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 3how_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKCQTCQ EGMNECPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL 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 0.000 176.085 176.094 -0.015 0.000 1.182 2 V CA 0.000 62.288 62.300 -0.020 0.000 1.235 2 V CB 0.000 31.810 31.823 -0.021 0.000 1.184 3 G N 1.407 110.195 108.800 -0.019 0.000 2.175 3 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 3 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 3 G C 0.186 175.076 174.900 -0.016 0.000 0.982 3 G CA 0.870 45.959 45.100 -0.019 0.000 0.641 3 G HN 1.586 nan 8.290 nan 0.000 0.527 4 Q N -1.054 118.737 119.800 -0.014 0.000 3.114 4 Q HA -0.203 4.137 4.340 -0.000 0.000 0.161 4 Q C 0.313 176.316 176.000 0.005 0.000 1.710 4 Q CA 1.562 57.360 55.803 -0.008 0.000 0.260 4 Q CB -0.179 28.547 28.738 -0.020 0.000 1.053 4 Q HN 1.365 nan 8.270 nan 0.000 0.411 5 Q N -0.591 119.221 119.800 0.020 0.000 3.213 5 Q HA -0.230 4.110 4.340 -0.000 0.000 0.028 5 Q C -1.265 174.788 176.000 0.088 0.000 1.698 5 Q CA 0.327 56.157 55.803 0.045 0.000 0.249 5 Q CB -0.096 28.654 28.738 0.021 0.000 0.584 5 Q HN 0.504 nan 8.270 nan 0.000 0.322 6 Y N 2.688 122.978 120.300 -0.018 0.000 2.550 6 Y HA 0.337 4.887 4.550 -0.000 0.000 0.343 6 Y C -0.175 175.719 175.900 -0.010 0.000 1.245 6 Y CA 0.902 58.994 58.100 -0.014 0.000 1.462 6 Y CB 1.231 39.684 38.460 -0.012 0.000 1.340 6 Y HN 0.426 nan 8.280 nan 0.000 0.604 7 S N 2.388 117.617 115.700 -0.785 0.000 2.619 7 S HA 0.322 4.792 4.470 -0.000 0.000 0.280 7 S C -0.051 173.923 174.600 -1.044 0.000 1.150 7 S CA -0.214 57.547 58.200 -0.732 0.000 0.978 7 S CB 0.592 63.617 63.200 -0.293 0.000 1.041 7 S HN 0.833 nan 8.310 nan 0.000 0.485 8 S N 3.175 118.400 115.700 -0.792 0.000 2.701 8 S HA 0.393 4.863 4.470 -0.000 0.000 0.220 8 S C 0.702 175.203 174.600 -0.164 0.000 0.954 8 S CA -0.018 57.941 58.200 -0.401 0.000 0.936 8 S CB -0.299 62.789 63.200 -0.185 0.000 0.777 8 S HN 0.957 nan 8.310 nan 0.000 0.518 9 A N 3.178 125.898 122.820 -0.167 0.000 2.316 9 A HA 0.650 4.969 4.320 -0.000 0.000 0.284 9 A C -1.698 175.861 177.584 -0.042 0.000 1.115 9 A CA -1.682 50.306 52.037 -0.081 0.000 0.812 9 A CB -0.134 18.820 19.000 -0.077 0.000 1.064 9 A HN 0.435 nan 8.150 nan 0.000 0.489 10 P HA 0.236 nan 4.420 nan 0.000 0.270 10 P C -0.878 176.419 177.300 -0.005 0.000 1.223 10 P CA -0.080 63.020 63.100 -0.001 0.000 0.785 10 P CB 0.677 32.377 31.700 0.000 0.000 0.923 11 L N 1.871 123.097 121.223 0.005 0.000 2.319 11 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 11 L C -0.265 176.604 176.870 -0.002 0.000 1.005 11 L CA -0.578 54.262 54.840 0.000 0.000 0.828 11 L CB 1.237 43.303 42.059 0.010 0.000 1.227 11 L HN 0.365 nan 8.230 nan 0.000 0.415 12 R N 1.553 122.047 120.500 -0.009 0.000 2.855 12 R HA 0.597 4.937 4.340 -0.000 0.000 0.266 12 R C -0.624 175.665 176.300 -0.017 0.000 1.034 12 R CA -0.394 55.700 56.100 -0.011 0.000 0.944 12 R CB 2.198 32.492 30.300 -0.011 0.000 1.219 12 R HN 0.786 nan 8.270 nan 0.000 0.474 13 T N -1.545 112.998 114.554 -0.017 0.000 2.816 13 T HA 0.358 4.708 4.350 -0.000 0.000 0.282 13 T C 0.088 174.770 174.700 -0.030 0.000 0.993 13 T CA -0.683 61.404 62.100 -0.023 0.000 0.994 13 T CB 1.069 69.925 68.868 -0.020 0.000 1.025 13 T HN 0.115 nan 8.240 nan 0.000 0.529 14 V N 2.698 122.591 119.914 -0.036 0.000 2.465 14 V HA 0.297 4.417 4.120 -0.000 0.000 0.279 14 V C 0.930 176.997 176.094 -0.044 0.000 1.045 14 V CA -0.488 61.783 62.300 -0.048 0.000 0.938 14 V CB 1.332 33.120 31.823 -0.059 0.000 0.986 14 V HN 0.866 nan 8.190 nan 0.000 0.467 15 K N 2.739 123.110 120.400 -0.048 0.000 2.350 15 K HA 0.339 4.659 4.320 -0.000 0.000 0.196 15 K C 0.233 176.804 176.600 -0.048 0.000 1.084 15 K CA 0.504 56.768 56.287 -0.039 0.000 0.967 15 K CB 0.789 33.272 32.500 -0.030 0.000 0.950 15 K HN 0.736 nan 8.250 nan 0.000 0.512 16 E N 0.127 120.283 120.200 -0.073 0.000 2.413 16 E HA 0.376 4.726 4.350 -0.000 0.000 0.277 16 E C -1.358 175.148 176.600 -0.156 0.000 0.958 16 E CA -0.768 55.576 56.400 -0.093 0.000 0.779 16 E CB 2.943 32.590 29.700 -0.088 0.000 1.278 16 E HN -0.296 nan 8.360 nan 0.000 0.456 17 V N 2.041 121.833 119.914 -0.204 0.000 2.407 17 V HA 0.221 4.341 4.120 -0.000 0.000 0.291 17 V C -0.564 175.244 176.094 -0.476 0.000 1.018 17 V CA -0.863 61.209 62.300 -0.380 0.000 0.842 17 V CB 1.474 33.029 31.823 -0.446 0.000 0.996 17 V HN 0.550 nan 8.190 nan 0.000 0.426 18 Q N 3.838 123.327 119.800 -0.518 0.000 2.377 18 Q HA 0.444 4.784 4.340 -0.000 0.000 0.249 18 Q C -1.010 174.622 176.000 -0.613 0.000 1.005 18 Q CA -0.213 55.272 55.803 -0.530 0.000 0.912 18 Q CB 0.980 29.331 28.738 -0.645 0.000 1.223 18 Q HN 0.625 nan 8.270 nan 0.000 0.459 19 F N 1.269 121.054 119.950 -0.275 0.000 2.438 19 F HA 0.476 5.003 4.527 -0.000 0.000 0.356 19 F C 1.220 176.875 175.800 -0.242 0.000 1.099 19 F CA 0.229 58.093 58.000 -0.227 0.000 1.185 19 F CB 1.277 40.191 39.000 -0.143 0.000 1.115 19 F HN 0.527 nan 8.300 nan 0.000 0.526 20 G N 3.189 111.944 108.800 -0.075 0.000 3.247 20 G HA2 0.794 4.754 3.960 -0.000 0.000 0.226 20 G HA3 0.794 4.754 3.960 -0.000 0.000 0.226 20 G C -1.687 173.158 174.900 -0.093 0.000 1.220 20 G CA -0.778 44.275 45.100 -0.079 0.000 0.875 20 G HN 0.449 nan 8.290 nan 0.000 0.606 21 L N -0.260 120.867 121.223 -0.161 0.000 2.482 21 L HA 0.413 4.753 4.340 -0.000 0.000 0.263 21 L C -1.173 175.463 176.870 -0.390 0.000 0.957 21 L CA -0.594 54.148 54.840 -0.164 0.000 0.836 21 L CB 2.983 45.032 42.059 -0.015 0.000 1.324 21 L HN 0.463 nan 8.230 nan 0.000 0.406 22 F N 1.794 121.566 119.950 -0.297 0.000 2.541 22 F HA 0.096 4.623 4.527 -0.000 0.000 0.378 22 F C 1.123 176.492 175.800 -0.720 0.000 1.068 22 F CA -0.104 57.653 58.000 -0.405 0.000 1.199 22 F CB 1.160 40.051 39.000 -0.182 0.000 1.091 22 F HN 0.489 nan 8.300 nan 0.000 0.555 23 S N 5.813 121.109 115.700 -0.674 0.000 2.565 23 S HA 0.241 4.711 4.470 -0.000 0.000 0.274 23 S C -1.528 173.042 174.600 -0.049 0.000 1.309 23 S CA -1.357 56.404 58.200 -0.732 0.000 1.043 23 S CB 1.511 64.546 63.200 -0.274 0.000 0.939 23 S HN 0.461 nan 8.310 nan 0.000 0.504 24 P HA -0.136 nan 4.420 nan 0.000 0.218 24 P C 0.835 178.183 177.300 0.080 0.000 1.148 24 P CA 1.274 64.449 63.100 0.124 0.000 0.822 24 P CB 0.102 31.914 31.700 0.188 0.000 0.784 25 E N 0.473 120.751 120.200 0.131 0.000 2.058 25 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 25 E C 2.226 178.844 176.600 0.029 0.000 0.997 25 E CA 1.539 57.993 56.400 0.089 0.000 0.801 25 E CB -0.787 28.992 29.700 0.133 0.000 0.746 25 E HN 0.465 nan 8.360 nan 0.000 0.450 26 E N 0.379 120.598 120.200 0.031 0.000 2.017 26 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 26 E C 2.017 178.567 176.600 -0.084 0.000 0.997 26 E CA 1.590 57.999 56.400 0.015 0.000 0.804 26 E CB -0.055 29.703 29.700 0.098 0.000 0.757 26 E HN 0.068 nan 8.360 nan 0.000 0.448 27 V N 1.440 121.238 119.914 -0.194 0.000 2.363 27 V HA -0.341 3.779 4.120 -0.000 0.000 0.254 27 V C 2.550 178.499 176.094 -0.242 0.000 1.074 27 V CA 2.333 64.413 62.300 -0.366 0.000 1.069 27 V CB -0.683 30.930 31.823 -0.351 0.000 0.659 27 V HN 0.303 nan 8.190 nan 0.000 0.455 28 R N -0.287 120.102 120.500 -0.186 0.000 2.070 28 R HA -0.127 4.213 4.340 -0.000 0.000 0.232 28 R C 2.547 178.696 176.300 -0.253 0.000 1.138 28 R CA 1.517 57.435 56.100 -0.303 0.000 0.936 28 R CB -0.772 29.432 30.300 -0.159 0.000 0.839 28 R HN 0.530 nan 8.270 nan 0.000 0.429 29 A N 1.566 124.308 122.820 -0.130 0.000 1.903 29 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 29 A C 2.190 179.731 177.584 -0.073 0.000 1.191 29 A CA 1.757 53.747 52.037 -0.079 0.000 0.638 29 A CB -0.771 18.210 19.000 -0.031 0.000 0.823 29 A HN 0.264 nan 8.150 nan 0.000 0.451 30 I N -0.459 120.066 120.570 -0.075 0.000 2.226 30 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 30 I C 1.479 177.587 176.117 -0.015 0.000 1.100 30 I CA 0.649 61.927 61.300 -0.036 0.000 1.374 30 I CB -0.452 37.514 38.000 -0.056 0.000 1.057 30 I HN 0.281 nan 8.210 nan 0.000 0.413 31 S N 0.740 116.402 115.700 -0.064 0.000 2.575 31 S HA 0.003 4.473 4.470 -0.000 0.000 0.295 31 S C 1.024 175.620 174.600 -0.006 0.000 1.267 31 S CA -0.074 58.115 58.200 -0.018 0.000 1.074 31 S CB 0.878 63.996 63.200 -0.137 0.000 0.829 31 S HN 0.259 nan 8.310 nan 0.000 0.497 32 V N 2.738 122.678 119.914 0.043 0.000 3.660 32 V HA 0.705 4.825 4.120 -0.000 0.000 0.276 32 V C 0.410 176.521 176.094 0.029 0.000 1.317 32 V CA 0.582 62.886 62.300 0.006 0.000 1.097 32 V CB -0.689 31.109 31.823 -0.041 0.000 0.863 32 V HN 0.908 nan 8.190 nan 0.000 0.438 33 A N -0.107 122.763 122.820 0.083 0.000 2.515 33 A HA 0.819 5.139 4.320 -0.000 0.000 0.298 33 A C 0.306 178.011 177.584 0.202 0.000 1.059 33 A CA -0.577 51.521 52.037 0.101 0.000 0.698 33 A CB 1.885 20.925 19.000 0.067 0.000 1.289 33 A HN 0.024 nan 8.150 nan 0.000 0.404 34 K N 0.762 121.253 120.400 0.152 0.000 1.991 34 K HA 0.291 4.611 4.320 -0.000 0.000 0.207 34 K C 0.326 176.927 176.600 0.001 0.000 1.045 34 K CA 1.244 57.615 56.287 0.140 0.000 0.937 34 K CB -0.332 32.232 32.500 0.108 0.000 0.720 34 K HN 0.807 nan 8.250 nan 0.000 0.438 35 I N 1.108 121.702 120.570 0.040 0.000 7.265 35 I HA -0.326 3.844 4.170 -0.000 0.000 0.126 35 I C 0.239 176.375 176.117 0.033 0.000 1.836 35 I CA 0.124 61.444 61.300 0.033 0.000 2.040 35 I CB -0.492 37.499 38.000 -0.015 0.000 3.621 35 I HN 0.303 nan 8.210 nan 0.000 0.170 36 R N 2.526 123.132 120.500 0.177 0.000 2.287 36 R HA 0.274 4.614 4.340 -0.000 0.000 0.197 36 R C -0.094 176.187 176.300 -0.031 0.000 0.900 36 R CA 0.460 56.603 56.100 0.072 0.000 1.052 36 R CB 0.419 30.760 30.300 0.068 0.000 1.117 36 R HN 0.222 nan 8.270 nan 0.000 0.568 37 F N 2.046 121.976 119.950 -0.034 0.000 2.421 37 F HA 0.327 4.854 4.527 -0.000 0.000 0.337 37 F C -1.409 174.379 175.800 -0.019 0.000 1.105 37 F CA -3.163 54.823 58.000 -0.023 0.000 1.049 37 F CB 1.063 40.054 39.000 -0.016 0.000 1.139 37 F HN -0.210 nan 8.300 nan 0.000 0.479 38 P HA -0.060 nan 4.420 nan 0.000 0.225 38 P C -0.115 177.248 177.300 0.104 0.000 1.156 38 P CA 0.641 63.790 63.100 0.081 0.000 0.787 38 P CB 0.302 32.025 31.700 0.039 0.000 0.802 39 E N -0.016 120.264 120.200 0.133 0.000 2.492 39 E HA -0.015 4.335 4.350 -0.000 0.000 0.266 39 E C 1.429 178.078 176.600 0.082 0.000 1.047 39 E CA 0.740 57.203 56.400 0.106 0.000 0.968 39 E CB -0.152 29.612 29.700 0.106 0.000 0.960 39 E HN 0.058 nan 8.360 nan 0.000 0.452 40 T N 1.267 115.865 114.554 0.072 0.000 2.684 40 T HA 0.010 4.360 4.350 -0.000 0.000 0.253 40 T C 0.765 175.476 174.700 0.019 0.000 1.057 40 T CA 1.788 63.917 62.100 0.049 0.000 1.162 40 T CB -0.046 68.858 68.868 0.059 0.000 0.868 40 T HN 0.567 nan 8.240 nan 0.000 0.409 41 M N -1.145 118.465 119.600 0.017 0.000 1.512 41 M HA 0.451 4.931 4.480 -0.000 0.000 0.567 41 M C -1.496 174.800 176.300 -0.006 0.000 2.223 41 M CA -0.619 54.676 55.300 -0.007 0.000 0.539 41 M CB -0.300 32.293 32.600 -0.011 0.000 4.328 41 M HN -0.257 nan 8.290 nan 0.000 0.739 42 D N 3.205 123.602 120.400 -0.005 0.000 3.301 42 D HA -0.105 4.534 4.640 -0.000 0.000 0.220 42 D C -0.741 175.551 176.300 -0.014 0.000 1.173 42 D CA 1.140 55.138 54.000 -0.003 0.000 0.974 42 D CB -0.280 40.525 40.800 0.009 0.000 0.853 42 D HN 0.698 nan 8.370 nan 0.000 0.396 43 E N 0.269 120.452 120.200 -0.028 0.000 2.030 43 E HA 0.086 4.436 4.350 -0.000 0.000 0.267 43 E C -0.121 176.464 176.600 -0.024 0.000 1.172 43 E CA 0.096 56.470 56.400 -0.042 0.000 1.080 43 E CB -0.546 29.122 29.700 -0.053 0.000 1.080 43 E HN 0.277 nan 8.360 nan 0.000 0.446 44 T N 2.593 117.139 114.554 -0.013 0.000 3.936 44 T HA -0.231 4.119 4.350 -0.000 0.000 0.373 44 T C 0.293 174.993 174.700 0.001 0.000 0.759 44 T CA 0.928 63.028 62.100 0.000 0.000 2.004 44 T CB -1.622 67.246 68.868 0.000 0.000 1.792 44 T HN 0.844 nan 8.240 nan 0.000 0.827 45 Q N -2.978 116.824 119.800 0.004 0.000 2.342 45 Q HA -0.153 4.187 4.340 -0.000 0.000 0.196 45 Q C -0.177 175.824 176.000 0.002 0.000 0.629 45 Q CA 1.564 57.370 55.803 0.005 0.000 1.365 45 Q CB -1.840 26.901 28.738 0.005 0.000 1.406 45 Q HN 0.722 nan 8.270 nan 0.000 0.840 46 T N 1.806 116.359 114.554 -0.003 0.000 2.794 46 T HA 0.285 4.635 4.350 -0.000 0.000 0.304 46 T C 0.101 174.798 174.700 -0.005 0.000 0.973 46 T CA -0.547 61.550 62.100 -0.005 0.000 0.972 46 T CB 0.550 69.412 68.868 -0.010 0.000 0.952 46 T HN 0.126 nan 8.240 nan 0.000 0.509 47 R N 2.545 123.045 120.500 -0.000 0.000 2.584 47 R HA 0.189 4.529 4.340 -0.000 0.000 0.315 47 R C 0.461 176.757 176.300 -0.006 0.000 0.863 47 R CA 0.514 56.614 56.100 0.000 0.000 1.139 47 R CB -0.242 30.061 30.300 0.004 0.000 0.880 47 R HN 0.885 nan 8.270 nan 0.000 0.413 48 A N 3.386 126.200 122.820 -0.010 0.000 4.774 48 A HA 0.363 4.683 4.320 -0.000 0.000 0.225 48 A C -1.483 176.088 177.584 -0.021 0.000 0.934 48 A CA -0.777 51.250 52.037 -0.017 0.000 0.596 48 A CB 0.840 19.826 19.000 -0.022 0.000 1.899 48 A HN 0.496 nan 8.150 nan 0.000 0.946 49 K N 0.054 120.435 120.400 -0.032 0.000 2.498 49 K HA 0.679 4.999 4.320 -0.000 0.000 0.254 49 K C -1.400 175.161 176.600 -0.065 0.000 0.933 49 K CA -0.441 55.823 56.287 -0.039 0.000 0.806 49 K CB 2.370 34.850 32.500 -0.033 0.000 1.301 49 K HN 0.539 nan 8.250 nan 0.000 0.432 50 I N 1.074 121.595 120.570 -0.083 0.000 2.472 50 I HA 0.108 4.278 4.170 -0.000 0.000 0.290 50 I C 1.460 177.474 176.117 -0.172 0.000 1.016 50 I CA -0.174 61.033 61.300 -0.155 0.000 1.348 50 I CB 1.292 39.168 38.000 -0.207 0.000 1.417 50 I HN 0.914 nan 8.210 nan 0.000 0.521 51 G N 3.977 112.646 108.800 -0.218 0.000 3.194 51 G HA2 0.041 4.001 3.960 -0.000 0.000 0.208 51 G HA3 0.041 4.001 3.960 -0.000 0.000 0.208 51 G C 0.924 175.714 174.900 -0.184 0.000 1.240 51 G CA 0.580 45.578 45.100 -0.170 0.000 1.044 51 G HN 0.944 nan 8.290 nan 0.000 0.495 52 G N -0.477 108.207 108.800 -0.193 0.000 2.805 52 G HA2 0.410 4.370 3.960 -0.000 0.000 0.214 52 G HA3 0.410 4.370 3.960 -0.000 0.000 0.214 52 G C 0.440 175.380 174.900 0.066 0.000 1.220 52 G CA -0.094 44.997 45.100 -0.015 0.000 0.854 52 G HN 0.380 nan 8.290 nan 0.000 0.623 53 L N 0.211 121.456 121.223 0.036 0.000 2.391 53 L HA 0.378 4.718 4.340 -0.000 0.000 0.266 53 L C -0.230 176.637 176.870 -0.005 0.000 1.035 53 L CA -1.001 53.852 54.840 0.023 0.000 0.877 53 L CB 1.265 43.343 42.059 0.032 0.000 1.504 53 L HN 0.459 nan 8.230 nan 0.000 0.503 54 N N 2.013 120.702 118.700 -0.018 0.000 1.982 54 N HA -0.272 4.468 4.740 -0.000 0.000 0.354 54 N C -0.491 175.005 175.510 -0.024 0.000 1.170 54 N CA 1.410 54.443 53.050 -0.029 0.000 0.800 54 N CB -0.890 37.572 38.487 -0.043 0.000 1.027 54 N HN 0.735 nan 8.380 nan 0.000 0.549 55 D N 0.588 120.977 120.400 -0.018 0.000 3.061 55 D HA -0.081 4.559 4.640 -0.000 0.000 0.252 55 D C -2.314 173.974 176.300 -0.020 0.000 1.080 55 D CA 0.386 54.379 54.000 -0.012 0.000 0.871 55 D CB -0.363 40.430 40.800 -0.011 0.000 1.018 55 D HN 0.540 nan 8.370 nan 0.000 0.425 56 P HA 0.291 nan 4.420 nan 0.000 0.261 56 P C 0.289 177.580 177.300 -0.015 0.000 1.352 56 P CA 0.084 63.169 63.100 -0.026 0.000 0.891 56 P CB 0.502 32.195 31.700 -0.011 0.000 1.383 57 R N -4.290 116.204 120.500 -0.010 0.000 1.988 57 R HA -0.007 4.333 4.340 -0.000 0.000 0.178 57 R C 0.839 177.142 176.300 0.004 0.000 0.550 57 R CA -0.053 56.040 56.100 -0.011 0.000 1.997 57 R CB -1.246 29.044 30.300 -0.018 0.000 1.154 57 R HN 0.064 nan 8.270 nan 0.000 0.503 58 L N 0.595 121.834 121.223 0.026 0.000 2.136 58 L HA -0.005 4.335 4.340 -0.000 0.000 0.164 58 L C 1.962 178.897 176.870 0.108 0.000 0.785 58 L CA 1.137 56.019 54.840 0.071 0.000 1.155 58 L CB -0.648 41.428 42.059 0.028 0.000 1.300 58 L HN 0.247 nan 8.230 nan 0.000 0.449 59 G N -1.240 107.608 108.800 0.080 0.000 2.335 59 G HA2 0.216 4.176 3.960 -0.000 0.000 0.285 59 G HA3 0.216 4.176 3.960 -0.000 0.000 0.285 59 G C -0.235 174.685 174.900 0.034 0.000 1.448 59 G CA 0.321 45.457 45.100 0.060 0.000 1.070 59 G HN 0.525 nan 8.290 nan 0.000 0.564 60 S N -2.394 113.310 115.700 0.007 0.000 2.627 60 S HA 0.742 5.211 4.470 -0.000 0.000 0.283 60 S C -0.358 174.231 174.600 -0.018 0.000 1.127 60 S CA -0.868 57.330 58.200 -0.002 0.000 0.863 60 S CB 1.217 64.420 63.200 0.004 0.000 1.121 60 S HN 0.445 nan 8.310 nan 0.000 0.479 61 I N -0.012 120.547 120.570 -0.019 0.000 4.092 61 I HA 0.430 4.600 4.170 -0.000 0.000 0.245 61 I C -0.547 175.558 176.117 -0.021 0.000 1.044 61 I CA -1.013 60.273 61.300 -0.024 0.000 1.433 61 I CB 0.478 38.463 38.000 -0.025 0.000 1.312 61 I HN 0.595 nan 8.210 nan 0.000 0.417 62 D N 2.706 123.094 120.400 -0.021 0.000 2.781 62 D HA -0.188 4.452 4.640 -0.000 0.000 0.221 62 D C -0.170 176.119 176.300 -0.018 0.000 1.224 62 D CA 0.750 54.739 54.000 -0.018 0.000 0.625 62 D CB -0.524 40.268 40.800 -0.013 0.000 0.987 62 D HN 0.396 nan 8.370 nan 0.000 0.402 63 R N 0.188 120.675 120.500 -0.022 0.000 1.830 63 R HA -0.242 4.098 4.340 -0.000 0.000 0.199 63 R C -0.091 176.200 176.300 -0.016 0.000 0.627 63 R CA 0.487 56.574 56.100 -0.021 0.000 0.432 63 R CB -0.939 29.347 30.300 -0.022 0.000 1.536 63 R HN 0.245 nan 8.270 nan 0.000 0.561 64 N N 0.978 119.670 118.700 -0.014 0.000 2.558 64 N HA 0.173 4.913 4.740 -0.000 0.000 0.285 64 N C 0.881 176.386 175.510 -0.007 0.000 1.112 64 N CA -0.478 52.566 53.050 -0.011 0.000 0.857 64 N CB 0.964 39.445 38.487 -0.011 0.000 1.376 64 N HN 0.165 nan 8.380 nan 0.000 0.526 65 L N 0.683 121.902 121.223 -0.007 0.000 2.095 65 L HA -0.302 4.038 4.340 -0.000 0.000 0.229 65 L C 1.217 178.088 176.870 0.001 0.000 1.097 65 L CA 1.497 56.335 54.840 -0.003 0.000 0.813 65 L CB -0.421 41.636 42.059 -0.004 0.000 0.907 65 L HN 0.579 nan 8.230 nan 0.000 0.445 66 K N -0.072 120.327 120.400 -0.002 0.000 2.558 66 K HA -0.231 4.089 4.320 -0.000 0.000 0.269 66 K C -0.202 176.401 176.600 0.006 0.000 0.999 66 K CA 1.112 57.397 56.287 -0.002 0.000 1.103 66 K CB 0.048 32.545 32.500 -0.006 0.000 0.800 66 K HN 0.494 nan 8.250 nan 0.000 0.475 67 C N 4.562 123.867 119.300 0.008 0.000 2.308 67 C HA 0.026 4.485 4.460 -0.000 0.000 0.318 67 C C -1.253 173.736 174.990 -0.002 0.000 1.021 67 C CA 0.092 59.125 59.018 0.025 0.000 0.638 67 C CB -1.514 26.259 27.740 0.055 0.000 1.623 67 C HN 1.024 nan 8.230 nan 0.000 0.773 68 Q N 0.868 120.654 119.800 -0.023 0.000 2.420 68 Q HA -0.174 4.166 4.340 -0.000 0.000 0.367 68 Q C 0.734 176.703 176.000 -0.052 0.000 1.369 68 Q CA 1.812 57.586 55.803 -0.048 0.000 1.080 68 Q CB -2.281 26.410 28.738 -0.080 0.000 1.223 68 Q HN 1.313 nan 8.270 nan 0.000 0.315 69 T N -1.639 112.897 114.554 -0.030 0.000 13.322 69 T HA -0.525 3.825 4.350 -0.000 0.000 0.419 69 T C 1.671 176.365 174.700 -0.010 0.000 1.441 69 T CA 2.721 64.807 62.100 -0.022 0.000 2.359 69 T CB -2.010 66.841 68.868 -0.028 0.000 2.804 69 T HN 1.433 nan 8.240 nan 0.000 0.600 70 C N 3.731 123.025 119.300 -0.011 0.000 2.399 70 C HA -0.382 4.078 4.460 -0.000 0.000 0.248 70 C C 2.057 177.064 174.990 0.029 0.000 1.027 70 C CA 3.332 62.365 59.018 0.025 0.000 1.921 70 C CB -1.974 25.810 27.740 0.072 0.000 2.260 70 C HN 0.897 nan 8.230 nan 0.000 0.431 71 Q N -2.470 117.343 119.800 0.022 0.000 2.049 71 Q HA -0.389 3.951 4.340 -0.000 0.000 0.409 71 Q C 1.095 177.106 176.000 0.018 0.000 0.726 71 Q CA 2.229 58.041 55.803 0.015 0.000 0.896 71 Q CB -1.260 27.481 28.738 0.005 0.000 3.134 71 Q HN 0.811 nan 8.270 nan 0.000 0.836 72 E N -1.943 118.262 120.200 0.008 0.000 5.229 72 E HA -0.293 4.057 4.350 -0.000 0.000 0.167 72 E C 0.566 177.165 176.600 -0.002 0.000 1.240 72 E CA 2.398 58.800 56.400 0.003 0.000 2.124 72 E CB -1.711 27.994 29.700 0.007 0.000 1.848 72 E HN 1.393 nan 8.360 nan 0.000 0.388 73 G N 0.864 109.665 108.800 0.002 0.000 3.153 73 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.686 73 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.686 73 G C 0.812 175.705 174.900 -0.012 0.000 0.995 73 G CA 0.581 45.678 45.100 -0.005 0.000 0.783 73 G HN 0.142 nan 8.290 nan 0.000 0.551 74 M N 0.201 119.792 119.600 -0.015 0.000 2.230 74 M HA -0.345 4.134 4.480 -0.000 0.000 0.266 74 M C 1.438 177.720 176.300 -0.029 0.000 0.716 74 M CA 2.652 57.937 55.300 -0.024 0.000 0.883 74 M CB -0.525 32.058 32.600 -0.028 0.000 1.647 74 M HN 0.836 nan 8.290 nan 0.000 0.405 75 N N 0.250 118.933 118.700 -0.028 0.000 2.462 75 N HA 0.170 4.910 4.740 -0.000 0.000 0.242 75 N C 0.129 175.623 175.510 -0.026 0.000 1.010 75 N CA 0.801 53.833 53.050 -0.030 0.000 0.939 75 N CB 1.545 40.013 38.487 -0.031 0.000 1.127 75 N HN 0.406 nan 8.380 nan 0.000 0.509 76 E N 1.997 122.180 120.200 -0.028 0.000 3.460 76 E HA -0.140 4.210 4.350 -0.000 0.000 0.303 76 E C -1.355 175.228 176.600 -0.029 0.000 0.502 76 E CA 0.043 56.428 56.400 -0.025 0.000 2.163 76 E CB -1.382 28.308 29.700 -0.017 0.000 1.893 76 E HN 0.434 nan 8.360 nan 0.000 0.631 77 C N 4.955 124.235 119.300 -0.033 0.000 2.227 77 C HA 0.662 5.122 4.460 -0.000 0.000 0.333 77 C C -1.683 173.239 174.990 -0.113 0.000 1.145 77 C CA -1.487 57.500 59.018 -0.052 0.000 1.643 77 C CB -0.484 27.246 27.740 -0.016 0.000 2.185 77 C HN 0.354 nan 8.230 nan 0.000 0.497 78 P HA 0.251 nan 4.420 nan 0.000 0.282 78 P C 0.344 177.488 177.300 -0.259 0.000 1.286 78 P CA 0.208 63.218 63.100 -0.150 0.000 0.777 78 P CB 0.498 32.127 31.700 -0.117 0.000 1.184 79 G N -0.911 107.777 108.800 -0.186 0.000 2.634 79 G HA2 0.230 4.190 3.960 -0.000 0.000 0.255 79 G HA3 0.230 4.190 3.960 -0.000 0.000 0.255 79 G C -0.601 174.117 174.900 -0.304 0.000 1.205 79 G CA -0.195 44.780 45.100 -0.208 0.000 0.884 79 G HN 0.567 nan 8.290 nan 0.000 0.549 80 H N 0.066 119.149 119.070 0.022 0.000 2.646 80 H HA 0.282 4.838 4.556 -0.000 0.000 0.328 80 H C -0.563 174.809 175.328 0.072 0.000 0.998 80 H CA -0.739 55.358 56.048 0.082 0.000 1.225 80 H CB 1.104 30.892 29.762 0.044 0.000 1.457 80 H HN 0.247 nan 8.280 nan 0.000 0.505 81 F N 1.182 121.208 119.950 0.127 0.000 2.545 81 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 81 F C 1.477 177.316 175.800 0.065 0.000 1.163 81 F CA 1.027 59.069 58.000 0.071 0.000 1.331 81 F CB 0.826 39.845 39.000 0.032 0.000 1.138 81 F HN 0.552 nan 8.300 nan 0.000 0.602 82 G N 0.426 109.331 108.800 0.174 0.000 3.140 82 G HA2 0.646 4.606 3.960 -0.000 0.000 0.271 82 G HA3 0.646 4.606 3.960 -0.000 0.000 0.271 82 G C -1.701 173.349 174.900 0.251 0.000 1.370 82 G CA -0.611 44.592 45.100 0.171 0.000 1.014 82 G HN 0.866 nan 8.290 nan 0.000 0.541 83 H N -2.889 116.203 119.070 0.036 0.000 2.933 83 H HA 0.767 5.323 4.556 -0.000 0.000 0.310 83 H C -1.720 173.616 175.328 0.014 0.000 1.351 83 H CA -1.123 54.939 56.048 0.025 0.000 1.137 83 H CB 1.856 31.623 29.762 0.008 0.000 1.853 83 H HN 0.472 nan 8.280 nan 0.000 0.539 84 I N 1.801 122.210 120.570 -0.267 0.000 2.611 84 I HA 0.103 4.273 4.170 -0.000 0.000 0.287 84 I C -1.293 174.722 176.117 -0.170 0.000 1.184 84 I CA -0.737 60.389 61.300 -0.289 0.000 1.054 84 I CB 1.977 39.898 38.000 -0.131 0.000 1.257 84 I HN 0.638 nan 8.210 nan 0.000 0.435 85 D N 8.239 128.524 120.400 -0.191 0.000 2.344 85 D HA 0.254 4.894 4.640 -0.000 0.000 0.253 85 D C 0.417 176.696 176.300 -0.035 0.000 1.255 85 D CA 0.026 54.000 54.000 -0.044 0.000 0.894 85 D CB 1.212 42.001 40.800 -0.019 0.000 1.067 85 D HN 0.314 nan 8.370 nan 0.000 0.492 86 L N 1.008 122.228 121.223 -0.005 0.000 2.461 86 L HA 0.037 4.377 4.340 -0.000 0.000 0.259 86 L C 1.678 178.544 176.870 -0.008 0.000 1.248 86 L CA -0.145 54.692 54.840 -0.005 0.000 0.823 86 L CB 0.286 42.353 42.059 0.014 0.000 1.111 86 L HN 0.397 nan 8.230 nan 0.000 0.516 87 A N 0.317 123.131 122.820 -0.011 0.000 2.140 87 A HA 0.207 4.527 4.320 -0.000 0.000 0.209 87 A C 0.523 178.102 177.584 -0.008 0.000 1.181 87 A CA 0.504 52.534 52.037 -0.012 0.000 0.824 87 A CB 0.298 19.287 19.000 -0.019 0.000 0.879 87 A HN 0.675 nan 8.150 nan 0.000 0.480 88 K N 0.377 120.771 120.400 -0.011 0.000 2.543 88 K HA 0.347 4.667 4.320 -0.000 0.000 0.255 88 K C -3.162 173.423 176.600 -0.024 0.000 0.934 88 K CA -2.020 54.256 56.287 -0.019 0.000 0.810 88 K CB 2.507 34.987 32.500 -0.033 0.000 1.315 88 K HN -0.050 nan 8.250 nan 0.000 0.433 89 P HA -0.016 nan 4.420 nan 0.000 0.266 89 P C -0.653 176.591 177.300 -0.093 0.000 1.186 89 P CA -0.115 62.967 63.100 -0.030 0.000 0.767 89 P CB 0.605 32.289 31.700 -0.028 0.000 0.820 90 V N 2.846 122.723 119.914 -0.061 0.000 2.841 90 V HA 0.289 4.408 4.120 -0.000 0.000 0.310 90 V C 0.175 176.269 176.094 0.001 0.000 1.090 90 V CA -0.702 61.541 62.300 -0.096 0.000 0.930 90 V CB 1.504 33.327 31.823 0.000 0.000 1.014 90 V HN 0.305 nan 8.190 nan 0.000 0.425 91 F N 2.238 122.267 119.950 0.131 0.000 2.539 91 F HA 0.217 4.744 4.527 -0.000 0.000 0.340 91 F C 0.939 176.836 175.800 0.161 0.000 1.185 91 F CA 0.078 58.179 58.000 0.168 0.000 1.333 91 F CB 0.089 39.180 39.000 0.151 0.000 1.152 91 F HN 0.532 nan 8.300 nan 0.000 0.602 92 H N 3.153 122.421 119.070 0.330 0.000 2.724 92 H HA 0.239 4.794 4.556 -0.000 0.000 0.278 92 H C 0.984 176.294 175.328 -0.029 0.000 1.159 92 H CA -0.423 55.684 56.048 0.099 0.000 1.254 92 H CB 0.436 30.248 29.762 0.084 0.000 1.412 92 H HN 0.493 nan 8.280 nan 0.000 0.488 93 V N 4.262 124.193 119.914 0.029 0.000 2.295 93 V HA -0.400 3.720 4.120 -0.000 0.000 0.261 93 V C 2.481 178.599 176.094 0.041 0.000 1.097 93 V CA 2.421 64.743 62.300 0.036 0.000 1.100 93 V CB -1.406 30.398 31.823 -0.032 0.000 0.737 93 V HN 0.749 nan 8.190 nan 0.000 0.458 94 G N -1.905 106.880 108.800 -0.026 0.000 2.534 94 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.217 94 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.217 94 G C 1.327 176.077 174.900 -0.250 0.000 1.128 94 G CA 0.642 45.622 45.100 -0.201 0.000 0.784 94 G HN 0.582 nan 8.290 nan 0.000 0.542 95 F N -0.265 119.651 119.950 -0.056 0.000 2.559 95 F HA 0.259 4.786 4.527 -0.000 0.000 0.286 95 F C 2.345 178.119 175.800 -0.044 0.000 1.108 95 F CA -0.682 57.261 58.000 -0.094 0.000 1.436 95 F CB 0.067 38.986 39.000 -0.135 0.000 1.130 95 F HN -0.037 nan 8.300 nan 0.000 0.584 96 I N 1.202 121.852 120.570 0.133 0.000 2.972 96 I HA -0.545 3.625 4.170 -0.000 0.000 0.209 96 I C 2.701 178.790 176.117 -0.048 0.000 0.859 96 I CA 1.825 63.080 61.300 -0.076 0.000 1.161 96 I CB -0.890 37.038 38.000 -0.121 0.000 0.895 96 I HN 0.210 nan 8.210 nan 0.000 0.355 97 A N -0.319 122.501 122.820 0.000 0.000 1.927 97 A HA -0.331 3.989 4.320 -0.000 0.000 0.220 97 A C 2.325 179.920 177.584 0.017 0.000 1.185 97 A CA 2.522 54.560 52.037 0.001 0.000 0.639 97 A CB -0.640 18.362 19.000 0.004 0.000 0.820 97 A HN 0.515 nan 8.150 nan 0.000 0.451 98 K N -0.497 119.932 120.400 0.048 0.000 2.062 98 K HA 0.018 4.338 4.320 -0.000 0.000 0.205 98 K C 1.809 178.455 176.600 0.078 0.000 1.051 98 K CA 1.172 57.482 56.287 0.037 0.000 0.941 98 K CB -0.290 32.180 32.500 -0.050 0.000 0.719 98 K HN 0.540 nan 8.250 nan 0.000 0.440 99 I N 1.341 121.965 120.570 0.090 0.000 2.194 99 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 99 I C 2.509 178.778 176.117 0.253 0.000 1.093 99 I CA 1.400 62.816 61.300 0.193 0.000 1.355 99 I CB -0.378 37.733 38.000 0.185 0.000 1.046 99 I HN 0.251 nan 8.210 nan 0.000 0.413 100 K N 1.868 122.337 120.400 0.116 0.000 1.984 100 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 100 K C 2.148 178.885 176.600 0.227 0.000 1.046 100 K CA 1.491 57.854 56.287 0.127 0.000 0.934 100 K CB -0.059 32.473 32.500 0.054 0.000 0.717 100 K HN 0.122 nan 8.250 nan 0.000 0.438 101 K N 0.456 120.972 120.400 0.194 0.000 2.281 101 K HA -0.111 4.209 4.320 -0.000 0.000 0.203 101 K C 1.934 178.802 176.600 0.447 0.000 1.046 101 K CA 1.245 57.688 56.287 0.259 0.000 0.938 101 K CB 0.004 32.397 32.500 -0.179 0.000 0.737 101 K HN 0.063 nan 8.250 nan 0.000 0.458 102 V N 0.728 120.882 119.914 0.399 0.000 2.270 102 V HA -0.322 3.798 4.120 -0.000 0.000 0.245 102 V C 2.450 178.829 176.094 0.476 0.000 1.043 102 V CA 1.564 64.112 62.300 0.412 0.000 1.014 102 V CB -0.664 31.252 31.823 0.155 0.000 0.645 102 V HN 0.411 nan 8.190 nan 0.000 0.447 103 C N 0.514 120.100 119.300 0.475 0.000 2.367 103 C HA -0.229 4.231 4.460 -0.000 0.000 0.276 103 C C 2.662 177.789 174.990 0.229 0.000 1.195 103 C CA 1.479 60.665 59.018 0.280 0.000 1.756 103 C CB -1.294 26.540 27.740 0.157 0.000 2.046 103 C HN 0.635 nan 8.230 nan 0.000 0.453 104 E N -0.977 119.380 120.200 0.261 0.000 2.393 104 E HA -0.222 4.128 4.350 -0.000 0.000 0.201 104 E C 1.793 178.496 176.600 0.171 0.000 1.025 104 E CA 1.130 57.653 56.400 0.205 0.000 0.856 104 E CB -0.203 29.688 29.700 0.318 0.000 0.771 104 E HN 0.720 nan 8.360 nan 0.000 0.526 105 C N -0.045 119.414 119.300 0.264 0.000 2.935 105 C HA 0.181 4.641 4.460 -0.000 0.000 0.308 105 C C 1.069 176.163 174.990 0.174 0.000 1.263 105 C CA -0.443 58.708 59.018 0.221 0.000 1.738 105 C CB 0.312 28.252 27.740 0.333 0.000 2.237 105 C HN 0.049 nan 8.230 nan 0.000 0.600 106 V N -0.354 119.676 119.914 0.194 0.000 3.193 106 V HA 0.406 4.526 4.120 -0.000 0.000 0.320 106 V C -0.222 175.945 176.094 0.121 0.000 1.112 106 V CA -0.706 61.691 62.300 0.161 0.000 1.026 106 V CB 1.582 33.532 31.823 0.213 0.000 1.128 106 V HN 0.369 nan 8.190 nan 0.000 0.452 107 C N 4.655 124.018 119.300 0.106 0.000 2.303 107 C HA 0.606 5.065 4.460 -0.000 0.000 0.326 107 C C 0.315 175.376 174.990 0.117 0.000 1.285 107 C CA -0.972 58.106 59.018 0.100 0.000 1.675 107 C CB -0.296 27.494 27.740 0.083 0.000 2.289 107 C HN 0.762 nan 8.230 nan 0.000 0.512 108 M N 5.215 124.896 119.600 0.135 0.000 2.167 108 M HA 0.234 4.714 4.480 -0.000 0.000 0.300 108 M C 1.343 177.781 176.300 0.229 0.000 1.171 108 M CA 0.877 56.265 55.300 0.147 0.000 1.171 108 M CB -0.427 32.289 32.600 0.194 0.000 1.396 108 M HN 1.027 nan 8.290 nan 0.000 0.466 109 H N -0.156 118.950 119.070 0.060 0.000 4.720 109 H HA -0.231 4.325 4.556 -0.000 0.000 0.063 109 H C 1.575 176.906 175.328 0.004 0.000 0.618 109 H CA 2.636 58.704 56.048 0.034 0.000 0.917 109 H CB -1.164 28.620 29.762 0.036 0.000 0.416 109 H HN 0.860 nan 8.280 nan 0.000 0.810 110 C N 0.914 120.343 119.300 0.214 0.000 2.513 110 C HA 0.645 5.105 4.460 -0.000 0.000 0.292 110 C C 1.733 176.753 174.990 0.050 0.000 1.359 110 C CA 1.299 60.369 59.018 0.085 0.000 1.778 110 C CB -0.016 27.758 27.740 0.056 0.000 2.180 110 C HN 1.628 nan 8.230 nan 0.000 0.509 111 G N 1.427 110.279 108.800 0.087 0.000 2.356 111 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.233 111 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.233 111 G C -0.460 174.488 174.900 0.081 0.000 1.105 111 G CA 0.349 45.511 45.100 0.104 0.000 0.861 111 G HN 0.944 nan 8.290 nan 0.000 0.493 112 K N -0.389 120.052 120.400 0.068 0.000 2.395 112 K HA 0.740 5.060 4.320 -0.000 0.000 0.247 112 K C 0.637 177.276 176.600 0.064 0.000 0.973 112 K CA -1.169 55.148 56.287 0.050 0.000 0.828 112 K CB 1.344 33.861 32.500 0.029 0.000 1.272 112 K HN 0.128 nan 8.250 nan 0.000 0.439 113 L N 3.617 124.874 121.223 0.056 0.000 2.483 113 L HA 0.030 4.370 4.340 -0.000 0.000 0.276 113 L C 0.887 177.789 176.870 0.054 0.000 1.213 113 L CA 0.046 54.926 54.840 0.066 0.000 0.843 113 L CB 0.447 42.541 42.059 0.059 0.000 1.107 113 L HN 0.650 nan 8.230 nan 0.000 0.487 114 L N 5.264 126.520 121.223 0.056 0.000 2.660 114 L HA 0.216 4.555 4.340 -0.000 0.000 0.238 114 L C -0.263 176.625 176.870 0.030 0.000 1.161 114 L CA 0.303 55.167 54.840 0.039 0.000 0.937 114 L CB -0.432 41.646 42.059 0.031 0.000 1.122 114 L HN 0.470 nan 8.230 nan 0.000 0.435 115 L N -0.715 120.527 121.223 0.033 0.000 2.666 115 L HA 0.333 4.673 4.340 -0.000 0.000 0.259 115 L C -1.219 175.661 176.870 0.016 0.000 0.919 115 L CA -0.495 54.362 54.840 0.028 0.000 0.927 115 L CB 2.701 44.772 42.059 0.020 0.000 1.423 115 L HN -0.034 nan 8.230 nan 0.000 0.426 116 D N 0.934 121.336 120.400 0.004 0.000 2.668 116 D HA 0.253 4.893 4.640 -0.000 0.000 0.249 116 D C 0.080 176.342 176.300 -0.064 0.000 1.150 116 D CA -0.439 53.521 54.000 -0.066 0.000 1.090 116 D CB 0.998 41.683 40.800 -0.193 0.000 1.244 116 D HN 0.488 nan 8.370 nan 0.000 0.636 117 E N -0.271 119.841 120.200 -0.145 0.000 2.427 117 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 117 E C 1.498 178.092 176.600 -0.010 0.000 1.028 117 E CA 0.759 57.112 56.400 -0.078 0.000 0.864 117 E CB -0.204 29.438 29.700 -0.096 0.000 0.813 117 E HN 0.330 nan 8.360 nan 0.000 0.514 118 H N 0.550 119.626 119.070 0.009 0.000 2.387 118 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 118 H C 0.797 176.128 175.328 0.005 0.000 1.090 118 H CA 0.958 57.010 56.048 0.006 0.000 1.332 118 H CB -0.214 29.551 29.762 0.004 0.000 1.386 118 H HN 0.113 nan 8.280 nan 0.000 0.516 119 N N 1.202 119.972 118.700 0.117 0.000 2.444 119 N HA -0.053 4.687 4.740 -0.000 0.000 0.271 119 N C 1.109 176.645 175.510 0.043 0.000 1.069 119 N CA 0.085 53.174 53.050 0.065 0.000 0.965 119 N CB 1.977 40.490 38.487 0.044 0.000 1.092 119 N HN 0.237 nan 8.380 nan 0.000 0.476 120 E N 4.148 124.370 120.200 0.036 0.000 2.000 120 E HA -0.159 4.191 4.350 -0.000 0.000 0.199 120 E C 1.741 178.353 176.600 0.020 0.000 1.011 120 E CA 1.249 57.665 56.400 0.027 0.000 0.836 120 E CB -0.421 29.292 29.700 0.023 0.000 0.778 120 E HN 0.697 nan 8.360 nan 0.000 0.462 121 L N -0.064 121.168 121.223 0.015 0.000 2.211 121 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 121 L C 2.498 179.376 176.870 0.013 0.000 1.092 121 L CA 1.480 56.327 54.840 0.011 0.000 0.767 121 L CB -0.240 41.821 42.059 0.003 0.000 0.894 121 L HN 0.463 nan 8.230 nan 0.000 0.437 122 M N -0.445 119.164 119.600 0.015 0.000 2.077 122 M HA -0.207 4.273 4.480 -0.000 0.000 0.261 122 M C 2.245 178.558 176.300 0.021 0.000 1.070 122 M CA 1.779 57.090 55.300 0.017 0.000 1.125 122 M CB -0.341 32.269 32.600 0.017 0.000 1.339 122 M HN -0.017 nan 8.290 nan 0.000 0.409 123 R N -0.400 120.111 120.500 0.019 0.000 2.119 123 R HA -0.261 4.079 4.340 -0.000 0.000 0.246 123 R C 2.409 178.723 176.300 0.023 0.000 1.146 123 R CA 2.244 58.355 56.100 0.018 0.000 0.962 123 R CB -0.670 29.640 30.300 0.017 0.000 0.863 123 R HN 0.643 nan 8.270 nan 0.000 0.442 124 Q N -0.283 119.531 119.800 0.023 0.000 2.152 124 Q HA -0.221 4.119 4.340 -0.000 0.000 0.206 124 Q C 1.849 177.866 176.000 0.029 0.000 0.985 124 Q CA 1.869 57.686 55.803 0.024 0.000 0.863 124 Q CB -0.016 28.735 28.738 0.021 0.000 0.904 124 Q HN 0.433 nan 8.270 nan 0.000 0.422 125 A N 0.299 123.138 122.820 0.031 0.000 1.855 125 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 125 A C 1.920 179.534 177.584 0.049 0.000 1.195 125 A CA 0.733 52.794 52.037 0.041 0.000 0.610 125 A CB -0.671 18.353 19.000 0.040 0.000 0.837 125 A HN 0.407 nan 8.150 nan 0.000 0.444 126 L N -0.214 121.037 121.223 0.047 0.000 2.456 126 L HA -0.247 4.093 4.340 -0.000 0.000 0.225 126 L C 2.770 179.668 176.870 0.047 0.000 1.142 126 L CA 0.761 55.631 54.840 0.051 0.000 0.796 126 L CB -0.611 41.470 42.059 0.038 0.000 0.920 126 L HN 0.478 nan 8.230 nan 0.000 0.446 127 A N 0.268 123.112 122.820 0.041 0.000 1.874 127 A HA 0.042 4.361 4.320 -0.000 0.000 0.214 127 A C 1.310 178.920 177.584 0.044 0.000 1.189 127 A CA 0.050 52.110 52.037 0.038 0.000 0.615 127 A CB -0.353 18.667 19.000 0.033 0.000 0.830 127 A HN 0.241 nan 8.150 nan 0.000 0.443 128 I N 1.930 122.528 120.570 0.047 0.000 3.311 128 I HA -0.150 4.019 4.170 -0.000 0.000 0.304 128 I C -0.203 175.948 176.117 0.057 0.000 1.245 128 I CA 0.607 61.938 61.300 0.051 0.000 1.369 128 I CB -0.153 37.880 38.000 0.056 0.000 1.433 128 I HN 0.280 nan 8.210 nan 0.000 0.525 129 K N 6.362 126.793 120.400 0.051 0.000 2.316 129 K HA 0.304 4.624 4.320 -0.000 0.000 0.289 129 K C -0.526 176.106 176.600 0.052 0.000 1.070 129 K CA -0.255 56.063 56.287 0.051 0.000 0.928 129 K CB 0.579 33.106 32.500 0.045 0.000 1.039 129 K HN 0.533 nan 8.250 nan 0.000 0.480 130 D N 1.481 121.917 120.400 0.058 0.000 3.464 130 D HA -0.113 4.527 4.640 -0.000 0.000 0.116 130 D C 0.817 177.159 176.300 0.069 0.000 0.794 130 D CA 0.327 54.360 54.000 0.055 0.000 2.035 130 D CB -0.379 40.452 40.800 0.052 0.000 1.147 130 D HN 0.381 nan 8.370 nan 0.000 0.924 131 S N 3.104 118.842 115.700 0.063 0.000 2.393 131 S HA -0.377 4.092 4.470 -0.000 0.000 0.235 131 S C 1.919 176.580 174.600 0.101 0.000 1.061 131 S CA 1.167 59.412 58.200 0.075 0.000 1.129 131 S CB -0.263 62.948 63.200 0.018 0.000 1.011 131 S HN 0.508 nan 8.310 nan 0.000 0.436 132 K N 1.692 122.128 120.400 0.061 0.000 2.015 132 K HA -0.147 4.173 4.320 -0.000 0.000 0.220 132 K C 2.251 178.927 176.600 0.126 0.000 1.055 132 K CA 2.081 58.416 56.287 0.079 0.000 0.951 132 K CB -0.590 31.934 32.500 0.040 0.000 0.725 132 K HN 0.562 nan 8.250 nan 0.000 0.449 133 K N 0.295 120.752 120.400 0.095 0.000 2.228 133 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 133 K C 2.336 178.996 176.600 0.100 0.000 1.051 133 K CA 0.354 56.692 56.287 0.086 0.000 0.960 133 K CB 0.043 32.581 32.500 0.064 0.000 0.743 133 K HN 0.116 nan 8.250 nan 0.000 0.458 134 R N 0.626 121.200 120.500 0.123 0.000 2.082 134 R HA -0.151 4.189 4.340 -0.000 0.000 0.228 134 R C 2.108 178.512 176.300 0.173 0.000 1.140 134 R CA 1.726 57.906 56.100 0.133 0.000 0.920 134 R CB -0.482 29.903 30.300 0.143 0.000 0.828 134 R HN 0.148 nan 8.270 nan 0.000 0.430 135 F N 1.417 121.419 119.950 0.088 0.000 2.287 135 F HA -0.193 4.334 4.527 -0.000 0.000 0.301 135 F C 1.790 177.667 175.800 0.129 0.000 1.069 135 F CA 1.275 59.343 58.000 0.114 0.000 1.372 135 F CB -0.254 38.802 39.000 0.092 0.000 1.056 135 F HN 0.181 nan 8.300 nan 0.000 0.523 136 A N 0.027 122.842 122.820 -0.008 0.000 1.929 136 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 136 A C 2.385 179.964 177.584 -0.008 0.000 1.176 136 A CA 1.323 53.315 52.037 -0.075 0.000 0.628 136 A CB -1.283 17.736 19.000 0.031 0.000 0.816 136 A HN 0.475 nan 8.150 nan 0.000 0.444 137 A N 0.247 123.082 122.820 0.024 0.000 1.843 137 A HA 0.082 4.402 4.320 -0.000 0.000 0.213 137 A C 1.953 179.553 177.584 0.026 0.000 1.239 137 A CA 1.081 53.140 52.037 0.036 0.000 0.606 137 A CB -0.814 18.209 19.000 0.038 0.000 0.903 137 A HN 0.400 nan 8.150 nan 0.000 0.455 138 I N -1.861 118.730 120.570 0.034 0.000 2.210 138 I HA -0.393 3.777 4.170 -0.000 0.000 0.249 138 I C 2.378 178.516 176.117 0.035 0.000 1.047 138 I CA 2.382 63.710 61.300 0.047 0.000 1.323 138 I CB -0.458 37.605 38.000 0.105 0.000 1.017 138 I HN 0.756 nan 8.210 nan 0.000 0.427 139 W N 1.794 122.943 121.300 -0.252 0.000 2.376 139 W HA -0.203 4.457 4.660 -0.000 0.000 0.324 139 W C 2.778 179.209 176.519 -0.148 0.000 1.191 139 W CA 2.329 59.516 57.345 -0.264 0.000 1.282 139 W CB -0.961 28.191 29.460 -0.513 0.000 1.185 139 W HN -0.074 nan 8.180 nan 0.000 0.458 140 T N 2.336 116.859 114.554 -0.052 0.000 2.718 140 T HA -0.339 4.011 4.350 -0.000 0.000 0.266 140 T C 1.864 176.399 174.700 -0.274 0.000 1.033 140 T CA 1.956 63.888 62.100 -0.281 0.000 1.151 140 T CB -0.806 68.053 68.868 -0.015 0.000 0.853 140 T HN 0.193 nan 8.240 nan 0.000 0.466 141 L N 0.726 121.862 121.223 -0.146 0.000 1.943 141 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 141 L C 2.288 179.073 176.870 -0.140 0.000 1.074 141 L CA 2.033 56.809 54.840 -0.108 0.000 0.759 141 L CB -0.442 41.590 42.059 -0.045 0.000 0.888 141 L HN 0.534 nan 8.230 nan 0.000 0.433 142 C N -2.209 117.008 119.300 -0.139 0.000 2.404 142 C HA 0.220 4.680 4.460 -0.000 0.000 0.325 142 C C 1.935 176.805 174.990 -0.199 0.000 1.363 142 C CA -0.796 58.147 59.018 -0.126 0.000 1.775 142 C CB -1.345 26.367 27.740 -0.046 0.000 2.254 142 C HN 0.462 nan 8.230 nan 0.000 0.568 143 K N 0.633 120.798 120.400 -0.391 0.000 2.167 143 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 143 K C 1.616 178.037 176.600 -0.297 0.000 1.052 143 K CA 1.593 57.578 56.287 -0.503 0.000 0.956 143 K CB -0.697 31.151 32.500 -1.087 0.000 0.735 143 K HN 0.307 nan 8.250 nan 0.000 0.451 144 T N 1.125 115.522 114.554 -0.261 0.000 2.737 144 T HA -0.055 4.295 4.350 -0.000 0.000 0.265 144 T C 0.707 175.341 174.700 -0.110 0.000 1.038 144 T CA 0.727 62.726 62.100 -0.169 0.000 1.144 144 T CB -0.091 68.689 68.868 -0.147 0.000 0.866 144 T HN 0.039 nan 8.240 nan 0.000 0.434 145 K N 2.377 122.720 120.400 -0.095 0.000 2.320 145 K HA 0.033 4.353 4.320 -0.000 0.000 0.273 145 K C -0.124 176.450 176.600 -0.044 0.000 1.146 145 K CA 0.398 56.652 56.287 -0.055 0.000 1.144 145 K CB -0.462 32.014 32.500 -0.039 0.000 0.878 145 K HN 0.402 nan 8.250 nan 0.000 0.458 146 M N 3.561 123.140 119.600 -0.035 0.000 2.972 146 M HA 0.148 4.628 4.480 -0.000 0.000 0.323 146 M C -0.883 175.420 176.300 0.005 0.000 1.213 146 M CA -0.368 54.917 55.300 -0.024 0.000 0.935 146 M CB 0.721 33.297 32.600 -0.040 0.000 1.289 146 M HN -0.028 nan 8.290 nan 0.000 0.525 147 V N -0.128 119.792 119.914 0.011 0.000 2.739 147 V HA 0.040 4.160 4.120 -0.000 0.000 0.293 147 V C -0.690 175.415 176.094 0.018 0.000 1.199 147 V CA -1.244 61.069 62.300 0.023 0.000 0.931 147 V CB 2.130 33.964 31.823 0.017 0.000 1.052 147 V HN 0.456 nan 8.190 nan 0.000 0.441 148 C N 6.277 125.590 119.300 0.022 0.000 2.833 148 C HA 0.156 4.616 4.460 -0.000 0.000 0.394 148 C C 1.111 176.105 174.990 0.006 0.000 1.136 148 C CA -0.318 58.710 59.018 0.016 0.000 1.250 148 C CB -1.822 25.925 27.740 0.012 0.000 1.848 148 C HN 0.860 nan 8.230 nan 0.000 0.572 149 E N 3.075 123.282 120.200 0.011 0.000 2.568 149 E HA -0.029 4.321 4.350 -0.000 0.000 0.262 149 E C 0.931 177.536 176.600 0.007 0.000 0.961 149 E CA 0.318 56.723 56.400 0.008 0.000 0.945 149 E CB 0.488 30.196 29.700 0.014 0.000 0.924 149 E HN 0.627 nan 8.360 nan 0.000 0.467 150 T N 1.329 115.882 114.554 -0.002 0.000 2.990 150 T HA 0.043 4.393 4.350 -0.000 0.000 0.250 150 T C -0.380 174.316 174.700 -0.007 0.000 1.041 150 T CA 0.129 62.226 62.100 -0.005 0.000 1.010 150 T CB 0.339 69.198 68.868 -0.015 0.000 1.003 150 T HN 0.402 nan 8.240 nan 0.000 0.499 151 D N 1.262 121.654 120.400 -0.014 0.000 2.970 151 D HA 0.466 5.105 4.640 -0.000 0.000 0.230 151 D C -1.088 175.187 176.300 -0.041 0.000 1.276 151 D CA -0.244 53.737 54.000 -0.032 0.000 0.910 151 D CB 3.021 43.801 40.800 -0.033 0.000 1.590 151 D HN 0.046 nan 8.370 nan 0.000 0.551 152 V N -0.161 119.706 119.914 -0.079 0.000 2.823 152 V HA 0.554 4.674 4.120 -0.000 0.000 0.312 152 V C -2.575 173.449 176.094 -0.116 0.000 1.072 152 V CA -2.201 60.049 62.300 -0.083 0.000 0.937 152 V