A CA 0.114 52.172 52.037 0.034 0.000 0.791 704 A CB -0.249 18.765 19.000 0.023 0.000 1.028 704 A HN 0.743 nan 8.150 nan 0.000 0.518 705 K N 2.639 123.068 120.400 0.049 0.000 2.451 705 K HA 0.006 4.326 4.320 -0.000 0.000 0.280 705 K C 0.221 176.870 176.600 0.081 0.000 1.020 705 K CA -0.137 56.191 56.287 0.067 0.000 1.008 705 K CB 0.259 32.791 32.500 0.054 0.000 0.917 705 K HN 0.829 nan 8.250 nan 0.000 0.478 706 H N 1.147 120.225 119.070 0.013 0.000 3.209 706 H HA -0.120 4.436 4.556 -0.000 0.000 0.297 706 H C 1.344 176.678 175.328 0.010 0.000 0.936 706 H CA 2.100 58.154 56.048 0.009 0.000 1.392 706 H CB -0.000 29.767 29.762 0.009 0.000 1.349 706 H HN 0.857 nan 8.280 nan 0.000 0.568 707 G N 3.513 112.021 108.800 -0.488 0.000 2.184 707 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 707 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 707 G C 0.106 174.924 174.900 -0.137 0.000 0.975 707 G CA 0.474 45.375 45.100 -0.333 0.000 0.642 707 G HN 0.651 nan 8.290 nan 0.000 0.536 708 M N 0.491 120.041 119.600 -0.082 0.000 2.530 708 M HA 0.436 4.916 4.480 -0.000 0.000 0.307 708 M C 0.418 176.708 176.300 -0.017 0.000 1.161 708 M CA -0.685 54.594 55.300 -0.035 0.000 0.903 708 M CB 2.094 34.687 32.600 -0.013 0.000 1.711 708 M HN 0.042 nan 8.290 nan 0.000 0.451 709 T N 1.210 115.761 114.554 -0.005 0.000 2.726 709 T HA 0.178 4.528 4.350 -0.000 0.000 0.294 709 T C 1.338 176.053 174.700 0.025 0.000 1.013 709 T CA -0.419 61.685 62.100 0.008 0.000 0.996 709 T CB 0.487 69.364 68.868 0.015 0.000 1.016 709 T HN 0.428 nan 8.240 nan 0.000 0.529 710 L N 0.445 121.683 121.223 0.025 0.000 2.072 710 L HA 0.065 4.405 4.340 -0.000 0.000 0.205 710 L C 2.655 179.575 176.870 0.083 0.000 1.079 710 L CA 1.555 56.415 54.840 0.034 0.000 0.752 710 L CB -0.916 41.142 42.059 -0.003 0.000 0.906 710 L HN 0.488 nan 8.230 nan 0.000 0.436 711 R N 0.059 120.607 120.500 0.081 0.000 2.062 711 R HA -0.121 4.219 4.340 -0.000 0.000 0.231 711 R C 2.228 178.625 176.300 0.163 0.000 1.136 711 R CA 1.395 57.592 56.100 0.161 0.000 0.948 711 R CB -0.497 29.876 30.300 0.121 0.000 0.845 711 R HN 0.479 nan 8.270 nan 0.000 0.430 712 E N 0.609 120.855 120.200 0.077 0.000 2.049 712 E HA -0.178 4.172 4.350 -0.000 0.000 0.198 712 E C 2.087 178.703 176.600 0.026 0.000 1.007 712 E CA 1.616 58.036 56.400 0.033 0.000 0.809 712 E CB -0.137 29.568 29.700 0.008 0.000 0.749 712 E HN 0.183 nan 8.360 nan 0.000 0.450 713 S N 0.433 116.160 115.700 0.045 0.000 2.442 713 S HA -0.124 4.346 4.470 -0.000 0.000 0.236 713 S C 1.425 176.067 174.600 0.068 0.000 1.007 713 S CA 0.621 58.843 58.200 0.037 0.000 0.965 713 S CB -0.240 62.988 63.200 0.046 0.000 0.773 713 S HN 0.260 nan 8.310 nan 0.000 0.504 714 F N 2.961 122.886 119.950 -0.041 0.000 2.039 714 F HA -0.040 4.487 4.527 -0.000 0.000 0.294 714 F C 2.236 177.994 175.800 -0.070 0.000 1.130 714 F CA 1.397 59.370 58.000 -0.045 0.000 1.189 714 F CB -0.757 38.228 39.000 -0.025 0.000 0.983 714 F HN 0.029 nan 8.300 nan 0.000 0.471 715 E N 0.534 120.497 120.200 -0.395 0.000 2.049 715 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 715 E C 2.081 178.445 176.600 -0.393 0.000 1.007 715 E CA 1.586 57.684 56.400 -0.503 0.000 0.809 715 E CB -1.085 28.478 29.700 -0.229 0.000 0.749 715 E HN 0.555 nan 8.360 nan 0.000 0.450 716 D N 1.149 121.403 120.400 -0.244 0.000 2.154 716 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 716 D C 1.443 177.543 176.300 -0.334 0.000 1.003 716 D CA 1.404 55.274 54.000 -0.216 0.000 0.849 716 D CB -0.175 40.547 40.800 -0.130 0.000 0.942 716 D HN 0.091 nan 8.370 nan 0.000 0.446 717 N N 0.126 118.584 118.700 -0.404 0.000 2.142 717 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 717 N C 2.193 177.000 175.510 -1.172 0.000 1.023 717 N CA 0.926 53.560 53.050 -0.692 0.000 0.852 717 N CB -0.546 37.666 38.487 -0.457 0.000 0.998 717 N HN 0.186 nan 8.380 nan 0.000 0.424 718 V N 1.622 121.050 119.914 -0.811 0.000 2.214 718 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 718 V C 2.601 178.425 176.094 -0.450 0.000 1.051 718 V CA 1.558 63.486 62.300 -0.621 0.000 1.003 718 V CB -0.898 30.532 31.823 -0.656 0.000 0.635 718 V HN 0.034 nan 8.190 nan 0.000 0.447 719 V N 0.157 119.858 119.914 -0.355 0.000 2.250 719 V HA -0.371 3.749 4.120 -0.000 0.000 0.253 719 V C 2.614 178.612 176.094 -0.160 0.000 1.065 719 V CA 2.697 64.875 62.300 -0.203 0.000 1.039 719 V CB -0.867 30.856 31.823 -0.168 0.000 0.647 719 V HN 0.547 nan 8.190 nan 0.000 0.446 720 R N -1.046 119.308 120.500 -0.243 0.000 2.249 720 R HA -0.154 4.186 4.340 -0.000 0.000 0.230 720 R C 2.154 178.474 176.300 0.032 0.000 1.121 720 R CA 1.525 57.547 56.100 -0.131 0.000 0.997 720 R CB -0.254 29.942 30.300 -0.173 0.000 0.867 720 R HN 0.597 nan 8.270 nan 0.000 0.465 721 F N -0.181 119.725 119.950 -0.074 0.000 2.147 721 F HA -0.121 4.406 4.527 -0.000 0.000 0.291 721 F C 1.910 177.649 175.800 -0.101 0.000 1.093 721 F CA 0.036 57.987 58.000 -0.082 0.000 1.263 721 F CB -0.087 38.849 39.000 -0.107 0.000 1.036 721 F HN -0.032 nan 8.300 nan 0.000 0.481 722 L N 0.285 121.532 121.223 0.041 0.000 2.046 722 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 722 L C 1.935 178.883 176.870 0.130 0.000 1.077 722 L CA 1.337 56.107 54.840 -0.117 0.000 0.747 722 L CB -1.134 40.736 42.059 -0.315 0.000 0.896 722 L HN 0.083 nan 8.230 nan 0.000 0.432 723 N N -0.073 118.702 118.700 0.125 0.000 2.062 723 N HA -0.218 4.522 4.740 -0.000 0.000 0.191 723 N C 1.863 177.453 175.510 0.132 0.000 1.042 723 N CA 1.418 54.551 53.050 0.138 0.000 0.845 723 N CB -0.405 38.133 38.487 0.086 0.000 1.024 723 N HN 0.478 nan 8.380 nan 0.000 0.424 724 E N 0.922 121.191 120.200 0.115 0.000 2.147 724 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 724 E C 1.720 178.386 176.600 0.110 0.000 1.005 724 E CA 1.437 57.904 56.400 0.113 0.000 0.810 724 E CB -0.033 29.746 29.700 0.132 0.000 0.736 724 E HN 0.342 nan 8.360 nan 0.000 0.460 725 A N 1.690 124.576 122.820 0.109 0.000 1.832 725 A HA -0.200 4.120 4.320 -0.000 0.000 0.214 725 A C 2.260 179.927 177.584 0.139 0.000 1.200 725 A CA 1.632 53.727 52.037 0.096 0.000 0.610 725 A CB -0.788 18.245 19.000 0.055 0.000 0.842 725 A HN 0.327 nan 8.150 nan 0.000 0.444 726 R N -0.060 120.558 120.500 0.196 0.000 2.136 726 R HA -0.280 4.060 4.340 -0.000 0.000 0.242 726 R C 1.652 178.037 176.300 0.142 0.000 1.131 726 R CA 2.568 58.775 56.100 0.179 0.000 0.937 726 R CB -0.815 29.592 30.300 0.178 0.000 0.863 726 R HN 0.488 nan 8.270 nan 0.000 0.435 727 D N -0.111 120.393 120.400 0.173 0.000 2.149 727 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 727 D C 1.842 178.305 176.300 0.271 0.000 1.001 727 D CA 1.841 56.003 54.000 0.269 0.000 0.849 727 D CB -0.117 40.821 40.800 0.229 0.000 0.939 727 D HN 0.344 nan 8.370 nan 0.000 0.449 728 K N 0.315 120.815 120.400 0.168 0.000 2.001 728 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 728 K C 2.057 178.738 176.600 0.134 0.000 1.048 728 K CA 1.278 57.644 56.287 0.132 0.000 0.932 728 K CB -0.200 32.352 32.500 0.087 0.000 0.715 728 K HN 0.062 nan 8.250 nan 0.000 0.437 729 A N 0.751 123.641 122.820 0.116 0.000 1.927 729 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 729 A C 2.287 179.927 177.584 0.093 0.000 1.185 729 A CA 2.260 54.352 52.037 0.091 0.000 0.639 729 A CB -1.506 17.543 19.000 0.082 0.000 0.820 729 A HN 0.597 nan 8.150 nan 0.000 0.451 730 G N -0.970 107.901 108.800 0.119 0.000 2.505 730 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 730 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 730 G C 1.615 176.691 174.900 0.292 0.000 1.237 730 G CA 0.779 45.944 45.100 0.108 0.000 0.802 730 G HN 0.526 nan 8.290 nan 0.000 0.549 731 R N -0.189 120.594 120.500 0.472 0.000 2.244 731 R HA -0.062 4.278 4.340 -0.000 0.000 0.252 731 R C 2.571 178.974 176.300 0.172 0.000 1.177 731 R CA 0.802 57.087 56.100 0.308 0.000 1.004 731 R CB -0.386 29.982 30.300 0.114 0.000 0.873 731 R HN 0.353 nan 8.270 nan 0.000 0.469 732 L N -0.613 120.694 121.223 0.140 0.000 1.988 732 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 732 L C 2.635 179.557 176.870 0.087 0.000 1.071 732 L CA 1.466 56.361 54.840 0.092 0.000 0.744 732 L CB -0.672 41.432 42.059 0.075 0.000 0.893 732 L HN 0.269 nan 8.230 nan 0.000 0.433 733 A N -0.203 122.669 122.820 0.087 0.000 1.902 733 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 733 A C 2.199 179.835 177.584 0.087 0.000 1.181 733 A CA 1.885 53.964 52.037 0.071 0.000 0.623 733 A CB -0.673 18.357 19.000 0.050 0.000 0.818 733 A HN 0.524 nan 8.150 nan 0.000 0.443 734 E N -0.233 120.046 120.200 0.132 0.000 2.130 734 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 734 E C 1.589 178.256 176.600 0.111 0.000 0.998 734 E CA 1.711 58.204 56.400 0.155 0.000 0.806 734 E CB -0.118 29.753 29.700 0.286 0.000 0.738 734 E HN 0.350 nan 8.360 nan 0.000 0.459 735 V N 1.636 121.607 119.914 0.095 0.000 2.878 735 V HA -0.119 4.001 4.120 -0.000 0.000 0.250 735 V C 2.184 178.311 176.094 0.055 0.000 1.075 735 V CA 1.404 63.744 62.300 0.066 0.000 1.096 735 V CB -0.428 31.428 31.823 0.054 0.000 0.724 735 V HN 0.411 nan 8.190 nan 0.000 0.467 736 N N 0.641 119.375 118.700 0.057 0.000 2.515 736 N HA -0.006 4.734 4.740 -0.000 0.000 0.185 736 N C 0.485 176.022 175.510 0.045 0.000 1.109 736 N CA 0.199 53.277 53.050 0.046 0.000 0.903 736 N CB 0.103 38.617 38.487 0.045 0.000 0.969 736 N HN 0.396 nan 8.380 nan 0.000 0.450 737 L N 3.443 124.697 121.223 0.052 0.000 2.278 737 L HA 0.164 4.504 4.340 -0.000 0.000 0.287 737 L C 0.792 177.691 176.870 0.048 0.000 1.072 737 L CA -0.702 54.168 54.840 0.050 0.000 0.819 737 L CB 0.970 43.064 42.059 0.058 0.000 1.176 737 L HN 0.058 nan 8.230 nan 0.000 0.435 738 K N 1.720 122.146 120.400 0.043 0.000 2.156 738 K HA 0.072 4.392 4.320 -0.000 0.000 0.242 738 K C -0.134 176.496 176.600 0.049 0.000 1.033 738 K CA -0.428 55.884 56.287 0.042 0.000 0.878 738 K CB 0.702 33.224 32.500 0.037 0.000 1.057 738 K HN 0.366 nan 8.250 nan 0.000 0.505 739 D N -0.016 120.413 120.400 0.049 0.000 2.363 739 D HA -0.039 4.601 4.640 -0.000 0.000 0.220 739 D C 1.359 177.700 176.300 0.068 0.000 0.994 739 D CA 0.436 54.470 54.000 0.056 0.000 0.890 739 D CB -0.203 40.626 40.800 0.049 0.000 0.906 739 D HN 0.461 nan 8.370 nan 0.000 0.530 740 L N -1.083 120.176 121.223 0.061 0.000 2.492 740 L HA 0.136 4.476 4.340 -0.000 0.000 0.223 740 L C 0.434 177.341 176.870 0.063 0.000 1.132 740 L CA 0.272 55.150 54.840 0.064 0.000 0.850 740 L CB -1.456 40.632 42.059 0.047 0.000 0.966 740 L HN -0.169 nan 8.230 nan 0.000 0.454 741 N N 1.166 119.901 118.700 0.059 0.000 2.411 741 N HA -0.074 4.666 4.740 -0.000 0.000 0.261 741 N C 0.831 176.391 175.510 0.083 0.000 1.248 741 N CA 0.046 53.128 53.050 0.053 0.000 0.885 741 N CB 0.386 38.905 38.487 0.054 0.000 1.062 741 N HN 0.276 nan 8.380 nan 0.000 0.471 742 N N 2.805 121.535 118.700 0.050 0.000 2.106 742 N HA -0.130 4.609 4.740 -0.000 0.000 0.188 742 N C 1.507 177.123 175.510 0.178 0.000 1.029 742 N CA 0.938 54.042 53.050 0.090 0.000 0.848 742 N CB -0.187 38.186 38.487 -0.190 0.000 1.007 742 N HN 0.328 nan 8.380 nan 0.000 0.423 743 V N 1.970 121.942 119.914 0.096 0.000 2.469 743 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 743 V C 2.481 178.642 176.094 0.111 0.000 1.064 743 V CA 1.459 63.820 62.300 0.102 0.000 1.066 743 V CB -0.427 31.434 31.823 0.064 0.000 0.667 743 V HN 0.320 nan 8.190 nan 0.000 0.461 744 K N -0.458 120.005 120.400 0.104 0.000 2.031 744 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 744 K C 2.316 178.979 176.600 0.106 0.000 1.049 744 K CA 1.360 57.705 56.287 0.097 0.000 0.939 744 K CB -0.110 32.441 32.500 0.085 0.000 0.717 744 K HN 0.464 nan 8.250 nan 0.000 0.438 745 Q N 0.004 119.887 119.800 0.140 0.000 2.152 745 Q HA -0.186 4.154 4.340 -0.000 0.000 0.206 745 Q C 2.086 178.143 176.000 0.094 0.000 0.985 745 Q CA 1.902 57.790 55.803 0.141 0.000 0.863 745 Q CB -0.006 28.887 28.738 0.258 0.000 0.904 745 Q HN 0.386 nan 8.270 nan 0.000 0.422 746 M N -0.863 118.821 119.600 0.139 0.000 2.156 746 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 746 M C 2.142 178.474 176.300 0.053 0.000 1.067 746 M CA 0.915 56.262 55.300 0.078 0.000 1.131 746 M CB 0.054 32.736 32.600 0.136 0.000 1.368 746 M HN 0.058 nan 8.290 nan 0.000 0.416 747 V N 0.485 120.442 119.914 0.072 0.000 2.490 747 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 747 V C 2.296 178.418 176.094 0.047 0.000 1.061 747 V CA 1.647 63.986 62.300 0.064 0.000 1.064 747 V CB -0.595 31.278 31.823 0.082 0.000 0.670 747 V HN 0.498 nan 8.190 nan 0.000 0.461 748 M N -0.138 119.488 119.600 0.043 0.000 2.077 748 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 748 M C 2.424 178.726 176.300 0.003 0.000 1.070 748 M CA 2.200 57.515 55.300 0.025 0.000 1.125 748 M CB -0.573 32.043 32.600 0.027 0.000 1.339 748 M HN 0.374 nan 8.290 nan 0.000 0.409 749 A N -0.274 122.538 122.820 -0.013 0.000 1.933 749 A HA 0.074 4.394 4.320 -0.000 0.000 0.218 749 A C 1.797 179.367 177.584 -0.023 0.000 1.175 749 A CA 1.632 53.647 52.037 -0.037 0.000 0.628 749 A CB -1.049 17.907 19.000 -0.073 0.000 0.814 749 A HN 0.733 nan 8.150 nan 0.000 0.444 750 G N -1.376 107.421 108.800 -0.006 0.000 2.130 750 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 750 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 750 G C 0.984 175.885 174.900 0.002 0.000 0.999 750 G CA 1.161 46.263 45.100 0.004 0.000 0.686 750 G HN 1.473 nan 8.290 nan 0.000 0.515 751 S N -1.548 114.148 115.700 -0.005 0.000 2.406 751 S HA 0.451 4.921 4.470 -0.000 0.000 0.224 751 S C 0.910 175.519 174.600 0.015 0.000 1.030 751 S CA 1.365 59.562 58.200 -0.004 0.000 0.958 751 S CB 0.609 63.791 63.200 -0.029 0.000 0.811 751 S HN 0.369 nan 8.310 nan 0.000 0.489 752 K N 0.044 120.461 120.400 0.028 0.000 2.587 752 K HA 0.542 4.862 4.320 -0.000 0.000 0.276 752 K C -0.116 176.513 176.600 0.049 0.000 0.956 752 K CA 0.354 56.664 56.287 0.039 0.000 0.857 752 K CB 1.318 33.847 32.500 0.047 0.000 1.431 752 K HN 0.583 nan 8.250 nan 0.000 0.420 753 G N 0.980 109.807 108.800 0.045 0.000 2.819 753 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.682 753 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.682 753 G C -0.469 174.467 174.900 0.062 0.000 1.481 753 G CA 0.092 45.223 45.100 0.051 0.000 0.904 753 G HN 1.210 nan 8.290 nan 0.000 0.563 754 S N -0.487 115.255 115.700 0.070 0.000 2.776 754 S HA 0.742 5.212 4.470 -0.000 0.000 0.292 754 S C 0.826 175.508 174.600 0.137 0.000 1.187 754 S CA 0.367 58.630 58.200 0.106 0.000 0.834 754 S CB 1.221 64.485 63.200 0.107 0.000 1.199 754 S HN 1.926 nan 8.310 nan 0.000 0.514 755 F N 1.553 121.522 119.950 0.031 0.000 2.015 755 F HA -0.108 4.419 4.527 -0.000 0.000 0.297 755 F C 2.058 177.879 175.800 0.035 0.000 1.141 755 F CA 1.957 59.976 58.000 0.031 0.000 1.192 755 F CB -0.652 38.364 39.000 0.026 0.000 0.957 755 F HN 0.503 nan 8.300 nan 0.000 0.491 756 I N 1.277 121.701 120.570 -0.242 0.000 2.227 756 I HA -0.433 3.737 4.170 -0.000 0.000 0.250 756 I C 2.162 178.133 176.117 -0.244 0.000 1.087 756 I CA 1.825 62.919 61.300 -0.343 0.000 1.352 756 I CB -1.453 36.507 38.000 -0.067 0.000 1.043 756 I HN 0.398 nan 8.210 nan 0.000 0.425 757 N N 0.811 119.449 118.700 -0.104 0.000 2.039 757 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 757 N C 1.965 177.446 175.510 -0.048 0.000 1.044 757 N CA 1.411 54.443 53.050 -0.030 0.000 0.847 757 N CB -0.344 38.152 38.487 0.016 0.000 1.030 757 N HN 0.384 nan 8.380 nan 0.000 0.422 758 I N 1.547 122.075 120.570 -0.069 0.000 2.264 758 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 758 I C 2.420 178.469 176.117 -0.114 0.000 1.111 758 I CA 0.878 62.148 61.300 -0.049 0.000 1.382 758 I CB -0.420 37.576 38.000 -0.006 0.000 1.060 758 I HN 0.067 nan 8.210 nan 0.000 0.418 759 A N 0.933 123.580 122.820 -0.287 0.000 1.829 759 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 759 A C 2.210 179.680 177.584 -0.191 0.000 1.207 759 A CA 1.686 53.523 52.037 -0.332 0.000 0.622 759 A CB -0.913 17.708 19.000 -0.631 0.000 0.846 759 A HN 0.479 nan 8.150 nan 0.000 0.447 760 Q N -0.961 118.730 119.800 -0.181 0.000 2.439 760 Q HA -0.045 4.294 4.340 -0.000 0.000 0.211 760 Q C 1.934 177.895 176.000 -0.065 0.000 0.978 760 Q CA 1.095 56.780 55.803 -0.197 0.000 0.897 760 Q CB -0.247 28.378 28.738 -0.189 0.000 0.956 760 Q HN 0.689 nan 8.270 nan 0.000 0.483 761 M N -1.125 118.514 119.600 0.064 0.000 2.447 761 M HA -0.008 4.472 4.480 -0.000 0.000 0.266 761 M C 1.450 177.796 176.300 0.076 0.000 1.120 761 M CA 0.998 56.396 55.300 0.163 0.000 1.166 761 M CB 0.545 33.220 32.600 0.125 0.000 1.349 761 M HN 0.050 nan 8.290 nan 0.000 0.463 762 S N -0.546 115.165 115.700 0.017 0.000 2.554 762 S HA 0.341 4.811 4.470 -0.000 0.000 0.227 762 S C 1.482 176.080 174.600 -0.004 0.000 1.050 762 S CA 0.218 58.427 58.200 0.014 0.000 0.927 762 S CB 0.537 63.748 63.200 0.018 0.000 0.859 762 S HN 0.385 nan 8.310 nan 0.000 0.494 763 A N 0.549 123.349 122.820 -0.033 0.000 2.265 763 A HA 0.591 4.911 4.320 -0.000 0.000 0.226 763 A C 0.732 178.285 177.584 -0.052 0.000 1.937 763 A CA 0.589 52.609 52.037 -0.029 0.000 0.771 763 A CB -0.379 18.605 19.000 -0.027 0.000 1.421 763 A HN 0.622 nan 8.150 nan 0.000 0.570 764 C N -1.015 118.225 119.300 -0.100 0.000 2.871 764 C HA 0.521 4.980 4.460 -0.000 0.000 0.378 764 C C 1.548 176.383 174.990 -0.259 0.000 1.052 764 C CA -0.300 58.627 59.018 -0.152 0.000 1.250 764 C CB 0.354 28.055 27.740 -0.066 0.000 1.689 764 C HN 0.538 nan 8.230 nan 0.000 0.506 765 V N 5.306 124.989 119.914 -0.384 0.000 2.231 765 V HA 0.236 4.356 4.120 -0.000 0.000 0.248 765 V C 1.804 177.652 176.094 -0.411 0.000 1.054 765 V CA 2.938 64.940 62.300 -0.495 0.000 1.015 765 V CB -1.173 30.271 31.823 -0.631 0.000 0.638 765 V HN 1.851 nan 8.190 nan 0.000 0.444 766 G N -1.087 107.407 108.800 -0.510 0.000 2.343 766 G HA2 0.056 4.016 3.960 -0.000 0.000 0.465 766 G HA3 0.056 4.016 3.960 -0.000 0.000 0.465 766 G C -0.928 173.696 174.900 -0.460 0.000 1.282 766 G CA -0.064 44.789 45.100 -0.412 0.000 0.996 766 G HN 0.520 nan 8.290 nan 0.000 0.521 767 Q N 0.149 119.888 119.800 -0.103 0.000 2.349 767 Q HA 0.629 4.969 4.340 -0.000 0.000 0.254 767 Q C 0.450 176.425 176.000 -0.041 0.000 0.980 767 Q CA -0.146 55.684 55.803 0.046 0.000 0.924 767 Q CB 0.973 29.873 28.738 0.270 0.000 1.209 767 Q HN 0.576 nan 8.270 nan 0.000 0.445 768 Q N 1.596 121.355 119.800 -0.068 0.000 2.524 768 Q HA 0.495 4.835 4.340 -0.000 0.000 0.246 768 Q C -0.879 175.091 176.000 -0.050 0.000 1.063 768 Q CA 0.286 56.049 55.803 -0.066 0.000 0.945 768 Q CB 1.184 29.913 28.738 -0.014 0.000 1.292 768 Q HN 0.751 nan 8.270 nan 0.000 0.518 769 S N -0.588 115.084 115.700 -0.046 0.000 2.567 769 S HA 0.751 5.220 4.470 -0.000 0.000 0.270 769 S C -1.924 172.649 174.600 -0.046 0.000 1.152 769 S CA -0.771 57.397 58.200 -0.054 0.000 0.835 769 S CB 0.985 64.157 63.200 -0.047 0.000 1.115 769 S HN 0.259 nan 8.310 nan 0.000 0.459 770 V N 2.839 122.720 119.914 -0.055 0.000 2.668 770 V HA 0.558 4.678 4.120 -0.000 0.000 0.304 770 V C -0.251 175.815 176.094 -0.046 0.000 1.071 770 V CA -0.642 61.631 62.300 -0.045 0.000 0.894 770 V CB 1.109 32.904 31.823 -0.046 0.000 1.008 770 V HN 1.129 nan 8.190 nan 0.000 0.425 771 E N 3.245 123.424 120.200 -0.035 0.000 2.539 771 E HA -0.322 4.028 4.350 -0.000 0.000 0.253 771 E C 1.244 177.822 176.600 -0.038 0.000 1.145 771 E CA 0.812 57.193 56.400 -0.032 0.000 0.738 771 E CB -1.322 28.359 29.700 -0.032 0.000 1.308 771 E HN 1.590 nan 8.360 nan 0.000 0.409 772 G N -0.296 108.481 108.800 -0.040 0.000 4.165 772 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.211 772 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.211 772 G C 0.240 175.103 174.900 -0.061 0.000 1.469 772 G CA 0.212 45.285 45.100 -0.044 0.000 0.964 772 G HN 0.209 nan 8.290 nan 0.000 0.613 773 K N 2.922 123.278 120.400 -0.073 0.000 2.440 773 K HA 0.419 4.739 4.320 -0.000 0.000 0.270 773 K C 1.350 177.883 176.600 -0.111 0.000 0.980 773 K CA 0.271 56.498 56.287 -0.100 0.000 0.953 773 K CB 0.284 32.716 32.500 -0.114 0.000 0.925 773 K HN 0.753 nan 8.250 nan 0.000 0.497 774 R N 1.523 121.942 120.500 -0.134 0.000 2.822 774 R HA 0.135 4.475 4.340 -0.000 0.000 0.277 774 R C 0.230 176.420 176.300 -0.183 0.000 1.102 774 R CA -0.795 55.220 56.100 -0.141 0.000 1.207 774 R CB -0.077 30.138 30.300 -0.141 0.000 1.139 774 R HN 0.361 nan 8.270 nan 0.000 0.557 775 I N 1.297 121.732 120.570 -0.226 0.000 2.906 775 I HA -0.122 4.048 4.170 -0.000 0.000 0.301 775 I C 1.201 177.186 176.117 -0.220 0.000 1.221 775 I CA 0.439 61.584 61.300 -0.257 0.000 1.435 775 I CB -0.777 36.908 38.000 -0.526 0.000 1.345 775 I HN 0.753 nan 8.210 nan 0.000 0.558 776 A N 7.689 130.424 122.820 -0.142 0.000 2.260 776 A HA 0.463 4.783 4.320 -0.000 0.000 0.278 776 A C -0.013 177.636 177.584 0.108 0.000 1.269 776 A CA -0.339 51.610 52.037 -0.146 0.000 0.824 776 A CB 0.237 19.179 19.000 -0.097 0.000 1.238 776 A HN 0.607 nan 8.150 nan 0.000 0.507 777 F N 0.326 120.256 119.950 -0.034 0.000 2.359 777 F HA 0.292 4.819 4.527 -0.000 0.000 0.355 777 F C 1.632 177.452 175.800 0.032 0.000 1.132 777 F CA -0.367 57.649 58.000 0.027 0.000 1.246 777 F CB 0.735 39.748 39.000 0.021 0.000 1.569 777 F HN 0.761 nan 8.300 nan 0.000 0.561 778 G N 2.466 111.371 108.800 0.176 0.000 2.422 778 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 778 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 778 G C 0.369 175.240 174.900 -0.049 0.000 1.140 778 G CA 0.202 45.294 45.100 -0.013 0.000 0.775 778 G HN 0.337 nan 8.290 nan 0.000 0.545 779 F N 0.094 120.108 119.950 0.107 0.000 2.379 779 F HA 0.374 4.901 4.527 -0.000 0.000 0.332 779 F C 0.596 176.415 175.800 0.032 0.000 1.096 779 F CA -1.152 56.880 58.000 0.053 0.000 1.105 779 F CB 1.814 40.830 39.000 0.028 0.000 1.189 779 F HN -0.289 nan 8.300 nan 0.000 0.515 780 V N 4.130 124.189 119.914 0.241 0.000 2.536 780 V HA -0.168 3.952 4.120 -0.000 0.000 0.287 780 V C 0.236 176.339 176.094 0.015 0.000 0.979 780 V CA 0.729 63.104 62.300 0.125 0.000 1.161 780 V CB -0.891 30.989 31.823 0.096 0.000 0.915 780 V HN 0.867 nan 8.190 nan 0.000 0.467 781 D N 3.361 123.746 120.400 -0.024 0.000 2.837 781 D HA -0.177 4.463 4.640 -0.000 0.000 0.230 781 D C 0.470 176.086 176.300 -1.140 0.000 1.152 781 D CA 1.448 55.236 54.000 -0.353 0.000 0.736 781 D CB -0.252 40.494 40.800 -0.090 0.000 1.084 781 D HN 0.950 nan 8.370 nan 0.000 0.429 782 R N -3.709 116.137 120.500 -1.090 0.000 2.728 782 R HA 0.433 4.773 4.340 -0.000 0.000 0.274 782 R C 0.645 176.969 176.300 0.041 0.000 1.032 782 R CA -0.790 54.870 56.100 -0.735 0.000 0.866 782 R CB 0.289 30.477 30.300 -0.187 0.000 1.263 782 R HN -0.217 nan 8.270 nan 0.000 0.475 783 T N 0.286 115.057 114.554 0.361 0.000 2.770 783 T HA 0.163 4.513 4.350 -0.000 0.000 0.258 783 T C 0.896 175.956 174.700 0.600 0.000 1.039 783 T CA 0.715 63.143 62.100 0.547 0.000 1.143 783 T CB -0.105 69.150 68.868 0.646 0.000 0.866 783 T HN 0.287 nan 8.240 nan 0.000 0.428 784 L N 0.435 121.936 121.223 0.463 0.000 2.257 784 L HA 0.409 4.749 4.340 -0.000 0.000 0.257 784 L C -2.083 174.672 176.870 -0.191 0.000 1.033 784 L CA -2.475 52.449 54.840 0.140 0.000 0.835 784 L CB 2.101 43.894 42.059 -0.444 0.000 1.398 784 L HN -0.177 nan 8.230 nan 0.000 0.429 785 P HA 0.097 nan 4.420 nan 0.000 0.249 785 P C 0.118 177.419 177.300 0.001 0.000 1.544 785 P CA 0.522 63.372 63.100 -0.416 0.000 0.932 785 P CB -0.160 31.151 31.700 -0.649 0.000 1.524 786 H N -1.707 117.145 119.070 -0.362 0.000 2.672 786 H HA 0.307 4.863 4.556 -0.000 0.000 0.277 786 H C 0.121 175.303 175.328 -0.244 0.000 1.074 786 H CA -0.283 55.558 56.048 -0.345 0.000 1.173 786 H CB 0.269 29.740 29.762 -0.484 0.000 1.558 786 H HN 0.157 nan 8.280 nan 0.000 0.539 787 F N 1.452 121.445 119.950 0.073 0.000 2.561 787 F HA 0.297 4.824 4.527 -0.000 0.000 0.321 787 F C 0.251 176.040 175.800 -0.018 0.000 1.065 787 F CA -1.477 56.548 58.000 0.041 0.000 0.934 787 F CB 1.971 41.004 39.000 0.056 0.000 1.215 787 F HN -0.078 nan 8.300 nan 0.000 0.471 788 S N 1.538 117.363 115.700 0.208 0.000 2.525 788 S HA 0.363 4.833 4.470 -0.000 0.000 0.278 788 S C -0.545 174.071 174.600 0.026 0.000 1.234 788 S CA -1.165 57.082 58.200 0.079 0.000 1.058 788 S CB 1.030 64.270 63.200 0.067 0.000 0.983 788 S HN 0.503 nan 8.310 nan 0.000 0.495 789 K N 1.454 121.844 120.400 -0.018 0.000 2.584 789 K HA -0.112 4.208 4.320 -0.000 0.000 0.277 789 K C -0.234 176.347 176.600 -0.033 0.000 0.960 789 K CA 0.981 57.225 56.287 -0.073 0.000 0.975 789 K CB -0.234 32.244 32.500 -0.037 0.000 0.885 789 K HN 0.798 nan 8.250 nan 0.000 0.515 790 D N 0.279 120.647 120.400 -0.053 0.000 2.751 790 D HA -0.176 4.464 4.640 -0.000 0.000 0.233 790 D C -0.622 175.891 176.300 0.355 0.000 1.149 790 D CA 1.060 55.199 54.000 0.232 0.000 0.682 790 D CB -0.605 40.319 40.800 0.207 0.000 1.068 790 D HN 0.438 nan 8.370 nan 0.000 0.429 791 D N -0.361 120.158 120.400 0.198 0.000 2.317 791 D HA 0.126 4.766 4.640 -0.000 0.000 0.234 791 D C -0.029 176.488 176.300 0.361 0.000 1.112 791 D CA -0.358 53.760 54.000 0.196 0.000 0.840 791 D CB 0.506 41.263 40.800 -0.070 0.000 1.078 791 D HN 0.122 nan 8.370 nan 0.000 0.486 792 Y N 1.290 121.682 120.300 0.153 0.000 2.467 792 Y HA 0.064 4.614 4.550 -0.000 0.000 0.250 792 Y C 1.483 177.453 175.900 0.116 0.000 1.155 792 Y CA -0.413 57.805 58.100 0.197 0.000 1.249 792 Y CB -0.186 38.447 38.460 0.288 0.000 1.146 792 Y HN 0.291 nan 8.280 nan 0.000 0.524 793 S N 1.849 117.661 115.700 0.188 0.000 2.563 793 S HA -0.014 4.456 4.470 -0.000 0.000 0.269 793 S C -1.327 173.308 174.600 0.060 0.000 1.364 793 S CA -0.816 57.445 58.200 0.102 0.000 1.010 793 S CB 0.875 64.100 63.200 0.043 0.000 0.877 793 S HN 0.085 nan 8.310 nan 0.000 0.549 794 P HA -0.086 nan 4.420 nan 0.000 0.216 794 P C 0.470 177.880 177.300 0.183 0.000 