CB 2.237 34.022 31.823 -0.064 0.000 1.013 152 V HN 0.315 nan 8.190 nan 0.000 0.430 153 P HA 0.118 nan 4.420 nan 0.000 0.267 153 P C 0.505 177.762 177.300 -0.073 0.000 1.328 153 P CA 0.349 63.411 63.100 -0.063 0.000 0.990 153 P CB 0.448 32.127 31.700 -0.035 0.000 1.168 154 S N 2.948 118.584 115.700 -0.106 0.000 2.737 154 S HA -0.110 4.359 4.470 -0.000 0.000 0.249 154 S C 0.829 175.414 174.600 -0.024 0.000 1.415 154 S CA 0.032 58.178 58.200 -0.091 0.000 0.967 154 S CB -0.043 63.103 63.200 -0.089 0.000 0.937 154 S HN 0.291 nan 8.310 nan 0.000 0.574 155 E N 1.249 121.453 120.200 0.006 0.000 2.528 155 E HA 0.178 4.528 4.350 -0.000 0.000 0.237 155 E C -0.192 176.412 176.600 0.008 0.000 1.408 155 E CA 0.211 56.621 56.400 0.017 0.000 1.571 155 E CB -0.376 29.344 29.700 0.035 0.000 1.395 155 E HN 0.510 nan 8.360 nan 0.000 0.438 156 D N -1.031 119.368 120.400 -0.003 0.000 2.988 156 D HA 0.092 4.732 4.640 -0.000 0.000 0.159 156 D C -0.296 176.000 176.300 -0.006 0.000 1.304 156 D CA -0.304 53.693 54.000 -0.004 0.000 1.564 156 D CB 0.146 40.942 40.800 -0.007 0.000 1.421 156 D HN 0.016 nan 8.370 nan 0.000 0.178 157 D N 1.412 121.805 120.400 -0.011 0.000 2.253 157 D HA 0.216 4.856 4.640 -0.000 0.000 0.249 157 D C -1.582 174.709 176.300 -0.015 0.000 1.049 157 D CA -1.274 52.719 54.000 -0.011 0.000 0.929 157 D CB 2.068 42.860 40.800 -0.012 0.000 1.176 157 D HN 0.011 nan 8.370 nan 0.000 0.437 158 P HA -0.015 nan 4.420 nan 0.000 0.240 158 P C 0.956 178.246 177.300 -0.016 0.000 1.190 158 P CA 0.469 63.560 63.100 -0.014 0.000 0.781 158 P CB 0.513 32.208 31.700 -0.010 0.000 0.931 159 T N 0.972 115.517 114.554 -0.015 0.000 2.590 159 T HA -0.121 4.229 4.350 -0.000 0.000 0.257 159 T C 0.659 175.347 174.700 -0.020 0.000 1.080 159 T CA 1.167 63.258 62.100 -0.015 0.000 1.180 159 T CB -0.899 67.962 68.868 -0.012 0.000 0.865 159 T HN 0.307 nan 8.240 nan 0.000 0.403 160 Q N 2.477 122.264 119.800 -0.022 0.000 2.324 160 Q HA 0.406 4.746 4.340 -0.000 0.000 0.257 160 Q C -0.849 175.128 176.000 -0.039 0.000 1.080 160 Q CA -0.069 55.718 55.803 -0.027 0.000 0.907 160 Q CB -0.062 28.662 28.738 -0.024 0.000 1.274 160 Q HN 0.252 nan 8.270 nan 0.000 0.434 161 L N 3.751 124.949 121.223 -0.041 0.000 2.305 161 L HA 0.390 4.729 4.340 -0.000 0.000 0.281 161 L C -0.073 176.755 176.870 -0.070 0.000 1.085 161 L CA -0.552 54.254 54.840 -0.056 0.000 0.813 161 L CB 0.998 43.031 42.059 -0.044 0.000 1.157 161 L HN 0.554 nan 8.230 nan 0.000 0.436 162 V N 2.077 121.924 119.914 -0.111 0.000 2.837 162 V HA 0.423 4.543 4.120 -0.000 0.000 0.310 162 V C 0.498 176.523 176.094 -0.115 0.000 1.059 162 V CA -0.710 61.514 62.300 -0.127 0.000 1.004 162 V CB 1.874 33.571 31.823 -0.209 0.000 1.045 162 V HN 0.943 nan 8.190 nan 0.000 0.465 163 S N 3.359 119.018 115.700 -0.069 0.000 2.578 163 S HA 0.747 5.216 4.470 -0.000 0.000 0.283 163 S C -0.125 174.482 174.600 0.011 0.000 1.195 163 S CA -0.739 57.443 58.200 -0.030 0.000 1.050 163 S CB 1.951 65.142 63.200 -0.014 0.000 1.012 163 S HN 0.877 nan 8.310 nan 0.000 0.511 164 R N 2.239 122.762 120.500 0.039 0.000 2.667 164 R HA 0.677 5.017 4.340 -0.000 0.000 0.102 164 R C 0.716 177.043 176.300 0.046 0.000 1.113 164 R CA -0.540 55.614 56.100 0.089 0.000 0.925 164 R CB -0.484 29.909 30.300 0.156 0.000 0.791 164 R HN 0.671 nan 8.270 nan 0.000 0.377 165 G N -0.119 108.704 108.800 0.039 0.000 2.476 165 G HA2 0.478 4.438 3.960 -0.000 0.000 0.286 165 G HA3 0.478 4.438 3.960 -0.000 0.000 0.286 165 G C -0.124 174.778 174.900 0.002 0.000 1.177 165 G CA -0.280 44.830 45.100 0.017 0.000 0.870 165 G HN 0.531 nan 8.290 nan 0.000 0.528 166 G N -1.329 107.465 108.800 -0.011 0.000 2.546 166 G HA2 0.437 4.397 3.960 -0.000 0.000 0.239 166 G HA3 0.437 4.397 3.960 -0.000 0.000 0.239 166 G C 0.753 175.623 174.900 -0.050 0.000 1.476 166 G CA 0.307 45.391 45.100 -0.028 0.000 1.064 166 G HN 2.069 nan 8.290 nan 0.000 0.561 167 C N -2.034 117.215 119.300 -0.086 0.000 1.569 167 C HA -0.012 4.448 4.460 -0.000 0.000 0.185 167 C C 1.546 176.463 174.990 -0.122 0.000 0.896 167 C CA -0.811 58.111 59.018 -0.161 0.000 3.365 167 C CB -1.756 25.798 27.740 -0.310 0.000 1.914 167 C HN 1.461 nan 8.230 nan 0.000 0.188 168 G N 3.428 112.171 108.800 -0.096 0.000 2.985 168 G HA2 0.095 4.055 3.960 -0.000 0.000 0.209 168 G HA3 0.095 4.055 3.960 -0.000 0.000 0.209 168 G C 0.534 175.413 174.900 -0.036 0.000 1.165 168 G CA -0.002 45.068 45.100 -0.051 0.000 0.776 168 G HN 1.021 nan 8.290 nan 0.000 0.541 169 N N 1.849 120.502 118.700 -0.078 0.000 1.807 169 N HA -0.100 4.639 4.740 -0.000 0.000 0.325 169 N C 0.268 175.828 175.510 0.082 0.000 1.287 169 N CA 0.947 53.989 53.050 -0.013 0.000 0.790 169 N CB 0.346 38.814 38.487 -0.032 0.000 1.020 169 N HN 0.026 nan 8.380 nan 0.000 0.505 170 T N 2.965 117.600 114.554 0.134 0.000 2.932 170 T HA -0.005 4.345 4.350 -0.000 0.000 0.312 170 T C 0.663 175.527 174.700 0.272 0.000 1.071 170 T CA -0.133 62.072 62.100 0.175 0.000 1.128 170 T CB 0.641 69.623 68.868 0.189 0.000 0.984 170 T HN 0.236 nan 8.240 nan 0.000 0.549 171 Q N 3.433 123.313 119.800 0.132 0.000 2.303 171 Q HA 0.283 4.623 4.340 -0.000 0.000 0.257 171 Q C -2.167 173.734 176.000 -0.164 0.000 0.941 171 Q CA -2.420 53.410 55.803 0.045 0.000 0.931 171 Q CB 1.296 30.042 28.738 0.013 0.000 1.215 171 Q HN 0.434 nan 8.270 nan 0.000 0.437 172 P HA -0.037 nan 4.420 nan 0.000 0.271 172 P C -0.199 176.829 177.300 -0.454 0.000 1.220 172 P CA -0.089 62.450 63.100 -0.934 0.000 0.768 172 P CB 0.643 31.197 31.700 -1.910 0.000 0.848 173 T N 4.722 119.083 114.554 -0.322 0.000 2.727 173 T HA 0.310 4.660 4.350 -0.000 0.000 0.295 173 T C 0.365 174.958 174.700 -0.178 0.000 0.915 173 T CA -0.393 61.597 62.100 -0.183 0.000 1.066 173 T CB -0.921 67.877 68.868 -0.117 0.000 0.891 173 T HN 0.176 nan 8.240 nan 0.000 0.516 174 I N 6.141 126.635 120.570 -0.126 0.000 2.499 174 I HA 0.547 4.717 4.170 -0.000 0.000 0.296 174 I C 0.591 176.697 176.117 -0.019 0.000 0.992 174 I CA -0.829 60.421 61.300 -0.082 0.000 1.297 174 I CB 1.080 39.054 38.000 -0.043 0.000 1.410 174 I HN 0.606 nan 8.210 nan 0.000 0.507 175 R N 4.065 124.558 120.500 -0.011 0.000 2.740 175 R HA 0.546 4.886 4.340 -0.000 0.000 0.273 175 R C -1.405 174.906 176.300 0.018 0.000 0.998 175 R CA -1.135 54.973 56.100 0.013 0.000 0.900 175 R CB 1.912 32.218 30.300 0.010 0.000 1.223 175 R HN 0.508 nan 8.270 nan 0.000 0.466 176 K N 1.158 121.572 120.400 0.023 0.000 2.118 176 K HA 0.197 4.517 4.320 -0.000 0.000 0.267 176 K C -1.355 175.264 176.600 0.031 0.000 0.991 176 K CA -0.402 55.897 56.287 0.019 0.000 0.916 176 K CB 1.115 33.622 32.500 0.011 0.000 1.041 176 K HN 0.691 nan 8.250 nan 0.000 0.455 177 D N 2.711 123.135 120.400 0.041 0.000 2.470 177 D HA 0.311 4.951 4.640 -0.000 0.000 0.233 177 D C 0.205 176.545 176.300 0.066 0.000 1.372 177 D CA 0.825 54.855 54.000 0.050 0.000 0.994 177 D CB 1.028 41.860 40.800 0.053 0.000 1.377 177 D HN 0.795 nan 8.370 nan 0.000 0.586 178 G N 2.900 111.740 108.800 0.067 0.000 2.611 178 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.301 178 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.301 178 G C 0.531 175.494 174.900 0.105 0.000 1.233 178 G CA 0.459 45.612 45.100 0.089 0.000 0.993 178 G HN 0.667 nan 8.290 nan 0.000 0.553 179 L N 1.055 122.367 121.223 0.149 0.000 2.848 179 L HA 0.349 4.689 4.340 -0.000 0.000 0.240 179 L C 0.403 177.447 176.870 0.291 0.000 1.232 179 L CA -0.009 54.953 54.840 0.203 0.000 1.031 179 L CB -0.195 42.012 42.059 0.247 0.000 1.338 179 L HN 0.197 nan 8.230 nan 0.000 0.509 180 K N 1.339 121.864 120.400 0.209 0.000 2.371 180 K HA 0.609 4.929 4.320 -0.000 0.000 0.251 180 K C -0.950 175.747 176.600 0.161 0.000 0.934 180 K CA -0.651 55.793 56.287 0.262 0.000 0.798 180 K CB 3.324 35.932 32.500 0.181 0.000 1.204 180 K HN 0.018 nan 8.250 nan 0.000 0.427 181 L N 1.914 123.254 121.223 0.195 0.000 2.307 181 L HA 0.505 4.844 4.340 -0.000 0.000 0.284 181 L C -0.571 176.361 176.870 0.104 0.000 1.023 181 L CA -1.036 53.858 54.840 0.091 0.000 0.810 181 L CB 1.808 43.899 42.059 0.053 0.000 1.231 181 L HN 0.178 nan 8.230 nan 0.000 0.423 182 V N 2.139 122.086 119.914 0.055 0.000 2.709 182 V HA 0.812 4.932 4.120 -0.000 0.000 0.308 182 V C 0.117 176.191 176.094 -0.034 0.000 1.062 182 V CA -0.357 61.969 62.300 0.042 0.000 0.901 182 V CB 2.086 33.944 31.823 0.058 0.000 1.003 182 V HN 0.856 nan 8.190 nan 0.000 0.425 183 G N 2.147 110.884 108.800 -0.105 0.000 2.605 183 G HA2 0.732 4.691 3.960 -0.000 0.000 0.296 183 G HA3 0.732 4.691 3.960 -0.000 0.000 0.296 183 G C -0.873 173.833 174.900 -0.324 0.000 1.304 183 G CA -0.362 44.551 45.100 -0.311 0.000 0.941 183 G HN 0.957 nan 8.290 nan 0.000 0.475 184 S N -0.299 115.189 115.700 -0.352 0.000 2.594 184 S HA 0.531 5.001 4.470 -0.000 0.000 0.296 184 S C -1.143 173.389 174.600 -0.114 0.000 1.124 184 S CA -0.802 57.343 58.200 -0.092 0.000 1.011 184 S CB 1.199 64.396 63.200 -0.005 0.000 1.016 184 S HN 0.606 nan 8.310 nan 0.000 0.485 185 W N 3.835 125.149 121.300 0.023 0.000 2.289 185 W HA 0.380 5.039 4.660 -0.000 0.000 0.342 185 W C 0.481 177.009 176.519 0.014 0.000 0.958 185 W CA -0.815 56.541 57.345 0.020 0.000 1.492 185 W CB 0.958 30.431 29.460 0.023 0.000 1.336 185 W HN 0.685 nan 8.180 nan 0.000 0.371 196 E N 0.522 120.740 120.200 0.031 0.000 8.389 196 E HA -0.116 4.234 4.350 -0.000 0.000 0.468 196 E C -2.913 173.720 176.600 0.054 0.000 0.993 196 E CA -0.495 55.927 56.400 0.037 0.000 1.743 196 E CB -0.220 29.499 29.700 0.032 0.000 0.996 196 E HN 0.204 nan 8.360 nan 0.000 0.262 197 P HA 0.254 nan 4.420 nan 0.000 0.282 197 P C -0.610 176.764 177.300 0.122 0.000 1.287 197 P CA -0.077 63.082 63.100 0.098 0.000 0.792 197 P CB 0.367 32.117 31.700 0.083 0.000 1.163 198 E N -0.083 120.237 120.200 0.199 0.000 3.105 198 E HA 0.233 4.583 4.350 -0.000 0.000 0.219 198 E C -0.351 176.419 176.600 0.283 0.000 1.064 198 E CA -0.348 56.178 56.400 0.210 0.000 1.342 198 E CB -0.217 29.605 29.700 0.203 0.000 1.295 198 E HN 0.315 nan 8.360 nan 0.000 0.438 199 L N 2.182 123.525 121.223 0.199 0.000 2.776 199 L HA -0.109 4.231 4.340 -0.000 0.000 0.283 199 L C 0.471 177.468 176.870 0.211 0.000 1.194 199 L CA 0.892 55.840 54.840 0.180 0.000 0.947 199 L CB -0.618 41.506 42.059 0.108 0.000 1.255 199 L HN 0.290 nan 8.230 nan 0.000 0.481 200 R N 2.228 122.895 120.500 0.278 0.000 2.680 200 R HA 0.602 4.942 4.340 -0.000 0.000 0.269 200 R C -1.843 174.604 176.300 0.245 0.000 1.026 200 R CA -0.833 55.432 56.100 0.275 0.000 0.889 200 R CB 1.516 32.020 30.300 0.341 0.000 1.241 200 R HN 0.160 nan 8.270 nan 0.000 0.463 201 V N 4.373 124.402 119.914 0.192 0.000 2.432 201 V HA 0.271 4.391 4.120 -0.000 0.000 0.271 201 V C 0.310 176.515 176.094 0.184 0.000 1.046 201 V CA -0.549 61.850 62.300 0.164 0.000 0.945 201 V CB 1.089 32.991 31.823 0.131 0.000 0.992 201 V HN 0.607 nan 8.190 nan 0.000 0.471 202 L N 4.842 126.174 121.223 0.181 0.000 2.433 202 L HA 0.192 4.532 4.340 -0.000 0.000 0.275 202 L C 0.970 177.940 176.870 0.166 0.000 1.128 202 L CA 0.524 55.476 54.840 0.188 0.000 0.875 202 L CB 1.040 43.202 42.059 0.171 0.000 1.171 202 L HN 0.793 nan 8.230 nan 0.000 0.463 203 S N 2.166 117.936 115.700 0.117 0.000 2.585 203 S HA 0.099 4.569 4.470 -0.000 0.000 0.273 203 S C 1.262 175.869 174.600 0.011 0.000 1.339 203 S CA -0.410 57.822 58.200 0.053 0.000 1.028 203 S CB 1.259 64.480 63.200 0.034 0.000 0.906 203 S HN 0.694 nan 8.310 nan 0.000 0.528 204 T N 4.117 118.613 114.554 -0.096 0.000 2.668 204 T HA -0.085 4.264 4.350 -0.000 0.000 0.262 204 T C 1.457 176.104 174.700 -0.087 0.000 1.045 204 T CA 1.903 63.874 62.100 -0.215 0.000 1.152 204 T CB -0.669 67.991 68.868 -0.346 0.000 0.864 204 T HN 0.805 nan 8.240 nan 0.000 0.419 205 E N 1.182 121.346 120.200 -0.060 0.000 2.219 205 E HA -0.147 4.203 4.350 -0.000 0.000 0.198 205 E C 2.042 178.632 176.600 -0.017 0.000 0.998 205 E CA 0.924 57.308 56.400 -0.027 0.000 0.818 205 E CB -0.177 29.512 29.700 -0.018 0.000 0.741 205 E HN 0.598 nan 8.360 nan 0.000 0.477 206 E N 0.254 120.447 120.200 -0.012 0.000 2.015 206 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 206 E C 1.862 178.439 176.600 -0.038 0.000 0.991 206 E CA 0.888 57.285 56.400 -0.005 0.000 0.802 206 E CB 0.095 29.811 29.700 0.028 0.000 0.759 206 E HN 0.137 nan 8.360 nan 0.000 0.447 207 I N 1.645 122.188 120.570 -0.045 0.000 2.058 207 I HA -0.306 3.864 4.170 -0.000 0.000 0.235 207 I C 2.756 178.778 176.117 -0.160 0.000 1.053 207 I CA 1.069 62.269 61.300 -0.166 0.000 1.313 207 I CB -1.377 36.618 38.000 -0.007 0.000 1.039 207 I HN 0.366 nan 8.210 nan 0.000 0.396 208 L N 1.003 122.237 121.223 0.019 0.000 2.058 208 L HA -0.376 3.964 4.340 -0.000 0.000 0.226 208 L C 2.591 179.483 176.870 0.037 0.000 1.089 208 L CA 2.351 57.251 54.840 0.099 0.000 0.799 208 L CB -0.530 41.567 42.059 0.063 0.000 0.900 208 L HN 0.451 nan 8.230 nan 0.000 0.442 209 N N 0.373 119.058 118.700 -0.025 0.000 2.058 209 N HA -0.228 4.512 4.740 -0.000 0.000 0.191 209 N C 1.920 177.405 175.510 -0.042 0.000 1.037 209 N CA 2.165 55.178 53.050 -0.062 0.000 0.848 209 N CB -0.288 38.177 38.487 -0.036 0.000 1.021 209 N HN 0.470 nan 8.380 nan 0.000 0.422 210 I N 0.510 121.052 120.570 -0.046 0.000 2.145 210 I HA -0.321 3.849 4.170 -0.000 0.000 0.244 210 I C 1.932 178.085 176.117 0.060 0.000 1.075 210 I CA 1.197 62.486 61.300 -0.018 0.000 1.332 210 I CB -0.345 37.551 38.000 -0.172 0.000 1.033 210 I HN 0.058 nan 8.210 nan 0.000 0.410 211 F N 1.118 121.092 119.950 0.040 0.000 2.075 211 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 211 F C 2.477 178.273 175.800 -0.007 0.000 1.113 211 F CA 1.285 59.291 58.000 0.010 0.000 1.218 211 F CB -1.084 37.903 39.000 -0.022 0.000 0.984 211 F HN -0.069 nan 8.300 nan 0.000 0.472 212 K N -0.789 119.683 120.400 0.119 0.000 2.189 212 K HA -0.227 4.093 4.320 -0.000 0.000 0.207 212 K C 1.560 178.128 176.600 -0.053 0.000 1.046 212 K CA 1.572 57.833 56.287 -0.042 0.000 0.928 212 K CB -0.352 32.034 32.500 -0.189 0.000 0.720 212 K HN 0.321 nan 8.250 nan 0.000 0.458 213 H N -0.224 118.876 119.070 0.050 0.000 2.543 213 H HA 0.141 4.697 4.556 -0.000 0.000 0.269 213 H C 0.272 175.598 175.328 -0.003 0.000 1.005 213 H CA 0.262 56.316 56.048 0.010 0.000 1.146 213 H CB -0.219 29.551 29.762 0.014 0.000 1.353 213 H HN 0.106 nan 8.280 nan 0.000 0.595 214 I N 2.229 122.876 120.570 0.129 0.000 2.441 214 I HA -0.033 4.137 4.170 -0.000 0.000 0.287 214 I C 0.808 176.802 176.117 -0.205 0.000 1.049 214 I CA -0.343 60.988 61.300 0.052 0.000 1.381 214 I CB 0.845 38.944 38.000 0.164 0.000 1.409 214 I HN 0.104 nan 8.210 nan 0.000 0.523 215 S N 5.074 120.651 115.700 -0.204 0.000 2.568 215 S HA 0.073 4.543 4.470 -0.000 0.000 0.282 215 S C 1.146 175.383 174.600 -0.606 0.000 1.338 215 S CA -0.913 57.092 58.200 -0.324 0.000 1.045 215 S CB 1.388 64.488 63.200 -0.167 0.000 0.873 215 S HN 0.421 nan 8.310 nan 0.000 0.516 216 V N 2.404 121.921 119.914 -0.662 0.000 2.568 216 V HA -0.149 3.971 4.120 -0.000 0.000 0.253 216 V C 2.542 178.498 176.094 -0.230 0.000 1.072 216 V CA 1.727 63.609 62.300 -0.696 0.000 1.084 216 V CB -0.890 30.723 31.823 -0.349 0.000 0.676 216 V HN 0.799 nan 8.190 nan 0.000 0.469 217 K N -0.255 120.057 120.400 -0.147 0.000 2.062 217 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 217 K C 1.893 178.503 176.600 0.017 0.000 1.051 217 K CA 1.160 57.427 56.287 -0.032 0.000 0.941 217 K CB -0.487 31.992 32.500 -0.035 0.000 0.719 217 K HN 0.458 nan 8.250 nan 0.000 0.440 218 D N 0.602 120.993 120.400 -0.016 0.000 2.117 218 D HA -0.104 4.536 4.640 -0.000 0.000 0.197 218 D C 1.899 178.280 176.300 0.135 0.000 0.987 218 D CA 0.661 54.689 54.000 0.047 0.000 0.829 218 D CB -0.286 40.529 40.800 0.026 0.000 0.961 218 D HN 0.112 nan 8.370 nan 0.000 0.460 219 F N 1.396 121.306 119.950 -0.068 0.000 2.094 219 F HA -0.367 4.160 4.527 -0.000 0.000 0.300 219 F C 2.764 178.565 175.800 0.001 0.000 1.217 219 F CA 1.454 59.380 58.000 -0.124 0.000 1.229 219 F CB -0.701 38.252 39.000 -0.077 0.000 0.934 219 F HN -0.004 nan 8.300 nan 0.000 0.542 220 T N -0.067 114.695 114.554 0.347 0.000 2.592 220 T HA -0.287 4.063 4.350 -0.000 0.000 0.267 220 T C 1.801 176.617 174.700 0.193 0.000 1.060 220 T CA 2.047 64.287 62.100 0.234 0.000 1.167 220 T CB -0.766 68.210 68.868 0.181 0.000 0.863 220 T HN 0.261 nan 8.240 nan 0.000 0.431 221 S N 1.367 117.164 115.700 0.161 0.000 2.420 221 S HA -0.032 4.438 4.470 -0.000 0.000 0.237 221 S C 1.775 176.500 174.600 0.208 0.000 1.023 221 S CA 0.857 59.147 58.200 0.150 0.000 0.991 221 S CB -0.452 62.817 63.200 0.116 0.000 0.792 221 S HN 0.393 nan 8.310 nan 0.000 0.488 222 L N 0.605 121.976 121.223 0.247 0.000 2.599 222 L HA 0.191 4.531 4.340 -0.000 0.000 0.230 222 L C 1.601 178.698 176.870 0.378 0.000 1.141 222 L CA 0.333 55.385 54.840 0.353 0.000 0.877 222 L CB -0.356 41.847 42.059 0.239 0.000 1.009 222 L HN 0.521 nan 8.230 nan 0.000 0.447 223 G N -1.207 107.762 108.800 0.283 0.000 2.141 223 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.231 223 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.231 223 G C 0.120 175.021 174.900 0.002 0.000 0.984 223 G CA -0.208 44.967 45.100 0.126 0.000 0.660 223 G HN 0.142 nan 8.290 nan 0.000 0.525 224 F N 0.259 120.136 119.950 -0.121 0.000 2.433 224 F HA 0.728 5.255 4.527 -0.000 0.000 0.288 224 F C 0.887 176.632 175.800 -0.091 0.000 0.996 224 F CA -0.756 57.133 58.000 -0.185 0.000 1.104 224 F CB 0.565 39.343 39.000 -0.369 0.000 1.946 224 F HN 0.165 nan 8.300 nan 0.000 0.583 225 N N -0.687 118.076 118.700 0.104 0.000 2.648 225 N HA 0.071 4.811 4.740 -0.000 0.000 0.272 225 N C -0.007 175.538 175.510 0.058 0.000 1.118 225 N CA -0.182 52.926 53.050 0.098 0.000 0.973 225 N CB 1.022 39.592 38.487 0.138 0.000 1.565 225 N HN 0.607 nan 8.380 nan 0.000 0.542 226 E N 2.096 122.378 120.200 0.136 0.000 2.233 226 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 226 E C 0.285 176.926 176.600 0.069 0.000 1.004 226 E CA 1.791 58.307 56.400 0.193 0.000 0.819 226 E CB 0.238 30.048 29.700 0.184 0.000 0.738 226 E HN 0.502 nan 8.360 nan 0.000 0.478 227 V N -0.881 118.971 119.914 -0.103 0.000 2.690 227 V HA -0.012 4.107 4.120 -0.000 0.000 0.240 227 V C 1.628 177.580 176.094 -0.236 0.000 1.078 227 V CA 0.993 63.100 62.300 -0.322 0.000 1.102 227 V CB -0.352 30.927 31.823 -0.907 0.000 0.800 227 V HN 0.229 nan 8.190 nan 0.000 0.479 228 F N 0.957 120.998 119.950 0.152 0.000 2.622 228 F HA 0.231 4.758 4.527 -0.000 0.000 0.288 228 F C 1.171 177.039 175.800 0.114 0.000 1.120 228 F CA 0.636 58.674 58.000 0.064 0.000 1.423 228 F CB 0.398 39.390 39.000 -0.014 0.000 1.127 228 F HN 0.219 nan 8.300 nan 0.000 0.588 229 S N 0.508 116.432 115.700 0.373 0.000 2.488 229 S HA 0.394 4.864 4.470 -0.000 0.000 0.151 229 S C -0.665 174.079 174.600 0.241 0.000 1.401 229 S CA -0.867 57.534 58.200 0.336 0.000 1.221 229 S CB 0.119 63.350 63.200 0.052 0.000 1.407 229 S HN 0.076 nan 8.310 nan 0.000 0.406 230 R N 2.093 122.684 120.500 0.153 0.000 2.438 230 R HA 0.286 4.625 4.340 -0.000 0.000 0.287 230 R C -1.856 174.162 176.300 -0.470 0.000 1.077 230 R CA -1.860 53.825 56.100 -0.692 0.000 1.034 230 R CB 0.178 29.758 30.300 -1.201 0.000 0.993 230 R HN 0.265 nan 8.270 nan 0.000 0.459 231 P HA -0.311 nan 4.420 nan 0.000 0.218 231 P C 0.834 177.843 177.300 -0.485 0.000 1.154 231 P CA 1.534 64.149 63.100 -0.809 0.000 0.872 231 P CB 0.070 30.982 31.700 -1.314 0.000 0.790 232 E N -1.647 118.326 120.200 -0.380 0.000 2.267 232 E HA -0.211 4.139 4.350 -0.000 0.000 0.197 232 E C 1.361 177.958 176.600 -0.005 0.000 0.998 232 E CA 0.981 57.299 56.400 -0.137 0.000 0.830 232 E CB -1.022 28.556 29.700 -0.203 0.000 0.751 232 E HN 0.365 nan 8.360 nan 0.000 0.491 233 W N 0.757 122.047 121.300 -0.018 0.000 2.770 233 W HA 0.217 4.877 4.660 -0.000 0.000 0.256 233 W C 1.929 178.490 176.519 0.070 0.000 1.291 233 W CA 0.105 57.474 57.345 0.040 0.000 1.396 233 W CB -0.352 29.124 29.460 0.027 0.000 1.114 233 W HN 0.116 nan 8.180 nan 0.000 0.637 234 M N -0.271 119.442 119.600 0.188 0.000 2.539 234 M HA -0.081 4.399 4.480 -0.000 0.000 0.261 234 M C 0.400 176.942 176.300 0.403 0.000 1.069 234 M CA 1.245 56.648 55.300 0.172 0.000 1.081 234 M CB -0.321 32.227 32.600 -0.087 0.000 1.412 234 M HN -0.319 nan 8.290 nan 0.000 0.482 235 I N 1.277 122.059 120.570 0.354 0.000 2.339 235 I HA 0.233 4.402 4.170 -0.000 0.000 0.290 235 I C -0.336 175.954 176.117 0.287 0.000 0.994 235 I CA -0.631 60.871 61.300 0.337 0.000 1.191 235 I CB 1.311 39.486 38.000 0.291 0.000 1.343 235 I HN 0.027 nan 8.210 nan 0.000 0.458 236 L N 6.263 127.639 121.223 0.254 0.000 2.426 236 L HA 0.270 4.610 4.340 -0.000 0.000 0.271 236 L C 0.741 177.696 176.870 0.142 0.000 1.169 236 L CA 0.260 55.222 54.840 0.204 0.000 0.836 236 L CB 0.558 42.720 42.059 0.172 0.000 1.112 236 L HN 0.698 nan 8.230 nan 0.000 0.465 237 T N -0.460 114.179 114.554 0.141 0.000 3.154 237 T HA 0.061 4.411 4.350 -0.000 0.000 0.258 237 T C -0.275 174.484 174.700 0.097 0.000 0.899 237 T CA 0.002 62.166 62.100 0.108 0.000 0.908 237 T CB 0.432 69.374 68.868 0.124 0.000 1.260 237 T HN 0.612 nan 8.240 nan 0.000 0.521 238 C N 2.537 121.903 119.300 0.111 0.000 2.396 238 C HA 0.803 5.263 4.460 -0.000 0.000 0.321 238 C C -1.346 173.698 174.990 0.090 0.000 1.233 238 C CA -1.024 58.059 59.018 0.109 0.000 1.440 238 C CB 0.042 27.855 27.740 0.122 0.000 2.110 238 C HN 0.421 nan 8.230 nan 0.000 0.473 239 L N 9.202 130.474 121.223 0.082 0.000 2.264 239 L HA 0.522 4.862 4.340 -0.000 0.000 0.287 239 L C -1.917 175.016 176.870 0.106 0.000 1.039 239 L CA -1.879 53.011 54.840 0.085 0.000 0.829 239 L CB 1.304 43.398 42.059 0.057 0.000 1.211 239 L HN 0.532 nan 8.230 nan 0.000 0.427 240 P HA -0.007 nan 4.420 nan 0.000 0.263 240 P C -0.742 176.717 177.300 0.265 0.000 1.195 240 P CA 0.049 63.271 63.100 0.202 0.000 0.762 240 P CB 0.869 32.638 31.700 0.116 0.000 0.799 241 V N 6.786 126.815 119.914 0.193 0.000 2.277 241 V HA 0.190 4.310 4.120 -0.000 0.000 0.269 241 V C -1.679 174.263 176.094 -0.254 0.000 1.036 241 V CA -2.017 60.292 62.300 0.015 0.000 0.821 241 V CB 0.835 32.654 31.823 -0.006 0.000 1.052 241 V HN 0.553 nan 8.190 nan 0.000 0.462 242 P HA 0.110 nan 4.420 nan 0.000 0.262 242 P C -2.577 174.469 177.300 -0.423 0.000 1.182 242 P CA -0.739 61.959 63.100 -0.670 0.000 0.761 242 P CB 0.330 31.878 31.700 -0.253 0.000 0.795 243 P HA 0.207 nan 4.420 nan 0.000 0.281 243 P C -2.086 175.117 177.300 -0.162 0.000 1.249 243 P CA -1.977 60.983 63.100 -0.234 0.000 0.810 243 P CB 0.022 31.603 31.700 -0.198 0.000 1.008 244 P HA -0.257 nan 4.420 nan 0.000 0.224 244 P C -1.240 176.009 177.300 -0.086 0.000 1.031 244 P CA 3.136 66.184 63.100 -0.087 0.000 1.031 244 P CB -2.189 29.472 31.700 -0.066 0.000 0.742 245 P HA -0.154 nan 4.420 nan 0.000 0.219 245 P C 1.307 178.568 177.300 -0.066 0.000 1.147 245 P CA 1.350 64.407 63.100 -0.071 0.000 0.821 245 P CB -0.424 31.233 31.700 -0.071 0.000 0.771 246 V N -0.726 119.141 119.914 -0.079 0.000 2.725 246 V HA -0.052 4.068 4.120 -0.000 0.000 0.247 246 V C 1.584 177.643 176.094 -0.058 0.000 1.058 246 V CA 1.376 63.638 62.300 -0.063 0.000 1.080 246 V CB -0.734 31.043 31.823 -0.077 0.000 0.713 246 V HN 0.225 nan 8.190 nan 0.000 0.465 247 R N 0.909 121.365 120.500 -0.073 0.000 2.772 247 R HA 0.314 4.654 4.340 -0.000 0.000 0.358 247 R C -2.887 173.358 176.300 -0.092 0.000 1.143 247 R CA -1.316 54.738 56.100 -0.077 0.000 1.153 247 R CB -0.117 30.138 30.300 -0.075 0.000 1.329 247 R HN 0.261 nan 8.270 nan 0.000 0.615 248 P HA -0.087 nan 4.420 nan 0.000 0.269 248 P C 0.176 177.421 177.300 -0.092 0.000 1.211 248 P CA 0.373 63.425 63.100 -0.081 0.000 0.781 248 P CB 1.107 32.764 31.700 -0.071 0.000 0.877 249 S N 1.816 117.465 115.700 -0.086 0.000 2.282 249 S HA 0.423 4.893 4.470 -0.000 0.000 0.184 249 S C 0.763 175.311 174.600 -0.087 0.000 1.310 249 S CA -0.346 57.803 58.200 -0.085 0.000 1.682 249 S CB -0.084 63.079 63.200 -0.062 0.000 0.641 249 S HN 0.579 nan 8.310 nan 0.000 0.404 250 I N 1.217 121.731 120.570 -0.094 0.000 2.116 250 I HA -0.037 4.133 4.170 -0.000 0.000 0.201 250 I C -0.474 175.483 176.117 -0.267 0.000 1.403 250 I CA -0.292 60.902 61.300 -0.175 0.000 1.377 250 I CB 0.001 37.896 38.000 -0.175 0.000 1.846 250 I HN 0.703 nan 8.210 nan 0.000 0.355 251 S N 1.981 117.572 115.700 -0.182 0.000 2.573 251 S HA 0.420 4.889 4.470 -0.000 0.000 0.277 251 S C -0.305 174.120 174.600 -0.291 0.000 1.346 251 S CA 0.158 58.292 58.200 -0.110 0.000 1.034 251 S CB 0.636 63.820 63.200 -0.026 0.000 0.879 251 S HN 0.310 nan 8.310 nan 0.000 0.528 252 F N 2.710 122.657 119.950 -0.005 0.000 2.532 252 F HA 0.443 4.970 4.527 -0.000 0.000 0.313 252 F C 1.155 176.953 175.800 -0.002 0.000 1.301 252 F CA -0.580 57.419 58.000 -0.003 0.000 1.154 252 F CB -0.956 38.044 39.000 0.001 0.000 1.335 252 F HN 0.896 nan 8.300 nan 0.000 0.542 253 N N 0.357 119.107 118.700 0.084 0.000 2.945 253 N HA -0.249 4.491 4.740 -0.000 0.000 0.209 253 N C 0.595 176.138 175.510 0.055 0.000 0.546 253 N CA 2.040 55.123 53.050 0.055 0.000 1.825 253 N CB -0.603 37.923 38.487 0.065 0.000 1.560 253 N HN 0.468 nan 8.380 nan 0.000 0.369 254 E N 0.009 120.247 120.200 0.063 0.000 3.846 254 E HA 0.280 4.630 4.350 -0.000 0.000 0.262 254 E C -0.131 176.507 176.600 0.063 0.000 0.786 254 E CA 0.194 56.624 56.400 0.051 0.000 1.620 254 E CB -0.078 29.641 29.700 0.032 0.000 1.928 254 E HN 0.549 nan 8.360 nan 0.000 0.410 255 S N 1.289 117.015 115.700 0.043 0.000 3.063 255 S HA -0.183 4.286 4.470 -0.000 0.000 0.321 255 S C 0.080 174.703 174.600 0.039 0.000 0.728 255 S CA 0.685 58.907 58.200 0.035 0.000 2.207 255 S CB -0.685 62.528 63.200 0.021 0.000 1.172 255 S HN 0.344 nan 8.310 nan 0.000 0.670 256 Q N 0.939 120.775 119.800 0.060 0.000 2.433 256 Q HA 0.525 4.865 4.340 -0.000 0.000 0.428 256 Q C 0.059 176.108 176.000 0.081 0.000 0.530 256 Q CA -1.093 54.739 55.803 0.048 0.000 0.985 256 Q CB 0.859 29.636 28.738 0.066 0.000 1.040 256 Q HN 0.417 nan 8.270 nan 0.000 0.346 257 R N -1.847 118.744 120.500 0.151 0.000 3.444 257 R HA 0.605 4.945 4.340 -0.000 0.000 0.255 257 R C -0.374 176.110 176.300 0.307 0.000 1.246 257 R CA 0.337 56.543 56.100 0.177 0.000 0.990 257 R CB 1.118 31.487 30.300 0.115 0.000 1.503 257 R HN 0.837 nan 8.270 nan 0.000 0.449 258 G N 0.234 109.181 108.800 0.246 0.000 2.977 258 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.211 258 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.211 258 G C -0.399 174.510 174.900 0.015 0.000 0.994 258 G CA -0.445 44.773 45.100 0.198 0.000 0.795 258 G HN 0.279 nan 8.290 nan 0.000 0.518 259 E N 1.578 121.734 120.200 -0.074 0.000 2.641 259 E HA 0.060 4.410 4.350 -0.000 0.000 0.272 259 E C -0.181 176.164 176.600 -0.425 0.000 0.990 259 E CA 0.534 56.734 56.400 -0.333 0.000 0.971 259 E CB 0.657 29.979 29.700 -0.632 0.000 0.967 259 E HN 0.517 nan 8.360 nan 0.000 0.464 260 D N 1.154 121.305 120.400 -0.415 0.000 2.193 260 D HA 0.030 4.670 4.640 -0.000 0.000 0.249 260 D C 0.226 176.333 176.300 -0.321 0.000 1.034 260 D CA -0.558 53.272 54.000 -0.284 0.000 0.902 260 D CB 0.957 41.659 40.800 -0.164 0.000 1.182 260 D HN 0.080 nan 8.370 nan 0.000 0.436 261 D N 2.140 122.458 120.400 -0.137 0.000 2.191 261 D HA -0.218 4.422 4.640 -0.000 0.000 0.190 261 D C 1.916 178.210 176.300 -0.008 0.000 1.007 261 D CA 1.327 55.316 54.000 -0.019 0.000 0.865 261 D CB 0.006 40.822 40.800 0.027 0.000 0.929 261 D HN 0.438 nan 8.370 nan 0.000 0.447 262 L N 0.170 121.383 121.223 -0.018 0.000 2.083 262 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 262 L C 2.350 179.205 176.870 -0.025 0.000 1.083 262 L CA 1.390 56.261 54.840 0.052 0.000 0.752 262 L CB -0.811 41.299 42.059 0.086 0.000 0.899 262 L HN 0.109 nan 8.230 nan 0.000 0.433 263 T N -0.417 114.054 114.554 -0.139 0.000 2.881 263 T HA -0.151 4.199 4.350 -0.000 0.000 0.270 263 T C 1.634 176.288 174.700 -0.076 0.000 1.068 263 T CA 1.351 63.350 62.100 -0.169 0.000 1.131 263 T CB -0.243 68.453 68.868 -0.287 0.000 0.871 263 T HN 0.215 nan 8.240 nan 0.000 0.479 264 F N 0.860 120.787 119.950 -0.039 0.000 2.147 264 F HA 0.123 4.650 4.527 -0.000 0.000 0.291 264 F C 2.493 178.229 175.800 -0.107 0.000 1.093 264 F CA 0.302 58.268 58.000 -0.057 0.000 1.263 264 F CB -0.040 38.938 39.000 -0.038 0.000 1.036 264 F HN -0.056 nan 8.300 nan 0.000 0.481 265 K N 1.112 121.564 120.400 0.086 0.000 2.362 265 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 265 K C 1.611 178.075 176.600 -0.226 0.000 1.045 265 K CA 1.026 57.263 56.287 -0.083 0.000 0.936 265 K CB -0.325 32.178 32.500 0.005 0.000 0.747 265 K HN 0.286 nan 8.250 nan 0.000 0.467 266 L N -1.027 120.068 121.223 -0.214 0.000 2.102 266 L HA 0.031 4.370 4.340 -0.000 0.000 0.202 266 L C 2.371 179.151 176.870 -0.149 0.000 1.076 266 L CA 0.886 55.542 54.840 -0.306 0.000 0.761 266 L CB -0.612 41.289 42.059 -0.263 0.000 0.921 266 L HN 0.205 nan 8.230 nan 0.000 0.444 267 A N 0.086 122.876 122.820 -0.049 0.000 1.986 267 A HA -0.270 4.049 4.320 -0.000 0.000 0.220 267 A C 1.809 179.383 177.584 -0.018 0.000 1.171 267 A CA 2.232 54.271 52.037 0.004 0.000 0.640 267 A CB -0.567 18.489 19.000 0.092 0.000 0.811 267 A HN 0.362 nan 8.150 nan 0.000 0.451 268 D N -0.081 120.278 120.400 -0.069 0.000 2.097 268 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 268 D C 1.854 178.203 176.300 0.081 0.000 0.984 268 D CA 1.136 55.083 54.000 -0.088 0.000 0.826 268 D CB -0.282 40.222 40.800 -0.493 0.000 0.973 268 D HN 0.512 nan 8.370 nan 0.000 0.460 269 I N 0.146 120.710 120.570 -0.011 0.000 2.226 269 I HA -0.212 3.957 4.170 -0.000 0.000 0.245 269 I C 2.232 178.362 176.117 0.020 0.000 1.100 269 I CA 0.479 61.814 61.300 0.059 0.000 1.374 269 I CB -0.157 37.787 38.000 -0.093 0.000 1.057 269 I HN 0.050 nan 8.210 nan 0.000 0.413 270 L N 1.157 122.364 121.223 -0.027 0.000 2.046 270 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 270 L C 2.438 179.298 176.870 -0.017 0.000 1.077 270 L CA 1.909 56.729 54.840 -0.033 0.000 0.747 270 L CB -0.595 41.441 42.059 -0.039 0.000 0.896 270 L HN 0.062 nan 8.230 nan 0.000 0.432 271 K N -0.723 119.681 120.400 0.008 0.000 1.991 271 K HA -0.142 4.177 4.320 -0.000 0.000 0.212 271 K C 2.068 178.677 176.600 0.015 0.000 1.049 271 K CA 1.534 57.826 56.287 0.008 0.000 0.932 271 K CB -0.555 31.963 32.500 0.029 0.000 0.717 271 K HN 0.423 nan 8.250 nan 0.000 0.441 272 A N 1.418 124.273 122.820 0.058 0.000 2.032 272 A HA -0.265 4.055 4.320 -0.000 0.000 0.221 272 A C 1.869 179.454 177.584 0.002 0.000 1.165 272 A CA 2.099 54.155 52.037 0.033 0.000 0.645 272 A CB -0.673 18.361 19.000 0.056 0.000 0.807 272 A HN 0.333 nan 8.150 nan 0.000 0.453 273 N N -0.109 118.588 118.700 -0.004 0.000 2.124 273 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 273 N C 1.551 177.037 175.510 -0.040 0.000 1.045 273 N CA 1.560 54.596 53.050 -0.024 0.000 0.846 273 N CB -0.318 38.149 38.487 -0.034 0.000 1.020 273 N HN 0.437 nan 8.380 nan 0.000 0.432 274 I N 0.081 120.618 120.570 -0.056 0.000 2.113 274 I HA -0.376 3.794 4.170 -0.000 0.000 0.242 274 I C 2.454 178.539 176.117 -0.054 0.000 1.057 274 I CA 1.523 62.778 61.300 -0.074 0.000 1.314 274 I CB -0.864 37.078 38.000 -0.098 0.000 1.022 274 I HN 0.265 nan 8.210 nan 0.000 0.408 275 S N 1.346 117.022 115.700 -0.040 0.000 2.377 275 S HA -0.285 4.184 4.470 -0.000 0.000 0.224 275 S C 2.116 176.700 174.600 -0.026 0.000 1.042 275 S CA 2.144 60.326 58.200 -0.030 0.000 1.086 275 S CB -0.682 62.503 63.200 -0.024 0.000 0.995 275 S HN 0.380 nan 8.310 nan 0.000 0.428 276 L N 1.953 123.161 121.223 -0.026 0.000 1.997 276 L HA -0.173 4.167 4.340 -0.000 0.000 0.216 276 L C 2.701 179.562 176.870 -0.016 0.000 1.074 276 L CA 2.768 57.594 54.840 -0.023 0.000 0.763 276 L CB -0.796 41.248 42.059 -0.024 0.000 0.890 276 L HN 0.572 nan 8.230 nan 0.000 0.434 277 E N -1.220 118.968 120.200 -0.020 0.000 2.153 277 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 277 E C 1.308 177.914 176.600 0.010 0.000 0.988 277 E CA 1.601 57.994 56.400 -0.011 0.000 0.811 277 E CB -0.082 29.598 29.700 -0.034 0.000 0.746 277 E HN 0.561 nan 8.360 nan 0.000 0.466 278 T N 1.075 115.627 114.554 -0.002 0.000 3.439 278 T HA 0.112 4.462 4.350 -0.000 0.000 0.251 278 T C 1.122 175.838 174.700 0.028 0.000 1.108 278 T CA 0.206 62.319 62.100 0.022 0.000 0.982 278 T CB -0.009 68.856 68.868 -0.005 0.000 1.024 278 T HN 0.172 nan 8.240 nan 0.000 0.573 279 L N -0.555 120.680 121.223 0.020 0.000 3.086 279 L HA 0.356 4.696 4.340 -0.000 0.000 0.274 279 L C 1.535 178.412 176.870 0.011 0.000 1.184 279 L CA 0.212 55.055 54.840 0.004 0.000 1.002 279 L CB 0.367 42.419 42.059 -0.011 0.000 1.383 279 L HN 0.208 nan 8.230 nan 0.000 0.582 280 E N -1.203 119.019 120.200 0.038 0.000 2.511 280 E HA -0.010 4.340 4.350 -0.000 0.000 0.209 280 E C 0.795 177.444 176.600 0.082 0.000 0.986 280 E CA 0.097 56.524 56.400 0.045 0.000 0.974 280 E CB 0.622 30.347 29.700 0.042 0.000 1.030 280 E HN 0.315 nan 8.360 nan 0.000 0.490 281 H N 0.182 119.243 119.070 -0.014 0.000 2.755 281 H HA 0.323 4.878 4.556 -0.000 0.000 0.273 281 H C -0.060 175.259 175.328 -0.015 0.000 1.055 281 H CA 0.137 56.178 56.048 -0.012 0.000 1.191 281 H CB 0.397 30.150 29.762 -0.016 0.000 1.536 281 H HN -0.032 nan 8.280 nan 0.000 0.529 282 N N -1.737 116.957 118.700 -0.010 0.000 3.283 282 N HA 0.307 5.047 4.740 -0.000 0.000 0.338 282 N C -0.448 175.030 175.510 -0.053 0.000 1.517 282 N CA -0.807 52.216 53.050 -0.045 0.000 0.733 282 N CB 0.999 39.483 38.487 -0.005 0.000 1.797 282 N HN 0.141 nan 8.380 nan 0.000 0.637 283 G N 0.011 108.779 108.800 -0.053 0.000 2.209 283 G HA2 0.282 4.242 3.960 -0.000 0.000 0.271 283 G HA3 0.282 4.242 3.960 -0.000 0.000 0.271 283 G C -0.182 174.671 174.900 -0.078 0.000 1.111 283 G CA -0.032 45.029 45.100 -0.065 0.000 1.092 283 G HN 0.520 nan 8.290 nan 0.000 0.416 284 A N 6.227 128.985 122.820 -0.103 0.000 3.094 284 A HA 0.515 4.835 4.320 -0.000 0.000 0.288 284 A C -1.650 175.776 177.584 -0.264 0.000 1.519 284 A CA -1.392 50.573 52.037 -0.120 0.000 1.227 284 A CB 0.230 19.197 19.000 -0.055 0.000 1.175 284 A HN 0.525 nan 8.150 nan 0.000 0.568 285 P HA -0.062 nan 4.420 nan 0.000 0.257 285 P C 0.661 177.871 177.300 -0.149 0.000 1.359 285 P CA 0.287 63.230 63.100 -0.261 0.000 1.239 285 P CB -0.336 31.297 31.700 -0.112 0.000 1.549 286 H N 1.288 120.412 119.070 0.089 0.000 2.200 286 H HA -0.234 4.322 4.556 -0.000 0.000 0.244 286 H C 0.177 175.753 175.328 0.415 0.000 1.176 286 H CA 1.952 58.120 56.048 0.200 0.000 1.304 286 H CB -1.178 28.660 29.762 0.127 0.000 1.592 286 H HN 0.623 nan 8.280 nan 0.000 0.603 287 H N -1.071 118.062 119.070 0.104 0.000 2.355 287 H HA 0.608 5.164 4.556 -0.000 0.000 0.232 287 H C 0.405 175.746 175.328 0.022 0.000 1.422 287 H CA 0.229 56.311 56.048 0.057 0.000 1.261 287 H CB 0.803 30.603 29.762 0.063 0.000 1.595 287 H HN 0.496 nan 8.280 nan 0.000 0.529 288 A N 0.092 122.954 122.820 0.069 0.000 2.644 288 A HA 0.222 4.542 4.320 -0.000 0.000 0.193 288 A C 1.457 179.033 177.584 -0.013 0.000 1.464 288 A CA -0.056 51.992 52.037 0.018 0.000 1.095 288 A CB 0.098 19.101 19.000 0.005 0.000 1.405 288 A HN 0.413 nan 8.150 nan 0.000 0.558 289 I N 0.784 121.342 120.570 -0.019 0.000 2.260 289 I HA -0.128 4.042 4.170 -0.000 0.000 0.237 289 I C 2.289 178.365 176.117 -0.068 0.000 1.075 289 I CA 1.655 62.933 61.300 -0.037 0.000 1.376 289 I CB -0.080 37.906 38.000 -0.023 0.000 1.107 289 I HN 0.548 nan 8.210 nan 0.000 0.420 290 E N 1.092 121.215 120.200 -0.128 0.000 2.501 290 E HA -0.221 4.129 4.350 -0.000 0.000 0.203 290 E C 1.387 177.929 176.600 -0.097 0.000 1.072 290 E CA 1.031 57.337 56.400 -0.155 0.000 0.885 290 E CB -0.420 29.089 29.700 -0.318 0.000 0.813 290 E HN 0.560 nan 8.360 nan 0.000 0.556 291 E N 0.363 120.522 120.200 -0.069 0.000 2.250 291 E HA 0.087 4.437 4.350 -0.000 0.000 0.192 291 E C 1.661 178.230 176.600 -0.052 0.000 0.986 291 E CA 0.698 57.070 56.400 -0.047 0.000 0.849 291 E CB 0.129 29.812 29.700 -0.027 0.000 0.797 291 E HN 0.418 nan 8.360 nan 0.000 0.482 292 A N 1.067 123.856 122.820 -0.051 0.000 2.308 292 A HA 0.015 4.334 4.320 -0.000 0.000 0.217 292 A C 1.783 179.337 177.584 -0.050 0.000 1.216 292 A CA 0.054 52.060 52.037 -0.052 0.000 0.864 292 A CB 0.064 19.038 19.000 -0.042 0.000 0.902 292 A HN 0.131 nan 8.150 nan 0.000 0.499 293 E N 0.609 120.779 120.200 -0.050 0.000 2.030 293 E HA -0.126 4.224 4.350 -0.000 0.000 0.189 293 E C 2.159 178.743 176.600 -0.028 0.000 0.974 293 E CA 1.138 57.512 56.400 -0.042 0.000 0.807 293 E CB -0.059 29.608 29.700 -0.054 0.000 0.771 293 E HN 0.606 nan 8.360 nan 0.000 0.451 294 S N 1.240 116.926 115.700 -0.024 0.000 2.428 294 S HA -0.247 4.223 4.470 -0.000 0.000 0.240 294 S C 2.023 176.633 174.600 0.017 0.000 1.036 294 S CA 1.338 59.542 58.200 0.008 0.000 1.009 294 S CB -0.560 62.639 63.200 -0.001 0.000 0.803 294 S HN 0.347 nan 8.310 nan 0.000 0.486 295 L N 0.718 121.917 121.223 -0.041 0.000 2.017 295 L HA 0.123 4.462 4.340 -0.000 0.000 0.208 295 L C 2.297 179.140 176.870 -0.044 0.000 1.073 295 L CA 1.628 56.414 54.840 -0.090 0.000 0.745 295 L CB -0.898 41.075 42.059 -0.143 0.000 0.894 295 L HN 0.367 nan 8.230 nan 0.000 0.432 296 L N -0.282 120.928 121.223 -0.022 0.000 2.046 296 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 296 L C 2.601 179.512 176.870 0.069 0.000 1.077 296 L CA 2.124 56.975 54.840 0.019 0.000 0.747 296 L CB -0.907 41.156 42.059 0.008 0.000 0.896 296 L HN 0.570 nan 8.230 nan 0.000 0.432 297 Q N -1.142 118.700 119.800 0.070 0.000 2.181 297 Q HA -0.280 4.059 4.340 -0.000 0.000 0.205 297 Q C 2.019 178.118 176.000 0.166 0.000 0.980 297 Q CA 2.130 57.994 55.803 0.101 0.000 0.862 297 Q CB -0.659 28.139 28.738 0.099 0.000 0.905 297 Q HN 0.547 nan 8.270 nan 0.000 0.429 298 F N -0.270 119.689 119.950 0.016 0.000 2.074 298 F HA -0.099 4.428 4.527 -0.000 0.000 0.293 298 F C 1.979 177.858 175.800 0.131 0.000 1.116 298 F CA 2.197 60.221 58.000 0.039 0.000 1.212 298 F CB -0.584 38.394 39.000 -0.038 0.000 0.998 298 F HN 0.245 nan 8.300 nan 0.000 0.471 299 H N -1.040 118.048 119.070 0.030 0.000 2.293 299 H HA -0.144 4.412 4.556 -0.000 0.000 0.300 299 H C 2.203 177.491 175.328 -0.067 0.000 1.082 299 H CA 1.454 57.446 56.048 -0.094 0.000 1.308 299 H CB -0.365 29.414 29.762 0.029 0.000 1.375 299 H HN 0.127 nan 8.280 nan 0.000 0.495 300 V N 0.842 120.832 119.914 0.126 0.000 2.982 300 V HA -0.241 3.879 4.120 -0.000 0.000 0.265 300 V C 2.127 178.260 176.094 0.064 0.000 1.122 300 V CA 1.329 63.690 62.300 0.101 0.000 1.143 300 V CB -0.727 31.140 31.823 0.074 0.000 0.726 300 V HN 0.507 nan 8.190 nan 0.000 0.507 301 A N -1.082 121.743 122.820 0.007 0.000 1.909 301 A HA -0.055 4.265 4.320 -0.000 0.000 0.210 301 A C 2.293 179.823 177.584 -0.091 0.000 1.273 301 A CA 1.325 53.336 52.037 -0.043 0.000 0.654 301 A CB -0.810 18.184 19.000 -0.009 0.000 0.945 301 A HN 0.332 nan 8.150 nan 0.000 0.471 302 T N -1.090 113.336 114.554 -0.213 0.000 2.869 302 T HA -0.195 4.155 4.350 -0.000 0.000 0.270 302 T C 1.591 176.250 174.700 -0.069 0.000 1.082 302 T CA 1.941 63.885 62.100 -0.260 0.000 1.123 302 T CB -0.448 68.050 68.868 -0.618 0.000 0.856 302 T HN 0.564 nan 8.240 nan 0.000 0.499 303 Y N 0.327 120.541 120.300 -0.143 0.000 2.395 303 Y HA 0.172 4.722 4.550 -0.000 0.000 0.293 303 Y C 1.913 177.774 175.900 -0.064 0.000 1.123 303 Y CA 1.046 59.090 58.100 -0.094 0.000 1.227 303 Y CB -0.169 38.244 38.460 -0.077 0.000 1.012 303 Y HN 0.214 nan 8.280 nan 0.000 0.552 304 M N -0.908 118.574 119.600 -0.196 0.000 2.557 304 M HA 0.077 4.557 4.480 -0.000 0.000 0.262 304 M C -0.002 176.239 176.300 -0.099 0.000 1.168 304 M CA 0.777 55.925 55.300 -0.254 0.000 1.194 304 M CB 0.241 32.696 32.600 -0.242 0.000 1.311 304 M HN 0.023 nan 8.290 nan 0.000 0.489 305 D N -0.194 120.171 120.400 -0.060 0.000 2.601 305 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 305 D C -1.299 174.974 176.300 -0.045 0.000 1.106 305 D CA -0.123 53.861 54.000 -0.027 0.000 0.873 305 D CB 1.878 42.691 40.800 0.021 0.000 1.515 305 D HN 0.001 nan 8.370 nan 0.000 0.468 306 N N 1.390 120.070 118.700 -0.033 0.000 2.423 306 N HA 0.103 4.843 4.740 -0.000 0.000 0.262 306 N C -1.600 173.908 175.510 -0.004 0.000 1.467 306 N CA -0.189 52.842 53.050 -0.032 0.000 0.847 306 N CB 0.531 38.997 38.487 -0.035 0.000 1.394 306 N HN 0.254 nan 8.380 nan 0.000 0.495 307 D N 1.068 121.467 120.400 -0.001 0.000 2.952 307 D HA 0.240 4.880 4.640 -0.000 0.000 0.373 307 D C 0.674 176.981 176.300 0.013 0.000 1.360 307 D CA -0.114 53.889 54.000 0.005 0.000 0.788 307 D CB 1.018 41.812 40.800 -0.010 0.000 1.192 307 D HN 0.310 nan 8.370 nan 0.000 0.462 308 I N 0.061 120.647 120.570 0.027 0.000 3.128 308 I HA 0.207 4.376 4.170 -0.000 0.000 0.196 308 I C 1.811 177.951 176.117 0.039 0.000 1.391 308 I CA -0.312 61.011 61.300 0.037 0.000 0.639 308 I CB 0.307 38.339 38.000 0.054 0.000 1.842 308 I HN -0.046 nan 8.210 nan 0.000 0.971 309 A N 0.130 122.977 122.820 0.046 0.000 2.192 309 A HA 0.309 4.629 4.320 -0.000 0.000 0.208 309 A C 1.346 178.961 177.584 0.051 0.000 1.220 309 A CA 0.479 52.541 52.037 0.041 0.000 0.900 309 A CB -0.365 18.656 19.000 0.035 0.000 0.937 309 A HN 0.774 nan 8.150 nan 0.000 0.487 310 G N 0.125 108.966 108.800 0.069 0.000 2.865 310 G HA2 0.345 4.305 3.960 -0.000 0.000 0.292 310 G HA3 0.345 4.305 3.960 -0.000 0.000 0.292 310 G C 0.530 175.487 174.900 0.095 0.000 0.800 310 G CA -0.160 44.988 45.100 0.081 0.000 1.838 310 G HN 0.455 nan 8.290 nan 0.000 0.535 311 Q N 0.510 120.352 119.800 0.071 0.000 2.265 311 Q HA -0.211 4.129 4.340 -0.000 0.000 0.219 311 Q C -0.957 175.099 176.000 0.092 0.000 1.031 311 Q CA 1.377 57.221 55.803 0.069 0.000 0.949 311 Q CB -1.309 27.458 28.738 0.049 0.000 1.022 311 Q HN 0.453 nan 8.270 nan 0.000 0.419 312 P HA -0.109 nan 4.420 nan 0.000 0.247 312 P C -0.118 177.302 177.300 0.201 0.000 1.141 312 P CA 0.766 63.951 63.100 0.142 0.000 0.858 312 P CB 0.204 31.983 31.700 0.132 0.000 0.804 313 Q N 3.231 123.116 119.800 0.141 0.000 2.515 313 Q HA 0.020 4.360 4.340 -0.000 0.000 0.212 313 Q C 0.684 176.773 176.000 0.148 0.000 0.970 313 Q CA 0.510 56.385 55.803 0.120 0.000 0.941 313 Q CB -0.164 28.619 28.738 0.076 0.000 0.998 313 Q HN 0.602 nan 8.270 nan 0.000 0.518 314 A N 1.029 123.999 122.820 0.249 0.000 2.416 314 A HA -0.181 4.139 4.320 -0.000 0.000 0.293 314 A C 0.168 177.844 177.584 0.152 0.000 1.452 314 A CA 0.295 52.503 52.037 0.285 0.000 0.738 314 A CB -2.432 16.687 19.000 0.199 0.000 1.123 314 A HN 0.484 nan 8.150 nan 0.000 0.389 315 L N -1.039 120.259 121.223 0.126 0.000 2.380 315 L HA 0.592 4.932 4.340 -0.000 0.000 0.273 315 L C 0.600 177.515 176.870 0.075 0.000 1.138 315 L CA -0.658 54.231 54.840 0.083 0.000 0.832 315 L CB 0.700 42.798 42.059 0.065 0.000 1.124 315 L HN 0.627 nan 8.230 nan 0.000 0.454 316 Q N 1.947 121.783 119.800 0.059 0.000 2.260 316 Q HA 0.220 4.560 4.340 -0.000 0.000 0.242 316 Q C -0.686 175.331 176.000 0.029 0.000 0.932 316 Q CA -0.951 54.879 55.803 0.046 0.000 0.891 316 Q CB 1.276 30.050 28.738 0.061 0.000 1.222 316 Q HN 0.678 nan 8.270 nan 0.000 0.453 317 K N 1.868 122.270 120.400 0.004 0.000 2.401 317 K HA -0.115 4.205 4.320 -0.000 0.000 0.267 317 K C 0.260 176.864 176.600 0.007 0.000 1.140 317 K CA 1.036 57.319 56.287 -0.006 0.000 1.199 317 K CB -0.212 32.265 32.500 -0.038 0.000 0.822 317 K HN 0.872 nan 8.250 nan 0.000 0.488 318 S N 0.471 116.177 115.700 0.010 0.000 1.473 318 S HA -0.117 4.353 4.470 -0.000 0.000 0.249 318 S C 1.351 175.962 174.600 0.018 0.000 0.915 318 S CA 0.587 58.795 58.200 0.013 0.000 1.122 318 S CB -2.036 61.175 63.200 0.018 0.000 1.303 318 S HN 1.886 nan 8.310 nan 0.000 0.516 319 G N 2.389 111.203 108.800 0.024 0.000 2.493 319 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.206 319 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.206 319 G C -0.055 174.865 174.900 0.032 0.000 1.109 319 G CA 0.390 45.507 45.100 0.027 0.000 0.689 319 G HN 0.891 nan 8.290 nan 0.000 0.516 320 R N 2.387 122.906 120.500 0.032 0.000 2.486 320 R HA 0.060 4.400 4.340 -0.000 0.000 0.304 320 R C -0.904 175.420 176.300 0.040 0.000 0.913 320 R CA 0.145 56.265 56.100 0.034 0.000 1.124 320 R CB 0.338 30.660 30.300 0.036 0.000 0.891 320 R HN 0.219 nan 8.270 nan 0.000 0.410 321 P HA -0.208 nan 4.420 nan 0.000 0.219 321 P C -0.395 176.930 177.300 0.041 0.000 1.158 321 P CA 1.055 64.178 63.100 0.039 0.000 0.895 321 P CB 0.132 31.849 31.700 0.028 0.000 0.792 322 V N -2.661 117.276 119.914 0.038 0.000 3.144 322 V HA -0.123 3.996 4.120 -0.000 0.000 0.452 322 V C -0.448 175.660 176.094 0.023 0.000 0.682 322 V CA -0.368 61.957 62.300 0.041 0.000 1.986 322 V CB -0.845 31.008 31.823 0.050 0.000 2.461 322 V HN 0.151 nan 8.190 nan 0.000 0.493 323 K N 4.413 124.822 120.400 0.016 0.000 2.412 323 K HA 0.490 4.810 4.320 -0.000 0.000 0.284 323 K C 0.526 177.119 176.600 -0.011 0.000 1.046 323 K CA 0.546 56.831 56.287 -0.003 0.000 0.999 323 K CB 0.658 33.151 32.500 -0.011 0.000 0.941 323 K HN 0.841 nan 8.250 nan 0.000 0.474 324 S N 2.296 117.978 115.700 -0.030 0.000 2.617 324 S HA 0.271 4.741 4.470 -0.000 0.000 0.269 324 S C 1.428 175.973 174.600 -0.092 0.000 1.292 324 S CA -0.870 57.294 58.200 -0.061 0.000 1.010 324 S CB 0.688 63.851 63.200 -0.061 0.000 0.944 324 S HN 0.511 nan 8.310 nan 0.000 0.536 325 I N 0.928 121.400 120.570 -0.163 0.000 2.151 325 I HA -0.267 3.903 4.170 -0.000 0.000 0.243 325 I C 2.946 179.000 176.117 -0.105 0.000 1.080 325 I CA 1.840 63.053 61.300 -0.146 0.000 1.339 325 I CB -0.389 37.483 38.000 -0.213 0.000 1.039 325 I HN 0.797 nan 8.210 nan 0.000 0.409 326 R N 1.338 121.776 120.500 -0.102 0.000 2.134 326 R HA -0.285 4.055 4.340 -0.000 0.000 0.248 326 R C 2.331 178.567 176.300 -0.107 0.000 1.143 326 R CA 2.147 58.175 56.100 -0.120 0.000 0.957 326 R CB -0.464 29.774 30.300 -0.102 0.000 0.867 326 R HN 0.391 nan 8.270 nan 0.000 0.441 327 A N 1.013 123.785 122.820 -0.080 0.000 1.927 327 A HA -0.235 4.085 4.320 -0.000 0.000 0.220 327 A C 2.196 179.742 177.584 -0.063 0.000 1.185 327 A CA 1.943 53.942 52.037 -0.065 0.000 0.639 327 A CB -0.618 18.354 19.000 -0.046 0.000 0.820 327 A HN 0.490 nan 8.150 nan 0.000 0.451 328 R N -0.634 119.829 120.500 -0.062 0.000 2.120 328 R HA -0.033 4.307 4.340 -0.000 0.000 0.234 328 R C 1.675 177.941 176.300 -0.057 0.000 1.123 328 R CA 1.440 57.509 56.100 -0.053 0.000 0.975 328 R CB -0.392 29.879 30.300 -0.048 0.000 0.866 328 R HN 0.577 nan 8.270 nan 0.000 0.446 329 L N 0.190 121.367 121.223 -0.077 0.000 2.513 329 L HA 0.139 4.479 4.340 -0.000 0.000 0.222 329 L C 0.947 177.763 176.870 -0.090 0.000 1.096 329 L CA -0.114 54.677 54.840 -0.082 0.000 0.857 329 L CB -0.213 41.782 42.059 -0.106 0.000 1.026 329 L HN 0.005 nan 8.230 nan 0.000 0.469 330 K N 1.932 122.274 120.400 -0.097 0.000 2.527 330 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 330 K C 0.765 177.320 176.600 -0.075 0.000 0.981 330 K CA 0.331 56.559 56.287 -0.098 0.000 1.009 330 K CB 0.492 32.937 32.500 -0.091 0.000 0.895 330 K HN 0.131 nan 8.250 nan 0.000 0.493 331 G N 3.361 112.113 108.800 -0.080 0.000 2.638 331 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.227 331 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.227 331 G C -0.654 174.224 174.900 -0.036 0.000 1.096 331 G CA 0.566 45.631 45.100 -0.057 0.000 0.866 331 G HN 0.965 nan 8.290 nan 0.000 0.493 332 K N 1.114 121.505 120.400 -0.014 0.000 5.672 332 K HA -0.300 4.020 4.320 -0.000 0.000 0.615 332 K C 0.974 177.565 176.600 -0.014 0.000 2.359 332 K CA 1.569 57.853 56.287 -0.005 0.000 1.747 332 K CB 0.010 32.511 32.500 0.002 0.000 1.844 332 K HN 0.956 nan 8.250 nan 0.000 0.274 333 E N -1.197 118.998 120.200 -0.009 0.000 4.129 333 E HA -0.198 4.151 4.350 -0.000 0.000 0.360 333 E C 0.799 177.388 176.600 -0.018 0.000 0.598 333 E CA 1.664 58.057 56.400 -0.013 0.000 1.308 333 E CB -1.846 27.845 29.700 -0.016 0.000 1.777 333 E HN 0.869 nan 8.360 nan 0.000 0.397 334 G N 0.465 109.252 108.800 -0.022 0.000 2.631 334 G HA2 0.139 4.099 3.960 -0.000 0.000 0.271 334 G HA3 0.139 4.099 3.960 -0.000 0.000 0.271 334 G C 0.778 175.663 174.900 -0.025 0.000 1.302 334 G CA 0.565 45.647 45.100 -0.030 0.000 1.002 334 G HN 0.076 nan 8.290 nan 0.000 0.519 335 R N -0.966 119.516 120.500 -0.030 0.000 2.055 335 R HA -0.006 4.333 4.340 -0.000 0.000 0.228 335 R C 2.613 178.903 176.300 -0.017 0.000 1.143 335 R CA 0.883 56.969 56.100 -0.022 0.000 0.945 335 R CB -0.772 29.514 30.300 -0.024 0.000 0.841 335 R HN 0.461 nan 8.270 nan 0.000 0.429 336 I N 0.855 121.412 120.570 -0.021 0.000 2.045 336 I HA -0.247 3.922 4.170 -0.000 0.000 0.233 336 I C 2.380 178.495 176.117 -0.004 0.000 1.048 336 I CA 1.597 62.890 61.300 -0.013 0.000 1.313 336 I CB -1.064 36.924 38.000 -0.020 0.000 1.043 336 I HN 0.295 nan 8.210 nan 0.000 0.393 337 R N 0.272 120.770 120.500 -0.003 0.000 2.237 337 R HA -0.083 4.256 4.340 -0.000 0.000 0.219 337 R C 1.851 178.154 176.300 0.006 0.000 1.080 337 R CA 1.174 57.279 56.100 0.009 0.000 0.995 337 R CB -0.119 30.191 30.300 0.017 0.000 0.875 337 R HN 0.519 nan 8.270 nan 0.000 0.462 338 G N -1.393 107.406 108.800 -0.002 0.000 2.944 338 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.220 338 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.220 338 G C 0.864 175.763 174.900 -0.002 0.000 1.100 338 G CA -0.248 44.851 45.100 -0.002 0.000 0.780 338 G HN 0.190 nan 8.290 nan 0.000 0.539 339 N N -0.192 118.506 118.700 -0.003 0.000 2.460 339 N HA 0.194 4.934 4.740 -0.000 0.000 0.193 339 N C 1.857 177.367 175.510 -0.001 0.000 1.080 339 N CA 0.203 53.252 53.050 -0.003 0.000 0.869 339 N CB 0.557 39.040 38.487 -0.006 0.000 1.201 339 N HN 0.220 nan 8.380 nan 0.000 0.457 340 L N 0.170 121.393 121.223 -0.001 0.000 2.347 340 L HA 0.241 4.580 4.340 -0.000 0.000 0.196 340 L C 1.813 178.682 176.870 -0.001 0.000 1.072 340 L CA 0.352 55.191 54.840 -0.001 0.000 0.817 340 L CB -0.212 41.847 42.059 0.000 0.000 1.029 340 L HN -0.054 nan 8.230 nan 0.000 0.478 341 M N 0.219 119.820 119.600 0.002 0.000 2.632 341 M HA 0.167 4.647 4.480 -0.000 0.000 0.256 341 M C 0.682 176.981 176.300 -0.002 0.000 1.080 341 M CA 0.459 55.760 55.300 0.001 0.000 1.084 341 M CB -0.959 31.647 32.600 0.010 0.000 1.439 341 M HN 0.277 nan 8.290 nan 0.000 0.509 342 G N 0.796 109.596 108.800 0.000 0.000 2.596 342 G HA2 0.538 4.498 3.960 -0.000 0.000 0.296 342 G HA3 0.538 4.498 3.960 -0.000 0.000 0.296 342 G C -1.344 173.560 174.900 0.008 0.000 1.513 342 G CA -0.896 44.205 45.100 0.001 0.000 0.851 342 G HN 0.251 nan 8.290 nan 0.000 0.548 343 K N -0.166 120.243 120.400 0.015 0.000 2.615 343 K HA 0.595 4.915 4.320 -0.000 0.000 0.291 343 K C -0.689 175.933 176.600 0.037 0.000 1.017 343 K CA -1.299 55.001 56.287 0.021 0.000 0.882 343 K CB 1.545 34.054 32.500 0.016 0.000 1.522 343 K HN 0.590 nan 8.250 nan 0.000 0.412 344 R N 0.831 121.351 120.500 0.033 0.000 2.543 344 R HA 0.399 4.739 4.340 -0.000 0.000 0.277 344 R C 0.098 176.430 176.300 0.054 0.000 1.074 344 R CA -0.777 55.348 56.100 0.041 0.000 1.076 344 R CB 0.784 31.098 30.300 0.022 0.000 0.993 344 R HN 0.542 nan 8.270 nan 0.000 0.459 345 V N -1.557 118.404 119.914 0.078 0.000 3.007 345 V HA 0.378 4.498 4.120 -0.000 0.000 0.311 345 V C -0.579 175.577 176.094 0.104 0.000 1.120 345 V CA -1.255 61.106 62.300 0.102 0.000 0.980 345 V CB 2.330 34.243 31.823 0.150 0.000 1.033 345 V HN 0.578 nan 8.190 nan 0.000 0.429 346 D N 1.500 121.980 120.400 0.133 0.000 2.372 346 D HA 0.354 4.994 4.640 -0.000 0.000 0.243 346 D C 0.055 176.493 176.300 0.229 0.000 1.297 346 D CA 0.476 54.544 54.000 0.114 0.000 0.958 346 D CB -0.061 40.857 40.800 0.196 0.000 1.114 346 D HN 0.748 nan 8.370 nan 0.000 0.496 347 F N -0.584 119.391 119.950 0.041 0.000 2.555 347 F HA -0.248 4.279 4.527 -0.000 0.000 0.252 347 F C 0.340 176.163 175.800 0.038 0.000 1.036 347 F CA 0.318 58.351 58.000 0.055 0.000 0.963 347 F CB -1.786 37.258 39.000 0.073 0.000 1.076 347 F HN 0.241 nan 8.300 nan 0.000 0.832 348 S N -0.649 115.079 115.700 0.046 0.000 2.578 348 S HA 0.985 5.454 4.470 -0.000 0.000 0.272 348 S C -0.735 173.841 174.600 -0.041 0.000 1.145 348 S CA -0.533 57.627 58.200 -0.068 0.000 0.835 348 S CB 2.068 65.120 63.200 -0.246 0.000 1.104 348 S HN 1.513 nan 8.310 nan 0.000 0.458 349 A N 0.830 123.642 122.820 -0.013 0.000 2.593 349 A HA 0.986 5.306 4.320 -0.000 0.000 0.290 349 A C -0.917 176.783 177.584 0.192 0.000 1.126 349 A CA -0.919 51.182 52.037 0.107 0.000 0.695 349 A CB 1.845 20.962 19.000 0.195 0.000 1.290 349 A HN 1.337 nan 8.150 nan 0.000 0.414 350 R N -0.046 120.619 120.500 0.276 0.000 2.633 350 R HA 0.577 4.917 4.340 -0.000 0.000 0.256 350 R C -1.286 175.213 176.300 0.331 0.000 1.131 350 R CA 0.483 56.794 56.100 0.351 0.000 0.994 350 R CB 1.489 31.854 30.300 0.109 0.000 1.261 350 R HN 1.515 nan 8.270 nan 0.000 0.446 351 T N -1.009 113.850 114.554 0.508 0.000 2.671 351 T HA 0.404 4.754 4.350 -0.000 0.000 0.300 351 T C -0.595 174.263 174.700 0.263 0.000 1.238 351 T CA -0.675 61.546 62.100 0.200 0.000 1.020 351 T CB 1.181 70.006 68.868 -0.071 0.000 1.503 351 T HN 0.211 nan 8.240 nan 0.000 0.497 352 V N 2.286 122.281 119.914 0.135 0.000 2.655 352 V HA 0.336 4.456 4.120 -0.000 0.000 0.300 352 V C 0.783 176.990 176.094 0.189 0.000 1.044 352 V CA -0.455 61.927 62.300 0.135 0.000 1.095 352 V CB 0.222 32.089 31.823 0.073 0.000 0.952 352 V HN 0.855 nan 8.190 nan 0.000 0.485 353 I N 3.288 123.983 120.570 0.209 0.000 2.607 353 I HA 0.859 5.028 4.170 -0.000 0.000 0.305 353 I C -0.241 175.900 176.117 0.040 0.000 0.995 353 I CA -0.167 61.259 61.300 0.211 0.000 1.148 353 I CB 2.212 40.379 38.000 0.278 0.000 1.323 353 I HN 0.734 nan 8.210 nan 0.000 0.461 354 S N 3.454 118.983 115.700 -0.284 0.000 2.603 354 S HA 0.565 5.035 4.470 -0.000 0.000 0.274 354 S C -0.157 173.793 174.600 -1.083 0.000 1.168 354 S CA -0.587 57.082 58.200 -0.884 0.000 0.963 354 S CB 0.901 63.870 63.200 -0.386 0.000 1.078 354 S HN 1.177 nan 8.310 nan 0.000 0.477 355 G N 0.871 108.469 108.800 -2.004 0.000 2.562 355 G HA2 0.381 4.341 3.960 -0.000 0.000 0.233 355 G HA3 0.381 4.341 3.960 -0.000 0.000 0.233 355 G C -0.558 174.179 174.900 -0.270 0.000 1.266 355 G CA 0.202 44.889 45.100 -0.688 0.000 0.852 355 G HN 0.810 nan 8.290 nan 0.000 0.581 356 D N 1.555 121.904 120.400 -0.085 0.000 2.411 356 D HA 0.170 4.810 4.640 -0.000 0.000 0.239 356 D C -1.510 174.804 176.300 0.024 0.000 1.307 356 D CA -1.320 52.657 54.000 -0.038 0.000 0.930 356 D CB 1.513 42.285 40.800 -0.047 0.000 1.395 356 D HN 0.165 nan 8.370 nan 0.000 0.536 357 P HA -0.114 nan 4.420 nan 0.000 0.229 357 P C 0.344 177.684 177.300 0.067 0.000 1.147 357 P CA 0.600 63.731 63.100 0.053 0.000 0.766 357 P CB 0.404 32.121 31.700 0.029 0.000 0.775 358 N N -1.090 117.654 118.700 0.073 0.000 2.184 358 N HA 0.188 4.928 4.740 -0.000 0.000 0.206 358 N C 0.605 176.171 175.510 0.094 0.000 1.151 358 N CA -0.054 53.062 53.050 0.110 0.000 0.878 358 N CB 0.546 39.111 38.487 0.130 0.000 1.014 358 N HN 0.252 nan 8.380 nan 0.000 0.512 359 L N 0.780 122.047 121.223 0.073 0.000 2.416 359 L HA 0.265 4.605 4.340 -0.000 0.000 0.262 359 L C 0.934 177.847 176.870 0.072 0.000 1.093 359 L CA -0.627 54.251 54.840 0.063 0.000 0.801 359 L CB 0.933 43.023 42.059 0.051 0.000 1.191 359 L HN -0.101 nan 8.230 nan 0.000 0.459 360 E N 0.364 120.601 120.200 0.061 0.000 2.369 360 E HA 0.014 4.363 4.350 -0.000 0.000 0.255 360 E C 0.661 177.288 176.600 0.045 0.000 1.172 360 E CA -0.282 56.152 56.400 0.058 0.000 0.932 360 E CB 0.766 30.492 29.700 0.043 0.000 1.040 360 E HN 0.372 nan 8.360 nan 0.000 0.454 361 L N 1.919 123.151 121.223 0.014 0.000 1.970 361 L HA -0.219 4.120 4.340 -0.000 0.000 0.212 361 L C 1.395 178.228 176.870 -0.061 0.000 1.071 361 L CA 2.432 57.233 54.840 -0.065 0.000 0.751 361 L CB -0.663 41.267 42.059 -0.215 0.000 0.889 361 L HN 0.566 nan 8.230 nan 0.000 0.432 362 D N -1.239 119.114 120.400 -0.078 0.000 2.338 362 D HA -0.068 4.572 4.640 -0.000 0.000 0.239 362 D C 0.496 176.809 176.300 0.022 0.000 1.095 362 D CA 0.110 54.041 54.000 -0.115 0.000 0.888 362 D CB -0.329 40.400 40.800 -0.119 0.000 0.899 362 D HN 0.543 nan 8.370 nan 0.000 0.525 363 Q N -0.520 119.334 119.800 0.090 0.000 2.169 363 Q HA 0.550 4.890 4.340 -0.000 0.000 0.234 363 Q C -0.919 175.168 176.000 0.145 0.000 0.980 363 Q CA -1.070 54.797 55.803 0.106 0.000 0.941 363 Q CB 2.761 31.530 28.738 0.052 0.000 1.199 363 Q HN 0.036 nan 8.270 nan 0.000 0.496 364 V N 0.082 119.988 119.914 -0.013 0.000 2.610 364 V HA 0.495 4.615 4.120 -0.000 0.000 0.298 364 V C -0.747 175.263 176.094 -0.139 0.000 1.067 364 V CA -0.395 61.771 62.300 -0.223 0.000 0.894 364 V CB 1.482 32.900 31.823 -0.675 0.000 1.015 364 V HN 0.820 nan 8.190 nan 0.000 0.432 365 G N 5.862 114.612 108.800 -0.084 0.000 2.356 365 G HA2 0.472 4.432 3.960 -0.000 0.000 0.273 365 G HA3 0.472 4.432 3.960 -0.000 0.000 0.273 365 G C -0.516 174.366 174.900 -0.029 0.000 1.213 365 G CA -0.071 45.004 45.100 -0.042 0.000 0.955 365 G HN 0.901 nan 8.290 nan 0.000 0.454 366 V N 6.447 126.333 119.914 -0.047 0.000 2.370 366 V HA 0.314 4.434 4.120 -0.000 0.000 0.283 366 V C -1.745 174.258 176.094 -0.152 0.000 1.023 366 V CA -1.798 60.458 62.300 -0.074 0.000 0.857 366 V CB 1.956 33.773 31.823 -0.011 0.000 0.985 366 V HN 0.668 nan 8.190 nan 0.000 0.443 367 P HA 0.024 nan 4.420 nan 0.000 0.264 367 P C 0.608 177.778 177.300 -0.216 0.000 1.193 367 P CA 0.037 63.005 63.100 -0.220 0.000 0.763 367 P CB 1.081 32.621 31.700 -0.267 0.000 0.810 368 K N 3.308 123.566 120.400 -0.236 0.000 2.052 368 K HA -0.257 4.063 4.320 -0.000 0.000 0.215 368 K C 2.083 178.550 176.600 -0.223 0.000 1.053 368 K CA 2.482 58.589 56.287 -0.300 0.000 0.934 368 K CB -0.626 31.695 32.500 -0.299 0.000 0.717 368 K HN 0.449 nan 8.250 nan 0.000 0.450 369 S N 0.477 116.071 115.700 -0.177 0.000 2.381 369 S HA -0.212 4.258 4.470 -0.000 0.000 0.230 369 S C 1.939 176.482 174.600 -0.096 0.000 1.052 369 S CA 1.892 60.016 58.200 -0.127 0.000 1.068 369 S CB -0.400 62.727 63.200 -0.121 0.000 0.918 369 S HN 0.438 nan 8.310 nan 0.000 0.448 370 I N 1.284 121.784 120.570 -0.117 0.000 2.500 370 I HA 0.015 4.185 4.170 -0.000 0.000 0.252 370 I C 2.854 178.971 176.117 -0.001 0.000 1.142 370 I CA 0.809 62.068 61.300 -0.068 0.000 1.451 370 I CB -0.484 37.445 38.000 -0.119 0.000 1.093 370 I HN 0.450 nan 8.210 nan 0.000 0.430 371 A N 0.661 123.460 122.820 -0.036 0.000 2.015 371 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 371 A C 2.179 179.877 177.584 0.190 0.000 1.163 371 A CA 1.334 53.404 52.037 0.056 0.000 0.646 371 A CB -0.317 18.643 19.000 -0.067 0.000 0.806 371 A HN 0.303 nan 8.150 nan 0.000 0.448 372 K N -1.107 119.338 120.400 0.075 0.000 2.459 372 K HA 0.032 4.352 4.320 -0.000 0.000 0.193 372 K C 1.313 178.125 176.600 0.353 0.000 1.030 372 K CA 1.053 57.423 56.287 0.137 0.000 1.026 372 K CB 0.056 32.505 32.500 -0.084 0.000 0.809 372 K HN 0.396 nan 8.250 nan 0.000 0.504 373 T N 0.921 115.589 114.554 0.191 0.000 3.021 373 T HA 0.167 4.517 4.350 -0.000 0.000 0.245 373 T C 0.678 175.437 174.700 0.098 0.000 1.028 373 T CA 0.101 62.269 62.100 0.112 0.000 1.139 373 T CB 0.263 69.154 68.868 0.039 0.000 0.884 373 T HN -0.021 nan 8.240 nan 0.000 0.457 374 L N 2.192 123.497 121.223 0.136 0.000 2.436 374 L HA 0.458 4.798 4.340 -0.000 0.000 0.265 374 L C 0.715 177.738 176.870 0.255 0.000 1.168 374 L CA -0.344 54.597 54.840 0.168 0.000 0.815 374 L CB 0.995 43.174 42.059 0.200 0.000 1.109 374 L HN 0.259 nan 8.230 nan 0.000 0.462 375 T N -0.783 114.001 114.554 0.382 0.000 2.812 375 T HA 0.510 4.860 4.350 -0.000 0.000 0.294 375 T C -1.460 173.473 174.700 0.388 0.000 1.159 375 T CA -0.672 61.639 62.100 0.352 0.000 1.008 375 T CB 1.724 70.775 68.868 0.305 0.000 1.289 375 T HN 0.431 nan 8.240 nan 0.000 0.514 376 Y N 1.984 122.362 120.300 0.130 0.000 2.386 376 Y HA 0.581 5.130 4.550 -0.000 0.000 0.334 376 Y C -2.802 173.114 175.900 0.026 0.000 1.002 376 Y CA -2.426 55.699 58.100 0.042 0.000 1.068 376 Y CB 2.570 41.056 38.460 0.044 0.000 1.203 376 Y HN 0.529 nan 8.280 nan 0.000 0.443 377 P HA 0.132 nan 4.420 nan 0.000 0.286 377 P C -1.106 176.013 177.300 -0.303 0.000 1.321 377 P CA 0.093 63.012 63.100 -0.302 0.000 0.790 377 P CB 1.273 32.776 31.700 -0.328 0.000 0.897 378 E N 3.070 123.285 120.200 0.025 0.000 2.191 378 E HA 0.359 4.709 4.350 -0.000 0.000 0.274 378 E C -0.795 175.854 176.600 0.082 0.000 0.948 378 E CA -1.025 55.468 56.400 0.154 0.000 0.802 378 E CB 1.441 31.293 29.700 0.254 0.000 1.137 378 E HN 0.124 nan 8.360 nan 0.000 0.397 379 V N 3.888 123.849 119.914 0.078 0.000 2.498 379 V HA 0.132 4.252 4.120 -0.000 0.000 0.279 379 V C 0.161 176.286 176.094 0.051 0.000 1.048 379 V CA -0.869 61.467 62.300 0.061 0.000 0.967 379 V CB 1.253 33.105 31.823 0.048 0.000 0.988 379 V HN 0.530 nan 8.190 nan 0.000 0.473 380 V N 4.937 124.882 119.914 0.051 0.000 2.450 380 V HA 0.191 4.311 4.120 -0.000 0.000 0.281 380 V C 0.612 176.672 176.094 -0.056 0.000 1.019 380 V CA 0.863 63.149 62.300 -0.023 0.000 1.062 380 V CB 0.474 32.269 31.823 -0.048 0.000 0.979 380 V HN 1.078 nan 8.190 nan 0.000 0.477 381 T N 8.150 122.638 114.554 -0.108 0.000 2.909 381 T HA 0.374 4.724 4.350 -0.000 0.000 0.299 381 T C -1.710 172.910 174.700 -0.133 0.000 1.073 381 T CA -0.896 61.134 62.100 -0.116 0.000 0.999 381 T CB 2.359 71.072 68.868 -0.259 0.000 1.098 381 T HN 0.405 nan 8.240 nan 0.000 0.477 382 P HA -0.211 nan 4.420 nan 0.000 0.218 382 P C 1.045 178.446 177.300 0.169 0.000 1.150 382 P CA 1.648 64.852 63.100 0.173 0.000 0.841 382 P CB -0.065 31.840 31.700 0.342 0.000 0.784 383 Y N 0.808 121.146 120.300 0.064 0.000 2.333 383 Y HA -0.164 4.386 4.550 -0.000 0.000 0.290 383 Y C 1.758 177.662 175.900 0.007 0.000 1.144 383 Y CA 0.805 58.925 58.100 0.033 0.000 1.228 383 Y CB -0.746 37.735 38.460 0.036 0.000 0.985 383 Y HN 0.254 nan 8.280 nan 0.000 0.542 384 N N -2.411 116.358 118.700 0.115 0.000 2.082 384 N HA 0.010 4.750 4.740 -0.000 0.000 0.228 384 N C 0.878 176.372 175.510 -0.027 0.000 1.341 384 N CA -0.120 52.959 53.050 0.048 0.000 0.873 384 N CB -0.752 37.771 38.487 0.061 0.000 1.137 384 N HN 0.055 nan 8.380 nan 0.000 0.505 385 I N 1.905 122.414 120.570 -0.103 0.000 2.185 385 I HA -0.313 3.857 4.170 -0.000 0.000 0.246 385 I C 1.004 177.060 176.117 -0.101 0.000 1.088 385 I CA 1.730 62.922 61.300 -0.179 0.000 1.347 385 I CB -0.467 37.335 38.000 -0.330 0.000 1.041 385 I HN 0.293 nan 8.210 nan 0.000 0.415 386 D N -0.195 120.168 120.400 -0.061 0.000 2.081 386 D HA -0.248 4.392 4.640 -0.000 0.000 0.194 386 D C 2.125 178.411 176.300 -0.023 0.000 0.986 386 D CA 1.317 55.296 54.000 -0.036 0.000 0.837 386 D CB -0.453 40.338 40.800 -0.016 0.000 0.985 386 D HN 0.314 nan 8.370 nan 0.000 0.448 387 R N 0.848 121.343 120.500 -0.009 0.000 2.115 387 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 387 R C 2.731 179.029 176.300 -0.003 0.000 1.133 387 R CA 1.277 57.376 56.100 -0.002 0.000 0.935 387 R CB -0.616 29.689 30.300 0.009 0.000 0.853 387 R HN 0.141 nan 8.270 nan 0.000 0.433 388 L N -0.009 121.213 121.223 -0.003 0.000 2.081 388 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 388 L C 2.412 179.282 176.870 -0.000 0.000 1.080 388 L CA 1.996 56.838 54.840 0.004 0.000 0.754 388 L CB -0.475 41.587 42.059 0.004 0.000 0.893 388 L HN 0.398 nan 8.230 nan 0.000 0.433 389 T N -1.800 112.743 114.554 -0.018 0.000 2.915 389 T HA -0.234 4.116 4.350 -0.000 0.000 0.269 389 T C 1.722 176.419 174.700 -0.006 0.000 1.071 389 T CA 1.119 63.209 62.100 -0.016 0.000 1.132 389 T CB -0.089 68.757 68.868 -0.036 0.000 0.878 389 T HN 0.225 nan 8.240 nan 0.000 0.479 390 Q N 1.082 120.877 119.800 -0.007 0.000 2.046 390 Q HA 0.073 4.413 4.340 -0.000 0.000 0.200 390 Q C 2.045 178.045 176.000 0.000 0.000 0.975 390 Q CA 1.375 57.175 55.803 -0.005 0.000 0.836 390 Q CB -0.682 28.052 28.738 -0.008 0.000 0.896 390 Q HN 0.471 nan 8.270 nan 0.000 0.428 391 L N -0.628 120.596 121.223 0.003 0.000 2.131 391 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 391 L C 2.161 179.041 176.870 0.017 0.000 1.092 391 L CA 0.797 55.644 54.840 0.010 0.000 0.759 391 L CB -0.304 41.763 42.059 0.013 0.000 0.903 391 L HN 0.119 nan 8.230 nan 0.000 0.435 392 V N -0.868 119.056 119.914 0.017 0.000 2.407 392 V HA -0.185 3.935 4.120 -0.000 0.000 0.245 392 V C 2.521 178.626 176.094 0.018 0.000 1.041 392 V CA 1.510 63.823 62.300 0.022 0.000 1.040 392 V CB -0.588 31.257 31.823 0.038 0.000 0.671 392 V HN 0.383 nan 8.190 nan 0.000 0.455 393 R N 0.544 121.052 120.500 0.014 0.000 2.115 393 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 393 R C 2.242 178.547 176.300 0.008 0.000 1.100 393 R CA 1.264 57.370 56.100 0.010 0.000 0.980 393 R CB -0.337 29.965 30.300 0.004 0.000 0.875 393 R HN 0.518 nan 8.270 nan 0.000 0.445 394 N N -0.163 118.542 118.700 0.009 0.000 2.166 394 N HA -0.077 4.663 4.740 -0.000 0.000 0.186 394 N C 0.376 175.896 175.510 0.017 0.000 1.019 394 N CA 1.548 54.603 53.050 0.010 0.000 0.856 394 N CB 0.159 38.651 38.487 0.009 0.000 0.993 394 N HN 0.393 nan 8.380 nan 0.000 0.426 395 G N -0.245 108.570 108.800 0.025 0.000 2.612 395 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.686 395 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.686 395 G C -2.607 172.337 174.900 0.074 0.000 1.274 395 G CA -0.309 44.807 45.100 0.027 0.000 0.849 395 G HN 0.095 nan 8.290 nan 0.000 0.595 396 P HA 0.175 nan 4.420 nan 0.000 0.266 396 P C 0.522 177.933 177.300 0.186 0.000 1.381 396 P CA 0.218 63.412 63.100 0.156 0.000 0.940 396 P CB 0.305 31.994 31.700 -0.018 0.000 1.435 397 N N -0.335 118.417 118.700 0.088 0.000 2.460 397 N HA 0.060 4.800 4.740 -0.000 0.000 0.193 397 N C 0.653 176.161 175.510 -0.002 0.000 1.080 397 N CA 0.323 53.390 53.050 0.028 0.000 0.869 397 N CB 0.149 38.632 38.487 -0.006 0.000 1.201 397 N HN 0.215 nan 8.380 nan 0.000 0.457 398 E N -0.243 119.961 120.200 0.006 0.000 2.342 398 E HA 0.033 4.383 4.350 -0.000 0.000 0.257 398 E C 0.249 176.828 176.600 -0.034 0.000 1.150 398 E CA -0.302 56.092 56.400 -0.011 0.000 0.926 398 E CB 1.021 30.718 29.700 -0.004 0.000 1.074 398 E HN 0.235 nan 8.360 nan 0.000 0.449 399 H N 1.835 120.821 119.070 -0.140 0.000 2.879 399 H HA 0.028 4.584 4.556 -0.000 0.000 0.308 399 H C -1.744 173.487 175.328 -0.162 0.000 1.017 399 H CA 0.320 56.230 56.048 -0.229 0.000 1.176 399 H CB -1.174 28.487 29.762 -0.169 0.000 1.562 399 H HN 0.265 nan 8.280 nan 0.000 0.765 400 P HA 0.049 nan 4.420 nan 0.000 0.212 400 P C -0.503 176.708 177.300 -0.148 0.000 0.974 400 P CA 1.422 64.215 63.100 -0.511 0.000 1.226 400 P CB -0.393 31.157 31.700 -0.251 0.000 1.258 401 G N 1.149 109.995 108.800 0.077 0.000 2.753 401 G HA2 0.805 4.765 3.960 -0.000 0.000 0.303 401 G HA3 0.805 4.765 3.960 -0.000 0.000 0.303 401 G C -1.838 173.173 174.900 0.186 0.000 1.242 401 G CA -0.091 45.131 45.100 0.202 0.000 0.810 401 G HN 0.469 nan 8.290 nan 0.000 0.515 402 A N -1.363 121.441 122.820 -0.027 0.000 2.612 402 A HA 0.744 5.063 4.320 -0.000 0.000 0.293 402 A C -0.027 177.406 177.584 -0.252 0.000 1.075 402 A CA -0.263 51.622 52.037 -0.254 0.000 0.680 402 A CB 1.428 20.380 19.000 -0.080 0.000 1.279 402 A HN 0.537 nan 8.150 nan 0.000 0.411 403 K N -0.724 119.503 120.400 -0.288 0.000 2.313 403 K HA 0.257 4.577 4.320 -0.000 0.000 0.197 403 K C -0.897 175.426 176.600 -0.463 0.000 1.061 403 K CA 1.022 57.090 56.287 -0.365 0.000 0.980 403 K CB 0.344 32.600 32.500 -0.406 0.000 0.888 403 K HN 0.609 nan 8.250 nan 0.000 0.502 404 Y N -0.345 119.937 120.300 -0.030 0.000 2.534 404 Y HA 0.387 4.936 4.550 -0.000 0.000 0.345 404 Y C -0.791 175.101 175.900 -0.014 0.000 1.031 404 Y CA -1.246 56.843 58.100 -0.018 0.000 1.022 404 Y CB 2.130 40.578 38.460 -0.020 0.000 1.292 404 Y HN -0.400 nan 8.280 nan 0.000 0.459 405 V N 4.682 124.692 119.914 0.160 0.000 2.487 405 V HA 0.505 4.625 4.120 -0.000 0.000 0.298 405 V C -0.587 175.492 176.094 -0.026 0.000 1.028 405 V CA -0.741 61.608 62.300 0.082 0.000 0.860 405 V CB 1.588 33.471 31.823 0.101 0.000 0.991 405 V HN 0.531 nan 8.190 nan 0.000 0.427 406 I N 4.928 125.441 120.570 -0.094 0.000 2.418 406 I HA 0.577 4.747 4.170 -0.000 0.000 0.287 406 I C 0.049 175.880 176.117 -0.477 0.000 1.008 406 I CA -0.714 60.444 61.300 -0.237 0.000 1.104 406 I CB 1.790 39.693 38.000 -0.161 0.000 1.264 406 I HN 0.482 nan 8.210 nan 0.000 0.438 407 R N 2.705 122.727 120.500 -0.797 0.000 2.528 407 R HA 0.218 4.558 4.340 -0.000 0.000 0.271 407 R C 0.717 176.658 176.300 -0.597 0.000 1.056 407 R CA -0.596 54.684 56.100 -1.366 0.000 1.117 407 R CB 0.663 30.118 30.300 -1.408 0.000 1.085 407 R HN 0.654 nan 8.270 nan 0.000 0.530 408 D N 0.232 120.409 120.400 -0.371 0.000 2.157 408 D HA -0.233 4.407 4.640 -0.000 0.000 0.191 408 D C 0.342 176.572 176.300 -0.116 0.000 1.004 408 D CA 1.659 55.606 54.000 -0.088 0.000 0.854 408 D CB -0.532 40.309 40.800 0.069 0.000 0.936 408 D HN 0.448 nan 8.370 nan 0.000 0.446 409 S N 0.241 115.862 115.700 -0.132 0.000 4.051 409 S HA 0.348 4.818 4.470 -0.000 0.000 0.215 409 S C 1.142 175.663 174.600 -0.132 0.000 1.289 409 S CA -0.346 57.791 58.200 -0.105 0.000 0.907 409 S CB -0.687 62.467 63.200 -0.076 0.000 1.603 409 S HN 0.501 nan 8.310 nan 0.000 0.453 410 G N 2.079 110.809 108.800 -0.118 0.000 2.629 410 G HA2 -0.003 3.956 3.960 -0.000 0.000 0.332 410 G HA3 -0.003 3.956 3.960 -0.000 0.000 0.332 410 G C -0.252 174.578 174.900 -0.118 0.000 0.255 410 G CA 0.482 45.513 45.100 -0.114 0.000 1.157 410 G HN 0.853 nan 8.290 nan 0.000 0.437 411 D N 0.408 120.716 120.400 -0.154 0.000 2.977 411 D HA 0.322 4.962 4.640 -0.000 0.000 0.220 411 D C -0.129 176.077 176.300 -0.157 0.000 1.267 411 D CA -0.719 53.198 54.000 -0.138 0.000 0.884 411 D CB 1.065 41.788 40.800 -0.129 0.000 1.667 411 D HN 0.238 nan 8.370 nan 0.000 0.536 412 R N 3.508 123.931 120.500 -0.128 0.000 2.221 412 R HA 0.500 4.840 4.340 -0.000 0.000 0.327 412 R C -0.169 176.117 176.300 -0.023 0.000 1.033 412 R CA -0.555 55.481 56.100 -0.107 0.000 0.887 412 R CB 0.816 31.009 30.300 -0.180 0.000 1.057 412 R HN 0.456 nan 8.270 nan 0.000 0.455 413 I N 2.801 123.377 120.570 0.009 0.000 2.352 413 I HA 0.020 4.190 4.170 -0.000 0.000 0.290 413 I C 0.171 176.378 176.117 0.150 0.000 1.036 413 I CA -0.144 61.182 61.300 0.044 0.000 1.336 413 I CB 0.975 38.985 38.000 0.017 0.000 1.407 413 I HN 0.416 nan 8.210 nan 0.000 0.497 414 D N 7.563 128.038 120.400 0.126 0.000 2.441 414 D HA 0.146 4.786 4.640 -0.000 0.000 0.221 414 D C 1.162 177.487 176.300 0.042 0.000 1.156 414 D CA -0.175 53.887 54.000 0.102 0.000 0.896 414 D CB 0.953 41.788 40.800 0.059 0.000 1.028 414 D HN 0.478 nan 8.370 nan 0.000 0.509 415 L N 3.325 124.526 121.223 -0.036 0.000 2.270 415 L HA -0.212 4.128 4.340 -0.000 0.000 0.217 415 L C 2.168 179.048 176.870 0.016 0.000 1.107 415 L CA 1.098 55.928 54.840 -0.016 0.000 0.772 415 L CB -0.294 41.727 42.059 -0.062 0.000 0.902 415 L HN 0.374 nan 8.230 nan 0.000 0.439 416 R N -1.914 118.625 120.500 0.066 0.000 2.310 416 R HA 0.018 4.357 4.340 -0.000 0.000 0.202 416 R C 0.670 177.029 176.300 0.098 0.000 0.933 416 R CA 0.531 56.672 56.100 0.069 0.000 1.054 416 R CB -0.016 30.297 30.300 0.022 0.000 0.985 416 R HN 0.381 nan 8.270 nan 0.000 0.489 417 Y N -0.757 119.523 120.300 -0.034 0.000 2.589 417 Y HA 0.150 4.700 4.550 -0.000 0.000 0.274 417 Y C 0.705 176.601 175.900 -0.007 0.000 1.177 417 Y CA -0.704 57.386 58.100 -0.016 0.000 1.123 417 Y CB 0.424 38.879 38.460 -0.008 0.000 1.330 417 Y HN -0.035 nan 8.280 nan 0.000 0.518 418 S N 3.245 119.052 115.700 0.179 0.000 2.931 418 S HA -0.139 4.331 4.470 -0.000 0.000 0.342 418 S C 1.189 175.833 174.600 0.074 0.000 1.220 418 S CA 0.294 58.551 58.200 0.096 0.000 1.045 418 S CB 0.214 63.456 63.200 0.070 0.000 0.758 418 S HN 0.514 nan 8.310 nan 0.000 0.508 419 K N 4.406 124.843 120.400 0.061 0.000 2.589 419 K HA -0.052 4.268 4.320 -0.000 0.000 0.195 419 K C 0.986 177.609 176.600 0.039 0.000 1.040 419 K CA 1.222 57.536 56.287 0.045 0.000 0.950 419 K CB -0.044 32.478 32.500 0.038 0.000 0.781 419 K HN 0.605 nan 8.250 nan 0.000 0.486 420 R N -0.321 120.206 120.500 0.045 0.000 2.659 420 R HA 0.257 4.597 4.340 -0.000 0.000 0.418 420 R C 1.142 177.470 176.300 0.046 0.000 1.076 420 R CA 0.227 56.353 56.100 0.044 0.000 1.093 420 R CB 0.823 31.153 30.300 0.051 0.000 1.400 420 R HN 0.234 nan 8.270 nan 0.000 0.583 421 A N 0.751 123.596 122.820 0.041 0.000 1.859 421 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 421 A C 2.149 179.751 177.584 0.031 0.000 1.198 421 A CA 2.090 54.148 52.037 0.037 0.000 0.629 421 A CB -1.024 17.992 19.000 0.027 0.000 0.830 421 A HN 0.445 nan 8.150 nan 0.000 0.446 422 G N -0.865 107.948 108.800 0.022 0.000 2.470 422 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.220 422 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.220 422 G C 1.019 175.931 174.900 0.020 0.000 1.121 422 G CA 1.078 46.188 45.100 0.017 0.000 0.766 422 G HN 0.572 nan 8.290 nan 0.000 0.553 423 D N -0.013 120.404 120.400 0.028 0.000 2.063 423 D HA 0.186 4.826 4.640 -0.000 0.000 0.289 423 D C 1.212 177.536 176.300 0.040 0.000 1.111 423 D CA -0.097 53.922 54.000 0.031 0.000 1.023 423 D CB 0.172 40.995 40.800 0.037 0.000 1.152 423 D HN 0.129 nan 8.370 nan 0.000 0.465 424 I N -1.340 119.264 120.570 0.056 0.000 9.182 424 I HA -0.283 3.887 4.170 -0.000 0.000 0.126 424 I C -0.957 175.179 176.117 0.032 0.000 1.859 424 I CA 0.157 61.505 61.300 0.079 0.000 2.053 424 I CB -0.704 37.365 38.000 0.115 0.000 3.954 424 I HN 0.458 nan 8.210 nan 0.000 0.174 425 Q N 4.717 124.519 119.800 0.004 0.000 2.795 425 Q HA 0.518 4.858 4.340 -0.000 0.000 0.220 425 Q C -0.961 174.906 176.000 -0.222 0.000 0.795 425 Q CA -0.730 55.021 55.803 -0.086 0.000 0.875 425 Q CB 0.191 28.875 28.738 -0.090 0.000 1.467 425 Q HN 0.659 nan 8.270 nan 0.000 0.449 426 L N 1.269 122.377 121.223 -0.191 0.000 2.484 426 L HA 0.015 4.355 4.340 -0.000 0.000 0.297 426 L C 0.571 177.018 176.870 -0.706 0.000 1.292 426 L CA 0.722 55.364 54.840 -0.330 0.000 0.827 426 L CB 0.065 42.041 42.059 -0.137 0.000 1.077 426 L HN 0.577 nan 8.230 nan 0.000 0.560 427 Q N 0.475 119.635 119.800 -1.067 0.000 2.274 427 Q HA 0.311 4.651 4.340 -0.000 0.000 0.268 427 Q C -1.362 174.357 176.000 -0.469 0.000 1.015 427 Q CA -0.830 54.411 55.803 -0.936 0.000 0.775 427 Q CB 1.945 29.746 28.738 -1.562 0.000 1.256 427 Q HN 0.292 nan 8.270 nan 0.000 0.442 428 Y N 0.643 120.780 120.300 -0.272 0.000 3.059 428 Y HA -0.014 4.536 4.550 -0.000 0.000 0.343 428 Y C 1.699 177.570 175.900 -0.048 0.000 1.273 428 Y CA 2.314 60.335 58.100 -0.132 0.000 1.572 428 Y CB 0.006 38.395 38.460 -0.119 0.000 1.228 428 Y HN 1.023 nan 8.280 nan 0.000 0.610 429 G N 0.093 108.999 108.800 0.176 0.000 2.308 429 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.221 429 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.221 429 G C -0.001 175.079 174.900 0.300 0.000 1.032 429 G CA -0.323 44.898 45.100 0.201 0.000 0.623 429 G HN 0.518 nan 8.290 nan 0.000 0.506 430 W N 2.073 123.378 121.300 0.008 0.000 2.079 430 W HA 0.652 5.312 4.660 -0.000 0.000 0.354 430 W C 0.920 177.431 176.519 -0.013 0.000 1.302 430 W CA -0.198 57.144 57.345 -0.006 0.000 1.281 430 W CB 0.347 29.802 29.460 -0.009 0.000 1.165 430 W HN 0.069 nan 8.180 nan 0.000 0.603 431 K N 0.816 121.309 120.400 0.156 0.000 2.259 431 K HA 0.608 4.928 4.320 -0.000 0.000 0.249 431 K C -1.369 175.284 176.600 0.088 0.000 0.942 431 K CA -1.069 55.267 56.287 0.081 0.000 0.816 431 K CB 2.311 34.813 32.500 0.002 0.000 1.155 431 K HN 0.061 nan 8.250 nan 0.000 0.428 432 V N 2.417 122.381 119.914 0.083 0.000 2.357 432 V HA 0.139 4.259 4.120 -0.000 0.000 0.281 432 V C -0.438 175.704 176.094 0.080 0.000 1.015 432 V CA -0.835 61.518 62.300 0.089 0.000 0.827 432 V CB 1.080 32.956 31.823 0.089 0.000 1.018 432 V HN 0.713 nan 8.190 nan 0.000 0.432 433 E N 5.159 125.412 120.200 0.088 0.000 2.292 433 E HA 0.225 4.575 4.350 -0.000 0.000 0.265 433 E C 0.326 176.969 176.600 0.072 0.000 1.093 433 E CA -0.106 56.355 56.400 0.102 0.000 0.922 433 E CB 0.760 30.566 29.700 0.177 0.000 1.001 433 E HN 0.716 nan 8.360 nan 0.000 0.444 434 R N 2.597 123.147 120.500 0.083 0.000 2.843 434 R HA 0.420 4.759 4.340 -0.000 0.000 0.232 434 R C 0.048 176.351 176.300 0.005 0.000 1.305 434 R CA -0.854 55.253 56.100 0.012 0.000 1.096 434 R CB 0.636 30.977 30.300 0.070 0.000 1.455 434 R HN 0.399 nan 8.270 nan 0.000 0.520 435 H N -0.002 119.116 119.070 0.080 0.000 2.607 435 H HA 0.179 4.735 4.556 -0.000 0.000 0.367 435 H C 0.310 175.712 175.328 0.124 0.000 1.181 435 H CA -0.315 55.796 56.048 0.104 0.000 1.402 435 H CB 0.789 30.581 29.762 0.050 0.000 1.474 435 H HN 0.282 nan 8.280 nan 0.000 0.596 436 I N 2.944 123.700 120.570 0.310 0.000 2.556 436 I HA -0.008 4.162 4.170 -0.000 0.000 0.284 436 I C 0.835 177.079 176.117 0.213 0.000 1.114 436 I CA 0.681 62.111 61.300 0.218 0.000 1.418 436 I CB -0.376 37.745 38.000 0.202 0.000 1.394 436 I HN 0.362 nan 8.210 nan 0.000 0.552 437 M N 3.606 123.281 119.600 0.125 0.000 2.690 437 M HA 0.327 4.807 4.480 -0.000 0.000 0.302 437 M C -0.537 175.809 176.300 0.077 0.000 1.234 437 M CA -1.064 54.309 55.300 0.121 0.000 0.853 437 M CB 1.528 34.159 32.600 0.052 0.000 1.748 437 M HN 0.331 nan 8.290 nan 0.000 0.469 438 D N 2.455 122.903 120.400 0.079 0.000 2.662 438 D HA -0.008 4.632 4.640 -0.000 0.000 0.233 438 D C -0.128 176.184 176.300 0.020 0.000 1.129 438 D CA 1.364 55.391 54.000 0.044 0.000 0.851 438 D CB -0.069 40.755 40.800 0.039 0.000 1.152 438 D HN 0.561 nan 8.370 nan 0.000 0.507 439 N N 0.975 119.683 118.700 0.014 0.000 2.999 439 N HA -0.152 4.588 4.740 -0.000 0.000 0.242 439 N C -1.216 174.287 175.510 -0.012 0.000 1.016 439 N CA 0.397 53.449 53.050 0.003 0.000 0.894 439 N CB -0.900 37.586 38.487 -0.001 0.000 1.113 439 N HN 0.492 nan 8.380 nan 0.000 0.555 440 D N 1.687 122.079 120.400 -0.013 0.000 2.348 440 D HA 0.185 4.825 4.640 -0.000 0.000 0.253 440 D C -1.972 174.323 176.300 -0.008 0.000 1.161 440 D CA -0.738 53.234 54.000 -0.046 0.000 0.876 440 D CB 0.961 41.739 40.800 -0.036 0.000 1.160 440 D HN 0.159 nan 8.370 nan 0.000 0.459 441 P HA 0.078 nan 4.420 nan 0.000 0.276 441 P C -0.510 176.826 177.300 0.060 0.000 1.230 441 P CA -0.408 62.711 63.100 0.032 0.000 0.776 441 P CB 1.279 32.994 31.700 0.026 0.000 0.888 442 V N 1.536 121.503 119.914 0.089 0.000 3.049 442 V HA 0.481 4.601 4.120 -0.000 0.000 0.309 442 V C -0.838 175.349 176.094 0.157 0.000 1.148 442 V CA -1.320 61.048 62.300 0.113 0.000 0.990 442 V CB 2.106 33.985 31.823 0.094 0.000 1.039 442 V HN 0.383 nan 8.190 nan 0.000 0.430 443 L N 3.437 124.770 121.223 0.184 0.000 2.281 443 L HA 0.513 4.853 4.340 -0.000 0.000 0.285 443 L C -1.064 175.980 176.870 0.290 0.000 1.074 443 L CA -0.306 54.667 54.840 0.222 0.000 0.817 443 L CB 0.913 43.071 42.059 0.165 0.000 1.168 443 L HN 0.787 nan 8.230 nan 0.000 0.434 444 F N 6.070 126.055 119.950 0.058 0.000 2.469 444 F HA 0.464 4.990 4.527 -0.000 0.000 0.332 444 F C -0.146 175.633 175.800 -0.035 0.000 1.103 444 F CA -1.036 56.880 58.000 -0.139 0.000 0.979 444 F CB 1.340 40.055 39.000 -0.475 0.000 1.137 444 F HN 0.519 nan 8.300 nan 0.000 0.463 445 N N 4.807 123.230 118.700 -0.462 0.000 2.331 445 N HA 0.370 5.110 4.740 -0.000 0.000 0.280 445 N C -2.019 173.190 175.510 -0.500 0.000 1.155 445 N CA -0.718 52.149 53.050 -0.305 0.000 0.822 445 N CB 2.371 40.837 38.487 -0.035 0.000 1.619 445 N HN 0.819 nan 8.380 nan 0.000 0.476 446 R N 2.735 123.064 120.500 -0.285 0.000 2.435 446 R HA 0.243 4.583 4.340 -0.000 0.000 0.308 446 R C -0.910 175.327 176.300 -0.104 0.000 0.975 446 R CA -0.362 55.590 56.100 -0.247 0.000 0.867 446 R CB 1.137 31.291 30.300 -0.242 0.000 1.171 446 R HN 0.598 nan 8.270 nan 0.000 0.470 447 Q N 4.117 123.857 119.800 -0.099 0.000 2.373 447 Q HA 0.218 4.557 4.340 -0.000 0.000 0.255 447 Q C -1.967 173.994 176.000 -0.064 0.000 0.980 447 Q CA -1.283 54.480 55.803 -0.066 0.000 0.882 447 Q CB 0.680 29.389 28.738 -0.049 0.000 1.249 447 Q HN 0.463 nan 8.270 nan 0.000 0.438 448 P HA 0.057 nan 4.420 nan 0.000 0.281 448 P C -1.132 176.115 177.300 -0.088 0.000 1.252 448 P CA -0.349 62.712 63.100 -0.064 0.000 0.778 448 P CB 1.019 32.683 31.700 -0.060 0.000 0.895 449 S N 3.553 119.205 115.700 -0.079 0.000 2.701 449 S HA 0.149 4.619 4.470 -0.000 0.000 0.317 449 S C 1.498 176.021 174.600 -0.129 0.000 1.149 449 S CA -0.513 57.632 58.200 -0.092 0.000 1.052 449 S CB -0.382 62.783 63.200 -0.057 0.000 1.257 449 S HN 0.389 nan 8.310 nan 0.000 0.532 450 L N 1.679 122.767 121.223 -0.226 0.000 2.209 450 L HA 0.111 4.451 4.340 -0.000 0.000 0.207 450 L C 0.687 177.444 176.870 -0.188 0.000 1.094 450 L CA 0.673 55.370 54.840 -0.239 0.000 0.790 450 L CB -0.307 41.573 42.059 -0.298 0.000 0.932 450 L HN 0.712 nan 8.230 nan 0.000 0.447 451 H N -3.923 115.093 119.070 -0.090 0.000 2.980 451 H HA 0.298 4.854 4.556 -0.000 0.000 0.367 451 H C 0.414 175.680 175.328 -0.103 0.000 1.206 451 H CA -1.838 54.144 56.048 -0.111 0.000 1.126 451 H CB 0.469 30.151 29.762 -0.133 0.000 1.838 451 H HN -0.128 nan 8.280 nan 0.000 0.552 452 K N 0.416 120.865 120.400 0.082 0.000 2.148 452 K HA -0.312 4.008 4.320 -0.000 0.000 0.213 452 K C 0.881 177.499 176.600 0.030 0.000 1.050 452 K CA 2.663 58.958 56.287 0.014 0.000 0.932 452 K CB -0.635 31.835 32.500 -0.050 0.000 0.717 452 K HN 0.455 nan 8.250 nan 0.000 0.462 453 M N 1.332 120.965 119.600 0.056 0.000 2.706 453 M HA -0.008 4.472 4.480 -0.000 0.000 0.251 453 M C 1.206 177.457 176.300 -0.082 0.000 1.070 453 M CA 0.914 56.189 55.300 -0.042 0.000 1.073 453 M CB 0.124 32.637 32.600 -0.145 0.000 1.449 453 M HN 0.079 nan 8.290 nan 0.000 0.531 454 S N -0.258 115.469 115.700 0.044 0.000 2.631 454 S HA 0.313 4.782 4.470 -0.000 0.000 0.217 454 S C 0.451 175.174 174.600 0.205 0.000 0.958 454 S CA 0.314 58.555 58.200 0.068 0.000 0.920 454 S CB -0.011 63.182 63.200 -0.012 0.000 0.776 454 S HN 0.397 nan 8.310 nan 0.000 0.517 455 M N 1.665 121.355 119.600 0.150 0.000 2.134 455 M HA 0.388 4.868 4.480 -0.000 0.000 0.249 455 M C -1.329 175.075 176.300 0.173 0.000 0.955 455 M CA 0.235 55.644 55.300 0.181 0.000 1.037 455 M CB 1.515 34.156 32.600 0.068 0.000 2.110 455 M HN 0.091 nan 8.290 nan 0.000 0.449 456 M N 1.343 121.132 119.600 0.316 0.000 2.761 456 M HA 0.830 5.310 4.480 -0.000 0.000 0.305 456 M C -0.143 176.361 176.300 0.340 0.000 1.235 456 M CA -0.857 54.580 55.300 0.228 0.000 0.850 456 M CB 2.362 35.032 32.600 0.117 0.000 1.744 456 M HN 0.608 nan 8.290 nan 0.000 0.480 457 A N 0.653 123.586 122.820 0.188 0.000 2.301 457 A HA 0.663 4.983 4.320 -0.000 0.000 0.312 457 A C -1.026 176.680 177.584 0.203 0.000 1.182 457 A CA -0.412 51.753 52.037 0.214 0.000 0.826 457 A CB 0.278 19.337 19.000 0.098 0.000 1.134 457 A HN 0.904 nan 8.150 nan 0.000 0.501 458 H N 0.867 119.970 119.070 0.055 0.000 2.834 458 H HA 0.435 4.991 4.556 -0.000 0.000 0.369 458 H C -0.641 174.681 175.328 -0.009 0.000 1.174 458 H CA -1.019 55.038 56.048 0.014 0.000 1.165 458 H CB 1.720 31.463 29.762 -0.032 0.000 1.820 458 H HN 0.681 nan 8.280 nan 0.000 0.558 459 R N 0.840 121.415 120.500 0.124 0.000 2.349 459 R HA 0.318 4.658 4.340 -0.000 0.000 0.299 459 R C -0.466 175.857 176.300 0.037 0.000 1.027 459 R CA -0.614 55.520 56.100 0.056 0.000 0.958 459 R CB 1.364 31.684 30.300 0.034 0.000 1.047 459 R HN 0.192 nan 8.270 nan 0.000 0.468 460 V N 3.143 123.069 119.914 0.020 0.000 2.881 460 V HA 0.163 4.283 4.120 -0.000 0.000 0.303 460 V C 0.307 176.406 176.094 0.009 0.000 1.070 460 V CA 0.086 62.389 62.300 0.005 0.000 1.074 460 V CB 1.268 33.103 31.823 0.021 0.000 1.012 460 V HN 0.547 nan 8.190 nan 0.000 0.482 461 K N 3.449 123.847 120.400 -0.003 0.000 2.764 461 K HA 0.286 4.606 4.320 -0.000 0.000 0.239 461 K C -1.197 175.392 176.600 -0.018 0.000 1.048 461 K CA -0.376 55.910 56.287 -0.001 0.000 1.057 461 K CB 1.400 33.901 32.500 0.001 0.000 1.251 461 K HN 0.433 nan 8.250 nan 0.000 0.524 462 V N 5.566 125.467 119.914 -0.022 0.000 2.599 462 V HA 0.237 4.357 4.120 -0.000 0.000 0.300 462 V C 1.050 177.090 176.094 -0.090 0.000 1.034 462 V CA 0.010 62.260 62.300 -0.083 0.000 1.115 462 V CB -0.307 31.427 31.823 -0.148 0.000 0.934 462 V HN 0.605 nan 8.190 nan 0.000 0.485 463 I N 2.331 122.838 120.570 -0.105 0.000 3.354 463 I HA 0.791 4.961 4.170 -0.000 0.000 0.316 463 I C -2.815 173.241 176.117 -0.101 0.000 1.182 463 I CA -2.518 58.739 61.300 -0.071 0.000 0.942 463 I CB 2.332 40.323 38.000 -0.015 0.000 1.299 463 I HN 0.385 nan 8.210 nan 0.000 0.473 464 P HA 0.429 nan 4.420 nan 0.000 0.287 464 P C -1.484 175.789 177.300 -0.046 0.000 1.296 464 P CA -0.152 62.836 63.100 -0.187 0.000 0.811 464 P CB 0.680 32.166 31.700 -0.356 0.000 1.211 465 Y N -3.066 117.173 120.300 -0.101 0.000 2.506 465 Y HA -0.213 4.336 4.550 -0.000 0.000 0.020 465 Y C 1.321 177.145 175.900 -0.128 0.000 1.702 465 Y CA 0.502 58.544 58.100 -0.098 0.000 1.419 465 Y CB -2.117 36.293 38.460 -0.083 0.000 2.065 465 Y HN 0.253 nan 8.280 nan 0.000 0.254 466 S N -0.533 115.191 115.700 0.041 0.000 2.710 466 S HA 0.184 4.654 4.470 -0.000 0.000 0.224 466 S C 0.200 174.723 174.600 -0.128 0.000 0.948 466 S CA 0.422 58.579 58.200 -0.071 0.000 0.949 466 S CB -0.427 62.738 63.200 -0.058 0.000 0.778 466 S HN 0.678 nan 8.310 nan 0.000 0.498 467 T N -0.757 113.734 114.554 -0.105 0.000 2.863 467 T HA 0.661 5.011 4.350 -0.000 0.000 0.285 467 T C -0.363 174.261 174.700 -0.128 0.000 1.009 467 T CA -0.828 61.200 62.100 -0.120 0.000 0.989 467 T CB 0.669 69.512 68.868 -0.043 0.000 1.004 467 T HN 0.041 nan 8.240 nan 0.000 0.455 468 F N 2.045 121.987 119.950 -0.014 0.000 2.538 468 F HA 0.332 4.859 4.527 -0.000 0.000 0.371 468 F C 1.554 177.316 175.800 -0.064 0.000 1.087 468 F CA -0.337 57.640 58.000 -0.038 0.000 1.250 468 F CB 0.665 39.709 39.000 0.074 0.000 1.110 468 F HN 0.272 nan 8.300 nan 0.000 0.570 469 R N 5.499 126.045 120.500 0.077 0.000 2.445 469 R HA 0.709 5.049 4.340 -0.000 0.000 0.308 469 R C -1.041 175.256 176.300 -0.004 0.000 0.961 469 R CA -0.938 55.156 56.100 -0.010 0.000 0.862 469 R CB 1.752 32.027 30.300 -0.042 0.000 1.144 469 R HN 0.663 nan 8.270 nan 0.000 0.447 470 L N -0.719 120.524 121.223 0.035 0.000 2.350 470 L HA 0.589 4.929 4.340 -0.000 0.000 0.260 470 L C -0.341 176.619 176.870 0.150 0.000 1.015 470 L CA -1.282 53.631 54.840 0.122 0.000 0.821 470 L CB 1.876 44.096 42.059 0.269 0.000 1.370 470 L HN 0.403 nan 8.230 nan 0.000 0.416 471 N N 0.966 119.769 118.700 0.171 0.000 2.479 471 N HA 0.142 4.882 4.740 -0.000 0.000 0.257 471 N C 0.721 176.353 175.510 0.204 0.000 1.232 471 N CA 0.034 53.175 53.050 0.150 0.000 0.920 471 N CB 1.373 39.925 38.487 0.108 0.000 1.105 471 N HN 0.846 nan 8.380 nan 0.000 0.444 472 L N 1.921 123.262 121.223 0.196 0.000 2.131 472 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 472 L C 2.281 179.263 176.870 0.187 0.000 1.092 472 L CA 0.908 55.888 54.840 0.232 0.000 0.759 472 L CB -0.257 41.924 42.059 0.203 0.000 0.903 472 L HN 0.530 nan 8.230 nan 0.000 0.435 473 S N -1.045 114.746 115.700 0.153 0.000 2.423 473 S HA -0.112 4.358 4.470 -0.000 0.000 0.231 473 S C 1.598 176.224 174.600 0.044 0.000 1.014 473 S CA 0.781 59.058 58.200 0.127 0.000 0.965 473 S CB -0.000 63.322 63.200 0.203 0.000 0.785 473 S HN 0.273 nan 8.310 nan 0.000 0.495 474 V N 1.775 121.723 119.914 0.057 0.000 3.620 474 V HA 0.050 4.170 4.120 -0.000 0.000 0.286 474 V C 1.853 178.073 176.094 0.211 0.000 1.288 474 V CA 0.943 63.286 62.300 0.072 0.000 1.178 474 V CB -0.718 31.209 31.823 0.173 0.000 0.986 474 V HN 0.464 nan 8.190 nan 0.000 0.431 475 T N -0.547 114.122 114.554 0.191 0.000 2.812 475 T HA -0.117 4.233 4.350 -0.000 0.000 0.264 475 T C 2.076 176.838 174.700 0.104 0.000 1.042 475 T CA 2.030 64.246 62.100 0.192 0.000 1.140 475 T CB -0.010 68.926 68.868 0.113 0.000 0.870 475 T HN 0.661 nan 8.240 nan 0.000 0.445 476 S N 1.808 117.535 115.700 0.045 0.000 2.356 476 S HA -0.039 4.431 4.470 -0.000 0.000 0.223 476 S C -0.453 174.142 174.600 -0.008 0.000 1.032 476 S CA 1.313 59.520 58.200 0.011 0.000 1.005 476 S CB -1.301 61.904 63.200 0.008 0.000 0.867 476 S HN 0.469 nan 8.310 nan 0.000 0.449 477 P HA -0.117 nan 4.420 nan 0.000 0.216 477 P C 0.802 178.020 177.300 -0.136 0.000 1.153 477 P CA 1.263 64.284 63.100 -0.132 0.000 0.858 477 P CB -0.118 31.376 31.700 -0.343 0.000 0.789 478 Y N -2.085 118.226 120.300 0.019 0.000 2.337 478 Y HA -0.010 4.540 4.550 -0.000 0.000 0.293 478 Y C 1.233 177.086 175.900 -0.079 0.000 1.123 478 Y CA 0.763 58.836 58.100 -0.045 0.000 1.201 478 Y CB -0.475 37.951 38.460 -0.057 0.000 1.011 478 Y HN -0.011 nan 8.280 nan 0.000 0.545 479 N N -0.815 117.930 118.700 0.075 0.000 2.921 479 N HA -0.147 4.593 4.740 -0.000 0.000 0.248 479 N C -0.758 174.740 175.510 -0.019 0.000 1.118 479 N CA -0.078 52.972 53.050 0.001 0.000 0.740 479 N CB -1.065 37.399 38.487 -0.037 0.000 1.091 479 N HN 0.244 nan 8.380 nan 0.000 0.553 480 A N 1.061 123.877 122.820 -0.006 0.000 2.309 480 A HA 0.532 4.852 4.320 -0.000 0.000 0.298 480 A C -0.248 177.164 177.584 -0.287 0.000 1.165 480 A CA -0.179 51.804 52.037 -0.089 0.000 0.821 480 A CB 0.620 19.608 19.000 -0.020 0.000 1.102 480 A HN 0.454 nan 8.150 nan 0.000 0.500 481 D N -0.081 120.144 120.400 -0.292 0.000 2.350 481 D HA 0.523 5.162 4.640 -0.000 0.000 0.238 481 D C -0.567 175.514 176.300 -0.365 0.000 0.989 481 D CA -0.545 53.201 54.000 -0.424 0.000 0.921 481 D CB 0.756 41.441 40.800 -0.192 0.000 1.297 481 D HN 0.359 nan 8.370 nan 0.000 0.490 482 F N -0.182 119.783 119.950 0.024 0.000 2.668 482 F HA 0.109 4.636 4.527 -0.000 0.000 0.297 482 F C 1.270 177.079 175.800 0.014 0.000 1.124 482 F CA -0.669 57.345 58.000 0.023 0.000 1.353 482 F CB 0.301 39.319 39.000 0.029 0.000 0.992 482 F HN 0.407 nan 8.300 nan 0.000 0.524 483 D N 0.346 120.806 120.400 0.102 0.000 2.338 483 D HA 0.034 4.673 4.640 -0.000 0.000 0.239 483 D C 1.324 177.661 176.300 0.062 0.000 1.095 483 D CA 0.853 54.891 54.000 0.063 0.000 0.888 483 D CB 0.257 41.066 40.800 0.016 0.000 0.899 483 D HN 0.441 nan 8.370 nan 0.000 0.525 484 G N 0.904 109.761 108.800 0.094 0.000 2.189 484 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.113 484 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.113 484 G C -0.769 174.172 174.900 0.067 0.000 1.038 484 G CA -0.497 44.647 45.100 0.074 0.000 0.704 484 G HN 0.306 nan 8.290 nan 0.000 0.490 485 D N 0.694 121.147 120.400 0.088 0.000 2.313 485 D HA 0.546 5.185 4.640 -0.000 0.000 0.247 485 D C 0.553 176.894 176.300 0.068 0.000 1.094 485 D CA 0.295 54.327 54.000 0.054 0.000 0.925 485 D CB 0.951 41.770 40.800 0.033 0.000 1.188 485 D HN 0.379 nan 8.370 nan 0.000 0.430 486 E N 0.810 121.026 120.200 0.027 0.000 2.207 486 E HA 0.533 4.883 4.350 -0.000 0.000 0.270 486 E C -0.493 176.073 176.600 -0.057 0.000 0.927 486 E CA -0.778 55.642 56.400 0.033 0.000 0.799 486 E CB 1.931 31.652 29.700 0.035 0.000 1.172 486 E HN 0.269 nan 8.360 nan 0.000 0.404 487 M N 1.789 121.331 119.600 -0.097 0.000 2.518 487 M HA 0.383 4.863 4.480 -0.000 0.000 0.300 487 M C -1.023 175.055 176.300 -0.370 0.000 1.175 487 M CA -1.062 54.017 55.300 -0.369 0.000 0.890 487 M CB 2.093 34.247 32.600 -0.743 0.000 1.710 487 M HN 0.358 nan 8.290 nan 0.000 0.453 488 N N 1.625 120.100 118.700 -0.374 0.000 2.487 488 N HA 0.706 5.446 4.740 -0.000 0.000 0.292 488 N C -1.423 173.958 175.510 -0.215 0.000 1.108 488 N CA -0.478 52.427 53.050 -0.240 0.000 0.956 488 N CB 1.424 39.841 38.487 -0.117 0.000 1.176 488 N HN 0.453 nan 8.380 nan 0.000 0.484 489 L N 1.498 122.623 121.223 -0.162 0.000 2.362 489 L HA 0.479 4.819 4.340 -0.000 0.000 0.271 489 L C -1.091 175.712 176.870 -0.111 0.000 1.002 489 L CA -0.454 54.387 54.840 0.002 0.000 0.818 489 L CB 1.209 43.303 42.059 0.058 0.000 1.298 489 L HN 0.560 nan 8.230 nan 0.000 0.420 490 H N 3.708 122.845 119.070 0.111 0.000 2.667 490 H HA 0.515 5.070 4.556 -0.000 0.000 0.353 490 H C -1.308 174.103 175.328 0.140 0.000 1.072 490 H CA -0.705 55.417 56.048 0.125 0.000 1.214 490 H CB 2.255 32.073 29.762 0.094 0.000 1.600 490 H HN 0.336 nan 8.280 nan 0.000 0.527 491 V N 5.894 125.973 119.914 0.274 0.000 2.370 491 V HA 0.175 4.295 4.120 -0.000 0.000 0.283 491 V C -1.692 174.513 176.094 0.186 0.000 1.023 491 V CA -1.492 60.948 62.300 0.233 0.000 0.857 491 V CB 1.430 33.419 31.823 0.276 0.000 0.985 491 V HN 0.634 nan 8.190 nan 0.000 0.443 492 P HA 0.060 nan 4.420 nan 0.000 0.271 492 P C -0.469 176.878 177.300 0.078 0.000 1.238 492 P CA 0.122 63.289 63.100 0.111 0.000 0.794 492 P CB 1.434 33.212 31.700 0.130 0.000 0.959 493 Q N -0.870 118.912 119.800 -0.030 0.000 2.313 493 Q HA 0.148 4.488 4.340 -0.000 0.000 0.263 493 Q C 0.777 176.611 176.000 -0.276 0.000 0.820 493 Q CA 0.279 55.932 55.803 -0.249 0.000 0.974 493 Q CB 0.213 28.718 28.738 -0.388 0.000 1.156 493 Q HN 0.519 nan 8.270 nan 0.000 0.517 494 S N -0.651 115.009 115.700 -0.067 0.000 2.651 494 S HA 0.271 4.741 4.470 -0.000 0.000 0.291 494 S C 0.837 175.514 174.600 0.128 0.000 1.141 494 S CA -0.341 57.846 58.200 -0.022 0.000 1.027 494 S CB 1.336 64.522 63.200 -0.024 0.000 1.043 494 S HN 0.160 nan 8.310 nan 0.000 0.530 495 E N 1.511 121.785 120.200 0.123 0.000 2.110 495 E HA -0.151 4.198 4.350 -0.000 0.000 0.193 495 E C 1.773 178.433 176.600 0.100 0.000 0.988 495 E CA 2.112 58.606 56.400 0.156 0.000 0.804 495 E CB -0.123 29.649 29.700 0.120 0.000 0.745 495 E HN 0.838 nan 8.360 nan 0.000 0.458 496 E N -1.570 118.672 120.200 0.069 0.000 2.318 496 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 496 E C 1.627 178.255 176.600 0.047 0.000 0.998 496 E CA 1.054 57.486 56.400 0.053 0.000 0.859 496 E CB -0.147 29.577 29.700 0.041 0.000 0.812 496 E HN 0.039 nan 8.360 nan 0.000 0.492 497 T N 1.431 116.014 114.554 0.049 0.000 2.737 497 T HA -0.124 4.226 4.350 -0.000 0.000 0.265 497 T C 1.792 176.526 174.700 0.056 0.000 1.038 497 T CA 1.831 63.956 62.100 0.042 0.000 1.144 497 T CB -0.142 68.747 68.868 0.036 0.000 0.866 497 T HN 0.331 nan 8.240 nan 0.000 0.434 498 R N 1.908 122.458 120.500 0.083 0.000 2.073 498 R HA 0.098 4.437 4.340 -0.000 0.000 0.234 498 R C 2.723 179.051 176.300 0.046 0.000 1.134 498 R CA 1.292 57.433 56.100 0.068 0.000 0.952 498 R CB -0.899 29.438 30.300 0.061 0.000 0.850 498 R HN 0.298 nan 8.270 nan 0.000 0.433 499 A N 1.821 124.669 122.820 0.047 0.000 1.915 499 A HA -0.335 3.985 4.320 -0.000 0.000 0.220 499 A C 2.172 179.775 177.584 0.031 0.000 1.198 499 A CA 2.123 54.182 52.037 0.037 0.000 0.647 499 A CB -0.699 18.327 19.000 0.043 0.000 0.825 499 A HN 0.554 nan 8.150 nan 0.000 0.456 500 E N -0.566 119.653 120.200 0.031 0.000 2.118 500 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 500 E C 1.937 178.547 176.600 0.017 0.000 0.992 500 E CA 1.309 57.722 56.400 0.021 0.000 0.804 500 E CB -0.192 29.516 29.700 0.014 0.000 0.741 500 E HN 0.699 nan 8.360 nan 0.000 0.458 501 L N -0.048 121.191 121.223 0.026 0.000 2.049 501 L HA -0.121 4.219 4.340 -0.000 0.000 0.203 501 L C 2.744 179.628 176.870 0.023 0.000 1.074 501 L CA 1.200 56.058 54.840 0.030 0.000 0.749 501 L CB -0.719 41.370 42.059 0.050 0.000 0.907 501 L HN 0.203 nan 8.230 nan 0.000 0.439 502 S N -0.615 115.099 115.700 0.023 0.000 2.383 502 S HA -0.209 4.261 4.470 -0.000 0.000 0.229 502 S C 1.931 176.534 174.600 0.005 0.000 1.030 502 S CA 1.084 59.293 58.200 0.014 0.000 1.002 502 S CB -0.171 63.037 63.200 0.013 0.000 0.829 502 S HN 0.396 nan 8.310 nan 0.000 0.467 503 Q N -0.279 119.525 119.800 0.007 0.000 2.373 503 Q HA 0.357 4.697 4.340 -0.000 0.000 0.210 503 Q C 1.811 177.804 176.000 -0.011 0.000 0.913 503 Q CA 0.427 56.231 55.803 0.001 0.000 0.911 503 Q CB -0.255 28.489 28.738 0.011 0.000 1.040 503 Q HN 0.460 nan 8.270 nan 0.000 0.521 504 L N -0.597 120.619 121.223 -0.012 0.000 2.269 504 L HA 0.046 4.386 4.340 -0.000 0.000 0.200 504 L C 1.272 178.120 176.870 -0.036 0.000 1.069 504 L CA 1.003 55.826 54.840 -0.029 0.000 0.804 504 L CB 0.059 42.102 42.059 -0.026 0.000 0.987 504 L HN 0.202 nan 8.230 nan 0.000 0.468 505 C N -1.086 118.201 119.300 -0.021 0.000 2.624 505 C HA 0.830 5.289 4.460 -0.000 0.000 0.263 505 C C 0.678 175.659 174.990 -0.015 0.000 1.587 505 C CA -1.558 57.447 59.018 -0.022 0.000 1.718 505 C CB -1.383 26.352 27.740 -0.009 0.000 3.050 505 C HN 0.239 nan 8.230 nan 0.000 0.517 506 A N 0.915 123.716 122.820 -0.031 0.000 2.289 506 A HA 0.590 4.909 4.320 -0.000 0.000 0.298 506 A C 1.189 178.713 177.584 -0.100 0.000 1.208 506 A CA -0.110 51.898 52.037 -0.049 0.000 0.845 506 A CB 0.470 19.448 19.000 -0.036 0.000 1.125 506 A HN 0.597 nan 8.150 nan 0.000 0.517 507 V N 3.708 123.518 119.914 -0.172 0.000 2.277 507 V HA -0.320 3.800 4.120 -0.000 0.000 0.261 507 V C -0.259 175.734 176.094 -0.168 0.000 1.091 507 V CA 2.989 65.157 62.300 -0.220 0.000 1.090 507 V CB -1.983 29.631 31.823 -0.349 0.000 0.704 507 V HN 0.821 nan 8.190 nan 0.000 0.455 508 P HA -0.188 nan 4.420 nan 0.000 0.216 508 P C 1.813 179.073 177.300 -0.067 0.000 1.157 508 P CA 1.677 64.725 63.100 -0.088 0.000 0.880 508 P CB -0.109 31.559 31.700 -0.053 0.000 0.791 509 L N -1.222 119.961 121.223 -0.068 0.000 1.973 509 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 509 L C 2.386 179.205 176.870 -0.085 0.000 1.073 509 L CA 1.302 56.104 54.840 -0.064 0.000 0.746 509 L CB -1.539 40.483 42.059 -0.061 0.000 0.891 509 L HN -0.123 nan 8.230 nan 0.000 0.433 510 Q N 0.292 120.031 119.800 -0.101 0.000 2.534 510 Q HA -0.204 4.136 4.340 -0.000 0.000 0.218 510 Q C 2.091 178.013 176.000 -0.129 0.000 0.989 510 Q CA 1.258 56.988 55.803 -0.122 0.000 0.903 510 Q CB -0.678 27.980 28.738 -0.133 0.000 0.942 510 Q HN 0.605 nan 8.270 nan 0.000 0.501 511 I N -0.495 120.011 120.570 -0.107 0.000 2.091 511 I HA -0.227 3.943 4.170 -0.000 0.000 0.239 511 I C 0.798 176.879 176.117 -0.061 0.000 1.061 511 I CA 0.985 62.239 61.300 -0.077 0.000 1.317 511 I CB 0.053 38.044 38.000 -0.015 0.000 1.031 511 I HN -0.066 nan 8.210 nan 0.000 0.401 512 V N 1.489 121.366 119.914 -0.061 0.000 2.348 512 V HA 0.110 4.230 4.120 -0.000 0.000 0.270 512 V C 0.147 176.165 176.094 -0.126 0.000 1.037 512 V CA -0.098 62.150 62.300 -0.085 0.000 0.872 512 V CB 1.151 32.953 31.823 -0.035 0.000 1.002 512 V HN 0.273 nan 8.190 nan 0.000 0.464 513 S N 8.180 123.790 115.700 -0.151 0.000 2.508 513 S HA 0.491 4.960 4.470 -0.000 0.000 0.284 513 S C -1.225 173.296 174.600 -0.131 0.000 1.192 513 S CA -1.463 56.641 58.200 -0.160 0.000 1.070 513 S CB 1.754 64.828 63.200 -0.210 0.000 1.004 513 S HN 0.632 nan 8.310 nan 0.000 0.493 514 P HA -0.071 nan 4.420 nan 0.000 0.242 514 P C 1.043 178.392 177.300 0.080 0.000 1.197 514 P CA 0.455 63.556 63.100 0.001 0.000 0.765 514 P CB 0.169 31.891 31.700 0.037 0.000 0.936 515 Q N 1.684 121.439 119.800 -0.075 0.000 2.050 515 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 515 Q C 0.480 176.431 176.000 -0.082 0.000 0.980 515 Q CA 1.879 57.606 55.803 -0.127 0.000 0.840 515 Q CB -0.016 28.567 28.738 -0.259 0.000 0.898 515 Q HN 0.245 nan 8.270 nan 0.000 0.424 516 S N 0.385 115.985 115.700 -0.167 0.000 2.399 516 S HA 0.168 4.638 4.470 -0.000 0.000 0.198 516 S C -0.533 173.978 174.600 -0.148 0.000 1.294 516 S CA -0.228 57.800 58.200 -0.286 0.000 1.237 516 S CB -0.402 62.573 63.200 -0.376 0.000 1.286 516 S HN 0.585 nan 8.310 nan 0.000 0.404 517 N N 1.586 120.237 118.700 -0.081 0.000 2.726 517 N HA -0.317 4.423 4.740 -0.000 0.000 0.263 517 N C -0.358 175.099 175.510 -0.087 0.000 0.947 517 N CA 1.738 54.771 53.050 -0.028 0.000 0.838 517 N CB -1.382 37.140 38.487 0.059 0.000 0.923 517 N HN 0.960 nan 8.380 nan 0.000 0.559 518 K N -2.535 117.742 120.400 -0.205 0.000 2.555 518 K HA 0.530 4.850 4.320 -0.000 0.000 0.279 518 K C -3.392 173.013 176.600 -0.326 0.000 0.986 518 K CA -2.017 54.024 56.287 -0.410 0.000 0.880 518 K CB 2.340 34.707 32.500 -0.222 0.000 1.474 518 K HN -0.109 nan 8.250 nan 0.000 0.433 519 P HA 0.032 nan 4.420 nan 0.000 0.271 519 P C 0.672 177.911 177.300 -0.102 0.000 1.216 519 P CA -0.373 62.634 63.100 -0.156 0.000 0.776 519 P CB 0.618 32.274 31.700 -0.074 0.000 0.881 520 C N 1.745 120.993 119.300 -0.087 0.000 2.884 520 C HA 0.528 4.988 4.460 -0.000 0.000 0.287 520 C C 0.441 175.407 174.990 -0.040 0.000 1.310 520 C CA -0.524 58.442 59.018 -0.087 0.000 1.725 520 C CB -1.406 26.243 27.740 -0.151 0.000 2.060 520 C HN 0.392 nan 8.230 nan 0.000 0.618 521 M N 1.143 120.758 119.600 0.025 0.000 2.326 521 M HA 0.610 5.090 4.480 -0.000 0.000 0.292 521 M C 0.280 176.748 176.300 0.281 0.000 1.081 521 M CA 0.190 55.546 55.300 0.092 0.000 0.919 521 M CB 2.259 34.842 32.600 -0.028 0.000 1.634 521 M HN 0.382 nan 8.290 nan 0.000 0.451 522 G N 2.730 111.688 108.800 0.263 0.000 3.259 522 G HA2 0.765 4.725 3.960 -0.000 0.000 0.178 522 G HA3 0.765 4.725 3.960 -0.000 0.000 0.178 522 G C -1.064 173.975 174.900 0.232 0.000 1.129 522 G CA -0.478 44.751 45.100 0.215 0.000 0.816 522 G HN 0.508 nan 8.290 nan 0.000 0.634 523 I N 0.966 121.583 120.570 0.079 0.000 2.493 523 I HA 0.617 4.787 4.170 -0.000 0.000 0.298 523 I C -0.133 176.022 176.117 0.064 0.000 0.998 523 I CA -0.525 60.817 61.300 0.070 0.000 1.137 523 I CB 1.202 39.192 38.000 -0.015 0.000 1.310 523 I HN 0.215 nan 8.210 nan 0.000 0.445 524 V N 3.543 123.503 119.914 0.076 0.000 3.165 524 V HA 0.509 4.629 4.120 -0.000 0.000 0.309 524 V C 0.054 176.183 176.094 0.060 0.000 1.267 524 V CA -0.823 61.514 62.300 0.061 0.000 1.067 524 V CB 1.398 33.261 31.823 0.066 0.000 1.082 524 V HN 0.832 nan 8.190 nan 0.000 0.451 525 Q N -0.117 119.716 119.800 0.056 0.000 1.592 525 Q HA -0.323 4.017 4.340 -0.000 0.000 0.416 525 Q C 1.096 177.133 176.000 0.061 0.000 0.923 525 Q CA 1.966 57.808 55.803 0.065 0.000 0.689 525 Q CB -1.354 27.432 28.738 0.080 0.000 4.407 525 Q HN 1.028 nan 8.270 nan 0.000 0.676 526 D N 0.114 120.559 120.400 0.075 0.000 2.269 526 D HA -0.173 4.467 4.640 -0.000 0.000 0.191 526 D C 1.922 178.245 176.300 0.039 0.000 1.007 526 D CA 2.787 56.827 54.000 0.067 0.000 0.855 526 D CB -0.755 40.083 40.800 0.064 0.000 0.979 526 D HN 0.624 nan 8.370 nan 0.000 0.452 527 T N 0.667 115.244 114.554 0.039 0.000 2.680 527 T HA -0.218 4.132 4.350 -0.000 0.000 0.268 527 T C 1.798 176.500 174.700 0.003 0.000 1.033 527 T CA 1.294 63.408 62.100 0.024 0.000 1.152 527 T CB -0.407 68.482 68.868 0.036 0.000 0.859 527 T HN 0.050 nan 8.240 nan 0.000 0.452 528 L N 1.125 122.352 121.223 0.006 0.000 1.993 528 L HA 0.062 4.401 4.340 -0.000 0.000 0.206 528 L C 2.783 179.628 176.870 -0.041 0.000 1.074 528 L CA 1.610 56.441 54.840 -0.015 0.000 0.746 528 L CB -1.523 40.536 42.059 0.001 0.000 0.896 528 L HN 0.471 nan 8.230 nan 0.000 0.435 529 C N 0.463 119.737 119.300 -0.044 0.000 2.396 529 C HA -0.146 4.313 4.460 -0.000 0.000 0.277 529 C C 2.786 177.686 174.990 -0.150 0.000 1.231 529 C CA 1.156 60.103 59.018 -0.117 0.000 1.775 529 C CB -1.820 25.840 27.740 -0.134 0.000 2.036 529 C HN 0.706 nan 8.230 nan 0.000 0.484 530 G N -0.145 108.610 108.800 -0.074 0.000 2.408 530 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.217 530 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.217 530 G C 1.615 176.495 174.900 -0.032 0.000 1.150 530 G CA 0.859 45.957 45.100 -0.003 0.000 0.776 530 G HN 0.655 nan 8.290 nan 0.000 0.542 531 I N 0.146 120.675 120.570 -0.069 0.000 2.286 531 I HA -0.101 4.069 4.170 -0.000 0.000 0.248 531 I C 2.797 178.819 176.117 -0.159 0.000 1.115 531 I CA 1.246 62.473 61.300 -0.122 0.000 1.392 531 I CB -0.102 37.838 38.000 -0.101 0.000 1.065 531 I HN 0.190 nan 8.210 nan 0.000 0.418 532 R N 1.287 121.712 120.500 -0.125 0.000 2.103 532 R HA -0.250 4.089 4.340 -0.000 0.000 0.234 532 R C 2.276 178.486 176.300 -0.150 0.000 1.132 532 R CA 2.165 58.192 56.100 -0.122 0.000 0.925 532 R CB -0.307 29.935 30.300 -0.096 0.000 0.842 532 R HN 0.256 nan 8.270 nan 0.000 0.430 533 K N 0.350 120.670 120.400 -0.134 0.000 2.077 533 K HA -0.216 4.104 4.320 -0.000 0.000 0.213 533 K C 2.046 178.459 176.600 -0.311 0.000 1.051 533 K CA 1.757 57.982 56.287 -0.104 0.000 0.929 533 K CB -0.487 32.052 32.500 0.066 0.000 0.715 533 K HN 0.259 nan 8.250 nan 0.000 0.451 534 L N 1.071 121.919 121.223 -0.625 0.000 2.633 534 L HA -0.075 4.265 4.340 -0.000 0.000 0.235 534 L C 1.502 178.051 176.870 -0.536 0.000 1.163 534 L CA 1.274 55.504 54.840 -1.016 0.000 0.859 534 L CB -0.007 41.370 42.059 -1.137 0.000 0.973 534 L HN 0.048 nan 8.230 nan 0.000 0.451 535 T N -1.143 113.212 114.554 -0.331 0.000 3.038 535 T HA 0.259 4.609 4.350 -0.000 0.000 0.244 535 T C 0.658 175.257 174.700 -0.168 0.000 1.016 535 T CA -0.406 61.555 62.100 -0.231 0.000 1.098 535 T CB 0.002 68.764 68.868 -0.177 0.000 0.954 535 T HN 0.075 nan 8.240 nan 0.000 0.469 536 L N 2.938 124.087 121.223 -0.124 0.000 2.678 536 L HA -0.009 4.331 4.340 -0.000 0.000 0.285 536 L C 1.687 178.519 176.870 -0.064 0.000 1.233 536 L CA 0.020 54.822 54.840 -0.063 0.000 0.920 536 L CB 0.237 42.283 42.059 -0.022 0.000 1.176 536 L HN 0.180 nan 8.230 nan 0.000 0.495 537 R N 1.720 122.198 120.500 -0.036 0.000 2.190 537 R HA -0.288 4.051 4.340 -0.000 0.000 0.255 537 R C 1.511 177.841 176.300 0.049 0.000 1.143 537 R CA 2.211 58.296 56.100 -0.025 0.000 0.965 537 R CB -0.407 29.924 30.300 0.052 0.000 0.889 537 R HN 0.724 nan 8.270 nan 0.000 0.448 538 D N 0.042 120.529 120.400 0.145 0.000 2.203 538 D HA -0.092 4.548 4.640 -0.000 0.000 0.199 538 D C -0.008 176.507 176.300 0.358 0.000 0.997 538 D CA 1.057 55.217 54.000 0.266 0.000 0.863 538 D CB -0.113 40.780 40.800 0.154 0.000 0.928 538 D HN 0.174 nan 8.370 nan 0.000 0.458 539 T N 0.882 115.511 114.554 0.125 0.000 2.738 539 T HA 0.243 4.593 4.350 -0.000 0.000 0.293 539 T C -0.183 174.487 174.700 -0.049 0.000 0.913 539 T CA -0.105 62.058 62.100 0.105 0.000 1.103 539 T CB 0.033 68.879 68.868 -0.036 0.000 0.880 539 T HN -0.153 nan 8.240 nan 0.000 0.526 540 F N 2.471 122.485 119.950 0.106 0.000 2.546 540 F HA 0.644 5.171 4.527 -0.000 0.000 0.320 540 F C 0.229 176.143 175.800 0.190 0.000 1.076 540 F CA -1.431 56.642 58.000 0.123 0.000 0.928 540 F CB 1.389 40.447 39.000 0.096 0.000 1.189 540 F HN 0.336 nan 8.300 nan 0.000 0.465 541 I N 1.966 122.749 120.570 0.356 0.000 2.545 541 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 541 I C -0.830 175.534 176.117 0.412 0.000 1.040 541 I CA -0.870 60.641 61.300 0.352 0.000 1.068 541 I CB 2.138 40.309 38.000 0.285 0.000 1.251 541 I HN 0.601 nan 8.210 nan 0.000 0.424 542 E N 5.441 125.838 120.200 0.328 0.000 2.249 542 E HA 0.191 4.541 4.350 -0.000 0.000 0.280 542 E C 0.722 177.474 176.600 0.254 0.000 1.016 542 E CA -0.745 55.858 56.400 0.339 0.000 0.830 542 E CB 2.028 31.867 29.700 0.231 0.000 1.081 542 E HN 0.471 nan 8.360 nan 0.000 0.395 543 L N 3.884 125.325 121.223 0.363 0.000 2.169 543 L HA -0.429 3.911 4.340 -0.000 0.000 0.244 543 L C 2.045 178.883 176.870 -0.054 0.000 1.122 543 L CA 3.029 57.902 54.840 0.057 0.000 0.848 543 L CB -1.025 41.189 42.059 0.259 0.000 0.953 543 L HN 1.017 nan 8.230 nan 0.000 0.447 544 D N -1.310 119.114 120.400 0.041 0.000 2.242 544 D HA -0.376 4.263 4.640 -0.000 0.000 0.190 544 D C 1.891 178.209 176.300 0.029 0.000 1.012 544 D CA 2.593 56.611 54.000 0.031 0.000 0.875 544 D CB -0.498 40.336 40.800 0.056 0.000 0.922 544 D HN 0.818 nan 8.370 nan 0.000 0.448 545 Q N 0.054 119.891 119.800 0.061 0.000 2.163 545 Q HA -0.026 4.314 4.340 -0.000 0.000 0.198 545 Q C 2.584 178.615 176.000 0.051 0.000 0.954 545 Q CA 0.411 56.292 55.803 0.129 0.000 0.851 545 Q CB 0.310 29.162 28.738 0.191 0.000 0.928 545 Q HN 0.209 nan 8.270 nan 0.000 0.459 546 V N 1.456 121.312 119.914 -0.097 0.000 2.469 546 V HA -0.278 3.842 4.120 -0.000 0.000 0.251 546 V C 2.234 178.125 176.094 -0.339 0.000 1.064 546 V CA 1.330 63.453 62.300 -0.296 0.000 1.066 546 V CB -0.429 30.940 31.823 -0.757 0.000 0.667 546 V HN 0.427 nan 8.190 nan 0.000 0.461 547 L N -0.256 120.804 121.223 -0.273 0.000 2.141 547 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 547 L C 2.396 179.156 176.870 -0.184 0.000 1.094 547 L CA 1.273 55.959 54.840 -0.257 0.000 0.763 547 L CB -0.661 41.303 42.059 -0.159 0.000 0.908 547 L HN 0.418 nan 8.230 nan 0.000 0.437 548 N N 0.047 118.713 118.700 -0.057 0.000 2.135 548 N HA -0.106 4.634 4.740 -0.000 0.000 0.186 548 N C 1.934 177.392 175.510 -0.086 0.000 1.027 548 N CA 1.189 54.234 53.050 -0.007 0.000 0.849 548 N CB -0.120 38.444 38.487 0.128 0.000 1.002 548 N HN 0.278 nan 8.380 nan 0.000 0.425 549 M N 0.632 120.192 119.600 -0.067 0.000 2.149 549 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 549 M C 2.014 178.205 176.300 -0.181 0.000 1.064 549 M CA 1.234 56.486 55.300 -0.080 0.000 1.102 549 M CB -0.263 32.346 32.600 0.015 0.000 1.369 549 M HN 0.102 nan 8.290 nan 0.000 0.408 550 L N -1.668 119.332 121.223 -0.372 0.000 2.056 550 L HA -0.241 4.099 4.340 -0.000 0.000 0.207 550 L C 2.545 179.069 176.870 -0.576 0.000 1.078 550 L CA 1.118 55.520 54.840 -0.731 0.000 0.749 550 L CB -0.738 40.540 42.059 -1.301 0.000 0.901 550 L HN 0.261 nan 8.230 nan 0.000 0.433 551 Y N -0.674 119.334 120.300 -0.487 0.000 2.242 551 Y HA -0.246 4.304 4.550 -0.000 0.000 0.291 551 Y C 2.142 177.946 175.900 -0.160 0.000 1.137 551 Y CA 0.832 58.791 58.100 -0.235 0.000 1.181 551 Y CB -0.661 37.675 38.460 -0.207 0.000 0.989 551 Y HN 0.089 nan 8.280 nan 0.000 0.527 552 W N 0.144 121.267 121.300 -0.295 0.000 2.364 552 W HA -0.101 4.559 4.660 -0.000 0.000 0.281 552 W C 0.578 176.959 176.519 -0.229 0.000 1.219 552 W CA 1.197 58.332 57.345 -0.349 0.000 1.220 552 W CB -0.292 28.930 29.460 -0.398 0.000 1.127 552 W HN -0.325 nan 8.180 nan 0.000 0.556 553 V N 4.012 123.968 119.914 0.070 0.000 2.405 553 V HA -0.013 4.107 4.120 -0.000 0.000 0.264 553 V C -0.896 175.244 176.094 0.076 0.000 1.048 553 V CA -0.902 61.449 62.300 0.085 0.000 0.966 553 V CB 0.592 32.461 31.823 0.078 0.000 1.015 553 V HN -0.060 nan 8.190 nan 0.000 0.477 554 P HA -0.072 nan 4.420 nan 0.000 0.236 554 P C 0.227 177.565 177.300 0.063 0.000 1.172 554 P CA 0.926 64.027 63.100 0.001 0.000 0.759 554 P CB 0.546 32.233 31.700 -0.020 0.000 0.843 555 D N -1.999 118.471 120.400 0.118 0.000 2.615 555 D HA -0.020 4.620 4.640 -0.000 0.000 0.259 555 D C 0.554 176.952 176.300 0.164 0.000 0.999 555 D CA -0.194 53.873 54.000 0.111 0.000 0.938 555 D CB -0.945 39.911 40.800 0.095 0.000 1.121 555 D HN 0.046 nan 8.370 nan 0.000 0.487 556 W N 5.298 126.610 121.300 0.021 0.000 2.528 556 W HA -0.219 4.441 4.660 -0.000 0.000 0.312 556 W C 0.801 177.337 176.519 0.029 0.000 0.744 556 W CA 0.236 57.599 57.345 0.029 0.000 0.741 556 W CB -0.041 29.447 29.460 0.047 0.000 0.969 556 W HN 0.112 nan 8.180 nan 0.000 0.500 557 D N 4.429 124.612 120.400 -0.363 0.000 2.371 557 D HA 0.029 4.669 4.640 -0.000 0.000 0.234 557 D C 1.553 177.346 176.300 -0.846 0.000 1.049 557 D CA 0.697 54.432 54.000 -0.442 0.000 0.907 557 D CB -0.727 39.943 40.800 -0.217 0.000 0.891 557 D HN 0.984 nan 8.370 nan 0.000 0.531 558 G N -0.089 107.537 108.800 -1.957 0.000 2.273 558 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.280 558 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.280 558 G C -0.064 174.152 174.900 -1.139 0.000 1.047 558 G CA 0.252 44.010 45.100 -2.237 0.000 0.869 558 G HN 0.396 nan 8.290 nan 0.000 0.502 559 V N 1.650 121.116 119.914 -0.746 0.000 2.340 559 V HA 0.352 4.472 4.120 -0.000 0.000 0.277 559 V C 0.830 177.181 176.094 0.428 0.000 1.017 559 V CA -0.978 61.313 62.300 -0.015 0.000 0.820 559 V CB 1.253 33.051 31.823 -0.042 0.000 1.028 559 V HN 0.387 nan 8.190 nan 0.000 0.436 560 I N 8.016 128.861 120.570 0.457 0.000 2.741 560 I HA 0.111 4.281 4.170 -0.000 0.000 0.288 560 I C -1.524 174.775 176.117 0.304 0.000 1.192 560 I CA -0.684 60.840 61.300 0.373 0.000 1.426 560 I CB 0.557 38.716 38.000 0.265 0.000 1.367 560 I HN 0.412 nan 8.210 nan 0.000 0.563 561 P HA 0.176 nan 4.420 nan 0.000 0.286 561 P C -0.690 176.863 177.300 0.422 0.000 1.261 561 P CA -0.519 62.755 63.100 0.291 0.000 0.821 561 P CB 0.770 32.615 31.700 0.242 0.000 1.013 562 T N 3.147 117.859 114.554 0.264 0.000 2.905 562 T HA 0.110 4.459 4.350 -0.000 0.000 0.299 562 T C -2.088 172.633 174.700 0.035 0.000 1.024 562 T CA -0.647 61.555 62.100 0.170 0.000 1.151 562 T CB -1.071 67.837 68.868 0.067 0.000 0.987 562 T HN 0.349 nan 8.240 nan 0.000 0.535 563 P HA 0.187 nan 4.420 nan 0.000 0.267 563 P C 0.472 177.513 177.300 -0.431 0.000 1.200 563 P CA -0.262 62.221 63.100 -1.029 0.000 0.772 563 P CB 0.362 31.246 31.700 -1.361 0.000 0.855 564 A N 3.103 125.725 122.820 -0.330 0.000 2.016 564 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 564 A C 0.945 178.466 177.584 -0.106 0.000 1.162 564 A CA 1.058 53.017 52.037 -0.129 0.000 0.662 564 A CB -0.496 18.471 19.000 -0.056 0.000 0.812 564 A HN 0.520 nan 8.150 nan 0.000 0.450 565 I N 0.536 121.011 120.570 -0.159 0.000 2.420 565 I HA 0.264 4.433 4.170 -0.000 0.000 0.282 565 I C 0.344 176.353 176.117 -0.179 0.000 1.019 565 I CA -0.248 60.990 61.300 -0.104 0.000 1.130 565 I CB 1.642 39.637 38.000 -0.008 0.000 1.262 565 I HN 0.205 nan 8.210 nan 0.000 0.454 566 I N 5.371 125.860 120.570 -0.136 0.000 2.556 566 I HA -0.114 4.056 4.170 -0.000 0.000 0.251 566 I C 2.032 178.100 176.117 -0.083 0.000 1.105 566 I CA 0.215 61.438 61.300 -0.128 0.000 1.436 566 I CB -0.375 37.570 38.000 -0.092 0.000 1.139 566 I HN 0.572 nan 8.210 nan 0.000 0.438 567 K N 2.563 122.926 120.400 -0.061 0.000 2.606 567 K HA -0.232 4.088 4.320 -0.000 0.000 0.209 567 K C -0.804 175.773 176.600 -0.039 0.000 0.667 567 K CA 1.739 57.999 56.287 -0.044 0.000 0.844 567 K CB -2.775 29.700 32.500 -0.042 0.000 0.260 567 K HN 0.113 nan 8.250 nan 0.000 1.063 568 P HA -0.159 nan 4.420 nan 0.000 0.212 568 P C -0.026 177.260 177.300 -0.023 0.000 1.180 568 P CA 1.473 64.556 63.100 -0.029 0.000 0.906 568 P CB 0.050 31.731 31.700 -0.031 0.000 0.782 569 K N 0.739 121.122 120.400 -0.028 0.000 2.244 569 K HA 0.327 4.647 4.320 -0.000 0.000 0.260 569 K C -2.524 174.052 176.600 -0.040 0.000 0.951 569 K CA -2.650 53.631 56.287 -0.010 0.000 0.826 569 K CB 1.917 34.422 32.500 0.008 0.000 1.108 569 K HN -0.058 nan 8.250 nan 0.000 0.433 570 P HA 0.085 nan 4.420 nan 0.000 0.273 570 P C -1.125 176.047 177.300 -0.214 0.000 1.319 570 P CA -0.336 62.639 63.100 -0.209 0.000 0.885 570 P CB 0.466 32.066 31.700 -0.166 0.000 1.015 571 L N 4.677 125.771 121.223 -0.215 0.000 2.334 571 L HA 0.567 4.907 4.340 -0.000 0.000 0.273 571 L C 0.064 176.893 176.870 -0.069 0.000 1.013 571 L CA -0.385 54.492 54.840 0.061 0.000 0.816 571 L CB 1.284 43.485 42.059 0.238 0.000 1.278 571 L HN 0.381 nan 8.230 nan 0.000 0.431 572 W N 0.849 122.233 121.300 0.140 0.000 2.706 572 W HA 0.583 5.243 4.660 -0.000 0.000 0.346 572 W C -0.205 176.277 176.519 -0.062 0.000 1.071 572 W CA -0.729 56.642 57.345 0.044 0.000 1.206 572 W CB 2.284 31.759 29.460 0.025 0.000 1.413 572 W HN 0.502 nan 8.180 nan 0.000 0.542 573 S N -0.353 115.355 115.700 0.012 0.000 2.549 573 S HA 0.474 4.944 4.470 -0.000 0.000 0.297 573 S C 0.910 175.403 174.600 -0.179 0.000 1.115 573 S CA -0.080 57.952 58.200 -0.279 0.000 1.059 573 S CB 1.811 64.747 63.200 -0.440 0.000 1.046 573 S HN 0.654 nan 8.310 nan 0.000 0.506 574 G N 2.231 110.870 108.800 -0.269 0.000 2.529 574 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 574 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 574 G C 1.252 176.011 174.900 -0.236 0.000 1.177 574 G CA 0.983 45.894 45.100 -0.315 0.000 0.773 574 G HN 0.803 nan 8.290 nan 0.000 0.573 575 K N 0.066 120.339 120.400 -0.211 0.000 2.089 575 K HA -0.219 4.101 4.320 -0.000 0.000 0.210 575 K C 2.629 179.167 176.600 -0.103 0.000 1.048 575 K CA 1.666 57.862 56.287 -0.151 0.000 0.926 575 K CB -0.299 32.123 32.500 -0.130 0.000 0.714 575 K HN 0.451 nan 8.250 nan 0.000 0.448 576 Q N 0.528 120.284 119.800 -0.073 0.000 1.948 576 Q HA -0.175 4.165 4.340 -0.000 0.000 0.205 576 Q C 2.387 178.385 176.000 -0.004 0.000 0.992 576 Q CA 2.030 57.830 55.803 -0.004 0.000 0.849 576 Q CB -0.320 28.466 28.738 0.081 0.000 0.918 576 Q HN 0.516 nan 8.270 nan 0.000 0.421 577 I N -1.367 119.190 120.570 -0.022 0.000 2.394 577 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 577 I C 2.242 178.315 176.117 -0.073 0.000 1.136 577 I CA 0.799 62.065 61.300 -0.057 0.000 1.425 577 I CB -0.366 37.573 38.000 -0.103 0.000 1.079 577 I HN 0.139 nan 8.210 nan 0.000 0.425 578 L N 1.552 122.715 121.223 -0.099 0.000 2.127 578 L HA -0.152 4.187 4.340 -0.000 0.000 0.211 578 L C 2.235 179.065 176.870 -0.067 0.000 1.089 578 L CA 1.895 56.674 54.840 -0.101 0.000 0.757 578 L CB -0.706 41.271 42.059 -0.137 0.000 0.899 578 L HN 0.260 nan 8.230 nan 0.000 0.434 579 S N -1.348 114.319 115.700 -0.053 0.000 2.603 579 S HA -0.008 4.461 4.470 -0.000 0.000 0.229 579 S C 1.711 176.311 174.600 -0.001 0.000 0.972 579 S CA 0.779 58.960 58.200 -0.032 0.000 0.935 579 S CB -0.250 62.933 63.200 -0.028 0.000 0.769 579 S HN 0.363 nan 8.310 nan 0.000 0.536 580 V N 1.070 120.986 119.914 0.003 0.000 3.129 580 V HA 0.034 4.154 4.120 -0.000 0.000 0.259 580 V C 2.340 178.462 176.094 0.047 0.000 1.116 580 V CA 1.297 63.623 62.300 0.043 0.000 1.127 580 V CB -0.810 31.027 31.823 0.024 0.000 0.742 580 V HN 0.541 nan 8.190 nan 0.000 0.474 581 A N -0.140 122.688 122.820 0.013 0.000 1.984 581 A HA 0.234 4.554 4.320 -0.000 0.000 0.214 581 A C 1.169 178.758 177.584 0.007 0.000 1.173 581 A CA 0.301 52.347 52.037 0.015 0.000 0.673 581 A CB -0.172 18.823 19.000 -0.007 0.000 0.830 581 A HN 0.467 nan 8.150 nan 0.000 0.453 582 I N 3.004 123.569 120.570 -0.008 0.000 2.436 582 I HA 0.131 4.301 4.170 -0.000 0.000 0.289 582 I C -1.725 174.395 176.117 0.006 0.000 1.083 582 I CA -1.912 59.380 61.300 -0.013 0.000 1.372 582 I CB 0.646 38.628 38.000 -0.031 0.000 1.408 582 I HN 0.200 nan 8.210 nan 0.000 0.516 583 P HA -0.052 nan 4.420 nan 0.000 0.278 583 P C -0.739 176.573 177.300 0.021 0.000 1.268 583 P CA -0.050 63.065 63.100 0.024 0.000 0.813 583 P CB 0.480 32.196 31.700 0.026 0.000 1.180 584 N N -1.657 117.058 118.700 0.025 0.000 2.489 584 N HA 0.340 5.080 4.740 -0.000 0.000 0.284 584 N C 1.391 176.919 175.510 0.030 0.000 1.158 584 N CA 0.403 53.467 53.050 0.023 0.000 0.965 584 N CB 0.546 39.046 38.487 0.022 0.000 1.195 584 N HN 0.788 nan 8.380 nan 0.000 0.506 585 G N 0.001 108.820 108.800 0.033 0.000 2.284 585 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.261 585 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.261 585 G C 0.165 175.112 174.900 0.079 0.000 0.997 585 G CA -0.179 44.954 45.100 0.056 0.000 0.621 585 G HN 0.521 nan 8.290 nan 0.000 0.534 586 I N 2.314 122.916 120.570 0.053 0.000 2.671 586 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 586 I C 0.522 176.690 176.117 0.084 0.000 1.148 586 I CA 0.227 61.561 61.300 0.058 0.000 1.386 586 I CB -0.037 37.976 38.000 0.023 0.000 1.406 586 I HN 0.221 nan 8.210 nan 0.000 0.540 587 H N 7.718 126.790 119.070 0.003 0.000 2.489 587 H HA 0.663 5.219 4.556 -0.000 0.000 0.343 587 H C -1.560 173.764 175.328 -0.006 0.000 1.086 587 H CA -0.845 55.205 56.048 0.003 0.000 1.198 587 H CB 1.951 31.724 29.762 0.020 0.000 1.490 587 H HN 0.469 nan 8.280 nan 0.000 0.504 588 L N 3.853 125.277 121.223 0.334 0.000 2.505 588 L HA 0.402 4.742 4.340 -0.000 0.000 0.259 588 L C -1.556 175.397 176.870 0.139 0.000 0.952 588 L CA -0.290 54.659 54.840 0.182 0.000 0.840 588 L CB 2.195 44.282 42.059 0.046 0.000 1.358 588 L HN 0.727 nan 8.230 nan 0.000 0.409 589 Q N 3.183 123.058 119.800 0.125 0.000 2.359 589 Q HA 0.535 4.875 4.340 -0.000 0.000 0.274 589 Q C -0.844 175.242 176.000 0.144 0.000 1.074 589 Q CA -0.487 55.396 55.803 0.132 0.000 0.810 589 Q CB 2.676 31.557 28.738 0.237 0.000 1.342 589 Q HN 0.811 nan 8.270 nan 0.000 0.427 590 R N 1.639 122.243 120.500 0.173 0.000 3.255 590 R HA 0.407 4.747 4.340 -0.000 0.000 0.151 590 R C -1.008 175.562 176.300 0.451 0.000 1.600 590 R CA 0.314 56.540 56.100 0.210 0.000 1.255 590 R CB 0.775 31.112 30.300 0.062 0.000 1.317 590 R HN 0.604 nan 8.270 nan 0.000 0.467 591 F N 1.621 121.604 119.950 0.054 0.000 2.201 591 F HA -0.209 4.318 4.527 -0.000 0.000 0.511 591 F C -0.050 175.781 175.800 0.051 0.000 1.272 591 F CA 0.216 58.264 58.000 0.079 0.000 1.637 591 F CB -0.979 38.066 39.000 0.076 0.000 2.599 591 F HN 0.359 nan 8.300 nan 0.000 0.730 592 D N 1.679 122.168 120.400 0.148 0.000 2.089 592 D HA 0.002 4.642 4.640 -0.000 0.000 0.246 592 D C 1.527 177.896 176.300 0.114 0.000 1.015 592 D CA 1.448 55.510 54.000 0.104 0.000 0.917 592 D CB 0.159 40.993 40.800 0.056 0.000 1.015 592 D HN 0.683 nan 8.370 nan 0.000 0.425 593 E N -0.424 119.829 120.200 0.088 0.000 2.513 593 E HA 0.254 4.604 4.350 -0.000 0.000 0.225 593 E C 1.235 177.893 176.600 0.096 0.000 1.019 593 E CA 0.011 56.461 56.400 0.083 0.000 1.041 593 E CB -0.087 29.644 29.700 0.052 0.000 2.093 593 E HN 0.164 nan 8.360 nan 0.000 0.551 594 G N 1.754 110.592 108.800 0.063 0.000 3.392 594 G HA2 0.062 4.022 3.960 -0.000 0.000 0.247 594 G HA3 0.062 4.022 3.960 -0.000 0.000 0.247 594 G C -0.422 174.501 174.900 0.039 0.000 1.161 594 G CA -0.000 45.132 45.100 0.054 0.000 1.739 594 G HN 0.024 nan 8.290 nan 0.000 0.619 595 T N 0.774 115.368 114.554 0.066 0.000 2.856 595 T HA 0.488 4.838 4.350 -0.000 0.000 0.292 595 T C 0.594 175.277 174.700 -0.027 0.000 0.980 595 T CA -0.034 62.035 62.100 -0.051 0.000 1.091 595 T CB 1.435 70.212 68.868 -0.153 0.000 0.936 595 T HN 0.349 nan 8.240 nan 0.000 0.503 596 T N 0.103 114.559 114.554 -0.164 0.000 3.751 596 T HA 0.288 4.638 4.350 -0.000 0.000 0.240 596 T C 0.313 174.924 174.700 -0.149 0.000 1.004 596 T CA -0.902 61.177 62.100 -0.036 0.000 1.645 596 T CB -0.784 68.081 68.868 -0.005 0.000 0.763 596 T HN 0.381 nan 8.240 nan 0.000 0.625 597 L N 0.053 121.163 121.223 -0.189 0.000 4.191 597 L HA -0.185 4.155 4.340 -0.000 0.000 0.469 597 L C 0.786 177.400 176.870 -0.425 0.000 1.062 597 L CA 1.612 56.329 54.840 -0.205 0.000 0.969 597 L CB -1.937 40.149 42.059 0.045 0.000 1.839 597 L HN 0.789 nan 8.230 nan 0.000 1.079 598 L N -1.480 119.384 121.223 -0.597 0.000 4.139 598 L HA 0.145 4.485 4.340 -0.000 0.000 0.423 598 L C 0.742 177.352 176.870 -0.434 0.000 1.195 598 L CA 0.479 55.025 54.840 -0.489 0.000 1.417 598 L CB 0.072 41.989 42.059 -0.236 0.000 1.440 598 L HN 0.216 nan 8.230 nan 0.000 0.581 599 S N 0.594 115.962 115.700 -0.552 0.000 4.357 599 S HA -0.072 4.398 4.470 -0.000 0.000 0.524 599 S C -0.950 173.555 174.600 -0.158 0.000 1.014 599 S CA 0.024 58.059 58.200 -0.275 0.000 1.149 599 S CB -0.380 62.737 63.200 -0.139 0.000 0.837 599 S HN 0.510 nan 8.310 nan 0.000 0.497 600 P HA -0.111 nan 4.420 nan 0.000 0.216 600 P C 0.720 178.003 177.300 -0.028 0.000 1.153 600 P CA 1.205 64.271 63.100 -0.057 0.000 0.844 600 P CB 0.044 31.721 31.700 -0.038 0.000 0.787 601 K N -0.366 120.025 120.400 -0.016 0.000 2.551 601 K HA -0.009 4.311 4.320 -0.000 0.000 0.192 601 K C 0.028 176.636 176.600 0.013 0.000 1.027 601 K CA 0.118 56.407 56.287 0.003 0.000 1.059 601 K CB -0.695 31.811 32.500 0.009 0.000 0.831 601 K HN -0.019 nan 8.250 nan 0.000 0.508 602 D N 1.315 121.723 120.400 0.015 0.000 2.927 602 D HA -0.149 4.491 4.640 -0.000 0.000 0.236 602 D C -0.791 175.545 176.300 0.060 0.000 1.163 602 D CA 0.498 54.530 54.000 0.053 0.000 0.801 602 D CB -0.976 39.844 40.800 0.032 0.000 0.975 602 D HN 0.188 nan 8.370 nan 0.000 0.413 603 N N -0.331 118.416 118.700 0.079 0.000 2.823 603 N HA 0.755 5.494 4.740 -0.000 0.000 0.324 603 N C 1.431 176.968 175.510 0.045 0.000 1.336 603 N CA 0.219 53.299 53.050 0.050 0.000 0.861 603 N CB -0.151 38.355 38.487 0.031 0.000 1.157 603 N HN 0.360 nan 8.380 nan 0.000 0.585 604 G N 0.492 109.296 108.800 0.006 0.000 2.627 604 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.400 604 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.400 604 G C -0.157 174.666 174.900 -0.128 0.000 1.334 604 G CA 1.561 46.639 45.100 -0.035 0.000 0.960 604 G HN 0.701 nan 8.290 nan 0.000 0.533 605 M N -2.049 117.384 119.600 -0.278 0.000 2.447 605 M HA 0.605 5.085 4.480 -0.000 0.000 0.292 605 M C -2.235 173.728 176.300 -0.561 0.000 1.083 605 M CA -0.516 54.521 55.300 -0.438 0.000 0.907 605 M CB 1.608 34.079 32.600 -0.216 0.000 1.829 605 M HN 1.444 nan 8.290 nan 0.000 0.518 606 L N 6.023 126.750 121.223 -0.826 0.000 2.491 606 L HA 0.816 5.156 4.340 -0.000 0.000 0.267 606 L C -2.126 174.520 176.870 -0.375 0.000 0.971 606 L CA -0.091 54.413 54.840 -0.559 0.000 0.857 606 L CB 1.524 43.166 42.059 -0.695 0.000 1.226 606 L HN 0.772 nan 8.230 nan 0.000 0.408 607 I N 6.026 126.463 120.570 -0.222 0.000 2.433 607 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 607 I C -0.656 175.316 176.117 -0.243 0.000 1.001 607 I CA -0.545 60.646 61.300 -0.182 0.000 1.119 607 I CB 1.904 39.830 38.000 -0.123 0.000 1.289 607 I HN 0.510 nan 8.210 nan 0.000 0.438 608 I N 4.645 125.077 120.570 -0.231 0.000 2.608 608 I HA 0.252 4.422 4.170 -0.000 0.000 0.295 608 I C 0.290 176.304 176.117 -0.172 0.000 1.049 608 I CA -0.372 60.728 61.300 -0.333 0.000 1.063 608 I CB 1.834 39.666 38.000 -0.280 0.000 1.248 608 I HN 0.666 nan 8.210 nan 0.000 0.424 609 D N 4.077 124.391 120.400 -0.144 0.000 3.068 609 D HA -0.227 4.412 4.640 -0.000 0.000 0.219 609 D C 0.866 177.151 176.300 -0.025 0.000 1.175 609 D CA 1.986 55.961 54.000 -0.041 0.000 0.942 609 D CB -0.666 40.123 40.800 -0.019 0.000 1.127 609 D HN 1.202 nan 8.370 nan 0.000 0.404 610 G N -1.448 107.324 108.800 -0.046 0.000 2.131 610 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.201 610 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.201 610 G C -0.383 174.497 174.900 -0.034 0.000 1.000 610 G CA 0.232 45.315 45.100 -0.028 0.000 0.680 610 G HN 0.465 nan 8.290 nan 0.000 0.514 611 Q N -0.066 119.703 119.800 -0.052 0.000 2.321 611 Q HA 0.512 4.852 4.340 -0.000 0.000 0.270 611 Q C 0.389 176.348 176.000 -0.069 0.000 1.032 611 Q CA -0.801 54.975 55.803 -0.044 0.000 0.784 611 Q CB 1.866 30.590 28.738 -0.023 0.000 1.264 611 Q HN 0.436 nan 8.270 nan 0.000 0.448 612 I N 3.541 124.069 120.570 -0.071 0.000 2.664 612 I HA -0.072 4.098 4.170 -0.000 0.000 0.284 612 I C 1.243 177.316 176.117 -0.072 0.000 1.154 612 I CA 0.443 61.685 61.300 -0.096 0.000 1.402 612 I CB 0.406 38.346 38.000 -0.098 0.000 1.395 612 I HN 0.623 nan 8.210 nan 0.000 0.545 613 I N 7.047 127.564 120.570 -0.088 0.000 2.927 613 I HA 0.077 4.247 4.170 -0.000 0.000 0.268 613 I C -0.060 176.138 176.117 0.135 0.000 1.153 613 I CA 0.468 61.776 61.300 0.015 0.000 1.459 613 I CB 0.381 38.416 38.000 0.058 0.000 1.149 613 I HN 0.546 nan 8.210 nan 0.000 0.443 614 F N -0.166 119.742 119.950 -0.070 0.000 2.725 614 F HA 0.660 5.187 4.527 -0.000 0.000 0.311 614 F C -0.672 175.075 175.800 -0.087 0.000 1.121 614 F CA -0.842 57.111 58.000 -0.078 0.000 0.978 614 F CB 0.359 39.312 39.000 -0.079 0.000 1.274 614 F HN -0.033 nan 8.300 nan 0.000 0.440 615 G N 1.573 110.460 108.800 0.145 0.000 2.906 615 G HA2 0.317 