1.153 794 P CA 1.255 64.400 63.100 0.075 0.000 0.848 794 P CB -0.258 31.411 31.700 -0.051 0.000 0.787 795 E N -0.097 120.207 120.200 0.173 0.000 2.428 795 E HA -0.008 4.342 4.350 -0.000 0.000 0.199 795 E C 1.561 178.300 176.600 0.231 0.000 1.172 795 E CA 0.508 57.059 56.400 0.251 0.000 0.941 795 E CB -0.695 29.132 29.700 0.212 0.000 1.001 795 E HN 0.272 nan 8.360 nan 0.000 0.501 796 S N -0.930 114.830 115.700 0.099 0.000 2.761 796 S HA 0.071 4.541 4.470 -0.000 0.000 0.273 796 S C 1.222 175.855 174.600 0.054 0.000 1.073 796 S CA -0.403 57.749 58.200 -0.079 0.000 1.048 796 S CB 0.230 63.015 63.200 -0.692 0.000 0.955 796 S HN -0.034 nan 8.310 nan 0.000 0.500 797 K N 1.392 121.777 120.400 -0.025 0.000 2.426 797 K HA 0.353 4.673 4.320 -0.000 0.000 0.193 797 K C 1.074 177.515 176.600 -0.266 0.000 1.028 797 K CA 0.876 57.074 56.287 -0.149 0.000 1.047 797 K CB 0.445 32.877 32.500 -0.112 0.000 0.821 797 K HN 0.656 nan 8.250 nan 0.000 0.513 798 G N 1.682 110.401 108.800 -0.135 0.000 2.189 798 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.113 798 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.113 798 G C -0.718 174.285 174.900 0.172 0.000 1.038 798 G CA -0.683 44.382 45.100 -0.060 0.000 0.704 798 G HN 0.200 nan 8.290 nan 0.000 0.490 799 F N 1.961 121.969 119.950 0.098 0.000 2.391 799 F HA 0.621 5.148 4.527 -0.000 0.000 0.359 799 F C 0.337 176.197 175.800 0.100 0.000 1.122 799 F CA -0.976 57.061 58.000 0.063 0.000 1.120 799 F CB 1.532 40.560 39.000 0.046 0.000 1.142 799 F HN -0.007 nan 8.300 nan 0.000 0.483 800 V N 7.818 127.425 119.914 -0.512 0.000 2.356 800 V HA 0.047 4.167 4.120 -0.000 0.000 0.258 800 V C 1.090 176.786 176.094 -0.663 0.000 1.065 800 V CA 0.005 62.072 62.300 -0.388 0.000 0.935 800 V CB 0.730 32.369 31.823 -0.307 0.000 1.061 800 V HN 0.933 nan 8.190 nan 0.000 0.484 801 E N 4.460 124.462 120.200 -0.330 0.000 2.152 801 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 801 E C 0.967 177.503 176.600 -0.107 0.000 0.983 801 E CA 0.464 56.782 56.400 -0.137 0.000 0.818 801 E CB 0.269 30.076 29.700 0.178 0.000 0.758 801 E HN 0.728 nan 8.360 nan 0.000 0.467 802 N N 1.156 119.801 118.700 -0.092 0.000 2.482 802 N HA -0.001 4.739 4.740 -0.000 0.000 0.260 802 N C -0.260 175.171 175.510 -0.133 0.000 1.236 802 N CA 0.420 53.432 53.050 -0.064 0.000 0.938 802 N CB 1.389 39.869 38.487 -0.011 0.000 1.128 802 N HN 0.130 nan 8.380 nan 0.000 0.448 803 S N 0.381 116.032 115.700 -0.082 0.000 2.707 803 S HA 0.236 4.706 4.470 -0.000 0.000 0.276 803 S C 1.119 175.697 174.600 -0.037 0.000 1.179 803 S CA -0.582 57.554 58.200 -0.107 0.000 0.992 803 S CB 0.458 63.639 63.200 -0.033 0.000 1.030 803 S HN 0.565 nan 8.310 nan 0.000 0.554 804 Y N -0.497 119.804 120.300 0.002 0.000 2.314 804 Y HA -0.049 4.501 4.550 -0.000 0.000 0.293 804 Y C 2.305 178.217 175.900 0.020 0.000 1.129 804 Y CA 0.234 58.347 58.100 0.023 0.000 1.201 804 Y CB -0.017 38.456 38.460 0.021 0.000 0.999 804 Y HN 0.455 nan 8.280 nan 0.000 0.541 805 L N 0.968 122.292 121.223 0.168 0.000 2.046 805 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 805 L C 2.025 178.941 176.870 0.077 0.000 1.077 805 L CA 1.909 56.807 54.840 0.096 0.000 0.747 805 L CB -0.755 41.343 42.059 0.064 0.000 0.896 805 L HN 0.230 nan 8.230 nan 0.000 0.432 806 R N -0.443 120.099 120.500 0.071 0.000 2.075 806 R HA 0.160 4.500 4.340 -0.000 0.000 0.226 806 R C 0.574 176.914 176.300 0.066 0.000 1.114 806 R CA 0.723 56.855 56.100 0.055 0.000 0.972 806 R CB -0.284 30.038 30.300 0.038 0.000 0.869 806 R HN 0.508 nan 8.270 nan 0.000 0.437 807 G N 1.313 110.171 108.800 0.097 0.000 3.421 807 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 807 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 807 G C -0.798 174.166 174.900 0.106 0.000 1.056 807 G CA -1.007 44.161 45.100 0.114 0.000 0.891 807 G HN -0.024 nan 8.290 nan 0.000 0.514 808 L N 1.683 123.002 121.223 0.160 0.000 2.492 808 L HA 0.519 4.859 4.340 -0.000 0.000 0.280 808 L C 1.860 178.805 176.870 0.125 0.000 1.240 808 L CA 0.947 55.882 54.840 0.158 0.000 0.831 808 L CB 0.373 42.595 42.059 0.272 0.000 1.100 808 L HN 0.988 nan 8.230 nan 0.000 0.505 809 T N -1.293 113.326 114.554 0.107 0.000 2.934 809 T HA 0.390 4.740 4.350 -0.000 0.000 0.283 809 T C -1.902 172.847 174.700 0.082 0.000 1.005 809 T CA -1.887 60.256 62.100 0.072 0.000 1.041 809 T CB 1.218 70.126 68.868 0.066 0.000 1.042 809 T HN 0.400 nan 8.240 nan 0.000 0.505 810 P HA -0.207 nan 4.420 nan 0.000 0.219 810 P C 1.342 178.648 177.300 0.010 0.000 1.153 810 P CA 1.385 64.507 63.100 0.036 0.000 0.865 810 P CB 0.069 31.772 31.700 0.005 0.000 0.788 811 Q N -0.879 118.855 119.800 -0.110 0.000 2.061 811 Q HA -0.073 4.267 4.340 -0.000 0.000 0.195 811 Q C 2.151 177.906 176.000 -0.408 0.000 0.967 811 Q CA 1.251 56.799 55.803 -0.424 0.000 0.829 811 Q CB -0.847 27.666 28.738 -0.374 0.000 0.900 811 Q HN 0.329 nan 8.270 nan 0.000 0.450 812 E N -0.036 120.122 120.200 -0.070 0.000 2.114 812 E HA -0.240 4.110 4.350 -0.000 0.000 0.199 812 E C 1.678 178.364 176.600 0.143 0.000 1.008 812 E CA 1.226 57.676 56.400 0.083 0.000 0.810 812 E CB -0.273 29.492 29.700 0.108 0.000 0.739 812 E HN 0.233 nan 8.360 nan 0.000 0.456 813 F N 0.620 120.587 119.950 0.028 0.000 2.046 813 F HA -0.235 4.292 4.527 -0.000 0.000 0.297 813 F C 2.108 177.960 175.800 0.087 0.000 1.123 813 F CA 1.577 59.623 58.000 0.076 0.000 1.199 813 F CB -0.431 38.601 39.000 0.054 0.000 0.972 813 F HN -0.035 nan 8.300 nan 0.000 0.474 814 F N -0.156 119.799 119.950 0.008 0.000 2.216 814 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 814 F C 1.975 177.784 175.800 0.015 0.000 1.085 814 F CA 1.521 59.480 58.000 -0.068 0.000 1.326 814 F CB -0.598 38.357 39.000 -0.076 0.000 1.027 814 F HN 0.027 nan 8.300 nan 0.000 0.497 815 F N -1.502 118.550 119.950 0.171 0.000 2.128 815 F HA -0.227 4.300 4.527 -0.000 0.000 0.295 815 F C 2.682 178.474 175.800 -0.014 0.000 1.100 815 F CA 0.851 58.904 58.000 0.089 0.000 1.260 815 F CB -0.766 38.320 39.000 0.143 0.000 1.009 815 F HN 0.010 nan 8.300 nan 0.000 0.476 816 H N 1.092 120.193 119.070 0.051 0.000 2.353 816 H HA -0.184 4.372 4.556 -0.000 0.000 0.298 816 H C 2.070 177.286 175.328 -0.187 0.000 1.103 816 H CA 1.480 57.485 56.048 -0.072 0.000 1.293 816 H CB -0.567 29.132 29.762 -0.104 0.000 1.372 816 H HN 0.221 nan 8.280 nan 0.000 0.501 817 A N 1.029 123.688 122.820 -0.269 0.000 1.842 817 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 817 A C 2.812 180.222 177.584 -0.291 0.000 1.206 817 A CA 2.226 54.004 52.037 -0.431 0.000 0.630 817 A CB -1.027 17.587 19.000 -0.644 0.000 0.839 817 A HN 0.497 nan 8.150 nan 0.000 0.447 818 M N -0.758 118.637 119.600 -0.342 0.000 2.124 818 M HA -0.259 4.221 4.480 -0.000 0.000 0.253 818 M C 2.236 178.481 176.300 -0.092 0.000 1.077 818 M CA 1.826 56.999 55.300 -0.212 0.000 1.085 818 M CB -0.911 31.629 32.600 -0.100 0.000 1.320 818 M HN 0.601 nan 8.290 nan 0.000 0.404 819 G N -0.584 108.201 108.800 -0.025 0.000 2.433 819 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.216 819 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.216 819 G C 1.421 176.324 174.900 0.006 0.000 1.186 819 G CA 1.029 46.136 45.100 0.011 0.000 0.779 819 G HN 0.570 nan 8.290 nan 0.000 0.543 820 G N 1.001 109.808 108.800 0.013 0.000 2.511 820 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 820 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 820 G C 1.814 176.679 174.900 -0.060 0.000 1.218 820 G CA 1.467 46.550 45.100 -0.029 0.000 0.788 820 G HN 0.530 nan 8.290 nan 0.000 0.560 821 R N 0.887 121.329 120.500 -0.098 0.000 2.267 821 R HA -0.173 4.167 4.340 -0.000 0.000 0.259 821 R C 2.165 178.431 176.300 -0.057 0.000 1.192 821 R CA 2.218 58.267 56.100 -0.086 0.000 1.013 821 R CB -0.529 29.705 30.300 -0.109 0.000 0.877 821 R HN 0.584 nan 8.270 nan 0.000 0.474 822 E N -1.260 118.913 120.200 -0.046 0.000 2.076 822 E HA -0.061 4.289 4.350 -0.000 0.000 0.190 822 E C 1.772 178.357 176.600 -0.024 0.000 0.979 822 E CA 0.943 57.324 56.400 -0.032 0.000 0.807 822 E CB -0.270 29.413 29.700 -0.028 0.000 0.761 822 E HN 0.562 nan 8.360 nan 0.000 0.454 823 G N 1.810 110.597 108.800 -0.020 0.000 2.480 823 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 823 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 823 G C 1.615 176.503 174.900 -0.019 0.000 1.200 823 G CA 0.774 45.866 45.100 -0.014 0.000 0.782 823 G HN 0.191 nan 8.290 nan 0.000 0.554 824 L N 0.192 121.398 121.223 -0.027 0.000 2.064 824 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 824 L C 2.890 179.746 176.870 -0.025 0.000 1.077 824 L CA 0.972 55.795 54.840 -0.029 0.000 0.766 824 L CB -0.512 41.524 42.059 -0.038 0.000 0.890 824 L HN 0.269 nan 8.230 nan 0.000 0.435 825 I N 0.497 121.052 120.570 -0.025 0.000 2.060 825 I HA -0.315 3.855 4.170 -0.000 0.000 0.233 825 I C 2.364 178.471 176.117 -0.016 0.000 1.054 825 I CA 1.841 63.129 61.300 -0.021 0.000 1.318 825 I CB -0.586 37.402 38.000 -0.021 0.000 1.054 825 I HN 0.417 nan 8.210 nan 0.000 0.395 826 D N -0.273 120.118 120.400 -0.014 0.000 2.221 826 D HA -0.217 4.423 4.640 -0.000 0.000 0.204 826 D C 1.929 178.224 176.300 -0.009 0.000 0.982 826 D CA 1.654 55.648 54.000 -0.009 0.000 0.857 826 D CB -0.901 39.895 40.800 -0.007 0.000 0.934 826 D HN 0.163 nan 8.370 nan 0.000 0.475 827 T N -1.138 113.409 114.554 -0.012 0.000 2.803 827 T HA -0.069 4.281 4.350 -0.000 0.000 0.269 827 T C 1.770 176.462 174.700 -0.013 0.000 1.052 827 T CA 1.732 63.825 62.100 -0.013 0.000 1.136 827 T CB -0.476 68.383 68.868 -0.015 0.000 0.864 827 T HN 0.384 nan 8.240 nan 0.000 0.467 828 A N -0.245 122.567 122.820 -0.013 0.000 2.169 828 A HA 0.244 4.564 4.320 -0.000 0.000 0.212 828 A C 2.152 179.730 177.584 -0.010 0.000 1.153 828 A CA 0.670 52.699 52.037 -0.013 0.000 0.756 828 A CB 0.035 19.026 19.000 -0.015 0.000 0.813 828 A HN 0.451 nan 8.150 nan 0.000 0.471 829 V N -1.117 118.793 119.914 -0.007 0.000 2.788 829 V HA 0.012 4.132 4.120 -0.000 0.000 0.241 829 V C 2.135 178.231 176.094 0.004 0.000 1.083 829 V CA 1.361 63.660 62.300 -0.002 0.000 1.103 829 V CB -0.569 31.253 31.823 -0.001 0.000 0.800 829 V HN 0.299 nan 8.190 nan 0.000 0.476 830 K N 0.793 121.194 120.400 0.001 0.000 2.228 830 K HA -0.205 4.115 4.320 -0.000 0.000 0.205 830 K C 2.304 178.906 176.600 0.003 0.000 1.045 830 K CA 2.031 58.319 56.287 0.003 0.000 0.931 830 K CB -0.678 31.820 32.500 -0.003 0.000 0.727 830 K HN 0.542 nan 8.250 nan 0.000 0.458 831 T N -1.293 113.261 114.554 -0.001 0.000 2.770 831 T HA 0.004 4.354 4.350 -0.000 0.000 0.263 831 T C 1.747 176.452 174.700 0.008 0.000 1.039 831 T CA 1.272 63.370 62.100 -0.003 0.000 1.142 831 T CB -0.208 68.654 68.868 -0.010 0.000 0.868 831 T HN 0.230 nan 8.240 nan 0.000 0.435 832 A N 0.341 123.167 122.820 0.010 0.000 1.968 832 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 832 A C 2.159 179.775 177.584 0.053 0.000 1.169 832 A CA 1.721 53.770 52.037 0.019 0.000 0.638 832 A CB -0.577 18.424 19.000 0.000 0.000 0.812 832 A HN 0.699 nan 8.150 nan 0.000 0.446 833 E N -1.273 118.958 120.200 0.052 0.000 2.076 833 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 833 E C 2.077 178.726 176.600 0.083 0.000 0.979 833 E CA 1.213 57.665 56.400 0.087 0.000 0.807 833 E CB -0.123 29.614 29.700 0.062 0.000 0.761 833 E HN 0.488 nan 8.360 nan 0.000 0.454 834 T N -0.582 113.997 114.554 0.041 0.000 2.665 834 T HA -0.170 4.180 4.350 -0.000 0.000 0.268 834 T C 1.686 176.403 174.700 0.028 0.000 1.035 834 T CA 1.620 63.730 62.100 0.017 0.000 1.151 834 T CB -0.689 68.175 68.868 -0.006 0.000 0.862 834 T HN 0.404 nan 8.240 nan 0.000 0.438 835 G N -0.301 108.525 108.800 0.044 0.000 2.514 835 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 835 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 835 G C 1.388 176.362 174.900 0.123 0.000 1.198 835 G CA 1.199 46.334 45.100 0.058 0.000 0.780 835 G HN 0.567 nan 8.290 nan 0.000 0.565 836 Y N 1.456 121.762 120.300 0.009 0.000 2.165 836 Y HA -0.079 4.471 4.550 -0.000 0.000 0.286 836 Y C 2.646 178.572 175.900 0.042 0.000 1.155 836 Y CA 0.992 59.113 58.100 0.035 0.000 1.164 836 Y CB -0.388 38.094 38.460 0.038 0.000 0.978 836 Y HN 0.223 nan 8.280 nan 0.000 0.513 837 I N -0.194 120.367 120.570 -0.015 0.000 2.208 837 I HA -0.353 3.817 4.170 -0.000 0.000 0.245 837 I C 2.644 178.686 176.117 -0.124 0.000 1.097 837 I CA 1.638 62.863 61.300 -0.126 0.000 1.363 837 I CB -0.483 37.483 38.000 -0.057 0.000 1.051 837 I HN 0.272 nan 8.210 nan 0.000 0.413 838 Q N 0.910 120.668 119.800 -0.069 0.000 2.135 838 Q HA -0.266 4.074 4.340 -0.000 0.000 0.204 838 Q C 2.280 178.226 176.000 -0.090 0.000 0.981 838 Q CA 1.797 57.551 55.803 -0.081 0.000 0.856 838 Q CB -0.145 28.557 28.738 -0.059 0.000 0.902 838 Q HN 0.464 nan 8.270 nan 0.000 0.425 839 R N -0.005 120.468 120.500 -0.045 0.000 2.061 839 R HA -0.105 4.235 4.340 -0.000 0.000 0.230 839 R C 2.348 178.574 176.300 -0.122 0.000 1.140 839 R CA 1.436 57.523 56.100 -0.022 0.000 0.940 839 R CB -0.093 30.284 30.300 0.127 0.000 0.839 839 R HN 0.085 nan 8.270 nan 0.000 0.429 840 R N 0.436 120.833 120.500 -0.171 0.000 2.103 840 R HA -0.149 4.191 4.340 -0.000 0.000 0.242 840 R C 2.404 178.462 176.300 -0.404 0.000 1.142 840 R CA 1.905 57.839 56.100 -0.276 0.000 0.960 840 R CB -0.525 29.619 30.300 -0.260 0.000 0.858 840 R HN 0.291 nan 8.270 nan 0.000 0.439 841 L N -0.115 120.929 121.223 -0.299 0.000 1.970 841 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 841 L C 2.326 178.997 176.870 -0.332 0.000 1.071 841 L CA 1.439 56.098 54.840 -0.302 0.000 0.751 841 L CB -0.532 41.403 42.059 -0.207 0.000 0.889 841 L HN 0.102 nan 8.230 nan 0.000 0.432 842 V N -0.460 119.301 119.914 -0.255 0.000 2.332 842 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 842 V C 2.470 178.396 176.094 -0.279 0.000 1.055 842 V CA 1.505 63.671 62.300 -0.223 0.000 1.038 842 V CB -0.568 31.164 31.823 -0.151 0.000 0.651 842 V HN 0.360 nan 8.190 nan 0.000 0.450 843 K N 0.141 120.326 120.400 -0.358 0.000 2.362 843 K HA 0.073 4.393 4.320 -0.000 0.000 0.200 843 K C 1.839 178.100 176.600 -0.565 0.000 1.046 843 K CA 1.172 57.221 56.287 -0.397 0.000 0.952 843 K CB -0.332 31.862 32.500 -0.510 0.000 0.753 843 K HN 0.509 nan 8.250 nan 0.000 0.466 844 A N -0.147 122.155 122.820 -0.863 0.000 2.308 844 A HA 0.179 4.499 4.320 -0.000 0.000 0.217 844 A C 1.403 178.684 177.584 -0.505 0.000 1.216 844 A CA 0.151 51.519 52.037 -1.116 0.000 0.864 844 A CB 0.108 18.142 19.000 -1.610 0.000 0.902 844 A HN 0.194 nan 8.150 nan 0.000 0.499 845 L N -1.893 119.126 121.223 -0.339 0.000 3.217 845 L HA 0.172 4.512 4.340 -0.000 0.000 0.288 845 L C 1.396 178.180 176.870 -0.142 0.000 1.202 845 L CA -0.069 54.651 54.840 -0.200 0.000 1.027 845 L CB -0.153 41.803 42.059 -0.172 0.000 1.427 845 L HN 0.237 nan 8.230 nan 0.000 0.600 846 E N 1.920 122.029 120.200 -0.150 0.000 2.154 846 E HA -0.324 4.026 4.350 -0.000 0.000 0.240 846 E C 0.925 177.475 176.600 -0.083 0.000 1.059 846 E CA 2.257 58.593 56.400 -0.107 0.000 0.954 846 E CB -0.385 29.262 29.700 -0.088 0.000 0.842 846 E HN 0.587 nan 8.360 nan 0.000 0.508 847 D N 0.832 121.193 120.400 -0.065 0.000 2.379 847 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 847 D C 0.411 176.692 176.300 -0.031 0.000 1.088 847 D CA 0.507 54.480 54.000 -0.044 0.000 0.925 847 D CB -0.485 40.301 40.800 -0.023 0.000 0.888 847 D HN 0.179 nan 8.370 nan 0.000 0.529 848 I N 1.141 121.685 120.570 -0.042 0.000 2.312 848 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 848 I C 0.295 176.388 176.117 -0.039 0.000 1.031 848 I CA -0.492 60.796 61.300 -0.020 0.000 1.293 848 I CB 0.677 38.666 38.000 -0.019 0.000 1.403 848 I HN -0.008 nan 8.210 nan 0.000 0.484 849 M N 5.259 124.838 119.600 -0.034 0.000 2.470 849 M HA 0.500 4.980 4.480 -0.000 0.000 0.285 849 M C -1.462 174.781 176.300 -0.095 0.000 1.213 849 M CA -0.850 54.378 55.300 -0.119 0.000 0.901 849 M CB 2.073 34.545 32.600 -0.213 0.000 1.718 849 M HN 0.019 nan 8.290 nan 0.000 0.469 850 V N 4.087 123.907 119.914 -0.156 0.000 2.450 850 V HA 0.097 4.217 4.120 -0.000 0.000 0.281 850 V C 0.417 176.435 176.094 -0.125 0.000 1.019 850 V CA 0.416 62.661 62.300 -0.093 0.000 1.062 850 V CB -0.612 31.113 31.823 -0.163 0.000 0.979 850 V HN 0.746 nan 8.190 nan 0.000 0.477 851 H N 4.129 123.149 119.070 -0.083 0.000 2.544 851 H HA 0.133 4.689 4.556 -0.000 0.000 0.365 851 H C 0.578 175.893 175.328 -0.022 0.000 1.268 851 H CA -0.251 55.741 56.048 -0.095 0.000 1.400 851 H CB 0.897 30.633 29.762 -0.043 0.000 1.538 851 H HN 0.629 nan 8.280 nan 0.000 0.597 852 Y N 0.411 120.793 120.300 0.136 0.000 2.651 852 Y HA -0.200 4.350 4.550 -0.000 0.000 0.293 852 Y C 1.249 177.190 175.900 0.068 0.000 1.151 852 Y CA 0.754 58.901 58.100 0.078 0.000 1.362 852 Y CB 0.105 38.610 38.460 0.075 0.000 0.973 852 Y HN 0.620 nan 8.280 nan 0.000 0.561 853 D N -2.823 117.719 120.400 0.237 0.000 2.402 853 D HA 0.004 4.644 4.640 -0.000 0.000 0.216 853 D C 0.204 176.582 176.300 0.130 0.000 1.128 853 D CA -0.014 54.079 54.000 0.155 0.000 0.833 853 D CB -0.315 40.559 40.800 0.124 0.000 0.971 853 D HN 0.019 nan 8.370 nan 0.000 0.503 854 N N -0.997 117.783 118.700 0.135 0.000 2.850 854 N HA -0.165 4.575 4.740 -0.000 0.000 0.249 854 N C -0.679 174.903 175.510 0.120 0.000 1.060 854 N CA 1.117 54.236 53.050 0.115 0.000 0.825 854 N CB -1.592 36.958 38.487 0.104 0.000 1.132 854 N HN 0.385 nan 8.380 nan 0.000 0.564 855 T N 0.365 114.983 114.554 0.108 0.000 2.907 855 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 855 T C -0.049 174.690 174.700 0.064 0.000 1.004 855 T CA 0.203 62.336 62.100 0.055 0.000 1.063 855 T CB 1.080 69.946 68.868 -0.004 0.000 0.992 855 T HN 0.021 nan 8.240 nan 0.000 0.483 856 T N 6.160 120.729 114.554 0.024 0.000 2.753 856 T HA 0.522 4.872 4.350 -0.000 0.000 0.297 856 T C -0.034 174.664 174.700 -0.004 0.000 0.981 856 T CA -0.541 61.596 62.100 0.062 0.000 0.956 856 T CB 0.361 69.298 68.868 0.115 0.000 0.936 856 T HN 0.508 nan 8.240 nan 0.000 0.463 857 R N 2.242 122.776 120.500 0.057 0.000 2.922 857 R HA 0.549 4.889 4.340 -0.000 0.000 0.256 857 R C 0.175 176.497 176.300 0.036 0.000 1.138 857 R CA -1.135 54.949 56.100 -0.027 0.000 0.995 857 R CB 1.507 31.693 30.300 -0.189 0.000 1.226 857 R HN 0.730 nan 8.270 nan 0.000 0.481 858 N N -1.651 117.047 118.700 -0.003 0.000 2.776 858 N HA 0.116 4.856 4.740 -0.000 0.000 0.319 858 N C 0.275 175.802 175.510 0.029 0.000 1.316 858 N CA -0.666 52.391 53.050 0.012 0.000 0.890 858 N CB 0.956 39.439 38.487 -0.007 0.000 1.165 858 N HN 0.479 nan 8.380 nan 0.000 0.596 859 S N -0.938 114.774 115.700 0.020 0.000 2.660 859 S HA 0.068 4.538 4.470 -0.000 0.000 0.223 859 S C 1.207 175.813 174.600 0.009 0.000 0.963 859 S CA -0.035 58.179 58.200 0.023 0.000 0.932 859 S CB -0.541 62.667 63.200 0.014 0.000 0.775 859 S HN 0.525 nan 8.310 nan 0.000 0.531 860 L N -0.062 121.159 121.223 -0.004 0.000 2.701 860 L HA 0.370 4.710 4.340 -0.000 0.000 0.238 860 L C 1.770 178.619 176.870 -0.035 0.000 1.106 860 L CA 0.514 55.347 54.840 -0.012 0.000 0.898 860 L CB 0.193 42.249 42.059 -0.005 0.000 1.188 860 L HN 0.567 nan 8.230 nan 0.000 0.508 861 G N 0.086 108.846 108.800 -0.067 0.000 2.175 861 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 861 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 861 G C 0.015 174.843 174.900 -0.120 0.000 0.982 861 G CA -0.116 44.909 45.100 -0.125 0.000 0.641 861 G HN 0.351 nan 8.290 nan 0.000 0.527 862 N N 0.851 119.502 118.700 -0.082 0.000 2.468 862 N HA 0.385 5.125 4.740 -0.000 0.000 0.265 862 N C 0.703 176.137 175.510 -0.127 0.000 1.199 862 N CA 0.070 53.073 53.050 -0.079 0.000 0.928 862 N CB 1.381 39.843 38.487 -0.042 0.000 1.059 862 N HN 0.243 nan 8.380 nan 0.000 0.467 863 V N 2.993 122.796 119.914 -0.185 0.000 2.843 863 V HA 0.067 4.187 4.120 -0.000 0.000 0.305 863 V C 1.560 177.503 176.094 -0.252 0.000 1.065 863 V CA 0.364 62.468 62.300 -0.327 0.000 1.116 863 V CB 0.466 31.881 31.823 -0.680 0.000 0.968 863 V HN 0.640 nan 8.190 nan 0.000 0.487 864 I N 1.005 121.436 120.570 -0.231 0.000 4.398 864 I HA 0.198 4.368 4.170 -0.000 0.000 0.310 864 I C 0.502 176.559 176.117 -0.099 0.000 1.232 864 I CA 0.304 61.533 61.300 -0.118 0.000 1.312 864 I CB 0.632 38.597 38.000 -0.058 0.000 1.347 864 I HN 0.561 nan 8.210 nan 0.000 0.454 865 Q N -0.300 119.423 119.800 -0.128 0.000 2.289 865 Q HA 0.341 4.681 4.340 -0.000 0.000 0.270 865 Q C -0.474 175.452 176.000 -0.124 0.000 1.038 865 Q CA -0.509 55.275 55.803 -0.031 0.000 0.812 865 Q CB 2.729 31.500 28.738 0.055 0.000 1.300 865 Q HN 0.029 nan 8.270 nan 0.000 0.427 866 F N 0.814 120.796 119.950 0.054 0.000 2.206 866 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 866 F C 0.713 176.554 175.800 0.068 0.000 1.090 866 F CA 0.942 58.972 58.000 0.051 0.000 1.323 866 F CB 0.557 39.579 39.000 0.036 0.000 1.028 866 F HN 0.386 nan 8.300 nan 0.000 0.492 867 I N -1.545 119.154 120.570 0.215 0.000 2.512 867 I HA 0.119 4.289 4.170 -0.000 0.000 0.287 867 I C -0.894 175.324 176.117 0.168 0.000 1.069 867 I CA -1.209 60.196 61.300 0.175 0.000 1.056 867 I CB 1.057 39.148 38.000 0.152 0.000 1.229 867 I HN -0.142 nan 8.210 nan 0.000 0.429 868 Y N 6.723 127.058 120.300 0.059 0.000 2.881 868 Y HA 0.262 4.812 4.550 -0.000 0.000 0.335 868 Y C 1.455 177.395 175.900 0.067 0.000 1.263 868 Y CA 1.287 59.418 58.100 0.052 0.000 1.572 868 Y CB 0.220 38.702 38.460 0.037 0.000 1.237 868 Y HN 0.904 nan 8.280 nan 0.000 0.568 869 G N 4.282 112.780 108.800 -0.503 0.000 2.168 869 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.257 869 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.257 869 G C 0.463 175.322 174.900 -0.068 0.000 0.997 869 G CA 0.605 45.484 45.100 -0.369 0.000 0.708 869 G HN 0.964 nan 8.290 nan 0.000 0.520 870 E N -1.620 118.581 120.200 0.002 0.000 3.547 870 E HA -0.298 4.052 4.350 -0.000 0.000 0.300 870 E C 1.131 177.738 176.600 0.012 0.000 0.857 870 E CA 1.609 58.031 56.400 0.036 0.000 1.039 870 E CB -0.596 29.127 29.700 0.038 0.000 1.524 870 E HN 0.873 nan 8.360 nan 0.000 0.457 871 D N -2.117 118.285 120.400 0.003 0.000 2.368 871 D HA 0.099 4.739 4.640 -0.000 0.000 0.305 871 D C 1.244 177.563 176.300 0.032 0.000 1.143 871 D CA 0.918 54.927 54.000 0.016 0.000 0.847 871 D CB -0.115 40.681 40.800 -0.007 0.000 1.357 871 D HN 0.306 nan 8.370 nan 0.000 0.526 872 G N 0.917 109.758 108.800 0.067 0.000 2.179 872 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.260 872 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.260 872 G C 0.105 175.054 174.900 0.082 0.000 0.977 872 G CA 0.702 45.865 45.100 0.105 0.000 0.641 872 G HN 0.346 nan 8.290 nan 0.000 0.533 873 M N 1.587 121.213 119.600 0.044 0.000 2.274 873 M HA 0.450 4.930 4.480 -0.000 0.000 0.344 873 M C 0.176 176.582 176.300 0.177 0.000 1.161 873 M CA -1.648 53.658 55.300 0.010 0.000 1.126 873 M CB 1.133 33.694 32.600 -0.064 0.000 1.522 873 M HN 0.236 nan 8.290 nan 0.000 0.461 874 D N 2.175 122.674 120.400 0.165 0.000 2.277 874 D HA 0.279 4.919 4.640 -0.000 0.000 0.249 874 D C 0.482 176.902 176.300 0.201 0.000 1.134 874 D CA 0.010 54.152 54.000 0.237 0.000 0.863 874 D CB 1.337 42.293 40.800 0.260 0.000 1.143 874 D HN 0.705 nan 8.370 nan 0.000 0.458 875 A N 3.994 126.922 122.820 0.180 0.000 2.076 875 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 875 A C 2.076 179.691 177.584 0.051 0.000 1.160 875 A CA 1.860 53.956 52.037 0.099 0.000 0.653 875 A CB -0.482 18.561 19.000 0.071 0.000 0.801 875 A HN 0.700 nan 8.150 nan 0.000 0.455 876 A N -1.354 121.463 122.820 -0.005 0.000 2.015 876 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 876 A C 1.606 179.046 177.584 -0.240 0.000 1.163 876 A CA 1.163 53.106 52.037 -0.156 0.000 0.646 876 A CB -0.658 18.183 19.000 -0.266 0.000 0.806 876 A HN 0.653 nan 8.150 nan 0.000 0.448 877 H N -0.977 118.124 119.070 0.052 0.000 2.610 877 H HA 0.414 4.970 4.556 -0.000 0.000 0.302 877 H C -0.449 174.905 175.328 0.043 0.000 1.063 877 H CA 0.079 56.151 56.048 0.040 0.000 1.159 877 H CB -0.206 29.550 29.762 -0.011 0.000 1.427 877 H HN 0.354 nan 8.280 nan 0.000 0.553 878 I N 1.115 121.766 120.570 0.137 0.000 2.740 878 I HA 0.245 4.415 4.170 -0.000 0.000 0.303 878 I C -0.305 175.917 176.117 0.175 0.000 1.044 878 I CA -0.670 60.714 61.300 0.140 0.000 1.064 878 I CB 2.482 40.559 38.000 0.130 0.000 1.249 878 I HN 0.084 nan 8.210 nan 0.000 0.433 879 E N 3.482 123.773 120.200 0.150 0.000 2.390 879 E HA 0.344 4.694 4.350 -0.000 0.000 0.277 879 E C -1.426 175.245 176.600 0.119 0.000 0.939 879 E CA -1.162 55.320 56.400 0.136 0.000 0.769 879 E CB 2.527 32.240 29.700 0.023 0.000 1.251 879 E HN 0.318 nan 8.360 nan 0.000 0.450 880 K N 1.845 122.300 120.400 0.091 0.000 2.383 880 K HA 0.094 4.414 4.320 -0.000 0.000 0.286 880 K C -0.624 176.001 176.600 0.042 0.000 1.051 880 K CA 0.413 56.726 56.287 0.044 0.000 0.974 880 K CB 0.505 32.991 32.500 -0.024 0.000 0.968 880 K HN 0.330 nan 8.250 nan 0.000 0.475 881 Q N 1.411 121.254 119.800 0.071 0.000 2.394 881 Q HA 0.212 4.552 4.340 -0.000 0.000 0.273 881 Q C -1.090 174.954 176.000 0.075 0.000 1.089 881 Q CA -0.857 54.990 55.803 0.074 0.000 0.812 881 Q CB 2.226 31.031 28.738 0.112 0.000 1.353 881 Q HN 0.562 nan 8.270 nan 0.000 0.438 882 S N 2.101 117.834 115.700 0.056 0.000 2.475 882 S HA 0.344 4.814 4.470 -0.000 0.000 0.281 882 S C -0.156 174.503 174.600 0.099 0.000 1.198 882 S CA -0.606 57.629 58.200 0.059 0.000 1.063 882 S CB 0.155 63.373 63.200 0.029 0.000 0.972 882 S HN 0.542 nan 8.310 nan 0.000 0.486 883 L N 5.511 126.815 121.223 0.135 0.000 2.598 883 L HA 0.235 4.575 4.340 -0.000 0.000 0.241 883 L C 0.976 177.921 176.870 0.125 0.000 1.244 883 L CA -0.532 54.392 54.840 0.139 0.000 1.198 883 L CB -0.206 41.966 42.059 0.188 0.000 1.448 883 L HN 0.764 nan 8.230 nan 0.000 0.406 884 D N 0.319 120.796 120.400 0.129 0.000 2.347 884 D HA -0.285 4.355 4.640 -0.000 0.000 0.189 884 D C 1.692 178.093 176.300 0.168 0.000 1.020 884 D CA 2.249 56.344 54.000 0.158 0.000 0.875 884 D CB -0.139 40.796 40.800 0.224 0.000 0.928 884 D HN 0.433 nan 8.370 nan 0.000 0.454 885 T N 1.546 116.178 114.554 0.130 0.000 2.680 885 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 885 T C 2.073 176.825 174.700 0.087 0.000 1.033 885 T CA 1.062 63.215 62.100 0.089 0.000 1.152 885 T CB -0.377 68.489 68.868 -0.005 0.000 0.859 885 T HN 0.260 nan 8.240 nan 0.000 0.452 886 I N 0.294 120.912 120.570 0.080 0.000 2.133 886 I HA 0.001 4.171 4.170 -0.000 0.000 0.238 886 I C 1.757 177.930 176.117 0.093 0.000 1.074 886 I CA 1.087 62.430 61.300 0.071 0.000 1.342 886 I CB -0.661 37.395 38.000 0.093 0.000 1.053 886 I HN 0.325 nan 8.210 nan 0.000 0.404 887 G N -0.480 108.366 108.800 0.076 0.000 2.486 887 G HA2 0.398 4.358 3.960 -0.000 0.000 0.272 887 G HA3 0.398 4.358 3.960 -0.000 0.000 0.272 887 G C 0.016 175.009 174.900 0.155 0.000 1.426 887 G CA 0.190 45.344 45.100 0.089 0.000 1.058 887 G HN 0.810 nan 8.290 nan 0.000 0.531 888 G N -1.782 107.111 108.800 0.155 0.000 2.825 888 G HA2 0.238 4.198 3.960 -0.000 0.000 0.684 888 G HA3 0.238 4.198 3.960 -0.000 0.000 0.684 888 G C 0.258 175.248 174.900 0.149 0.000 1.528 888 G CA 0.363 45.554 45.100 0.153 0.000 0.963 888 G HN 1.971 nan 8.290 nan 0.000 0.577 889 S N 0.196 115.972 115.700 0.126 0.000 2.585 889 S HA 0.396 4.866 4.470 -0.000 0.000 0.273 889 S C 1.115 175.793 174.600 0.130 0.000 1.339 889 S CA 0.427 58.687 58.200 0.099 0.000 1.028 889 S CB 1.510 64.758 63.200 0.081 0.000 0.906 889 S HN 0.600 nan 8.310 nan 0.000 0.528 890 D N 1.869 122.320 120.400 0.086 0.000 2.221 890 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 890 D C 2.099 178.523 176.300 0.207 0.000 0.982 890 D CA 1.534 55.605 54.000 0.119 0.000 0.857 890 D CB -0.607 40.223 40.800 0.051 0.000 0.934 890 D HN 0.716 nan 8.370 nan 0.000 0.475 891 A N 1.659 124.566 122.820 0.145 0.000 1.841 891 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 891 A C 2.397 180.070 177.584 0.148 0.000 1.199 891 A CA 2.464 54.578 52.037 0.129 0.000 0.621 891 A CB -0.862 18.190 19.000 0.087 0.000 0.835 891 A HN 0.265 nan 8.150 nan 0.000 0.445 892 A N -1.970 120.938 122.820 0.147 0.000 2.066 892 A HA 0.099 4.419 4.320 -0.000 0.000 0.218 892 A C 1.954 179.657 177.584 0.199 0.000 1.157 892 A CA 1.322 53.438 52.037 0.131 0.000 0.670 892 A CB -0.667 18.397 19.000 0.105 0.000 0.804 892 A HN 0.690 nan 8.150 nan 0.000 0.453 893 F N 1.054 121.086 119.950 0.137 0.000 2.102 893 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 893 F C 2.173 178.146 175.800 0.289 0.000 1.105 893 F CA 2.251 60.371 58.000 0.200 0.000 1.239 893 F CB -0.211 38.845 39.000 0.093 0.000 0.991 893 F HN 0.433 nan 8.300 nan 0.000 0.474 894 E N 0.547 120.956 120.200 0.347 0.000 2.047 894 E HA -0.294 4.056 4.350 -0.000 0.000 0.191 894 E C 2.290 178.938 176.600 0.081 0.000 0.987 894 E CA 1.335 57.915 56.400 0.301 0.000 0.799 894 E CB -0.399 29.485 29.700 0.306 0.000 0.752 894 E HN 0.456 nan 8.360 nan 0.000 0.449 895 K N 0.385 120.802 120.400 0.029 0.000 2.360 895 K HA -0.193 4.127 4.320 -0.000 0.000 0.201 895 K C 2.200 178.726 176.600 -0.123 0.000 1.046 895 K CA 1.087 57.329 56.287 -0.076 0.000 0.940 895 K CB 0.030 32.502 32.500 -0.047 0.000 0.748 895 K HN 0.021 nan 8.250 nan 0.000 0.465 896 R N -1.081 119.347 120.500 -0.120 0.000 2.087 896 R HA 0.004 4.344 4.340 -0.000 0.000 0.213 896 R C 1.277 177.304 176.300 -0.456 0.000 1.137 896 R CA 0.713 56.621 56.100 -0.320 0.000 1.022 896 R CB 0.033 30.096 30.300 -0.396 0.000 0.920 896 R HN 0.175 nan 8.270 nan 0.000 0.451 897 Y N 0.033 120.177 120.300 -0.260 0.000 2.482 897 Y HA 0.252 4.802 4.550 -0.000 0.000 0.270 897 Y C 0.447 176.386 175.900 0.064 0.000 1.152 897 Y CA -0.268 57.715 58.100 -0.196 0.000 1.292 897 Y CB 0.116 38.298 38.460 -0.464 0.000 1.070 897 Y HN -0.139 nan 8.280 nan 0.000 0.528 898 R N 1.199 121.820 120.500 0.203 0.000 2.340 898 R HA 0.443 4.783 4.340 -0.000 0.000 0.300 898 R C -1.477 174.776 176.300 -0.080 0.000 1.069 898 R CA -0.289 55.810 56.100 -0.002 0.000 0.984 898 R CB 0.360 30.523 30.300 -0.228 0.000 1.003 898 R HN -0.083 nan 8.270 nan 0.000 0.459 899 V N 5.304 125.173 119.914 -0.074 0.000 2.462 899 V HA 0.228 4.348 4.120 -0.000 0.000 0.288 899 V C -1.053 175.011 176.094 -0.050 0.000 1.020 899 V CA -0.861 61.409 62.300 -0.050 0.000 0.857 899 V CB 1.611 33.419 31.823 -0.025 0.000 1.013 899 V HN 0.750 nan 8.190 nan 0.000 0.431 900 D N 4.610 124.998 120.400 -0.020 0.000 2.460 900 D HA 0.359 4.999 4.640 -0.000 0.000 0.232 900 D C 0.788 177.087 176.300 -0.002 0.000 1.079 900 D CA -0.297 53.695 54.000 -0.012 0.000 0.864 900 D CB 1.788 42.602 40.800 0.023 0.000 1.048 900 D HN 0.408 nan 8.370 nan 0.000 0.523 901 L N 2.927 124.141 121.223 -0.015 0.000 2.217 901 L HA 0.007 4.347 4.340 -0.000 0.000 0.211 901 L C 1.567 178.427 176.870 -0.017 0.000 1.107 901 L CA 0.656 55.488 54.840 -0.014 0.000 0.783 901 L CB 0.015 42.065 42.059 -0.017 0.000 0.919 901 L HN 0.396 nan 8.230 nan 0.000 0.442 902 L N 0.265 121.475 121.223 -0.022 0.000 2.955 902 L HA 0.176 4.516 4.340 -0.000 0.000 0.238 902 L C -0.018 176.829 176.870 -0.038 0.000 1.359 902 L CA 0.154 54.977 54.840 -0.027 0.000 1.214 902 L CB -1.010 41.032 42.059 -0.028 0.000 1.600 902 L HN 0.281 nan 8.230 nan 0.000 0.442 903 N N -1.465 117.215 118.700 -0.034 0.000 2.521 903 N HA 0.071 4.811 4.740 -0.000 0.000 0.269 903 N C 0.344 175.834 175.510 -0.032 0.000 1.079 903 N CA -0.279 52.739 53.050 -0.054 0.000 0.980 903 N CB 1.641 40.071 38.487 -0.096 0.000 1.667 903 N HN -0.141 nan 8.380 nan 0.000 0.498 904 T N 0.815 115.345 114.554 -0.039 0.000 2.977 904 T HA -0.040 4.310 4.350 -0.000 0.000 0.271 904 T C 0.243 174.944 174.700 0.001 0.000 1.105 904 T CA 1.014 63.103 62.100 -0.019 0.000 1.116 904 T CB -0.071 68.782 68.868 -0.024 0.000 0.878 904 T HN 0.496 nan 8.240 nan 0.000 0.509 905 D N -0.571 119.827 120.400 -0.003 0.000 2.469 905 D HA 0.087 4.727 4.640 -0.000 0.000 0.213 905 D C 0.221 176.769 176.300 0.413 0.000 1.135 905 D CA 0.236 54.294 54.000 0.098 0.000 0.834 905 D CB 0.470 41.282 40.800 0.020 0.000 1.009 905 D HN 0.334 nan 8.370 nan 0.000 0.507 906 H N -0.833 118.211 119.070 -0.042 0.000 2.750 906 H HA 0.254 4.810 4.556 -0.000 0.000 0.239 906 H C -0.176 175.118 175.328 -0.057 0.000 1.210 906 H CA -0.324 55.691 56.048 -0.054 0.000 0.936 906 H CB 0.436 30.158 29.762 -0.066 0.000 2.074 906 H HN -0.174 nan 8.280 nan 0.000 0.622 907 T N 0.563 115.154 114.554 0.061 0.000 2.948 907 T HA 0.500 4.850 4.350 -0.000 0.000 0.285 907 T C 0.062 174.755 174.700 -0.012 0.000 1.019 907 T CA -0.758 61.349 62.100 0.011 0.000 1.013 907 T CB 0.736 69.606 68.868 0.002 0.000 1.117 907 T HN 0.164 nan 8.240 nan 0.000 0.533 908 L N 3.375 124.582 121.223 -0.026 0.000 2.369 908 L HA 0.260 4.600 4.340 -0.000 0.000 0.279 908 L C 0.898 177.751 176.870 -0.028 0.000 1.108 908 L CA -0.555 54.263 54.840 -0.037 0.000 0.852 908 L CB 0.131 42.164 42.059 -0.044 0.000 1.169 908 L HN 0.660 nan 8.230 nan 0.000 0.452 909 D N 7.198 127.582 120.400 -0.027 0.000 2.488 909 D HA -0.004 4.635 4.640 -0.000 0.000 0.238 909 D C -1.474 174.814 176.300 -0.019 0.000 1.138 909 D CA -1.209 52.779 54.000 -0.019 0.000 0.873 909 D CB 1.567 42.356 40.800 -0.018 0.000 1.183 909 D HN 0.350 nan 8.370 nan 0.000 0.458 910 P HA -0.129 nan 4.420 nan 0.000 0.234 910 P C 1.021 178.314 177.300 -0.012 0.000 1.162 910 P CA 0.589 63.680 63.100 -0.015 0.000 0.759 910 P CB -0.029 31.664 31.700 -0.012 0.000 0.813 911 S N -1.579 114.114 115.700 -0.010 0.000 2.496 911 S HA 0.009 4.479 4.470 -0.000 0.000 0.224 911 S C 1.732 176.329 174.600 -0.004 0.000 0.996 911 S CA 0.174 58.371 58.200 -0.004 0.000 0.927 911 S CB -0.968 62.231 63.200 -0.002 0.000 0.774 911 S HN 0.095 nan 8.310 nan 0.000 0.524 912 L N 0.017 121.232 121.223 -0.014 0.000 2.292 912 L HA 0.392 4.732 4.340 -0.000 0.000 0.196 912 L C 1.034 177.892 176.870 -0.022 0.000 1.246 912 L CA -0.328 54.502 54.840 -0.017 0.000 0.864 912 L CB -0.875 41.163 42.059 -0.034 0.000 1.044 912 L HN 0.292 nan 8.230 nan 0.000 0.504 913 L N 0.812 122.015 121.223 -0.033 0.000 2.461 913 L HA -0.016 4.324 4.340 -0.000 0.000 0.272 913 L C 1.162 178.015 176.870 -0.028 0.000 1.197 913 L CA 0.630 55.447 54.840 -0.038 0.000 0.836 913 L CB 0.457 42.488 42.059 -0.047 0.000 1.105 913 L HN 0.264 nan 8.230 nan 0.000 0.477 914 E N 0.964 121.147 120.200 -0.029 0.000 2.028 914 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 914 E C 1.173 177.760 176.600 -0.022 0.000 0.984 914 E CA 1.205 57.592 56.400 -0.022 0.000 0.800 914 E CB 0.063 29.750 29.700 -0.022 0.000 0.758 914 E HN 0.869 nan 8.360 nan 0.000 0.448 915 S N -0.340 115.344 115.700 -0.027 0.000 2.967 915 S HA 0.120 4.590 4.470 -0.000 0.000 0.254 915 S C 1.379 175.964 174.600 -0.024 0.000 1.089 915 S CA 0.048 58.234 58.200 -0.025 0.000 1.183 915 S CB 0.264 63.447 63.200 -0.028 0.000 0.848 915 S HN 0.339 nan 8.310 nan 0.000 0.477 916 G N 2.464 111.251 108.800 -0.023 0.000 2.402 916 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.216 916 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.216 916 G C 1.661 176.550 174.900 -0.018 0.000 1.162 916 G CA 0.871 45.958 45.100 -0.022 0.000 0.777 916 G HN 0.757 nan 8.290 nan 0.000 0.539 917 S N 1.529 117.220 115.700 -0.015 0.000 2.362 917 S HA -0.074 4.396 4.470 -0.000 0.000 0.221 917 S C 1.979 176.571 174.600 -0.014 0.000 1.032 917 S CA 1.353 59.545 58.200 -0.013 0.000 0.973 917 S CB -0.502 62.691 63.200 -0.011 0.000 0.849 917 S HN 0.666 nan 8.310 nan 0.000 0.465 918 E N 0.719 120.911 120.200 -0.014 0.000 2.533 918 E HA 0.161 4.511 4.350 -0.000 0.000 0.201 918 E C 1.567 178.158 176.600 -0.016 0.000 1.097 918 E CA 0.379 56.770 56.400 -0.014 0.000 0.887 918 E CB -0.386 29.306 29.700 -0.014 0.000 0.855 918 E HN 0.667 nan 8.360 nan 0.000 0.540 919 I N 0.248 120.808 120.570 -0.017 0.000 3.526 919 I HA 0.106 4.276 4.170 -0.000 0.000 0.294 919 I C 0.724 176.830 176.117 -0.017 0.000 1.229 919 I CA -0.350 60.939 61.300 -0.019 0.000 1.408 919 I CB 0.590 38.576 38.000 -0.023 0.000 1.127 919 I HN 0.179 nan 8.210 nan 0.000 0.439 920 L N 2.328 123.541 121.223 -0.016 0.000 2.628 920 L HA 0.045 4.385 4.340 -0.000 0.000 0.274 920 L C 1.170 178.031 176.870 -0.015 0.000 1.209 920 L CA 1.221 56.052 54.840 -0.015 0.000 0.930 920 L CB 0.152 42.202 42.059 -0.014 0.000 1.183 920 L HN 0.580 nan 8.230 nan 0.000 0.492 921 G N 2.657 111.448 108.800 -0.016 0.000 2.199 921 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.254 921 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.254 921 G C 0.310 175.201 174.900 -0.015 0.000 0.982 921 G CA 0.199 45.289 45.100 -0.016 0.000 0.632 921 G HN 0.768 nan 8.290 nan 0.000 0.529 922 D N 1.117 121.508 120.400 -0.015 0.000 2.402 922 D HA 0.175 4.815 4.640 -0.000 0.000 0.268 922 D C 1.857 178.149 176.300 -0.013 0.000 1.294 922 D CA 0.006 53.997 54.000 -0.014 0.000 0.945 922 D CB 0.136 40.927 40.800 -0.015 0.000 1.112 922 D HN 0.295 nan 8.370 nan 0.000 0.517 923 L N 4.083 125.299 121.223 -0.012 0.000 2.093 923 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 923 L C 2.444 179.309 176.870 -0.009 0.000 1.085 923 L CA 0.684 55.518 54.840 -0.011 0.000 0.755 923 L CB -0.215 41.838 42.059 -0.010 0.000 0.904 923 L HN 0.331 nan 8.230 nan 0.000 0.435 924 K N 0.233 120.628 120.400 -0.008 0.000 2.147 924 K HA -0.122 4.198 4.320 -0.000 0.000 0.205 924 K C 2.024 178.620 176.600 -0.007 0.000 1.049 924 K CA 1.118 57.401 56.287 -0.007 0.000 0.936 924 K CB -0.151 32.345 32.500 -0.008 0.000 0.722 924 K HN 0.362 nan 8.250 nan 0.000 0.446 925 L N 0.646 121.864 121.223 -0.009 0.000 2.068 925 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 925 L C 2.390 179.257 176.870 -0.005 0.000 1.076 925 L CA 0.702 55.537 54.840 -0.009 0.000 0.753 925 L CB -0.407 41.644 42.059 -0.014 0.000 0.910 925 L HN 0.093 nan 8.230 nan 0.000 0.439 926 Q N 0.031 119.826 119.800 -0.007 0.000 2.376 926 Q HA -0.150 4.190 4.340 -0.000 0.000 0.211 926 Q C 2.231 178.233 176.000 0.003 0.000 0.986 926 Q CA 1.133 56.933 55.803 -0.005 0.000 0.886 926 Q CB -0.359 28.372 28.738 -0.011 0.000 0.927 926 Q HN 0.421 nan 8.270 nan 0.000 0.457 927 V N 0.211 120.126 119.914 0.003 0.000 2.427 927 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 927 V C 2.300 178.402 176.094 0.014 0.000 1.051 927 V CA 1.260 63.564 62.300 0.007 0.000 1.048 927 V CB -0.517 31.308 31.823 0.003 0.000 0.666 927 V HN 0.255 nan 8.190 nan 0.000 0.456 928 L N -0.901 120.329 121.223 0.011 0.000 2.049 928 L HA -0.041 4.299 4.340 -0.000 0.000 0.203 928 L C 2.467 179.354 176.870 0.029 0.000 1.074 928 L CA 0.916 55.766 54.840 0.016 0.000 0.749 928 L CB -0.521 41.542 42.059 0.007 0.000 0.907 928 L HN 0.249 nan 8.230 nan 0.000 0.439 929 L N -0.009 121.229 121.223 0.025 0.000 2.127 929 L HA -0.249 4.091 4.340 -0.000 0.000 0.211 929 L C 2.037 178.950 176.870 0.072 0.000 1.089 929 L CA 1.768 56.632 54.840 0.040 0.000 0.757 929 L CB -1.074 40.995 42.059 0.016 0.000 0.899 929 L HN 0.357 nan 8.230 nan 0.000 0.434 930 D N -0.958 119.475 120.400 0.055 0.000 2.213 930 D HA -0.131 4.508 4.640 -0.000 0.000 0.205 930 D C 2.076 178.437 176.300 0.101 0.000 0.961 930 D CA 0.530 54.578 54.000 0.079 0.000 0.853 930 D CB 0.259 41.083 40.800 0.040 0.000 0.967 930 D HN 0.389 nan 8.370 nan 0.000 0.496 931 E N 0.935 121.174 120.200 0.066 0.000 2.072 931 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 931 E C 1.857 178.494 176.600 0.062 0.000 0.985 931 E CA 0.786 57.217 56.400 0.052 0.000 0.801 931 E CB 0.197 29.915 29.700 0.030 0.000 0.750 931 E HN 0.300 nan 8.360 nan 0.000 0.452 932 E N -0.289 119.955 120.200 0.074 0.000 2.017 932 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 932 E C 1.985 178.646 176.600 0.102 0.000 0.997 932 E CA 1.139 57.584 56.400 0.074 0.000 0.804 932 E CB -0.469 29.278 29.700 0.078 0.000 0.757 932 E HN 0.386 nan 8.360 nan 0.000 0.448 933 Y N 1.209 121.527 120.300 0.030 0.000 2.483 933 Y HA -0.154 4.396 4.550 -0.000 0.000 0.291 933 Y C 2.178 178.121 175.900 0.073 0.000 1.143 933 Y CA 1.707 59.837 58.100 0.049 0.000 1.289 933 Y CB 0.112 38.600 38.460 0.047 0.000 0.983 933 Y HN 0.011 nan 8.280 nan 0.000 0.556 934 K N -0.411 120.090 120.400 0.167 0.000 2.076 934 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 934 K C 2.176 178.782 176.600 0.010 0.000 1.051 934 K CA 1.220 57.569 56.287 0.103 0.000 0.949 934 K CB -0.049 32.503 32.500 0.088 0.000 0.726 934 K HN 0.230 nan 8.250 nan 0.000 0.443 935 Q N 1.178 120.975 119.800 -0.004 0.000 2.020 935 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 935 Q C 1.947 177.907 176.000 -0.066 0.000 0.982 935 Q CA 1.718 57.498 55.803 -0.038 0.000 0.838 935 Q CB -0.339 28.378 28.738 -0.034 0.000 0.899 935 Q HN 0.314 nan 8.270 nan 0.000 0.423 936 L N -0.488 120.683 121.223 -0.087 0.000 2.021 936 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 936 L C 2.397 179.242 176.870 -0.041 0.000 1.074 936 L CA 1.646 56.416 54.840 -0.117 0.000 0.760 936 L CB -1.077 40.827 42.059 -0.258 0.000 0.889 936 L HN 0.218 nan 8.230 nan 0.000 0.433 937 V N 0.224 120.090 119.914 -0.079 0.000 2.515 937 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 937 V C 2.708 178.713 176.094 -0.148 0.000 1.058 937 V CA 2.001 64.207 62.300 -0.156 0.000 1.064 937 V CB -0.300 31.450 31.823 -0.123 0.000 0.675 937 V HN 0.492 nan 8.190 nan 0.000 0.461 938 K N -0.459 119.890 120.400 -0.085 0.000 2.057 938 K HA -0.208 4.112 4.320 -0.000 0.000 0.206 938 K C 1.766 178.341 176.600 -0.042 0.000 1.050 938 K CA 2.001 58.252 56.287 -0.061 0.000 0.935 938 K CB -0.343 32.123 32.500 -0.056 0.000 0.715 938 K HN 0.432 nan 8.250 nan 0.000 0.439 939 D N 0.859 121.227 120.400 -0.053 0.000 2.103 939 D HA -0.213 4.427 4.640 -0.000 0.000 0.190 939 D C 1.988 178.294 176.300 0.009 0.000 0.997 939 D CA 1.325 55.319 54.000 -0.010 0.000 0.833 939 D CB -0.334 40.441 40.800 -0.041 0.000 0.961 939 D HN 0.274 nan 8.370 nan 0.000 0.447 940 R N 0.583 121.030 120.500 -0.088 0.000 2.140 940 R HA -0.197 4.143 4.340 -0.000 0.000 0.250 940 R C 1.819 178.051 176.300 -0.113 0.000 1.150 940 R CA 1.529 57.537 56.100 -0.153 0.000 0.966 940 R CB 0.170 30.216 30.300 -0.424 0.000 0.869 940 R HN 0.032 nan 8.270 nan 0.000 0.445 941 K N -0.316 120.025 120.400 -0.097 0.000 2.076 941 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 941 K C 1.851 178.430 176.600 -0.036 0.000 1.051 941 K CA 1.098 57.342 56.287 -0.072 0.000 0.949 941 K CB -0.617 31.844 32.500 -0.065 0.000 0.726 941 K HN 0.220 nan 8.250 nan 0.000 0.443 942 F N 2.227 122.096 119.950 -0.134 0.000 2.161 942 F HA -0.138 4.389 4.527 -0.000 0.000 0.300 942 F C 1.844 177.526 175.800 -0.197 0.000 1.089 942 F CA 1.120 59.028 58.000 -0.154 0.000 1.282 942 F CB -0.122 38.788 39.000 -0.151 0.000 1.010 942 F HN -0.128 nan 8.300 nan 0.000 0.485 943 L N -0.097 121.012 121.223 -0.190 0.000 2.044 943 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 943 L C 2.513 179.211 176.870 -0.287 0.000 1.075 943 L CA 1.272 55.924 54.840 -0.313 0.000 0.747 943 L CB -0.721 41.304 42.059 -0.057 0.000 0.903 943 L HN 0.001 nan 8.230 nan 0.000 0.435 944 R N -0.161 120.266 120.500 -0.122 0.000 2.341 944 R HA -0.172 4.168 4.340 -0.000 0.000 0.213 944 R C 1.901 178.134 176.300 -0.112 0.000 1.082 944 R CA 0.764 56.853 56.100 -0.019 0.000 1.017 944 R CB -0.056 30.276 30.300 0.053 0.000 0.860 944 R HN 0.467 nan 8.270 nan 0.000 0.473 945 E N -0.187 119.847 120.200 -0.278 0.000 2.166 945 E HA -0.050 4.300 4.350 -0.000 0.000 0.192 945 E C 1.682 178.023 176.600 -0.431 0.000 0.967 945 E CA 0.368 56.577 56.400 -0.319 0.000 0.840 945 E CB 0.455 29.942 29.700 -0.356 0.000 0.795 945 E HN 0.046 nan 8.360 nan 0.000 0.470 946 V N 0.307 119.796 119.914 -0.708 0.000 2.407 946 V HA -0.082 4.038 4.120 -0.000 0.000 0.245 946 V C 0.842 176.563 176.094 -0.622 0.000 1.041 946 V CA 1.197 62.989 62.300 -0.846 0.000 1.040 946 V CB -0.112 30.882 31.823 -1.382 0.000 0.671 946 V HN 0.196 nan 8.190 nan 0.000 0.455 947 F N -0.556 119.201 119.950 -0.321 0.000 2.732 947 F HA 0.297 4.824 4.527 -0.000 0.000 0.312 947 F C 1.394 177.145 175.800 -0.082 0.000 1.240 947 F CA -0.592 57.292 58.000 -0.195 0.000 1.211 947 F CB 0.325 39.225 39.000 -0.167 0.000 1.331 947 F HN -0.156 nan 8.300 nan 0.000 0.537 948 V N 0.500 120.448 119.914 0.058 0.000 2.257 948 V HA -0.460 3.660 4.120 -0.000 0.000 0.257 948 V C 2.414 178.593 176.094 0.142 0.000 1.077 948 V CA 2.558 64.897 62.300 0.065 0.000 1.063 948 V CB -0.434 31.392 31.823 0.005 0.000 0.664 948 V HN 0.633 nan 8.190 nan 0.000 0.450 949 D N 0.022 120.484 120.400 0.103 0.000 2.200 949 D HA -0.171 4.469 4.640 -0.000 0.000 0.192 949 D C 1.630 177.909 176.300 -0.035 0.000 1.008 949 D CA 2.538 56.577 54.000 0.065 0.000 0.872 949 D CB -0.473 40.359 40.800 0.053 0.000 0.923 949 D HN 0.739 nan 8.370 nan 0.000 0.447 950 G N -0.561 108.149 108.800 -0.151 0.000 2.184 950 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.206 950 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.206 950 G C 0.055 174.726 174.900 -0.380 0.000 0.995 950 G CA 0.405 45.058 45.100 -0.745 0.000 0.651 950 G HN 0.567 nan 8.290 nan 0.000 0.511 951 E N 1.020 121.149 120.200 -0.117 0.000 2.493 951 E HA 0.576 4.926 4.350 -0.000 0.000 0.255 951 E C 1.239 177.880 176.600 0.067 0.000 0.999 951 E CA 0.955 57.295 56.400 -0.100 0.000 0.934 951 E CB 0.707 30.322 29.700 -0.140 0.000 0.940 951 E HN 0.752 nan 8.360 nan 0.000 0.473 952 A N 5.160 127.948 122.820 -0.054 0.000 2.267 952 A HA 0.106 4.426 4.320 -0.000 0.000 0.213 952 A C 0.108 177.705 177.584 0.022 0.000 1.192 952 A CA -0.191 51.890 52.037 0.073 0.000 0.851 952 A CB 0.073 19.087 19.000 0.024 0.000 0.881 952 A HN 0.557 nan 8.150 nan 0.000 0.494 953 N N 0.032 118.521 118.700 -0.352 0.000 2.437 953 N HA 0.428 5.168 4.740 -0.000 0.000 0.259 953 N C -1.746 173.261 175.510 -0.839 0.000 0.983 953 N CA 0.144 52.960 53.050 -0.391 0.000 0.937 953 N CB 0.827 39.114 38.487 -0.333 0.000 1.122 953 N HN 0.404 nan 8.380 nan 0.000 0.499 954 W N 1.880 123.092 121.300 -0.146 0.000 3.138 954 W HA 0.360 5.019 4.660 -0.000 0.000 0.331 954 W C -2.229 174.276 176.519 -0.024 0.000 1.166 954 W CA -1.636 55.627 57.345 -0.137 0.000 1.212 954 W CB 1.180 30.529 29.460 -0.186 0.000 1.399 954 W HN 0.284 nan 8.180 nan 0.000 0.514 955 P HA 0.255 nan 4.420 nan 0.000 0.271 955 P C -0.945 176.490 177.300 0.225 0.000 1.233 955 P CA 0.480 63.702 63.100 0.203 0.000 0.764 955 P CB 0.959 32.794 31.700 0.226 0.000 0.825 956 L N 5.591 126.938 121.223 0.207 0.000 2.472 956 L HA 0.469 4.809 4.340 -0.000 0.000 0.260 956 L C -2.276 174.711 176.870 0.195 0.000 0.963 956 L CA -2.497 52.480 54.840 0.228 0.000 0.829 956 L CB 2.835 45.086 42.059 0.320 0.000 1.348 956 L HN 0.199 nan 8.230 nan 0.000 0.408 957 P HA 0.007 nan 4.420 nan 0.000 0.271 957 P C -0.355 177.004 177.300 0.098 0.000 1.233 957 P CA 0.076 63.175 63.100 -0.002 0.000 0.795 957 P CB 0.619 32.154 31.700 -0.276 0.000 0.936 958 V N -0.875 119.074 119.914 0.058 0.000 4.511 958 V HA -0.228 3.892 4.120 -0.000 0.000 0.437 958 V C 0.800 177.002 176.094 0.180 0.000 0.684 958 V CA 0.406 62.784 62.300 0.131 0.000 1.739 958 V CB -1.932 30.014 31.823 0.205 0.000 2.089 958 V HN 0.882 nan 8.190 nan 0.000 0.487 959 N N 4.718 123.473 118.700 0.091 0.000 2.427 959 N HA 0.184 4.924 4.740 -0.000 0.000 0.269 959 N C 0.917 176.455 175.510 0.047 0.000 1.235 959 N CA 0.155 53.242 53.050 0.061 0.000 0.934 959 N CB 0.797 39.282 38.487 -0.004 0.000 1.121 959 N HN 0.719 nan 8.380 nan 0.000 0.480 960 I N 3.093 123.699 120.570 0.060 0.000 2.584 960 I HA -0.112 4.058 4.170 -0.000 0.000 0.255 960 I C 2.437 178.525 176.117 -0.049 0.000 1.145 960 I CA 0.167 61.474 61.300 0.012 0.000 1.462 960 I CB -0.117 37.892 38.000 0.015 0.000 1.102 960 I HN 0.560 nan 8.210 nan 0.000 0.433 961 R N 1.613 122.088 120.500 -0.041 0.000 2.094 961 R HA -0.204 4.136 4.340 -0.000 0.000 0.239 961 R C 2.414 178.650 176.300 -0.107 0.000 1.137 961 R CA 1.773 57.825 56.100 -0.080 0.000 0.943 961 R CB -0.140 30.131 30.300 -0.047 0.000 0.850 961 R HN 0.260 nan 8.270 nan 0.000 0.433 962 R N 0.258 120.712 120.500 -0.076 0.000 2.062 962 R HA -0.076 4.263 4.340 -0.000 0.000 0.231 962 R C 2.442 178.715 176.300 -0.046 0.000 1.136 962 R CA 1.535 57.590 56.100 -0.076 0.000 0.948 962 R CB -0.531 29.742 30.300 -0.044 0.000 0.845 962 R HN 0.321 nan 8.270 nan 0.000 0.430 963 I N 0.958 121.505 120.570 -0.039 0.000 2.730 963 I HA -0.299 3.871 4.170 -0.000 0.000 0.266 963 I C 1.557 177.682 176.117 0.013 0.000 1.228 963 I CA 1.277 62.553 61.300 -0.040 0.000 1.445 963 I CB 0.118 38.069 38.000 -0.082 0.000 1.102 963 I HN 0.274 nan 8.210 nan 0.000 0.464 964 I N -0.741 119.806 120.570 -0.039 0.000 3.172 964 I HA -0.141 4.028 4.170 -0.000 0.000 0.278 964 I C 2.159 178.271 176.117 -0.008 0.000 1.174 964 I CA 0.288 61.555 61.300 -0.054 0.000 1.445 964 I CB 0.018 37.826 38.000 -0.320 0.000 1.175 964 I HN 0.172 nan 8.210 nan 0.000 0.447 965 Q N 0.857 120.612 119.800 -0.075 0.000 2.124 965 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 965 Q C 1.820 177.832 176.000 0.021 0.000 0.977 965 Q CA 1.499 57.236 55.803 -0.110 0.000 0.850 965 Q CB -0.092 28.416 28.738 -0.384 0.000 0.901 965 Q HN 0.469 nan 8.270 nan 0.000 0.429 966 N N 0.769 119.532 118.700 0.105 0.000 2.106 966 N HA -0.134 4.606 4.740 -0.000 0.000 0.188 966 N C 1.746 177.359 175.510 0.171 0.000 1.029 966 N CA 1.343 54.507 53.050 0.190 0.000 0.848 966 N CB -0.547 38.152 38.487 0.354 0.000 1.007 966 N HN 0.248 nan 8.380 nan 0.000 0.423 967 A N 1.768 124.847 122.820 0.431 0.000 1.903 967 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 967 A C 2.219 179.920 177.584 0.196 0.000 1.191 967 A CA 1.753 54.018 52.037 0.380 0.000 0.638 967 A CB -0.807 18.494 19.000 0.501 0.000 0.823 967 A HN 0.391 nan 8.150 nan 0.000 0.451 968 Q N -1.330 118.554 119.800 0.140 0.000 1.948 968 Q HA -0.278 4.062 4.340 -0.000 0.000 0.205 968 Q C 2.440 178.455 176.000 0.024 0.000 0.992 968 Q CA 1.801 57.667 55.803 0.106 0.000 0.849 968 Q CB -0.335 28.471 28.738 0.113 0.000 0.918 968 Q HN 0.841 nan 8.270 nan 0.000 0.421 969 Q N 0.022 119.827 119.800 0.007 0.000 2.181 969 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 969 Q C 1.793 177.607 176.000 -0.309 0.000 0.980 969 Q CA 1.579 57.352 55.803 -0.050 0.000 0.862 969 Q CB 0.064 28.830 28.738 0.046 0.000 0.905 969 Q HN 0.330 nan 8.270 nan 0.000 0.429 970 T N -0.191 114.098 114.554 -0.442 0.000 2.833 970 T HA -0.114 4.236 4.350 -0.000 0.000 0.269 970 T C 0.341 174.288 174.700 -1.255 0.000 1.054 970 T CA 1.098 62.668 62.100 -0.884 0.000 1.135 970 T CB -0.082 67.994 68.868 -1.319 0.000 0.869 970 T HN 0.283 nan 8.240 nan 0.000 0.466 971 F N 0.237 119.843 119.950 -0.573 0.000 2.735 971 F HA 0.307 4.834 4.527 -0.000 0.000 0.304 971 F C 0.464 176.045 175.800 -0.364 0.000 1.119 971 F CA -0.852 56.858 58.000 -0.484 0.000 1.280 971 F CB -0.265 38.562 39.000 -0.289 0.000 0.994 971 F HN 0.153 nan 8.300 nan 0.000 0.520 972 H N -0.240 118.838 119.070 0.012 0.000 2.580 972 H HA -0.224 4.332 4.556 -0.000 0.000 0.316 972 H C 0.756 176.079 175.328 -0.010 0.000 1.073 972 H CA 0.431 56.474 56.048 -0.008 0.000 1.135 972 H CB -1.860 27.889 29.762 -0.021 0.000 1.437 972 H HN 0.375 nan 8.280 nan 0.000 0.404 973 I N 3.344 123.947 120.570 0.055 0.000 2.872 973 I HA -0.131 4.038 4.170 -0.000 0.000 0.287 973 I C 1.082 177.121 176.117 -0.129 0.000 1.197 973 I CA 0.762 62.067 61.300 0.008 0.000 1.390 973 I CB 0.163 38.188 38.000 0.041 0.000 1.400 973 I HN 0.241 nan 8.210 nan 0.000 0.544 974 D N 7.343 127.691 120.400 -0.086 0.000 2.277 974 D HA 0.019 4.659 4.640 -0.000 0.000 0.249 974 D C 0.692 176.938 176.300 -0.089 0.000 1.134 974 D CA -0.414 53.502 54.000 -0.139 0.000 0.863 974 D CB 0.909 41.688 40.800 -0.035 0.000 1.143 974 D HN 0.467 nan 8.370 nan 0.000 0.458 975 H N 1.894 120.999 119.070 0.057 0.000 2.563 975 H HA -0.021 4.535 4.556 -0.000 0.000 0.272 975 H C 1.196 176.543 175.328 0.032 0.000 1.005 975 H CA 0.736 56.812 56.048 0.047 0.000 1.171 975 H CB -0.234 29.558 29.762 0.050 0.000 1.351 975 H HN 0.545 nan 8.280 nan 0.000 0.602 976 T N -1.118 113.498 114.554 0.103 0.000 2.837 976 T HA 0.025 4.375 4.350 -0.000 0.000 0.248 976 T C 1.250 175.979 174.700 0.047 0.000 1.033 976 T CA 0.042 62.183 62.100 0.067 0.000 1.150 976 T CB 0.782 69.677 68.868 0.045 0.000 0.865 976 T HN 0.131 nan 8.240 nan 0.000 0.425 977 K N 2.137 122.559 120.400 0.036 0.000 2.143 977 K HA 0.233 4.553 4.320 -0.000 0.000 0.239 977 K C -2.371 174.245 176.600 0.027 0.000 1.048 977 K CA -1.313 54.990 56.287 0.026 0.000 0.867 977 K CB -0.118 32.394 32.500 0.019 0.000 1.088 977 K HN 0.234 nan 8.250 nan 0.000 0.510 978 P HA 0.085 nan 4.420 nan 0.000 0.290 978 P C -0.559 176.743 177.300 0.002 0.000 1.283 978 P CA -0.445 62.660 63.100 0.008 0.000 0.869 978 P CB 1.805 33.504 31.700 -0.001 0.000 1.100 979 S N 0.803 116.500 115.700 -0.004 0.000 2.632 979 S HA 0.096 4.566 4.470 -0.000 0.000 0.254 979 S C 0.441 175.024 174.600 -0.029 0.000 1.291 979 S CA 0.330 58.520 58.200 -0.016 0.000 0.974 979 S CB -0.308 62.874 63.200 -0.030 0.000 1.016 979 S HN 0.660 nan 8.310 nan 0.000 0.579 980 D N 0.271 120.644 120.400 -0.044 0.000 2.822 980 D HA 0.167 4.807 4.640 -0.000 0.000 0.327 980 D C -0.703 175.555 176.300 -0.070 0.000 1.577 980 D CA -0.185 53.788 54.000 -0.046 0.000 0.785 980 D CB -0.899 39.881 40.800 -0.034 0.000 1.199 980 D HN 0.301 nan 8.370 nan 0.000 0.443 981 L N 1.331 122.493 121.223 -0.101 0.000 2.275 981 L HA 0.333 4.673 4.340 -0.000 0.000 0.288 981 L C 0.463 177.252 176.870 -0.135 0.000 1.046 981 L CA -0.228 54.516 54.840 -0.159 0.000 0.805 981 L CB 1.627 43.531 42.059 -0.259 0.000 1.193 981 L HN -0.157 nan 8.230 nan 0.000 0.426 982 T N 3.179 117.660 114.554 -0.123 0.000 2.919 982 T HA 0.143 4.493 4.350 -0.000 0.000 0.302 982 T C 1.618 176.253 174.700 -0.109 0.000 1.031 982 T CA -0.301 61.744 62.100 -0.091 0.000 1.127 982 T CB 1.253 70.080 68.868 -0.068 0.000 0.952 982 T HN 0.467 nan 8.240 nan 0.000 0.540 983 I N 1.309 121.830 120.570 -0.081 0.000 2.530 983 I HA -0.158 4.012 4.170 -0.000 0.000 0.257 983 I C 2.414 178.490 176.117 -0.068 0.000 1.179 983 I CA 1.328 62.582 61.300 -0.077 0.000 1.440 983 I CB -0.099 37.870 38.000 -0.051 0.000 1.087 983 I HN 0.666 nan 8.210 nan 0.000 0.440 984 K N 0.420 120.785 120.400 -0.058 0.000 2.243 984 K HA -0.143 4.177 4.320 -0.000 0.000 0.201 984 K C 1.623 178.192 176.600 -0.051 0.000 1.051 984 K CA 0.801 57.064 56.287 -0.041 0.000 0.970 984 K CB 0.137 32.620 32.500 -0.029 0.000 0.755 984 K HN 0.147 nan 8.250 nan 0.000 0.465 985 D N 1.166 121.513 120.400 -0.088 0.000 2.095 985 D HA -0.196 4.444 4.640 -0.000 0.000 0.192 985 D C 1.831 178.041 176.300 -0.150 0.000 0.990 985 D CA 1.443 55.372 54.000 -0.118 0.000 0.836 985 D CB -0.238 40.445 40.800 -0.196 0.000 0.979 985 D HN 0.140 nan 8.370 nan 0.000 0.447 986 I N 0.448 120.838 120.570 -0.300 0.000 2.043 986 I HA -0.328 3.841 4.170 -0.000 0.000 0.231 986 I C 2.610 178.732 176.117 0.008 0.000 1.024 986 I CA 1.016 62.136 61.300 -0.301 0.000 1.309 986 I CB -0.747 37.089 38.000 -0.274 0.000 1.030 986 I HN -0.071 nan 8.210 nan 0.000 0.389 987 V N 1.142 121.053 119.914 -0.005 0.000 2.277 987 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 987 V C 2.290 178.412 176.094 0.046 0.000 1.067 987 V CA 2.095 64.415 62.300 0.032 0.000 1.047 987 V CB -0.548 31.283 31.823 0.013 0.000 0.649 987 V HN 0.385 nan 8.190 nan 0.000 0.447 988 L N -0.393 120.850 121.223 0.034 0.000 2.492 988 L HA 0.080 4.420 4.340 -0.000 0.000 0.223 988 L C 2.345 179.254 176.870 0.066 0.000 1.132 988 L CA 0.886 55.748 54.840 0.037 0.000 0.850 988 L CB -0.711 41.360 42.059 0.020 0.000 0.966 988 L HN 0.460 nan 8.230 nan 0.000 0.454 989 G N -0.409 108.464 108.800 0.122 0.000 2.408 989 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.213 989 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.213 989 G C 1.515 176.503 174.900 0.147 0.000 1.177 989 G CA 0.442 45.653 45.100 0.185 0.000 0.802 989 G HN 0.111 nan 8.290 nan 0.000 0.533 990 V N 0.964 120.989 119.914 0.186 0.000 2.407 990 V HA -0.123 3.997 4.120 -0.000 0.000 0.248 990 V C 2.620 178.739 176.094 0.042 0.000 1.055 990 V CA 2.140 64.502 62.300 0.103 0.000 1.049 990 V CB -0.395 31.509 31.823 0.135 0.000 0.662 990 V HN 0.377 nan 8.190 nan 0.000 0.455 991 K N -0.099 120.329 120.400 0.045 0.000 2.097 991 K HA -0.238 4.082 4.320 -0.000 0.000 0.206 991 K C 2.047 178.649 176.600 0.003 0.000 1.049 991 K CA 1.724 58.019 56.287 0.015 0.000 0.933 991 K CB -0.224 32.285 32.500 0.016 0.000 0.717 991 K HN 0.519 nan 8.250 nan 0.000 0.442 992 D N 0.293 120.702 120.400 0.015 0.000 2.194 992 D HA -0.127 4.513 4.640 -0.000 0.000 0.204 992 D C 1.992 178.282 176.300 -0.017 0.000 0.964 992 D CA 0.497 54.498 54.000 0.002 0.000 0.846 992 D CB 0.212 41.023 40.800 0.018 0.000 0.962 992 D HN 0.173 nan 8.370 nan 0.000 0.490 993 L N 1.488 122.699 121.223 -0.019 0.000 2.042 993 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 993 L C 2.303 179.128 176.870 -0.076 0.000 1.076 993 L CA 1.765 56.575 54.840 -0.050 0.000 0.749 993 L CB -0.786 41.239 42.059 -0.057 0.000 0.893 993 L HN 0.004 nan 8.230 nan 0.000 0.432 994 Q N -0.559 119.202 119.800 -0.065 0.000 2.152 994 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 994 Q C 1.941 177.886 176.000 -0.092 0.000 0.985 994 Q CA 1.625 57.379 55.803 -0.081 0.000 0.863 994 Q CB -0.365 28.338 28.738 -0.057 0.000 0.904 994 Q HN 0.555 nan 8.270 nan 0.000 0.422 995 E N 0.483 120.644 120.200 -0.065 0.000 2.331 995 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 995 E C 0.915 177.474 176.600 -0.069 0.000 1.008 995 E CA 0.759 57.125 56.400 -0.057 0.000 0.843 995 E CB -0.102 29.576 29.700 -0.038 0.000 0.761 995 E HN 0.420 nan 8.360 nan 0.000 0.507 996 N N -0.265 118.377 118.700 -0.097 0.000 2.184 996 N HA 0.067 4.807 4.740 -0.000 0.000 0.206 996 N C 0.396 175.804 175.510 -0.170 0.000 1.151 996 N CA -0.015 52.974 53.050 -0.101 0.000 0.878 996 N CB 0.757 39.198 38.487 -0.077 0.000 1.014 996 N HN 0.131 nan 8.380 nan 0.000 0.512 997 L N 2.005 123.036 121.223 -0.320 0.000 2.511 997 L HA 0.181 4.521 4.340 -0.000 0.000 0.239 997 L C -0.264 176.435 176.870 -0.285 0.000 1.400 997 L CA -0.217 54.172 54.840 -0.751 0.000 1.226 997 L CB -0.781 40.538 42.059 -1.233 0.000 1.475 997 L HN -0.143 nan 8.230 nan 0.000 0.428 998 L N 0.733 121.948 121.223 -0.014 0.000 2.416 998 L HA 0.065 4.405 4.340 -0.000 0.000 0.272 998 L C 0.948 177.945 176.870 0.213 0.000 1.161 998 L CA 0.622 55.516 54.840 0.090 0.000 0.845 998 L CB 1.419 43.502 42.059 0.040 0.000 1.119 998 L HN 0.101 nan 8.230 nan 0.000 0.464 999 V N 2.902 122.909 119.914 0.155 0.000 3.137 999 V HA 0.267 4.387 4.120 -0.000 0.000 0.236 999 V C 0.401 176.537 176.094 0.070 0.000 1.260 999 V CA 0.173 62.544 62.300 0.118 0.000 1.244 999 V CB 0.481 32.384 31.823 0.133 0.000 1.016 999 V HN 0.444 nan 8.190 nan 0.000 0.477 1000 L N -0.719 120.543 121.223 0.066 0.000 2.304 1000 L HA 0.560 4.900 4.340 -0.000 0.000 0.268 1000 L C 0.901 177.793 176.870 0.037 0.000 1.010 1000 L CA -0.339 54.533 54.840 0.054 0.000 0.813 1000 L CB 2.033 44.127 42.059 0.058 0.000 1.315 1000 L HN -0.034 nan 8.230 nan 0.000 0.445 1001 R N -0.186 120.332 120.500 0.030 0.000 2.562 1001 R HA 0.191 4.531 4.340 -0.000 0.000 0.191 1001 R C 0.573 176.880 176.300 0.013 0.000 0.835 1001 R CA 0.179 56.289 56.100 0.017 0.000 1.036 1001 R CB 0.355 30.659 30.300 0.008 0.000 1.437 1001 R HN 0.801 nan 8.270 nan 0.000 0.654 1002 G N 2.351 111.162 108.800 0.018 0.000 2.472 1002 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.232 1002 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.232 1002 G C -0.525 174.380 174.900 0.008 0.000 1.029 1002 G CA 0.215 45.324 45.100 0.014 0.000 0.882 1002 G HN 0.185 nan 8.290 nan 0.000 0.455 1003 K N 2.376 122.779 120.400 0.005 0.000 2.142 1003 K HA 0.213 4.533 4.320 -0.000 0.000 0.250 1003 K C 0.087 176.687 176.600 0.001 0.000 1.148 1003 K CA -0.114 56.174 56.287 0.001 0.000 1.040 1003 K CB -0.052 32.447 32.500 -0.001 0.000 1.569 1003 K HN 0.795 nan 8.250 nan 0.000 0.361 1004 N N -1.157 117.544 118.700 0.001 0.000 3.521 1004 N HA -0.013 4.727 4.740 -0.000 0.000 0.228 1004 N C -0.061 175.446 175.510 -0.004 0.000 1.328 1004 N CA -0.611 52.438 53.050 -0.001 0.000 0.907 1004 N CB 0.604 39.092 38.487 0.002 0.000 1.487 1004 N HN -0.170 nan 8.380 nan 0.000 0.503 1005 E N 0.749 120.944 120.200 -0.008 0.000 2.038 1005 E HA -0.004 4.346 4.350 -0.000 0.000 0.195 1005 E C 1.381 177.972 176.600 -0.016 0.000 1.000 1005 E CA 1.768 58.160 56.400 -0.013 0.000 0.803 1005 E CB -0.375 29.315 29.700 -0.016 0.000 0.750 1005 E HN 0.681 nan 8.360 nan 0.000 0.448 1006 I N 0.651 121.211 120.570 -0.016 0.000 2.151 1006 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 1006 I C 2.098 178.206 176.117 -0.016 0.000 1.080 1006 I CA 0.974 62.260 61.300 -0.024 0.000 1.339 1006 I CB -0.553 37.433 38.000 -0.022 0.000 1.039 1006 I HN 0.117 nan 8.210 nan 0.000 0.409 1007 I N 0.423 120.993 120.570 0.000 0.000 2.163 1007 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 1007 I C 2.696 178.818 176.117 0.008 0.000 1.081 1007 I CA 1.461 62.769 61.300 0.013 0.000 1.353 1007 I CB -1.501 36.513 38.000 0.022 0.000 1.054 1007 I HN 0.343 nan 8.210 nan 0.000 0.407 1008 Q N 0.884 120.684 119.800 0.000 0.000 2.135 1008 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 1008 Q C 2.004 177.998 176.000 -0.011 0.000 0.981 1008 Q CA 1.201 57.001 55.803 -0.004 0.000 0.856 1008 Q CB -0.555 28.178 28.738 -0.009 0.000 0.902 1008 Q HN 0.578 nan 8.270 nan 0.000 0.425 1009 N N 0.469 119.159 118.700 -0.018 0.000 2.058 1009 N HA -0.123 4.617 4.740 -0.000 0.000 0.191 1009 N C 1.760 177.256 175.510 -0.022 0.000 1.037 1009 N CA 1.364 54.397 53.050 -0.027 0.000 0.848 1009 N CB -0.187 38.279 38.487 -0.036 0.000 1.021 1009 N HN 0.224 nan 8.380 nan 0.000 0.422 1010 A N 1.468 124.278 122.820 -0.016 0.000 1.927 1010 A HA -0.286 4.034 4.320 -0.000 0.000 0.220 1010 A C 2.243 179.837 177.584 0.016 0.000 1.185 1010 A CA 2.195 54.230 52.037 -0.002 0.000 0.639 1010 A CB -0.845 18.164 19.000 0.014 0.000 0.820 1010 A HN 0.395 nan 8.150 nan 0.000 0.451 1011 Q N 0.032 119.843 119.800 0.019 0.000 2.002 1011 Q HA -0.212 4.128 4.340 -0.000 0.000 0.204 1011 Q C 2.173 178.185 176.000 0.020 0.000 0.988 1011 Q CA 2.469 58.290 55.803 0.029 0.000 0.843 1011 Q CB -0.527 28.224 28.738 0.022 0.000 0.908 1011 Q HN 0.609 nan 8.270 nan 0.000 0.420 1012 R N -0.134 120.363 120.500 -0.004 0.000 2.117 1012 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 1012 R C 1.556 177.841 176.300 -0.024 0.000 1.143 1012 R CA 1.861 57.949 56.100 -0.021 0.000 0.968 1012 R CB -0.255 30.021 30.300 -0.040 0.000 0.863 1012 R HN 0.499 nan 8.270 nan 0.000 0.444 1013 D N 0.031 120.420 120.400 -0.018 0.000 2.077 1013 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 1013 D C 1.793 178.101 176.300 0.013 0.000 0.986 1013 D CA 1.483 55.472 54.000 -0.018 0.000 0.829 1013 D CB -0.485 40.307 40.800 -0.014 0.000 0.983 1013 D HN 0.321 nan 8.370 nan 0.000 0.453 1014 A N 0.740 123.582 122.820 0.037 0.000 2.009 1014 A HA -0.188 4.132 4.320 -0.000 0.000 0.222 1014 A C 2.303 179.951 177.584 0.106 0.000 1.175 1014 A CA 1.632 53.710 52.037 0.068 0.000 0.651 1014 A CB -0.498 18.552 19.000 0.082 0.000 0.815 1014 A HN 0.219 nan 8.150 nan 0.000 0.459 1015 V N -1.127 118.850 119.914 0.104 0.000 3.621 1015 V HA -0.045 4.075 4.120 -0.000 0.000 0.285 1015 V C 2.145 178.315 176.094 0.126 0.000 1.346 1015 V CA 1.140 63.538 62.300 0.164 0.000 1.104 1015 V CB -0.550 31.349 31.823 0.127 0.000 0.913 1015 V HN 0.557 nan 8.190 nan 0.000 0.432 1016 T N 1.695 116.271 114.554 0.037 0.000 2.597 1016 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 1016 T C 1.910 176.611 174.700 0.001 0.000 1.053 1016 T CA 2.414 64.488 62.100 -0.044 0.000 1.165 1016 T CB -0.336 68.464 68.868 -0.113 0.000 0.863 1016 T HN 0.363 nan 8.240 nan 0.000 0.427 1017 L N 0.398 121.667 121.223 0.077 0.000 2.056 1017 L HA 0.104 4.444 4.340 -0.000 0.000 0.207 1017 L C 2.058 179.006 176.870 0.130 0.000 1.078 1017 L CA 1.491 56.393 54.840 0.103 0.000 0.749 1017 L CB -0.994 41.112 42.059 0.080 0.000 0.901 1017 L HN 0.234 nan 8.230 nan 0.000 0.433 1018 F N -0.006 119.986 119.950 0.070 0.000 2.095 1018 F HA -0.280 4.246 4.527 -0.000 0.000 0.298 1018 F C 2.520 178.352 175.800 0.053 0.000 1.104 1018 F CA 1.908 59.968 58.000 0.099 0.000 1.232 1018 F CB -0.948 38.161 39.000 0.181 0.000 0.987 1018 F HN 0.202 nan 8.300 nan 0.000 0.475 1019 C N -0.228 119.032 119.300 -0.067 0.000 2.413 1019 C HA -0.236 4.224 4.460 -0.000 0.000 0.277 1019 C C 3.084 177.955 174.990 -0.199 0.000 1.265 1019 C CA 1.027 59.931 59.018 -0.189 0.000 1.752 1019 C CB -1.937 25.760 27.740 -0.072 0.000 1.998 1019 C HN 0.717 nan 8.230 nan 0.000 0.489 1020 C N 0.154 119.383 119.300 -0.119 0.000 2.398 1020 C HA -0.162 4.298 4.460 -0.000 0.000 0.276 1020 C C 2.563 177.492 174.990 -0.101 0.000 1.222 1020 C CA 1.428 60.398 59.018 -0.080 0.000 1.746 1020 C CB -1.614 26.124 27.740 -0.005 0.000 2.039 1020 C HN 0.681 nan 8.230 nan 0.000 0.470 1021 L N 0.664 121.797 121.223 -0.151 0.000 1.970 1021 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 1021 L C 2.348 179.084 176.870 -0.223 0.000 1.071 1021 L CA 1.842 56.586 54.840 -0.161 0.000 0.751 1021 L CB -1.087 40.844 42.059 -0.214 0.000 0.889 1021 L HN 0.263 nan 8.230 nan 0.000 0.432 1022 L N 0.132 121.087 121.223 -0.446 0.000 1.991 1022 L HA -0.306 4.034 4.340 -0.000 0.000 0.221 1022 L C 2.761 179.562 176.870 -0.116 0.000 1.079 1022 L CA 2.221 56.859 54.840 -0.337 0.000 0.778 1022 L CB -0.737 41.077 42.059 -0.408 0.000 0.893 1022 L HN 0.328 nan 8.230 nan 0.000 0.437 1023 R N -1.308 119.136 120.500 -0.093 0.000 2.120 1023 R HA -0.137 4.203 4.340 -0.000 0.000 0.234 1023 R C 2.485 178.811 176.300 0.042 0.000 1.123 1023 R CA 1.248 57.339 56.100 -0.016 0.000 0.975 1023 R CB -0.644 29.632 30.300 -0.040 0.000 0.866 1023 R HN 0.497 nan 8.270 nan 0.000 0.446 1024 S N 0.339 116.052 115.700 0.022 0.000 2.400 1024 S HA -0.098 4.372 4.470 -0.000 0.000 0.232 1024 S C 1.647 176.396 174.600 0.247 0.000 1.025 1024 S CA 1.105 59.368 58.200 0.104 0.000 0.993 1024 S CB 0.097 63.335 63.200 0.062 0.000 0.808 1024 S HN 0.215 nan 8.310 nan 0.000 0.478 1025 R N 0.015 120.613 120.500 0.164 0.000 2.279 1025 R HA 0.355 4.695 4.340 -0.000 0.000 0.195 1025 R C 0.701 177.175 176.300 0.291 0.000 0.905 1025 R CA 0.208 56.450 56.100 0.236 0.000 1.044 1025 R CB -0.359 30.044 30.300 0.171 0.000 1.056 1025 R HN 0.395 nan 8.270 nan 0.000 0.535 1026 L N 1.550 122.891 121.223 0.197 0.000 3.108 1026 L HA 0.435 4.775 4.340 -0.000 0.000 0.251 1026 L C 0.090 177.065 176.870 0.175 0.000 1.315 1026 L CA -0.576 54.402 54.840 0.230 0.000 1.048 1026 L CB 0.612 42.778 42.059 0.178 0.000 1.432 1026 L HN -0.100 nan 8.230 nan 0.000 0.543 1027 A N -0.422 122.474 122.820 0.126 0.000 2.409 1027 A HA 0.336 4.655 4.320 -0.000 0.000 0.262 1027 A C 1.459 179.047 177.584 0.007 0.000 1.113 1027 A CA -0.146 51.950 52.037 0.099 0.000 0.790 1027 A CB 0.459 19.581 19.000 0.204 0.000 1.046 1027 A HN 0.393 nan 8.150 nan 0.000 0.496 1028 T N 1.921 116.484 114.554 0.015 0.000 2.653 1028 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 1028 T C 2.164 176.809 174.700 -0.092 0.000 1.037 1028 T CA 1.943 64.022 62.100 -0.035 0.000 1.159 1028 T CB -0.230 68.623 68.868 -0.025 0.000 0.859 1028 T HN 0.635 nan 8.240 nan 0.000 0.449 1029 R N 0.764 121.197 120.500 -0.113 0.000 2.080 1029 R HA 0.026 4.366 4.340 -0.000 0.000 0.236 1029 R C 2.648 178.788 176.300 -0.266 0.000 1.137 1029 R CA 1.537 57.530 56.100 -0.179 0.000 0.943 1029 R CB -0.485 29.688 30.300 -0.211 0.000 0.846 1029 R HN 0.423 nan 8.270 nan 0.000 0.431 1030 R N -0.371 119.911 120.500 -0.363 0.000 2.088 1030 R HA -0.108 4.232 4.340 -0.000 0.000 0.232 1030 R C 2.300 178.207 176.300 -0.655 0.000 1.136 1030 R CA 1.791 57.547 56.100 -0.573 0.000 0.926 1030 R CB -0.669 29.259 30.300 -0.620 0.000 0.837 1030 R HN 0.025 nan 8.270 nan 0.000 0.429 1031 V N 1.322 120.990 119.914 -0.409 0.000 2.418 1031 V HA -0.300 3.820 4.120 -0.000 0.000 0.258 1031 V C 2.101 178.157 176.094 -0.064 0.000 1.088 1031 V CA 1.888 64.129 62.300 -0.098 0.000 1.091 1031 V CB -0.464 31.428 31.823 0.114 0.000 0.669 1031 V HN 0.326 nan 8.190 nan 0.000 0.461 1032 L N -1.770 119.376 121.223 -0.128 0.000 2.362 1032 L HA 0.049 4.389 4.340 -0.000 0.000 0.204 1032 L C 2.400 179.219 176.870 -0.084 0.000 1.060 1032 L CA 0.817 55.611 54.840 -0.077 0.000 0.827 1032 L CB -0.316 41.694 42.059 -0.082 0.000 1.027 1032 L HN 0.235 nan 8.230 nan 0.000 0.474 1033 Q N 0.513 120.225 119.800 -0.146 0.000 2.033 1033 Q HA -0.134 4.206 4.340 -0.000 0.000 0.196 1033 Q C 1.914 177.821 176.000 -0.153 0.000 0.970 1033 Q CA 1.553 57.272 55.803 -0.140 0.000 0.828 1033 Q CB 0.270 28.905 28.738 -0.172 0.000 0.895 1033 Q HN 0.391 nan 8.270 nan 0.000 0.440 1034 E N -0.954 119.100 120.200 -0.244 0.000 2.022 1034 E HA -0.099 4.251 4.350 -0.000 0.000 0.190 1034 E C 2.034 178.612 176.600 -0.037 0.000 0.973 1034 E CA 1.026 57.294 56.400 -0.220 0.000 0.816 1034 E CB -0.260 29.211 29.700 -0.381 0.000 0.781 1034 E HN 0.469 nan 8.360 nan 0.000 0.456 1035 Y N -0.164 120.137 120.300 0.002 0.000 2.242 1035 Y HA 0.011 4.561 4.550 -0.000 0.000 0.291 1035 Y C 0.884 176.863 175.900 0.131 0.000 1.137 1035 Y CA -0.208 57.932 58.100 0.068 0.000 1.181 1035 Y CB 0.270 38.783 38.460 0.089 0.000 0.989 1035 Y HN -0.088 nan 8.280 nan 0.000 0.527 1036 R N 0.061 120.691 120.500 0.218 0.000 3.776 1036 R HA -0.169 4.171 4.340 -0.000 0.000 0.312 1036 R C -0.628 175.782 176.300 0.184 0.000 1.181 1036 R CA 0.313 56.532 56.100 0.199 0.000 0.836 1036 R CB -2.301 28.212 30.300 0.355 0.000 1.324 1036 R HN 0.355 nan 8.270 nan 0.000 0.501 1037 L N 0.955 122.303 121.223 0.209 0.000 2.483 1037 L HA 0.086 4.426 4.340 -0.000 0.000 0.276 1037 L C 1.772 178.692 176.870 0.084 0.000 1.213 1037 L CA 0.869 55.814 54.840 0.175 0.000 0.843 1037 L CB 0.291 42.521 42.059 0.285 0.000 1.107 1037 L HN 0.220 nan 8.230 nan 0.000 0.487 1038 T N -1.176 113.394 114.554 0.025 0.000 2.884 1038 T HA 0.194 4.544 4.350 -0.000 0.000 0.277 1038 T C 0.813 175.500 174.700 -0.022 0.000 0.976 1038 T CA -0.726 61.360 62.100 -0.024 0.000 0.956 1038 T CB 1.562 70.390 68.868 -0.067 0.000 1.113 1038 T HN 0.590 nan 8.240 nan 0.000 0.554 1039 K N -0.045 120.329 120.400 -0.044 0.000 2.147 1039 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 1039 K C 2.274 178.879 176.600 0.008 0.000 1.049 1039 K CA 1.733 58.007 56.287 -0.021 0.000 0.936 1039 K CB -0.437 32.041 32.500 -0.037 0.000 0.722 1039 K HN 0.736 nan 8.250 nan 0.000 0.446 1040 Q N -0.409 119.325 119.800 -0.109 0.000 1.969 1040 Q HA -0.056 4.284 4.340 -0.000 0.000 0.198 1040 Q C 2.016 177.801 176.000 -0.358 0.000 0.978 1040 Q CA 1.472 57.139 55.803 -0.227 0.000 0.830 1040 Q CB -0.390 28.132 28.738 -0.359 0.000 0.896 1040 Q HN 0.375 nan 8.270 nan 0.000 0.431 1041 A N 0.524 122.971 122.820 -0.623 0.000 1.940 1041 A HA -0.260 4.060 4.320 -0.000 0.000 0.221 1041 A C 1.898 179.503 177.584 0.035 0.000 1.190 1041 A CA 1.779 53.508 52.037 -0.512 0.000 0.647 1041 A CB -1.170 17.673 19.000 -0.263 0.000 0.821 1041 A HN 0.631 nan 8.150 nan 0.000 0.457 1042 F N 1.206 121.126 119.950 -0.050 0.000 2.051 1042 F HA -0.187 4.340 4.527 -0.000 0.000 0.296 1042 F C 1.932 177.771 175.800 0.065 0.000 1.122 1042 F CA 2.270 60.292 58.000 0.038 0.000 1.201 1042 F CB -0.257 38.755 39.000 0.019 0.000 0.978 1042 F HN 0.271 nan 8.300 nan 0.000 0.472 1043 D N -0.865 119.671 120.400 0.227 0.000 2.271 1043 D HA -0.255 4.385 4.640 -0.000 0.000 0.207 1043 D C 1.789 178.146 176.300 0.094 0.000 0.983 1043 D CA 1.272 55.348 54.000 0.126 0.000 0.878 1043 D CB -0.690 40.197 40.800 0.146 0.000 0.920 1043 D HN 0.512 nan 8.370 nan 0.000 0.479 1044 W N 1.468 122.729 121.300 -0.065 0.000 2.408 1044 W HA -0.142 4.518 4.660 -0.000 0.000 0.311 1044 W C 2.208 178.702 176.519 -0.042 0.000 1.190 1044 W CA 0.812 58.154 57.345 -0.005 0.000 1.321 1044 W CB -0.428 29.087 29.460 0.092 0.000 1.143 1044 W HN -0.261 nan 8.180 nan 0.000 0.501 1045 V N 1.309 121.263 119.914 0.068 0.000 2.392 1045 V HA -0.336 3.784 4.120 -0.000 0.000 0.249 1045 V C 2.302 178.240 176.094 -0.261 0.000 1.059 1045 V CA 1.898 64.113 62.300 -0.142 0.000 1.051 1045 V CB -1.130 30.632 31.823 -0.101 0.000 0.658 1045 V HN 0.235 nan 8.190 nan 0.000 0.455 1046 L N -0.049 120.991 121.223 -0.305 0.000 2.093 1046 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 1046 L C 2.750 179.509 176.870 -0.185 0.000 1.085 1046 L CA 1.795 56.472 54.840 -0.271 0.000 0.755 1046 L CB -0.606 41.276 42.059 -0.295 0.000 0.904 1046 L HN 0.458 nan 8.230 nan 0.000 0.435 1047 S N 0.314 115.905 115.700 -0.181 0.000 2.356 1047 S HA -0.204 4.266 4.470 -0.000 0.000 0.223 1047 S C 1.636 176.108 174.600 -0.213 0.000 1.032 1047 S CA 1.879 59.981 58.200 -0.164 0.000 1.005 1047 S CB -0.345 62.773 63.200 -0.137 0.000 0.867 1047 S HN 0.498 nan 8.310 nan 0.000 0.449 1048 N N 0.790 119.276 118.700 -0.357 0.000 2.084 1048 N HA -0.016 4.724 4.740 -0.000 0.000 0.190 1048 N C 1.890 177.288 175.510 -0.185 0.000 1.030 1048 N CA 1.560 54.403 53.050 -0.344 0.000 0.849 1048 N CB -0.333 37.806 38.487 -0.579 0.000 1.012 1048 N HN 0.374 nan 8.380 nan 0.000 0.423 1049 I N 1.498 121.974 120.570 -0.157 0.000 2.248 1049 I HA -0.318 3.851 4.170 -0.000 0.000 0.248 1049 I C 2.663 178.782 176.117 0.004 0.000 1.107 1049 I CA 1.320 62.601 61.300 -0.032 0.000 1.373 1049 I CB -0.256 37.737 38.000 -0.013 0.000 1.055 1049 I HN 0.315 nan 8.210 nan 0.000 0.418 1050 E N 1.090 121.258 120.200 -0.053 0.000 2.006 1050 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 1050 E C 2.265 178.870 176.600 0.009 0.000 0.993 1050 E CA 1.406 57.782 56.400 -0.040 0.000 0.808 1050 E CB -0.108 29.553 29.700 -0.066 0.000 0.764 1050 E HN 0.429 nan 8.360 nan 0.000 0.449 1051 A N 1.000 123.799 122.820 -0.035 0.000 1.849 1051 A HA -0.323 3.997 4.320 -0.000 0.000 0.217 1051 A C 2.170 179.740 177.584 -0.022 0.000 1.202 1051 A CA 2.168 54.185 52.037 -0.033 0.000 0.629 1051 A CB -1.092 17.870 19.000 -0.064 0.000 0.834 1051 A HN 0.456 nan 8.150 nan 0.000 0.447 1052 Q N -2.051 117.727 119.800 -0.036 0.000 2.242 1052 Q HA -0.260 4.080 4.340 -0.000 0.000 0.211 1052 Q C 1.821 177.795 176.000 -0.043 0.000 0.992 1052 Q CA 2.015 57.796 55.803 -0.036 0.000 0.889 1052 Q CB -0.354 28.370 28.738 -0.024 0.000 0.913 1052 Q HN 0.762 nan 8.270 nan 0.000 0.422 1053 F N 0.502 120.354 119.950 -0.163 0.000 2.022 1053 F HA -0.189 4.338 4.527 -0.000 0.000 0.293 1053 F C 1.806 177.484 175.800 -0.204 0.000 1.142 1053 F CA 1.275 59.135 58.000 -0.234 0.000 1.177 1053 F CB -0.285 38.555 39.000 -0.267 0.000 0.982 1053 F HN -0.058 nan 8.300 nan 0.000 0.473 1054 L N 0.500 121.801 121.223 0.130 0.000 2.211 1054 L HA -0.287 4.053 4.340 -0.000 0.000 0.216 1054 L C 2.466 179.233 176.870 -0.172 0.000 1.092 1054 L CA 1.553 56.391 54.840 -0.003 0.000 0.767 1054 L CB -0.764 41.310 42.059 0.025 0.000 0.894 1054 L HN 0.143 nan 8.230 nan 0.000 0.437 1055 R N -1.046 119.335 120.500 -0.199 0.000 2.153 1055 R HA 0.009 4.349 4.340 -0.000 0.000 0.218 1055 R C 2.134 178.114 176.300 -0.534 0.000 1.072 1055 R CA 1.068 56.999 56.100 -0.282 0.000 0.990 1055 R CB -0.183 29.981 30.300 -0.227 0.000 0.889 1055 R HN 0.286 nan 8.270 nan 0.000 0.452 1056 S N 0.524 115.909 115.700 -0.525 0.000 2.603 1056 S HA 0.053 4.523 4.470 -0.000 0.000 0.220 1056 S C 0.741 175.133 174.600 -0.346 0.000 0.967 1056 S CA 0.020 57.915 58.200 -0.508 0.000 0.920 1056 S CB 0.211 63.199 63.200 -0.353 0.000 0.773 1056 S HN -0.046 nan 8.310 nan 0.000 0.529 1057 V N 2.199 121.897 119.914 -0.359 0.000 2.881 1057 V HA 0.136 4.256 4.120 -0.000 0.000 0.303 1057 V C 0.649 176.679 176.094 -0.106 0.000 1.070 1057 V CA -0.531 61.623 62.300 -0.242 0.000 1.074 1057 V CB 1.169 32.852 31.823 -0.234 0.000 1.012 1057 V HN 0.066 nan 8.190 nan 0.000 0.482 1058 V N 4.235 124.140 119.914 -0.016 0.000 2.655 1058 V HA 0.048 4.168 4.120 -0.000 0.000 0.300 1058 V C 0.497 176.591 176.094 -0.001 0.000 1.044 1058 V CA -0.154 62.172 62.300 0.044 0.000 1.095 1058 V CB 0.066 31.908 31.823 0.031 0.000 0.952 1058 V HN 0.758 nan 8.190 nan 0.000 0.485 1059 H N 5.532 124.572 119.070 -0.049 0.000 2.723 1059 H HA 0.197 4.753 4.556 -0.000 0.000 0.294 1059 H C -2.251 173.047 175.328 -0.050 0.000 1.079 1059 H CA -1.827 54.207 56.048 -0.023 0.000 1.411 1059 H CB 1.056 30.810 29.762 -0.014 0.000 1.439 1059 H HN 0.466 nan 8.280 nan 0.000 0.474 1060 P HA -0.032 nan 4.420 nan 0.000 0.262 1060 P C 0.910 178.092 177.300 -0.196 0.000 1.199 1060 P CA 0.980 64.026 63.100 -0.091 0.000 0.763 1060 P CB 0.665 32.373 31.700 0.013 0.000 0.790 1061 G N 2.477 111.126 108.800 -0.252 0.000 3.288 1061 G HA2 -0.150 3.809 3.960 -0.000 0.000 0.195 1061 G HA3 -0.150 3.809 3.960 -0.000 0.000 0.195 1061 G C -0.079 174.711 174.900 -0.184 0.000 1.093 1061 G CA -0.554 44.412 45.100 -0.223 0.000 0.852 1061 G HN 0.444 nan 8.290 nan 0.000 0.453 1062 E N 2.004 122.117 120.200 -0.146 0.000 3.025 1062 E HA -0.010 4.340 4.350 -0.000 0.000 0.248 1062 E C 0.691 177.179 176.600 -0.186 0.000 0.938 1062 E CA 0.494 56.797 56.400 -0.162 0.000 0.958 1062 E CB 0.152 29.729 29.700 -0.205 0.000 0.898 1062 E HN 0.270 nan 8.360 nan 0.000 0.537 1063 M N 4.619 124.130 119.600 -0.149 0.000 3.759 1063 M HA -0.022 4.458 4.480 -0.000 0.000 0.190 1063 M C 1.362 177.594 176.300 -0.115 0.000 1.478 1063 M CA -0.160 55.061 55.300 -0.131 0.000 1.691 1063 M CB -0.922 31.612 32.600 -0.111 0.000 1.113 1063 M HN 0.247 nan 8.290 nan 0.000 0.542 1064 V N 1.042 120.868 119.914 -0.146 0.000 2.363 1064 V HA -0.314 3.806 4.120 -0.000 0.000 0.254 1064 V C 2.284 178.382 176.094 0.007 0.000 1.074 1064 V CA 2.516 64.758 62.300 -0.096 0.000 1.069 1064 V CB -1.145 30.561 31.823 -0.194 0.000 0.659 1064 V HN 0.773 nan 8.190 nan 0.000 0.455 1065 G N -0.454 108.329 108.800 -0.028 0.000 2.552 1065 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.216 1065 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.216 1065 G C 1.644 176.506 174.900 -0.064 0.000 1.240 1065 G CA 1.277 46.355 45.100 -0.037 0.000 0.796 1065 G HN 0.373 nan 8.290 nan 0.000 0.568 1066 V N 1.049 120.912 119.914 -0.084 0.000 2.324 1066 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 1066 V C 2.727 178.760 176.094 -0.100 0.000 1.060 1066 V CA 1.852 64.093 62.300 -0.098 0.000 1.042 1066 V CB -0.725 31.043 31.823 -0.091 0.000 0.650 1066 V HN 0.352 nan 8.190 nan 0.000 0.450 1067 L N 1.120 122.293 121.223 -0.085 0.000 1.955 1067 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 1067 L C 2.534 179.292 176.870 -0.187 0.000 1.072 1067 L CA 2.611 57.386 54.840 -0.108 0.000 0.755 1067 L CB -1.339 40.694 42.059 -0.044 0.000 0.888 1067 L HN 0.229 nan 8.230 nan 0.000 0.432 1068 A N -0.398 122.377 122.820 -0.075 0.000 1.903 1068 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 1068 A C 2.457 179.943 177.584 -0.162 0.000 1.191 1068 A CA 2.786 54.781 52.037 -0.071 0.000 0.638 1068 A CB -1.458 17.624 19.000 0.137 0.000 0.823 1068 A HN 0.718 nan 8.150 nan 0.000 0.451 1069 A N -0.618 122.121 122.820 -0.134 0.000 1.849 1069 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 1069 A C 2.111 179.598 177.584 -0.162 0.000 1.202 1069 A CA 1.969 53.915 52.037 -0.151 0.000 0.629 1069 A CB -0.924 17.983 19.000 -0.156 0.000 0.834 1069 A HN 0.677 nan 8.150 nan 0.000 0.447 1070 Q N -0.266 119.440 119.800 -0.156 0.000 2.135 1070 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 1070 Q C 2.335 178.235 176.000 -0.166 0.000 0.981 1070 Q CA 1.672 57.391 55.803 -0.141 0.000 0.856 1070 Q CB -0.327 28.353 28.738 -0.097 0.000 0.902 1070 Q HN 0.633 nan 8.270 nan 0.000 0.425 1071 S N 0.435 115.978 115.700 -0.262 0.000 2.442 1071 S HA -0.086 4.384 4.470 -0.000 0.000 0.236 1071 S C 1.809 176.280 174.600 -0.215 0.000 1.007 1071 S CA 0.886 58.889 58.200 -0.328 0.000 0.965 1071 S CB -0.052 62.657 63.200 -0.817 0.000 0.773 1071 S HN 0.300 nan 8.310 nan 0.000 0.504 1072 I N 0.517 120.978 120.570 -0.181 0.000 2.512 1072 I HA 0.072 4.242 4.170 -0.000 0.000 0.247 1072 I C 2.730 178.772 176.117 -0.125 0.000 1.094 1072 I CA 0.723 61.939 61.300 -0.139 0.000 1.427 1072 I CB -0.950 36.973 38.000 -0.128 0.000 1.149 1072 I HN 0.320 nan 8.210 nan 0.000 0.438 1073 G N 0.702 109.425 108.800 -0.129 0.000 2.491 1073 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.218 1073 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.218 1073 G C 1.521 176.348 174.900 -0.121 0.000 1.180 1073 G CA 0.792 45.822 45.100 -0.117 0.000 0.774 1073 G HN 0.293 nan 8.290 nan 0.000 0.562 1074 E N 0.991 121.103 120.200 -0.147 0.000 2.068 1074 E HA -0.167 4.183 4.350 -0.000 0.000 0.207 1074 E C 0.400 176.920 176.600 -0.134 0.000 1.032 1074 E CA 2.033 58.322 56.400 -0.185 0.000 0.839 1074 E CB -0.954 28.607 29.700 -0.231 0.000 0.758 1074 E HN 0.373 nan 8.360 nan 0.000 0.457 1075 P HA -0.072 nan 4.420 nan 0.000 0.221 1075 P C 1.056 178.315 177.300 -0.069 0.000 1.150 1075 P CA 1.637 64.689 63.100 -0.080 0.000 0.800 1075 P CB -0.120 31.533 31.700 -0.078 0.000 0.787 1076 A N -0.123 122.653 122.820 -0.074 0.000 2.015 1076 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 1076 A C 2.271 179.825 177.584 -0.050 0.000 1.163 1076 A CA 1.807 53.810 52.037 -0.057 0.000 0.646 1076 A CB -1.739 17.226 19.000 -0.058 0.000 0.806 1076 A HN 0.154 nan 8.150 nan 0.000 0.448 1077 T N 0.563 115.078 114.554 -0.065 0.000 2.746 1077 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 1077 T C 1.553 176.223 174.700 -0.050 0.000 1.039 1077 T CA 1.458 63.522 62.100 -0.060 0.000 1.142 1077 T CB -0.197 68.621 68.868 -0.085 0.000 0.866 1077 T HN 0.549 nan 8.240 nan 0.000 0.444 1078 Q N 0.523 120.291 119.800 -0.053 0.000 2.373 1078 Q HA 0.215 4.555 4.340 -0.000 0.000 0.206 1078 Q C 0.280 176.263 176.000 -0.027 0.000 0.942 1078 Q CA 0.140 55.919 55.803 -0.040 0.000 0.953 1078 Q CB -0.420 28.293 28.738 -0.041 0.000 1.022 1078 Q HN 0.553 nan 8.270 nan 0.000 0.502 1079 M N 1.745 121.330 119.600 -0.026 0.000 3.011 1079 M HA 0.071 4.551 4.480 -0.000 0.000 0.292 1079 M C -0.247 176.047 176.300 -0.010 0.000 1.440 1079 M CA 0.271 55.561 55.300 -0.016 0.000 1.552 1079 M CB -0.108 32.482 32.600 -0.016 0.000 1.187 1079 M HN -0.184 nan 8.290 nan 0.000 0.520 1080 T N 4.172 118.721 114.554 -0.008 0.000 3.781 1080 T HA 0.334 4.684 4.350 -0.000 0.000 0.286 1080 T C 0.658 175.358 174.700 0.001 0.000 1.277 1080 T CA -0.023 62.075 62.100 -0.004 0.000 1.136 1080 T CB -0.537 68.329 68.868 -0.003 0.000 1.202 1080 T HN 0.448 nan 8.240 nan 0.000 0.884 1093 K N 2.021 122.432 120.400 0.018 0.000 2.363 1093 K HA 0.291 4.610 4.320 -0.000 0.000 0.240 1093 K C -0.509 176.098 176.600 0.012 0.000 1.169 1093 K CA -0.266 56.027 56.287 0.010 0.000 1.131 1093 K CB 0.970 33.471 32.500 0.002 0.000 1.771 1093 K HN -0.121 nan 8.250 nan 0.000 0.380 1094 V N 0.656 120.580 119.914 0.017 0.000 2.709 1094 V HA 0.157 4.277 4.120 -0.000 0.000 0.308 1094 V C 0.304 176.411 176.094 0.020 0.000 1.062 1094 V CA -1.318 60.993 62.300 0.018 0.000 0.901 1094 V CB 1.842 33.681 31.823 0.026 0.000 1.003 1094 V HN 0.685 nan 8.190 nan 0.000 0.425 1095 T N 1.255 115.819 114.554 0.018 0.000 2.609 1095 T HA 0.196 4.546 4.350 -0.000 0.000 0.257 1095 T C 0.259 174.977 174.700 0.030 0.000 1.032 1095 T CA 0.313 62.426 62.100 0.021 0.000 1.244 1095 T CB -0.462 68.419 68.868 0.021 0.000 1.003 1095 T HN 1.106 nan 8.240 nan 0.000 0.507 1096 S N 1.983 117.700 115.700 0.027 0.000 2.538 1096 S HA 0.890 5.360 4.470 -0.000 0.000 0.288 1096 S C 0.309 174.923 174.600 0.024 0.000 1.108 1096 S CA -0.257 57.961 58.200 0.031 0.000 0.971 1096 S CB 1.917 65.137 63.200 0.033 0.000 1.041 1096 S HN 2.038 nan 8.310 nan 0.000 0.483 1097 G N 1.153 109.968 108.800 0.024 0.000 2.500 1097 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.209 1097 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.209 1097 G C 0.350 175.258 174.900 0.013 0.000 1.283 1097 G CA -0.292 44.817 45.100 0.015 0.000 0.960 1097 G HN 1.499 nan 8.290 nan 0.000 0.528 1098 V N 2.380 122.298 119.914 0.007 0.000 2.252 1098 V HA -0.210 3.910 4.120 -0.000 0.000 0.255 1098 V C 0.913 177.018 176.094 0.019 0.000 1.071 1098 V CA 3.392 65.697 62.300 0.009 0.000 1.050 1098 V CB -1.619 30.208 31.823 0.007 0.000 0.654 1098 V HN 0.789 nan 8.190 nan 0.000 0.448 1099 P HA -0.202 nan 4.420 nan 0.000 0.217 1099 P C 1.581 178.901 177.300 0.034 0.000 1.150 1099 P CA 1.717 64.834 63.100 0.027 0.000 0.832 1099 P CB -0.069 31.644 31.700 0.022 0.000 0.787 1100 R N 0.374 120.895 120.500 0.034 0.000 2.066 1100 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 1100 R C 2.339 178.670 176.300 0.052 0.000 1.131 1100 R CA 1.030 57.158 56.100 0.046 0.000 0.955 1100 R CB -1.911 28.417 30.300 0.047 0.000 0.851 1100 R HN 0.082 nan 8.270 nan 0.000 0.432 1101 L N 1.160 122.403 121.223 0.034 0.000 2.079 1101 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 1101 L C 2.160 179.049 176.870 0.030 0.000 1.081 1101 L CA 2.112 56.965 54.840 0.021 0.000 0.752 1101 L CB -0.673 41.384 42.059 -0.003 0.000 0.896 1101 L HN 0.296 nan 8.230 nan 0.000 0.433 1102 K N -0.492 119.930 120.400 0.036 0.000 2.002 1102 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 1102 K C 2.138 178.777 176.600 0.065 0.000 1.048 1102 K CA 1.845 58.160 56.287 0.046 0.000 0.930 1102 K CB -0.275 32.257 32.500 0.052 0.000 0.714 1102 K HN 0.484 nan 8.250 nan 0.000 0.438 1103 E N 0.518 120.759 120.200 0.069 0.000 2.048 1103 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 1103 E C 2.002 178.679 176.600 0.129 0.000 1.021 1103 E CA 2.129 58.579 56.400 0.083 0.000 0.825 1103 E CB -0.147 29.596 29.700 0.072 0.000 0.756 1103 E HN 0.350 nan 8.360 nan 0.000 0.454 1104 I N 0.673 121.335 120.570 0.153 0.000 2.099 1104 I HA -0.333 3.837 4.170 -0.000 0.000 0.239 1104 I C 2.505 178.730 176.117 0.180 0.000 1.066 1104 I CA 1.169 62.605 61.300 0.227 0.000 1.324 1104 I CB -0.444 37.632 38.000 0.127 0.000 1.037 1104 I HN 0.214 nan 8.210 nan 0.000 0.401 1105 L N 0.682 121.955 121.223 0.084 0.000 2.261 1105 L HA -0.216 4.124 4.340 -0.000 0.000 0.216 1105 L C 1.916 178.848 176.870 0.103 0.000 1.114 1105 L CA 1.049 55.923 54.840 0.057 0.000 0.777 1105 L CB -0.731 41.329 42.059 0.001 0.000 0.910 1105 L HN 0.392 nan 8.230 nan 0.000 0.440 1106 N N -0.551 118.222 118.700 0.122 0.000 2.422 1106 N HA 0.008 4.748 4.740 -0.000 0.000 0.181 1106 N C 0.619 176.218 175.510 0.149 0.000 1.080 1106 N CA 0.290 53.419 53.050 0.132 0.000 0.893 1106 N CB 0.695 39.250 38.487 0.112 0.000 0.973 1106 N HN -0.016 nan 8.380 nan 0.000 0.456 1107 V N 0.931 120.965 119.914 0.200 0.000 5.961 1107 V HA -0.271 3.849 4.120 -0.000 0.000 0.311 1107 V C 0.424 176.556 176.094 0.063 0.000 0.552 1107 V CA 0.378 62.796 62.300 0.195 0.000 0.641 1107 V CB -2.515 29.421 31.823 0.188 0.000 0.286 1107 V HN 0.409 nan 8.190 nan 0.000 0.939 1108 A N 1.146 123.995 122.820 0.049 0.000 2.476 1108 A HA 0.421 4.741 4.320 -0.000 0.000 0.275 1108 A C 1.238 178.790 177.584 -0.054 0.000 1.133 1108 A CA 0.721 52.764 52.037 0.010 0.000 0.797 1108 A CB 0.545 19.561 19.000 0.026 0.000 1.081 1108 A HN 0.630 nan 8.150 nan 0.000 0.510 1109 K N 2.833 123.205 120.400 -0.046 0.000 2.002 1109 K HA -0.121 4.199 4.320 -0.000 0.000 0.209 1109 K C 0.597 177.155 176.600 -0.070 0.000 1.048 1109 K CA 2.089 58.334 56.287 -0.071 0.000 0.930 1109 K CB -0.195 32.275 32.500 -0.049 0.000 0.714 1109 K HN 0.805 nan 8.250 nan 0.000 0.438 1110 N N 1.990 120.664 118.700 -0.044 0.000 3.052 1110 N HA 0.097 4.837 4.740 -0.000 0.000 0.302 1110 N C -0.462 175.028 175.510 -0.034 0.000 1.332 1110 N CA -0.291 52.735 53.050 -0.040 0.000 1.129 1110 N CB -0.074 38.397 38.487 -0.027 0.000 1.436 1110 N HN 0.321 nan 8.380 nan 0.000 0.536 1111 M N -1.167 118.406 119.600 -0.046 0.000 2.235 1111 M HA 0.005 4.485 4.480 -0.000 0.000 0.316 1111 M C 0.714 177.001 176.300 -0.023 0.000 1.035 1111 M CA 0.434 55.716 55.300 -0.030 0.000 1.084 1111 M CB 0.758 33.332 32.600 -0.043 0.000 1.529 1111 M HN 0.033 nan 8.290 nan 0.000 0.440 1112 K N 1.138 121.532 120.400 -0.010 0.000 2.057 1112 K HA 0.063 4.383 4.320 -0.000 0.000 0.197 1112 K C 0.256 176.847 176.600 -0.014 0.000 1.055 1112 K CA 0.935 57.217 56.287 -0.009 0.000 1.028 1112 K CB -0.638 31.861 32.500 -0.001 0.000 1.289 1112 K HN 0.772 nan 8.250 nan 0.000 0.462 1113 T N 4.520 119.069 114.554 -0.008 0.000 2.704 1113 T HA 0.009 4.359 4.350 -0.000 0.000 0.271 1113 T C -2.130 172.559 174.700 -0.019 0.000 1.000 1113 T CA -0.349 61.745 62.100 -0.010 0.000 1.216 1113 T CB 0.113 68.980 68.868 -0.001 0.000 0.961 1113 T HN 0.304 nan 8.240 nan 0.000 0.515 1114 P HA 0.302 nan 4.420 nan 0.000 0.239 1114 P C 0.094 177.365 177.300 -0.049 0.000 1.807 1114 P CA -0.434 62.639 63.100 -0.045 0.000 1.132 1114 P CB 0.589 32.257 31.700 -0.053 0.000 1.903 1115 S N 2.038 117.714 115.700 -0.039 0.000 2.658 1115 S HA 0.384 4.854 4.470 -0.000 0.000 0.249 1115 S C 0.012 174.574 174.600 -0.063 0.000 1.363 1115 S CA 0.281 58.459 58.200 -0.036 0.000 0.964 1115 S CB -0.086 63.105 63.200 -0.014 0.000 0.973 1115 S HN 0.389 nan 8.310 nan 0.000 0.588 1116 L N 0.528 121.721 121.223 -0.049 0.000 2.751 1116 L HA 0.476 4.816 4.340 -0.000 0.000 0.261 1116 L C -0.922 175.934 176.870 -0.023 0.000 0.927 1116 L CA -0.175 54.628 54.840 -0.061 0.000 0.968 1116 L CB 1.157 43.188 42.059 -0.047 0.000 1.432 1116 L HN 0.508 nan 8.230 nan 0.000 0.439 1117 T N 4.388 118.944 114.554 0.003 0.000 2.744 1117 T HA 0.685 5.035 4.350 -0.000 0.000 0.291 1117 T C -0.217 174.449 174.700 -0.057 0.000 0.957 1117 T CA -0.103 61.984 62.100 -0.023 0.000 1.002 1117 T CB 1.010 69.911 68.868 0.055 0.000 0.919 1117 T HN 0.797 nan 8.240 nan 0.000 0.468 1118 V N 2.416 122.243 119.914 -0.145 0.000 2.417 1118 V HA 0.634 4.754 4.120 -0.000 0.000 0.291 1118 V C -1.221 174.754 176.094 -0.197 0.000 1.024 1118 V CA -1.178 61.081 62.300 -0.068 0.000 0.861 1118 V CB 0.467 32.289 31.823 -0.002 0.000 0.985 1118 V HN 0.702 nan 8.190 nan 0.000 0.436 1119 Y N 4.686 125.038 120.300 0.087 0.000 2.342 1119 Y HA 0.667 5.217 4.550 -0.000 0.000 0.334 1119 Y C 0.615 176.551 175.900 0.061 0.000 1.067 1119 Y CA -1.094 57.053 58.100 0.077 0.000 1.128 1119 Y CB 1.461 39.974 38.460 0.088 0.000 1.200 1119 Y HN 0.846 nan 8.280 nan 0.000 0.464 1120 L N -0.454 120.879 121.223 0.183 0.000 2.257 1120 L HA 0.145 4.485 4.340 -0.000 0.000 0.208 1120 L C 0.274 177.198 176.870 0.090 0.000 1.157 1120 L CA -0.370 54.550 54.840 0.134 0.000 0.836 1120 L CB 0.073 42.214 42.059 0.136 0.000 1.175 1120 L HN 0.610 nan 8.230 nan 0.000 0.589 1121 E N -0.847 119.360 120.200 0.012 0.000 2.242 1121 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 1121 E C -1.934 174.457 176.600 -0.348 0.000 1.002 1121 E CA -1.905 54.417 56.400 -0.131 0.000 0.841 1121 E CB 1.329 31.002 29.700 -0.044 0.000 1.109 1121 E HN 0.438 nan 8.360 nan 0.000 0.394 1122 P HA -0.339 nan 4.420 nan 0.000 0.220 1122 P C 0.912 178.066 177.300 -0.244 0.000 0.849 1122 P CA 2.311 65.303 63.100 -0.180 0.000 1.048 1122 P CB -0.187 31.441 31.700 -0.120 0.000 0.727 1123 G N 0.270 108.887 108.800 -0.305 0.000 2.806 1123 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.214 1123 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.214 1123 G C 0.118 174.943 174.900 -0.126 0.000 1.331 1123 G CA 1.242 46.247 45.100 -0.159 0.000 0.807 1123 G HN 0.535 nan 8.290 nan 0.000 0.644 1124 H N 1.435 120.528 119.070 0.037 0.000 4.775 1124 H HA 0.265 4.821 4.556 -0.000 0.000 0.168 1124 H C 1.127 176.499 175.328 0.073 0.000 0.825 1124 H CA 0.317 56.391 56.048 0.042 0.000 1.374 1124 H CB -1.020 28.757 29.762 0.024 0.000 1.579 1124 H HN 0.347 nan 8.280 nan 0.000 0.878 1125 A N 2.726 125.616 122.820 0.116 0.000 1.963 1125 A HA 0.390 4.710 4.320 -0.000 0.000 0.211 1125 A C 2.153 179.886 177.584 0.248 0.000 1.380 1125 A CA 0.478 52.599 52.037 0.141 0.000 0.690 1125 A CB -0.392 18.664 19.000 0.093 0.000 1.060 1125 A HN 0.591 nan 8.150 nan 0.000 0.498 1126 A N -0.108 122.850 122.820 0.229 0.000 2.276 1126 A HA 0.150 4.470 4.320 -0.000 0.000 0.212 1126 A C 0.563 178.297 177.584 0.249 0.000 1.230 1126 A CA 0.302 52.541 52.037 0.336 0.000 0.844 1126 A CB -0.532 18.598 19.000 0.217 0.000 0.860 1126 A HN 0.340 nan 8.150 nan 0.000 0.486 1127 D N 0.775 121.264 120.400 0.148 0.000 2.598 1127 D HA 0.002 4.642 4.640 -0.000 0.000 0.231 1127 D C 1.493 177.664 176.300 -0.215 0.000 1.127 1127 D CA 0.129 54.134 54.000 0.009 0.000 1.126 1127 D CB 0.190 41.029 40.800 0.066 0.000 1.124 1127 D HN 0.462 nan 8.370 nan 0.000 0.485 1128 Q N 1.811 121.387 119.800 -0.373 0.000 2.142 1128 Q HA -0.265 4.075 4.340 -0.000 0.000 0.213 1128 Q C 1.459 177.118 176.000 -0.568 0.000 1.004 1128 Q CA 1.818 57.143 55.803 -0.797 0.000 0.883 1128 Q CB -0.023 28.427 28.738 -0.480 0.000 0.939 1128 Q HN 0.400 nan 8.270 nan 0.000 0.413 1129 E N -0.537 119.476 120.200 -0.310 0.000 2.046 1129 E HA -0.174 4.176 4.350 -0.000 0.000 0.190 1129 E C 1.920 178.412 176.600 -0.181 0.000 0.982 1129 E CA 1.232 57.498 56.400 -0.223 0.000 0.800 1129 E CB -0.174 29.437 29.700 -0.149 0.000 0.756 1129 E HN 0.531 nan 8.360 nan 0.000 0.449 1130 Q N 0.907 120.623 119.800 -0.139 0.000 2.248 1130 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 1130 Q C 1.651 177.603 176.000 -0.081 0.000 0.984 1130 Q CA 1.709 57.459 55.803 -0.087 0.000 0.875 1130 Q CB -0.315 28.412 28.738 -0.018 0.000 0.910 1130 Q HN 0.243 nan 8.270 nan 0.000 0.433 1131 A N 0.813 123.547 122.820 -0.144 0.000 1.828 1131 A HA -0.240 4.080 4.320 -0.000 0.000 0.215 1131 A C 1.912 179.420 177.584 -0.126 0.000 1.203 1131 A CA 1.875 53.833 52.037 -0.132 0.000 0.614 1131 A CB -0.644 18.197 19.000 -0.266 0.000 0.844 1131 A HN 0.471 nan 8.150 nan 0.000 0.445 1132 K N -0.040 120.249 120.400 -0.185 0.000 2.077 1132 K HA -0.221 4.099 4.320 -0.000 0.000 0.213 1132 K C 1.864 178.398 176.600 -0.110 0.000 1.051 1132 K CA 1.819 58.010 56.287 -0.160 0.000 0.929 1132 K CB -0.744 31.649 32.500 -0.178 0.000 0.715 1132 K HN 0.493 nan 8.250 nan 0.000 0.451 1133 L N 0.724 121.887 121.223 -0.101 0.000 2.013 1133 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 1133 L C 2.464 179.304 176.870 -0.051 0.000 1.073 1133 L CA 1.499 56.294 54.840 -0.074 0.000 0.753 1133 L CB -0.668 41.346 42.059 -0.074 0.000 0.890 1133 L HN 0.232 nan 8.230 nan 0.000 0.432 1134 I N -1.065 119.481 120.570 -0.039 0.000 2.406 1134 I HA -0.196 3.974 4.170 -0.000 0.000 0.249 1134 I C 2.799 178.906 176.117 -0.016 0.000 1.122 1134 I CA 0.613 61.904 61.300 -0.015 0.000 1.431 1134 I CB -0.515 37.489 38.000 0.007 0.000 1.087 1134 I HN 0.267 nan 8.210 nan 0.000 0.424 1135 R N 1.816 122.298 120.500 -0.030 0.000 2.115 1135 R HA -0.200 4.140 4.340 -0.000 0.000 0.239 1135 R C 1.886 178.177 176.300 -0.015 0.000 1.133 1135 R CA 2.390 58.476 56.100 -0.023 0.000 0.935 1135 R CB -0.523 29.743 30.300 -0.056 0.000 0.853 1135 R HN 0.223 nan 8.270 nan 0.000 0.433 1136 S N -0.105 115.573 115.700 -0.037 0.000 2.723 1136 S HA 0.077 4.547 4.470 -0.000 0.000 0.231 1136 S C 1.046 175.632 174.600 -0.024 0.000 0.967 1136 S CA 0.531 58.712 58.200 -0.032 0.000 0.958 1136 S CB 0.417 63.586 63.200 -0.052 0.000 0.778 1136 S HN 0.566 nan 8.310 nan 0.000 0.537 1137 A N 0.621 123.432 122.820 -0.015 0.000 2.324 1137 A HA 0.418 4.738 4.320 -0.000 0.000 0.220 1137 A C 1.572 179.159 177.584 0.005 0.000 1.209 1137 A CA -0.133 51.899 52.037 -0.009 0.000 0.918 1137 A CB 0.001 18.995 19.000 -0.009 0.000 0.959 1137 A HN 0.584 nan 8.150 nan 0.000 0.507 1138 I N -4.166 116.413 120.570 0.014 0.000 4.197 1138 I HA 0.280 4.450 4.170 -0.000 0.000 0.307 1138 I C 0.930 177.077 176.117 0.050 0.000 1.236 1138 I CA 0.126 61.443 61.300 0.030 0.000 1.321 1138 I CB -0.184 37.832 38.000 0.026 0.000 1.309 1138 I HN 0.104 nan 8.210 nan 0.000 0.450 1139 E N 3.549 123.778 120.200 0.049 0.000 1.954 1139 E HA -0.147 4.203 4.350 -0.000 0.000 0.272 1139 E C -0.149 176.504 176.600 0.088 0.000 1.170 1139 E CA -0.085 56.358 56.400 0.072 0.000 1.101 1139 E CB -0.658 29.090 29.700 0.080 0.000 1.076 1139 E HN 0.409 nan 8.360 nan 0.000 0.449 1140 H N 1.972 121.041 119.070 -0.002 0.000 3.146 1140 H HA -0.177 4.379 4.556 -0.000 0.000 0.269 1140 H C -1.012 174.310 175.328 -0.009 0.000 0.847 1140 H CA 1.390 57.433 56.048 -0.009 0.000 1.422 1140 H CB 0.318 30.072 29.762 -0.012 0.000 1.274 1140 H HN 0.214 nan 8.280 nan 0.000 0.534 1141 T N 5.431 119.747 114.554 -0.397 0.000 2.879 1141 T HA 0.381 4.730 4.350 -0.000 0.000 0.290 1141 T C -0.466 174.009 174.700 -0.374 0.000 0.993 1141 T CA -0.397 61.540 62.100 -0.272 0.000 0.975 1141 T CB 1.125 69.906 68.868 -0.144 0.000 0.981 1141 T HN 0.719 nan 8.240 nan 0.000 0.439 1142 T N 0.836 115.246 114.554 -0.240 0.000 2.918 1142 T HA 0.494 4.844 4.350 -0.000 0.000 0.286 1142 T C 1.250 175.892 174.700 -0.096 0.000 1.026 1142 T CA -0.936 61.063 62.100 -0.169 0.000 1.031 1142 T CB 1.253 70.078 68.868 -0.072 0.000 1.046 1142 T HN 0.227 nan 8.240 nan 0.000 0.479 1143 L N 1.341 122.517 121.223 -0.079 0.000 2.051 1143 L HA -0.061 4.279 4.340 -0.000 0.000 0.214 1143 L C 2.524 179.372 176.870 -0.037 0.000 1.076 1143 L CA 1.998 56.803 54.840 -0.059 0.000 0.758 1143 L CB -0.978 41.056 42.059 -0.041 0.000 0.890 1143 L HN 0.939 nan 8.230 nan 0.000 0.433 1144 K N -0.756 119.630 120.400 -0.024 0.000 2.103 1144 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 1144 K C 2.030 178.623 176.600 -0.013 0.000 1.048 1144 K CA 1.634 57.915 56.287 -0.010 0.000 0.930 1144 K CB -0.177 32.324 32.500 0.002 0.000 0.716 1144 K HN 0.641 nan 8.250 nan 0.000 0.444 1145 S N -0.041 115.646 115.700 -0.021 0.000 2.469 1145 S HA -0.109 4.361 4.470 -0.000 0.000 0.238 1145 S C 1.824 176.412 174.600 -0.020 0.000 0.998 1145 S CA 1.214 59.403 58.200 -0.019 0.000 0.957 1145 S CB -0.303 62.882 63.200 -0.024 0.000 0.764 1145 S HN 0.300 nan 8.310 nan 0.000 0.514 1146 V N -2.194 117.704 119.914 -0.027 0.000 3.523 1146 V HA 0.235 4.355 4.120 -0.000 0.000 0.255 1146 V C 0.598 176.680 176.094 -0.019 0.000 1.226 1146 V CA 0.019 62.303 62.300 -0.026 0.000 1.092 1146 V CB -1.072 30.726 31.823 -0.040 0.000 0.817 1146 V HN 0.286 nan 8.190 nan 0.000 0.458 1147 T N 2.406 116.951 114.554 -0.015 0.000 2.853 1147 T HA 0.417 4.766 4.350 -0.000 0.000 0.298 1147 T C 1.108 175.808 174.700 0.001 0.000 0.978 1147 T CA 0.405 62.502 62.100 -0.006 0.000 1.152 1147 T CB 1.171 70.037 68.868 -0.002 0.000 0.914 1147 T HN 0.316 nan 8.240 nan 0.000 0.539 1148 I N 1.487 122.060 120.570 0.006 0.000 3.427 1148 I HA 0.344 4.514 4.170 -0.000 0.000 0.288 1148 I C 1.173 177.298 176.117 0.014 0.000 1.249 1148 I CA 0.140 61.445 61.300 0.009 0.000 1.421 1148 I CB -0.032 37.974 38.000 0.012 0.000 1.086 1148 I HN 0.744 nan 8.210 nan 0.000 0.448 1149 A N 0.136 122.967 122.820 0.018 0.000 2.555 1149 A HA 0.518 4.838 4.320 -0.000 0.000 0.299 1149 A C -0.743 176.859 177.584 0.029 0.000 0.962 1149 A CA -0.458 51.592 52.037 0.021 0.000 0.646 1149 A CB 0.339 19.354 19.000 0.024 0.000 1.327 1149 A HN 0.067 nan 8.150 nan 0.000 0.428 1150 S N -0.001 115.715 115.700 0.026 0.000 2.638 1150 S HA 0.944 5.414 4.470 -0.000 0.000 0.302 1150 S C -0.751 173.869 174.600 0.032 0.000 1.096 1150 S CA -0.608 57.614 58.200 0.036 0.000 0.953 1150 S CB 2.070 65.286 63.200 0.026 0.000 1.107 1150 S HN 0.794 nan 8.310 nan 0.000 0.503 1151 E N 0.248 120.482 120.200 0.057 0.000 2.335 1151 E HA 0.405 4.755 4.350 -0.000 0.000 0.280 1151 E C -1.460 175.171 176.600 0.051 0.000 0.918 1151 E CA -0.418 55.986 56.400 0.006 0.000 0.765 1151 E CB 2.086 31.793 29.700 0.011 0.000 1.218 1151 E HN 0.591 nan 8.360 nan 0.000 0.425 1152 I N 3.307 123.854 120.570 -0.038 0.000 2.321 1152 I HA 0.338 4.508 4.170 -0.000 0.000 0.291 1152 I C -0.838 175.320 176.117 0.069 0.000 0.998 1152 I CA -0.431 60.900 61.300 0.052 0.000 1.227 1152 I CB 0.453 38.431 38.000 -0.037 0.000 1.368 1152 I HN 0.439 nan 8.210 nan 0.000 0.466 1153 Y N 4.732 125.153 120.300 0.202 0.000 2.621 1153 Y HA 0.337 4.887 4.550 -0.000 0.000 0.334 1153 Y C -0.625 175.504 175.900 0.381 0.000 1.074 1153 Y CA -0.600 57.645 58.100 0.243 0.000 1.149 1153 Y CB 1.755 40.293 38.460 0.130 0.000 1.302 1153 Y HN 0.371 nan 8.280 nan 0.000 0.501 1154 Y N 2.169 122.702 120.300 0.390 0.000 2.587 1154 Y HA 0.353 4.903 4.550 -0.000 0.000 0.328 1154 Y C -1.086 174.806 175.900 -0.013 0.000 0.980 1154 Y CA -0.722 57.393 58.100 0.026 0.000 1.272 1154 Y CB 0.411 38.802 38.460 -0.114 0.000 1.094 1154 Y HN 0.480 nan 8.280 nan 0.000 0.503 1155 D N 8.572 128.685 120.400 -0.479 0.000 2.375 1155 D HA 0.252 4.892 4.640 -0.000 0.000 0.259 1155 D C -2.199 173.785 176.300 -0.526 0.000 1.235 1155 D CA -1.913 51.880 54.000 -0.345 0.000 0.924 1155 D CB 2.009 42.713 40.800 -0.160 0.000 1.143 1155 D HN 0.302 nan 8.370 nan 0.000 0.529 1156 P HA 0.014 nan 4.420 nan 0.000 0.236 1156 P C 0.106 177.261 177.300 -0.243 0.000 1.177 1156 P CA 0.209 62.999 63.100 -0.516 0.000 0.773 1156 P CB 0.600 32.036 31.700 -0.440 0.000 0.878 1157 D N 2.041 122.338 120.400 -0.171 0.000 2.456 1157 D HA 0.127 4.767 4.640 -0.000 0.000 0.219 1157 D C -1.741 174.521 176.300 -0.062 0.000 1.126 1157 D CA -2.749 51.194 54.000 -0.095 0.000 0.890 1157 D CB 0.511 41.273 40.800 -0.062 0.000 1.025 1157 D HN 0.067 nan 8.370 nan 0.000 0.511 1158 P HA 0.042 nan 4.420 nan 0.000 0.286 1158 P C -0.148 177.209 177.300 0.094 0.000 1.577 1158 P CA 0.145 63.241 63.100 -0.006 0.000 0.805 1158 P CB 0.067 31.734 31.700 -0.055 0.000 1.706 1159 R N -1.011 119.543 120.500 0.091 0.000 2.468 1159 R HA 0.161 4.501 4.340 -0.000 0.000 0.352 1159 R C -0.409 175.972 176.300 0.135 0.000 0.858 1159 R CA 0.104 56.310 56.100 0.176 0.000 1.108 1159 R CB 0.552 30.854 30.300 0.004 0.000 1.741 1159 R HN 0.247 nan 8.270 nan 0.000 0.504 1160 S N -1.477 114.264 115.700 0.068 0.000 2.602 1160 S HA 0.309 4.779 4.470 -0.000 0.000 0.301 1160 S C -0.714 173.880 174.600 -0.009 0.000 1.091 1160 S CA -0.836 57.384 58.200 0.033 0.000 0.895 1160 S CB 1.590 64.801 63.200 0.018 0.000 1.090 1160 S HN -0.068 nan 8.310 nan 0.000 0.449 1161 T N 2.572 117.111 114.554 -0.025 0.000 2.922 1161 T HA 0.415 4.765 4.350 -0.000 0.000 0.285 1161 T C 1.443 176.109 174.700 -0.058 0.000 1.005 1161 T CA -0.588 61.474 62.100 -0.064 0.000 1.061 1161 T CB 1.403 70.212 68.868 -0.098 0.000 1.007 1161 T HN 0.716 nan 8.240 nan 0.000 0.502 1162 V N 1.783 121.657 119.914 -0.067 0.000 3.380 1162 V HA 0.086 4.206 4.120 -0.000 0.000 0.268 1162 V C 0.773 176.840 176.094 -0.045 0.000 1.168 1162 V CA 0.918 63.201 62.300 -0.028 0.000 1.156 1162 V CB -0.919 30.913 31.823 0.016 0.000 0.785 1162 V HN 0.675 nan 8.190 nan 0.000 0.487 1163 I N 2.397 122.901 120.570 -0.110 0.000 2.331 1163 I HA 0.226 4.396 4.170 -0.000 0.000 0.292 1163 I C -0.834 175.241 176.117 -0.071 0.000 0.998 1163 I CA -1.931 59.297 61.300 -0.120 0.000 1.267 1163 I CB 1.660 39.507 38.000 -0.255 0.000 1.386 1163 I HN -0.013 nan 8.210 nan 0.000 0.476 1164 P HA -0.174 nan 4.420 nan 0.000 0.214 1164 P C 0.934 178.221 177.300 -0.023 0.000 1.162 1164 P CA 1.548 64.636 63.100 -0.020 0.000 0.879 1164 P CB 0.205 31.902 31.700 -0.006 0.000 0.786 1165 E N 0.642 120.828 120.200 -0.024 0.000 2.048 1165 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 1165 E C 1.737 178.321 176.600 -0.027 0.000 1.021 1165 E CA 1.646 58.035 56.400 -0.019 0.000 0.825 1165 