4.277 3.960 -0.000 0.000 0.686 615 G HA3 0.317 4.277 3.960 -0.000 0.000 0.686 615 G C -1.341 173.532 174.900 -0.046 0.000 1.170 615 G CA -0.661 44.459 45.100 0.034 0.000 0.775 615 G HN 1.353 nan 8.290 nan 0.000 0.630 616 V N 1.472 121.367 119.914 -0.032 0.000 2.872 616 V HA 0.352 4.471 4.120 -0.000 0.000 0.307 616 V C 1.236 177.285 176.094 -0.075 0.000 1.072 616 V CA -0.353 61.913 62.300 -0.057 0.000 1.148 616 V CB 1.465 33.262 31.823 -0.043 0.000 0.954 616 V HN 0.878 nan 8.190 nan 0.000 0.490 617 V N 4.768 124.627 119.914 -0.091 0.000 2.394 617 V HA 0.647 4.767 4.120 -0.000 0.000 0.282 617 V C -0.069 175.977 176.094 -0.080 0.000 1.031 617 V CA -0.176 62.068 62.300 -0.092 0.000 0.881 617 V CB 1.068 32.825 31.823 -0.109 0.000 0.982 617 V HN 1.200 nan 8.190 nan 0.000 0.451 618 E N 2.607 122.769 120.200 -0.063 0.000 2.425 618 E HA 0.346 4.696 4.350 -0.000 0.000 0.272 618 E C 0.588 177.166 176.600 -0.037 0.000 1.061 618 E CA -0.878 55.492 56.400 -0.050 0.000 0.877 618 E CB 0.609 30.285 29.700 -0.041 0.000 1.590 618 E HN 0.138 nan 8.360 nan 0.000 0.462 619 K N 0.171 120.556 120.400 -0.025 0.000 2.206 619 K HA -0.329 3.990 4.320 -0.000 0.000 0.211 619 K C 0.937 177.530 176.600 -0.013 0.000 1.047 619 K CA 2.441 58.720 56.287 -0.014 0.000 0.933 619 K CB -0.232 32.267 32.500 -0.002 0.000 0.721 619 K HN 0.438 nan 8.250 nan 0.000 0.471 620 K N -1.056 119.337 120.400 -0.013 0.000 2.459 620 K HA 0.016 4.336 4.320 -0.000 0.000 0.193 620 K C 1.339 177.932 176.600 -0.013 0.000 1.030 620 K CA 1.185 57.468 56.287 -0.007 0.000 1.026 620 K CB 0.477 32.976 32.500 -0.003 0.000 0.809 620 K HN 0.184 nan 8.250 nan 0.000 0.504 621 T N -0.955 113.582 114.554 -0.028 0.000 3.026 621 T HA 0.032 4.382 4.350 -0.000 0.000 0.245 621 T C 1.345 176.015 174.700 -0.050 0.000 1.004 621 T CA 0.007 62.084 62.100 -0.040 0.000 1.069 621 T CB 0.468 69.300 68.868 -0.060 0.000 1.005 621 T HN 0.001 nan 8.240 nan 0.000 0.472 622 V N 1.589 121.467 119.914 -0.059 0.000 3.380 622 V HA 0.532 4.652 4.120 -0.000 0.000 0.307 622 V C 0.932 176.984 176.094 -0.070 0.000 1.434 622 V CA 0.014 62.263 62.300 -0.086 0.000 1.075 622 V CB -0.174 31.589 31.823 -0.100 0.000 0.954 622 V HN 0.475 nan 8.190 nan 0.000 0.444 623 G N 0.194 108.974 108.800 -0.035 0.000 2.525 623 G HA2 0.282 4.242 3.960 -0.000 0.000 0.287 623 G HA3 0.282 4.242 3.960 -0.000 0.000 0.287 623 G C 0.737 175.637 174.900 -0.000 0.000 1.350 623 G CA 0.393 45.486 45.100 -0.011 0.000 1.039 623 G HN 0.608 nan 8.290 nan 0.000 0.513 624 S N -0.752 114.957 115.700 0.014 0.000 2.859 624 S HA 0.223 4.693 4.470 -0.000 0.000 0.245 624 S C 0.966 175.559 174.600 -0.011 0.000 1.008 624 S CA 0.167 58.373 58.200 0.010 0.000 1.089 624 S CB -0.989 62.218 63.200 0.012 0.000 0.798 624 S HN 0.902 nan 8.310 nan 0.000 0.477 625 S N 0.861 116.560 115.700 -0.002 0.000 2.603 625 S HA 0.255 4.725 4.470 -0.000 0.000 0.268 625 S C 1.141 175.746 174.600 0.010 0.000 1.317 625 S CA -0.665 57.537 58.200 0.003 0.000 1.012 625 S CB 0.595 63.801 63.200 0.010 0.000 0.926 625 S HN 0.406 nan 8.310 nan 0.000 0.539 626 N N 2.014 120.728 118.700 0.023 0.000 2.006 626 N HA -0.111 4.628 4.740 -0.000 0.000 0.196 626 N C 1.648 177.286 175.510 0.214 0.000 1.057 626 N CA 1.930 55.020 53.050 0.067 0.000 0.853 626 N CB -1.095 37.430 38.487 0.063 0.000 1.051 626 N HN 0.877 nan 8.380 nan 0.000 0.423 627 G N -0.052 108.831 108.800 0.139 0.000 3.124 627 G HA2 0.192 4.152 3.960 -0.000 0.000 0.212 627 G HA3 0.192 4.152 3.960 -0.000 0.000 0.212 627 G C 0.638 175.596 174.900 0.097 0.000 1.181 627 G CA 0.235 45.410 45.100 0.125 0.000 0.803 627 G HN 0.474 nan 8.290 nan 0.000 0.529 628 G N -0.259 108.605 108.800 0.106 0.000 2.583 628 G HA2 0.042 4.002 3.960 -0.000 0.000 0.230 628 G HA3 0.042 4.002 3.960 -0.000 0.000 0.230 628 G C 1.118 176.044 174.900 0.043 0.000 1.249 628 G CA -0.499 44.637 45.100 0.060 0.000 0.857 628 G HN 0.189 nan 8.290 nan 0.000 0.569 629 L N 1.553 122.771 121.223 -0.008 0.000 2.051 629 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 629 L C 2.778 179.633 176.870 -0.024 0.000 1.076 629 L CA 1.618 56.439 54.840 -0.031 0.000 0.758 629 L CB -0.270 41.745 42.059 -0.073 0.000 0.890 629 L HN 0.671 nan 8.230 nan 0.000 0.433 630 I N -1.056 119.491 120.570 -0.037 0.000 2.179 630 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 630 I C 2.512 178.690 176.117 0.102 0.000 1.088 630 I CA 1.203 62.492 61.300 -0.020 0.000 1.357 630 I CB -0.382 37.581 38.000 -0.061 0.000 1.051 630 I HN 0.355 nan 8.210 nan 0.000 0.409 631 H N 0.268 119.336 119.070 -0.004 0.000 2.457 631 H HA -0.104 4.452 4.556 -0.000 0.000 0.297 631 H C 1.914 177.249 175.328 0.012 0.000 1.092 631 H CA 1.545 57.599 56.048 0.009 0.000 1.309 631 H CB -0.057 29.710 29.762 0.010 0.000 1.382 631 H HN 0.118 nan 8.280 nan 0.000 0.535 632 V N -0.916 119.016 119.914 0.030 0.000 2.374 632 V HA -0.133 3.987 4.120 -0.000 0.000 0.241 632 V C 2.676 178.771 176.094 0.001 0.000 1.034 632 V CA 1.131 63.408 62.300 -0.039 0.000 1.037 632 V CB -0.543 31.268 31.823 -0.019 0.000 0.682 632 V HN 0.232 nan 8.190 nan 0.000 0.463 633 V N 0.267 120.191 119.914 0.017 0.000 2.282 633 V HA -0.317 3.802 4.120 -0.000 0.000 0.249 633 V C 2.584 178.705 176.094 0.045 0.000 1.057 633 V CA 2.749 65.064 62.300 0.025 0.000 1.032 633 V CB -1.378 30.452 31.823 0.011 0.000 0.645 633 V HN 0.599 nan 8.190 nan 0.000 0.447 634 T N -0.312 114.283 114.554 0.069 0.000 2.635 634 T HA -0.218 4.132 4.350 -0.000 0.000 0.267 634 T C 2.147 176.884 174.700 0.061 0.000 1.040 634 T CA 1.558 63.708 62.100 0.083 0.000 1.156 634 T CB -0.285 68.651 68.868 0.115 0.000 0.863 634 T HN 0.289 nan 8.240 nan 0.000 0.430 635 R N 0.674 121.202 120.500 0.046 0.000 2.073 635 R HA -0.013 4.327 4.340 -0.000 0.000 0.234 635 R C 2.392 178.707 176.300 0.025 0.000 1.134 635 R CA 1.347 57.463 56.100 0.027 0.000 0.952 635 R CB -0.471 29.807 30.300 -0.036 0.000 0.850 635 R HN 0.407 nan 8.270 nan 0.000 0.433 636 E N 0.078 120.289 120.200 0.018 0.000 2.299 636 E HA -0.039 4.311 4.350 -0.000 0.000 0.193 636 E C 1.040 177.662 176.600 0.037 0.000 0.998 636 E CA 0.877 57.293 56.400 0.026 0.000 0.851 636 E CB 0.380 30.097 29.700 0.027 0.000 0.795 636 E HN -0.022 nan 8.360 nan 0.000 0.492 637 K N -1.114 119.310 120.400 0.039 0.000 2.450 637 K HA 0.328 4.648 4.320 -0.000 0.000 0.206 637 K C 0.049 176.674 176.600 0.043 0.000 1.148 637 K CA 0.631 56.943 56.287 0.041 0.000 1.014 637 K CB 1.672 34.197 32.500 0.041 0.000 0.966 637 K HN 0.115 nan 8.250 nan 0.000 0.566 638 G N 2.583 111.411 108.800 0.046 0.000 2.640 638 G HA2 -0.114 3.845 3.960 -0.000 0.000 0.686 638 G HA3 -0.114 3.845 3.960 -0.000 0.000 0.686 638 G C -2.385 172.544 174.900 0.048 0.000 1.229 638 G CA -0.571 44.556 45.100 0.045 0.000 0.796 638 G HN -0.198 nan 8.290 nan 0.000 0.654 639 P HA -0.139 nan 4.420 nan 0.000 0.225 639 P C 1.252 178.575 177.300 0.038 0.000 1.148 639 P CA 1.211 64.332 63.100 0.036 0.000 0.779 639 P CB 0.268 31.975 31.700 0.012 0.000 0.780 640 Q N 0.193 120.014 119.800 0.035 0.000 1.946 640 Q HA -0.057 4.282 4.340 -0.000 0.000 0.199 640 Q C 2.489 178.519 176.000 0.051 0.000 0.979 640 Q CA 0.894 56.717 55.803 0.034 0.000 0.834 640 Q CB -1.615 27.139 28.738 0.027 0.000 0.899 640 Q HN 0.104 nan 8.270 nan 0.000 0.431 641 V N 1.012 120.957 119.914 0.052 0.000 2.317 641 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 641 V C 2.573 178.717 176.094 0.084 0.000 1.065 641 V CA 2.001 64.337 62.300 0.060 0.000 1.049 641 V CB -0.556 31.297 31.823 0.050 0.000 0.651 641 V HN 0.568 nan 8.190 nan 0.000 0.450 642 C N -0.078 119.282 119.300 0.101 0.000 2.425 642 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 642 C C 2.985 178.147 174.990 0.287 0.000 1.280 642 C CA 0.801 59.913 59.018 0.157 0.000 1.744 642 C CB -1.296 26.545 27.740 0.169 0.000 1.989 642 C HN 0.610 nan 8.230 nan 0.000 0.491 643 A N -0.376 122.566 122.820 0.203 0.000 2.015 643 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 643 A C 2.251 179.955 177.584 0.198 0.000 1.163 643 A CA 1.767 53.904 52.037 0.167 0.000 0.646 643 A CB -0.613 18.398 19.000 0.018 0.000 0.806 643 A HN 0.748 nan 8.150 nan 0.000 0.448 644 K N -0.860 119.631 120.400 0.153 0.000 2.418 644 K HA 0.080 4.400 4.320 -0.000 0.000 0.195 644 K C 1.586 178.275 176.600 0.147 0.000 1.035 644 K CA 0.316 56.680 56.287 0.127 0.000 1.003 644 K CB -0.104 32.445 32.500 0.083 0.000 0.793 644 K HN 0.362 nan 8.250 nan 0.000 0.494 645 L N 0.359 121.685 121.223 0.172 0.000 2.072 645 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 645 L C 1.408 178.322 176.870 0.073 0.000 1.079 645 L CA 1.610 56.497 54.840 0.078 0.000 0.752 645 L CB -0.449 41.602 42.059 -0.014 0.000 0.906 645 L HN 0.053 nan 8.230 nan 0.000 0.436 646 F N 0.223 120.187 119.950 0.023 0.000 2.126 646 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 646 F C 2.496 178.315 175.800 0.032 0.000 1.096 646 F CA 1.437 59.452 58.000 0.025 0.000 1.255 646 F CB -1.564 37.453 39.000 0.028 0.000 0.997 646 F HN 0.186 nan 8.300 nan 0.000 0.479 647 G N 0.324 109.277 108.800 0.255 0.000 2.545 647 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.217 647 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.217 647 G C 1.692 176.666 174.900 0.124 0.000 1.218 647 G CA 1.334 46.531 45.100 0.162 0.000 0.787 647 G HN 0.268 nan 8.290 nan 0.000 0.571 648 N N 0.932 119.693 118.700 0.102 0.000 2.022 648 N HA -0.080 4.660 4.740 -0.000 0.000 0.194 648 N C 2.352 177.888 175.510 0.044 0.000 1.057 648 N CA 1.252 54.348 53.050 0.077 0.000 0.849 648 N CB -0.707 37.817 38.487 0.061 0.000 1.044 648 N HN 0.353 nan 8.380 nan 0.000 0.424 649 I N 1.672 122.250 120.570 0.013 0.000 2.147 649 I HA -0.390 3.780 4.170 -0.000 0.000 0.245 649 I C 2.549 178.662 176.117 -0.007 0.000 1.059 649 I CA 1.520 62.806 61.300 -0.023 0.000 1.320 649 I CB -0.405 37.551 38.000 -0.073 0.000 1.021 649 I HN 0.273 nan 8.210 nan 0.000 0.415 650 Q N 0.627 120.444 119.800 0.028 0.000 1.967 650 Q HA -0.244 4.095 4.340 -0.000 0.000 0.202 650 Q C 2.331 178.324 176.000 -0.012 0.000 0.985 650 Q CA 1.789 57.611 55.803 0.032 0.000 0.839 650 Q CB -0.102 28.685 28.738 0.082 0.000 0.906 650 Q HN 0.435 nan 8.270 nan 0.000 0.423 651 K N -0.200 120.199 120.400 -0.002 0.000 2.074 651 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 651 K C 2.092 178.576 176.600 -0.192 0.000 1.048 651 K CA 1.637 57.863 56.287 -0.101 0.000 0.926 651 K CB -0.249 32.327 32.500 0.127 0.000 0.713 651 K HN 0.053 nan 8.250 nan 0.000 0.444 652 V N 0.788 120.666 119.914 -0.060 0.000 2.223 652 V HA -0.249 3.871 4.120 -0.000 0.000 0.244 652 V C 2.294 178.399 176.094 0.019 0.000 1.045 652 V CA 1.759 64.037 62.300 -0.037 0.000 1.000 652 V CB -0.442 31.369 31.823 -0.020 0.000 0.635 652 V HN 0.092 nan 8.190 nan 0.000 0.445 653 V N 0.587 120.506 119.914 0.007 0.000 2.332 653 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 653 V C 2.368 178.507 176.094 0.075 0.000 1.055 653 V CA 2.128 64.462 62.300 0.056 0.000 1.038 653 V CB -0.991 30.830 31.823 -0.003 0.000 0.651 653 V HN 0.551 nan 8.190 nan 0.000 0.450 654 N N -0.279 118.412 118.700 -0.016 0.000 2.094 654 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 654 N C 1.666 177.098 175.510 -0.130 0.000 1.023 654 N CA 1.783 54.794 53.050 -0.064 0.000 0.857 654 N CB -0.478 37.945 38.487 -0.107 0.000 1.013 654 N HN 0.536 nan 8.380 nan 0.000 0.426 655 F N 0.177 119.905 119.950 -0.370 0.000 2.031 655 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 655 F C 2.401 177.985 175.800 -0.359 0.000 1.133 655 F CA 1.507 59.204 58.000 -0.505 0.000 1.188 655 F CB -0.921 37.659 39.000 -0.700 0.000 0.974 655 F HN 0.124 nan 8.300 nan 0.000 0.473 656 W N 0.931 122.109 121.300 -0.205 0.000 2.304 656 W HA -0.312 4.348 4.660 -0.000 0.000 0.315 656 W C 2.196 178.563 176.519 -0.253 0.000 1.233 656 W CA 2.344 59.567 57.345 -0.202 0.000 1.261 656 W CB -0.752 28.680 29.460 -0.047 0.000 1.150 656 W HN 0.224 nan 8.180 nan 0.000 0.494 657 L N 0.714 121.934 121.223 -0.006 0.000 2.191 657 L HA -0.135 4.205 4.340 -0.000 0.000 0.212 657 L C 2.261 178.937 176.870 -0.323 0.000 1.103 657 L CA 2.016 56.774 54.840 -0.136 0.000 0.769 657 L CB -1.279 40.815 42.059 0.058 0.000 0.908 657 L HN 0.230 nan 8.230 nan 0.000 0.438 658 L N -1.195 119.763 121.223 -0.442 0.000 2.131 658 L HA -0.180 4.160 4.340 -0.000 0.000 0.210 658 L C 2.158 178.787 176.870 -0.401 0.000 1.092 658 L CA 1.836 56.408 54.840 -0.448 0.000 0.759 658 L CB -0.860 40.837 42.059 -0.603 0.000 0.903 658 L HN 0.389 nan 8.230 nan 0.000 0.435 659 H N -1.840 116.913 119.070 -0.528 0.000 2.547 659 H HA 0.145 4.701 4.556 -0.000 0.000 0.272 659 H C 1.768 176.811 175.328 -0.475 0.000 0.971 659 H CA 0.945 56.707 56.048 -0.478 0.000 1.245 659 H CB -0.209 29.239 29.762 -0.522 0.000 1.440 659 H HN 0.444 nan 8.280 nan 0.000 0.540 660 N N 0.658 119.015 118.700 -0.572 0.000 2.424 660 N HA 0.025 4.765 4.740 -0.000 0.000 0.178 660 N C 0.629 175.989 175.510 -0.251 0.000 1.060 660 N CA 0.818 53.535 53.050 -0.555 0.000 0.901 660 N CB 0.542 38.326 38.487 -1.172 0.000 0.979 660 N HN 0.376 nan 8.380 nan 0.000 0.451 661 G N -0.388 108.295 108.800 -0.195 0.000 2.953 661 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.421 661 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.421 661 G C -0.766 174.203 174.900 0.115 0.000 1.531 661 G CA 0.118 45.189 45.100 -0.048 0.000 0.971 661 G HN 0.451 nan 8.290 nan 0.000 0.558 662 F N 0.168 120.084 119.950 -0.058 0.000 2.704 662 F HA 0.652 5.179 4.527 -0.000 0.000 0.312 662 F C -0.143 175.648 175.800 -0.015 0.000 1.108 662 F CA 0.276 58.262 58.000 -0.023 0.000 1.005 662 F CB 1.331 40.331 39.000 -0.001 0.000 1.277 662 F HN 1.457 nan 8.300 nan 0.000 0.445 663 S N 2.524 117.622 115.700 -1.003 0.000 2.929 663 S HA 0.873 5.343 4.470 -0.000 0.000 0.311 663 S C -1.371 172.790 174.600 -0.731 0.000 1.213 663 S CA 0.220 57.983 58.200 -0.728 0.000 0.908 663 S CB 1.508 64.519 63.200 -0.315 0.000 1.287 663 S HN 1.385 nan 8.310 nan 0.000 0.594 664 T N -0.641 113.697 114.554 -0.360 0.000 3.168 664 T HA 0.582 4.932 4.350 -0.000 0.000 0.373 664 T C -0.811 173.813 174.700 -0.127 0.000 1.681 664 T CA 0.281 62.248 62.100 -0.221 0.000 1.135 664 T CB 0.544 69.298 68.868 -0.189 0.000 1.477 664 T HN 1.558 nan 8.240 nan 0.000 0.480 665 G N 2.247 110.998 108.800 -0.081 0.000 2.660 665 G HA2 0.529 4.489 3.960 -0.000 0.000 0.290 665 G HA3 0.529 4.489 3.960 -0.000 0.000 0.290 665 G C 0.757 175.637 174.900 -0.033 0.000 1.432 665 G CA -0.204 44.863 45.100 -0.055 0.000 0.807 665 G HN 0.971 nan 8.290 nan 0.000 0.485 666 I N 0.036 120.592 120.570 -0.024 0.000 2.285 666 I HA -0.163 4.007 4.170 -0.000 0.000 0.253 666 I C 2.596 178.710 176.117 -0.006 0.000 1.104 666 I CA 1.954 63.247 61.300 -0.011 0.000 1.372 666 I CB -1.343 36.652 38.000 -0.009 0.000 1.057 666 I HN 0.593 nan 8.210 nan 0.000 0.431 667 G N 0.340 109.134 108.800 -0.011 0.000 2.499 667 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.221 667 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.221 667 G C 1.264 176.165 174.900 0.002 0.000 1.109 667 G CA 1.182 46.280 45.100 -0.004 0.000 0.749 667 G HN 0.528 nan 8.290 nan 0.000 0.568 668 D N -0.339 120.060 120.400 -0.001 0.000 2.339 668 D HA -0.001 4.638 4.640 -0.000 0.000 0.217 668 D C 2.247 178.555 176.300 0.014 0.000 1.050 668 D CA 1.140 55.146 54.000 0.009 0.000 0.856 668 D CB 0.266 41.070 40.800 0.006 0.000 0.922 668 D HN 0.493 nan 8.370 nan 0.000 0.518 669 T N -1.351 113.210 114.554 0.011 0.000 3.040 669 T HA 0.182 4.532 4.350 -0.000 0.000 0.250 669 T C 1.151 175.861 174.700 0.016 0.000 1.058 669 T CA -0.324 61.786 62.100 0.016 0.000 0.988 669 T CB -0.017 68.863 68.868 0.021 0.000 0.993 669 T HN 0.097 nan 8.240 nan 0.000 0.519 670 I N 0.524 121.102 120.570 0.014 0.000 2.336 670 I HA 0.816 4.986 4.170 -0.000 0.000 0.292 670 I C 0.027 176.153 176.117 0.015 0.000 0.991 670 I CA -1.625 59.683 61.300 0.014 0.000 1.227 670 I CB 1.216 39.223 38.000 0.012 0.000 1.366 670 I HN -0.027 nan 8.210 nan 0.000 0.466 671 A N 3.993 126.821 122.820 0.014 0.000 2.327 671 A HA 0.259 4.578 4.320 -0.000 0.000 0.283 671 A C -0.141 177.454 177.584 0.017 0.000 1.127 671 A CA -0.440 51.607 52.037 0.017 0.000 0.810 671 A CB 0.522 19.530 19.000 0.015 0.000 1.066 671 A HN 0.880 nan 8.150 nan 0.000 0.492 672 D N 2.239 122.650 120.400 0.020 0.000 2.648 672 D HA 0.163 4.803 4.640 -0.000 0.000 0.229 672 D C 1.609 177.920 176.300 0.018 0.000 1.119 672 D CA 1.565 55.576 54.000 0.019 0.000 0.850 672 D CB 0.578 41.391 40.800 0.022 0.000 1.169 672 D HN 0.628 nan 8.370 nan 0.000 0.489 673 G N 4.811 113.621 108.800 0.017 0.000 2.855 673 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.227 673 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.227 673 G C -0.540 174.371 174.900 0.017 0.000 1.245 673 G CA 1.237 46.346 45.100 0.016 0.000 0.781 673 G HN 0.711 nan 8.290 nan 0.000 0.666 674 P HA -0.081 nan 4.420 nan 0.000 0.216 674 P C 1.763 179.076 177.300 0.021 0.000 1.150 674 P CA 2.170 65.281 63.100 0.019 0.000 0.837 674 P CB -0.442 31.269 31.700 0.018 0.000 0.786 675 T N -0.218 114.350 114.554 0.022 0.000 2.759 675 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 675 T C 1.988 176.703 174.700 0.025 0.000 1.042 675 T CA 1.211 63.326 62.100 0.025 0.000 1.140 675 T CB -0.480 68.404 68.868 0.027 0.000 0.864 675 T HN 0.004 nan 8.240 nan 0.000 0.455 676 M N 0.868 120.481 119.600 0.022 0.000 2.066 676 M HA -0.036 4.444 4.480 -0.000 0.000 0.259 676 M C 2.562 178.876 176.300 0.023 0.000 1.074 676 M CA 1.407 56.719 55.300 0.021 0.000 1.114 676 M CB -0.880 31.731 32.600 0.018 0.000 1.306 676 M HN 0.122 nan 8.290 nan 0.000 0.411 677 R N 1.065 121.578 120.500 0.022 0.000 2.113 677 R HA -0.227 4.113 4.340 -0.000 0.000 0.244 677 R C 1.751 178.066 176.300 0.025 0.000 1.142 677 R CA 2.228 58.342 56.100 0.023 0.000 0.953 677 R CB -0.850 29.462 30.300 0.021 0.000 0.860 677 R HN 0.556 nan 8.270 nan 0.000 0.438 678 E N 0.002 120.217 120.200 0.025 0.000 2.219 678 E HA -0.180 4.170 4.350 -0.000 0.000 0.198 678 E C 2.084 178.703 176.600 0.031 0.000 0.998 678 E CA 1.353 57.769 56.400 0.026 0.000 0.818 678 E CB -0.102 29.614 29.700 0.027 0.000 0.741 678 E HN 0.517 nan 8.360 nan 0.000 0.477 679 I N 0.601 121.191 120.570 0.034 0.000 2.333 679 I HA -0.204 3.966 4.170 -0.000 0.000 0.246 679 I C 2.414 178.559 176.117 0.046 0.000 1.106 679 I CA 1.407 62.731 61.300 0.040 0.000 1.411 679 I CB -0.380 37.641 38.000 0.035 0.000 1.082 679 I HN 0.188 nan 8.210 nan 0.000 0.420 680 T N 0.023 114.602 114.554 0.041 0.000 2.803 680 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 680 T C 1.490 176.217 174.700 0.045 0.000 1.052 680 T CA 1.553 63.681 62.100 0.046 0.000 1.136 680 T CB -0.549 68.342 68.868 0.039 0.000 0.864 680 T HN 0.579 nan 8.240 nan 0.000 0.467 681 E N 0.961 121.182 120.200 0.034 0.000 2.230 681 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 681 E C 1.860 178.474 176.600 0.023 0.000 0.987 681 E CA 0.897 57.313 56.400 0.026 0.000 0.841 681 E CB -0.697 29.014 29.700 0.019 0.000 0.783 681 E HN 0.384 nan 8.360 nan 0.000 0.481 682 T N 1.545 116.118 114.554 0.032 0.000 2.951 682 T HA 0.010 4.360 4.350 -0.000 0.000 0.268 682 T C 1.866 176.589 174.700 0.039 0.000 1.073 682 T CA 0.620 62.739 62.100 0.031 0.000 1.134 682 T CB -0.073 68.820 68.868 0.043 0.000 0.884 682 T HN 0.122 nan 8.240 nan 0.000 0.479 683 I N 1.271 121.879 120.570 0.063 0.000 2.146 683 I HA -0.085 4.085 4.170 -0.000 0.000 0.231 683 I C 2.922 179.064 176.117 0.042 0.000 1.063 683 I CA 0.875 62.232 61.300 0.095 0.000 1.340 683 I CB -0.808 37.282 38.000 0.149 0.000 1.100 683 I HN 0.151 nan 8.210 nan 0.000 0.403 684 A N 1.659 124.507 122.820 0.047 0.000 1.900 684 A HA -0.413 3.907 4.320 -0.000 0.000 0.225 684 A C 2.074 179.652 177.584 -0.011 0.000 1.414 684 A CA 3.337 55.388 52.037 0.024 0.000 0.702 684 A CB -1.525 17.490 19.000 0.026 0.000 0.845 684 A HN 0.720 nan 8.150 nan 0.000 0.478 685 E N -0.004 120.185 120.200 -0.019 0.000 2.108 685 E HA -0.121 4.229 4.350 -0.000 0.000 0.203 685 E C 1.871 178.414 176.600 -0.096 0.000 1.022 685 E CA 2.137 58.508 56.400 -0.049 0.000 0.823 685 E CB -0.766 28.907 29.700 -0.045 0.000 0.744 685 E HN 0.677 nan 8.360 nan 0.000 0.456 686 A N 0.548 123.305 122.820 -0.105 0.000 2.066 686 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 686 A C 2.109 179.602 177.584 -0.152 0.000 1.157 686 A CA 1.307 53.238 52.037 -0.176 0.000 0.670 686 A CB -0.462 18.454 19.000 -0.141 0.000 0.804 686 A HN 0.229 nan 8.150 nan 0.000 0.453 687 K N -0.303 120.041 120.400 -0.094 0.000 2.365 687 K HA -0.109 4.211 4.320 -0.000 0.000 0.199 687 K C 1.901 178.479 176.600 -0.038 0.000 1.045 687 K CA 1.464 57.713 56.287 -0.064 0.000 0.962 687 K CB 0.002 32.496 32.500 -0.010 0.000 0.759 687 K HN 0.443 nan 8.250 nan 0.000 0.469 688 K N 0.783 121.150 120.400 -0.054 0.000 2.108 688 K HA -0.009 4.311 4.320 -0.000 0.000 0.204 688 K C 1.762 178.322 176.600 -0.067 0.000 1.036 688 K CA 1.033 57.295 56.287 -0.041 0.000 0.965 688 K CB -0.024 32.451 32.500 -0.041 0.000 0.804 688 K HN -0.169 nan 8.250 nan 0.000 0.454 689 K N 0.316 120.621 120.400 -0.158 0.000 2.304 689 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 689 K C 1.774 178.264 176.600 -0.183 0.000 1.044 689 K CA 1.450 57.563 56.287 -0.291 0.000 0.932 689 K CB -0.114 32.030 32.500 -0.594 0.000 0.735 689 K HN 0.187 nan 8.250 nan 0.000 0.468 690 V N 0.321 120.215 119.914 -0.033 0.000 2.492 690 V HA -0.118 4.002 4.120 -0.000 0.000 0.241 690 V C 1.890 178.089 176.094 0.175 0.000 1.041 690 V CA 1.091 63.504 62.300 0.188 0.000 1.057 690 V CB -0.145 31.755 31.823 0.129 0.000 0.711 690 V HN 0.389 nan 8.190 nan 0.000 0.468 691 L N 1.288 122.566 121.223 0.093 0.000 1.990 691 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 691 L C 2.135 179.057 176.870 0.087 0.000 1.072 691 L CA 2.789 57.681 54.840 0.087 0.000 0.755 691 L CB -1.468 40.618 42.059 0.045 0.000 0.889 691 L HN 0.402 nan 8.230 nan 0.000 0.432 692 D N -0.005 120.435 120.400 0.067 0.000 2.120 692 D HA -0.208 4.432 4.640 -0.000 0.000 0.191 692 D C 2.250 178.604 176.300 0.089 0.000 0.994 692 D CA 2.234 56.269 54.000 0.058 0.000 0.838 692 D CB -0.763 40.062 40.800 0.041 0.000 0.976 692 D HN 0.334 nan 8.370 nan 0.000 0.447 693 V N 1.397 121.407 119.914 0.159 0.000 2.636 693 V HA -0.260 3.860 4.120 -0.000 0.000 0.258 693 V C 2.417 178.611 176.094 0.167 0.000 1.092 693 V CA 2.040 64.465 62.300 0.208 0.000 1.110 693 V CB -1.107 30.934 31.823 0.363 0.000 0.685 693 V HN 0.237 nan 8.190 nan 0.000 0.481 694 T N -0.901 113.757 114.554 0.174 0.000 2.857 694 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 694 T C 1.923 176.556 174.700 -0.111 0.000 1.048 694 T CA 1.314 63.443 62.100 0.049 0.000 1.139 694 T CB -0.082 68.878 68.868 0.153 0.000 0.874 694 T HN 0.494 nan 8.240 nan 0.000 0.455 695 K N 0.739 121.114 120.400 -0.041 0.000 2.128 695 K HA 0.077 4.397 4.320 -0.000 0.000 0.202 695 K C 2.299 178.857 176.600 -0.070 0.000 1.050 695 K CA 0.449 56.700 56.287 -0.061 0.000 0.966 695 K CB 0.014 32.499 32.500 -0.024 0.000 0.759 695 K HN 0.327 nan 8.250 nan 0.000 0.454 696 E N 0.444 120.622 120.200 -0.036 0.000 2.448 696 E HA -0.192 4.158 4.350 -0.000 0.000 0.203 696 E C 1.034 177.593 176.600 -0.069 0.000 1.046 696 E CA 0.884 57.267 56.400 -0.027 0.000 0.871 696 E CB 0.133 29.844 29.700 0.018 0.000 0.790 696 E HN 0.317 nan 8.360 nan 0.000 0.545 697 A N -0.220 122.512 122.820 -0.147 0.000 2.211 697 A HA 0.101 4.421 4.320 -0.000 0.000 0.208 697 A C 1.750 179.191 177.584 -0.239 0.000 1.250 697 A CA -0.163 51.735 52.037 -0.231 0.000 0.935 697 A CB 0.231 18.959 19.000 -0.453 0.000 0.982 697 A HN 0.179 nan 8.150 nan 0.000 0.490 698 Q N -0.317 119.353 119.800 -0.216 0.000 2.369 698 Q HA 0.079 4.419 4.340 -0.000 0.000 0.206 698 Q C 1.771 177.702 176.000 -0.115 0.000 0.963 698 Q CA 0.924 56.620 55.803 -0.178 0.000 0.894 698 Q CB -0.097 28.552 28.738 -0.149 0.000 0.965 698 Q HN 0.628 nan 8.270 nan 0.000 0.475 699 A N 0.957 123.720 122.820 -0.094 0.000 2.275 699 A HA 0.028 4.348 4.320 -0.000 0.000 0.212 699 A C 0.498 178.047 177.584 -0.059 0.000 1.201 699 A CA 0.243 52.242 52.037 -0.063 0.000 0.843 699 A CB 0.040 19.012 19.000 -0.046 0.000 0.873 699 A HN 0.455 nan 8.150 nan 0.000 0.492 700 N N -1.131 117.523 118.700 -0.076 0.000 2.814 700 N HA -0.127 4.613 4.740 -0.000 0.000 0.247 700 N C -0.162 175.321 175.510 -0.045 0.000 1.089 700 N CA 0.897 53.909 53.050 -0.064 0.000 0.682 700 N CB -1.892 36.564 38.487 -0.051 0.000 0.970 700 N HN 0.438 nan 8.380 nan 0.000 0.554 701 L N -0.965 120.231 121.223 -0.045 0.000 3.202 701 L HA 0.391 4.731 4.340 -0.000 0.000 0.278 701 L C 0.285 177.144 176.870 -0.018 0.000 1.268 701 L CA -0.280 54.544 54.840 -0.026 0.000 1.034 701 L CB 0.291 42.338 42.059 -0.020 0.000 1.407 701 L HN 0.172 nan 8.230 nan 0.000 0.581 702 L N 0.635 121.842 121.223 -0.025 0.000 2.322 702 L HA 0.462 4.802 4.340 -0.000 0.000 0.281 702 L C -0.007 176.862 176.870 -0.003 0.000 1.014 702 L CA -0.146 54.689 54.840 -0.009 0.000 0.815 702 L CB 2.353 44.403 42.059 -0.015 0.000 1.247 702 L HN 0.008 nan 8.230 nan 0.000 0.421 703 T N 3.674 118.233 114.554 0.009 0.000 2.761 703 T HA 0.271 4.621 4.350 -0.000 0.000 0.296 703 T C 0.335 175.045 174.700 0.016 0.000 0.934 703 T CA -0.383 61.725 62.100 0.012 0.000 1.091 703 T CB 0.926 69.805 68.868 0.018 0.000 0.896 703 T HN 0.647 nan 8.240 nan 0.000 0.515 704 A N 5.229 128.056 122.820 0.011 0.000 2.473 704 A HA 0.197 4.517 4.320 -0.000 0.000 0.282 704 A C 0.604 178.198 177.584 0.018 0.000 1.163 704 A CA -0.264 51.778 52.037 0.008 0.000 0.827 704 A CB -0.244 18.753 19.000 -0.006 0.000 1.098 704 A HN 0.810 nan 8.150 nan 0.000 0.515 705 K N 2.448 122.863 120.400 0.024 0.000 2.511 705 K HA -0.046 4.273 4.320 -0.000 0.000 0.280 705 K C 0.159 176.786 176.600 0.045 0.000 1.008 705 K CA 0.126 56.439 56.287 0.043 0.000 1.050 705 K CB 0.155 32.676 32.500 0.034 0.000 0.889 705 K HN 0.834 nan 8.250 nan 0.000 0.484 706 H N 1.112 120.180 119.070 -0.004 0.000 3.209 706 H HA -0.117 4.438 4.556 -0.000 0.000 0.297 706 H C 1.382 176.707 175.328 -0.004 0.000 0.936 706 H CA 2.181 58.224 56.048 -0.008 0.000 1.392 706 H CB 0.009 29.762 29.762 -0.014 0.000 1.349 706 H HN 0.832 nan 8.280 nan 0.000 0.568 707 G N 3.301 111.778 108.800 -0.539 0.000 2.241 707 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 707 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 707 G C 0.226 175.038 174.900 -0.147 0.000 0.998 707 G CA 0.336 45.245 45.100 -0.318 0.000 0.621 707 G HN 0.641 nan 8.290 nan 0.000 0.519 708 M N 1.198 120.739 119.600 -0.099 0.000 2.578 708 M HA 0.509 4.989 4.480 -0.000 0.000 0.321 708 M C 0.766 177.042 176.300 -0.040 0.000 1.182 708 M CA -0.625 54.644 55.300 -0.051 0.000 0.965 708 M CB 1.769 34.355 32.600 -0.024 0.000 1.694 708 M HN 0.074 nan 8.290 nan 0.000 0.461 709 T N 0.919 115.460 114.554 -0.022 0.000 2.652 709 T HA 0.145 4.495 4.350 -0.000 0.000 0.319 709 T C 1.266 175.969 174.700 0.005 0.000 1.029 709 T CA -0.311 61.783 62.100 -0.010 0.000 0.990 709 T CB 0.433 69.303 68.868 0.003 0.000 1.098 709 T HN 0.441 nan 8.240 nan 0.000 0.520 710 L N 0.091 121.319 121.223 0.008 0.000 2.095 710 L HA 0.118 4.458 4.340 -0.000 0.000 0.204 710 L C 2.780 179.689 176.870 0.064 0.000 1.080 710 L CA 1.405 56.255 54.840 0.016 0.000 0.759 710 L CB -0.634 41.416 42.059 -0.016 0.000 0.914 710 L HN 0.461 nan 8.230 nan 0.000 0.439 711 R N 0.059 120.598 120.500 0.065 0.000 2.073 711 R HA -0.147 4.192 4.340 -0.000 0.000 0.234 711 R C 2.174 178.559 176.300 0.141 0.000 1.134 711 R CA 1.503 57.688 56.100 0.140 0.000 0.952 711 R CB -0.532 29.831 30.300 0.104 0.000 0.850 711 R HN 0.463 nan 8.270 nan 0.000 0.433 712 E N 0.484 120.723 120.200 0.064 0.000 2.085 712 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 712 E C 2.000 178.613 176.600 0.022 0.000 0.994 712 E CA 1.385 57.800 56.400 0.026 0.000 0.801 712 E CB -0.056 29.645 29.700 0.002 0.000 0.743 712 E HN 0.203 nan 8.360 nan 0.000 0.453 713 S N 0.283 116.009 115.700 0.043 0.000 2.453 713 S HA -0.072 4.398 4.470 -0.000 0.000 0.231 713 S C 1.355 176.003 174.600 0.081 0.000 1.005 713 S CA 0.275 58.497 58.200 0.036 0.000 0.949 713 S CB -0.141 63.080 63.200 0.034 0.000 0.774 713 S HN 0.262 nan 8.310 nan 0.000 0.510 714 F N 3.131 123.054 119.950 -0.046 0.000 2.074 714 F HA -0.012 4.515 4.527 -0.000 0.000 0.293 714 F C 2.168 177.933 175.800 -0.058 0.000 1.116 714 F CA 1.329 59.301 58.000 -0.047 0.000 1.212 714 F CB -0.769 38.213 39.000 -0.031 0.000 0.998 714 F HN 0.015 nan 8.300 nan 0.000 0.471 715 E N 0.669 120.671 120.200 -0.330 0.000 2.021 715 E HA -0.299 4.051 4.350 -0.000 0.000 0.200 715 E C 2.112 178.509 176.600 -0.339 0.000 1.015 715 E CA 1.579 57.708 56.400 -0.451 0.000 0.824 715 E CB -1.216 28.353 29.700 -0.217 0.000 0.762 715 E HN 0.509 nan 8.360 nan 0.000 0.454 716 D N 0.723 121.003 120.400 -0.201 0.000 2.347 716 D HA -0.238 4.401 4.640 -0.000 0.000 0.189 716 D C 1.456 177.593 176.300 -0.272 0.000 1.020 716 D CA 1.795 55.690 54.000 -0.176 0.000 0.875 716 D CB -0.077 40.659 40.800 -0.108 0.000 0.928 716 D HN 0.077 nan 8.370 nan 0.000 0.454 717 N N 0.275 118.775 118.700 -0.334 0.000 2.028 717 N HA -0.146 4.594 4.740 -0.000 0.000 0.194 717 N C 2.181 177.174 175.510 -0.861 0.000 1.050 717 N CA 1.495 54.191 53.050 -0.591 0.000 0.848 717 N CB -1.035 37.175 38.487 -0.461 0.000 1.038 717 N HN 0.163 nan 8.380 nan 0.000 0.423 718 V N 1.326 120.863 119.914 -0.629 0.000 2.225 718 V HA -0.296 3.824 4.120 -0.000 0.000 0.252 718 V C 2.512 178.437 176.094 -0.281 0.000 1.055 718 V CA 2.012 64.059 62.300 -0.421 0.000 1.032 718 V CB -1.152 30.377 31.823 -0.491 0.000 0.655 718 V HN 0.106 nan 8.190 nan 0.000 0.458 719 V N 0.088 119.851 119.914 -0.253 0.000 2.250 719 V HA -0.366 3.754 4.120 -0.000 0.000 0.253 719 V C 2.574 178.614 176.094 -0.090 0.000 1.065 719 V CA 2.691 64.909 62.300 -0.137 0.000 1.039 719 V CB -0.883 30.868 31.823 -0.120 0.000 0.647 719 V HN 0.546 nan 8.190 nan 0.000 0.446 720 R N -1.227 119.181 120.500 -0.153 0.000 2.341 720 R HA -0.112 4.228 4.340 -0.000 0.000 0.213 720 R C 2.039 178.379 176.300 0.066 0.000 1.082 720 R CA 1.139 57.194 56.100 -0.074 0.000 1.017 720 R CB -0.190 30.034 30.300 -0.126 0.000 0.860 720 R HN 0.593 nan 8.270 nan 0.000 0.473 721 F N -0.422 119.490 119.950 -0.062 0.000 2.148 721 F HA -0.104 4.423 4.527 -0.000 0.000 0.285 721 F C 1.881 177.626 175.800 -0.092 0.000 1.092 721 F CA -0.067 57.891 58.000 -0.070 0.000 1.218 721 F CB -0.145 38.800 39.000 -0.092 0.000 1.059 721 F HN -0.057 nan 8.300 nan 0.000 0.490 722 L N 0.525 121.778 121.223 0.049 0.000 1.971 722 L HA -0.307 4.033 4.340 -0.000 0.000 0.215 722 L C 1.991 178.915 176.870 0.091 0.000 1.072 722 L CA 1.586 56.336 54.840 -0.152 0.000 0.758 722 L CB -1.323 40.481 42.059 -0.425 0.000 0.889 722 L HN 0.121 nan 8.230 nan 0.000 0.433 723 N N -0.227 118.547 118.700 0.122 0.000 2.036 723 N HA -0.260 4.479 4.740 -0.000 0.000 0.195 723 N C 1.927 177.520 175.510 0.140 0.000 1.037 723 N CA 1.644 54.784 53.050 0.149 0.000 0.855 723 N CB -0.293 38.253 38.487 0.099 0.000 1.033 723 N HN 0.485 nan 8.380 nan 0.000 0.423 724 E N 0.457 120.729 120.200 0.121 0.000 2.171 724 E HA -0.154 4.196 4.350 -0.000 0.000 0.197 724 E C 1.727 178.395 176.600 0.113 0.000 0.997 724 E CA 1.040 57.509 56.400 0.116 0.000 0.810 724 E CB 0.032 29.811 29.700 0.131 0.000 0.738 724 E HN 0.365 nan 8.360 nan 0.000 0.467 725 A N 1.373 124.260 122.820 0.111 0.000 1.872 725 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 725 A C 2.175 179.844 177.584 0.142 0.000 1.187 725 A CA 1.318 53.413 52.037 0.098 0.000 0.614 725 A CB -0.494 18.540 19.000 0.056 0.000 0.826 725 A HN 0.182 nan 8.150 nan 0.000 0.442 726 R N -0.082 120.536 120.500 0.197 0.000 2.081 726 R HA -0.201 4.139 4.340 -0.000 0.000 0.235 726 R C 1.422 177.820 176.300 0.163 0.000 1.131 726 R CA 2.100 58.314 56.100 0.191 0.000 0.960 726 R CB -0.539 29.889 30.300 0.213 0.000 0.856 726 R HN 0.458 nan 8.270 nan 0.000 0.436 727 D N 0.300 120.814 120.400 0.190 0.000 2.106 727 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 727 D C 1.824 178.283 176.300 0.265 0.000 0.997 727 D CA 1.599 55.756 54.000 0.262 0.000 0.834 727 D CB -0.047 40.866 40.800 0.189 0.000 0.956 727 D HN 0.223 nan 8.370 nan 0.000 0.448 728 K N 0.027 120.528 120.400 0.169 0.000 2.097 728 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 728 K C 2.019 178.698 176.600 0.131 0.000 1.050 728 K CA 0.966 57.337 56.287 0.140 0.000 0.938 728 K CB -0.085 32.470 32.500 0.092 0.000 0.718 728 K HN 0.071 nan 8.250 nan 0.000 0.442 729 A N 0.776 123.665 122.820 0.115 0.000 1.927 729 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 729 A C 2.217 179.840 177.584 0.066 0.000 1.185 729 A CA 2.223 54.310 52.037 0.084 0.000 0.639 729 A CB -1.305 17.745 19.000 0.083 0.000 0.820 729 A HN 0.549 nan 8.150 nan 0.000 0.451 730 G N -1.049 107.800 108.800 0.081 0.000 2.496 730 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 730 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 730 G C 1.569 176.550 174.900 0.135 0.000 1.234 730 G CA 0.656 45.753 45.100 -0.005 0.000 0.807 730 G HN 0.513 nan 8.290 nan 0.000 0.543 731 R N -0.173 120.562 120.500 0.391 0.000 2.294 731 R HA -0.081 4.259 4.340 -0.000 0.000 0.250 731 R C 2.483 178.894 176.300 0.184 0.000 1.181 731 R CA 0.753 57.075 56.100 0.369 0.000 1.016 731 R CB -0.374 30.072 30.300 0.243 0.000 0.869 731 R HN 0.359 nan 8.270 nan 0.000 0.476 732 L N -0.855 120.445 121.223 0.129 0.000 2.049 732 L HA -0.082 4.257 4.340 -0.000 0.000 0.203 732 L C 2.567 179.478 176.870 0.068 0.000 1.074 732 L CA 1.140 56.030 54.840 0.083 0.000 0.749 732 L CB -0.526 41.572 42.059 0.065 0.000 0.907 732 L HN 0.214 nan 8.230 nan 0.000 0.439 733 A N -0.296 122.555 122.820 0.051 0.000 2.019 733 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 733 A C 2.165 179.774 177.584 0.042 0.000 1.164 733 A CA 1.785 53.841 52.037 0.031 0.000 0.644 733 A CB -0.468 18.532 19.000 0.000 0.000 0.805 733 A HN 0.510 nan 8.150 nan 0.000 0.449 734 E N -0.198 120.045 120.200 0.071 0.000 2.072 734 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 734 E C 1.666 178.322 176.600 0.092 0.000 0.985 734 E CA 1.452 57.911 56.400 0.099 0.000 0.801 734 E CB -0.083 29.740 29.700 0.205 0.000 0.750 734 E HN 0.317 nan 8.360 nan 0.000 0.452 735 V N 1.854 121.821 119.914 0.089 0.000 2.488 735 V HA -0.175 3.944 4.120 -0.000 0.000 0.246 735 V C 2.273 178.400 176.094 0.055 0.000 1.046 735 V CA 1.675 64.017 62.300 0.070 0.000 1.053 735 V CB -0.679 31.183 31.823 0.065 0.000 0.679 735 V HN 0.435 nan 8.190 nan 0.000 0.458 736 N N 0.446 119.177 118.700 0.051 0.000 2.571 736 N HA -0.030 4.710 4.740 -0.000 0.000 0.189 736 N C 0.421 175.955 175.510 0.040 0.000 1.154 736 N CA 0.226 53.300 53.050 0.042 0.000 0.907 736 N CB 0.039 38.548 38.487 0.037 0.000 0.977 736 N HN 0.408 nan 8.380 nan 0.000 0.449 737 L N 3.577 124.827 121.223 0.045 0.000 2.268 737 L HA 0.136 4.475 4.340 -0.000 0.000 0.289 737 L C 0.608 177.507 176.870 0.048 0.000 1.064 737 L CA -0.818 54.049 54.840 0.045 0.000 0.824 737 L CB 0.918 43.005 42.059 0.047 0.000 1.202 737 L HN 0.075 nan 8.230 nan 0.000 0.433 738 K N 1.915 122.342 120.400 0.044 0.000 2.323 738 K HA -0.070 4.250 4.320 -0.000 0.000 0.259 738 K C 0.099 176.730 176.600 0.052 0.000 0.993 738 K CA -0.113 56.201 56.287 0.045 0.000 0.866 738 K CB 0.663 33.188 32.500 0.042 0.000 0.997 738 K HN 0.387 nan 8.250 nan 0.000 0.524 739 D N 0.270 120.701 120.400 0.052 0.000 2.194 739 D HA -0.061 4.578 4.640 -0.000 0.000 0.204 739 D C 1.770 178.112 176.300 0.070 0.000 0.964 739 D CA 1.012 55.047 54.000 0.058 0.000 0.846 739 D CB -0.234 40.597 40.800 0.051 0.000 0.962 739 D HN 0.487 nan 8.370 nan 0.000 0.490 740 L N 0.133 121.398 121.223 0.070 0.000 2.456 740 L HA 0.041 4.381 4.340 -0.000 0.000 0.224 740 L C 0.575 177.503 176.870 0.096 0.000 1.148 740 L CA 0.292 55.183 54.840 0.084 0.000 0.825 740 L CB -1.682 40.419 42.059 0.071 0.000 0.937 740 L HN -0.225 nan 8.230 nan 0.000 0.450 741 N N 1.130 119.879 118.700 0.082 0.000 2.440 741 N HA -0.054 4.686 4.740 -0.000 0.000 0.265 741 N C 1.042 176.623 175.510 0.118 0.000 1.239 741 N CA 0.094 53.192 53.050 0.080 0.000 0.909 741 N CB 0.322 38.847 38.487 0.063 0.000 1.066 741 N HN 0.213 nan 8.380 nan 0.000 0.474 742 N N 2.939 121.714 118.700 0.126 0.000 2.025 742 N HA -0.171 4.569 4.740 -0.000 0.000 0.194 742 N C 1.477 177.108 175.510 0.201 0.000 1.044 742 N CA 1.185 54.361 53.050 0.211 0.000 0.851 742 N CB -0.549 37.959 38.487 0.034 0.000 1.036 742 N HN 0.330 nan 8.380 nan 0.000 0.422 743 V N 1.970 121.948 119.914 0.107 0.000 2.313 743 V HA -0.289 3.830 4.120 -0.000 0.000 0.253 743 V C 2.532 178.690 176.094 0.107 0.000 1.070 743 V CA 1.886 64.244 62.300 0.096 0.000 1.057 743 V CB -0.545 31.310 31.823 0.055 0.000 0.653 743 V HN 0.416 nan 8.190 nan 0.000 0.450 744 K N -0.588 119.871 120.400 0.099 0.000 2.057 744 K HA -0.205 4.115 4.320 -0.000 0.000 0.206 744 K C 2.292 178.948 176.600 0.093 0.000 1.050 744 K CA 1.531 57.871 56.287 0.089 0.000 0.935 744 K CB -0.198 32.349 32.500 0.078 0.000 0.715 744 K HN 0.479 nan 8.250 nan 0.000 0.439 745 Q N -0.043 119.826 119.800 0.116 0.000 2.152 745 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 745 Q C 2.052 178.086 176.000 0.056 0.000 0.985 745 Q CA 1.988 57.842 55.803 0.085 0.000 0.863 745 Q CB -0.024 28.791 28.738 0.128 0.000 0.904 745 Q HN 0.451 nan 8.270 nan 0.000 0.422 746 M N -0.875 118.801 119.600 0.128 0.000 2.288 746 M HA -0.121 4.359 4.480 -0.000 0.000 0.266 746 M C 2.030 178.372 176.300 0.069 0.000 1.072 746 M CA 0.789 56.153 55.300 0.105 0.000 1.132 746 M CB 0.189 32.894 32.600 0.174 0.000 1.386 746 M HN 0.061 nan 8.290 nan 0.000 0.432 747 V N 0.197 120.157 119.914 0.075 0.000 2.626 747 V HA -0.223 3.896 4.120 -0.000 0.000 0.252 747 V C 2.193 178.318 176.094 0.052 0.000 1.067 747 V CA 1.405 63.746 62.300 0.068 0.000 1.081 747 V CB -0.601 31.271 31.823 0.082 0.000 0.686 747 V HN 0.499 nan 8.190 nan 0.000 0.468 748 M N -0.034 119.590 119.600 0.040 0.000 2.193 748 M HA -0.016 4.464 4.480 -0.000 0.000 0.265 748 M C 2.348 178.652 176.300 0.007 0.000 1.071 748 M CA 1.871 57.185 55.300 0.024 0.000 1.140 748 M CB -0.426 32.185 32.600 0.018 0.000 1.369 748 M HN 0.351 nan 8.290 nan 0.000 0.423 749 A N -0.169 122.647 122.820 -0.007 0.000 2.015 749 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 749 A C 1.735 179.317 177.584 -0.004 0.000 1.163 749 A CA 1.278 53.303 52.037 -0.021 0.000 0.646 749 A CB -0.996 17.977 19.000 -0.047 0.000 0.806 749 A HN 0.674 nan 8.150 nan 0.000 0.448 750 G N -0.750 108.058 108.800 0.014 0.000 2.149 750 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 750 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 750 G C 0.984 175.899 174.900 0.024 0.000 1.018 750 G CA 1.232 46.346 45.100 0.022 0.000 0.728 750 G HN 1.441 nan 8.290 nan 0.000 0.508 751 S N -1.660 114.057 115.700 0.027 0.000 2.414 751 S HA 0.423 4.893 4.470 -0.000 0.000 0.227 751 S C 1.009 175.636 174.600 0.045 0.000 1.022 751 S CA 1.533 59.754 58.200 0.035 0.000 0.958 751 S CB 0.617 63.840 63.200 0.038 0.000 0.797 751 S HN 0.511 nan 8.310 nan 0.000 0.493 752 K N -0.825 119.607 120.400 0.052 0.000 2.809 752 K HA 0.477 4.797 4.320 -0.000 0.000 0.293 752 K C -0.097 176.538 176.600 0.058 0.000 1.061 752 K CA 0.155 56.474 56.287 0.052 0.000 0.837 752 K CB 0.799 33.333 32.500 0.056 0.000 1.524 752 K HN 0.565 nan 8.250 nan 0.000 0.370 753 G N 0.863 109.695 108.800 0.053 0.000 2.901 753 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.654 753 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.654 753 G C -0.417 174.524 174.900 0.067 0.000 1.550 753 G CA 0.314 45.448 45.100 0.057 0.000 0.978 753 G HN 1.391 nan 8.290 nan 0.000 0.566 754 S N -0.672 115.073 115.700 0.076 0.000 2.703 754 S HA 0.671 5.141 4.470 -0.000 0.000 0.273 754 S C 0.593 175.274 174.600 0.136 0.000 1.178 754 S CA 0.330 58.597 58.200 0.111 0.000 0.838 754 S CB 0.933 64.203 63.200 0.117 0.000 1.178 754 S HN 1.952 nan 8.310 nan 0.000 0.494 755 F N 1.795 121.767 119.950 0.037 0.000 2.070 755 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 755 F C 2.115 177.941 175.800 0.042 0.000 1.189 755 F CA 2.313 60.335 58.000 0.038 0.000 1.223 755 F CB -0.594 38.426 39.000 0.033 0.000 0.939 755 F HN 0.536 nan 8.300 nan 0.000 0.531 756 I N 1.107 121.670 120.570 -0.012 0.000 2.227 756 I HA -0.426 3.744 4.170 -0.000 0.000 0.250 756 I C 2.149 178.177 176.117 -0.148 0.000 1.087 756 I CA 1.782 62.990 61.300 -0.154 0.000 1.352 756 I CB -1.743 36.312 38.000 0.091 0.000 1.043 756 I HN 0.425 nan 8.210 nan 0.000 0.425 757 N N 1.177 119.847 118.700 -0.049 0.000 2.025 757 N HA -0.173 4.566 4.740 -0.000 0.000 0.194 757 N C 2.007 177.489 175.510 -0.046 0.000 1.044 757 N CA 1.507 54.553 53.050 -0.005 0.000 0.851 757 N CB -0.367 38.136 38.487 0.026 0.000 1.036 757 N HN 0.388 nan 8.380 nan 0.000 0.422 758 I N 1.546 122.055 120.570 -0.102 0.000 2.208 758 I HA -0.278 3.891 4.170 -0.000 0.000 0.245 758 I C 2.434 178.449 176.117 -0.170 0.000 1.097 758 I CA 0.926 62.161 61.300 -0.108 0.000 1.363 758 I CB -0.431 37.499 38.000 -0.117 0.000 1.051 758 I HN 0.075 nan 8.210 nan 0.000 0.413 759 A N 0.975 123.591 122.820 -0.340 0.000 1.848 759 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 759 A C 2.189 179.662 177.584 -0.184 0.000 1.220 759 A CA 2.090 53.920 52.037 -0.345 0.000 0.645 759 A CB -1.006 17.692 19.000 -0.503 0.000 0.842 759 A HN 0.535 nan 8.150 nan 0.000 0.451 760 Q N -0.971 118.740 119.800 -0.148 0.000 2.439 760 Q HA -0.044 4.295 4.340 -0.000 0.000 0.211 760 Q C 2.012 177.953 176.000 -0.098 0.000 0.978 760 Q CA 1.102 56.795 55.803 -0.183 0.000 0.897 760 Q CB -0.267 28.383 28.738 -0.145 0.000 0.956 760 Q HN 0.728 nan 8.270 nan 0.000 0.483 761 M N -0.400 119.226 119.600 0.044 0.000 2.171 761 M HA -0.066 4.414 4.480 -0.000 0.000 0.260 761 M C 1.995 178.323 176.300 0.047 0.000 1.087 761 M CA 1.345 56.727 55.300 0.136 0.000 1.154 761 M CB 0.196 32.858 32.600 0.103 0.000 1.331 761 M HN 0.093 nan 8.290 nan 0.000 0.431 762 S N 0.249 115.946 115.700 -0.004 0.000 2.441 762 S HA 0.230 4.700 4.470 -0.000 0.000 0.224 762 S C 1.816 176.399 174.600 -0.028 0.000 1.043 762 S CA 0.495 58.690 58.200 -0.010 0.000 0.948 762 S CB -0.164 63.031 63.200 -0.009 0.000 0.810 762 S HN 0.414 nan 8.310 nan 0.000 0.504 763 A N 0.701 123.487 122.820 -0.056 0.000 1.991 763 A HA 0.444 4.764 4.320 -0.000 0.000 0.217 763 A C 0.977 178.521 177.584 -0.067 0.000 1.487 763 A CA 0.834 52.840 52.037 -0.051 0.000 0.603 763 A CB -0.763 18.201 19.000 -0.061 0.000 1.112 763 A HN 0.638 nan 8.150 nan 0.000 0.492 764 C N -1.475 117.763 119.300 -0.103 0.000 2.716 764 C HA 0.504 4.964 4.460 -0.000 0.000 0.366 764 C C 1.568 176.424 174.990 -0.223 0.000 1.073 764 C CA -0.350 58.579 59.018 -0.148 0.000 1.260 764 C CB 0.229 27.925 27.740 -0.073 0.000 1.755 764 C HN 0.577 nan 8.230 nan 0.000 0.475 765 V N 5.340 125.052 119.914 -0.337 0.000 2.220 765 V HA 0.184 4.304 4.120 -0.000 0.000 0.250 765 V C 1.751 177.679 176.094 -0.277 0.000 1.056 765 V CA 2.937 65.003 62.300 -0.391 0.000 1.016 765 V CB -1.154 30.390 31.823 -0.464 0.000 0.639 765 V HN 1.801 nan 8.190 nan 0.000 0.446 766 G N -1.289 107.299 108.800 -0.353 0.000 2.343 766 G HA2 0.115 4.075 3.960 -0.000 0.000 0.465 766 G HA3 0.115 4.075 3.960 -0.000 0.000 0.465 766 G C -0.986 173.770 174.900 -0.240 0.000 1.282 766 G CA -0.078 44.883 45.100 -0.230 0.000 0.996 766 G HN 0.551 nan 8.290 nan 0.000 0.521 767 Q N 0.046 119.879 119.800 0.054 0.000 2.295 767 Q HA 0.621 4.961 4.340 -0.000 0.000 0.259 767 Q C 0.354 176.367 176.000 0.022 0.000 0.976 767 Q CA -0.044 55.854 55.803 0.158 0.000 0.923 767 Q CB 1.016 29.942 28.738 0.314 0.000 1.185 767 Q HN 0.564 nan 8.270 nan 0.000 0.410 768 Q N 1.700 121.495 119.800 -0.007 0.000 2.417 768 Q HA 0.559 4.899 4.340 -0.000 0.000 0.241 768 Q C -1.064 174.918 176.000 -0.031 0.000 1.008 768 Q CA 0.090 55.861 55.803 -0.054 0.000 0.901 768 Q CB 1.555 30.276 28.738 -0.028 0.000 1.259 768 Q HN 0.720 nan 8.270 nan 0.000 0.489 769 S N 0.060 115.734 115.700 -0.045 0.000 2.550 769 S HA 0.790 5.260 4.470 -0.000 0.000 0.270 769 S C -1.838 172.736 174.600 -0.044 0.000 1.145 769 S CA -0.708 57.465 58.200 -0.045 0.000 0.852 769 S CB 1.073 64.251 63.200 -0.036 0.000 1.119 769 S HN 0.255 nan 8.310 nan 0.000 0.465 770 V N 3.410 123.294 119.914 -0.050 0.000 2.623 770 V HA 0.562 4.682 4.120 -0.000 0.000 0.304 770 V C 0.073 176.141 176.094 -0.044 0.000 1.054 770 V CA -0.676 61.598 62.300 -0.044 0.000 0.882 770 V CB 1.206 33.001 31.823 -0.047 0.000 1.002 770 V HN 1.127 nan 8.190 nan 0.000 0.424 771 E N 3.012 123.192 120.200 -0.034 0.000 2.971 771 E HA -0.346 4.004 4.350 -0.000 0.000 0.271 771 E C 1.232 177.812 176.600 -0.034 0.000 1.053 771 E CA 0.979 57.361 56.400 -0.031 0.000 0.817 771 E CB -1.167 28.514 29.700 -0.032 0.000 1.410 771 E HN 1.547 nan 8.360 nan 0.000 0.445 772 G N -0.282 108.496 108.800 -0.036 0.000 3.642 772 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.205 772 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.205 772 G C 0.019 174.888 174.900 -0.052 0.000 1.526 772 G CA -0.016 45.061 45.100 -0.038 0.000 1.097 772 G HN 0.142 nan 8.290 nan 0.000 0.596 773 K N 3.085 123.445 120.400 -0.065 0.000 2.414 773 K HA 0.495 4.814 4.320 -0.000 0.000 0.272 773 K C 1.317 177.859 176.600 -0.097 0.000 0.993 773 K CA -0.021 56.213 56.287 -0.089 0.000 0.964 773 K CB 0.367 32.803 32.500 -0.107 0.000 0.925 773 K HN 0.773 nan 8.250 nan 0.000 0.487 774 R N 1.684 122.117 120.500 -0.111 0.000 2.893 774 R HA 0.115 4.455 4.340 -0.000 0.000 0.279 774 R C 0.245 176.457 176.300 -0.147 0.000 1.076 774 R CA -0.730 55.305 56.100 -0.109 0.000 1.203 774 R CB -0.197 30.045 30.300 -0.096 0.000 1.137 774 R HN 0.357 nan 8.270 nan 0.000 0.541 775 I N 0.712 121.175 120.570 -0.179 0.000 3.017 775 I HA -0.157 4.013 4.170 -0.000 0.000 0.310 775 I C 1.133 177.144 176.117 -0.178 0.000 1.220 775 I CA 0.520 61.693 61.300 -0.212 0.000 1.450 775 I CB -0.884 36.857 38.000 -0.431 0.000 1.317 775 I HN 0.793 nan 8.210 nan 0.000 0.570 776 A N 7.086 129.835 122.820 -0.118 0.000 2.450 776 A HA 0.611 4.931 4.320 -0.000 0.000 0.281 776 A C -0.151 177.524 177.584 0.152 0.000 1.372 776 A CA -0.474 51.492 52.037 -0.118 0.000 0.886 776 A CB 0.435 19.381 19.000 -0.090 0.000 1.462 776 A HN 0.602 nan 8.150 nan 0.000 0.514 777 F N 0.431 120.353 119.950 -0.048 0.000 2.344 777 F HA 0.284 4.811 4.527 -0.000 0.000 0.344 777 F C 1.619 177.437 175.800 0.030 0.000 1.140 777 F CA -0.400 57.605 58.000 0.007 0.000 1.256 777 F CB 0.766 39.778 39.000 0.019 0.000 1.573 777 F HN 0.766 nan 8.300 nan 0.000 0.547 778 G N 2.249 111.149 108.800 0.166 0.000 2.408 778 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.217 778 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.217 778 G C 0.475 175.440 174.900 0.108 0.000 1.150 778 G CA 0.126 45.255 45.100 0.048 0.000 0.776 778 G HN 0.361 nan 8.290 nan 0.000 0.542 779 F N 0.563 120.557 119.950 0.073 0.000 2.384 779 F HA 0.321 4.847 4.527 -0.000 0.000 0.338 779 F C 0.614 176.425 175.800 0.019 0.000 1.103 779 F CA -1.282 56.736 58.000 0.029 0.000 1.157 779 F CB 1.692 40.690 39.000 -0.004 0.000 1.167 779 F HN -0.270 nan 8.300 nan 0.000 0.529 780 V N 4.037 124.082 119.914 0.220 0.000 2.555 780 V HA -0.202 3.918 4.120 -0.000 0.000 0.299 780 V C -0.209 175.889 176.094 0.008 0.000 1.012 780 V CA 0.602 62.970 62.300 0.113 0.000 1.180 780 V CB -0.650 31.215 31.823 0.069 0.000 0.887 780 V HN 0.839 nan 8.190 nan 0.000 0.476 781 D N 3.037 123.439 120.400 0.004 0.000 2.701 781 D HA -0.211 4.429 4.640 -0.000 0.000 0.235 781 D C 0.375 176.086 176.300 -0.982 0.000 1.155 781 D CA 1.646 55.471 54.000 -0.291 0.000 0.649 781 D CB -0.631 40.151 40.800 -0.030 0.000 1.050 781 D HN 0.970 nan 8.370 nan 0.000 0.425 782 R N -4.633 115.214 120.500 -1.087 0.000 2.774 782 R HA 0.529 4.868 4.340 -0.000 0.000 0.279 782 R C 0.384 176.606 176.300 -0.130 0.000 1.022 782 R CA -0.823 54.839 56.100 -0.729 0.000 0.855 782 R CB 0.238 30.428 30.300 -0.183 0.000 1.279 782 R HN -0.160 nan 8.270 nan 0.000 0.485 783 T N 0.243 114.902 114.554 0.174 0.000 2.755 783 T HA 0.204 4.554 4.350 -0.000 0.000 0.251 783 T C 0.941 175.801 174.700 0.267 0.000 1.044 783 T CA 0.654 62.922 62.100 0.280 0.000 1.154 783 T CB -0.095 69.009 68.868 0.392 0.000 0.866 783 T HN 0.265 nan 8.240 nan 0.000 0.416 784 L N 0.365 121.709 121.223 0.202 0.000 2.211 784 L HA 0.400 4.740 4.340 -0.000 0.000 0.259 784 L C -1.893 175.071 176.870 0.156 0.000 1.031 784 L CA -2.397 52.504 54.840 0.101 0.000 0.877 784 L CB 1.643 43.404 42.059 -0.497 0.000 1.457 784 L HN -0.116 nan 8.230 nan 0.000 0.466 785 P HA 0.077 nan 4.420 nan 0.000 0.261 785 P C 0.226 177.641 177.300 0.192 0.000 1.352 785 P CA 0.564 63.644 63.100 -0.033 0.000 0.891 785 P CB -0.052 31.516 31.700 -0.219 0.000 1.383 786 H N -1.163 117.811 119.070 -0.159 0.000 2.507 786 H HA 0.336 4.892 4.556 -0.000 0.000 0.294 786 H C 0.049 175.388 175.328 0.019 0.000 1.064 786 H CA -0.340 55.624 56.048 -0.140 0.000 1.138 786 H CB -0.040 29.572 29.762 -0.252 0.000 1.515 786 H HN 0.148 nan 8.280 nan 0.000 0.547 787 F N 0.229 120.251 119.950 0.119 0.000 2.603 787 F HA 0.325 4.852 4.527 -0.000 0.000 0.317 787 F C 0.090 175.898 175.800 0.013 0.000 1.066 787 F CA -1.361 56.680 58.000 0.069 0.000 0.941 787 F CB 2.298 41.338 39.000 0.066 0.000 1.291 787 F HN -0.075 nan 8.300 nan 0.000 0.472 788 S N 1.794 117.609 115.700 0.190 0.000 2.537 788 S HA 0.234 4.704 4.470 -0.000 0.000 0.275 788 S C -0.227 174.387 174.600 0.024 0.000 1.272 788 S CA -0.870 57.374 58.200 0.074 0.000 1.050 788 S CB 1.051 64.280 63.200 0.048 0.000 0.961 788 S HN 0.385 nan 8.310 nan 0.000 0.496 789 K N 1.555 121.951 120.400 -0.007 0.000 2.505 789 K HA -0.087 4.233 4.320 -0.000 0.000 0.272 789 K C -0.303 176.285 176.600 -0.021 0.000 0.963 789 K CA 0.546 56.803 56.287 -0.050 0.000 0.932 789 K CB -0.077 32.407 32.500 -0.028 0.000 0.924 789 K HN 0.629 nan 8.250 nan 0.000 0.520 790 D N 0.970 121.358 120.400 -0.020 0.000 2.755 790 D HA -0.188 4.452 4.640 -0.000 0.000 0.227 790 D C -0.757 175.696 176.300 0.255 0.000 1.211 790 D CA 1.038 55.149 54.000 0.185 0.000 0.663 790 D CB -0.610 40.297 40.800 0.177 0.000 0.983 790 D HN 0.383 nan 8.370 nan 0.000 0.407 791 D N -0.112 120.401 120.400 0.189 0.000 2.308 791 D HA 0.217 4.857 4.640 -0.000 0.000 0.242 791 D C -0.420 176.088 176.300 0.347 0.000 1.059 791 D CA -0.653 53.459 54.000 0.188 0.000 0.830 791 D CB 0.693 41.450 40.800 -0.072 0.000 1.161 791 D HN 0.105 nan 8.370 nan 0.000 0.494 792 Y N 1.173 121.569 120.300 0.159 0.000 2.612 792 Y HA 0.113 4.663 4.550 -0.000 0.000 0.250 792 Y C 1.136 177.124 175.900 0.146 0.000 1.175 792 Y CA -0.476 57.755 58.100 0.219 0.000 1.205 792 Y CB 0.202 38.860 38.460 0.330 0.000 1.201 792 Y HN 0.276 nan 8.280 nan 0.000 0.532 793 S N 1.262 117.077 115.700 0.191 0.000 2.585 793 S HA 0.116 4.586 4.470 -0.000 0.000 0.273 793 S C -1.286 173.366 174.600 0.086 0.000 1.339 793 S CA -1.058 57.211 58.200 0.115 0.000 1.028 793 S CB 1.432 64.662 63.200 0.049 0.000 0.906 793 S HN 0.061 nan 8.310 nan 0.000 0.528 794 P HA -0.191 nan 4.420 nan 0.000 0.216 794 P C 0.680 178.116 177.300 0.227 0.000 1.157 794 P CA 1.587 64.749 63.100 0.103 0.000 0.880 794 P CB -0.189 31.498 31.700 -0.021 0.000 0.791 795 E N -0.400 119.923 120.200 0.204 0.000 2.501 795 E HA -0.071 4.279 4.350 -0.000 0.000 0.203 795 E C 1.893 178.696 176.600 0.339 0.000 1.072 795 E CA 0.966 57.527 56.400 0.269 0.000 0.885 795 E CB -0.514 29.297 29.700 0.185 0.000 0.813 795 E HN 0.292 nan 8.360 nan 0.000 0.556 796 S N -0.986 114.851 115.700 0.229 0.000 2.691 796 S HA 0.092 4.562 4.470 -0.000 0.000 0.258 796 S C 1.250 175.993 174.600 0.238 0.000 1.078 796 S CA -0.365 58.012 58.200 0.294 0.000 1.000 796 S CB 0.313 63.335 63.200 -0.297 0.000 0.942 796 S HN -0.076 nan 8.310 nan 0.000 0.521 797 K N 1.467 121.929 120.400 0.102 0.000 2.444 797 K HA 0.325 4.645 4.320 -0.000 0.000 0.193 797 K C 0.856 177.386 176.600 -0.118 0.000 1.024 797 K CA 0.747 57.005 56.287 -0.047 0.000 1.077 797 K CB 0.384 32.857 32.500 -0.045 0.000 0.833 797 K HN 0.560 nan 8.250 nan 0.000 0.517 798 G N 2.008 110.836 108.800 0.046 0.000 2.455 798 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.169 798 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.169 798 G C -0.789 174.275 174.900 0.274 0.000 1.074 798 G CA -0.645 44.560 45.100 0.174 0.000 0.796 798 G HN 0.209 nan 8.290 nan 0.000 0.489 799 F N 1.437 121.491 119.950 0.173 0.000 2.411 799 F HA 0.656 5.183 4.527 -0.000 0.000 0.352 799 F C 0.104 175.984 175.800 0.133 0.000 1.123 799 F CA -1.242 56.824 58.000 0.110 0.000 1.044 799 F CB 1.882 40.934 39.000 0.086 0.000 1.135 799 F HN 0.055 nan 8.300 nan 0.000 0.461 800 V N 7.570 127.167 119.914 -0.527 0.000 2.304 800 V HA 0.103 4.223 4.120 -0.000 0.000 0.262 800 V C 1.032 176.723 176.094 -0.672 0.000 1.061 800 V CA -0.189 61.873 62.300 -0.398 0.000 0.872 800 V CB 0.794 32.486 31.823 -0.220 0.000 1.077 800 V HN 0.942 nan 8.190 nan 0.000 0.480 801 E N 3.925 123.865 120.200 -0.433 0.000 2.268 801 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 801 E C 0.843 177.361 176.600 -0.137 0.000 0.995 801 E CA 0.424 56.688 56.400 -0.227 0.000 0.836 801 E CB 0.328 30.084 29.700 0.092 0.000 0.763 801 E HN 0.702 nan 8.360 nan 0.000 0.491 802 N N 0.748 119.372 118.700 -0.126 0.000 2.483 802 N HA 0.050 4.790 4.740 -0.000 0.000 0.269 802 N C -0.514 174.906 175.510 -0.150 0.000 1.209 802 N CA 0.135 53.133 53.050 -0.086 0.000 0.969 802 N CB 1.598 40.065 38.487 -0.034 0.000 1.173 802 N HN 0.033 nan 8.380 nan 0.000 0.475 803 S N -0.179 115.458 115.700 -0.104 0.000 2.654 803 S HA 0.302 4.772 4.470 -0.000 0.000 0.283 803 S C 1.012 175.575 174.600 -0.062 0.000 1.180 803 S CA -0.712 57.407 58.200 -0.135 0.000 1.021 803 S CB 0.639 63.803 63.200 -0.060 0.000 1.018 803 S HN 0.550 nan 8.310 nan 0.000 0.532 804 Y N 0.000 120.302 120.300 0.002 0.000 2.333 804 Y HA -0.114 4.436 4.550 -0.000 0.000 0.290 804 Y C 2.263 178.163 175.900 -0.000 0.000 1.144 804 Y CA 0.406 58.512 58.100 0.009 0.000 1.228 804 Y CB -0.017 38.449 38.460 0.009 0.000 0.985 804 Y HN 0.513 nan 8.280 nan 0.000 0.542 805 L N 0.857 122.165 121.223 0.142 0.000 1.994 805 L HA -0.210 4.129 4.340 -0.000 0.000 0.208 805 L C 2.126 179.030 176.870 0.057 0.000 1.071 805 L CA 1.897 56.783 54.840 0.077 0.000 0.745 805 L CB -0.848 41.239 42.059 0.046 0.000 0.892 805 L HN 0.202 nan 8.230 nan 0.000 0.431 806 R N -0.239 120.287 120.500 0.043 0.000 2.075 806 R HA 0.046 4.386 4.340 -0.000 0.000 0.230 806 R C 0.476 176.799 176.300 0.038 0.000 1.140 806 R CA 0.992 57.109 56.100 0.030 0.000 0.928 806 R CB -0.549 29.761 30.300 0.016 0.000 0.834 806 R HN 0.596 nan 8.270 nan 0.000 0.429 807 G N 0.018 108.852 108.800 0.057 0.000 3.313 807 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.659 807 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.659 807 G C -0.970 173.965 174.900 0.058 0.000 1.286 807 G CA -1.108 44.032 45.100 0.067 0.000 1.077 807 G HN 0.022 nan 8.290 nan 0.000 0.551 808 L N 1.443 122.726 121.223 0.100 0.000 2.489 808 L HA 0.477 4.817 4.340 -0.000 0.000 0.285 808 L C 1.870 178.780 176.870 0.065 0.000 1.259 808 L CA 1.164 56.068 54.840 0.107 0.000 0.828 808 L CB 0.278 42.469 42.059 0.221 0.000 1.094 808 L HN 0.983 nan 8.230 nan 0.000 0.524 809 T N -1.812 112.784 114.554 0.069 0.000 2.944 809 T HA 0.432 4.782 4.350 -0.000 0.000 0.284 809 T C -1.980 172.748 174.700 0.047 0.000 1.010 809 T CA -1.893 60.230 62.100 0.038 0.000 1.025 809 T CB 1.367 70.258 68.868 0.039 0.000 1.079 809 T HN 0.374 nan 8.240 nan 0.000 0.516 810 P HA -0.138 nan 4.420 nan 0.000 0.217 810 P C 1.248 178.523 177.300 -0.043 0.000 1.148 810 P CA 1.245 64.361 63.100 0.027 0.000 0.834 810 P CB 0.072 31.779 31.700 0.012 0.000 0.783 811 Q N -0.918 118.777 119.800 -0.174 0.000 2.134 811 Q HA -0.051 4.289 4.340 -0.000 0.000 0.195 811 Q C 2.096 177.748 176.000 -0.579 0.000 0.958 811 Q CA 1.103 56.574 55.803 -0.554 0.000 0.840 811 Q CB -0.772 27.658 28.738 -0.513 0.000 0.918 811 Q HN 0.327 nan 8.270 nan 0.000 0.467 812 E N 0.141 120.239 120.200 -0.169 0.000 2.070 812 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 812 E C 1.680 178.351 176.600 0.118 0.000 1.004 812 E CA 1.137 57.547 56.400 0.018 0.000 0.805 812 E CB -0.267 29.483 29.700 0.084 0.000 0.744 812 E HN 0.223 nan 8.360 nan 0.000 0.451 813 F N 0.889 120.831 119.950 -0.014 0.000 2.069 813 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 813 F C 2.111 177.955 175.800 0.072 0.000 1.113 813 F CA 1.562 59.583 58.000 0.035 0.000 1.214 813 F CB -0.541 38.468 39.000 0.014 0.000 0.978 813 F HN -0.041 nan 8.300 nan 0.000 0.474 814 F N -0.277 119.597 119.950 -0.127 0.000 2.171 814 F HA -0.185 4.342 4.527 -0.000 0.000 0.300 814 F C 2.140 177.933 175.800 -0.012 0.000 1.090 814 F CA 1.608 59.502 58.000 -0.177 0.000 1.293 814 F CB -0.582 38.330 39.000 -0.147 0.000 1.013 814 F HN 0.005 nan 8.300 nan 0.000 0.486 815 F N -1.438 118.645 119.950 0.222 0.000 2.146 815 F HA -0.254 4.273 4.527 -0.000 0.000 0.298 815 F C 2.711 178.524 175.800 0.022 0.000 1.096 815 F CA 0.833 58.912 58.000 0.133 0.000 1.275 815 F CB -0.780 38.308 39.000 0.146 0.000 1.008 815 F HN 0.060 nan 8.300 nan 0.000 0.480 816 H N 1.211 120.340 119.070 0.099 0.000 2.289 816 H HA -0.204 4.352 4.556 -0.000 0.000 0.296 816 H C 2.223 177.473 175.328 -0.130 0.000 1.091 816 H CA 1.740 57.780 56.048 -0.013 0.000 1.274 816 H CB -0.583 29.161 29.762 -0.030 0.000 1.364 816 H HN 0.208 nan 8.280 nan 0.000 0.490 817 A N 1.236 123.991 122.820 -0.108 0.000 1.903 817 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 817 A C 2.869 180.328 177.584 -0.207 0.000 1.191 817 A CA 2.402 54.262 52.037 -0.295 0.000 0.638 817 A CB -0.920 17.717 19.000 -0.605 0.000 0.823 817 A HN 0.534 nan 8.150 nan 0.000 0.451 818 M N -0.949 118.524 119.600 -0.212 0.000 2.149 818 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 818 M C 2.250 178.513 176.300 -0.063 0.000 1.064 818 M CA 1.530 56.746 55.300 -0.140 0.000 1.102 818 M CB -0.612 31.961 32.600 -0.045 0.000 1.369 818 M HN 0.549 nan 8.290 nan 0.000 0.408 819 G N -0.491 108.296 108.800 -0.020 0.000 2.408 819 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.215 819 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.215 819 G C 1.469 176.367 174.900 -0.004 0.000 1.156 819 G CA 0.754 45.842 45.100 -0.021 0.000 0.793 819 G HN 0.538 nan 8.290 nan 0.000 0.535 820 G N 1.036 109.862 108.800 0.043 0.000 2.434 820 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.214 820 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.214 820 G C 1.806 176.697 174.900 -0.014 0.000 1.202 820 G CA 1.134 46.261 45.100 0.044 0.000 0.788 820 G HN 0.470 nan 8.290 nan 0.000 0.539 821 R N 1.074 121.543 120.500 -0.052 0.000 2.244 821 R HA -0.147 4.193 4.340 -0.000 0.000 0.252 821 R C 2.113 178.386 176.300 -0.045 0.000 1.177 821 R CA 2.138 58.199 56.100 -0.065 0.000 1.004 821 R CB -0.516 29.723 30.300 -0.102 0.000 0.873 821 R HN 0.601 nan 8.270 nan 0.000 0.469 822 E N -1.111 119.068 120.200 -0.036 0.000 2.046 822 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 822 E C 1.858 178.446 176.600 -0.019 0.000 0.982 822 E CA 1.073 57.456 56.400 -0.028 0.000 0.800 822 E CB -0.497 29.188 29.700 -0.026 0.000 0.756 822 E HN 0.473 nan 8.360 nan 0.000 0.449 823 G N 1.999 110.791 108.800 -0.013 0.000 2.514 823 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.217 823 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.217 823 G C 1.595 176.488 174.900 -0.011 0.000 1.198 823 G CA 1.149 46.244 45.100 -0.007 0.000 0.780 823 G HN 0.273 nan 8.290 nan 0.000 0.565 824 L N 0.082 121.295 121.223 -0.015 0.000 2.270 824 L HA -0.147 4.193 4.340 -0.000 0.000 0.217 824 L C 2.743 179.601 176.870 -0.019 0.000 1.107 824 L CA 0.617 55.446 54.840 -0.019 0.000 0.772 824 L CB -0.421 41.622 42.059 -0.027 0.000 0.902 824 L HN 0.296 nan 8.230 nan 0.000 0.439 825 I N 0.211 120.769 120.570 -0.019 0.000 2.260 825 I HA -0.225 3.945 4.170 -0.000 0.000 0.237 825 I C 2.218 178.327 176.117 -0.013 0.000 1.075 825 I CA 1.386 62.675 61.300 -0.018 0.000 1.376 825 I CB -0.350 37.638 38.000 -0.019 0.000 1.107 825 I HN 0.319 nan 8.210 nan 0.000 0.420 826 D N -0.455 119.939 120.400 -0.011 0.000 2.263 826 D HA -0.219 4.421 4.640 -0.000 0.000 0.208 826 D C 1.905 178.202 176.300 -0.006 0.000 0.971 826 D CA 1.354 55.351 54.000 -0.006 0.000 0.867 826 D CB -0.692 40.106 40.800 -0.004 0.000 0.929 826 D HN 0.102 nan 8.370 nan 0.000 0.492 827 T N -1.215 113.335 114.554 -0.008 0.000 2.833 827 T HA -0.063 4.287 4.350 -0.000 0.000 0.269 827 T C 1.779 176.474 174.700 -0.009 0.000 1.054 827 T CA 1.537 63.632 62.100 -0.008 0.000 1.135 827 T CB -0.449 68.413 68.868 -0.009 0.000 0.869 827 T HN 0.374 nan 8.240 nan 0.000 0.466 828 A N -0.362 122.452 122.820 -0.010 0.000 2.218 828 A HA 0.317 4.637 4.320 -0.000 0.000 0.209 828 A C 2.099 179.678 177.584 -0.008 0.000 1.168 828 A CA 0.460 52.490 52.037 -0.010 0.000 0.804 828 A CB 0.085 19.077 19.000 -0.013 0.000 0.834 828 A HN 0.436 nan 8.150 nan 0.000 0.482 829 V N -0.908 119.003 119.914 -0.005 0.000 2.599 829 V HA -0.009 4.111 4.120 -0.000 0.000 0.237 829 V C 2.152 178.249 176.094 0.005 0.000 1.081 829 V CA 1.382 63.681 62.300 -0.002 0.000 1.107 829 V CB -0.610 31.212 31.823 -0.002 0.000 0.808 829 V HN 0.266 nan 8.190 nan 0.000 0.486 830 K N 0.635 121.037 120.400 0.005 0.000 2.127 830 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 830 K C 2.301 178.905 176.600 0.008 0.000 1.047 830 K CA 2.113 58.405 56.287 0.008 0.000 0.927 830 K CB -0.849 31.653 32.500 0.003 0.000 0.716 830 K HN 0.495 nan 8.250 nan 0.000 0.450 831 T N -0.931 113.625 114.554 0.002 0.000 2.777 831 T HA -0.053 4.297 4.350 -0.000 0.000 0.266 831 T C 1.703 176.409 174.700 0.009 0.000 1.040 831 T CA 1.421 63.521 62.100 0.000 0.000 1.141 831 T CB -0.160 68.704 68.868 -0.006 0.000 0.868 831 T HN 0.278 nan 8.240 nan 0.000 0.444 832 A N 0.420 123.246 122.820 0.011 0.000 1.903 832 A HA 0.139 4.459 4.320 -0.000 0.000 0.213 832 A C 2.165 179.778 177.584 0.048 0.000 1.185 832 A CA 1.522 53.571 52.037 0.019 0.000 0.628 832 A CB -0.669 18.331 19.000 0.000 0.000 0.830 832 A HN 0.648 nan 8.150 nan 0.000 0.446 833 E N -0.984 119.243 120.200 0.045 0.000 2.110 833 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 833 E C 1.978 178.636 176.600 0.097 0.000 0.988 833 E CA 1.504 57.950 56.400 0.077 0.000 0.804 833 E CB -0.091 29.640 29.700 0.052 0.000 0.745 833 E HN 0.540 nan 8.360 nan 0.000 0.458 834 T N -1.174 113.415 114.554 0.057 0.000 2.812 834 T HA -0.045 4.305 4.350 -0.000 0.000 0.264 834 T C 1.645 176.371 174.700 0.044 0.000 1.042 834 T CA 1.235 63.358 62.100 0.037 0.000 1.140 834 T CB -0.353 68.522 68.868 0.012 0.000 0.870 834 T HN 0.362 nan 8.240 nan 0.000 0.445 835 G N -0.651 108.182 108.800 0.056 0.000 2.422 835 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 835 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 835 G C 1.372 176.341 174.900 0.116 0.000 1.146 835 G CA 0.875 46.010 45.100 0.059 0.000 0.769 835 G HN 0.569 nan 8.290 nan 0.000 0.547 836 Y N 1.181 121.488 120.300 0.013 0.000 2.263 836 Y HA 0.087 4.637 4.550 -0.000 0.000 0.292 836 Y C 2.552 178.478 175.900 0.043 0.000 1.130 836 Y CA 0.478 58.601 58.100 0.038 0.000 1.179 836 Y CB -0.186 38.299 38.460 0.042 0.000 0.998 836 Y HN 0.167 nan 8.280 nan 0.000 0.532 837 I N -0.125 120.461 120.570 0.027 0.000 2.127 837 I HA -0.388 3.782 4.170 -0.000 0.000 0.241 837 I C 2.618 178.665 176.117 -0.116 0.000 1.075 837 I CA 1.702 62.957 61.300 -0.075 0.000 1.334 837 I CB -0.590 37.402 38.000 -0.013 0.000 1.040 837 I HN 0.288 nan 8.210 nan 0.000 0.405 838 Q N 0.832 120.591 119.800 -0.070 0.000 1.998 838 Q HA -0.321 4.019 4.340 -0.000 0.000 0.209 838 Q C 2.273 178.201 176.000 -0.119 0.000 1.002 838 Q CA 2.419 58.170 55.803 -0.087 0.000 0.858 838 Q CB -0.348 28.355 28.738 -0.057 0.000 0.932 838 Q HN 0.319 nan 8.270 nan 0.000 0.416 839 R N 0.315 120.761 120.500 -0.090 0.000 2.143 839 R HA -0.213 4.127 4.340 -0.000 0.000 0.239 839 R C 2.338 178.518 176.300 -0.200 0.000 1.126 839 R CA 2.494 58.538 56.100 -0.093 0.000 0.927 839 R CB -0.414 29.892 30.300 0.010 0.000 0.860 839 R HN 0.221 nan 8.270 nan 0.000 0.433 840 R N 0.073 120.411 120.500 -0.269 0.000 2.112 840 R HA -0.173 4.167 4.340 -0.000 0.000 0.242 840 R C 2.458 178.529 176.300 -0.381 0.000 1.137 840 R CA 2.200 58.102 56.100 -0.330 0.000 0.944 840 R CB -0.848 29.292 30.300 -0.267 0.000 0.857 840 R HN 0.258 nan 8.270 nan 0.000 0.435 841 L N 0.109 121.159 121.223 -0.288 0.000 1.963 841 L HA -0.280 4.059 4.340 -0.000 0.000 0.220 841 L C 2.408 179.080 176.870 -0.330 0.000 1.076 841 L CA 1.659 56.324 54.840 -0.292 0.000 0.772 841 L CB -0.757 41.181 42.059 -0.201 0.000 0.892 841 L HN 0.107 nan 8.230 nan 0.000 0.435 842 V N -0.540 119.221 119.914 -0.255 0.000 2.317 842 V HA -0.316 3.804 4.120 -0.000 0.000 0.251 842 V C 2.478 178.403 176.094 -0.283 0.000 1.065 842 V CA 1.738 63.902 62.300 -0.227 0.000 1.049 842 V CB -0.660 31.065 31.823 -0.163 0.000 0.651 842 V HN 0.391 nan 8.190 nan 0.000 0.450 843 K N -0.113 120.072 120.400 -0.358 0.000 2.366 843 K HA 0.124 4.444 4.320 -0.000 0.000 0.198 843 K C 2.033 178.266 176.600 -0.611 0.000 1.044 843 K CA 1.123 57.176 56.287 -0.390 0.000 0.973 843 K CB -0.288 31.930 32.500 -0.470 0.000 0.767 843 K HN 0.521 nan 8.250 nan 0.000 0.475 844 A N 0.128 122.390 122.820 -0.929 0.000 2.123 844 A HA 0.076 4.396 4.320 -0.000 0.000 0.214 844 A C 1.619 178.813 177.584 -0.648 0.000 1.152 844 A CA 0.585 51.789 52.037 -1.389 0.000 0.728 844 A CB 0.040 18.199 19.000 -1.401 0.000 0.814 844 A HN 0.211 nan 8.150 nan 0.000 0.464 845 L N -1.751 119.226 121.223 -0.410 0.000 3.086 845 L HA 0.176 4.516 4.340 -0.000 0.000 0.274 845 L C 1.348 178.116 176.870 -0.169 0.000 1.184 845 L CA -0.088 54.608 54.840 -0.240 0.000 1.002 845 L CB -0.176 41.767 42.059 -0.194 0.000 1.383 845 L HN 0.247 nan 8.230 nan 0.000 0.582 846 E N 1.954 122.049 120.200 -0.175 0.000 2.144 846 E HA -0.344 4.006 4.350 -0.000 0.000 0.243 846 E C 1.214 177.757 176.600 -0.096 0.000 1.043 846 E CA 2.330 58.655 56.400 -0.124 0.000 0.952 846 E CB -0.391 29.247 29.700 -0.103 0.000 0.849 846 E HN 0.600 nan 8.360 nan 0.000 0.522 847 D N 1.018 121.373 120.400 -0.075 0.000 2.393 847 D HA -0.155 4.485 4.640 -0.000 0.000 0.220 847 D C 0.608 176.884 176.300 -0.041 0.000 0.974 847 D CA 0.731 54.700 54.000 -0.051 0.000 0.931 847 D CB -0.594 40.191 40.800 -0.024 0.000 0.889 847 D HN 0.213 nan 8.370 nan 0.000 0.512 848 I N 1.020 121.560 120.570 -0.051 0.000 2.452 848 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 848 I C 0.561 176.641 176.117 -0.062 0.000 1.079 848 I CA -0.201 61.081 61.300 -0.030 0.000 1.387 848 I CB 0.309 38.292 38.000 -0.028 0.000 1.404 848 I HN 0.036 nan 8.210 nan 0.000 0.522 849 M N 4.932 124.489 119.600 -0.072 0.000 2.569 849 M HA 0.548 5.028 4.480 -0.000 0.000 0.279 849 M C -1.569 174.640 176.300 -0.151 0.000 1.253 849 M CA -0.928 54.270 55.300 -0.171 0.000 0.867 849 M CB 2.099 34.539 32.600 -0.268 0.000 1.727 849 M HN 0.033 nan 8.290 nan 0.000 0.467 850 V N 3.235 123.022 119.914 -0.212 0.000 2.427 850 V HA 0.240 4.360 4.120 -0.000 0.000 0.268 850 V C 0.067 176.065 176.094 -0.161 0.000 1.046 850 V CA 0.071 62.292 62.300 -0.133 0.000 0.970 850 V CB -0.026 31.671 31.823 -0.210 0.000 1.001 850 V HN 0.717 nan 8.190 nan 0.000 0.476 851 H N 4.268 123.292 119.070 -0.077 0.000 2.508 851 H HA 0.137 4.693 4.556 -0.000 0.000 0.358 851 H C 0.462 175.774 175.328 -0.026 0.000 1.212 851 H CA -0.277 55.732 56.048 -0.066 0.000 1.356 851 H CB 0.985 30.749 29.762 0.004 0.000 1.525 851 H HN 0.628 nan 8.280 nan 0.000 0.578 852 Y N 0.656 121.055 120.300 0.165 0.000 2.617 852 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 852 Y C 1.388 177.339 175.900 0.085 0.000 1.162 852 Y CA 1.221 59.383 58.100 0.104 0.000 1.399 852 Y CB -0.028 38.492 38.460 0.100 0.000 0.962 852 Y HN 0.629 nan 8.280 nan 0.000 0.576 853 D N -2.959 117.580 120.400 0.232 0.000 2.402 853 D HA 0.024 4.664 4.640 -0.000 0.000 0.216 853 D C 0.372 176.753 176.300 0.136 0.000 1.128 853 D CA 0.075 54.172 54.000 0.162 0.000 0.833 853 D CB -0.307 40.573 40.800 0.132 0.000 0.971 853 D HN 0.085 nan 8.370 nan 0.000 0.503 854 N N -1.162 117.616 118.700 0.129 0.000 2.965 854 N HA -0.179 4.561 4.740 -0.000 0.000 0.232 854 N C -0.177 175.413 175.510 0.133 0.000 0.913 854 N CA 1.247 54.366 53.050 0.115 0.000 0.981 854 N CB -1.571 36.983 38.487 0.111 0.000 1.077 854 N HN 0.419 nan 8.380 nan 0.000 0.589 855 T N 0.241 114.872 114.554 0.128 0.000 2.828 855 T HA 0.316 4.666 4.350 -0.000 0.000 0.290 855 T C 0.068 174.827 174.700 0.099 0.000 1.019 855 T CA 0.603 62.762 62.100 0.099 0.000 1.031 855 T CB 0.909 69.812 68.868 0.059 0.000 1.001 855 T HN 0.077 nan 8.240 nan 0.000 0.531 856 T N 4.563 119.148 114.554 0.052 0.000 2.833 856 T HA 0.538 4.888 4.350 -0.000 0.000 0.297 856 T C -0.519 174.201 174.700 0.032 0.000 1.015 856 T CA -0.602 61.547 62.100 0.081 0.000 0.963 856 T CB 0.379 69.316 68.868 0.116 0.000 0.955 856 T HN 0.538 nan 8.240 nan 0.000 0.449 857 R N 2.311 122.878 120.500 0.112 0.000 2.888 857 R HA 0.553 4.893 4.340 -0.000 0.000 0.264 857 R C 0.177 176.532 176.300 0.092 0.000 1.045 857 R CA -1.165 54.956 56.100 0.035 0.000 0.962 857 R CB 1.694 31.931 30.300 -0.105 0.000 1.210 857 R HN 0.690 nan 8.270 nan 0.000 0.479 858 N N -1.203 117.517 118.700 0.034 0.000 2.593 858 N HA 0.060 4.800 4.740 -0.000 0.000 0.304 858 N C 0.407 175.951 175.510 0.057 0.000 1.296 858 N CA -0.564 52.508 53.050 0.037 0.000 0.950 858 N CB 0.642 39.132 38.487 0.005 0.000 1.127 858 N HN 0.520 nan 8.380 nan 0.000 0.587 859 S N -1.010 114.712 115.700 0.037 0.000 2.660 859 S HA 0.061 4.531 4.470 -0.000 0.000 0.228 859 S C 1.346 175.961 174.600 0.024 0.000 0.966 859 S CA 0.032 58.255 58.200 0.038 0.000 0.940 859 S CB -0.573 62.642 63.200 0.025 0.000 0.773 859 S HN 0.517 nan 8.310 nan 0.000 0.535 860 L N -0.421 120.809 121.223 0.011 0.000 2.642 860 L HA 0.397 4.737 4.340 -0.000 0.000 0.233 860 L C 1.977 178.834 176.870 -0.022 0.000 1.077 860 L CA 0.555 55.396 54.840 0.002 0.000 0.879 860 L CB 0.081 42.144 42.059 0.006 0.000 1.151 860 L HN 0.554 nan 8.230 nan 0.000 0.495 861 G N -0.098 108.674 108.800 -0.046 0.000 2.259 861 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 861 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 861 G C 0.131 174.976 174.900 -0.091 0.000 1.001 861 G CA -0.210 44.826 45.100 -0.106 0.000 0.627 861 G HN 0.331 nan 8.290 nan 0.000 0.501 862 N N 1.325 119.993 118.700 -0.053 0.000 2.236 862 N HA 0.278 5.018 4.740 -0.000 0.000 0.274 862 N C 0.747 176.203 175.510 -0.091 0.000 1.339 862 N CA 0.585 53.604 53.050 -0.052 0.000 0.845 862 N CB 0.826 39.299 38.487 -0.024 0.000 1.091 862 N HN 0.411 nan 8.380 nan 0.000 0.489 863 V N 3.596 123.426 119.914 -0.141 0.000 2.872 863 V HA 0.003 4.123 4.120 -0.000 0.000 0.307 863 V C 1.649 177.604 176.094 -0.231 0.000 1.072 863 V CA 0.445 62.590 62.300 -0.258 0.000 1.148 863 V CB 0.578 32.105 31.823 -0.494 0.000 0.954 863 V HN 0.646 nan 8.190 nan 0.000 0.490 864 I N 0.991 121.427 120.570 -0.223 0.000 3.873 864 I HA 0.181 4.351 4.170 -0.000 0.000 0.284 864 I C 0.541 176.580 176.117 -0.130 0.000 1.186 864 I CA 0.279 61.502 61.300 -0.128 0.000 1.362 864 I CB 0.630 38.599 38.000 -0.052 0.000 1.432 864 I HN 0.569 nan 8.210 nan 0.000 0.454 865 Q N -0.191 119.530 119.800 -0.133 0.000 2.347 865 Q HA 0.350 4.690 4.340 -0.000 0.000 0.271 865 Q C -0.428 175.503 176.000 -0.115 0.000 1.064 865 Q CA -0.532 55.246 55.803 -0.041 0.000 0.800 865 Q CB 2.742 31.521 28.738 0.068 0.000 1.304 865 Q HN 0.064 nan 8.270 nan 0.000 0.438 866 F N 0.635 120.626 119.950 0.068 0.000 2.293 866 F HA 0.049 4.576 4.527 -0.000 0.000 0.297 866 F C 0.687 176.533 175.800 0.077 0.000 1.089 866 F CA 0.774 58.813 58.000 0.064 0.000 1.377 866 F CB 0.568 39.597 39.000 0.048 0.000 1.051 866 F HN 0.372 nan 8.300 nan 0.000 0.511 867 I N -1.306 119.408 120.570 0.239 0.000 2.478 867 I HA 0.126 4.295 4.170 -0.000 0.000 0.287 867 I C -0.846 175.375 176.117 0.173 0.000 1.042 867 I CA -1.373 60.038 61.300 0.185 0.000 1.067 867 I CB 0.950 39.041 38.000 0.151 0.000 1.233 867 I HN -0.137 nan 8.210 nan 0.000 0.431 868 Y N 6.764 127.101 120.300 0.062 0.000 2.881 868 Y HA 0.245 4.795 4.550 -0.000 0.000 0.335 868 Y C 1.460 177.394 175.900 0.057 0.000 1.263 868 Y CA 1.151 59.281 58.100 0.050 0.000 1.572 868 Y CB 0.124 38.602 38.460 0.031 0.000 1.237 868 Y HN 0.903 nan 8.280 nan 0.000 0.568 869 G N 4.560 113.073 108.800 -0.479 0.000 2.203 869 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.263 869 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.263 869 G C 0.550 175.370 174.900 -0.134 0.000 1.012 869 G CA 0.757 45.615 45.100 -0.403 0.000 0.749 869 G HN 0.978 nan 8.290 nan 0.000 0.512 870 E N -2.102 118.082 120.200 -0.028 0.000 3.760 870 E HA -0.325 4.025 4.350 -0.000 0.000 0.317 870 E C 1.230 177.824 176.600 -0.009 0.000 0.730 870 E CA 1.871 58.276 56.400 0.009 0.000 1.106 870 E CB -0.669 29.025 29.700 -0.011 0.000 1.574 870 E HN 0.814 nan 8.360 nan 0.000 0.451 871 D N -1.344 119.034 120.400 -0.035 0.000 2.510 871 D HA 0.120 4.760 4.640 -0.000 0.000 0.234 871 D C 1.290 177.595 176.300 0.009 0.000 1.178 871 D CA 1.031 55.023 54.000 -0.013 0.000 0.816 871 D CB 0.142 40.918 40.800 -0.040 0.000 1.143 871 D HN 0.307 nan 8.370 nan 0.000 0.526 872 G N 0.874 109.698 108.800 0.040 0.000 2.189 872 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 872 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 872 G C 0.090 175.031 174.900 0.068 0.000 0.975 872 G CA 0.784 45.940 45.100 0.093 0.000 0.644 872 G HN 0.335 nan 8.290 nan 0.000 0.537 873 M N 1.023 120.636 119.600 0.023 0.000 2.314 873 M HA 0.511 4.990 4.480 -0.000 0.000 0.342 873 M C 0.015 176.404 176.300 0.149 0.000 1.171 873 M CA -1.785 53.511 55.300 -0.006 0.000 1.098 873 M CB 1.299 33.844 32.600 -0.092 0.000 1.559 873 M HN 0.183 nan 8.290 nan 0.000 0.459 874 D N 2.012 122.508 120.400 0.161 0.000 2.339 874 D HA 0.385 5.025 4.640 -0.000 0.000 0.241 874 D C 0.793 177.199 176.300 0.177 0.000 1.183 874 D CA 0.035 54.174 54.000 0.231 0.000 0.859 874 D CB 0.919 41.881 40.800 0.270 0.000 1.067 874 D HN 0.676 nan 8.370 nan 0.000 0.484 875 A N 4.095 127.005 122.820 0.151 0.000 2.104 875 A HA -0.169 4.151 4.320 -0.000 0.000 0.223 875 A C 2.091 179.695 177.584 0.034 0.000 1.164 875 A CA 2.007 54.086 52.037 0.069 0.000 0.659 875 A CB -0.655 18.365 19.000 0.034 0.000 0.808 875 A HN 0.703 nan 8.150 nan 0.000 0.465 876 A N -1.557 121.255 122.820 -0.012 0.000 2.067 876 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 876 A C 1.321 178.770 177.584 -0.225 0.000 1.158 876 A CA 0.926 52.873 52.037 -0.150 0.000 0.661 876 A CB -0.509 18.336 19.000 -0.258 0.000 0.801 876 A HN 0.643 nan 8.150 nan 0.000 0.452 877 H N -0.349 118.743 119.070 0.036 0.000 2.498 877 H HA 0.507 5.063 4.556 -0.000 0.000 0.239 877 H C -0.850 174.490 175.328 0.019 0.000 1.586 877 H CA 0.041 56.102 56.048 0.021 0.000 1.164 877 H CB -0.392 29.354 29.762 -0.027 0.000 1.597 877 H HN 0.336 nan 8.280 nan 0.000 0.516 878 I N 0.765 121.416 120.570 0.135 0.000 2.752 878 I HA 0.255 4.425 4.170 -0.000 0.000 0.295 878 I C -0.445 175.777 176.117 0.175 0.000 1.219 878 I CA -0.709 60.668 61.300 0.129 0.000 1.030 878 I CB 3.018 41.081 38.000 0.105 0.000 1.259 878 I HN 0.130 nan 8.210 nan 0.000 0.423 879 E N 3.033 123.329 120.200 0.159 0.000 2.433 879 E HA 0.432 4.782 4.350 -0.000 0.000 0.273 879 E C -1.337 175.348 176.600 0.142 0.000 0.950 879 E CA -1.207 55.297 56.400 0.173 0.000 0.796 879 E CB 2.833 32.593 29.700 0.099 0.000 1.330 879 E HN 0.344 nan 8.360 nan 0.000 0.455 880 K N 1.534 122.004 120.400 0.117 0.000 2.322 880 K HA 0.151 4.470 4.320 -0.000 0.000 0.283 880 K C -0.783 175.866 176.600 0.083 0.000 1.042 880 K CA 0.238 56.570 56.287 0.074 0.000 0.958 880 K CB 0.558 33.066 32.500 0.013 0.000 0.984 880 K HN 0.344 nan 8.250 nan 0.000 0.473 881 Q N 1.614 121.482 119.800 0.113 0.000 2.315 881 Q HA 0.167 4.506 4.340 -0.000 0.000 0.273 881 Q C -1.171 174.916 176.000 0.145 0.000 1.053 881 Q CA -0.832 55.041 55.803 0.117 0.000 0.817 881 Q CB 2.211 31.033 28.738 0.140 0.000 1.326 881 Q HN 0.727 nan 8.270 nan 0.000 0.423 882 S N 2.224 117.994 115.700 0.118 0.000 2.537 882 S HA 0.444 4.914 4.470 -0.000 0.000 0.275 882 S C -0.037 174.662 174.600 0.165 0.000 1.272 882 S CA -0.658 57.628 58.200 0.143 0.000 1.050 882 S CB 0.378 63.635 63.200 0.096 0.000 0.961 882 S HN 0.589 nan 8.310 nan 0.000 0.496 883 L N 4.070 125.419 121.223 0.210 0.000 2.449 883 L HA 0.233 4.572 4.340 -0.000 0.000 0.255 883 L C 0.898 177.866 176.870 0.164 0.000 1.167 883 L CA -0.588 54.359 54.840 0.178 0.000 1.090 883 L CB -0.353 41.824 42.059 0.197 0.000 1.385 883 L HN 0.799 nan 8.230 nan 0.000 0.411 884 D N 0.767 121.264 120.400 0.163 0.000 2.653 884 D HA -0.300 4.339 4.640 -0.000 0.000 0.199 884 D C 1.675 178.085 176.300 0.184 0.000 1.042 884 D CA 2.409 56.520 54.000 0.185 0.000 0.876 884 D CB -0.139 40.810 40.800 0.247 0.000 1.010 884 D HN 0.454 nan 8.370 nan 0.000 0.473 885 T N 1.400 116.047 114.554 0.156 0.000 2.701 885 T HA -0.256 4.094 4.350 -0.000 0.000 0.265 885 T C 2.048 176.805 174.700 0.095 0.000 1.032 885 T CA 1.304 63.467 62.100 0.104 0.000 1.158 885 T CB -0.483 68.400 68.868 0.025 0.000 0.854 885 T HN 0.239 nan 8.240 nan 0.000 0.463 886 I N 0.129 120.763 120.570 0.107 0.000 2.142 886 I HA -0.045 4.125 4.170 -0.000 0.000 0.240 886 I C 1.785 178.011 176.117 0.182 0.000 1.078 886 I CA 1.308 62.681 61.300 0.122 0.000 1.343 886 I CB -0.545 37.554 38.000 0.164 0.000 1.046 886 I HN 0.340 nan 8.210 nan 0.000 0.405 887 G N -0.736 108.178 108.800 0.189 0.000 2.504 887 G HA2 0.423 4.383 3.960 -0.000 0.000 0.257 887 G HA3 0.423 4.383 3.960 -0.000 0.000 0.257 887 G C -0.019 174.992 174.900 0.185 0.000 1.451 887 G CA 0.132 45.369 45.100 0.228 0.000 1.059 887 G HN 0.771 nan 8.290 nan 0.000 0.550 888 G N -1.614 107.288 108.800 0.170 0.000 2.797 888 G HA2 0.239 4.199 3.960 -0.000 0.000 0.686 888 G HA3 0.239 4.199 3.960 -0.000 0.000 0.686 888 G C 0.234 175.193 174.900 0.099 0.000 1.452 888 G CA 0.331 45.515 45.100 0.139 0.000 0.986 888 G HN 1.912 nan 8.290 nan 0.000 0.595 889 S N 0.552 116.303 115.700 0.085 0.000 2.576 889 S HA 0.363 4.833 4.470 -0.000 0.000 0.276 889 S C 1.150 175.796 174.600 0.076 0.000 1.339 889 S CA 0.402 58.631 58.200 0.048 0.000 1.039 889 S CB 1.563 64.792 63.200 0.048 0.000 0.902 889 S HN 0.605 nan 8.310 nan 0.000 0.516 890 D N 2.018 122.433 120.400 0.024 0.000 2.239 890 D HA -0.180 4.460 4.640 -0.000 0.000 0.202 890 D C 2.016 178.410 176.300 0.156 0.000 0.993 890 D CA 1.665 55.696 54.000 0.051 0.000 0.874 890 D CB -0.491 40.307 40.800 -0.004 0.000 0.922 890 D HN 0.726 nan 8.370 nan 0.000 0.464 891 A N 1.875 124.763 122.820 0.113 0.000 1.844 891 A HA -0.112 4.208 4.320 -0.000 0.000 0.214 891 A C 2.472 180.150 177.584 0.158 0.000 1.217 891 A CA 2.480 54.587 52.037 0.117 0.000 0.644 891 A CB -1.212 17.834 19.000 0.078 0.000 0.850 891 A HN 0.230 nan 8.150 nan 0.000 0.456 892 A N -1.722 121.182 122.820 0.139 0.000 2.042 892 A HA -0.165 4.155 4.320 -0.000 0.000 0.222 892 A C 2.000 179.717 177.584 0.222 0.000 1.167 892 A CA 2.082 54.206 52.037 0.145 0.000 0.649 892 A CB -0.854 18.219 19.000 0.123 0.000 0.809 892 A HN 0.813 nan 8.150 nan 0.000 0.457 893 F N 0.653 120.669 119.950 0.111 0.000 2.026 893 F HA -0.218 4.309 4.527 -0.000 0.000 0.296 893 F C 2.287 178.232 175.800 0.242 0.000 1.133 893 F CA 2.410 60.486 58.000 0.128 0.000 1.188 893 F CB -0.534 38.468 39.000 0.004 0.000 0.968 893 F HN 0.460 nan 8.300 nan 0.000 0.476 894 E N 0.528 120.955 120.200 0.379 0.000 2.070 894 E HA -0.359 3.991 4.350 -0.000 0.000 0.197 894 E C 2.285 178.990 176.600 0.175 0.000 1.004 894 E CA 1.837 58.442 56.400 0.342 0.000 0.805 894 E CB -0.452 29.445 29.700 0.327 0.000 0.744 894 E HN 0.488 nan 8.360 nan 0.000 0.451 895 K N 0.237 120.704 120.400 0.111 0.000 2.360 895 K HA -0.175 4.145 4.320 -0.000 0.000 0.201 895 K C 2.217 178.802 176.600 -0.026 0.000 1.046 895 K CA 1.090 57.383 56.287 0.012 0.000 0.945 895 K CB 0.026 32.525 32.500 -0.001 0.000 0.750 895 K HN 0.026 nan 8.250 nan 0.000 0.464 896 R N -1.162 119.343 120.500 0.007 0.000 2.142 896 R HA 0.021 4.361 4.340 -0.000 0.000 0.204 896 R C 1.012 177.147 176.300 -0.276 0.000 1.059 896 R CA 0.495 56.509 56.100 -0.143 0.000 1.055 896 R CB 0.194 30.400 30.300 -0.156 0.000 0.976 896 R HN 0.179 nan 8.270 nan 0.000 0.483 897 Y N -0.137 120.030 120.300 -0.220 0.000 2.449 897 Y HA 0.297 4.847 4.550 -0.000 0.000 0.254 897 Y C 0.379 176.322 175.900 0.072 0.000 1.140 897 Y CA -0.376 57.616 58.100 -0.180 0.000 1.272 897 Y CB 0.150 38.336 38.460 -0.456 0.000 1.114 897 Y HN -0.163 nan 8.280 nan 0.000 0.525 898 R N 1.294 121.951 120.500 0.262 0.000 2.340 898 R HA 0.481 4.821 4.340 -0.000 0.000 0.300 898 R C -1.479 174.826 176.300 0.008 0.000 1.069 898 R CA -0.283 55.882 56.100 0.109 0.000 0.984 898 R CB 0.324 30.601 30.300 -0.037 0.000 1.003 898 R HN -0.083 nan 8.270 nan 0.000 0.459 899 V N 4.884 124.782 119.914 -0.027 0.000 2.524 899 V HA 0.279 4.399 4.120 -0.000 0.000 0.297 899 V C -1.109 174.958 176.094 -0.045 0.000 1.035 899 V CA -0.870 61.415 62.300 -0.024 0.000 0.867 899 V CB 1.798 33.611 31.823 -0.017 0.000 1.004 899 V HN 0.732 nan 8.190 nan 0.000 0.426 900 D N 4.136 124.522 120.400 -0.022 0.000 2.462 900 D HA 0.412 5.052 4.640 -0.000 0.000 0.245 900 D C 0.637 176.923 176.300 -0.023 0.000 1.122 900 D CA -0.324 53.652 54.000 -0.041 0.000 0.864 900 D CB 1.927 42.694 40.800 -0.056 0.000 1.098 900 D HN 0.414 nan 8.370 nan 0.000 0.541 901 L N 2.919 124.124 121.223 -0.030 0.000 2.478 901 L HA 0.087 4.427 4.340 -0.000 0.000 0.223 901 L C 1.436 178.290 176.870 -0.027 0.000 1.140 901 L CA 0.544 55.369 54.840 -0.025 0.000 0.842 901 L CB 0.096 42.140 42.059 -0.026 0.000 0.953 901 L HN 0.363 nan 8.230 nan 0.000 0.452 902 L N -0.141 121.060 121.223 -0.036 0.000 2.928 902 L HA 0.245 4.584 4.340 -0.000 0.000 0.236 902 L C -0.133 176.709 176.870 -0.046 0.000 1.290 902 L CA 0.062 54.879 54.840 -0.039 0.000 1.099 902 L CB -0.613 41.420 42.059 -0.043 0.000 1.437 902 L HN 0.247 nan 8.230 nan 0.000 0.493 903 N N -1.391 117.287 118.700 -0.037 0.000 2.718 903 N HA 0.066 4.806 4.740 -0.000 0.000 0.260 903 N C 0.417 175.927 175.510 -0.000 0.000 1.089 903 N CA -0.184 52.842 53.050 -0.040 0.000 1.021 903 N CB 1.496 39.926 38.487 -0.094 0.000 1.618 903 N HN -0.161 nan 8.380 nan 0.000 0.554 904 T N 1.012 115.567 114.554 0.002 0.000 3.077 904 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 904 T C 0.383 175.112 174.700 0.048 0.000 1.146 904 T CA 1.027 63.137 62.100 0.017 0.000 1.091 904 T CB -0.079 68.793 68.868 0.007 0.000 0.892 904 T HN 0.533 nan 8.240 nan 0.000 0.533 905 D N -0.125 120.340 120.400 0.109 0.000 2.431 905 D HA 0.042 4.682 4.640 -0.000 0.000 0.227 905 D C 0.659 177.123 176.300 0.273 0.000 1.030 905 D CA 0.647 54.768 54.000 0.201 0.000 0.897 905 D CB 0.064 41.033 40.800 0.281 0.000 1.058 905 D HN 0.398 nan 8.370 nan 0.000 0.500 906 H N -0.271 118.775 119.070 -0.041 0.000 2.472 906 H HA 0.333 4.889 4.556 -0.000 0.000 0.287 906 H C 0.025 175.320 175.328 -0.055 0.000 1.112 906 H CA -0.334 55.684 56.048 -0.050 0.000 1.021 906 H CB 0.216 29.942 29.762 -0.062 0.000 1.635 906 H HN -0.141 nan 8.280 nan 0.000 0.559 907 T N 0.028 114.616 114.554 0.056 0.000 2.910 907 T HA 0.466 4.816 4.350 -0.000 0.000 0.279 907 T C 0.109 174.799 174.700 -0.016 0.000 0.989 907 T CA -0.777 61.329 62.100 0.009 0.000 0.968 907 T CB 0.715 69.584 68.868 0.001 0.000 1.135 907 T HN 0.183 nan 8.240 nan 0.000 0.562 908 L N 3.045 124.252 121.223 -0.027 0.000 2.325 908 L HA 0.255 4.595 4.340 -0.000 0.000 0.284 908 L C 0.656 177.506 176.870 -0.033 0.000 1.089 908 L CA -0.559 54.257 54.840 -0.040 0.000 0.836 908 L CB 0.541 42.572 42.059 -0.046 0.000 1.184 908 L HN 0.671 nan 8.230 nan 0.000 0.444 909 D N 7.183 127.562 120.400 -0.035 0.000 2.493 909 D HA -0.021 4.619 4.640 -0.000 0.000 0.240 909 D C -1.487 174.797 176.300 -0.027 0.000 1.142 909 