E CB -1.138 28.553 29.700 -0.014 0.000 0.756 1165 E HN 0.221 nan 8.360 nan 0.000 0.454 1166 D N 0.627 120.998 120.400 -0.049 0.000 2.309 1166 D HA -0.123 4.517 4.640 -0.000 0.000 0.212 1166 D C 1.676 177.952 176.300 -0.040 0.000 0.968 1166 D CA 0.511 54.479 54.000 -0.054 0.000 0.882 1166 D CB -0.180 40.567 40.800 -0.089 0.000 0.918 1166 D HN 0.168 nan 8.370 nan 0.000 0.503 1167 E N 0.590 120.771 120.200 -0.030 0.000 2.113 1167 E HA -0.289 4.061 4.350 -0.000 0.000 0.210 1167 E C 1.836 178.434 176.600 -0.004 0.000 1.040 1167 E CA 1.310 57.702 56.400 -0.012 0.000 0.847 1167 E CB -0.176 29.520 29.700 -0.006 0.000 0.755 1167 E HN 0.335 nan 8.360 nan 0.000 0.459 1168 E N 0.829 121.024 120.200 -0.008 0.000 2.012 1168 E HA -0.204 4.146 4.350 -0.000 0.000 0.211 1168 E C 2.142 178.732 176.600 -0.017 0.000 1.029 1168 E CA 1.740 58.136 56.400 -0.006 0.000 0.867 1168 E CB -0.724 28.972 29.700 -0.008 0.000 0.790 1168 E HN 0.298 nan 8.360 nan 0.000 0.482 1169 I N 0.087 120.637 120.570 -0.034 0.000 2.231 1169 I HA -0.377 3.793 4.170 -0.000 0.000 0.251 1169 I C 2.151 178.208 176.117 -0.101 0.000 1.076 1169 I CA 1.472 62.734 61.300 -0.065 0.000 1.347 1169 I CB -0.650 37.308 38.000 -0.069 0.000 1.038 1169 I HN 0.208 nan 8.210 nan 0.000 0.429 1170 I N 0.505 121.025 120.570 -0.082 0.000 2.141 1170 I HA -0.259 3.911 4.170 -0.000 0.000 0.236 1170 I C 2.648 178.666 176.117 -0.166 0.000 1.071 1170 I CA 1.443 62.653 61.300 -0.150 0.000 1.345 1170 I CB -1.081 36.909 38.000 -0.015 0.000 1.066 1170 I HN 0.229 nan 8.210 nan 0.000 0.406 1171 Q N 1.533 121.389 119.800 0.093 0.000 2.152 1171 Q HA -0.183 4.157 4.340 -0.000 0.000 0.206 1171 Q C 2.007 178.085 176.000 0.129 0.000 0.985 1171 Q CA 1.910 57.872 55.803 0.264 0.000 0.863 1171 Q CB -1.326 27.519 28.738 0.177 0.000 0.904 1171 Q HN 0.517 nan 8.270 nan 0.000 0.422 1172 L N -0.142 121.088 121.223 0.010 0.000 2.017 1172 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 1172 L C 1.891 178.714 176.870 -0.078 0.000 1.073 1172 L CA 1.239 56.064 54.840 -0.024 0.000 0.745 1172 L CB -0.630 41.402 42.059 -0.045 0.000 0.894 1172 L HN 0.485 nan 8.230 nan 0.000 0.432 1173 H N -0.600 118.306 119.070 -0.274 0.000 2.970 1173 H HA 0.058 4.614 4.556 -0.000 0.000 0.226 1173 H C -0.076 174.934 175.328 -0.530 0.000 1.909 1173 H CA 0.440 56.263 56.048 -0.375 0.000 1.388 1173 H CB -0.317 29.175 29.762 -0.450 0.000 1.773 1173 H HN 0.252 nan 8.280 nan 0.000 0.559 1174 F N -0.699 119.182 119.950 -0.115 0.000 2.720 1174 F HA -0.002 4.525 4.527 -0.000 0.000 0.405 1174 F C 1.151 176.889 175.800 -0.103 0.000 0.853 1174 F CA -0.385 57.571 58.000 -0.073 0.000 0.962 1174 F CB 0.331 39.327 39.000 -0.007 0.000 1.135 1174 F HN 0.122 nan 8.300 nan 0.000 0.587 1188 Q N 1.191 120.959 119.800 -0.053 0.000 2.185 1188 Q HA 0.646 4.986 4.340 -0.000 0.000 0.225 1188 Q C -0.828 175.161 176.000 -0.019 0.000 0.983 1188 Q CA -0.449 55.332 55.803 -0.037 0.000 0.950 1188 Q CB 1.842 30.530 28.738 -0.083 0.000 1.176 1188 Q HN 0.223 nan 8.270 nan 0.000 0.510 1189 S N 0.486 116.194 115.700 0.013 0.000 2.554 1189 S HA 0.267 4.737 4.470 -0.000 0.000 0.278 1189 S C -1.793 172.776 174.600 -0.052 0.000 1.242 1189 S CA -1.720 56.496 58.200 0.026 0.000 1.051 1189 S CB 0.662 63.935 63.200 0.121 0.000 0.986 1189 S HN 0.434 nan 8.310 nan 0.000 0.502 1190 P HA 0.030 nan 4.420 nan 0.000 0.227 1190 P C -0.264 176.756 177.300 -0.467 0.000 1.161 1190 P CA 0.331 63.164 63.100 -0.445 0.000 0.788 1190 P CB -0.014 31.278 31.700 -0.680 0.000 0.822 1191 W N 1.390 122.620 121.300 -0.117 0.000 2.485 1191 W HA 0.301 4.961 4.660 -0.000 0.000 0.315 1191 W C 0.435 176.941 176.519 -0.022 0.000 1.304 1191 W CA -0.949 56.369 57.345 -0.045 0.000 1.345 1191 W CB 0.188 29.651 29.460 0.005 0.000 1.368 1191 W HN -0.093 nan 8.180 nan 0.000 0.497 1192 L N 6.311 127.708 121.223 0.290 0.000 2.289 1192 L HA 0.498 4.838 4.340 -0.000 0.000 0.285 1192 L C -0.889 176.109 176.870 0.213 0.000 1.049 1192 L CA -0.736 54.219 54.840 0.192 0.000 0.804 1192 L CB 0.565 42.703 42.059 0.131 0.000 1.195 1192 L HN 0.287 nan 8.230 nan 0.000 0.428 1193 L N 6.244 127.544 121.223 0.128 0.000 2.280 1193 L HA 0.566 4.906 4.340 -0.000 0.000 0.287 1193 L C -0.764 176.162 176.870 0.094 0.000 1.023 1193 L CA -0.142 54.758 54.840 0.099 0.000 0.819 1193 L CB 0.863 42.941 42.059 0.033 0.000 1.212 1193 L HN 0.772 nan 8.230 nan 0.000 0.420 1194 R N 5.614 126.196 120.500 0.138 0.000 2.534 1194 R HA 0.697 5.037 4.340 -0.000 0.000 0.301 1194 R C -1.738 174.620 176.300 0.096 0.000 0.961 1194 R CA -0.697 55.473 56.100 0.117 0.000 0.871 1194 R CB 1.265 31.669 30.300 0.174 0.000 1.170 1194 R HN 0.737 nan 8.270 nan 0.000 0.446 1195 L N 2.909 124.168 121.223 0.061 0.000 2.341 1195 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 1195 L C -0.201 176.693 176.870 0.039 0.000 1.005 1195 L CA -0.653 54.214 54.840 0.045 0.000 0.818 1195 L CB 2.049 44.123 42.059 0.025 0.000 1.259 1195 L HN 0.568 nan 8.230 nan 0.000 0.418 1196 E N 4.293 124.515 120.200 0.037 0.000 2.063 1196 E HA 0.407 4.757 4.350 -0.000 0.000 0.265 1196 E C -0.990 175.619 176.600 0.015 0.000 0.919 1196 E CA -0.540 55.878 56.400 0.030 0.000 0.756 1196 E CB 0.991 30.715 29.700 0.039 0.000 1.120 1196 E HN 0.507 nan 8.360 nan 0.000 0.414 1197 L N 2.554 123.780 121.223 0.004 0.000 2.466 1197 L HA 0.287 4.627 4.340 -0.000 0.000 0.257 1197 L C 0.397 177.265 176.870 -0.004 0.000 1.189 1197 L CA -0.478 54.357 54.840 -0.008 0.000 0.813 1197 L CB 0.443 42.486 42.059 -0.026 0.000 1.118 1197 L HN 0.531 nan 8.230 nan 0.000 0.471 1198 D N -0.186 120.209 120.400 -0.008 0.000 2.198 1198 D HA 0.205 4.845 4.640 -0.000 0.000 0.245 1198 D C 0.926 177.222 176.300 -0.008 0.000 1.079 1198 D CA -0.333 53.664 54.000 -0.005 0.000 0.854 1198 D CB 1.309 42.106 40.800 -0.004 0.000 1.148 1198 D HN 0.314 nan 8.370 nan 0.000 0.456 1199 R N 2.627 123.125 120.500 -0.004 0.000 2.088 1199 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 1199 R C 1.974 178.271 176.300 -0.006 0.000 1.136 1199 R CA 1.682 57.779 56.100 -0.005 0.000 0.926 1199 R CB -0.416 29.883 30.300 -0.001 0.000 0.837 1199 R HN 0.617 nan 8.270 nan 0.000 0.429 1200 A N 1.022 123.840 122.820 -0.003 0.000 1.896 1200 A HA -0.292 4.027 4.320 -0.000 0.000 0.220 1200 A C 2.365 179.948 177.584 -0.002 0.000 1.206 1200 A CA 2.374 54.411 52.037 -0.001 0.000 0.647 1200 A CB -1.099 17.902 19.000 0.001 0.000 0.828 1200 A HN 0.538 nan 8.150 nan 0.000 0.455 1201 A N -1.407 121.410 122.820 -0.004 0.000 1.948 1201 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 1201 A C 1.944 179.520 177.584 -0.014 0.000 1.177 1201 A CA 2.041 54.074 52.037 -0.007 0.000 0.636 1201 A CB -0.473 18.520 19.000 -0.011 0.000 0.815 1201 A HN 0.459 nan 8.150 nan 0.000 0.449 1202 M N 0.261 119.850 119.600 -0.019 0.000 2.682 1202 M HA 0.037 4.517 4.480 -0.000 0.000 0.235 1202 M C 0.753 177.039 176.300 -0.024 0.000 1.114 1202 M CA 0.470 55.754 55.300 -0.028 0.000 1.053 1202 M CB -1.217 31.365 32.600 -0.031 0.000 1.599 1202 M HN 0.449 nan 8.290 nan 0.000 0.520 1203 N N -0.049 118.642 118.700 -0.015 0.000 2.765 1203 N HA -0.070 4.670 4.740 -0.000 0.000 0.230 1203 N C 1.291 176.794 175.510 -0.012 0.000 1.022 1203 N CA 0.389 53.430 53.050 -0.015 0.000 1.106 1203 N CB -0.369 38.113 38.487 -0.010 0.000 1.527 1203 N HN 0.262 nan 8.380 nan 0.000 0.507 1204 D N 1.553 121.956 120.400 0.004 0.000 2.204 1204 D HA -0.204 4.436 4.640 -0.000 0.000 0.189 1204 D C -0.088 176.221 176.300 0.014 0.000 1.006 1204 D CA 1.417 55.433 54.000 0.027 0.000 0.855 1204 D CB 0.043 40.883 40.800 0.066 0.000 0.946 1204 D HN 0.163 nan 8.370 nan 0.000 0.448 1205 K N 1.706 122.112 120.400 0.011 0.000 2.291 1205 K HA 0.109 4.429 4.320 -0.000 0.000 0.242 1205 K C -0.807 175.776 176.600 -0.028 0.000 1.098 1205 K CA -0.530 55.754 56.287 -0.005 0.000 1.036 1205 K CB 0.889 33.385 32.500 -0.006 0.000 1.655 1205 K HN 0.098 nan 8.250 nan 0.000 0.432 1206 D N 3.073 123.452 120.400 -0.036 0.000 3.061 1206 D HA -0.133 4.507 4.640 -0.000 0.000 0.226 1206 D C -0.223 176.049 176.300 -0.046 0.000 1.168 1206 D CA 1.249 55.225 54.000 -0.040 0.000 0.822 1206 D CB 0.352 41.124 40.800 -0.046 0.000 1.152 1206 D HN 0.323 nan 8.370 nan 0.000 0.555 1207 L N 1.911 123.105 121.223 -0.047 0.000 2.434 1207 L HA 0.356 4.696 4.340 -0.000 0.000 0.260 1207 L C 0.066 176.900 176.870 -0.060 0.000 0.983 1207 L CA -0.718 54.085 54.840 -0.061 0.000 0.820 1207 L CB 2.536 44.551 42.059 -0.072 0.000 1.361 1207 L HN 0.075 nan 8.230 nan 0.000 0.410 1208 T N 1.722 116.231 114.554 -0.075 0.000 2.829 1208 T HA 0.296 4.645 4.350 -0.000 0.000 0.280 1208 T C 1.126 175.745 174.700 -0.135 0.000 0.999 1208 T CA -0.693 61.366 62.100 -0.068 0.000 0.983 1208 T CB 1.765 70.608 68.868 -0.042 0.000 0.968 1208 T HN 0.424 nan 8.240 nan 0.000 0.446 1209 M N 1.949 121.471 119.600 -0.130 0.000 2.089 1209 M HA -0.109 4.371 4.480 -0.000 0.000 0.257 1209 M C 2.550 178.487 176.300 -0.605 0.000 1.071 1209 M CA 1.997 57.117 55.300 -0.301 0.000 1.096 1209 M CB -1.857 30.677 32.600 -0.110 0.000 1.330 1209 M HN 0.866 nan 8.290 nan 0.000 0.403 1210 G N -0.016 108.636 108.800 -0.247 0.000 2.553 1210 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 1210 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 1210 G C 1.477 176.186 174.900 -0.319 0.000 1.195 1210 G CA 1.189 46.213 45.100 -0.125 0.000 0.779 1210 G HN 0.561 nan 8.290 nan 0.000 0.577 1211 Q N -0.306 119.367 119.800 -0.211 0.000 1.927 1211 Q HA -0.151 4.189 4.340 -0.000 0.000 0.210 1211 Q C 2.903 178.741 176.000 -0.270 0.000 1.001 1211 Q CA 2.065 57.757 55.803 -0.185 0.000 0.862 1211 Q CB -0.681 27.977 28.738 -0.133 0.000 0.934 1211 Q HN 0.333 nan 8.270 nan 0.000 0.420 1212 V N 0.895 120.630 119.914 -0.298 0.000 2.233 1212 V HA -0.352 3.768 4.120 -0.000 0.000 0.252 1212 V C 2.255 178.109 176.094 -0.400 0.000 1.063 1212 V CA 2.221 64.342 62.300 -0.299 0.000 1.032 1212 V CB -1.695 29.956 31.823 -0.286 0.000 0.645 1212 V HN 0.681 nan 8.190 nan 0.000 0.446 1213 G N -0.458 107.890 108.800 -0.753 0.000 2.553 1213 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.218 1213 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.218 1213 G C 1.373 175.968 174.900 -0.508 0.000 1.195 1213 G CA 1.119 45.612 45.100 -1.012 0.000 0.779 1213 G HN 0.515 nan 8.290 nan 0.000 0.577 1214 E N 0.580 120.534 120.200 -0.410 0.000 2.113 1214 E HA -0.205 4.144 4.350 -0.000 0.000 0.210 1214 E C 2.719 179.276 176.600 -0.072 0.000 1.040 1214 E CA 1.063 57.401 56.400 -0.102 0.000 0.847 1214 E CB -0.368 29.294 29.700 -0.063 0.000 0.755 1214 E HN 0.220 nan 8.360 nan 0.000 0.459 1215 R N 0.434 120.863 120.500 -0.118 0.000 2.132 1215 R HA -0.130 4.210 4.340 -0.000 0.000 0.233 1215 R C 2.676 178.946 176.300 -0.050 0.000 1.125 1215 R CA 1.380 57.428 56.100 -0.087 0.000 0.914 1215 R CB -1.466 28.768 30.300 -0.110 0.000 0.845 1215 R HN 0.343 nan 8.270 nan 0.000 0.431 1216 I N 1.064 121.614 120.570 -0.033 0.000 2.091 1216 I HA -0.365 3.805 4.170 -0.000 0.000 0.240 1216 I C 2.482 178.720 176.117 0.202 0.000 1.046 1216 I CA 1.798 63.162 61.300 0.108 0.000 1.306 1216 I CB -0.570 37.495 38.000 0.109 0.000 1.018 1216 I HN 0.103 nan 8.210 nan 0.000 0.404 1217 K N 1.513 121.991 120.400 0.130 0.000 2.059 1217 K HA -0.260 4.060 4.320 -0.000 0.000 0.212 1217 K C 2.130 178.813 176.600 0.138 0.000 1.050 1217 K CA 2.254 58.638 56.287 0.161 0.000 0.927 1217 K CB -0.396 32.206 32.500 0.170 0.000 0.714 1217 K HN 0.673 nan 8.250 nan 0.000 0.447 1218 Q N -1.837 118.006 119.800 0.072 0.000 2.398 1218 Q HA 0.021 4.360 4.340 -0.000 0.000 0.204 1218 Q C 1.511 177.506 176.000 -0.009 0.000 0.932 1218 Q CA 1.250 57.076 55.803 0.039 0.000 0.916 1218 Q CB -0.069 28.678 28.738 0.014 0.000 1.024 1218 Q HN 0.129 nan 8.270 nan 0.000 0.504 1219 T N 0.746 115.261 114.554 -0.065 0.000 2.777 1219 T HA -0.049 4.301 4.350 -0.000 0.000 0.266 1219 T C 1.028 175.525 174.700 -0.339 0.000 1.040 1219 T CA 1.412 63.357 62.100 -0.259 0.000 1.141 1219 T CB -0.168 68.439 68.868 -0.435 0.000 0.868 1219 T HN 0.296 nan 8.240 nan 0.000 0.444 1220 F N 0.419 120.379 119.950 0.016 0.000 2.315 1220 F HA 0.321 4.848 4.527 -0.000 0.000 0.284 1220 F C 1.472 177.293 175.800 0.034 0.000 1.049 1220 F CA -0.149 57.867 58.000 0.026 0.000 1.323 1220 F CB -0.039 38.980 39.000 0.031 0.000 1.113 1220 F HN -0.025 nan 8.300 nan 0.000 0.544 1221 K N -0.685 119.862 120.400 0.245 0.000 6.405 1221 K HA -0.261 4.059 4.320 -0.000 0.000 0.193 1221 K C -0.470 176.221 176.600 0.151 0.000 1.477 1221 K CA 0.972 57.353 56.287 0.157 0.000 0.758 1221 K CB -1.294 31.270 32.500 0.106 0.000 0.576 1221 K HN -0.032 nan 8.250 nan 0.000 0.536 1222 N N 2.762 121.535 118.700 0.122 0.000 3.050 1222 N HA 0.098 4.838 4.740 -0.000 0.000 0.289 1222 N C -1.069 174.505 175.510 0.107 0.000 1.209 1222 N CA 1.003 54.118 53.050 0.109 0.000 1.154 1222 N CB -0.230 38.308 38.487 0.085 0.000 1.444 1222 N HN 0.532 nan 8.380 nan 0.000 0.529 1223 D N -0.470 120.001 120.400 0.118 0.000 3.982 1223 D HA -0.030 4.610 4.640 -0.000 0.000 0.231 1223 D C -0.764 175.576 176.300 0.067 0.000 0.891 1223 D CA -0.365 53.693 54.000 0.097 0.000 0.755 1223 D CB -1.074 39.789 40.800 0.104 0.000 1.742 1223 D HN 0.130 nan 8.370 nan 0.000 0.300 1224 L N 0.916 122.186 121.223 0.079 0.000 2.849 1224 L HA 0.504 4.844 4.340 -0.000 0.000 0.256 1224 L C -2.110 174.813 176.870 0.088 0.000 0.951 1224 L CA -0.790 54.057 54.840 0.012 0.000 1.003 1224 L CB 1.236 43.182 42.059 -0.188 0.000 1.408 1224 L HN -0.019 nan 8.230 nan 0.000 0.463 1225 F N 5.925 125.859 119.950 -0.027 0.000 2.467 1225 F HA 0.685 5.212 4.527 -0.000 0.000 0.362 1225 F C -0.529 175.248 175.800 -0.037 0.000 1.090 1225 F CA 0.030 58.015 58.000 -0.025 0.000 1.202 1225 F CB 0.810 39.788 39.000 -0.037 0.000 1.113 1225 F HN 0.269 nan 8.300 nan 0.000 0.541 1226 V N 7.613 127.069 119.914 -0.762 0.000 2.709 1226 V HA 0.574 4.694 4.120 -0.000 0.000 0.308 1226 V C -0.111 175.537 176.094 -0.744 0.000 1.062 1226 V CA -0.826 61.155 62.300 -0.531 0.000 0.901 1226 V CB 1.691 33.489 31.823 -0.042 0.000 1.003 1226 V HN 0.696 nan 8.190 nan 0.000 0.425 1227 I N 2.361 122.613 120.570 -0.529 0.000 3.264 1227 I HA 0.839 5.009 4.170 -0.000 0.000 0.315 1227 I C -1.296 174.779 176.117 -0.070 0.000 1.154 1227 I CA -0.686 60.231 61.300 -0.640 0.000 0.962 1227 I CB 2.542 40.128 38.000 -0.690 0.000 1.265 1227 I HN 0.877 nan 8.210 nan 0.000 0.463 1228 W N 0.309 121.495 121.300 -0.190 0.000 3.161 1228 W HA 0.653 5.313 4.660 -0.000 0.000 0.314 1228 W C -0.850 175.622 176.519 -0.077 0.000 1.245 1228 W CA -0.848 56.427 57.345 -0.117 0.000 1.191 1228 W CB -0.127 29.277 29.460 -0.093 0.000 1.392 1228 W HN 0.611 nan 8.180 nan 0.000 0.568 1229 S N -0.044 115.783 115.700 0.211 0.000 2.625 1229 S HA 0.536 5.006 4.470 -0.000 0.000 0.258 1229 S C -0.477 174.243 174.600 0.200 0.000 1.256 1229 S CA -0.238 58.033 58.200 0.118 0.000 0.983 1229 S CB 1.355 64.600 63.200 0.076 0.000 1.032 1229 S HN 0.675 nan 8.310 nan 0.000 0.572 1230 E N -0.897 119.373 120.200 0.117 0.000 2.238 1230 E HA 0.250 4.600 4.350 -0.000 0.000 0.267 1230 E C 0.018 176.664 176.600 0.077 0.000 0.887 1230 E CA -0.657 55.817 56.400 0.123 0.000 0.769 1230 E CB 1.159 30.907 29.700 0.080 0.000 1.187 1230 E HN 0.601 nan 8.360 nan 0.000 0.416 1231 D N 2.743 123.185 120.400 0.071 0.000 2.286 1231 D HA -0.312 4.328 4.640 -0.000 0.000 0.195 1231 D C 1.147 177.463 176.300 0.026 0.000 1.012 1231 D CA 1.030 55.052 54.000 0.036 0.000 0.901 1231 D CB 0.095 40.912 40.800 0.028 0.000 0.903 1231 D HN 0.471 nan 8.370 nan 0.000 0.451 1232 N N 1.184 119.901 118.700 0.029 0.000 2.013 1232 N HA -0.118 4.622 4.740 -0.000 0.000 0.195 1232 N C 0.198 175.719 175.510 0.018 0.000 1.051 1232 N CA 0.824 53.886 53.050 0.020 0.000 0.851 1232 N CB -0.060 38.438 38.487 0.019 0.000 1.044 1232 N HN 0.134 nan 8.380 nan 0.000 0.422 1233 D N 0.618 121.031 120.400 0.022 0.000 2.703 1233 D HA -0.181 4.459 4.640 -0.000 0.000 0.220 1233 D C 0.973 177.282 176.300 0.016 0.000 1.188 1233 D CA 0.828 54.840 54.000 0.019 0.000 0.862 1233 D CB 0.376 41.191 40.800 0.026 0.000 1.223 1233 D HN 0.572 nan 8.370 nan 0.000 0.524 1234 E N 0.560 120.768 120.200 0.013 0.000 2.489 1234 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 1234 E C 0.204 176.811 176.600 0.012 0.000 1.057 1234 E CA 0.332 56.738 56.400 0.011 0.000 0.866 1234 E CB 0.436 30.141 29.700 0.009 0.000 0.916 1234 E HN 0.163 nan 8.360 nan 0.000 0.500 1235 K N 1.323 121.732 120.400 0.015 0.000 2.615 1235 K HA 0.311 4.631 4.320 -0.000 0.000 0.249 1235 K C -1.381 175.232 176.600 0.022 0.000 0.977 1235 K CA -0.489 55.809 56.287 0.017 0.000 0.833 1235 K CB 1.416 33.925 32.500 0.016 0.000 1.208 1235 K HN 0.049 nan 8.250 nan 0.000 0.443 1236 L N 5.585 126.820 121.223 0.021 0.000 2.305 1236 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 1236 L C -0.409 176.479 176.870 0.029 0.000 1.085 1236 L CA -0.631 54.224 54.840 0.026 0.000 0.813 1236 L CB 0.419 42.484 42.059 0.012 0.000 1.157 1236 L HN 0.491 nan 8.230 nan 0.000 0.436 1237 I N 3.672 124.270 120.570 0.046 0.000 3.006 1237 I HA 0.486 4.656 4.170 -0.000 0.000 0.306 1237 I C -0.625 175.539 176.117 0.079 0.000 1.250 1237 I CA -0.116 61.212 61.300 0.047 0.000 0.996 1237 I CB 2.574 40.594 38.000 0.033 0.000 1.261 1237 I HN 0.356 nan 8.210 nan 0.000 0.442 1238 I N 3.352 123.959 120.570 0.062 0.000 2.533 1238 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 1238 I C -0.770 175.371 176.117 0.040 0.000 1.056 1238 I CA -0.669 60.681 61.300 0.083 0.000 1.057 1238 I CB 1.955 39.977 38.000 0.038 0.000 1.240 1238 I HN 0.394 nan 8.210 nan 0.000 0.423 1239 R N 4.687 125.193 120.500 0.010 0.000 2.437 1239 R HA 0.734 5.074 4.340 -0.000 0.000 0.310 1239 R C -1.430 174.829 176.300 -0.068 0.000 0.955 1239 R CA -0.517 55.566 56.100 -0.029 0.000 0.851 1239 R CB 1.936 32.200 30.300 -0.060 0.000 1.161 1239 R HN 0.581 nan 8.270 nan 0.000 0.446 1240 C N 1.330 120.611 119.300 -0.031 0.000 2.779 1240 C HA 0.579 5.039 4.460 -0.000 0.000 0.314 1240 C C 1.105 176.106 174.990 0.019 0.000 1.231 1240 C CA -0.724 58.265 59.018 -0.048 0.000 1.652 1240 C CB 2.204 29.896 27.740 -0.080 0.000 2.198 1240 C HN 0.943 nan 8.230 nan 0.000 0.483 1241 R N 0.081 120.612 120.500 0.052 0.000 2.789 1241 R HA 0.645 4.985 4.340 -0.000 0.000 0.166 1241 R C -0.730 175.607 176.300 0.061 0.000 0.957 1241 R CA 0.277 56.433 56.100 0.093 0.000 1.084 1241 R CB 0.305 30.703 30.300 0.164 0.000 1.312 1241 R HN 0.541 nan 8.270 nan 0.000 0.546 1242 V N 0.009 119.959 119.914 0.059 0.000 2.071 1242 V HA -0.111 4.009 4.120 -0.000 0.000 0.344 1242 V C -1.477 174.653 176.094 0.061 0.000 1.660 1242 V CA -0.297 62.022 62.300 0.030 0.000 0.804 1242 V CB 0.342 32.183 31.823 0.030 0.000 1.101 1242 V HN 0.230 nan 8.190 nan 0.000 0.182 1243 V N -0.689 119.256 119.914 0.052 0.000 3.188 1243 V HA 0.766 4.886 4.120 -0.000 0.000 0.305 1243 V C 0.213 176.334 176.094 0.044 0.000 1.232 1243 V CA -0.992 61.337 62.300 0.048 0.000 1.043 1243 V CB 1.992 33.849 31.823 0.056 0.000 1.068 1243 V HN 1.038 nan 8.190 nan 0.000 0.439 1255 E N 0.028 120.310 120.200 0.137 0.000 2.296 1255 E HA -0.127 4.223 4.350 -0.000 0.000 0.306 1255 E C 0.205 176.861 176.600 0.093 0.000 1.075 1255 E CA 0.783 57.280 56.400 0.161 0.000 0.907 1255 E CB -1.498 28.319 29.700 0.195 0.000 1.254 1255 E HN 0.664 nan 8.360 nan 0.000 0.429 1256 E N 0.956 121.187 120.200 0.051 0.000 2.001 1256 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 1256 E C 1.478 177.943 176.600 -0.225 0.000 0.994 1256 E CA 1.426 57.821 56.400 -0.009 0.000 0.815 1256 E CB -0.154 29.673 29.700 0.212 0.000 0.770 1256 E HN 0.642 nan 8.360 nan 0.000 0.453 1257 D N 0.551 120.558 120.400 -0.656 0.000 2.389 1257 D HA -0.208 4.432 4.640 -0.000 0.000 0.221 1257 D C 1.428 177.481 176.300 -0.412 0.000 0.974 1257 D CA 0.976 54.561 54.000 -0.693 0.000 0.923 1257 D CB -0.232 39.827 40.800 -1.235 0.000 0.892 1257 D HN 0.260 nan 8.370 nan 0.000 0.518 1258 H N -0.306 118.633 119.070 -0.219 0.000 2.436 1258 H HA 0.038 4.594 4.556 -0.000 0.000 0.294 1258 H C 1.891 177.166 175.328 -0.088 0.000 1.048 1258 H CA 1.266 57.236 56.048 -0.129 0.000 1.353 1258 H CB 0.019 29.729 29.762 -0.087 0.000 1.414 1258 H HN 0.293 nan 8.280 nan 0.000 0.536 1259 M N 0.248 119.866 119.600 0.031 0.000 2.357 1259 M HA 0.013 4.493 4.480 -0.000 0.000 0.266 1259 M C 1.920 178.211 176.300 -0.015 0.000 1.095 1259 M CA 0.872 56.183 55.300 0.018 0.000 1.156 1259 M CB -0.208 32.408 32.600 0.027 0.000 1.365 1259 M HN 0.100 nan 8.290 nan 0.000 0.447 1260 L N 0.198 121.382 121.223 -0.065 0.000 2.353 1260 L HA -0.117 4.223 4.340 -0.000 0.000 0.220 1260 L C 1.773 178.611 176.870 -0.053 0.000 1.133 1260 L CA 1.744 56.542 54.840 -0.070 0.000 0.798 1260 L CB -0.448 41.548 42.059 -0.104 0.000 0.922 1260 L HN 0.296 nan 8.230 nan 0.000 0.445 1261 K N -0.961 119.409 120.400 -0.049 0.000 2.211 1261 K HA -0.027 4.293 4.320 -0.000 0.000 0.201 1261 K C 1.942 178.546 176.600 0.007 0.000 1.052 1261 K CA 0.797 57.069 56.287 -0.026 0.000 0.973 1261 K CB 0.121 32.604 32.500 -0.028 0.000 0.766 1261 K HN 0.244 nan 8.250 nan 0.000 0.466 1262 K N 0.507 120.918 120.400 0.018 0.000 2.211 1262 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 1262 K C 1.701 178.341 176.600 0.066 0.000 1.050 1262 K CA 0.980 57.290 56.287 0.038 0.000 0.945 1262 K CB 0.081 32.606 32.500 0.041 0.000 0.732 1262 K HN 0.093 nan 8.250 nan 0.000 0.451 1263 I N 1.059 121.665 120.570 0.061 0.000 2.876 1263 I HA -0.150 4.020 4.170 -0.000 0.000 0.264 1263 I C 2.282 178.461 176.117 0.103 0.000 1.204 1263 I CA 0.671 62.034 61.300 0.104 0.000 1.485 1263 I CB 0.017 38.006 38.000 -0.018 0.000 1.103 1263 I HN 0.186 nan 8.210 nan 0.000 0.446 1264 E N 1.109 121.338 120.200 0.049 0.000 2.208 1264 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 1264 E C 1.739 178.372 176.600 0.056 0.000 0.988 1264 E CA 1.423 57.849 56.400 0.043 0.000 0.828 1264 E CB -0.126 29.583 29.700 0.014 0.000 0.763 1264 E HN 0.276 nan 8.360 nan 0.000 0.478 1265 N N -0.151 118.584 118.700 0.057 0.000 2.182 1265 N HA -0.034 4.706 4.740 -0.000 0.000 0.186 1265 N C 1.488 177.035 175.510 0.063 0.000 1.036 1265 N CA 2.055 55.135 53.050 0.049 0.000 0.850 1265 N CB -0.729 37.781 38.487 0.038 0.000 1.010 1265 N HN 0.185 nan 8.380 nan 0.000 0.432 1266 T N 1.332 115.937 114.554 0.085 0.000 2.751 1266 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 1266 T C 1.856 176.604 174.700 0.078 0.000 1.045 1266 T CA 1.223 63.372 62.100 0.082 0.000 1.142 1266 T CB -0.156 68.795 68.868 0.139 0.000 0.851 1266 T HN 0.250 nan 8.240 nan 0.000 0.474 1267 M N -0.168 119.514 119.600 0.137 0.000 2.160 1267 M HA 0.110 4.590 4.480 -0.000 0.000 0.264 1267 M C 2.140 178.471 176.300 0.051 0.000 1.073 1267 M CA 1.315 56.688 55.300 0.122 0.000 1.142 1267 M CB -0.355 32.342 32.600 0.162 0.000 1.358 1267 M HN 0.215 nan 8.290 nan 0.000 0.422 1268 L N -0.615 120.634 121.223 0.044 0.000 2.395 1268 L HA -0.065 4.275 4.340 -0.000 0.000 0.218 1268 L C 0.484 177.366 176.870 0.019 0.000 1.130 1268 L CA 0.849 55.703 54.840 0.024 0.000 0.826 1268 L CB 0.004 42.077 42.059 0.023 0.000 0.941 1268 L HN 0.322 nan 8.230 nan 0.000 0.451 1269 E N -0.778 119.435 120.200 0.022 0.000 3.586 1269 E HA 0.151 4.501 4.350 -0.000 0.000 0.175 1269 E C -0.299 176.312 176.600 0.018 0.000 0.980 1269 E CA -0.044 56.370 56.400 0.023 0.000 1.391 1269 E CB 0.490 30.203 29.700 0.022 0.000 1.101 1269 E HN 0.098 nan 8.360 nan 0.000 0.440 1270 N N 0.580 119.283 118.700 0.005 0.000 2.002 1270 N HA 0.196 4.936 4.740 -0.000 0.000 0.222 1270 N C -1.010 174.474 175.510 -0.042 0.000 1.396 1270 N CA 0.183 53.225 53.050 -0.013 0.000 0.725 1270 N CB 1.093 39.564 38.487 -0.027 0.000 1.183 1270 N HN 0.135 nan 8.380 nan 0.000 0.540 1271 I N 1.354 121.902 120.570 -0.037 0.000 2.447 1271 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 1271 I C -0.614 175.456 176.117 -0.079 0.000 1.023 1271 I CA -0.179 61.081 61.300 -0.067 0.000 1.083 1271 I CB 2.089 40.048 38.000 -0.069 0.000 1.245 1271 I HN -0.208 nan 8.210 nan 0.000 0.434 1272 T N 6.544 121.040 114.554 -0.097 0.000 2.797 1272 T HA 0.357 4.707 4.350 -0.000 0.000 0.279 1272 T C 0.696 175.302 174.700 -0.155 0.000 0.991 1272 T CA -0.546 61.446 62.100 -0.179 0.000 0.979 1272 T CB 2.275 71.051 68.868 -0.153 0.000 0.943 1272 T HN 0.224 nan 8.240 nan 0.000 0.444 1273 L N 1.794 122.908 121.223 -0.181 0.000 2.121 1273 L HA 0.377 4.717 4.340 -0.000 0.000 0.200 1273 L C 1.227 178.025 176.870 -0.120 0.000 1.077 1273 L CA 1.471 56.228 54.840 -0.138 0.000 0.766 1273 L CB -0.562 41.417 42.059 -0.133 0.000 0.931 1273 L HN 0.511 nan 8.230 nan 0.000 0.452 1274 R N -2.276 118.143 120.500 -0.136 0.000 2.922 1274 R HA 0.630 4.970 4.340 -0.000 0.000 0.256 1274 R C -0.340 175.910 176.300 -0.083 0.000 1.138 1274 R CA -0.385 55.661 56.100 -0.090 0.000 0.995 1274 R CB 1.069 31.328 30.300 -0.067 0.000 1.226 1274 R HN 0.193 nan 8.270 nan 0.000 0.481 1275 G N -0.276 108.511 108.800 -0.021 0.000 2.828 1275 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.463 1275 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.463 1275 G C -1.123 173.830 174.900 0.089 0.000 1.394 1275 G CA -0.572 44.550 45.100 0.037 0.000 0.862 1275 G HN 0.410 nan 8.290 nan 0.000 0.540 1276 V N 0.786 120.769 119.914 0.115 0.000 2.815 1276 V HA 0.606 4.726 4.120 -0.000 0.000 0.314 1276 V C 0.829 176.980 176.094 0.095 0.000 1.064 1276 V CA -0.071 62.286 62.300 0.096 0.000 0.952 1276 V CB 1.670 33.519 31.823 0.043 0.000 1.020 1276 V HN 1.201 nan 8.190 nan 0.000 0.439 1277 E N 2.803 123.011 120.200 0.014 0.000 2.447 1277 E HA 0.070 4.420 4.350 -0.000 0.000 0.259 1277 E C 0.357 176.860 176.600 -0.163 0.000 1.196 1277 E CA 0.133 56.423 56.400 -0.184 0.000 0.995 1277 E CB 0.017 29.631 29.700 -0.143 0.000 0.974 1277 E HN 0.641 nan 8.360 nan 0.000 0.465 1278 N N -0.960 117.600 118.700 -0.233 0.000 2.886 1278 N HA -0.206 4.534 4.740 -0.000 0.000 0.223 1278 N C -0.044 175.409 175.510 -0.095 0.000 0.828 1278 N CA 1.750 54.715 53.050 -0.143 0.000 1.180 1278 N CB -1.260 37.171 38.487 -0.092 0.000 0.972 1278 N HN 0.501 nan 8.380 nan 0.000 0.616 1279 I N 2.710 123.241 120.570 -0.065 0.000 2.349 1279 I HA 0.106 4.276 4.170 -0.000 0.000 0.302 1279 I C 1.297 177.424 176.117 0.017 0.000 1.180 1279 I CA 0.469 61.762 61.300 -0.012 0.000 1.405 1279 I CB -0.305 37.706 38.000 0.019 0.000 1.474 1279 I HN 0.092 nan 8.210 nan 0.000 0.632 1280 E N 5.394 125.593 120.200 -0.001 0.000 4.019 1280 E HA 0.275 4.625 4.350 -0.000 0.000 0.547 1280 E C 0.428 177.041 176.600 0.021 0.000 0.480 1280 E CA -0.334 56.077 56.400 0.019 0.000 3.361 1280 E CB 0.236 29.933 29.700 -0.005 0.000 2.299 1280 E HN 0.332 nan 8.360 nan 0.000 0.456 1281 R N -0.604 119.893 120.500 -0.006 0.000 2.492 1281 R HA 0.049 4.389 4.340 -0.000 0.000 0.272 1281 R C -0.784 175.530 176.300 0.022 0.000 0.965 1281 R CA 0.365 56.449 56.100 -0.026 0.000 1.093 1281 R CB -0.259 30.003 30.300 -0.062 0.000 0.868 1281 R HN 0.070 nan 8.270 nan 0.000 0.425 1282 V N 2.644 122.603 119.914 0.075 0.000 2.777 1282 V HA 0.330 4.450 4.120 -0.000 0.000 0.306 1282 V C -0.600 175.594 176.094 0.166 0.000 1.112 1282 V CA -0.787 61.572 62.300 0.100 0.000 0.917 1282 V CB 2.337 34.215 31.823 0.092 0.000 1.018 1282 V HN 0.469 nan 8.190 nan 0.000 0.426 1283 V N 4.835 124.813 119.914 0.106 0.000 2.823 1283 V HA 0.560 4.680 4.120 -0.000 0.000 0.312 1283 V C -0.092 176.042 176.094 0.067 0.000 1.072 1283 V CA -0.689 61.685 62.300 0.123 0.000 0.937 1283 V CB 2.199 34.085 31.823 0.105 0.000 1.013 1283 V HN 0.832 nan 8.190 nan 0.000 0.430 1284 M N 4.584 124.240 119.600 0.093 0.000 2.274 1284 M HA 0.604 5.083 4.480 -0.000 0.000 0.344 1284 M C -0.753 175.632 176.300 0.142 0.000 1.161 1284 M CA -0.011 55.375 55.300 0.143 0.000 1.126 1284 M CB 1.276 34.004 32.600 0.213 0.000 1.522 1284 M HN 0.381 nan 8.290 nan 0.000 0.461 1285 M N 2.037 121.656 119.600 0.032 0.000 2.433 1285 M HA 0.322 4.802 4.480 -0.000 0.000 0.290 1285 M C -1.001 174.995 176.300 -0.506 0.000 1.173 1285 M CA -0.540 54.629 55.300 -0.218 0.000 0.905 1285 M CB 2.282 34.674 32.600 -0.347 0.000 1.692 1285 M HN 0.553 nan 8.290 nan 0.000 0.462 1286 K N 2.928 122.951 120.400 -0.628 0.000 2.360 1286 K HA 0.379 4.699 4.320 -0.000 0.000 0.235 1286 K C -1.198 175.236 176.600 -0.276 0.000 1.077 1286 K CA -0.103 55.690 56.287 -0.824 0.000 1.035 1286 K CB 0.366 32.185 32.500 -1.135 0.000 1.623 1286 K HN 0.601 nan 8.250 nan 0.000 0.462 1287 Y N 1.107 121.272 120.300 -0.225 0.000 2.397 1287 Y HA -0.034 4.516 4.550 -0.000 0.000 0.335 1287 Y C 0.885 176.733 175.900 -0.086 0.000 1.213 1287 Y CA -0.783 57.258 58.100 -0.098 0.000 1.391 1287 Y CB 0.702 39.163 38.460 0.002 0.000 1.293 1287 Y HN 0.404 nan 8.280 nan 0.000 0.557 1288 D N 3.460 123.920 120.400 0.100 0.000 2.249 1288 D HA 0.176 4.816 4.640 -0.000 0.000 0.246 1288 D C -0.638 175.696 176.300 0.056 0.000 1.114 1288 D CA -0.202 53.822 54.000 0.040 0.000 0.854 1288 D CB 0.855 41.660 40.800 0.009 0.000 1.132 1288 D HN 0.490 nan 8.370 nan 0.000 0.461 1289 R N 3.135 123.672 120.500 0.061 0.000 2.538 1289 R HA 0.275 4.615 4.340 -0.000 0.000 0.292 1289 R C -0.695 175.644 176.300 0.065 0.000 1.008 1289 R CA -0.725 55.414 56.100 0.066 0.000 0.896 1289 R CB 1.256 31.611 30.300 0.092 0.000 1.187 1289 R HN 0.227 nan 8.270 nan 0.000 0.440 1290 K N 2.257 122.706 120.400 0.082 0.000 2.218 1290 K HA 0.462 4.782 4.320 -0.000 0.000 0.276 1290 K C -0.952 175.753 176.600 0.175 0.000 1.022 1290 K CA -0.510 55.863 56.287 0.142 0.000 0.946 1290 K CB 1.897 34.500 32.500 0.172 0.000 1.000 1290 K HN 0.280 nan 8.250 nan 0.000 0.468 1291 V N 3.409 123.401 119.914 0.130 0.000 3.167 1291 V HA 0.259 4.379 4.120 -0.000 0.000 0.293 1291 V C -2.734 173.173 176.094 -0.311 0.000 1.379 1291 V CA -2.231 60.036 62.300 -0.054 0.000 1.019 1291 V CB 2.563 34.361 31.823 -0.042 0.000 1.115 1291 V HN 0.545 nan 8.190 nan 0.000 0.442 1292 P HA 0.167 nan 4.420 nan 0.000 0.265 1292 P C -0.389 176.750 177.300 -0.268 0.000 1.222 1292 P CA 0.644 63.390 63.100 -0.590 0.000 0.767 1292 P CB 0.562 31.947 31.700 -0.525 0.000 0.801 1293 S N 5.727 121.314 115.700 -0.189 0.000 2.589 1293 S HA 0.137 4.607 4.470 -0.000 0.000 0.265 1293 S C -0.884 173.663 174.600 -0.088 0.000 1.342 1293 S CA -1.096 57.048 58.200 -0.093 0.000 1.005 1293 S CB -0.227 62.945 63.200 -0.047 0.000 0.909 1293 S HN 0.339 nan 8.310 nan 0.000 0.555 1294 P HA -0.047 nan 4.420 nan 0.000 0.221 1294 P C 1.329 178.606 177.300 -0.038 0.000 1.150 1294 P CA 1.420 64.492 63.100 -0.047 0.000 0.800 1294 P CB -0.448 31.235 31.700 -0.028 0.000 0.787 1295 T N -3.768 110.770 114.554 -0.027 0.000 3.118 1295 T HA 0.282 4.632 4.350 -0.000 0.000 0.260 1295 T C 1.413 176.109 174.700 -0.007 0.000 1.139 1295 T CA 1.465 63.560 62.100 -0.008 0.000 1.085 1295 T CB -0.469 68.402 68.868 0.005 0.000 0.934 1295 T HN 0.285 nan 8.240 nan 0.000 0.518 1296 G N 0.929 109.707 108.800 -0.036 0.000 2.981 1296 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.199 1296 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.199 1296 G C -0.208 174.677 174.900 -0.025 0.000 1.586 1296 G CA -0.145 44.934 45.100 -0.035 0.000 1.162 1296 G HN 0.681 nan 8.290 nan 0.000 0.538 1297 E N 0.518 120.735 120.200 0.028 0.000 2.468 1297 E HA 0.432 4.782 4.350 -0.000 0.000 0.263 1297 E C -0.482 176.158 176.600 0.066 0.000 1.192 1297 E CA 0.170 56.625 56.400 0.091 0.000 1.016 1297 E CB 0.269 30.017 29.700 0.081 0.000 0.980 1297 E HN 0.449 nan 8.360 nan 0.000 0.467 1298 Y N -0.652 119.652 120.300 0.007 0.000 2.361 1298 Y HA 0.489 5.039 4.550 -0.000 0.000 0.332 1298 Y C -0.146 175.756 175.900 0.004 0.000 1.101 1298 Y CA -0.579 57.523 58.100 0.003 0.000 1.137 1298 Y CB 1.329 39.791 38.460 0.004 0.000 1.207 1298 Y HN 0.171 nan 8.280 nan 0.000 0.463 1299 V N 1.988 121.968 119.914 0.110 0.000 3.114 1299 V HA 0.346 4.466 4.120 -0.000 0.000 0.308 1299 V C -1.008 175.124 176.094 0.063 0.000 1.168 1299 V CA -2.005 60.339 62.300 0.073 0.000 1.015 1299 V CB 2.218 34.062 31.823 0.034 0.000 1.050 1299 V HN 0.521 nan 8.190 nan 0.000 0.433 1300 K N 2.005 122.434 120.400 0.049 0.000 2.336 1300 K HA 0.216 4.536 4.320 -0.000 0.000 0.290 1300 K C -0.082 176.536 176.600 0.030 0.000 1.067 1300 K CA 0.297 56.607 56.287 0.038 0.000 0.962 1300 K CB 0.469 32.985 32.500 0.027 0.000 1.008 1300 K HN 0.704 nan 8.250 nan 0.000 0.467 1301 E N 5.359 125.578 120.200 0.033 0.000 3.167 1301 E HA 0.133 4.483 4.350 -0.000 0.000 0.212 1301 E C -2.277 174.342 176.600 0.032 0.000 1.143 1301 E CA -2.247 54.171 56.400 0.030 0.000 1.002 1301 E CB 0.491 30.206 29.700 0.025 0.000 1.315 1301 E HN 0.310 nan 8.360 nan 0.000 0.422 1302 P HA -0.124 nan 4.420 nan 0.000 0.261 1302 P C -0.746 176.540 177.300 -0.024 0.000 1.173 1302 P CA 0.691 63.781 63.100 -0.018 0.000 0.760 1302 P CB 0.553 32.214 31.700 -0.064 0.000 0.783 1303 E N 2.496 122.684 120.200 -0.021 0.000 2.320 1303 E HA 0.480 4.830 4.350 -0.000 0.000 0.264 1303 E C -1.239 175.283 176.600 -0.130 0.000 0.923 1303 E CA -1.053 55.359 56.400 0.021 0.000 0.796 1303 E CB 0.941 30.715 29.700 0.123 0.000 1.262 1303 E HN 0.249 nan 8.360 nan 0.000 0.428 1304 W N 1.059 122.352 121.300 -0.012 0.000 2.381 1304 W HA 0.530 5.190 4.660 -0.000 0.000 0.329 1304 W C -0.774 175.648 176.519 -0.161 0.000 1.157 1304 W CA -0.208 57.081 57.345 -0.093 0.000 1.240 1304 W CB 1.711 31.134 29.460 -0.061 0.000 1.199 1304 W HN 0.273 nan 8.180 nan 0.000 0.579 1305 V N 3.692 123.515 119.914 -0.150 0.000 3.012 1305 V HA 0.392 4.512 4.120 -0.000 0.000 0.307 1305 V C -0.567 175.356 176.094 -0.286 0.000 1.166 1305 V CA -1.272 60.831 62.300 -0.329 0.000 0.974 1305 V CB 1.786 33.154 31.823 -0.757 0.000 1.040 1305 V HN 0.305 nan 8.190 nan 0.000 0.428 1306 L N 2.858 123.961 121.223 -0.199 0.000 2.309 1306 L HA 0.615 4.955 4.340 -0.000 0.000 0.282 1306 L C -0.058 176.740 176.870 -0.120 0.000 1.036 1306 L CA -0.400 54.374 54.840 -0.111 0.000 0.806 1306 L CB 1.402 43.432 42.059 -0.047 0.000 1.220 1306 L HN 0.641 nan 8.230 nan 0.000 0.429 1307 E N 1.918 122.081 120.200 -0.061 0.000 2.129 1307 E HA 0.240 4.590 4.350 -0.000 0.000 0.268 1307 E C -0.332 176.267 176.600 -0.001 0.000 0.900 1307 E CA -0.399 55.988 56.400 -0.021 0.000 0.755 1307 E CB 2.230 31.941 29.700 0.019 0.000 1.117 1307 E HN 0.512 nan 8.360 nan 0.000 0.410 1308 T N 1.067 115.617 114.554 -0.006 0.000 3.193 1308 T HA -0.057 4.293 4.350 -0.000 0.000 0.407 1308 T C 0.267 174.967 174.700 -0.001 0.000 1.146 1308 T CA 0.484 62.584 62.100 -0.001 0.000 1.085 1308 T CB 0.224 69.087 68.868 -0.009 0.000 1.424 1308 T HN 0.546 nan 8.240 nan 0.000 0.521 1309 D N -0.579 119.817 120.400 -0.007 0.000 3.964 1309 D HA 0.278 4.918 4.640 -0.000 0.000 0.269 1309 D C -0.415 175.872 176.300 -0.021 0.000 1.500 1309 D CA 0.228 54.221 54.000 -0.012 0.000 0.770 1309 D CB -0.316 40.478 40.800 -0.009 0.000 1.356 1309 D HN 0.846 nan 8.370 nan 0.000 0.755 1310 G N -0.572 108.212 108.800 -0.027 0.000 2.355 1310 G HA2 0.388 4.348 3.960 -0.000 0.000 0.296 1310 G HA3 0.388 4.348 3.960 -0.000 0.000 0.296 1310 G C -1.924 172.953 174.900 -0.039 0.000 1.507 1310 G CA -0.428 44.650 45.100 -0.037 0.000 0.823 1310 G HN 0.025 nan 8.290 nan 0.000 0.569 1311 V N 1.731 121.617 119.914 -0.046 0.000 2.482 1311 V HA 0.652 4.772 4.120 -0.000 0.000 0.295 1311 V C -0.871 175.200 176.094 -0.038 0.000 1.026 1311 V CA -0.964 61.309 62.300 -0.044 0.000 0.856 1311 V CB 1.755 33.544 31.823 -0.056 0.000 1.001 1311 V HN 0.717 nan 8.190 nan 0.000 0.424 1312 N N 3.951 122.636 118.700 -0.025 0.000 2.519 1312 N HA 0.389 5.129 4.740 -0.000 0.000 0.286 1312 N C -0.119 175.389 175.510 -0.003 0.000 1.079 1312 N CA -0.421 52.619 53.050 -0.017 0.000 0.878 1312 N CB 2.175 40.652 38.487 -0.016 0.000 1.375 1312 N HN 0.496 nan 8.380 nan 0.000 0.514 1313 L N 3.121 124.345 121.223 0.001 0.000 2.276 1313 L HA 0.203 4.543 4.340 -0.000 0.000 0.194 1313 L C 2.082 178.966 176.870 0.022 0.000 1.099 1313 L CA 1.490 56.340 54.840 0.017 0.000 0.800 1313 L CB -0.963 41.109 42.059 0.023 0.000 0.994 1313 L HN 0.679 nan 8.230 nan 0.000 0.475 1314 S N -0.880 114.830 115.700 0.018 0.000 2.481 1314 S HA -0.206 4.264 4.470 -0.000 0.000 0.253 1314 S C 1.383 175.994 174.600 0.018 0.000 0.998 1314 S CA 1.586 59.797 58.200 0.019 0.000 0.972 1314 S CB -0.556 62.651 63.200 0.012 0.000 0.751 1314 S HN 0.627 nan 8.310 nan 0.000 0.515 1315 E N 0.602 120.812 120.200 0.017 0.000 2.307 1315 E HA 0.145 4.495 4.350 -0.000 0.000 0.192 1315 E C 1.960 178.574 176.600 0.023 0.000 0.967 1315 E CA 0.723 57.133 56.400 0.017 0.000 1.042 1315 E CB -0.389 29.318 29.700 0.012 0.000 1.126 1315 E HN 0.374 nan 8.360 nan 0.000 0.484 1316 V N 2.611 122.538 119.914 0.023 0.000 3.244 1316 V HA -0.199 3.921 4.120 -0.000 0.000 0.273 1316 V C 2.185 178.302 176.094 0.039 0.000 1.180 1316 V CA 1.355 63.672 62.300 0.028 0.000 1.182 1316 V CB -0.912 30.926 31.823 0.025 0.000 0.796 1316 V HN 0.260 nan 8.190 nan 0.000 0.543 1317 M N 1.227 120.851 119.600 0.040 0.000 2.412 1317 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 1317 M C 2.283 178.610 176.300 0.045 0.000 1.122 1317 M CA 1.870 57.200 55.300 0.049 0.000 1.179 1317 M CB -0.016 32.614 32.600 0.050 0.000 1.335 1317 M HN 0.472 nan 8.290 nan 0.000 0.465 1318 T N -0.816 113.759 114.554 0.036 0.000 3.113 1318 T HA 0.105 4.455 4.350 -0.000 0.000 0.263 1318 T C 0.563 175.281 174.700 0.031 0.000 1.143 1318 T CA -0.059 62.060 62.100 0.032 0.000 1.090 1318 T CB -1.136 67.747 68.868 0.025 0.000 0.922 1318 T HN 0.175 nan 8.240 nan 0.000 0.521 1319 V N 4.577 124.511 119.914 0.033 0.000 2.740 1319 V HA 0.228 4.348 4.120 -0.000 0.000 0.303 1319 V C -1.643 174.475 176.094 0.039 0.000 1.054 1319 V CA -1.634 60.685 62.300 0.032 0.000 1.106 1319 V CB 0.455 32.297 31.823 0.032 0.000 0.957 1319 V HN 0.417 nan 8.190 nan 0.000 0.486 1320 P HA 0.364 nan 4.420 nan 0.000 0.282 1320 P C 0.591 177.923 177.300 0.054 0.000 1.249 1320 P CA 0.518 63.644 63.100 0.042 0.000 0.806 1320 P CB 1.519 33.235 31.700 0.027 0.000 0.984 1321 G N 1.889 110.743 108.800 0.091 0.000 2.176 1321 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.232 1321 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.232 1321 G C 0.103 175.098 174.900 0.159 0.000 0.986 1321 G CA 0.242 45.425 45.100 0.139 0.000 0.643 1321 G HN 0.748 nan 8.290 nan 0.000 0.522 1322 I N -2.620 118.017 120.570 0.112 0.000 3.100 1322 I HA 0.822 4.992 4.170 -0.000 0.000 0.312 1322 I C -1.081 175.092 176.117 0.093 0.000 1.063 1322 I CA -1.253 60.109 61.300 0.104 0.000 1.031 1322 I CB 2.080 40.134 38.000 0.089 0.000 1.243 1322 I HN -0.106 nan 8.210 nan 0.000 0.483 1323 D N 3.918 124.382 120.400 0.108 0.000 2.443 1323 D HA 0.322 4.962 4.640 -0.000 0.000 0.221 1323 D C -1.948 174.413 176.300 0.101 0.000 1.097 1323 D CA -2.014 52.039 54.000 0.088 0.000 0.865 1323 D CB 1.540 42.395 40.800 0.092 0.000 1.034 1323 D HN 0.392 nan 8.370 nan 0.000 0.511 1324 P HA 0.031 nan 4.420 nan 0.000 0.256 1324 P C 0.754 178.095 177.300 0.068 0.000 1.335 1324 P CA 0.204 63.349 63.100 0.075 0.000 0.808 1324 P CB 0.489 32.223 31.700 0.058 0.000 1.305 1325 T N -0.816 113.774 114.554 0.060 0.000 2.959 1325 T HA 0.227 4.577 4.350 -0.000 0.000 0.254 1325 T C 1.379 176.096 174.700 0.029 0.000 1.003 1325 T CA 0.208 62.329 62.100 0.035 0.000 0.950 1325 T CB 0.188 69.061 68.868 0.008 0.000 1.090 1325 T HN 0.103 nan 8.240 nan 0.000 0.503 1326 R N 0.332 120.865 120.500 0.055 0.000 2.508 1326 R HA 0.447 4.787 4.340 -0.000 0.000 0.300 1326 R C 0.452 176.910 176.300 0.264 0.000 0.970 1326 R CA -0.247 55.862 56.100 0.014 0.000 1.102 1326 R CB 0.727 30.902 30.300 -0.208 0.000 1.246 1326 R HN 0.344 nan 8.270 nan 0.000 0.539 1327 I N 1.237 121.978 120.570 0.284 0.000 2.813 1327 I HA -0.048 4.122 4.170 -0.000 0.000 0.287 1327 I C -0.990 175.355 176.117 0.380 0.000 1.196 1327 I CA 0.281 61.780 61.300 0.331 0.000 1.421 1327 I CB 0.402 38.520 38.000 0.196 0.000 1.365 1327 I HN 0.019 nan 8.210 nan 0.000 0.591 1328 Y N 5.641 126.067 120.300 0.211 0.000 2.441 1328 Y HA 0.369 4.919 4.550 -0.000 0.000 0.334 1328 Y C -0.895 175.080 175.900 0.125 0.000 1.061 1328 Y CA -0.778 57.425 58.100 0.170 0.000 1.032 1328 Y CB 1.748 40.336 38.460 0.214 0.000 1.266 1328 Y HN 0.527 nan 8.280 nan 0.000 0.441 1329 T N 4.782 119.065 114.554 -0.452 0.000 2.841 1329 T HA 0.239 4.589 4.350 -0.000 0.000 0.283 1329 T C 0.667 174.931 174.700 -0.726 0.000 1.000 1329 T CA -0.430 61.393 62.100 -0.462 0.000 0.977 1329 T CB 0.581 69.344 68.868 -0.175 0.000 0.979 1329 T HN 0.796 nan 8.240 nan 0.000 0.446 1330 N N 2.490 120.892 118.700 -0.495 0.000 2.309 1330 N HA -0.056 4.684 4.740 -0.000 0.000 0.182 1330 N C 0.967 176.434 175.510 -0.071 0.000 1.018 1330 N CA 0.480 53.368 53.050 -0.270 0.000 0.876 1330 N CB -0.130 38.299 38.487 -0.096 0.000 0.972 1330 N HN 0.335 nan 8.380 nan 0.000 0.434 1331 S N 0.416 116.040 115.700 -0.126 0.000 3.024 1331 S HA 0.059 4.529 4.470 -0.000 0.000 0.316 1331 S C 0.638 175.163 174.600 -0.126 0.000 1.197 1331 S CA -0.818 57.287 58.200 -0.158 0.000 1.097 1331 S CB -1.151 61.954 63.200 -0.160 0.000 1.471 1331 S HN 0.379 nan 8.310 nan 0.000 0.543 1332 F N 3.781 123.738 119.950 0.011 0.000 2.451 1332 F HA 0.058 4.585 4.527 -0.000 0.000 0.299 1332 F C 1.538 177.368 175.800 0.049 0.000 1.101 1332 F CA 0.251 58.287 58.000 0.060 0.000 1.436 1332 F CB -0.457 38.600 39.000 0.096 0.000 1.074 1332 F HN 0.454 nan 8.300 nan 0.000 0.553 1333 I N 1.592 121.808 120.570 -0.590 0.000 2.264 1333 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 1333 I C 1.884 177.943 176.117 -0.095 0.000 1.111 1333 I CA 1.592 62.697 61.300 -0.325 0.000 1.382 1333 I CB -0.813 36.957 38.000 -0.383 0.000 1.060 1333 I HN 0.290 nan 8.210 nan 0.000 0.418 1334 D N 0.408 120.756 120.400 -0.087 0.000 2.106 1334 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 1334 D C 2.265 178.586 176.300 0.035 0.000 0.977 1334 D CA 0.970 54.955 54.000 -0.025 0.000 0.844 1334 D CB -0.081 40.697 40.800 -0.037 0.000 1.002 1334 D HN 0.275 nan 8.370 nan 0.000 0.461 1335 I N 1.401 122.016 120.570 0.074 0.000 2.300 1335 I HA -0.280 3.890 4.170 -0.000 0.000 0.252 1335 I C 2.573 178.767 176.117 0.127 0.000 1.119 1335 I CA 0.777 62.154 61.300 0.128 0.000 1.384 1335 I CB -0.207 37.920 38.000 0.211 0.000 1.062 1335 I HN 0.081 nan 8.210 nan 0.000 0.426 1336 M N 0.607 120.289 119.600 0.136 0.000 2.175 1336 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 1336 M C 1.984 178.335 176.300 0.085 0.000 1.063 1336 M CA 1.995 57.373 55.300 0.130 0.000 1.119 1336 M CB -0.347 32.348 32.600 0.158 0.000 1.377 1336 M HN 0.267 nan 8.290 nan 0.000 0.415 1337 E N -1.057 119.180 120.200 0.062 0.000 2.170 1337 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 1337 E C 1.973 178.598 176.600 0.042 0.000 0.981 1337 E CA 0.879 57.305 56.400 0.043 0.000 0.830 1337 E CB 0.189 29.904 29.700 0.025 0.000 0.775 1337 E HN 0.349 nan 8.360 nan 0.000 0.470 1338 V N 1.005 120.947 119.914 0.047 0.000 2.341 1338 V HA -0.098 4.022 4.120 -0.000 0.000 0.240 1338 V C 1.970 178.095 176.094 0.051 0.000 1.035 1338 V CA 1.059 63.386 62.300 0.045 0.000 1.033 1338 V CB -0.167 31.684 31.823 0.047 0.000 0.678 1338 V HN 0.203 nan 8.190 nan 0.000 0.464 1339 L N 0.380 121.642 121.223 0.065 0.000 2.591 1339 L HA 0.463 4.803 4.340 -0.000 0.000 0.228 1339 L C 0.971 177.877 176.870 0.060 0.000 1.133 1339 L CA 0.634 55.513 54.840 0.065 0.000 0.880 1339 L CB -0.608 41.499 42.059 0.080 0.000 1.033 1339 L HN 0.549 nan 8.230 nan 0.000 0.450 1340 G N 0.234 109.071 108.800 0.062 0.000 2.675 1340 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 1340 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 1340 G C 0.287 175.229 174.900 0.070 0.000 1.215 1340 G CA -0.201 44.933 45.100 0.058 0.000 0.777 1340 G HN 0.052 nan 8.290 nan 0.000 0.638 1341 I N 0.242 120.853 120.570 0.068 0.000 2.194 1341 I HA -0.156 4.014 4.170 -0.000 0.000 0.246 1341 I C 2.490 178.652 176.117 0.075 0.000 1.093 1341 I CA 2.199 63.546 61.300 0.078 0.000 1.355 1341 I CB -0.027 38.016 38.000 0.071 0.000 1.046 1341 I HN 0.711 nan 8.210 nan 0.000 0.413 1342 E N 0.943 121.179 120.200 0.060 0.000 2.085 1342 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 1342 E C 2.165 178.799 176.600 0.057 0.000 0.994 1342 E CA 1.542 57.974 56.400 0.052 0.000 0.801 1342 E CB -0.330 29.393 29.700 0.038 0.000 0.743 1342 E HN 0.647 nan 8.360 nan 0.000 0.453 1343 A N 0.618 123.476 122.820 0.064 0.000 2.067 1343 A HA -0.016 4.304 4.320 -0.000 0.000 0.219 1343 A C 2.357 180.009 177.584 0.113 0.000 1.158 1343 A CA 1.609 53.692 52.037 0.076 0.000 0.661 1343 A CB -0.698 18.350 19.000 0.079 0.000 0.801 1343 A HN 0.320 nan 8.150 nan 0.000 0.452 1344 G N -0.541 108.333 108.800 0.122 0.000 2.434 1344 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.214 1344 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.214 1344 G C 1.716 176.691 174.900 0.125 0.000 1.202 1344 G CA 0.801 46.001 45.100 0.167 0.000 0.788 1344 G HN 0.471 nan 8.290 nan 0.000 0.539 1345 R N 0.574 121.124 120.500 0.083 0.000 2.119 1345 R HA -0.161 4.179 4.340 -0.000 0.000 0.246 1345 R C 2.869 179.207 176.300 0.064 0.000 1.146 1345 R CA 1.661 57.791 56.100 0.050 0.000 0.962 1345 R CB -0.462 29.866 30.300 0.048 0.000 0.863 1345 R HN 0.325 nan 8.270 nan 0.000 0.442 1346 A N 0.464 123.325 122.820 0.068 0.000 1.865 1346 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 1346 A C 2.352 180.000 177.584 0.108 0.000 1.191 1346 A CA 1.950 54.023 52.037 0.060 0.000 0.623 1346 A CB -0.803 18.214 19.000 0.027 0.000 0.826 1346 A HN 0.525 nan 8.150 nan 0.000 0.444 1347 A N -0.618 122.291 122.820 0.149 0.000 1.877 1347 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 1347 A C 2.127 179.811 177.584 0.167 0.000 1.186 1347 A CA 1.753 53.946 52.037 0.260 0.000 0.620 1347 A CB -0.710 18.554 19.000 0.440 0.000 0.822 1347 A HN 0.777 nan 8.150 nan 0.000 0.443 1348 L N -1.184 120.029 121.223 -0.016 0.000 2.013 1348 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 1348 L C 2.259 179.043 176.870 -0.144 0.000 1.073 1348 L CA 2.656 57.278 54.840 -0.362 0.000 0.753 1348 L CB -1.151 40.643 42.059 -0.441 0.000 0.890 1348 L HN 0.563 nan 8.230 nan 0.000 0.432 1349 Y N 0.389 120.627 120.300 -0.104 0.000 2.089 1349 Y HA -0.301 4.249 4.550 -0.000 0.000 0.282 1349 Y C 2.804 178.724 175.900 0.034 0.000 1.139 1349 Y CA 2.412 60.484 58.100 -0.046 0.000 1.123 1349 Y CB -0.316 38.122 38.460 -0.037 0.000 0.980 1349 Y HN 0.235 nan 8.280 nan 0.000 0.493 1350 K N -0.027 120.585 120.400 0.354 0.000 2.107 1350 K HA -0.341 3.978 4.320 -0.000 0.000 0.211 1350 K C 2.040 178.718 176.600 0.130 0.000 1.049 1350 K CA 2.211 58.627 56.287 0.215 0.000 0.927 1350 K CB -0.248 32.306 32.500 0.089 0.000 0.714 1350 K HN 0.335 nan 8.250 nan 0.000 0.452 1351 E N 0.047 120.330 120.200 0.138 0.000 2.015 1351 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 1351 E C 1.877 178.508 176.600 0.051 0.000 0.991 1351 E CA 1.381 57.858 56.400 0.129 0.000 0.802 1351 E CB -0.240 29.551 29.700 0.151 0.000 0.759 1351 E HN 0.145 nan 8.360 nan 0.000 0.447 1352 V N 0.762 120.644 119.914 -0.054 0.000 2.282 1352 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 1352 V C 2.216 178.263 176.094 -0.077 0.000 1.057 1352 V CA 2.335 64.573 62.300 -0.104 0.000 1.032 1352 V CB -0.827 30.871 31.823 -0.208 0.000 0.645 1352 V HN 0.441 nan 8.190 nan 0.000 0.447 1353 Y N 1.629 121.738 120.300 -0.317 0.000 2.081 1353 Y HA -0.326 4.224 4.550 -0.000 0.000 0.280 1353 Y C 2.700 178.548 175.900 -0.085 0.000 1.163 1353 Y CA 2.074 60.016 58.100 -0.264 0.000 1.135 1353 Y CB -0.227 38.041 38.460 -0.320 0.000 0.970 1353 Y HN 0.321 nan 8.280 nan 0.000 0.498 1354 N N 0.237 119.171 118.700 0.391 0.000 2.149 1354 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 1354 N C 1.875 177.476 175.510 0.152 0.000 1.019 1354 N CA 1.663 54.881 53.050 0.280 0.000 0.857 1354 N CB -0.688 37.894 38.487 0.158 0.000 0.997 1354 N HN 0.318 nan 8.380 nan 0.000 0.426 1355 V N 1.768 121.735 119.914 0.088 0.000 2.392 1355 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 1355 V C 2.165 178.267 176.094 0.014 0.000 1.059 1355 V CA 1.271 63.595 62.300 0.040 0.000 1.051 1355 V CB -0.313 31.518 31.823 0.014 0.000 0.658 1355 V HN 0.257 nan 8.190 nan 0.000 0.455 1356 I N -0.225 120.336 120.570 -0.015 0.000 2.585 1356 I HA -0.026 4.144 4.170 -0.000 0.000 0.254 1356 I C 2.476 178.570 176.117 -0.039 0.000 1.129 1356 I CA 1.083 62.348 61.300 -0.058 0.000 1.455 1356 I CB -0.434 37.486 38.000 -0.133 0.000 1.111 1356 I HN 0.245 nan 8.210 nan 0.000 0.433 1357 A N 0.790 123.607 122.820 -0.006 0.000 2.021 1357 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 1357 A C 2.454 180.081 177.584 0.071 0.000 1.163 1357 A CA 1.361 53.427 52.037 0.049 0.000 0.676 1357 A CB -0.553 18.576 19.000 0.214 0.000 0.818 1357 A HN 0.472 nan 8.150 nan 0.000 0.453 1358 S N -0.193 115.552 115.700 0.075 0.000 2.399 1358 S HA -0.196 4.274 4.470 -0.000 0.000 0.231 1358 S C 1.527 176.147 174.600 0.034 0.000 1.022 1358 S CA 1.459 59.692 58.200 0.056 0.000 0.983 1358 S CB -0.453 62.779 63.200 0.054 0.000 0.803 1358 S HN 0.566 nan 8.310 nan 0.000 0.480 1359 D N 1.217 121.630 120.400 0.023 0.000 2.347 1359 D HA 0.097 4.737 4.640 -0.000 0.000 0.215 1359 D C 1.256 177.564 176.300 0.013 0.000 0.976 1359 D CA 0.864 54.871 54.000 0.012 0.000 0.884 1359 D CB -0.166 40.635 40.800 0.000 0.000 0.915 1359 D HN 0.672 nan 8.370 nan 0.000 0.526 1360 G N 0.703 109.514 108.800 0.019 0.000 2.132 1360 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.228 1360 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.228 1360 G C 0.161 175.074 174.900 0.021 0.000 1.000 1360 G CA 0.384 45.496 45.100 0.020 0.000 0.693 1360 G HN 0.315 nan 8.290 nan 0.000 0.515 1361 S N -0.862 114.847 115.700 0.016 0.000 2.718 1361 S HA 0.785 5.254 4.470 -0.000 0.000 0.300 1361 S C -0.876 173.765 174.600 0.068 0.000 1.117 1361 S CA -0.648 57.565 58.200 0.022 0.000 1.002 1361 S CB 2.086 65.277 63.200 -0.016 0.000 1.092 1361 S HN 0.852 nan 8.310 nan 0.000 0.542 1362 Y N 0.749 121.000 120.300 -0.081 0.000 2.406 1362 Y HA 0.654 5.204 4.550 -0.000 0.000 0.340 1362 Y C -1.578 174.277 175.900 -0.074 0.000 0.975 1362 Y CA -1.479 56.562 58.100 -0.100 0.000 1.056 1362 Y CB 0.938 39.358 38.460 -0.067 0.000 1.210 1362 Y HN 0.378 nan 8.280 nan 0.000 0.448 1363 V N 7.001 126.647 119.914 -0.446 0.000 2.525 1363 V HA 0.226 4.346 4.120 -0.000 0.000 0.299 1363 V C -0.243 175.572 176.094 -0.465 0.000 1.034 1363 V CA -1.328 60.697 62.300 -0.457 0.000 0.863 1363 V CB 1.597 33.313 31.823 -0.177 0.000 0.999 1363 V HN 0.847 nan 8.190 nan 0.000 0.423 1364 N N 3.492 121.884 118.700 -0.514 0.000 2.365 1364 N HA -0.114 4.626 4.740 -0.000 0.000 0.265 1364 N C 1.189 176.723 175.510 0.040 0.000 1.288 1364 N CA 0.563 53.523 53.050 -0.149 0.000 0.869 1364 N CB 0.351 38.746 38.487 -0.153 0.000 1.071 1364 N HN 0.805 nan 8.380 nan 0.000 0.480 1365 Y N 5.984 126.368 120.300 0.140 0.000 2.100 1365 Y HA -0.444 4.106 4.550 -0.000 0.000 0.267 1365 Y C 2.248 178.180 175.900 0.052 0.000 1.250 1365 Y CA 2.995 61.218 58.100 0.204 0.000 1.105 1365 Y CB -0.126 38.475 38.460 0.236 0.000 0.924 1365 Y HN 0.767 nan 8.280 nan 0.000 0.508 1366 R N -0.983 119.594 120.500 0.127 0.000 2.174 1366 R HA -0.266 4.074 4.340 -0.000 0.000 0.253 1366 R C 1.759 177.923 176.300 -0.227 0.000 1.165 1366 R CA 1.918 57.922 56.100 -0.161 0.000 0.984 1366 R CB -1.219 28.819 30.300 -0.437 0.000 0.873 1366 R HN 0.488 nan 8.270 nan 0.000 0.456 1367 H N 1.125 120.171 119.070 -0.041 0.000 2.261 1367 H HA 0.020 4.576 4.556 -0.000 0.000 0.301 1367 H C 2.313 177.579 175.328 -0.102 0.000 1.067 1367 H