D CA -1.121 52.862 54.000 -0.028 0.000 0.872 909 D CB 1.499 42.281 40.800 -0.031 0.000 1.173 909 D HN 0.325 nan 8.370 nan 0.000 0.467 910 P HA -0.104 nan 4.420 nan 0.000 0.236 910 P C 0.937 178.226 177.300 -0.018 0.000 1.172 910 P CA 0.489 63.577 63.100 -0.021 0.000 0.759 910 P CB 0.024 31.714 31.700 -0.017 0.000 0.843 911 S N -0.913 114.777 115.700 -0.018 0.000 2.446 911 S HA 0.007 4.477 4.470 -0.000 0.000 0.225 911 S C 1.924 176.516 174.600 -0.013 0.000 1.016 911 S CA 0.180 58.373 58.200 -0.012 0.000 0.943 911 S CB -1.151 62.043 63.200 -0.010 0.000 0.786 911 S HN 0.110 nan 8.310 nan 0.000 0.508 912 L N 0.003 121.213 121.223 -0.023 0.000 2.084 912 L HA 0.325 4.664 4.340 -0.000 0.000 0.202 912 L C 1.309 178.161 176.870 -0.030 0.000 1.074 912 L CA 0.286 55.109 54.840 -0.028 0.000 0.757 912 L CB -0.645 41.387 42.059 -0.045 0.000 0.918 912 L HN 0.315 nan 8.230 nan 0.000 0.444 913 L N -0.565 120.636 121.223 -0.037 0.000 2.440 913 L HA 0.204 4.544 4.340 -0.000 0.000 0.262 913 L C 1.014 177.866 176.870 -0.031 0.000 1.072 913 L CA 0.298 55.113 54.840 -0.042 0.000 0.798 913 L CB 1.085 43.114 42.059 -0.050 0.000 1.307 913 L HN 0.061 nan 8.230 nan 0.000 0.475 914 E N -0.778 119.403 120.200 -0.033 0.000 2.094 914 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 914 E C 1.151 177.736 176.600 -0.025 0.000 0.950 914 E CA 0.818 57.203 56.400 -0.025 0.000 0.842 914 E CB 0.120 29.805 29.700 -0.025 0.000 0.816 914 E HN 0.782 nan 8.360 nan 0.000 0.465 915 S N -0.093 115.589 115.700 -0.029 0.000 2.942 915 S HA 0.113 4.583 4.470 -0.000 0.000 0.244 915 S C 1.456 176.040 174.600 -0.028 0.000 1.011 915 S CA 0.129 58.313 58.200 -0.027 0.000 1.102 915 S CB 0.144 63.325 63.200 -0.031 0.000 0.812 915 S HN 0.350 nan 8.310 nan 0.000 0.486 916 G N 2.128 110.912 108.800 -0.027 0.000 2.443 916 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.219 916 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.219 916 G C 1.590 176.477 174.900 -0.022 0.000 1.131 916 G CA 0.825 45.910 45.100 -0.026 0.000 0.775 916 G HN 0.765 nan 8.290 nan 0.000 0.547 917 S N 1.017 116.706 115.700 -0.018 0.000 2.427 917 S HA -0.019 4.450 4.470 -0.000 0.000 0.224 917 S C 1.903 176.494 174.600 -0.016 0.000 1.047 917 S CA 1.006 59.197 58.200 -0.015 0.000 0.953 917 S CB -0.281 62.911 63.200 -0.013 0.000 0.824 917 S HN 0.625 nan 8.310 nan 0.000 0.502 918 E N 0.675 120.866 120.200 -0.016 0.000 2.512 918 E HA 0.229 4.579 4.350 -0.000 0.000 0.195 918 E C 1.557 178.147 176.600 -0.018 0.000 1.083 918 E CA 0.163 56.553 56.400 -0.016 0.000 0.873 918 E CB -0.290 29.401 29.700 -0.015 0.000 0.897 918 E HN 0.655 nan 8.360 nan 0.000 0.514 919 I N 0.300 120.858 120.570 -0.020 0.000 2.927 919 I HA 0.092 4.262 4.170 -0.000 0.000 0.268 919 I C 0.829 176.933 176.117 -0.021 0.000 1.153 919 I CA -0.296 60.990 61.300 -0.022 0.000 1.459 919 I CB 0.536 38.520 38.000 -0.027 0.000 1.149 919 I HN 0.191 nan 8.210 nan 0.000 0.443 920 L N 2.634 123.846 121.223 -0.019 0.000 2.700 920 L HA 0.003 4.343 4.340 -0.000 0.000 0.276 920 L C 1.037 177.896 176.870 -0.018 0.000 1.200 920 L CA 1.174 56.003 54.840 -0.018 0.000 0.951 920 L CB -0.108 41.941 42.059 -0.015 0.000 1.226 920 L HN 0.620 nan 8.230 nan 0.000 0.489 921 G N 2.734 111.523 108.800 -0.020 0.000 2.194 921 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.236 921 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.236 921 G C 0.287 175.175 174.900 -0.019 0.000 0.987 921 G CA 0.134 45.222 45.100 -0.020 0.000 0.635 921 G HN 0.754 nan 8.290 nan 0.000 0.520 922 D N 1.391 121.779 120.400 -0.019 0.000 2.429 922 D HA 0.208 4.848 4.640 -0.000 0.000 0.253 922 D C 1.968 178.257 176.300 -0.018 0.000 1.294 922 D CA -0.127 53.862 54.000 -0.018 0.000 1.063 922 D CB -0.248 40.540 40.800 -0.019 0.000 1.096 922 D HN 0.311 nan 8.370 nan 0.000 0.516 923 L N 3.200 124.412 121.223 -0.018 0.000 2.103 923 L HA -0.259 4.080 4.340 -0.000 0.000 0.215 923 L C 2.406 179.267 176.870 -0.015 0.000 1.080 923 L CA 1.218 56.047 54.840 -0.017 0.000 0.764 923 L CB -0.130 41.920 42.059 -0.016 0.000 0.890 923 L HN 0.344 nan 8.230 nan 0.000 0.435 924 K N -0.295 120.096 120.400 -0.014 0.000 2.147 924 K HA -0.148 4.172 4.320 -0.000 0.000 0.205 924 K C 1.976 178.569 176.600 -0.013 0.000 1.049 924 K CA 1.152 57.431 56.287 -0.012 0.000 0.936 924 K CB -0.143 32.350 32.500 -0.012 0.000 0.722 924 K HN 0.403 nan 8.250 nan 0.000 0.446 925 L N 0.501 121.715 121.223 -0.015 0.000 2.095 925 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 925 L C 2.310 179.171 176.870 -0.014 0.000 1.080 925 L CA 0.660 55.490 54.840 -0.016 0.000 0.759 925 L CB -0.464 41.582 42.059 -0.021 0.000 0.914 925 L HN 0.110 nan 8.230 nan 0.000 0.439 926 Q N 0.114 119.904 119.800 -0.017 0.000 2.443 926 Q HA -0.129 4.211 4.340 -0.000 0.000 0.213 926 Q C 2.136 178.129 176.000 -0.010 0.000 0.982 926 Q CA 0.964 56.756 55.803 -0.018 0.000 0.894 926 Q CB -0.207 28.515 28.738 -0.026 0.000 0.947 926 Q HN 0.391 nan 8.270 nan 0.000 0.480 927 V N -0.078 119.832 119.914 -0.007 0.000 2.379 927 V HA -0.187 3.933 4.120 -0.000 0.000 0.243 927 V C 2.298 178.395 176.094 0.006 0.000 1.035 927 V CA 0.982 63.281 62.300 -0.001 0.000 1.035 927 V CB -0.410 31.411 31.823 -0.004 0.000 0.673 927 V HN 0.259 nan 8.190 nan 0.000 0.457 928 L N -0.648 120.576 121.223 0.002 0.000 2.027 928 L HA -0.143 4.197 4.340 -0.000 0.000 0.206 928 L C 2.493 179.373 176.870 0.017 0.000 1.074 928 L CA 1.254 56.098 54.840 0.007 0.000 0.745 928 L CB -0.534 41.524 42.059 -0.001 0.000 0.898 928 L HN 0.281 nan 8.230 nan 0.000 0.433 929 L N -0.292 120.938 121.223 0.012 0.000 2.127 929 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 929 L C 2.175 179.078 176.870 0.055 0.000 1.089 929 L CA 1.708 56.564 54.840 0.026 0.000 0.757 929 L CB -1.016 41.046 42.059 0.004 0.000 0.899 929 L HN 0.346 nan 8.230 nan 0.000 0.434 930 D N -0.399 120.024 120.400 0.039 0.000 2.103 930 D HA -0.179 4.461 4.640 -0.000 0.000 0.199 930 D C 2.055 178.412 176.300 0.094 0.000 0.978 930 D CA 0.858 54.895 54.000 0.061 0.000 0.829 930 D CB 0.102 40.918 40.800 0.026 0.000 0.981 930 D HN 0.290 nan 8.370 nan 0.000 0.464 931 E N 0.590 120.824 120.200 0.057 0.000 2.130 931 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 931 E C 1.828 178.463 176.600 0.057 0.000 0.998 931 E CA 1.168 57.596 56.400 0.047 0.000 0.806 931 E CB 0.120 29.834 29.700 0.024 0.000 0.738 931 E HN 0.352 nan 8.360 nan 0.000 0.459 932 E N -0.356 119.886 120.200 0.070 0.000 1.999 932 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 932 E C 1.981 178.644 176.600 0.106 0.000 0.995 932 E CA 1.107 57.550 56.400 0.071 0.000 0.825 932 E CB -0.521 29.223 29.700 0.074 0.000 0.777 932 E HN 0.396 nan 8.360 nan 0.000 0.459 933 Y N 1.164 121.479 120.300 0.025 0.000 2.446 933 Y HA -0.242 4.308 4.550 -0.000 0.000 0.287 933 Y C 2.188 178.123 175.900 0.059 0.000 1.159 933 Y CA 1.967 60.093 58.100 0.043 0.000 1.297 933 Y CB 0.062 38.547 38.460 0.042 0.000 0.974 933 Y HN 0.056 nan 8.280 nan 0.000 0.557 934 K N -0.422 120.088 120.400 0.182 0.000 2.116 934 K HA -0.185 4.135 4.320 -0.000 0.000 0.203 934 K C 2.159 178.769 176.600 0.016 0.000 1.052 934 K CA 1.278 57.633 56.287 0.114 0.000 0.952 934 K CB -0.037 32.517 32.500 0.090 0.000 0.729 934 K HN 0.279 nan 8.250 nan 0.000 0.446 935 Q N 0.634 120.432 119.800 -0.003 0.000 2.033 935 Q HA -0.011 4.329 4.340 -0.000 0.000 0.196 935 Q C 1.827 177.786 176.000 -0.068 0.000 0.970 935 Q CA 1.438 57.218 55.803 -0.040 0.000 0.828 935 Q CB -0.157 28.559 28.738 -0.037 0.000 0.895 935 Q HN 0.271 nan 8.270 nan 0.000 0.440 936 L N -0.381 120.794 121.223 -0.079 0.000 2.034 936 L HA -0.239 4.100 4.340 -0.000 0.000 0.217 936 L C 2.362 179.200 176.870 -0.054 0.000 1.077 936 L CA 1.458 56.239 54.840 -0.098 0.000 0.769 936 L CB -0.943 40.998 42.059 -0.197 0.000 0.890 936 L HN 0.205 nan 8.230 nan 0.000 0.435 937 V N -0.102 119.748 119.914 -0.106 0.000 2.626 937 V HA -0.240 3.880 4.120 -0.000 0.000 0.252 937 V C 2.641 178.645 176.094 -0.149 0.000 1.067 937 V CA 1.710 63.913 62.300 -0.162 0.000 1.081 937 V CB -0.305 31.423 31.823 -0.158 0.000 0.686 937 V HN 0.427 nan 8.190 nan 0.000 0.468 938 K N -0.498 119.847 120.400 -0.092 0.000 2.103 938 K HA -0.168 4.152 4.320 -0.000 0.000 0.204 938 K C 1.754 178.317 176.600 -0.061 0.000 1.052 938 K CA 1.648 57.894 56.287 -0.069 0.000 0.945 938 K CB -0.228 32.239 32.500 -0.056 0.000 0.722 938 K HN 0.433 nan 8.250 nan 0.000 0.443 939 D N 0.770 121.122 120.400 -0.080 0.000 2.149 939 D HA -0.174 4.466 4.640 -0.000 0.000 0.198 939 D C 1.974 178.254 176.300 -0.034 0.000 0.990 939 D CA 0.959 54.918 54.000 -0.068 0.000 0.839 939 D CB -0.085 40.661 40.800 -0.089 0.000 0.948 939 D HN 0.215 nan 8.370 nan 0.000 0.460 940 R N 0.543 120.980 120.500 -0.106 0.000 2.080 940 R HA -0.141 4.198 4.340 -0.000 0.000 0.236 940 R C 2.002 178.235 176.300 -0.112 0.000 1.137 940 R CA 1.283 57.288 56.100 -0.158 0.000 0.943 940 R CB 0.176 30.251 30.300 -0.375 0.000 0.846 940 R HN -0.056 nan 8.270 nan 0.000 0.431 941 K N 0.110 120.448 120.400 -0.102 0.000 2.001 941 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 941 K C 1.915 178.480 176.600 -0.058 0.000 1.050 941 K CA 1.608 57.846 56.287 -0.082 0.000 0.934 941 K CB -0.932 31.532 32.500 -0.061 0.000 0.718 941 K HN 0.171 nan 8.250 nan 0.000 0.443 942 F N 2.102 121.959 119.950 -0.156 0.000 2.063 942 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 942 F C 2.133 177.787 175.800 -0.244 0.000 1.105 942 F CA 1.677 59.568 58.000 -0.181 0.000 1.215 942 F CB -0.351 38.542 39.000 -0.178 0.000 0.972 942 F HN -0.063 nan 8.300 nan 0.000 0.483 943 L N -0.431 120.747 121.223 -0.076 0.000 2.017 943 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 943 L C 2.392 179.098 176.870 -0.272 0.000 1.073 943 L CA 1.541 56.212 54.840 -0.282 0.000 0.745 943 L CB -0.844 41.127 42.059 -0.147 0.000 0.894 943 L HN 0.059 nan 8.230 nan 0.000 0.432 944 R N -0.143 120.288 120.500 -0.115 0.000 2.357 944 R HA -0.124 4.215 4.340 -0.000 0.000 0.202 944 R C 1.770 178.016 176.300 -0.090 0.000 1.047 944 R CA 0.528 56.619 56.100 -0.015 0.000 1.034 944 R CB -0.021 30.299 30.300 0.032 0.000 0.875 944 R HN 0.459 nan 8.270 nan 0.000 0.473 945 E N -0.514 119.546 120.200 -0.233 0.000 2.340 945 E HA -0.001 4.349 4.350 -0.000 0.000 0.198 945 E C 1.381 177.772 176.600 -0.347 0.000 0.961 945 E CA 0.104 56.340 56.400 -0.273 0.000 0.905 945 E CB 0.633 30.126 29.700 -0.345 0.000 0.884 945 E HN 0.037 nan 8.360 nan 0.000 0.491 946 V N 0.244 119.853 119.914 -0.507 0.000 2.575 946 V HA 0.035 4.155 4.120 -0.000 0.000 0.242 946 V C 0.635 176.594 176.094 -0.226 0.000 1.045 946 V CA 0.941 62.908 62.300 -0.555 0.000 1.065 946 V CB 0.074 31.312 31.823 -0.976 0.000 0.717 946 V HN 0.175 nan 8.190 nan 0.000 0.467 947 F N -0.085 119.708 119.950 -0.261 0.000 2.434 947 F HA 0.278 4.805 4.527 -0.000 0.000 0.316 947 F C 1.327 177.075 175.800 -0.086 0.000 1.222 947 F CA -0.699 57.195 58.000 -0.177 0.000 1.207 947 F CB 0.687 39.572 39.000 -0.191 0.000 1.466 947 F HN -0.109 nan 8.300 nan 0.000 0.545 948 V N -0.302 119.662 119.914 0.084 0.000 2.313 948 V HA -0.401 3.719 4.120 -0.000 0.000 0.253 948 V C 2.209 178.329 176.094 0.042 0.000 1.070 948 V CA 2.263 64.593 62.300 0.050 0.000 1.057 948 V CB -0.435 31.388 31.823 0.001 0.000 0.653 948 V HN 0.577 nan 8.190 nan 0.000 0.450 949 D N 0.214 120.622 120.400 0.013 0.000 2.192 949 D HA -0.195 4.445 4.640 -0.000 0.000 0.189 949 D C 1.839 177.986 176.300 -0.256 0.000 1.007 949 D CA 2.701 56.662 54.000 -0.065 0.000 0.859 949 D CB -0.480 40.311 40.800 -0.015 0.000 0.936 949 D HN 0.660 nan 8.370 nan 0.000 0.447 950 G N -0.628 107.991 108.800 -0.302 0.000 2.238 950 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 950 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 950 G C 0.182 174.902 174.900 -0.301 0.000 0.996 950 G CA 0.487 45.103 45.100 -0.806 0.000 0.632 950 G HN 0.532 nan 8.290 nan 0.000 0.503 951 E N 1.140 121.277 120.200 -0.104 0.000 2.558 951 E HA 0.489 4.839 4.350 -0.000 0.000 0.255 951 E C 1.147 177.897 176.600 0.249 0.000 0.968 951 E CA 1.101 57.498 56.400 -0.005 0.000 0.939 951 E CB 0.724 30.385 29.700 -0.064 0.000 0.921 951 E HN 0.920 nan 8.360 nan 0.000 0.477 952 A N 5.101 128.017 122.820 0.160 0.000 2.390 952 A HA 0.147 4.467 4.320 -0.000 0.000 0.232 952 A C -0.182 177.581 177.584 0.300 0.000 1.233 952 A CA -0.385 51.835 52.037 0.304 0.000 0.907 952 A CB 0.089 19.198 19.000 0.183 0.000 0.967 952 A HN 0.536 nan 8.150 nan 0.000 0.512 953 N N 0.326 119.003 118.700 -0.039 0.000 2.469 953 N HA 0.427 5.167 4.740 -0.000 0.000 0.253 953 N C -1.618 173.550 175.510 -0.570 0.000 0.970 953 N CA 0.086 53.041 53.050 -0.158 0.000 0.940 953 N CB 0.776 39.139 38.487 -0.206 0.000 1.128 953 N HN 0.410 nan 8.380 nan 0.000 0.503 954 W N 1.812 123.089 121.300 -0.038 0.000 2.975 954 W HA 0.480 5.140 4.660 -0.000 0.000 0.342 954 W C -2.182 174.356 176.519 0.032 0.000 1.168 954 W CA -1.755 55.568 57.345 -0.037 0.000 1.141 954 W CB 0.653 30.099 29.460 -0.022 0.000 1.445 954 W HN 0.243 nan 8.180 nan 0.000 0.560 955 P HA 0.399 nan 4.420 nan 0.000 0.293 955 P C -1.073 176.360 177.300 0.222 0.000 1.313 955 P CA 0.211 63.434 63.100 0.205 0.000 0.787 955 P CB 1.176 32.993 31.700 0.195 0.000 0.910 956 L N 5.697 127.043 121.223 0.206 0.000 2.409 956 L HA 0.510 4.850 4.340 -0.000 0.000 0.262 956 L C -2.283 174.692 176.870 0.175 0.000 0.992 956 L CA -2.770 52.199 54.840 0.215 0.000 0.817 956 L CB 3.280 45.516 42.059 0.295 0.000 1.350 956 L HN 0.178 nan 8.230 nan 0.000 0.411 957 P HA 0.062 nan 4.420 nan 0.000 0.271 957 P C -0.531 176.803 177.300 0.056 0.000 1.233 957 P CA 0.095 63.180 63.100 -0.024 0.000 0.789 957 P CB 0.947 32.474 31.700 -0.289 0.000 0.951 958 V N -0.837 119.087 119.914 0.018 0.000 4.056 958 V HA -0.221 3.899 4.120 -0.000 0.000 0.459 958 V C 0.567 176.760 176.094 0.165 0.000 0.682 958 V CA 0.270 62.628 62.300 0.098 0.000 1.872 958 V CB -1.996 29.940 31.823 0.189 0.000 2.268 958 V HN 0.889 nan 8.190 nan 0.000 0.494 959 N N 4.611 123.361 118.700 0.083 0.000 2.399 959 N HA 0.280 5.020 4.740 -0.000 0.000 0.259 959 N C 0.864 176.403 175.510 0.048 0.000 1.160 959 N CA 0.075 53.163 53.050 0.063 0.000 0.946 959 N CB 0.810 39.300 38.487 0.004 0.000 1.156 959 N HN 0.676 nan 8.380 nan 0.000 0.489 960 I N 3.064 123.673 120.570 0.066 0.000 2.193 960 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 960 I C 2.432 178.528 176.117 -0.036 0.000 1.084 960 I CA 0.419 61.732 61.300 0.022 0.000 1.365 960 I CB -0.214 37.804 38.000 0.030 0.000 1.064 960 I HN 0.581 nan 8.210 nan 0.000 0.410 961 R N 1.288 121.770 120.500 -0.030 0.000 2.165 961 R HA -0.273 4.066 4.340 -0.000 0.000 0.254 961 R C 2.405 178.643 176.300 -0.104 0.000 1.153 961 R CA 2.004 58.062 56.100 -0.070 0.000 0.971 961 R CB -0.232 30.048 30.300 -0.033 0.000 0.878 961 R HN 0.300 nan 8.270 nan 0.000 0.449 962 R N 0.077 120.530 120.500 -0.077 0.000 2.055 962 R HA -0.022 4.318 4.340 -0.000 0.000 0.228 962 R C 2.499 178.767 176.300 -0.054 0.000 1.143 962 R CA 1.537 57.585 56.100 -0.087 0.000 0.945 962 R CB -0.456 29.810 30.300 -0.057 0.000 0.841 962 R HN 0.287 nan 8.270 nan 0.000 0.429 963 I N 0.976 121.522 120.570 -0.039 0.000 2.285 963 I HA -0.388 3.782 4.170 -0.000 0.000 0.254 963 I C 2.038 178.173 176.117 0.031 0.000 1.093 963 I CA 1.560 62.841 61.300 -0.032 0.000 1.368 963 I CB -0.074 37.880 38.000 -0.076 0.000 1.054 963 I HN 0.289 nan 8.210 nan 0.000 0.435 964 I N -0.447 120.098 120.570 -0.041 0.000 2.339 964 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 964 I C 2.443 178.562 176.117 0.002 0.000 1.096 964 I CA 0.752 62.018 61.300 -0.057 0.000 1.408 964 I CB -0.289 37.508 38.000 -0.338 0.000 1.092 964 I HN 0.206 nan 8.210 nan 0.000 0.423 965 Q N 0.885 120.641 119.800 -0.073 0.000 2.096 965 Q HA -0.263 4.077 4.340 -0.000 0.000 0.208 965 Q C 1.959 177.989 176.000 0.051 0.000 0.993 965 Q CA 1.936 57.691 55.803 -0.080 0.000 0.862 965 Q CB -0.342 28.210 28.738 -0.310 0.000 0.915 965 Q HN 0.540 nan 8.270 nan 0.000 0.416 966 N N 0.673 119.446 118.700 0.121 0.000 2.025 966 N HA -0.189 4.551 4.740 -0.000 0.000 0.194 966 N C 1.820 177.437 175.510 0.178 0.000 1.044 966 N CA 1.436 54.610 53.050 0.207 0.000 0.851 966 N CB -0.718 37.993 38.487 0.373 0.000 1.036 966 N HN 0.274 nan 8.380 nan 0.000 0.422 967 A N 1.827 124.892 122.820 0.409 0.000 1.909 967 A HA -0.306 4.014 4.320 -0.000 0.000 0.221 967 A C 2.216 179.898 177.584 0.164 0.000 1.223 967 A CA 2.003 54.220 52.037 0.301 0.000 0.658 967 A CB -0.989 18.286 19.000 0.458 0.000 0.831 967 A HN 0.426 nan 8.150 nan 0.000 0.462 968 Q N -1.175 118.701 119.800 0.127 0.000 1.895 968 Q HA -0.295 4.045 4.340 -0.000 0.000 0.217 968 Q C 2.394 178.413 176.000 0.030 0.000 1.003 968 Q CA 1.964 57.825 55.803 0.098 0.000 0.871 968 Q CB -0.382 28.417 28.738 0.102 0.000 0.941 968 Q HN 0.940 nan 8.270 nan 0.000 0.421 969 Q N 0.112 119.923 119.800 0.019 0.000 2.515 969 Q HA -0.122 4.218 4.340 -0.000 0.000 0.215 969 Q C 1.177 176.985 176.000 -0.320 0.000 0.983 969 Q CA 1.426 57.200 55.803 -0.047 0.000 0.905 969 Q CB 0.024 28.800 28.738 0.063 0.000 0.961 969 Q HN 0.221 nan 8.270 nan 0.000 0.503 970 T N -0.189 114.132 114.554 -0.388 0.000 2.978 970 T HA 0.043 4.393 4.350 -0.000 0.000 0.262 970 T C 0.060 174.097 174.700 -1.105 0.000 1.063 970 T CA 0.701 62.343 62.100 -0.762 0.000 1.140 970 T CB 0.031 68.290 68.868 -1.015 0.000 0.886 970 T HN 0.365 nan 8.240 nan 0.000 0.470 971 F N 0.631 120.266 119.950 -0.523 0.000 2.735 971 F HA 0.329 4.856 4.527 -0.000 0.000 0.304 971 F C 0.376 176.021 175.800 -0.259 0.000 1.119 971 F CA -0.933 56.834 58.000 -0.389 0.000 1.280 971 F CB -0.308 38.543 39.000 -0.248 0.000 0.994 971 F HN 0.130 nan 8.300 nan 0.000 0.520 972 H N 0.160 119.249 119.070 0.031 0.000 2.458 972 H HA -0.210 4.346 4.556 -0.000 0.000 0.322 972 H C 0.728 176.062 175.328 0.009 0.000 1.038 972 H CA 0.428 56.477 56.048 0.001 0.000 1.120 972 H CB -1.690 28.060 29.762 -0.020 0.000 1.489 972 H HN 0.355 nan 8.280 nan 0.000 0.399 973 I N 2.942 123.564 120.570 0.087 0.000 2.828 973 I HA -0.136 4.034 4.170 -0.000 0.000 0.292 973 I C 1.119 177.229 176.117 -0.012 0.000 1.206 973 I CA 0.742 62.078 61.300 0.060 0.000 1.420 973 I CB 0.254 38.301 38.000 0.079 0.000 1.368 973 I HN 0.236 nan 8.210 nan 0.000 0.556 974 D N 7.074 127.482 120.400 0.014 0.000 2.295 974 D HA 0.015 4.655 4.640 -0.000 0.000 0.248 974 D C 0.828 177.169 176.300 0.069 0.000 1.154 974 D CA -0.453 53.540 54.000 -0.012 0.000 0.857 974 D CB 0.914 41.726 40.800 0.021 0.000 1.117 974 D HN 0.446 nan 8.370 nan 0.000 0.468 975 H N 1.759 120.861 119.070 0.054 0.000 2.557 975 H HA -0.111 4.445 4.556 -0.000 0.000 0.287 975 H C 1.857 177.204 175.328 0.031 0.000 1.043 975 H CA 1.589 57.664 56.048 0.046 0.000 1.226 975 H CB -0.260 29.532 29.762 0.049 0.000 1.361 975 H HN 0.709 nan 8.280 nan 0.000 0.592 976 T N -2.503 112.132 114.554 0.134 0.000 2.914 976 T HA 0.024 4.374 4.350 -0.000 0.000 0.240 976 T C 1.260 175.992 174.700 0.054 0.000 1.025 976 T CA -0.242 61.905 62.100 0.078 0.000 1.198 976 T CB 0.526 69.428 68.868 0.057 0.000 0.892 976 T HN 0.010 nan 8.240 nan 0.000 0.417 977 K N 2.776 123.203 120.400 0.046 0.000 2.339 977 K HA 0.141 4.461 4.320 -0.000 0.000 0.260 977 K C -2.284 174.333 176.600 0.029 0.000 0.989 977 K CA -0.875 55.431 56.287 0.031 0.000 0.888 977 K CB 0.002 32.519 32.500 0.028 0.000 0.983 977 K HN 0.365 nan 8.250 nan 0.000 0.515 978 P HA 0.067 nan 4.420 nan 0.000 0.290 978 P C -0.632 176.668 177.300 0.001 0.000 1.275 978 P CA -0.444 62.659 63.100 0.005 0.000 0.841 978 P CB 1.786 33.484 31.700 -0.004 0.000 1.042 979 S N 1.048 116.743 115.700 -0.008 0.000 2.632 979 S HA 0.103 4.572 4.470 -0.000 0.000 0.254 979 S C 0.377 174.959 174.600 -0.030 0.000 1.291 979 S CA 0.213 58.402 58.200 -0.019 0.000 0.974 979 S CB -0.262 62.917 63.200 -0.035 0.000 1.016 979 S HN 0.670 nan 8.310 nan 0.000 0.579 980 D N 0.545 120.919 120.400 -0.044 0.000 3.007 980 D HA 0.201 4.841 4.640 -0.000 0.000 0.363 980 D C -0.652 175.607 176.300 -0.067 0.000 1.474 980 D CA -0.226 53.747 54.000 -0.045 0.000 0.767 980 D CB -0.950 39.831 40.800 -0.032 0.000 1.227 980 D HN 0.321 nan 8.370 nan 0.000 0.471 981 L N 0.630 121.794 121.223 -0.098 0.000 2.334 981 L HA 0.448 4.788 4.340 -0.000 0.000 0.275 981 L C 0.496 177.289 176.870 -0.128 0.000 1.036 981 L CA -0.468 54.283 54.840 -0.148 0.000 0.807 981 L CB 1.826 43.736 42.059 -0.247 0.000 1.231 981 L HN -0.126 nan 8.230 nan 0.000 0.438 982 T N 1.803 116.282 114.554 -0.125 0.000 2.889 982 T HA 0.252 4.602 4.350 -0.000 0.000 0.291 982 T C 1.298 175.930 174.700 -0.112 0.000 0.995 982 T CA -0.411 61.633 62.100 -0.094 0.000 1.092 982 T CB 1.326 70.153 68.868 -0.068 0.000 0.954 982 T HN 0.448 nan 8.240 nan 0.000 0.506 983 I N 1.342 121.860 120.570 -0.086 0.000 3.164 983 I HA -0.089 4.081 4.170 -0.000 0.000 0.278 983 I C 2.093 178.167 176.117 -0.070 0.000 1.320 983 I CA 1.125 62.375 61.300 -0.083 0.000 1.422 983 I CB -0.084 37.880 38.000 -0.060 0.000 1.066 983 I HN 0.617 nan 8.210 nan 0.000 0.503 984 K N -0.052 120.307 120.400 -0.068 0.000 2.350 984 K HA -0.038 4.282 4.320 -0.000 0.000 0.196 984 K C 1.490 178.059 176.600 -0.052 0.000 1.084 984 K CA 0.186 56.444 56.287 -0.047 0.000 0.967 984 K CB 0.324 32.804 32.500 -0.034 0.000 0.950 984 K HN 0.123 nan 8.250 nan 0.000 0.512 985 D N 1.383 121.730 120.400 -0.088 0.000 2.081 985 D HA -0.167 4.473 4.640 -0.000 0.000 0.194 985 D C 1.916 178.139 176.300 -0.128 0.000 0.986 985 D CA 1.369 55.311 54.000 -0.097 0.000 0.837 985 D CB -0.269 40.433 40.800 -0.163 0.000 0.985 985 D HN 0.129 nan 8.370 nan 0.000 0.448 986 I N 0.895 121.264 120.570 -0.335 0.000 2.094 986 I HA -0.348 3.822 4.170 -0.000 0.000 0.236 986 I C 2.642 178.754 176.117 -0.009 0.000 1.016 986 I CA 1.210 62.291 61.300 -0.366 0.000 1.294 986 I CB -0.706 37.084 38.000 -0.350 0.000 1.006 986 I HN -0.085 nan 8.210 nan 0.000 0.397 987 V N 0.905 120.804 119.914 -0.026 0.000 2.278 987 V HA -0.296 3.824 4.120 -0.000 0.000 0.251 987 V C 2.239 178.358 176.094 0.041 0.000 1.062 987 V CA 2.065 64.376 62.300 0.019 0.000 1.038 987 V CB -0.474 31.349 31.823 -0.001 0.000 0.646 987 V HN 0.383 nan 8.190 nan 0.000 0.447 988 L N -0.337 120.906 121.223 0.033 0.000 2.492 988 L HA 0.118 4.457 4.340 -0.000 0.000 0.223 988 L C 2.315 179.227 176.870 0.070 0.000 1.132 988 L CA 0.826 55.690 54.840 0.039 0.000 0.850 988 L CB -0.613 41.459 42.059 0.021 0.000 0.966 988 L HN 0.438 nan 8.230 nan 0.000 0.454 989 G N -0.543 108.340 108.800 0.137 0.000 2.408 989 G HA2 -0.098 3.861 3.960 -0.000 0.000 0.213 989 G HA3 -0.098 3.861 3.960 -0.000 0.000 0.213 989 G C 1.527 176.507 174.900 0.132 0.000 1.177 989 G CA 0.406 45.620 45.100 0.190 0.000 0.802 989 G HN 0.069 nan 8.290 nan 0.000 0.533 990 V N 1.235 121.255 119.914 0.177 0.000 2.233 990 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 990 V C 2.681 178.794 176.094 0.032 0.000 1.050 990 V CA 2.451 64.808 62.300 0.095 0.000 1.010 990 V CB -0.498 31.400 31.823 0.125 0.000 0.637 990 V HN 0.452 nan 8.190 nan 0.000 0.444 991 K N -0.409 120.011 120.400 0.033 0.000 2.152 991 K HA -0.271 4.049 4.320 -0.000 0.000 0.206 991 K C 1.914 178.511 176.600 -0.005 0.000 1.048 991 K CA 1.926 58.215 56.287 0.004 0.000 0.933 991 K CB -0.258 32.246 32.500 0.005 0.000 0.721 991 K HN 0.493 nan 8.250 nan 0.000 0.447 992 D N 0.274 120.679 120.400 0.008 0.000 2.323 992 D HA -0.091 4.549 4.640 -0.000 0.000 0.209 992 D C 1.806 178.093 176.300 -0.021 0.000 0.973 992 D CA 0.294 54.292 54.000 -0.003 0.000 0.874 992 D CB 0.268 41.076 40.800 0.013 0.000 0.930 992 D HN 0.239 nan 8.370 nan 0.000 0.521 993 L N 0.929 122.137 121.223 -0.025 0.000 2.109 993 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 993 L C 2.084 178.908 176.870 -0.076 0.000 1.086 993 L CA 1.540 56.348 54.840 -0.054 0.000 0.760 993 L CB -0.625 41.396 42.059 -0.063 0.000 0.910 993 L HN -0.078 nan 8.230 nan 0.000 0.437 994 Q N -0.376 119.384 119.800 -0.066 0.000 2.135 994 Q HA -0.195 4.144 4.340 -0.000 0.000 0.204 994 Q C 1.850 177.791 176.000 -0.098 0.000 0.981 994 Q CA 1.459 57.212 55.803 -0.083 0.000 0.856 994 Q CB -0.318 28.381 28.738 -0.064 0.000 0.902 994 Q HN 0.542 nan 8.270 nan 0.000 0.425 995 E N 0.676 120.832 120.200 -0.072 0.000 2.331 995 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 995 E C 1.015 177.567 176.600 -0.081 0.000 1.008 995 E CA 0.753 57.114 56.400 -0.065 0.000 0.843 995 E CB -0.089 29.585 29.700 -0.044 0.000 0.761 995 E HN 0.415 nan 8.360 nan 0.000 0.507 996 N N -0.206 118.428 118.700 -0.109 0.000 2.220 996 N HA 0.056 4.796 4.740 -0.000 0.000 0.195 996 N C 0.441 175.824 175.510 -0.211 0.000 1.123 996 N CA 0.003 52.979 53.050 -0.122 0.000 0.874 996 N CB 0.638 39.068 38.487 -0.095 0.000 0.995 996 N HN 0.138 nan 8.380 nan 0.000 0.498 997 L N 2.007 123.016 121.223 -0.356 0.000 2.416 997 L HA 0.156 4.496 4.340 -0.000 0.000 0.243 997 L C -0.271 176.326 176.870 -0.456 0.000 1.373 997 L CA -0.251 54.096 54.840 -0.823 0.000 1.227 997 L CB -0.634 40.758 42.059 -1.111 0.000 1.428 997 L HN -0.135 nan 8.230 nan 0.000 0.425 998 L N 1.191 122.326 121.223 -0.146 0.000 2.360 998 L HA 0.094 4.434 4.340 -0.000 0.000 0.276 998 L C 0.824 177.800 176.870 0.175 0.000 1.121 998 L CA 0.646 55.498 54.840 0.020 0.000 0.845 998 L CB 1.527 43.591 42.059 0.009 0.000 1.143 998 L HN 0.138 nan 8.230 nan 0.000 0.452 999 V N 3.415 123.419 119.914 0.149 0.000 2.950 999 V HA 0.246 4.366 4.120 -0.000 0.000 0.231 999 V C 0.569 176.715 176.094 0.086 0.000 1.205 999 V CA 0.106 62.493 62.300 0.146 0.000 1.239 999 V CB 0.364 32.286 31.823 0.165 0.000 1.050 999 V HN 0.438 nan 8.190 nan 0.000 0.498 1000 L N -0.395 120.873 121.223 0.074 0.000 2.400 1000 L HA 0.484 4.824 4.340 -0.000 0.000 0.264 1000 L C 1.054 177.952 176.870 0.047 0.000 1.061 1000 L CA -0.043 54.835 54.840 0.063 0.000 0.799 1000 L CB 1.280 43.376 42.059 0.062 0.000 1.240 1000 L HN 0.059 nan 8.230 nan 0.000 0.461 1001 R N -0.279 120.246 120.500 0.042 0.000 2.561 1001 R HA 0.176 4.516 4.340 -0.000 0.000 0.213 1001 R C 0.591 176.903 176.300 0.021 0.000 0.885 1001 R CA 0.116 56.233 56.100 0.027 0.000 1.002 1001 R CB 0.537 30.852 30.300 0.024 0.000 1.432 1001 R HN 0.805 nan 8.270 nan 0.000 0.651 1002 G N 1.960 110.776 108.800 0.027 0.000 2.752 1002 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 1002 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 1002 G C -0.453 174.454 174.900 0.012 0.000 1.185 1002 G CA 0.123 45.235 45.100 0.020 0.000 0.854 1002 G HN 0.175 nan 8.290 nan 0.000 0.540 1003 K N 1.938 122.344 120.400 0.009 0.000 2.363 1003 K HA 0.231 4.551 4.320 -0.000 0.000 0.240 1003 K C -0.017 176.585 176.600 0.003 0.000 1.169 1003 K CA -0.242 56.047 56.287 0.004 0.000 1.131 1003 K CB 0.028 32.529 32.500 0.002 0.000 1.771 1003 K HN 0.744 nan 8.250 nan 0.000 0.380 1004 N N -1.557 117.144 118.700 0.003 0.000 3.171 1004 N HA -0.025 4.715 4.740 -0.000 0.000 0.239 1004 N C 0.058 175.567 175.510 -0.002 0.000 1.275 1004 N CA -0.596 52.454 53.050 0.001 0.000 0.920 1004 N CB 0.871 39.361 38.487 0.004 0.000 1.554 1004 N HN -0.123 nan 8.380 nan 0.000 0.504 1005 E N 1.008 121.205 120.200 -0.006 0.000 2.070 1005 E HA -0.036 4.313 4.350 -0.000 0.000 0.197 1005 E C 1.237 177.829 176.600 -0.013 0.000 1.004 1005 E CA 1.819 58.213 56.400 -0.010 0.000 0.805 1005 E CB -0.251 29.442 29.700 -0.012 0.000 0.744 1005 E HN 0.679 nan 8.360 nan 0.000 0.451 1006 I N 0.191 120.753 120.570 -0.013 0.000 2.118 1006 I HA -0.303 3.867 4.170 -0.000 0.000 0.241 1006 I C 2.000 178.107 176.117 -0.016 0.000 1.070 1006 I CA 0.925 62.212 61.300 -0.021 0.000 1.327 1006 I CB -0.329 37.659 38.000 -0.020 0.000 1.034 1006 I HN 0.185 nan 8.210 nan 0.000 0.405 1007 I N 0.116 120.685 120.570 -0.001 0.000 2.202 1007 I HA -0.244 3.925 4.170 -0.000 0.000 0.242 1007 I C 2.578 178.700 176.117 0.008 0.000 1.091 1007 I CA 1.469 62.775 61.300 0.011 0.000 1.368 1007 I CB -1.428 36.585 38.000 0.023 0.000 1.058 1007 I HN 0.368 nan 8.210 nan 0.000 0.410 1008 Q N 0.457 120.258 119.800 0.002 0.000 2.170 1008 Q HA -0.171 4.168 4.340 -0.000 0.000 0.203 1008 Q C 1.973 177.968 176.000 -0.008 0.000 0.976 1008 Q CA 0.978 56.779 55.803 -0.002 0.000 0.858 1008 Q CB -0.392 28.343 28.738 -0.006 0.000 0.907 1008 Q HN 0.499 nan 8.270 nan 0.000 0.433 1009 N N 0.226 118.918 118.700 -0.014 0.000 2.331 1009 N HA -0.066 4.674 4.740 -0.000 0.000 0.180 1009 N C 1.490 176.989 175.510 -0.018 0.000 1.019 1009 N CA 0.990 54.027 53.050 -0.021 0.000 0.881 1009 N CB 0.132 38.603 38.487 -0.027 0.000 0.972 1009 N HN 0.198 nan 8.380 nan 0.000 0.435 1010 A N 0.716 123.529 122.820 -0.012 0.000 1.930 1010 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 1010 A C 2.156 179.749 177.584 0.015 0.000 1.175 1010 A CA 1.542 53.577 52.037 -0.003 0.000 0.627 1010 A CB -0.604 18.400 19.000 0.006 0.000 0.815 1010 A HN 0.348 nan 8.150 nan 0.000 0.443 1011 Q N 0.293 120.104 119.800 0.017 0.000 2.061 1011 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 1011 Q C 2.125 178.135 176.000 0.016 0.000 0.984 1011 Q CA 2.394 58.213 55.803 0.026 0.000 0.846 1011 Q CB -0.435 28.314 28.738 0.018 0.000 0.902 1011 Q HN 0.602 nan 8.270 nan 0.000 0.421 1012 R N -0.136 120.361 120.500 -0.005 0.000 2.096 1012 R HA -0.174 4.166 4.340 -0.000 0.000 0.240 1012 R C 1.728 178.015 176.300 -0.022 0.000 1.139 1012 R CA 1.919 58.005 56.100 -0.023 0.000 0.952 1012 R CB -0.261 30.018 30.300 -0.036 0.000 0.854 1012 R HN 0.471 nan 8.270 nan 0.000 0.436 1013 D N 0.065 120.456 120.400 -0.013 0.000 2.078 1013 D HA -0.164 4.476 4.640 -0.000 0.000 0.193 1013 D C 1.753 178.062 176.300 0.015 0.000 0.990 1013 D CA 1.630 55.626 54.000 -0.008 0.000 0.827 1013 D CB -0.537 40.262 40.800 -0.002 0.000 0.975 1013 D HN 0.337 nan 8.370 nan 0.000 0.451 1014 A N 0.524 123.365 122.820 0.036 0.000 2.093 1014 A HA -0.170 4.149 4.320 -0.000 0.000 0.222 1014 A C 2.375 180.016 177.584 0.095 0.000 1.162 1014 A CA 1.475 53.550 52.037 0.062 0.000 0.655 1014 A CB -0.408 18.639 19.000 0.078 0.000 0.805 1014 A HN 0.210 nan 8.150 nan 0.000 0.461 1015 V N -1.715 118.251 119.914 0.087 0.000 3.263 1015 V HA -0.094 4.026 4.120 -0.000 0.000 0.248 1015 V C 2.305 178.454 176.094 0.091 0.000 1.145 1015 V CA 1.396 63.781 62.300 0.141 0.000 1.107 1015 V CB -0.745 31.142 31.823 0.107 0.000 0.797 1015 V HN 0.564 nan 8.190 nan 0.000 0.467 1016 T N 1.597 116.146 114.554 -0.009 0.000 2.634 1016 T HA -0.381 3.969 4.350 -0.000 0.000 0.256 1016 T C 1.803 176.438 174.700 -0.108 0.000 1.131 1016 T CA 2.726 64.754 62.100 -0.119 0.000 1.149 1016 T CB -0.515 68.243 68.868 -0.183 0.000 0.849 1016 T HN 0.336 nan 8.240 nan 0.000 0.457 1017 L N 0.095 121.311 121.223 -0.013 0.000 2.072 1017 L HA 0.170 4.510 4.340 -0.000 0.000 0.205 1017 L C 2.064 178.968 176.870 0.055 0.000 1.079 1017 L CA 1.487 56.330 54.840 0.004 0.000 0.752 1017 L CB -0.896 41.178 42.059 0.025 0.000 0.906 1017 L HN 0.276 nan 8.230 nan 0.000 0.436 1018 F N -0.125 119.844 119.950 0.031 0.000 2.126 1018 F HA -0.285 4.242 4.527 -0.000 0.000 0.299 1018 F C 2.445 178.264 175.800 0.033 0.000 1.096 1018 F CA 1.782 59.828 58.000 0.076 0.000 1.255 1018 F CB -0.917 38.188 39.000 0.176 0.000 0.997 1018 F HN 0.211 nan 8.300 nan 0.000 0.479 1019 C N -0.190 119.032 119.300 -0.131 0.000 2.413 1019 C HA -0.235 4.225 4.460 -0.000 0.000 0.277 1019 C C 3.068 177.916 174.990 -0.236 0.000 1.228 1019 C CA 1.114 59.992 59.018 -0.233 0.000 1.731 1019 C CB -1.740 25.930 27.740 -0.117 0.000 2.042 1019 C HN 0.725 nan 8.230 nan 0.000 0.468 1020 C N 0.371 119.566 119.300 -0.175 0.000 2.375 1020 C HA -0.205 4.254 4.460 -0.000 0.000 0.274 1020 C C 2.524 177.441 174.990 -0.122 0.000 1.190 1020 C CA 1.673 60.608 59.018 -0.138 0.000 1.775 1020 C CB -1.727 25.944 27.740 -0.114 0.000 2.067 1020 C HN 0.695 nan 8.230 nan 0.000 0.463 1021 L N 0.713 121.843 121.223 -0.156 0.000 1.955 1021 L HA -0.118 4.222 4.340 -0.000 0.000 0.213 1021 L C 2.349 179.106 176.870 -0.188 0.000 1.072 1021 L CA 1.960 56.718 54.840 -0.137 0.000 0.755 1021 L CB -1.271 40.688 42.059 -0.166 0.000 0.888 1021 L HN 0.291 nan 8.230 nan 0.000 0.432 1022 L N 0.295 121.277 121.223 -0.402 0.000 2.011 1022 L HA -0.315 4.025 4.340 -0.000 0.000 0.225 1022 L C 2.742 179.542 176.870 -0.117 0.000 1.084 1022 L CA 2.309 56.954 54.840 -0.324 0.000 0.791 1022 L CB -0.740 41.053 42.059 -0.443 0.000 0.898 1022 L HN 0.382 nan 8.230 nan 0.000 0.440 1023 R N -1.385 119.059 120.500 -0.094 0.000 2.237 1023 R HA -0.078 4.262 4.340 -0.000 0.000 0.219 1023 R C 2.406 178.739 176.300 0.055 0.000 1.080 1023 R CA 1.031 57.122 56.100 -0.015 0.000 0.995 1023 R CB -0.479 29.800 30.300 -0.034 0.000 0.875 1023 R HN 0.479 nan 8.270 nan 0.000 0.462 1024 S N 0.270 116.003 115.700 0.054 0.000 2.461 1024 S HA 0.005 4.475 4.470 -0.000 0.000 0.228 1024 S C 1.529 176.253 174.600 0.207 0.000 1.005 1024 S CA 0.654 58.955 58.200 0.169 0.000 0.942 1024 S CB 0.200 63.465 63.200 0.108 0.000 0.776 1024 S HN 0.210 nan 8.310 nan 0.000 0.514 1025 R N 0.023 120.602 120.500 0.133 0.000 2.419 1025 R HA 0.364 4.704 4.340 -0.000 0.000 0.235 1025 R C 0.138 176.572 176.300 0.223 0.000 0.899 1025 R CA 0.090 56.306 56.100 0.195 0.000 1.048 1025 R CB 0.090 30.510 30.300 0.200 0.000 1.182 1025 R HN 0.365 nan 8.270 nan 0.000 0.544 1026 L N 1.558 122.868 121.223 0.145 0.000 3.030 1026 L HA 0.470 4.809 4.340 -0.000 0.000 0.252 1026 L C -0.163 176.773 176.870 0.110 0.000 1.316 1026 L CA -0.516 54.429 54.840 0.176 0.000 0.975 1026 L CB 0.954 43.110 42.059 0.163 0.000 1.357 1026 L HN -0.098 nan 8.230 nan 0.000 0.534 1027 A N -0.576 122.256 122.820 0.020 0.000 2.305 1027 A HA 0.509 4.829 4.320 -0.000 0.000 0.322 1027 A C 1.301 178.838 177.584 -0.079 0.000 1.187 1027 A CA -0.280 51.756 52.037 -0.001 0.000 0.825 1027 A CB 0.889 19.909 19.000 0.032 0.000 1.164 1027 A HN 0.385 nan 8.150 nan 0.000 0.498 1028 T N 1.640 116.165 114.554 -0.048 0.000 2.602 1028 T HA -0.257 4.093 4.350 -0.000 0.000 0.264 1028 T C 2.120 176.736 174.700 -0.140 0.000 1.085 1028 T CA 2.040 64.088 62.100 -0.086 0.000 1.164 1028 T CB -0.285 68.549 68.868 -0.057 0.000 0.860 1028 T HN 0.642 nan 8.240 nan 0.000 0.442 1029 R N 0.656 121.063 120.500 -0.156 0.000 2.097 1029 R HA -0.032 4.308 4.340 -0.000 0.000 0.236 1029 R C 2.699 178.820 176.300 -0.298 0.000 1.135 1029 R CA 1.651 57.627 56.100 -0.207 0.000 0.934 1029 R CB -0.572 29.592 30.300 -0.228 0.000 0.846 1029 R HN 0.410 nan 8.270 nan 0.000 0.431 1030 R N -0.221 120.027 120.500 -0.420 0.000 2.122 1030 R HA -0.166 4.174 4.340 -0.000 0.000 0.236 1030 R C 2.297 178.166 176.300 -0.719 0.000 1.129 1030 R CA 2.227 57.955 56.100 -0.620 0.000 0.925 1030 R CB -0.685 29.208 30.300 -0.679 0.000 0.850 1030 R HN 0.078 nan 8.270 nan 0.000 0.431 1031 V N 1.049 120.656 119.914 -0.512 0.000 2.363 1031 V HA -0.285 3.834 4.120 -0.000 0.000 0.254 1031 V C 2.170 178.193 176.094 -0.119 0.000 1.074 1031 V CA 1.870 64.037 62.300 -0.221 0.000 1.069 1031 V CB -0.478 31.344 31.823 -0.001 0.000 0.659 1031 V HN 0.345 nan 8.190 nan 0.000 0.455 1032 L N -1.635 119.490 121.223 -0.164 0.000 2.316 1032 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 1032 L C 2.443 179.255 176.870 -0.096 0.000 1.070 1032 L CA 0.940 55.718 54.840 -0.103 0.000 0.820 1032 L CB -0.144 41.851 42.059 -0.107 0.000 0.992 1032 L HN 0.282 nan 8.230 nan 0.000 0.466 1033 Q N -0.164 119.547 119.800 -0.149 0.000 2.304 1033 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 1033 Q C 1.756 177.676 176.000 -0.134 0.000 0.936 1033 Q CA 0.631 56.357 55.803 -0.129 0.000 0.878 1033 Q CB 0.526 29.178 28.738 -0.143 0.000 0.983 1033 Q HN 0.437 nan 8.270 nan 0.000 0.516 1034 E N -0.509 119.570 120.200 -0.201 0.000 2.021 1034 E HA -0.112 4.238 4.350 -0.000 0.000 0.189 1034 E C 1.801 178.432 176.600 0.053 0.000 0.980 1034 E CA 1.035 57.350 56.400 -0.142 0.000 0.803 1034 E CB -0.104 29.441 29.700 -0.259 0.000 0.766 1034 E HN 0.433 nan 8.360 nan 0.000 0.449 1035 Y N -0.337 119.956 120.300 -0.012 0.000 2.263 1035 Y HA 0.045 4.595 4.550 -0.000 0.000 0.292 1035 Y C 0.908 176.860 175.900 0.086 0.000 1.130 1035 Y CA -0.310 57.819 58.100 0.049 0.000 1.179 1035 Y CB 0.356 38.856 38.460 0.067 0.000 0.998 1035 Y HN -0.118 nan 8.280 nan 0.000 0.532 1036 R N 0.137 120.748 120.500 0.185 0.000 3.878 1036 R HA -0.178 4.162 4.340 -0.000 0.000 0.330 1036 R C -0.357 176.032 176.300 0.150 0.000 1.186 1036 R CA 0.293 56.480 56.100 0.145 0.000 0.885 1036 R CB -2.266 28.163 30.300 0.215 0.000 1.377 1036 R HN 0.355 nan 8.270 nan 0.000 0.523 1037 L N 0.350 121.682 121.223 0.182 0.000 2.483 1037 L HA 0.002 4.342 4.340 -0.000 0.000 0.277 1037 L C 1.921 178.829 176.870 0.064 0.000 1.248 1037 L CA 1.405 56.335 54.840 0.149 0.000 0.825 1037 L CB 0.048 42.252 42.059 0.242 0.000 1.096 1037 L HN 0.325 nan 8.230 nan 0.000 0.512 1038 T N -1.518 113.043 114.554 0.012 0.000 2.849 1038 T HA 0.232 4.582 4.350 -0.000 0.000 0.272 1038 T C 0.704 175.385 174.700 -0.032 0.000 1.046 1038 T CA -0.532 61.550 62.100 -0.031 0.000 0.983 1038 T CB 1.274 70.100 68.868 -0.071 0.000 1.721 1038 T HN 0.515 nan 8.240 nan 0.000 0.594 1039 K N -0.314 120.055 120.400 -0.052 0.000 2.211 1039 K HA 0.215 4.535 4.320 -0.000 0.000 0.201 1039 K C 2.381 178.976 176.600 -0.007 0.000 1.052 1039 K CA 1.091 57.366 56.287 -0.020 0.000 0.973 1039 K CB -0.434 32.048 32.500 -0.030 0.000 0.766 1039 K HN 0.651 nan 8.250 nan 0.000 0.466 1040 Q N -0.077 119.644 119.800 -0.131 0.000 1.965 1040 Q HA -0.073 4.267 4.340 -0.000 0.000 0.200 1040 Q C 1.964 177.742 176.000 -0.369 0.000 0.981 1040 Q CA 1.724 57.376 55.803 -0.252 0.000 0.834 1040 Q CB -0.367 28.127 28.738 -0.407 0.000 0.900 1040 Q HN 0.379 nan 8.270 nan 0.000 0.426 1041 A N 0.690 123.141 122.820 -0.614 0.000 1.909 1041 A HA -0.299 4.021 4.320 -0.000 0.000 0.221 1041 A C 1.891 179.504 177.584 0.048 0.000 1.223 1041 A CA 2.037 53.816 52.037 -0.429 0.000 0.658 1041 A CB -1.394 17.490 19.000 -0.194 0.000 0.831 1041 A HN 0.606 nan 8.150 nan 0.000 0.462 1042 F N 1.154 121.078 119.950 -0.043 0.000 2.025 1042 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 1042 F C 2.100 177.941 175.800 0.068 0.000 1.132 1042 F CA 2.475 60.497 58.000 0.037 0.000 1.191 1042 F CB -0.428 38.582 39.000 0.015 0.000 0.963 1042 F HN 0.316 nan 8.300 nan 0.000 0.481 1043 D N -0.861 119.663 120.400 0.206 0.000 2.203 1043 D HA -0.280 4.360 4.640 -0.000 0.000 0.199 1043 D C 1.861 178.210 176.300 0.083 0.000 0.997 1043 D CA 1.566 55.629 54.000 0.105 0.000 0.863 1043 D CB -0.773 40.109 40.800 0.137 0.000 0.928 1043 D HN 0.507 nan 8.370 nan 0.000 0.458 1044 W N 1.533 122.792 121.300 -0.068 0.000 2.380 1044 W HA -0.175 4.485 4.660 -0.000 0.000 0.317 1044 W C 2.383 178.869 176.519 -0.055 0.000 1.196 1044 W CA 0.953 58.290 57.345 -0.014 0.000 1.307 1044 W CB -0.694 28.807 29.460 0.069 0.000 1.157 1044 W HN -0.266 nan 8.180 nan 0.000 0.483 1045 V N 1.557 121.518 119.914 0.078 0.000 2.278 1045 V HA -0.396 3.724 4.120 -0.000 0.000 0.251 1045 V C 2.386 178.325 176.094 -0.258 0.000 1.062 1045 V CA 2.268 64.487 62.300 -0.136 0.000 1.038 1045 V CB -1.252 30.512 31.823 -0.098 0.000 0.646 1045 V HN 0.254 nan 8.190 nan 0.000 0.447 1046 L N -0.432 120.601 121.223 -0.316 0.000 2.046 1046 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 1046 L C 2.676 179.429 176.870 -0.195 0.000 1.077 1046 L CA 2.015 56.686 54.840 -0.282 0.000 0.747 1046 L CB -1.020 40.838 42.059 -0.335 0.000 0.896 1046 L HN 0.416 nan 8.230 nan 0.000 0.432 1047 S N 0.199 115.784 115.700 -0.191 0.000 2.356 1047 S HA -0.184 4.286 4.470 -0.000 0.000 0.223 1047 S C 1.710 176.180 174.600 -0.217 0.000 1.032 1047 S CA 1.674 59.772 58.200 -0.170 0.000 1.005 1047 S CB -0.248 62.865 63.200 -0.145 0.000 0.867 1047 S HN 0.475 nan 8.310 nan 0.000 0.449 1048 N N 0.861 119.350 118.700 -0.352 0.000 2.039 1048 N HA -0.070 4.670 4.740 -0.000 0.000 0.193 1048 N C 1.887 177.290 175.510 -0.177 0.000 1.044 1048 N CA 1.702 54.551 53.050 -0.335 0.000 0.847 1048 N CB -0.400 37.764 38.487 -0.538 0.000 1.030 1048 N HN 0.358 nan 8.380 nan 0.000 0.422 1049 I N 1.531 122.016 120.570 -0.142 0.000 2.121 1049 I HA -0.383 3.787 4.170 -0.000 0.000 0.243 1049 I C 2.681 178.806 176.117 0.013 0.000 1.047 1049 I CA 1.614 62.907 61.300 -0.012 0.000 1.308 1049 I CB -0.560 37.452 38.000 0.019 0.000 1.015 1049 I HN 0.345 nan 8.210 nan 0.000 0.410 1050 E N 1.276 121.448 120.200 -0.047 0.000 2.021 1050 E HA -0.293 4.056 4.350 -0.000 0.000 0.200 1050 E C 2.171 178.768 176.600 -0.004 0.000 1.015 1050 E CA 2.063 58.434 56.400 -0.050 0.000 0.824 1050 E CB -0.229 29.424 29.700 -0.077 0.000 0.762 1050 E HN 0.462 nan 8.360 nan 0.000 0.454 1051 A N 0.466 123.261 122.820 -0.042 0.000 1.865 1051 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 1051 A C 2.226 179.789 177.584 -0.034 0.000 1.191 1051 A CA 1.889 53.903 52.037 -0.039 0.000 0.623 1051 A CB -0.826 18.133 19.000 -0.068 0.000 0.826 1051 A HN 0.471 nan 8.150 nan 0.000 0.444 1052 Q N -2.080 117.691 119.800 -0.047 0.000 2.297 1052 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 1052 Q C 1.701 177.657 176.000 -0.073 0.000 0.981 1052 Q CA 1.519 57.286 55.803 -0.060 0.000 0.876 1052 Q CB -0.246 28.463 28.738 -0.048 0.000 0.921 1052 Q HN 0.788 nan 8.270 nan 0.000 0.446 1053 F N 0.464 120.301 119.950 -0.189 0.000 2.025 1053 F HA -0.169 4.358 4.527 -0.000 0.000 0.291 1053 F C 1.772 177.435 175.800 -0.230 0.000 1.150 1053 F CA 1.099 58.939 58.000 -0.266 0.000 1.166 1053 F CB -0.306 38.517 39.000 -0.296 0.000 0.995 1053 F HN -0.079 nan 8.300 nan 0.000 0.474 1054 L N 0.515 121.856 121.223 0.198 0.000 2.171 1054 L HA -0.336 4.004 4.340 -0.000 0.000 0.216 1054 L C 2.565 179.342 176.870 -0.156 0.000 1.084 1054 L CA 1.625 56.493 54.840 0.046 0.000 0.771 1054 L CB -0.783 41.302 42.059 0.042 0.000 0.890 1054 L HN 0.200 nan 8.230 nan 0.000 0.437 1055 R N -0.857 119.522 120.500 -0.203 0.000 2.075 1055 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 1055 R C 2.433 178.405 176.300 -0.546 0.000 1.126 1055 R CA 1.527 57.446 56.100 -0.301 0.000 0.963 1055 R CB -0.245 29.889 30.300 -0.277 0.000 0.858 1055 R HN 0.282 nan 8.270 nan 0.000 0.435 1056 S N 0.441 