CA 1.933 57.948 56.048 -0.055 0.000 1.297 1367 H CB -0.462 29.260 29.762 -0.067 0.000 1.377 1367 H HN 0.237 nan 8.280 nan 0.000 0.492 1368 M N 0.346 119.936 119.600 -0.017 0.000 2.159 1368 M HA -0.091 4.388 4.480 -0.000 0.000 0.263 1368 M C 2.736 178.974 176.300 -0.104 0.000 1.063 1368 M CA 1.344 56.570 55.300 -0.124 0.000 1.110 1368 M CB -0.298 32.130 32.600 -0.287 0.000 1.374 1368 M HN 0.234 nan 8.290 nan 0.000 0.411 1369 A N 1.037 123.753 122.820 -0.172 0.000 1.869 1369 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 1369 A C 2.205 179.727 177.584 -0.103 0.000 1.203 1369 A CA 1.638 53.522 52.037 -0.256 0.000 0.638 1369 A CB -1.091 17.533 19.000 -0.627 0.000 0.831 1369 A HN 0.455 nan 8.150 nan 0.000 0.450 1370 L N -0.688 120.491 121.223 -0.073 0.000 2.013 1370 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 1370 L C 2.487 179.340 176.870 -0.029 0.000 1.073 1370 L CA 2.618 57.449 54.840 -0.015 0.000 0.753 1370 L CB -1.190 40.899 42.059 0.051 0.000 0.890 1370 L HN 0.480 nan 8.230 nan 0.000 0.432 1371 L N -0.442 120.753 121.223 -0.047 0.000 1.970 1371 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 1371 L C 2.578 179.408 176.870 -0.067 0.000 1.071 1371 L CA 1.894 56.690 54.840 -0.074 0.000 0.751 1371 L CB -1.158 40.843 42.059 -0.097 0.000 0.889 1371 L HN 0.061 nan 8.230 nan 0.000 0.432 1372 V N 0.510 120.387 119.914 -0.062 0.000 2.278 1372 V HA -0.396 3.724 4.120 -0.000 0.000 0.251 1372 V C 2.460 178.540 176.094 -0.024 0.000 1.062 1372 V CA 2.285 64.557 62.300 -0.047 0.000 1.038 1372 V CB -0.907 30.920 31.823 0.007 0.000 0.646 1372 V HN 0.554 nan 8.190 nan 0.000 0.447 1373 D N -0.203 120.188 120.400 -0.014 0.000 2.097 1373 D HA -0.133 4.507 4.640 -0.000 0.000 0.195 1373 D C 2.169 178.469 176.300 -0.001 0.000 0.989 1373 D CA 1.685 55.687 54.000 0.002 0.000 0.827 1373 D CB -0.125 40.679 40.800 0.006 0.000 0.966 1373 D HN 0.365 nan 8.370 nan 0.000 0.456 1374 V N 1.247 121.151 119.914 -0.017 0.000 2.469 1374 V HA -0.243 3.877 4.120 -0.000 0.000 0.251 1374 V C 2.471 178.563 176.094 -0.002 0.000 1.064 1374 V CA 1.273 63.562 62.300 -0.020 0.000 1.066 1374 V CB -0.404 31.388 31.823 -0.052 0.000 0.667 1374 V HN 0.208 nan 8.190 nan 0.000 0.461 1375 M N 0.218 119.814 119.600 -0.006 0.000 2.394 1375 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 1375 M C 2.072 178.398 176.300 0.043 0.000 1.073 1375 M CA 1.944 57.255 55.300 0.020 0.000 1.111 1375 M CB -0.291 32.308 32.600 -0.001 0.000 1.401 1375 M HN 0.665 nan 8.290 nan 0.000 0.448 1376 T N -4.422 110.153 114.554 0.034 0.000 3.000 1376 T HA 0.033 4.383 4.350 -0.000 0.000 0.248 1376 T C 1.757 176.488 174.700 0.051 0.000 1.034 1376 T CA 0.675 62.805 62.100 0.050 0.000 1.060 1376 T CB -0.684 68.213 68.868 0.049 0.000 0.983 1376 T HN 0.389 nan 8.240 nan 0.000 0.482 1377 T N 1.828 116.407 114.554 0.041 0.000 2.620 1377 T HA -0.366 3.984 4.350 -0.000 0.000 0.267 1377 T C 2.014 176.743 174.700 0.047 0.000 1.044 1377 T CA 1.896 64.021 62.100 0.043 0.000 1.161 1377 T CB -1.120 67.762 68.868 0.024 0.000 0.862 1377 T HN 0.447 nan 8.240 nan 0.000 0.438 1378 Q N 1.081 120.908 119.800 0.046 0.000 2.248 1378 Q HA 0.039 4.379 4.340 -0.000 0.000 0.208 1378 Q C 2.151 178.182 176.000 0.053 0.000 0.984 1378 Q CA 1.508 57.340 55.803 0.049 0.000 0.875 1378 Q CB -0.349 28.421 28.738 0.053 0.000 0.910 1378 Q HN 0.902 nan 8.270 nan 0.000 0.433 1379 G N -2.262 106.573 108.800 0.058 0.000 3.768 1379 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.214 1379 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.214 1379 G C 0.283 175.222 174.900 0.065 0.000 1.058 1379 G CA -0.071 45.064 45.100 0.058 0.000 0.890 1379 G HN 0.512 nan 8.290 nan 0.000 0.393 1380 G N -0.306 108.537 108.800 0.072 0.000 3.259 1380 G HA2 0.577 4.537 3.960 -0.000 0.000 0.193 1380 G HA3 0.577 4.537 3.960 -0.000 0.000 0.193 1380 G C -0.975 173.988 174.900 0.105 0.000 1.457 1380 G CA -0.409 44.742 45.100 0.085 0.000 0.771 1380 G HN 0.556 nan 8.290 nan 0.000 0.765 1381 L N 1.941 123.236 121.223 0.120 0.000 2.345 1381 L HA 0.432 4.772 4.340 -0.000 0.000 0.274 1381 L C -0.676 176.275 176.870 0.135 0.000 0.999 1381 L CA -0.404 54.529 54.840 0.155 0.000 0.849 1381 L CB 1.930 44.128 42.059 0.231 0.000 1.220 1381 L HN 0.231 nan 8.230 nan 0.000 0.422 1382 T N 1.179 115.806 114.554 0.122 0.000 2.744 1382 T HA 0.252 4.602 4.350 -0.000 0.000 0.291 1382 T C 0.356 175.145 174.700 0.148 0.000 0.957 1382 T CA -0.508 61.670 62.100 0.130 0.000 1.002 1382 T CB 1.077 70.018 68.868 0.122 0.000 0.919 1382 T HN 0.614 nan 8.240 nan 0.000 0.468 1383 S N 2.126 117.929 115.700 0.172 0.000 2.565 1383 S HA 0.241 4.711 4.470 -0.000 0.000 0.276 1383 S C 0.561 175.309 174.600 0.247 0.000 1.326 1383 S CA -0.956 57.355 58.200 0.185 0.000 1.045 1383 S CB 0.639 63.951 63.200 0.186 0.000 0.918 1383 S HN 0.447 nan 8.310 nan 0.000 0.505 1384 V N 3.090 123.113 119.914 0.182 0.000 1.956 1384 V HA 0.255 4.375 4.120 -0.000 0.000 0.248 1384 V C 0.380 176.672 176.094 0.331 0.000 1.615 1384 V CA 0.120 62.530 62.300 0.182 0.000 1.558 1384 V CB -1.530 30.268 31.823 -0.042 0.000 1.529 1384 V HN 0.994 nan 8.190 nan 0.000 0.505 1385 T N 1.723 116.557 114.554 0.466 0.000 2.894 1385 T HA 0.276 4.626 4.350 -0.000 0.000 0.309 1385 T C 1.073 175.812 174.700 0.064 0.000 1.208 1385 T CA -0.706 61.558 62.100 0.273 0.000 1.016 1385 T CB 2.232 71.212 68.868 0.186 0.000 1.192 1385 T HN 0.586 nan 8.240 nan 0.000 0.491 1386 R N 1.208 121.691 120.500 -0.029 0.000 2.226 1386 R HA -0.192 4.147 4.340 -0.000 0.000 0.246 1386 R C 1.086 177.217 176.300 -0.283 0.000 1.161 1386 R CA 1.991 57.942 56.100 -0.248 0.000 0.997 1386 R CB -0.288 29.744 30.300 -0.448 0.000 0.870 1386 R HN 0.622 nan 8.270 nan 0.000 0.465 1387 H N -0.661 118.384 119.070 -0.041 0.000 2.384 1387 H HA 0.121 4.677 4.556 -0.000 0.000 0.300 1387 H C 1.847 177.161 175.328 -0.024 0.000 1.057 1387 H CA 1.248 57.280 56.048 -0.027 0.000 1.370 1387 H CB -0.342 29.426 29.762 0.010 0.000 1.417 1387 H HN 0.428 nan 8.280 nan 0.000 0.527 1388 G N 1.026 109.903 108.800 0.128 0.000 2.561 1388 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.208 1388 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.208 1388 G C 1.498 176.439 174.900 0.068 0.000 1.510 1388 G CA 0.551 45.726 45.100 0.124 0.000 0.941 1388 G HN 0.371 nan 8.290 nan 0.000 0.478 1389 F N 1.584 121.567 119.950 0.055 0.000 2.120 1389 F HA -0.092 4.435 4.527 -0.000 0.000 0.300 1389 F C 1.726 177.545 175.800 0.032 0.000 1.095 1389 F CA 1.584 59.596 58.000 0.021 0.000 1.249 1389 F CB -0.836 38.145 39.000 -0.033 0.000 0.995 1389 F HN 0.182 nan 8.300 nan 0.000 0.480 1390 N N 0.494 118.563 118.700 -1.052 0.000 2.617 1390 N HA -0.059 4.681 4.740 -0.000 0.000 0.198 1390 N C 0.568 175.958 175.510 -0.199 0.000 1.317 1390 N CA 0.254 52.951 53.050 -0.587 0.000 0.892 1390 N CB -0.254 37.919 38.487 -0.523 0.000 1.041 1390 N HN 0.351 nan 8.380 nan 0.000 0.450 1391 R N -0.887 119.545 120.500 -0.113 0.000 2.543 1391 R HA 0.190 4.530 4.340 -0.000 0.000 0.323 1391 R C 0.376 176.677 176.300 0.002 0.000 1.002 1391 R CA -0.044 56.033 56.100 -0.039 0.000 1.106 1391 R CB 0.223 30.515 30.300 -0.013 0.000 1.280 1391 R HN 0.187 nan 8.270 nan 0.000 0.549 1392 S N 0.679 116.391 115.700 0.021 0.000 2.477 1392 S HA 0.192 4.662 4.470 -0.000 0.000 0.261 1392 S C 0.897 175.512 174.600 0.025 0.000 1.197 1392 S CA -0.517 57.705 58.200 0.037 0.000 1.015 1392 S CB 0.524 63.761 63.200 0.061 0.000 1.077 1392 S HN 0.092 nan 8.310 nan 0.000 0.505 1393 N N 1.199 119.916 118.700 0.028 0.000 2.268 1393 N HA 0.120 4.860 4.740 -0.000 0.000 0.204 1393 N C -0.179 175.344 175.510 0.023 0.000 1.124 1393 N CA 0.124 53.187 53.050 0.021 0.000 0.838 1393 N CB -0.275 38.223 38.487 0.019 0.000 0.994 1393 N HN 0.608 nan 8.380 nan 0.000 0.489 1394 T N -0.036 114.537 114.554 0.030 0.000 2.788 1394 T HA 0.133 4.482 4.350 -0.000 0.000 0.333 1394 T C 1.170 175.888 174.700 0.030 0.000 1.090 1394 T CA -0.299 61.821 62.100 0.033 0.000 1.094 1394 T CB 0.534 69.429 68.868 0.046 0.000 0.999 1394 T HN 0.165 nan 8.240 nan 0.000 0.549 1395 G N -0.453 108.368 108.800 0.035 0.000 2.491 1395 G HA2 0.388 4.348 3.960 -0.000 0.000 0.238 1395 G HA3 0.388 4.348 3.960 -0.000 0.000 0.238 1395 G C 1.156 176.084 174.900 0.047 0.000 1.277 1395 G CA -0.349 44.782 45.100 0.051 0.000 0.851 1395 G HN 0.959 nan 8.290 nan 0.000 0.573 1396 A N 2.365 125.218 122.820 0.055 0.000 1.869 1396 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 1396 A C 2.508 180.080 177.584 -0.020 0.000 1.203 1396 A CA 1.816 53.834 52.037 -0.032 0.000 0.638 1396 A CB -0.734 18.167 19.000 -0.166 0.000 0.831 1396 A HN 0.674 nan 8.150 nan 0.000 0.450 1397 L N -1.456 119.806 121.223 0.064 0.000 2.051 1397 L HA -0.315 4.025 4.340 -0.000 0.000 0.214 1397 L C 2.867 179.759 176.870 0.036 0.000 1.076 1397 L CA 2.278 57.157 54.840 0.064 0.000 0.758 1397 L CB -0.470 41.663 42.059 0.124 0.000 0.890 1397 L HN 0.715 nan 8.230 nan 0.000 0.433 1398 M N -0.391 119.234 119.600 0.042 0.000 2.059 1398 M HA -0.259 4.221 4.480 -0.000 0.000 0.259 1398 M C 2.460 178.793 176.300 0.055 0.000 1.072 1398 M CA 1.878 57.202 55.300 0.041 0.000 1.117 1398 M CB -0.192 32.432 32.600 0.039 0.000 1.320 1398 M HN -0.025 nan 8.290 nan 0.000 0.408 1399 R N -0.038 120.489 120.500 0.045 0.000 2.105 1399 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 1399 R C 2.472 178.802 176.300 0.049 0.000 1.135 1399 R CA 1.755 57.888 56.100 0.055 0.000 0.967 1399 R CB -1.003 29.301 30.300 0.008 0.000 0.861 1399 R HN 0.800 nan 8.270 nan 0.000 0.442 1400 C N 0.262 119.559 119.300 -0.005 0.000 2.485 1400 C HA 0.077 4.537 4.460 -0.000 0.000 0.283 1400 C C 2.046 177.039 174.990 0.004 0.000 1.478 1400 C CA 0.208 59.202 59.018 -0.039 0.000 1.741 1400 C CB -1.180 26.503 27.740 -0.095 0.000 1.675 1400 C HN 0.362 nan 8.230 nan 0.000 0.573 1401 S N -1.476 114.263 115.700 0.064 0.000 2.679 1401 S HA 0.394 4.864 4.470 -0.000 0.000 0.233 1401 S C -0.349 174.374 174.600 0.205 0.000 0.951 1401 S CA -0.402 57.851 58.200 0.089 0.000 0.973 1401 S CB -0.688 62.555 63.200 0.073 0.000 0.778 1401 S HN 0.746 nan 8.310 nan 0.000 0.477 1402 F N 1.010 120.953 119.950 -0.012 0.000 2.650 1402 F HA 0.383 4.910 4.527 -0.000 0.000 0.310 1402 F C 0.381 176.160 175.800 -0.035 0.000 1.112 1402 F CA -0.836 57.170 58.000 0.010 0.000 0.986 1402 F CB 0.983 40.021 39.000 0.063 0.000 1.285 1402 F HN 0.011 nan 8.300 nan 0.000 0.440 1403 E N 2.269 121.986 120.200 -0.805 0.000 4.390 1403 E HA -0.356 3.994 4.350 -0.000 0.000 0.198 1403 E C 0.168 176.553 176.600 -0.357 0.000 1.342 1403 E CA 2.598 58.578 56.400 -0.699 0.000 2.211 1403 E CB -0.661 28.407 29.700 -1.055 0.000 1.917 1403 E HN 0.882 nan 8.360 nan 0.000 0.280 1404 E N 1.148 121.182 120.200 -0.275 0.000 2.723 1404 E HA 0.215 4.565 4.350 -0.000 0.000 0.219 1404 E C 0.820 177.318 176.600 -0.170 0.000 1.060 1404 E CA 0.445 56.728 56.400 -0.196 0.000 1.291 1404 E CB 0.201 29.800 29.700 -0.168 0.000 1.265 1404 E HN 0.267 nan 8.360 nan 0.000 0.438 1405 T N -0.054 114.402 114.554 -0.164 0.000 2.442 1405 T HA -0.320 4.030 4.350 -0.000 0.000 0.237 1405 T C 1.901 176.462 174.700 -0.232 0.000 1.361 1405 T CA 1.910 63.911 62.100 -0.165 0.000 1.127 1405 T CB -0.452 68.327 68.868 -0.148 0.000 0.845 1405 T HN 0.156 nan 8.240 nan 0.000 0.433 1406 V N 1.414 121.153 119.914 -0.291 0.000 2.548 1406 V HA -0.087 4.033 4.120 -0.000 0.000 0.249 1406 V C 2.607 178.386 176.094 -0.524 0.000 1.055 1406 V CA 1.756 63.764 62.300 -0.488 0.000 1.065 1406 V CB -0.734 30.737 31.823 -0.588 0.000 0.681 1406 V HN 0.380 nan 8.190 nan 0.000 0.462 1407 E N 0.450 120.475 120.200 -0.292 0.000 2.058 1407 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 1407 E C 2.011 178.541 176.600 -0.117 0.000 0.997 1407 E CA 1.469 57.786 56.400 -0.138 0.000 0.801 1407 E CB -0.411 29.238 29.700 -0.084 0.000 0.746 1407 E HN 0.547 nan 8.360 nan 0.000 0.450 1408 I N 0.336 120.813 120.570 -0.157 0.000 2.226 1408 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 1408 I C 2.137 178.131 176.117 -0.204 0.000 1.100 1408 I CA 0.933 62.143 61.300 -0.150 0.000 1.374 1408 I CB -0.271 37.643 38.000 -0.143 0.000 1.057 1408 I HN 0.103 nan 8.210 nan 0.000 0.413 1409 L N -0.427 120.630 121.223 -0.278 0.000 2.141 1409 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 1409 L C 2.555 179.305 176.870 -0.198 0.000 1.094 1409 L CA 1.565 56.187 54.840 -0.365 0.000 0.763 1409 L CB -0.600 41.236 42.059 -0.372 0.000 0.908 1409 L HN 0.242 nan 8.230 nan 0.000 0.437 1410 F N 0.740 120.580 119.950 -0.184 0.000 2.060 1410 F HA -0.256 4.271 4.527 -0.000 0.000 0.295 1410 F C 2.692 178.477 175.800 -0.024 0.000 1.120 1410 F CA 0.849 58.774 58.000 -0.125 0.000 1.205 1410 F CB -0.006 38.875 39.000 -0.198 0.000 0.986 1410 F HN 0.080 nan 8.300 nan 0.000 0.470 1411 E N 1.082 121.369 120.200 0.144 0.000 2.219 1411 E HA -0.219 4.131 4.350 -0.000 0.000 0.198 1411 E C 1.822 178.369 176.600 -0.087 0.000 0.998 1411 E CA 1.270 57.675 56.400 0.008 0.000 0.818 1411 E CB -0.258 29.417 29.700 -0.042 0.000 0.741 1411 E HN 0.325 nan 8.360 nan 0.000 0.477 1412 A N -0.205 122.536 122.820 -0.132 0.000 1.898 1412 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 1412 A C 2.428 179.942 177.584 -0.116 0.000 1.181 1412 A CA 1.513 53.417 52.037 -0.222 0.000 0.620 1412 A CB -1.011 17.649 19.000 -0.566 0.000 0.819 1412 A HN 0.395 nan 8.150 nan 0.000 0.442 1413 G N -0.954 107.817 108.800 -0.048 0.000 2.464 1413 G HA2 0.172 4.132 3.960 -0.000 0.000 0.217 1413 G HA3 0.172 4.132 3.960 -0.000 0.000 0.217 1413 G C 1.602 176.479 174.900 -0.037 0.000 1.138 1413 G CA 1.101 46.237 45.100 0.059 0.000 0.793 1413 G HN 0.702 nan 8.290 nan 0.000 0.539 1414 A N 0.668 123.409 122.820 -0.132 0.000 1.898 1414 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 1414 A C 2.349 179.576 177.584 -0.595 0.000 1.181 1414 A CA 1.899 53.663 52.037 -0.456 0.000 0.620 1414 A CB -0.226 18.464 19.000 -0.517 0.000 0.819 1414 A HN 0.237 nan 8.150 nan 0.000 0.442 1415 S N -0.962 114.488 115.700 -0.417 0.000 2.597 1415 S HA 0.453 4.923 4.470 -0.000 0.000 0.224 1415 S C 0.835 175.318 174.600 -0.195 0.000 0.955 1415 S CA 0.467 58.430 58.200 -0.395 0.000 0.933 1415 S CB -0.064 62.950 63.200 -0.309 0.000 0.788 1415 S HN 1.529 nan 8.310 nan 0.000 0.488 1416 A N 1.892 124.644 122.820 -0.115 0.000 2.560 1416 A HA -0.223 4.097 4.320 -0.000 0.000 0.299 1416 A C 0.334 177.920 177.584 0.004 0.000 1.484 1416 A CA 0.691 52.723 52.037 -0.008 0.000 0.749 1416 A CB -1.781 17.258 19.000 0.064 0.000 1.072 1416 A HN 0.623 nan 8.150 nan 0.000 0.426 1417 E N -1.621 118.605 120.200 0.043 0.000 2.425 1417 E HA 0.361 4.711 4.350 -0.000 0.000 0.258 1417 E C -0.106 176.538 176.600 0.074 0.000 1.151 1417 E CA -0.182 56.260 56.400 0.069 0.000 0.958 1417 E CB 0.445 30.203 29.700 0.097 0.000 0.968 1417 E HN 0.662 nan 8.360 nan 0.000 0.451 1418 L N 1.850 123.095 121.223 0.036 0.000 2.406 1418 L HA 0.291 4.631 4.340 -0.000 0.000 0.272 1418 L C -1.260 175.609 176.870 -0.003 0.000 0.980 1418 L CA -0.368 54.451 54.840 -0.036 0.000 0.831 1418 L CB 1.772 43.800 42.059 -0.050 0.000 1.253 1418 L HN 0.361 nan 8.230 nan 0.000 0.406 1419 D N 2.906 123.285 120.400 -0.036 0.000 2.280 1419 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 1419 D C 0.167 176.446 176.300 -0.034 0.000 1.082 1419 D CA -0.147 53.855 54.000 0.002 0.000 0.834 1419 D CB 1.662 42.495 40.800 0.054 0.000 1.100 1419 D HN 0.591 nan 8.370 nan 0.000 0.486 1420 D N 1.859 122.250 120.400 -0.014 0.000 2.178 1420 D HA -0.113 4.527 4.640 -0.000 0.000 0.201 1420 D C 0.851 177.138 176.300 -0.022 0.000 0.980 1420 D CA 0.650 54.639 54.000 -0.019 0.000 0.842 1420 D CB 0.041 40.838 40.800 -0.006 0.000 0.948 1420 D HN 0.524 nan 8.370 nan 0.000 0.472 1421 C N 0.040 119.331 119.300 -0.015 0.000 4.614 1421 C HA -0.151 4.309 4.460 -0.000 0.000 0.300 1421 C C 1.483 176.464 174.990 -0.015 0.000 1.301 1421 C CA -0.192 58.815 59.018 -0.018 0.000 2.073 1421 C CB -2.470 25.250 27.740 -0.033 0.000 1.219 1421 C HN 0.410 nan 8.230 nan 0.000 0.772 1422 R N 0.210 120.707 120.500 -0.006 0.000 2.308 1422 R HA 0.206 4.546 4.340 -0.000 0.000 0.202 1422 R C 1.358 177.655 176.300 -0.005 0.000 0.898 1422 R CA 0.700 56.798 56.100 -0.003 0.000 1.046 1422 R CB 0.319 30.623 30.300 0.008 0.000 1.026 1422 R HN 0.610 nan 8.270 nan 0.000 0.512 1423 G N 0.267 109.065 108.800 -0.004 0.000 2.467 1423 G HA2 0.234 4.194 3.960 -0.000 0.000 0.257 1423 G HA3 0.234 4.194 3.960 -0.000 0.000 0.257 1423 G C 1.165 176.053 174.900 -0.019 0.000 1.227 1423 G CA -0.608 44.488 45.100 -0.007 0.000 0.835 1423 G HN -0.125 nan 8.290 nan 0.000 0.556 1424 V N 2.063 121.959 119.914 -0.029 0.000 2.252 1424 V HA -0.236 3.883 4.120 -0.000 0.000 0.249 1424 V C 3.019 179.096 176.094 -0.029 0.000 1.056 1424 V CA 2.518 64.793 62.300 -0.040 0.000 1.022 1424 V CB -0.974 30.820 31.823 -0.049 0.000 0.641 1424 V HN 0.688 nan 8.190 nan 0.000 0.445 1425 S N -0.105 115.584 115.700 -0.019 0.000 2.365 1425 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 1425 S C 1.951 176.549 174.600 -0.002 0.000 1.039 1425 S CA 1.768 59.964 58.200 -0.007 0.000 1.033 1425 S CB -0.427 62.776 63.200 0.006 0.000 0.887 1425 S HN 0.768 nan 8.310 nan 0.000 0.447 1426 E N 1.925 122.126 120.200 0.002 0.000 2.097 1426 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 1426 E C 1.648 178.243 176.600 -0.008 0.000 1.000 1426 E CA 0.970 57.373 56.400 0.005 0.000 0.804 1426 E CB -0.706 28.997 29.700 0.005 0.000 0.740 1426 E HN 0.559 nan 8.360 nan 0.000 0.454 1427 N N 0.955 119.643 118.700 -0.019 0.000 2.106 1427 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 1427 N C 2.205 177.700 175.510 -0.025 0.000 1.029 1427 N CA 1.178 54.212 53.050 -0.027 0.000 0.848 1427 N CB -0.220 38.245 38.487 -0.037 0.000 1.007 1427 N HN 0.010 nan 8.380 nan 0.000 0.423 1428 V N 2.460 122.359 119.914 -0.025 0.000 2.324 1428 V HA -0.224 3.896 4.120 -0.000 0.000 0.250 1428 V C 2.302 178.386 176.094 -0.016 0.000 1.060 1428 V CA 1.397 63.683 62.300 -0.024 0.000 1.042 1428 V CB -0.432 31.377 31.823 -0.023 0.000 0.650 1428 V HN 0.276 nan 8.190 nan 0.000 0.450 1429 I N -0.933 119.632 120.570 -0.009 0.000 2.394 1429 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 1429 I C 2.017 178.131 176.117 -0.006 0.000 1.136 1429 I CA 1.442 62.740 61.300 -0.003 0.000 1.425 1429 I CB -0.108 37.898 38.000 0.008 0.000 1.079 1429 I HN 0.278 nan 8.210 nan 0.000 0.425 1430 L N 0.109 121.324 121.223 -0.012 0.000 2.567 1430 L HA 0.205 4.545 4.340 -0.000 0.000 0.225 1430 L C 1.327 178.185 176.870 -0.020 0.000 1.119 1430 L CA 0.380 55.210 54.840 -0.017 0.000 0.871 1430 L CB -0.066 41.978 42.059 -0.024 0.000 1.036 1430 L HN 0.422 nan 8.230 nan 0.000 0.459 1431 G N 0.641 109.429 108.800 -0.021 0.000 2.225 1431 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.264 1431 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.264 1431 G C -0.031 174.853 174.900 -0.027 0.000 1.060 1431 G CA -0.041 45.046 45.100 -0.022 0.000 0.833 1431 G HN 0.431 nan 8.290 nan 0.000 0.498 1432 Q N -1.074 118.707 119.800 -0.031 0.000 2.351 1432 Q HA 0.615 4.955 4.340 -0.000 0.000 0.273 1432 Q C 0.456 176.429 176.000 -0.045 0.000 1.077 1432 Q CA -1.087 54.694 55.803 -0.036 0.000 0.843 1432 Q CB 1.566 30.283 28.738 -0.035 0.000 1.367 1432 Q HN 0.345 nan 8.270 nan 0.000 0.449 1433 M N 1.960 121.529 119.600 -0.052 0.000 2.307 1433 M HA 0.202 4.682 4.480 -0.000 0.000 0.346 1433 M C -0.566 175.687 176.300 -0.078 0.000 1.552 1433 M CA -0.066 55.193 55.300 -0.068 0.000 1.116 1433 M CB 0.197 32.750 32.600 -0.079 0.000 1.889 1433 M HN 0.777 nan 8.290 nan 0.000 0.460 1434 A N 7.369 130.141 122.820 -0.079 0.000 2.407 1434 A HA 0.408 4.728 4.320 -0.000 0.000 0.248 1434 A C -2.370 175.146 177.584 -0.113 0.000 1.082 1434 A CA -1.202 50.785 52.037 -0.083 0.000 0.785 1434 A CB -0.409 18.546 19.000 -0.075 0.000 1.020 1434 A HN 0.621 nan 8.150 nan 0.000 0.489 1435 P HA 0.255 nan 4.420 nan 0.000 0.249 1435 P C -0.969 176.227 177.300 -0.172 0.000 1.737 1435 P CA 0.574 63.587 63.100 -0.145 0.000 1.128 1435 P CB -0.698 30.939 31.700 -0.104 0.000 1.942 1436 I N -2.617 117.842 120.570 -0.184 0.000 2.692 1436 I HA 0.715 4.885 4.170 -0.000 0.000 0.293 1436 I C 0.755 176.768 176.117 -0.173 0.000 1.200 1436 I CA -0.941 60.252 61.300 -0.178 0.000 1.036 1436 I CB 1.924 39.842 38.000 -0.137 0.000 1.258 1436 I HN 0.369 nan 8.210 nan 0.000 0.421 1437 G N 4.419 113.124 108.800 -0.158 0.000 2.684 1437 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.332 1437 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.332 1437 G C 0.785 175.617 174.900 -0.113 0.000 1.306 1437 G CA 1.321 46.367 45.100 -0.091 0.000 1.002 1437 G HN 0.909 nan 8.290 nan 0.000 0.545 1438 T N 1.073 115.576 114.554 -0.085 0.000 2.858 1438 T HA -0.142 4.208 4.350 -0.000 0.000 0.263 1438 T C 2.052 176.460 174.700 -0.487 0.000 1.072 1438 T CA 2.571 64.575 62.100 -0.161 0.000 1.141 1438 T CB -0.506 68.310 68.868 -0.086 0.000 0.821 1438 T HN 1.484 nan 8.240 nan 0.000 0.517 1439 G N -0.550 108.003 108.800 -0.413 0.000 3.159 1439 G HA2 0.421 4.381 3.960 -0.000 0.000 0.232 1439 G HA3 0.421 4.381 3.960 -0.000 0.000 0.232 1439 G C 1.318 175.946 174.900 -0.453 0.000 1.116 1439 G CA 0.419 45.256 45.100 -0.438 0.000 0.767 1439 G HN 0.524 nan 8.290 nan 0.000 0.547 1440 A N 0.330 122.875 122.820 -0.458 0.000 2.248 1440 A HA 0.471 4.791 4.320 -0.000 0.000 0.210 1440 A C 0.455 177.993 177.584 -0.077 0.000 1.174 1440 A CA 0.435 52.306 52.037 -0.278 0.000 0.750 1440 A CB -0.673 18.159 19.000 -0.281 0.000 0.780 1440 A HN 0.764 nan 8.150 nan 0.000 0.478 1441 F N -4.150 115.826 119.950 0.043 0.000 2.693 1441 F HA 0.668 5.195 4.527 -0.000 0.000 0.309 1441 F C -1.155 174.688 175.800 0.072 0.000 1.129 1441 F CA -2.146 55.928 58.000 0.124 0.000 0.948 1441 F CB 0.403 39.549 39.000 0.243 0.000 1.315 1441 F HN -0.191 nan 8.300 nan 0.000 0.447 1442 D N 0.619 121.205 120.400 0.310 0.000 2.387 1442 D HA 0.679 5.319 4.640 -0.000 0.000 0.255 1442 D C -1.081 175.397 176.300 0.296 0.000 1.081 1442 D CA -0.170 53.949 54.000 0.200 0.000 0.994 1442 D CB 2.430 43.300 40.800 0.117 0.000 1.127 1442 D HN 0.447 nan 8.370 nan 0.000 0.513 1443 V N 1.772 121.796 119.914 0.185 0.000 2.569 1443 V HA 0.397 4.517 4.120 -0.000 0.000 0.301 1443 V C -0.442 175.709 176.094 0.095 0.000 1.044 1443 V CA -0.591 61.807 62.300 0.163 0.000 0.874 1443 V CB 1.606 33.538 31.823 0.181 0.000 1.002 1443 V HN 0.442 nan 8.190 nan 0.000 0.424 1444 M N 5.063 124.708 119.600 0.074 0.000 2.591 1444 M HA 0.684 5.164 4.480 -0.000 0.000 0.306 1444 M C -0.850 175.478 176.300 0.046 0.000 1.190 1444 M CA -0.525 54.807 55.300 0.053 0.000 0.889 1444 M CB 2.103 34.728 32.600 0.042 0.000 1.728 1444 M HN 0.542 nan 8.290 nan 0.000 0.458 1445 I N -0.057 120.537 120.570 0.040 0.000 2.416 1445 I HA 0.308 4.478 4.170 -0.000 0.000 0.288 1445 I C -0.145 175.989 176.117 0.028 0.000 1.051 1445 I CA -0.298 61.026 61.300 0.040 0.000 1.375 1445 I CB -0.076 37.946 38.000 0.037 0.000 1.407 1445 I HN 0.470 nan 8.210 nan 0.000 0.516 1446 D N 5.143 125.558 120.400 0.024 0.000 2.479 1446 D HA 0.058 4.698 4.640 -0.000 0.000 0.218 1446 D C 1.142 177.435 176.300 -0.012 0.000 1.131 1446 D CA -0.099 53.902 54.000 0.003 0.000 0.916 1446 D CB 0.562 41.358 40.800 -0.007 0.000 1.022 1446 D HN 0.622 nan 8.370 nan 0.000 0.515 1447 E N 3.278 123.472 120.200 -0.008 0.000 2.164 1447 E HA -0.287 4.062 4.350 -0.000 0.000 0.206 1447 E C 0.794 177.371 176.600 -0.038 0.000 1.032 1447 E CA 1.395 57.786 56.400 -0.014 0.000 0.832 1447 E CB 0.377 30.071 29.700 -0.010 0.000 0.742 1447 E HN 0.656 nan 8.360 nan 0.000 0.460 1448 E N 0.170 120.340 120.200 -0.050 0.000 1.997 1448 E HA -0.176 4.174 4.350 -0.000 0.000 0.201 1448 E C 2.182 178.698 176.600 -0.141 0.000 1.011 1448 E CA 1.650 58.003 56.400 -0.078 0.000 0.847 1448 E CB -0.595 29.062 29.700 -0.071 0.000 0.787 1448 E HN 0.362 nan 8.360 nan 0.000 0.472 1449 S N 1.496 117.084 115.700 -0.187 0.000 2.423 1449 S HA -0.191 4.279 4.470 -0.000 0.000 0.238 1449 S C 1.973 176.280 174.600 -0.489 0.000 1.028 1449 S CA 1.135 59.095 58.200 -0.400 0.000 1.000 1449 S CB -0.400 62.605 63.200 -0.325 0.000 0.797 1449 S HN 0.180 nan 8.310 nan 0.000 0.487 1450 L N 0.735 121.857 121.223 -0.169 0.000 2.549 1450 L HA 0.252 4.592 4.340 -0.000 0.000 0.229 1450 L C 1.920 178.774 176.870 -0.026 0.000 1.158 1450 L CA 0.786 55.615 54.840 -0.018 0.000 0.842 1450 L CB -0.169 41.907 42.059 0.028 0.000 0.952 1450 L HN 0.268 nan 8.230 nan 0.000 0.452 1451 V N -1.738 118.112 119.914 -0.106 0.000 3.307 1451 V HA 0.004 4.124 4.120 -0.000 0.000 0.244 1451 V C 2.123 178.170 176.094 -0.079 0.000 1.196 1451 V CA 0.432 62.697 62.300 -0.058 0.000 1.132 1451 V CB 0.117 31.910 31.823 -0.050 0.000 0.875 1451 V HN 0.315 nan 8.190 nan 0.000 0.468 1452 K N -0.206 120.076 120.400 -0.198 0.000 2.442 1452 K HA -0.070 4.250 4.320 -0.000 0.000 0.198 1452 K C -0.065 176.501 176.600 -0.056 0.000 1.044 1452 K CA 0.878 57.059 56.287 -0.178 0.000 0.948 1452 K CB -0.130 32.201 32.500 -0.283 0.000 0.762 1452 K HN 0.523 nan 8.250 nan 0.000 0.472 1453 Y N 1.914 122.214 120.300 -0.001 0.000 2.802 1453 Y HA 0.192 4.742 4.550 -0.000 0.000 0.330 1453 Y C -0.001 175.900 175.900 0.000 0.000 1.193 1453 Y CA -0.994 57.106 58.100 -0.000 0.000 1.427 1453 Y CB -0.094 38.366 38.460 0.001 0.000 1.357 1453 Y HN 0.012 nan 8.280 nan 0.000 0.501 1454 M N 2.023 121.711 119.600 0.146 0.000 2.429 1454 M HA 0.367 4.847 4.480 -0.000 0.000 0.221 1454 M C -3.161 173.171 176.300 0.052 0.000 0.942 1454 M CA -1.296 54.053 55.300 0.080 0.000 0.805 1454 M CB 0.492 33.129 32.600 0.060 0.000 2.336 1454 M HN 0.126 nan 8.290 nan 0.000 0.447 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.116 63.100 0.026 0.000 0.800 1455 P CB 0.000 31.712 31.700 0.020 0.000 0.726