115.793 115.700 -0.581 0.000 2.447 1056 S HA -0.012 4.458 4.470 -0.000 0.000 0.233 1056 S C 0.851 175.244 174.600 -0.344 0.000 1.006 1056 S CA 0.228 58.092 58.200 -0.559 0.000 0.957 1056 S CB -0.003 62.939 63.200 -0.430 0.000 0.773 1056 S HN 0.004 nan 8.310 nan 0.000 0.507 1057 V N 2.240 121.931 119.914 -0.372 0.000 3.061 1057 V HA -0.001 4.119 4.120 -0.000 0.000 0.306 1057 V C 0.729 176.769 176.094 -0.091 0.000 1.118 1057 V CA -0.169 61.990 62.300 -0.235 0.000 1.231 1057 V CB 0.272 31.974 31.823 -0.202 0.000 0.956 1057 V HN 0.091 nan 8.190 nan 0.000 0.499 1058 V N 3.936 123.848 119.914 -0.004 0.000 2.614 1058 V HA 0.110 4.229 4.120 -0.000 0.000 0.291 1058 V C 0.479 176.585 176.094 0.020 0.000 1.049 1058 V CA -0.271 62.071 62.300 0.069 0.000 1.038 1058 V CB 0.401 32.280 31.823 0.094 0.000 0.980 1058 V HN 0.791 nan 8.190 nan 0.000 0.481 1059 H N 5.560 124.591 119.070 -0.064 0.000 2.742 1059 H HA 0.196 4.752 4.556 -0.000 0.000 0.302 1059 H C -2.252 172.989 175.328 -0.145 0.000 1.069 1059 H CA -1.747 54.258 56.048 -0.072 0.000 1.446 1059 H CB 1.122 30.856 29.762 -0.047 0.000 1.462 1059 H HN 0.453 nan 8.280 nan 0.000 0.499 1060 P HA 0.017 nan 4.420 nan 0.000 0.266 1060 P C 0.861 177.945 177.300 -0.361 0.000 1.215 1060 P CA 0.809 63.711 63.100 -0.331 0.000 0.763 1060 P CB 0.808 32.132 31.700 -0.627 0.000 0.806 1061 G N 2.446 111.058 108.800 -0.313 0.000 3.288 1061 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.195 1061 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.195 1061 G C -0.051 174.721 174.900 -0.213 0.000 1.093 1061 G CA -0.531 44.422 45.100 -0.245 0.000 0.852 1061 G HN 0.459 nan 8.290 nan 0.000 0.453 1062 E N 2.049 122.137 120.200 -0.188 0.000 3.025 1062 E HA 0.002 4.352 4.350 -0.000 0.000 0.248 1062 E C 0.472 176.939 176.600 -0.221 0.000 0.938 1062 E CA 0.495 56.777 56.400 -0.198 0.000 0.958 1062 E CB 0.173 29.734 29.700 -0.231 0.000 0.898 1062 E HN 0.229 nan 8.360 nan 0.000 0.537 1063 M N 4.602 124.096 119.600 -0.177 0.000 3.709 1063 M HA -0.015 4.465 4.480 -0.000 0.000 0.197 1063 M C 1.262 177.477 176.300 -0.142 0.000 1.511 1063 M CA -0.095 55.110 55.300 -0.158 0.000 1.688 1063 M CB -0.769 31.752 32.600 -0.131 0.000 1.109 1063 M HN 0.264 nan 8.290 nan 0.000 0.561 1064 V N 1.115 120.922 119.914 -0.178 0.000 2.439 1064 V HA -0.292 3.828 4.120 -0.000 0.000 0.253 1064 V C 2.272 178.354 176.094 -0.020 0.000 1.074 1064 V CA 2.424 64.651 62.300 -0.122 0.000 1.076 1064 V CB -1.167 30.521 31.823 -0.226 0.000 0.664 1064 V HN 0.799 nan 8.190 nan 0.000 0.461 1065 G N -0.162 108.607 108.800 -0.053 0.000 2.604 1065 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 1065 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 1065 G C 1.638 176.488 174.900 -0.084 0.000 1.265 1065 G CA 1.340 46.405 45.100 -0.058 0.000 0.804 1065 G HN 0.345 nan 8.290 nan 0.000 0.579 1066 V N 1.043 120.896 119.914 -0.102 0.000 2.277 1066 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 1066 V C 2.766 178.791 176.094 -0.116 0.000 1.067 1066 V CA 1.890 64.123 62.300 -0.113 0.000 1.047 1066 V CB -0.759 31.001 31.823 -0.104 0.000 0.649 1066 V HN 0.335 nan 8.190 nan 0.000 0.447 1067 L N 0.860 122.020 121.223 -0.105 0.000 1.990 1067 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 1067 L C 2.521 179.261 176.870 -0.217 0.000 1.072 1067 L CA 2.643 57.402 54.840 -0.136 0.000 0.755 1067 L CB -1.560 40.454 42.059 -0.076 0.000 0.889 1067 L HN 0.292 nan 8.230 nan 0.000 0.432 1068 A N -0.612 122.146 122.820 -0.102 0.000 1.883 1068 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 1068 A C 2.467 179.952 177.584 -0.165 0.000 1.186 1068 A CA 2.449 54.433 52.037 -0.088 0.000 0.624 1068 A CB -1.208 17.840 19.000 0.081 0.000 0.822 1068 A HN 0.613 nan 8.150 nan 0.000 0.444 1069 A N -0.634 122.099 122.820 -0.144 0.000 1.865 1069 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 1069 A C 2.113 179.604 177.584 -0.156 0.000 1.191 1069 A CA 1.779 53.723 52.037 -0.155 0.000 0.623 1069 A CB -0.771 18.129 19.000 -0.166 0.000 0.826 1069 A HN 0.660 nan 8.150 nan 0.000 0.444 1070 Q N -0.316 119.393 119.800 -0.151 0.000 2.234 1070 Q HA -0.113 4.226 4.340 -0.000 0.000 0.206 1070 Q C 2.325 178.240 176.000 -0.143 0.000 0.980 1070 Q CA 1.541 57.273 55.803 -0.119 0.000 0.869 1070 Q CB -0.217 28.472 28.738 -0.082 0.000 0.912 1070 Q HN 0.628 nan 8.270 nan 0.000 0.436 1071 S N 0.402 115.947 115.700 -0.260 0.000 2.406 1071 S HA -0.022 4.448 4.470 -0.000 0.000 0.228 1071 S C 1.843 176.315 174.600 -0.214 0.000 1.020 1071 S CA 0.698 58.699 58.200 -0.332 0.000 0.965 1071 S CB 0.034 62.771 63.200 -0.773 0.000 0.798 1071 S HN 0.290 nan 8.310 nan 0.000 0.488 1072 I N 0.969 121.432 120.570 -0.178 0.000 2.400 1072 I HA -0.003 4.167 4.170 -0.000 0.000 0.248 1072 I C 2.571 178.621 176.117 -0.112 0.000 1.109 1072 I CA 0.738 61.955 61.300 -0.138 0.000 1.425 1072 I CB -0.771 37.151 38.000 -0.131 0.000 1.094 1072 I HN 0.324 nan 8.210 nan 0.000 0.425 1073 G N 0.594 109.329 108.800 -0.109 0.000 2.604 1073 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 1073 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 1073 G C 1.466 176.325 174.900 -0.068 0.000 1.265 1073 G CA 0.816 45.863 45.100 -0.087 0.000 0.804 1073 G HN 0.338 nan 8.290 nan 0.000 0.579 1074 E N 1.138 121.304 120.200 -0.057 0.000 2.136 1074 E HA -0.193 4.157 4.350 -0.000 0.000 0.208 1074 E C 0.318 176.898 176.600 -0.033 0.000 1.035 1074 E CA 2.066 58.443 56.400 -0.039 0.000 0.838 1074 E CB -0.963 28.772 29.700 0.059 0.000 0.748 1074 E HN 0.384 nan 8.360 nan 0.000 0.459 1075 P HA -0.067 nan 4.420 nan 0.000 0.226 1075 P C 0.981 178.257 177.300 -0.040 0.000 1.153 1075 P CA 1.568 64.642 63.100 -0.042 0.000 0.777 1075 P CB -0.083 31.578 31.700 -0.065 0.000 0.794 1076 A N -0.136 122.657 122.820 -0.045 0.000 2.016 1076 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 1076 A C 2.193 179.762 177.584 -0.026 0.000 1.162 1076 A CA 1.584 53.600 52.037 -0.035 0.000 0.662 1076 A CB -1.568 17.409 19.000 -0.039 0.000 0.812 1076 A HN 0.157 nan 8.150 nan 0.000 0.450 1077 T N 0.609 115.145 114.554 -0.032 0.000 2.904 1077 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 1077 T C 1.358 176.043 174.700 -0.024 0.000 1.059 1077 T CA 1.218 63.300 62.100 -0.029 0.000 1.137 1077 T CB -0.141 68.701 68.868 -0.044 0.000 0.879 1077 T HN 0.553 nan 8.240 nan 0.000 0.467 1078 Q N 0.605 120.390 119.800 -0.024 0.000 2.253 1078 Q HA 0.263 4.603 4.340 -0.000 0.000 0.210 1078 Q C -0.042 175.952 176.000 -0.010 0.000 0.907 1078 Q CA 0.084 55.876 55.803 -0.017 0.000 0.948 1078 Q CB -0.373 28.356 28.738 -0.016 0.000 1.033 1078 Q HN 0.536 nan 8.270 nan 0.000 0.471 1079 M N 1.681 121.276 119.600 -0.010 0.000 2.261 1079 M HA 0.134 4.614 4.480 -0.000 0.000 0.349 1079 M C -0.386 175.914 176.300 0.000 0.000 1.305 1079 M CA 0.104 55.401 55.300 -0.004 0.000 1.240 1079 M CB 0.565 33.163 32.600 -0.004 0.000 1.394 1079 M HN -0.167 nan 8.290 nan 0.000 0.438 1080 T N 5.359 119.915 114.554 0.003 0.000 2.992 1080 T HA 0.453 4.802 4.350 -0.000 0.000 0.299 1080 T C 0.304 175.009 174.700 0.009 0.000 1.027 1080 T CA -0.128 61.976 62.100 0.006 0.000 1.001 1080 T CB -0.185 68.688 68.868 0.009 0.000 1.005 1080 T HN 0.463 nan 8.240 nan 0.000 0.599 1093 K N 2.049 122.464 120.400 0.024 0.000 2.367 1093 K HA 0.064 4.383 4.320 -0.000 0.000 0.275 1093 K C -0.452 176.160 176.600 0.020 0.000 1.125 1093 K CA 0.447 56.745 56.287 0.018 0.000 1.133 1093 K CB 0.299 32.804 32.500 0.008 0.000 0.875 1093 K HN -0.081 nan 8.250 nan 0.000 0.467 1094 V N 2.775 122.704 119.914 0.025 0.000 2.656 1094 V HA 0.209 4.329 4.120 -0.000 0.000 0.307 1094 V C -0.150 175.961 176.094 0.028 0.000 1.051 1094 V CA -1.236 61.080 62.300 0.027 0.000 0.893 1094 V CB 2.037 33.882 31.823 0.036 0.000 0.999 1094 V HN 0.859 nan 8.190 nan 0.000 0.426 1095 T N 1.908 116.477 114.554 0.026 0.000 2.709 1095 T HA 0.257 4.607 4.350 -0.000 0.000 0.269 1095 T C 0.232 174.953 174.700 0.036 0.000 1.008 1095 T CA 0.238 62.355 62.100 0.028 0.000 1.194 1095 T CB -0.171 68.715 68.868 0.030 0.000 0.986 1095 T HN 1.064 nan 8.240 nan 0.000 0.508 1096 S N 1.590 117.309 115.700 0.032 0.000 2.618 1096 S HA 0.900 5.370 4.470 -0.000 0.000 0.277 1096 S C 0.286 174.903 174.600 0.028 0.000 1.138 1096 S CA -0.346 57.874 58.200 0.034 0.000 0.844 1096 S CB 1.694 64.915 63.200 0.034 0.000 1.127 1096 S HN 2.166 nan 8.310 nan 0.000 0.474 1097 G N 0.328 109.144 108.800 0.027 0.000 2.681 1097 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.220 1097 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.220 1097 G C 0.519 175.431 174.900 0.019 0.000 1.353 1097 G CA -0.115 44.997 45.100 0.020 0.000 0.872 1097 G HN 1.646 nan 8.290 nan 0.000 0.557 1098 V N 2.134 122.057 119.914 0.015 0.000 2.236 1098 V HA -0.240 3.880 4.120 -0.000 0.000 0.255 1098 V C 0.977 177.088 176.094 0.028 0.000 1.068 1098 V CA 3.401 65.712 62.300 0.018 0.000 1.044 1098 V CB -1.644 30.189 31.823 0.016 0.000 0.653 1098 V HN 0.854 nan 8.190 nan 0.000 0.448 1099 P HA -0.189 nan 4.420 nan 0.000 0.221 1099 P C 1.455 178.781 177.300 0.043 0.000 1.145 1099 P CA 1.628 64.750 63.100 0.035 0.000 0.795 1099 P CB 0.023 31.740 31.700 0.028 0.000 0.775 1100 R N 0.322 120.847 120.500 0.042 0.000 2.075 1100 R HA 0.023 4.363 4.340 -0.000 0.000 0.220 1100 R C 2.277 178.612 176.300 0.058 0.000 1.118 1100 R CA 0.697 56.829 56.100 0.053 0.000 0.986 1100 R CB -1.855 28.474 30.300 0.050 0.000 0.884 1100 R HN 0.033 nan 8.270 nan 0.000 0.439 1101 L N 1.338 122.585 121.223 0.039 0.000 2.079 1101 L HA -0.099 4.240 4.340 -0.000 0.000 0.210 1101 L C 2.073 178.969 176.870 0.043 0.000 1.081 1101 L CA 2.044 56.899 54.840 0.026 0.000 0.752 1101 L CB -0.614 41.448 42.059 0.005 0.000 0.896 1101 L HN 0.297 nan 8.230 nan 0.000 0.433 1102 K N -0.631 119.801 120.400 0.053 0.000 2.057 1102 K HA -0.229 4.091 4.320 -0.000 0.000 0.206 1102 K C 2.131 178.784 176.600 0.087 0.000 1.050 1102 K CA 1.643 57.973 56.287 0.072 0.000 0.935 1102 K CB -0.137 32.408 32.500 0.074 0.000 0.715 1102 K HN 0.483 nan 8.250 nan 0.000 0.439 1103 E N 0.524 120.775 120.200 0.086 0.000 2.038 1103 E HA -0.208 4.141 4.350 -0.000 0.000 0.195 1103 E C 1.918 178.607 176.600 0.148 0.000 1.000 1103 E CA 1.699 58.159 56.400 0.100 0.000 0.803 1103 E CB -0.042 29.713 29.700 0.092 0.000 0.750 1103 E HN 0.300 nan 8.360 nan 0.000 0.448 1104 I N 0.660 121.327 120.570 0.163 0.000 2.060 1104 I HA -0.321 3.849 4.170 -0.000 0.000 0.233 1104 I C 2.422 178.654 176.117 0.190 0.000 1.054 1104 I CA 1.062 62.497 61.300 0.225 0.000 1.318 1104 I CB -0.660 37.397 38.000 0.095 0.000 1.054 1104 I HN 0.162 nan 8.210 nan 0.000 0.395 1105 L N 0.892 122.173 121.223 0.097 0.000 2.302 1105 L HA -0.282 4.058 4.340 -0.000 0.000 0.218 1105 L C 1.942 178.890 176.870 0.130 0.000 1.100 1105 L CA 1.230 56.119 54.840 0.081 0.000 0.774 1105 L CB -0.935 41.146 42.059 0.036 0.000 0.896 1105 L HN 0.436 nan 8.230 nan 0.000 0.439 1106 N N -0.602 118.186 118.700 0.147 0.000 2.412 1106 N HA 0.014 4.754 4.740 -0.000 0.000 0.184 1106 N C 0.845 176.450 175.510 0.158 0.000 1.101 1106 N CA 0.306 53.448 53.050 0.153 0.000 0.881 1106 N CB 0.768 39.336 38.487 0.135 0.000 0.969 1106 N HN 0.018 nan 8.380 nan 0.000 0.459 1107 V N 1.012 121.049 119.914 0.205 0.000 4.935 1107 V HA -0.300 3.820 4.120 -0.000 0.000 0.273 1107 V C 0.616 176.745 176.094 0.058 0.000 0.517 1107 V CA 0.555 62.962 62.300 0.179 0.000 0.745 1107 V CB -2.399 29.522 31.823 0.162 0.000 0.647 1107 V HN 0.425 nan 8.190 nan 0.000 1.220 1108 A N 0.179 123.039 122.820 0.068 0.000 2.565 1108 A HA 0.297 4.617 4.320 -0.000 0.000 0.237 1108 A C 1.167 178.724 177.584 -0.044 0.000 1.053 1108 A CA 1.186 53.238 52.037 0.025 0.000 0.755 1108 A CB 0.352 19.378 19.000 0.043 0.000 0.980 1108 A HN 0.575 nan 8.150 nan 0.000 0.506 1109 K N 1.546 121.922 120.400 -0.040 0.000 2.099 1109 K HA -0.005 4.315 4.320 -0.000 0.000 0.203 1109 K C 0.443 177.004 176.600 -0.065 0.000 1.047 1109 K CA 1.605 57.850 56.287 -0.071 0.000 0.963 1109 K CB 0.081 32.548 32.500 -0.055 0.000 0.759 1109 K HN 0.777 nan 8.250 nan 0.000 0.451 1110 N N 3.087 121.763 118.700 -0.040 0.000 2.994 1110 N HA 0.072 4.812 4.740 -0.000 0.000 0.306 1110 N C -0.104 175.391 175.510 -0.025 0.000 1.348 1110 N CA -0.106 52.923 53.050 -0.034 0.000 1.109 1110 N CB -0.412 38.060 38.487 -0.025 0.000 1.415 1110 N HN 0.361 nan 8.380 nan 0.000 0.529 1111 M N -1.446 118.136 119.600 -0.030 0.000 2.216 1111 M HA -0.005 4.475 4.480 -0.000 0.000 0.317 1111 M C 0.758 177.053 176.300 -0.009 0.000 1.015 1111 M CA 0.506 55.800 55.300 -0.011 0.000 1.045 1111 M CB 0.810 33.401 32.600 -0.014 0.000 1.538 1111 M HN -0.046 nan 8.290 nan 0.000 0.440 1112 K N 1.326 121.728 120.400 0.003 0.000 1.987 1112 K HA 0.018 4.338 4.320 -0.000 0.000 0.222 1112 K C 0.378 176.976 176.600 -0.003 0.000 1.029 1112 K CA 1.513 57.800 56.287 0.000 0.000 1.011 1112 K CB -0.583 31.921 32.500 0.007 0.000 0.769 1112 K HN 0.787 nan 8.250 nan 0.000 0.444 1113 T N 4.097 118.653 114.554 0.003 0.000 2.829 1113 T HA 0.050 4.400 4.350 -0.000 0.000 0.293 1113 T C -2.170 172.526 174.700 -0.007 0.000 0.970 1113 T CA -0.519 61.581 62.100 0.001 0.000 1.168 1113 T CB 0.681 69.555 68.868 0.010 0.000 0.911 1113 T HN 0.266 nan 8.240 nan 0.000 0.535 1114 P HA 0.298 nan 4.420 nan 0.000 0.287 1114 P C 0.105 177.381 177.300 -0.041 0.000 1.745 1114 P CA -0.397 62.683 63.100 -0.033 0.000 1.243 1114 P CB 0.552 32.228 31.700 -0.041 0.000 1.973 1115 S N 1.636 117.316 115.700 -0.032 0.000 2.687 1115 S HA 0.286 4.755 4.470 -0.000 0.000 0.248 1115 S C 0.027 174.586 174.600 -0.068 0.000 1.390 1115 S CA 0.495 58.674 58.200 -0.034 0.000 0.963 1115 S CB -0.106 63.087 63.200 -0.012 0.000 0.957 1115 S HN 0.404 nan 8.310 nan 0.000 0.584 1116 L N 1.171 122.355 121.223 -0.064 0.000 2.905 1116 L HA 0.384 4.724 4.340 -0.000 0.000 0.260 1116 L C -1.022 175.806 176.870 -0.069 0.000 0.933 1116 L CA -0.020 54.766 54.840 -0.090 0.000 1.034 1116 L CB 1.018 43.034 42.059 -0.072 0.000 1.550 1116 L HN 0.570 nan 8.230 nan 0.000 0.480 1117 T N 4.696 119.203 114.554 -0.078 0.000 2.733 1117 T HA 0.649 4.999 4.350 -0.000 0.000 0.294 1117 T C -0.152 174.421 174.700 -0.213 0.000 0.956 1117 T CA -0.141 61.880 62.100 -0.131 0.000 0.987 1117 T CB 0.960 69.766 68.868 -0.103 0.000 0.920 1117 T HN 0.737 nan 8.240 nan 0.000 0.470 1118 V N 2.360 122.149 119.914 -0.208 0.000 2.370 1118 V HA 0.592 4.712 4.120 -0.000 0.000 0.283 1118 V C -1.032 174.964 176.094 -0.164 0.000 1.023 1118 V CA -1.184 61.038 62.300 -0.130 0.000 0.857 1118 V CB -0.033 31.771 31.823 -0.032 0.000 0.985 1118 V HN 0.724 nan 8.190 nan 0.000 0.443 1119 Y N 4.956 125.310 120.300 0.089 0.000 2.308 1119 Y HA 0.653 5.203 4.550 -0.000 0.000 0.329 1119 Y C 0.522 176.459 175.900 0.062 0.000 1.111 1119 Y CA -1.069 57.081 58.100 0.084 0.000 1.179 1119 Y CB 1.490 40.004 38.460 0.090 0.000 1.201 1119 Y HN 0.778 nan 8.280 nan 0.000 0.483 1120 L N -0.550 120.798 121.223 0.209 0.000 2.474 1120 L HA 0.306 4.646 4.340 -0.000 0.000 0.259 1120 L C 0.160 177.069 176.870 0.064 0.000 1.232 1120 L CA -0.868 54.053 54.840 0.136 0.000 0.821 1120 L CB 0.163 42.313 42.059 0.151 0.000 1.108 1120 L HN 0.522 nan 8.230 nan 0.000 0.495 1121 E N 0.957 121.148 120.200 -0.015 0.000 2.398 1121 E HA 0.061 4.411 4.350 -0.000 0.000 0.263 1121 E C -1.657 174.732 176.600 -0.351 0.000 1.046 1121 E CA -1.049 55.257 56.400 -0.158 0.000 0.908 1121 E CB 0.569 30.214 29.700 -0.091 0.000 0.963 1121 E HN 0.523 nan 8.360 nan 0.000 0.431 1122 P HA -0.338 nan 4.420 nan 0.000 0.216 1122 P C 0.971 178.150 177.300 -0.201 0.000 1.062 1122 P CA 2.189 65.191 63.100 -0.164 0.000 0.995 1122 P CB -0.083 31.556 31.700 -0.102 0.000 0.762 1123 G N -0.101 108.544 108.800 -0.258 0.000 2.666 1123 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 1123 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 1123 G C 0.151 175.019 174.900 -0.053 0.000 1.294 1123 G CA 0.815 45.857 45.100 -0.096 0.000 0.811 1123 G HN 0.455 nan 8.290 nan 0.000 0.594 1124 H N 1.378 120.479 119.070 0.050 0.000 3.643 1124 H HA 0.406 4.962 4.556 -0.000 0.000 0.219 1124 H C 0.963 176.350 175.328 0.098 0.000 1.120 1124 H CA 0.179 56.266 56.048 0.065 0.000 1.448 1124 H CB -0.548 29.245 29.762 0.051 0.000 1.639 1124 H HN 0.294 nan 8.280 nan 0.000 0.574 1125 A N 3.209 126.115 122.820 0.143 0.000 2.010 1125 A HA 0.391 4.711 4.320 -0.000 0.000 0.210 1125 A C 2.146 179.878 177.584 0.247 0.000 1.479 1125 A CA 0.458 52.582 52.037 0.145 0.000 0.748 1125 A CB -0.496 18.549 19.000 0.075 0.000 1.125 1125 A HN 0.606 nan 8.150 nan 0.000 0.522 1126 A N 0.023 122.970 122.820 0.213 0.000 2.252 1126 A HA 0.142 4.462 4.320 -0.000 0.000 0.207 1126 A C 0.586 178.425 177.584 0.425 0.000 1.194 1126 A CA 0.675 52.883 52.037 0.287 0.000 0.809 1126 A CB -0.653 18.440 19.000 0.155 0.000 0.814 1126 A HN 0.347 nan 8.150 nan 0.000 0.482 1127 D N 0.485 121.075 120.400 0.317 0.000 2.479 1127 D HA 0.056 4.696 4.640 -0.000 0.000 0.253 1127 D C 1.380 177.681 176.300 0.001 0.000 1.278 1127 D CA 0.104 54.205 54.000 0.168 0.000 1.145 1127 D CB 0.221 41.109 40.800 0.147 0.000 1.118 1127 D HN 0.418 nan 8.370 nan 0.000 0.513 1128 Q N 2.385 122.131 119.800 -0.091 0.000 2.156 1128 Q HA -0.262 4.078 4.340 -0.000 0.000 0.211 1128 Q C 1.380 177.087 176.000 -0.489 0.000 0.995 1128 Q CA 1.737 57.183 55.803 -0.595 0.000 0.877 1128 Q CB 0.022 28.602 28.738 -0.263 0.000 0.920 1128 Q HN 0.409 nan 8.270 nan 0.000 0.416 1129 E N -0.027 120.032 120.200 -0.235 0.000 2.001 1129 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 1129 E C 1.905 178.407 176.600 -0.163 0.000 1.002 1129 E CA 1.489 57.781 56.400 -0.180 0.000 0.819 1129 E CB -0.629 29.008 29.700 -0.105 0.000 0.769 1129 E HN 0.471 nan 8.360 nan 0.000 0.454 1130 Q N 0.658 120.399 119.800 -0.098 0.000 2.188 1130 Q HA -0.287 4.053 4.340 -0.000 0.000 0.217 1130 Q C 1.830 177.791 176.000 -0.065 0.000 1.018 1130 Q CA 2.659 58.431 55.803 -0.051 0.000 0.910 1130 Q CB -0.782 27.984 28.738 0.047 0.000 0.979 1130 Q HN 0.312 nan 8.270 nan 0.000 0.413 1131 A N 0.309 123.053 122.820 -0.127 0.000 1.837 1131 A HA -0.322 3.998 4.320 -0.000 0.000 0.216 1131 A C 1.931 179.421 177.584 -0.156 0.000 1.210 1131 A CA 2.324 54.273 52.037 -0.146 0.000 0.632 1131 A CB -0.821 17.988 19.000 -0.318 0.000 0.843 1131 A HN 0.506 nan 8.150 nan 0.000 0.448 1132 K N -0.452 119.813 120.400 -0.225 0.000 2.071 1132 K HA -0.257 4.063 4.320 -0.000 0.000 0.217 1132 K C 1.931 178.453 176.600 -0.131 0.000 1.054 1132 K CA 1.982 58.153 56.287 -0.194 0.000 0.937 1132 K CB -0.781 31.598 32.500 -0.201 0.000 0.719 1132 K HN 0.529 nan 8.250 nan 0.000 0.454 1133 L N 0.742 121.900 121.223 -0.109 0.000 1.971 1133 L HA -0.261 4.079 4.340 -0.000 0.000 0.215 1133 L C 2.497 179.334 176.870 -0.056 0.000 1.072 1133 L CA 1.623 56.417 54.840 -0.076 0.000 0.758 1133 L CB -0.817 41.202 42.059 -0.067 0.000 0.889 1133 L HN 0.233 nan 8.230 nan 0.000 0.433 1134 I N -0.598 119.947 120.570 -0.042 0.000 2.179 1134 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 1134 I C 2.875 178.975 176.117 -0.029 0.000 1.088 1134 I CA 1.391 62.678 61.300 -0.020 0.000 1.357 1134 I CB -0.795 37.207 38.000 0.004 0.000 1.051 1134 I HN 0.357 nan 8.210 nan 0.000 0.409 1135 R N 1.971 122.441 120.500 -0.051 0.000 2.112 1135 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 1135 R C 1.656 177.931 176.300 -0.041 0.000 1.137 1135 R CA 2.411 58.479 56.100 -0.053 0.000 0.944 1135 R CB -0.915 29.324 30.300 -0.101 0.000 0.857 1135 R HN 0.266 nan 8.270 nan 0.000 0.435 1136 S N 0.089 115.755 115.700 -0.057 0.000 2.906 1136 S HA 0.246 4.716 4.470 -0.000 0.000 0.234 1136 S C 0.707 175.286 174.600 -0.035 0.000 0.973 1136 S CA 0.351 58.523 58.200 -0.047 0.000 1.036 1136 S CB 0.567 63.730 63.200 -0.062 0.000 0.798 1136 S HN 0.591 nan 8.310 nan 0.000 0.498 1137 A N 0.307 123.113 122.820 -0.023 0.000 2.474 1137 A HA 0.418 4.738 4.320 -0.000 0.000 0.221 1137 A C 1.319 178.902 177.584 -0.001 0.000 1.298 1137 A CA -0.240 51.788 52.037 -0.015 0.000 1.008 1137 A CB 0.142 19.134 19.000 -0.014 0.000 1.217 1137 A HN 0.547 nan 8.150 nan 0.000 0.553 1138 I N -3.538 117.035 120.570 0.005 0.000 3.812 1138 I HA 0.318 4.488 4.170 -0.000 0.000 0.292 1138 I C 0.750 176.889 176.117 0.038 0.000 1.206 1138 I CA 0.090 61.402 61.300 0.019 0.000 1.370 1138 I CB -0.238 37.770 38.000 0.014 0.000 1.328 1138 I HN 0.114 nan 8.210 nan 0.000 0.453 1139 E N 3.379 123.599 120.200 0.034 0.000 2.341 1139 E HA -0.116 4.234 4.350 -0.000 0.000 0.256 1139 E C -0.149 176.494 176.600 0.071 0.000 1.125 1139 E CA -0.052 56.382 56.400 0.058 0.000 0.939 1139 E CB -0.037 29.697 29.700 0.057 0.000 0.991 1139 E HN 0.395 nan 8.360 nan 0.000 0.458 1140 H N 3.333 122.401 119.070 -0.003 0.000 3.064 1140 H HA -0.003 4.553 4.556 -0.000 0.000 0.329 1140 H C -0.981 174.342 175.328 -0.008 0.000 1.020 1140 H CA 1.048 57.091 56.048 -0.009 0.000 1.402 1140 H CB 0.615 30.370 29.762 -0.012 0.000 1.379 1140 H HN 0.378 nan 8.280 nan 0.000 0.594 1141 T N 4.953 119.201 114.554 -0.511 0.000 3.143 1141 T HA 0.262 4.612 4.350 -0.000 0.000 0.312 1141 T C -0.710 173.739 174.700 -0.417 0.000 0.986 1141 T CA -0.607 61.295 62.100 -0.330 0.000 1.024 1141 T CB 0.814 69.585 68.868 -0.163 0.000 1.030 1141 T HN 0.757 nan 8.240 nan 0.000 0.448 1142 T N 0.904 115.289 114.554 -0.282 0.000 2.943 1142 T HA 0.531 4.880 4.350 -0.000 0.000 0.284 1142 T C 1.347 175.992 174.700 -0.092 0.000 1.015 1142 T CA -0.941 61.058 62.100 -0.169 0.000 1.042 1142 T CB 1.149 69.987 68.868 -0.050 0.000 1.055 1142 T HN 0.216 nan 8.240 nan 0.000 0.500 1143 L N 1.090 122.274 121.223 -0.065 0.000 2.043 1143 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 1143 L C 2.528 179.380 176.870 -0.030 0.000 1.075 1143 L CA 1.967 56.780 54.840 -0.045 0.000 0.752 1143 L CB -1.101 40.945 42.059 -0.022 0.000 0.891 1143 L HN 0.940 nan 8.230 nan 0.000 0.432 1144 K N -0.794 119.597 120.400 -0.016 0.000 2.160 1144 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 1144 K C 1.913 178.506 176.600 -0.012 0.000 1.047 1144 K CA 1.528 57.811 56.287 -0.006 0.000 0.930 1144 K CB -0.123 32.381 32.500 0.006 0.000 0.720 1144 K HN 0.632 nan 8.250 nan 0.000 0.450 1145 S N -0.258 115.429 115.700 -0.021 0.000 2.474 1145 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 1145 S C 1.774 176.359 174.600 -0.025 0.000 0.997 1145 S CA 0.981 59.167 58.200 -0.022 0.000 0.949 1145 S CB -0.021 63.161 63.200 -0.029 0.000 0.766 1145 S HN 0.275 nan 8.310 nan 0.000 0.517 1146 V N -2.008 117.888 119.914 -0.030 0.000 3.455 1146 V HA 0.212 4.332 4.120 -0.000 0.000 0.250 1146 V C 0.705 176.784 176.094 -0.024 0.000 1.230 1146 V CA 0.002 62.284 62.300 -0.030 0.000 1.105 1146 V CB -1.194 30.603 31.823 -0.042 0.000 0.850 1146 V HN 0.252 nan 8.190 nan 0.000 0.461 1147 T N 2.065 116.607 114.554 -0.021 0.000 2.902 1147 T HA 0.384 4.734 4.350 -0.000 0.000 0.301 1147 T C 1.150 175.846 174.700 -0.006 0.000 1.012 1147 T CA 0.568 62.660 62.100 -0.013 0.000 1.151 1147 T CB 1.339 70.202 68.868 -0.008 0.000 0.946 1147 T HN 0.265 nan 8.240 nan 0.000 0.542 1148 I N 1.248 121.816 120.570 -0.003 0.000 2.731 1148 I HA 0.328 4.498 4.170 -0.000 0.000 0.260 1148 I C 1.158 177.281 176.117 0.010 0.000 1.138 1148 I CA 0.228 61.529 61.300 0.003 0.000 1.461 1148 I CB 0.102 38.104 38.000 0.003 0.000 1.128 1148 I HN 0.666 nan 8.210 nan 0.000 0.438 1149 A N 0.237 123.065 122.820 0.014 0.000 2.590 1149 A HA 0.580 4.899 4.320 -0.000 0.000 0.296 1149 A C -0.834 176.767 177.584 0.029 0.000 1.050 1149 A CA -0.463 51.588 52.037 0.024 0.000 0.697 1149 A CB 0.985 20.004 19.000 0.032 0.000 1.277 1149 A HN 0.083 nan 8.150 nan 0.000 0.411 1150 S N 0.695 116.417 115.700 0.037 0.000 2.503 1150 S HA 0.865 5.335 4.470 -0.000 0.000 0.301 1150 S C -0.736 173.909 174.600 0.075 0.000 1.087 1150 S CA -0.580 57.645 58.200 0.042 0.000 1.042 1150 S CB 1.706 64.925 63.200 0.032 0.000 1.043 1150 S HN 0.699 nan 8.310 nan 0.000 0.489 1151 E N 1.140 121.405 120.200 0.110 0.000 2.343 1151 E HA 0.538 4.888 4.350 -0.000 0.000 0.270 1151 E C -1.220 175.525 176.600 0.241 0.000 0.895 1151 E CA -0.760 55.765 56.400 0.208 0.000 0.767 1151 E CB 2.244 32.189 29.700 0.409 0.000 1.248 1151 E HN 0.612 nan 8.360 nan 0.000 0.440 1152 I N 3.004 123.737 120.570 0.272 0.000 2.411 1152 I HA 0.312 4.482 4.170 -0.000 0.000 0.284 1152 I C -1.113 175.263 176.117 0.431 0.000 1.012 1152 I CA -0.641 60.825 61.300 0.276 0.000 1.119 1152 I CB 0.368 38.446 38.000 0.130 0.000 1.261 1152 I HN 0.393 nan 8.210 nan 0.000 0.448 1153 Y N 4.684 125.080 120.300 0.160 0.000 2.545 1153 Y HA 0.318 4.868 4.550 -0.000 0.000 0.324 1153 Y C -0.384 175.680 175.900 0.273 0.000 1.220 1153 Y CA -1.119 57.091 58.100 0.184 0.000 1.290 1153 Y CB 0.915 39.431 38.460 0.093 0.000 1.355 1153 Y HN 0.362 nan 8.280 nan 0.000 0.516 1154 Y N 1.890 122.347 120.300 0.261 0.000 2.587 1154 Y HA 0.342 4.892 4.550 -0.000 0.000 0.328 1154 Y C -0.973 174.912 175.900 -0.024 0.000 0.980 1154 Y CA -0.679 57.410 58.100 -0.018 0.000 1.272 1154 Y CB 0.374 38.728 38.460 -0.176 0.000 1.094 1154 Y HN 0.500 nan 8.280 nan 0.000 0.503 1155 D N 8.706 128.829 120.400 -0.462 0.000 2.420 1155 D HA 0.227 4.866 4.640 -0.000 0.000 0.255 1155 D C -2.154 173.858 176.300 -0.480 0.000 1.185 1155 D CA -1.762 52.049 54.000 -0.316 0.000 0.904 1155 D CB 2.172 42.907 40.800 -0.110 0.000 1.102 1155 D HN 0.317 nan 8.370 nan 0.000 0.534 1156 P HA -0.029 nan 4.420 nan 0.000 0.225 1156 P C 0.225 177.411 177.300 -0.189 0.000 1.156 1156 P CA 0.340 63.182 63.100 -0.430 0.000 0.787 1156 P CB 0.583 32.098 31.700 -0.308 0.000 0.802 1157 D N 1.782 122.110 120.400 -0.120 0.000 2.441 1157 D HA 0.106 4.745 4.640 -0.000 0.000 0.221 1157 D C -1.218 175.069 176.300 -0.022 0.000 1.156 1157 D CA -2.587 51.383 54.000 -0.050 0.000 0.896 1157 D CB 0.551 41.340 40.800 -0.018 0.000 1.028 1157 D HN 0.042 nan 8.370 nan 0.000 0.509 1158 P HA -0.142 nan 4.420 nan 0.000 0.227 1158 P C 0.263 177.650 177.300 0.144 0.000 1.145 1158 P CA 0.631 63.756 63.100 0.041 0.000 0.769 1158 P CB 0.297 31.999 31.700 0.004 0.000 0.769 1159 R N -1.346 119.239 120.500 0.142 0.000 2.543 1159 R HA 0.368 4.707 4.340 -0.000 0.000 0.323 1159 R C 0.046 176.424 176.300 0.128 0.000 1.002 1159 R CA -0.003 56.261 56.100 0.274 0.000 1.106 1159 R CB 0.475 30.949 30.300 0.290 0.000 1.280 1159 R HN -0.050 nan 8.270 nan 0.000 0.549 1160 S N -0.297 115.432 115.700 0.047 0.000 2.590 1160 S HA 0.244 4.714 4.470 -0.000 0.000 0.286 1160 S C -1.051 173.542 174.600 -0.013 0.000 1.147 1160 S CA -0.626 57.576 58.200 0.004 0.000 0.963 1160 S CB 0.965 64.174 63.200 0.016 0.000 1.124 1160 S HN 0.103 nan 8.310 nan 0.000 0.458 1161 T N 3.633 118.170 114.554 -0.029 0.000 2.889 1161 T HA 0.254 4.603 4.350 -0.000 0.000 0.291 1161 T C 1.414 176.116 174.700 0.003 0.000 0.995 1161 T CA -0.557 61.526 62.100 -0.027 0.000 1.092 1161 T CB 1.357 70.190 68.868 -0.058 0.000 0.954 1161 T HN 0.536 nan 8.240 nan 0.000 0.506 1162 V N 2.798 122.732 119.914 0.034 0.000 3.488 1162 V HA 0.049 4.169 4.120 -0.000 0.000 0.273 1162 V C 0.583 176.723 176.094 0.078 0.000 1.209 1162 V CA 0.949 63.287 62.300 0.063 0.000 1.179 1162 V CB -1.443 30.441 31.823 0.101 0.000 0.842 1162 V HN 0.684 nan 8.190 nan 0.000 0.515 1163 I N 2.010 122.612 120.570 0.052 0.000 2.362 1163 I HA 0.274 4.444 4.170 -0.000 0.000 0.289 1163 I C -0.943 175.181 176.117 0.012 0.000 0.994 1163 I CA -2.022 59.308 61.300 0.050 0.000 1.158 1163 I CB 2.136 40.146 38.000 0.016 0.000 1.315 1163 I HN -0.036 nan 8.210 nan 0.000 0.451 1164 P HA -0.179 nan 4.420 nan 0.000 0.215 1164 P C 0.857 178.152 177.300 -0.009 0.000 1.153 1164 P CA 1.583 64.686 63.100 0.005 0.000 0.853 1164 P CB 0.339 32.047 31.700 0.013 0.000 0.788 1165 E N 0.235 120.431 120.200 -0.008 0.000 2.028 1165 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 1165 E C 1.861 178.439 176.600 -0.037 0.000 0.988 1165 E CA 1.204 57.594 56.400 -0.018 0.000 0.799 1165 E CB -0.714 28.979 29.700 -0.011 0.000 0.755 1165 E HN 0.187 nan 8.360 nan 0.000 0.447 1166 D N 0.708 121.076 120.400 -0.052 0.000 2.218 1166 D HA -0.136 4.504 4.640 -0.000 0.000 0.204 1166 D C 1.698 177.948 176.300 -0.082 0.000 0.976 1166 D CA 0.551 54.504 54.000 -0.078 0.000 0.853 1166 D CB -0.076 40.661 40.800 -0.105 0.000 0.939 1166 D HN 0.103 nan 8.370 nan 0.000 0.481 1167 E N 0.514 120.675 120.200 -0.064 0.000 2.136 1167 E HA -0.296 4.054 4.350 -0.000 0.000 0.208 1167 E C 1.867 178.412 176.600 -0.092 0.000 1.035 1167 E CA 1.318 57.676 56.400 -0.069 0.000 0.838 1167 E CB -0.230 29.444 29.700 -0.044 0.000 0.748 1167 E HN 0.360 nan 8.360 nan 0.000 0.459 1168 E N 0.947 121.102 120.200 -0.076 0.000 2.026 1168 E HA -0.203 4.147 4.350 -0.000 0.000 0.206 1168 E C 2.125 178.657 176.600 -0.113 0.000 1.028 1168 E CA 1.782 58.135 56.400 -0.079 0.000 0.845 1168 E CB -0.682 28.985 29.700 -0.055 0.000 0.772 1168 E HN 0.332 nan 8.360 nan 0.000 0.462 1169 I N 0.148 120.651 120.570 -0.112 0.000 2.367 1169 I HA -0.322 3.848 4.170 -0.000 0.000 0.256 1169 I C 2.037 178.032 176.117 -0.204 0.000 1.132 1169 I CA 1.086 62.304 61.300 -0.136 0.000 1.397 1169 I CB -0.553 37.372 38.000 -0.125 0.000 1.074 1169 I HN 0.187 nan 8.210 nan 0.000 0.435 1170 I N 0.646 121.054 120.570 -0.270 0.000 2.206 1170 I HA -0.245 3.925 4.170 -0.000 0.000 0.239 1170 I C 2.635 178.246 176.117 -0.844 0.000 1.078 1170 I CA 1.289 62.305 61.300 -0.474 0.000 1.367 1170 I CB -1.104 36.630 38.000 -0.443 0.000 1.078 1170 I HN 0.180 nan 8.210 nan 0.000 0.413 1171 Q N 1.353 120.752 119.800 -0.668 0.000 2.152 1171 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 1171 Q C 2.116 177.948 176.000 -0.279 0.000 0.985 1171 Q CA 1.795 57.276 55.803 -0.537 0.000 0.863 1171 Q CB -1.034 27.584 28.738 -0.200 0.000 0.904 1171 Q HN 0.484 nan 8.270 nan 0.000 0.422 1172 L N -0.145 120.958 121.223 -0.200 0.000 2.046 1172 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 1172 L C 1.978 178.808 176.870 -0.068 0.000 1.077 1172 L CA 1.139 55.919 54.840 -0.099 0.000 0.747 1172 L CB -0.602 41.405 42.059 -0.086 0.000 0.896 1172 L HN 0.483 nan 8.230 nan 0.000 0.432 1173 H N -0.566 118.388 119.070 -0.193 0.000 2.794 1173 H HA 0.086 4.642 4.556 -0.000 0.000 0.256 1173 H C 0.490 175.935 175.328 0.196 0.000 1.637 1173 H CA 0.247 56.244 56.048 -0.086 0.000 1.222 1173 H CB -0.262 29.394 29.762 -0.176 0.000 1.545 1173 H HN 0.292 nan 8.280 nan 0.000 0.518 1174 F N -1.034 118.902 119.950 -0.022 0.000 2.767 1174 F HA 0.052 4.578 4.527 -0.000 0.000 0.329 1174 F C 1.143 176.904 175.800 -0.066 0.000 0.912 1174 F CA -0.431 57.564 58.000 -0.009 0.000 1.115 1174 F CB 0.724 39.729 39.000 0.009 0.000 0.936 1174 F HN 0.087 nan 8.300 nan 0.000 0.624 1188 Q N 1.488 121.261 119.800 -0.045 0.000 2.214 1188 Q HA 0.626 4.966 4.340 -0.000 0.000 0.251 1188 Q C -0.805 175.198 176.000 0.004 0.000 0.936 1188 Q CA -0.494 55.300 55.803 -0.016 0.000 0.894 1188 Q CB 2.068 30.788 28.738 -0.030 0.000 1.252 1188 Q HN 0.215 nan 8.270 nan 0.000 0.448 1189 S N 1.465 117.191 115.700 0.043 0.000 2.576 1189 S HA 0.138 4.608 4.470 -0.000 0.000 0.276 1189 S C -1.577 173.015 174.600 -0.013 0.000 1.339 1189 S CA -1.302 56.938 58.200 0.067 0.000 1.039 1189 S CB 0.480 63.776 63.200 0.160 0.000 0.902 1189 S HN 0.480 nan 8.310 nan 0.000 0.516 1190 P HA 0.048 nan 4.420 nan 0.000 0.231 1190 P C -0.289 176.722 177.300 -0.482 0.000 1.168 1190 P CA 0.313 63.171 63.100 -0.404 0.000 0.779 1190 P CB 0.005 31.356 31.700 -0.582 0.000 0.844 1191 W N 1.005 122.229 121.300 -0.127 0.000 2.304 1191 W HA 0.361 5.021 4.660 -0.000 0.000 0.313 1191 W C 0.387 176.880 176.519 -0.044 0.000 1.323 1191 W CA -0.716 56.593 57.345 -0.059 0.000 1.223 1191 W CB 0.367 29.834 29.460 0.012 0.000 1.237 1191 W HN -0.126 nan 8.180 nan 0.000 0.535 1192 L N 5.426 126.803 121.223 0.257 0.000 2.334 1192 L HA 0.600 4.939 4.340 -0.000 0.000 0.276 1192 L C -1.227 175.713 176.870 0.117 0.000 1.014 1192 L CA -0.957 53.957 54.840 0.123 0.000 0.815 1192 L CB 1.133 43.213 42.059 0.034 0.000 1.268 1192 L HN 0.302 nan 8.230 nan 0.000 0.428 1193 L N 5.346 126.588 121.223 0.032 0.000 2.325 1193 L HA 0.603 4.943 4.340 -0.000 0.000 0.281 1193 L C -0.928 175.916 176.870 -0.043 0.000 1.004 1193 L CA -0.284 54.563 54.840 0.012 0.000 0.823 1193 L CB 1.189 43.239 42.059 -0.015 0.000 1.236 1193 L HN 0.764 nan 8.230 nan 0.000 0.415 1194 R N 5.475 125.947 120.500 -0.046 0.000 2.476 1194 R HA 0.688 5.027 4.340 -0.000 0.000 0.305 1194 R C -1.766 174.509 176.300 -0.042 0.000 0.965 1194 R CA -0.584 55.459 56.100 -0.096 0.000 0.867 1194 R CB 1.049 31.205 30.300 -0.240 0.000 1.176 1194 R HN 0.747 nan 8.270 nan 0.000 0.447 1195 L N 3.107 124.307 121.223 -0.039 0.000 2.307 1195 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 1195 L C -0.140 176.717 176.870 -0.021 0.000 1.023 1195 L CA -0.592 54.237 54.840 -0.019 0.000 0.810 1195 L CB 1.895 43.942 42.059 -0.020 0.000 1.231 1195 L HN 0.593 nan 8.230 nan 0.000 0.423 1196 E N 4.214 124.409 120.200 -0.009 0.000 2.114 1196 E HA 0.455 4.805 4.350 -0.000 0.000 0.266 1196 E C -1.131 175.463 176.600 -0.009 0.000 0.896 1196 E CA -0.553 55.842 56.400 -0.008 0.000 0.750 1196 E CB 1.071 30.773 29.700 0.003 0.000 1.121 1196 E HN 0.489 nan 8.360 nan 0.000 0.413 1197 L N 2.508 123.721 121.223 -0.016 0.000 2.416 1197 L HA 0.437 4.777 4.340 -0.000 0.000 0.262 1197 L C 0.186 177.047 176.870 -0.016 0.000 1.093 1197 L CA -0.848 53.979 54.840 -0.021 0.000 0.801 1197 L CB 0.705 42.744 42.059 -0.034 0.000 1.191 1197 L HN 0.525 nan 8.230 nan 0.000 0.459 1198 D N -0.530 119.860 120.400 -0.017 0.000 2.278 1198 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 1198 D C 0.777 177.068 176.300 -0.016 0.000 1.052 1198 D CA -0.473 53.519 54.000 -0.013 0.000 0.834 1198 D CB 1.525 42.318 40.800 -0.011 0.000 1.194 1198 D HN 0.312 nan 8.370 nan 0.000 0.481 1199 R N 2.569 123.061 120.500 -0.013 0.000 2.073 1199 R HA -0.117 4.223 4.340 -0.000 0.000 0.234 1199 R C 1.910 178.202 176.300 -0.013 0.000 1.134 1199 R CA 1.335 57.427 56.100 -0.014 0.000 0.952 1199 R CB -0.485 29.809 30.300 -0.010 0.000 0.850 1199 R HN 0.612 nan 8.270 nan 0.000 0.433 1200 A N 1.355 124.169 122.820 -0.011 0.000 1.909 1200 A HA -0.298 4.022 4.320 -0.000 0.000 0.221 1200 A C 2.363 179.941 177.584 -0.009 0.000 1.223 1200 A CA 2.453 54.484 52.037 -0.009 0.000 0.658 1200 A CB -0.856 18.139 19.000 -0.008 0.000 0.831 1200 A HN 0.485 nan 8.150 nan 0.000 0.462 1201 A N -1.824 120.988 122.820 -0.013 0.000 1.968 1201 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 1201 A C 1.957 179.530 177.584 -0.019 0.000 1.169 1201 A CA 1.634 53.662 52.037 -0.015 0.000 0.638 1201 A CB -0.365 18.624 19.000 -0.019 0.000 0.812 1201 A HN 0.446 nan 8.150 nan 0.000 0.446 1202 M N 0.585 120.171 119.600 -0.024 0.000 2.686 1202 M HA 0.008 4.488 4.480 -0.000 0.000 0.246 1202 M C 0.651 176.935 176.300 -0.026 0.000 1.096 1202 M CA 0.522 55.803 55.300 -0.031 0.000 1.076 1202 M CB -1.171 31.408 32.600 -0.035 0.000 1.504 1202 M HN 0.432 nan 8.290 nan 0.000 0.524 1203 N N 0.192 118.882 118.700 -0.017 0.000 2.518 1203 N HA -0.071 4.669 4.740 -0.000 0.000 0.230 1203 N C 1.269 176.774 175.510 -0.008 0.000 1.022 1203 N CA 0.368 53.410 53.050 -0.015 0.000 1.172 1203 N CB -0.826 37.655 38.487 -0.010 0.000 1.498 1203 N HN 0.224 nan 8.380 nan 0.000 0.602 1204 D N 1.152 121.557 120.400 0.009 0.000 2.347 1204 D HA -0.215 4.425 4.640 -0.000 0.000 0.189 1204 D C -0.203 176.118 176.300 0.035 0.000 1.020 1204 D CA 1.414 55.438 54.000 0.040 0.000 0.875 1204 D CB 0.045 40.883 40.800 0.064 0.000 0.928 1204 D HN 0.224 nan 8.370 nan 0.000 0.454 1205 K N 1.632 122.042 120.400 0.017 0.000 2.319 1205 K HA 0.066 4.386 4.320 -0.000 0.000 0.237 1205 K C -0.570 176.014 176.600 -0.026 0.000 1.113 1205 K CA -0.554 55.733 56.287 0.000 0.000 1.072 1205 K CB 0.724 33.220 32.500 -0.007 0.000 1.734 1205 K HN 0.055 nan 8.250 nan 0.000 0.429 1206 D N 2.776 123.156 120.400 -0.033 0.000 5.247 1206 D HA -0.176 4.464 4.640 -0.000 0.000 0.184 1206 D C -0.655 175.618 176.300 -0.045 0.000 1.197 1206 D CA 1.275 55.251 54.000 -0.040 0.000 0.747 1206 D CB 0.212 40.983 40.800 -0.048 0.000 1.304 1206 D HN 0.372 nan 8.370 nan 0.000 0.732 1207 L N 2.409 123.605 121.223 -0.045 0.000 2.466 1207 L HA 0.360 4.700 4.340 -0.000 0.000 0.258 1207 L C -0.028 176.808 176.870 -0.056 0.000 0.973 1207 L CA -0.759 54.047 54.840 -0.057 0.000 0.826 1207 L CB 2.608 44.628 42.059 -0.065 0.000 1.372 1207 L HN 0.098 nan 8.230 nan 0.000 0.409 1208 T N 1.578 116.089 114.554 -0.071 0.000 2.863 1208 T HA 0.336 4.686 4.350 -0.000 0.000 0.285 1208 T C 1.035 175.659 174.700 -0.127 0.000 1.009 1208 T CA -0.657 61.402 62.100 -0.069 0.000 0.989 1208 T CB 1.837 70.677 68.868 -0.047 0.000 1.004 1208 T HN 0.429 nan 8.240 nan 0.000 0.455 1209 M N 1.743 121.268 119.600 -0.124 0.000 2.082 1209 M HA -0.081 4.399 4.480 -0.000 0.000 0.258 1209 M C 2.556 178.533 176.300 -0.539 0.000 1.069 1209 M CA 2.049 57.196 55.300 -0.255 0.000 1.102 1209 M CB -1.757 30.781 32.600 -0.103 0.000 1.336 1209 M HN 0.846 nan 8.290 nan 0.000 0.404 1210 G N 0.001 108.610 108.800 -0.319 0.000 2.476 1210 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.218 1210 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.218 1210 G C 1.513 176.191 174.900 -0.370 0.000 1.164 1210 G CA 0.959 45.884 45.100 -0.293 0.000 0.768 1210 G HN 0.566 nan 8.290 nan 0.000 0.560 1211 Q N -0.247 119.412 119.800 -0.234 0.000 1.985 1211 Q HA -0.136 4.203 4.340 -0.000 0.000 0.207 1211 Q C 2.917 178.769 176.000 -0.248 0.000 0.996 1211 Q CA 1.942 57.634 55.803 -0.185 0.000 0.851 1211 Q CB -0.532 28.128 28.738 -0.129 0.000 0.921 1211 Q HN 0.391 nan 8.270 nan 0.000 0.418 1212 V N 0.767 120.510 119.914 -0.285 0.000 2.214 1212 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 1212 V C 2.291 178.167 176.094 -0.363 0.000 1.051 1212 V CA 2.170 64.306 62.300 -0.273 0.000 1.003 1212 V CB -1.690 29.979 31.823 -0.257 0.000 0.635 1212 V HN 0.634 nan 8.190 nan 0.000 0.447 1213 G N -0.279 108.121 108.800 -0.666 0.000 2.631 1213 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.219 1213 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.219 1213 G C 1.403 175.993 174.900 -0.517 0.000 1.214 1213 G CA 1.238 45.809 45.100 -0.882 0.000 0.785 1213 G HN 0.504 nan 8.290 nan 0.000 0.596 1214 E N 0.310 120.212 120.200 -0.496 0.000 2.164 1214 E HA -0.194 4.156 4.350 -0.000 0.000 0.206 1214 E C 2.739 179.300 176.600 -0.065 0.000 1.032 1214 E CA 0.999 57.316 56.400 -0.138 0.000 0.832 1214 E CB -0.273 29.377 29.700 -0.084 0.000 0.742 1214 E HN 0.246 nan 8.360 nan 0.000 0.460 1215 R N 0.215 120.652 120.500 -0.104 0.000 2.073 1215 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 1215 R C 2.614 178.917 176.300 0.006 0.000 1.134 1215 R CA 0.802 56.871 56.100 -0.052 0.000 0.952 1215 R CB -1.013 29.242 30.300 -0.076 0.000 0.850 1215 R HN 0.327 nan 8.270 nan 0.000 0.433 1216 I N 0.910 121.493 120.570 0.021 0.000 2.127 1216 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 1216 I C 2.425 178.711 176.117 0.282 0.000 1.075 1216 I CA 1.392 62.806 61.300 0.189 0.000 1.334 1216 I CB -0.466 37.604 38.000 0.116 0.000 1.040 1216 I HN 0.055 nan 8.210 nan 0.000 0.405 1217 K N 1.548 122.047 120.400 0.165 0.000 2.107 1217 K HA -0.270 4.050 4.320 -0.000 0.000 0.211 1217 K C 2.064 178.777 176.600 0.189 0.000 1.049 1217 K CA 2.219 58.623 56.287 0.196 0.000 0.927 1217 K CB -0.283 32.340 32.500 0.205 0.000 0.714 1217 K HN 0.649 nan 8.250 nan 0.000 0.452 1218 Q N -2.272 117.604 119.800 0.126 0.000 2.402 1218 Q HA 0.065 4.404 4.340 -0.000 0.000 0.206 1218 Q C 1.494 177.517 176.000 0.039 0.000 0.919 1218 Q CA 1.114 56.966 55.803 0.083 0.000 0.923 1218 Q CB 0.015 28.780 28.738 0.045 0.000 1.048 1218 Q HN 0.081 nan 8.270 nan 0.000 0.515 1219 T N 0.538 115.100 114.554 0.013 0.000 2.867 1219 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 1219 T C 0.760 175.237 174.700 -0.372 0.000 1.057 1219 T CA 1.285 63.257 62.100 -0.215 0.000 1.136 1219 T CB -0.120 68.536 68.868 -0.353 0.000 0.874 1219 T HN 0.304 nan 8.240 nan 0.000 0.466 1220 F N 0.321 120.286 119.950 0.025 0.000 2.514 1220 F HA 0.368 4.895 4.527 -0.000 0.000 0.281 1220 F C 1.404 177.229 175.800 0.042 0.000 1.060 1220 F CA -0.383 57.637 58.000 0.033 0.000 1.397 1220 F CB -0.058 38.965 39.000 0.039 0.000 1.129 1220 F HN -0.047 nan 8.300 nan 0.000 0.620 1221 K N -0.708 119.847 120.400 0.259 0.000 5.147 1221 K HA -0.243 4.077 4.320 -0.000 0.000 0.175 1221 K C -0.515 176.182 176.600 0.163 0.000 1.277 1221 K CA 1.061 57.448 56.287 0.168 0.000 0.622 1221 K CB -1.359 31.207 32.500 0.110 0.000 0.640 1221 K HN -0.016 nan 8.250 nan 0.000 0.619 1222 N N 2.971 121.748 118.700 0.128 0.000 3.034 1222 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 1222 N C -1.341 174.235 175.510 0.109 0.000 1.166 1222 N CA 0.780 53.897 53.050 0.113 0.000 1.081 1222 N CB -0.172 38.366 38.487 0.084 0.000 1.378 1222 N HN 0.524 nan 8.380 nan 0.000 0.520 1223 D N 0.161 120.635 120.400 0.124 0.000 4.466 1223 D HA -0.027 4.613 4.640 -0.000 0.000 0.145 1223 D C -0.843 175.513 176.300 0.094 0.000 1.005 1223 D CA -0.437 53.627 54.000 0.106 0.000 1.051 1223 D CB -1.264 39.597 40.800 0.102 0.000 1.378 1223 D HN 0.137 nan 8.370 nan 0.000 0.747 1224 L N 0.770 122.049 121.223 0.094 0.000 3.096 1224 L HA 0.459 4.799 4.340 -0.000 0.000 0.242 1224 L C -2.148 174.782 176.870 0.100 0.000 0.957 1224 L CA -0.754 54.098 54.840 0.020 0.000 1.141 1224 L CB 0.893 42.845 42.059 -0.178 0.000 1.584 1224 L HN 0.060 nan 8.230 nan 0.000 0.570 1225 F N 5.667 125.601 119.950 -0.027 0.000 2.472 1225 F HA 0.654 5.181 4.527 -0.000 0.000 0.364 1225 F C -0.440 175.339 175.800 -0.035 0.000 1.090 1225 F CA -0.074 57.916 58.000 -0.017 0.000 1.188 1225 F CB 0.708 39.697 39.000 -0.019 0.000 1.105 1225 F HN 0.226 nan 8.300 nan 0.000 0.536 1226 V N 7.827 127.446 119.914 -0.492 0.000 2.680 1226 V HA 0.560 4.680 4.120 -0.000 0.000 0.309 1226 V C 0.102 175.789 176.094 -0.678 0.000 1.052 1226 V CA -0.794 61.258 62.300 -0.412 0.000 0.908 1226 V CB 1.713 33.543 31.823 0.011 0.000 1.001 1226 V HN 0.690 nan 8.190 nan 0.000 0.431 1227 I N 2.282 122.514 120.570 -0.564 0.000 3.457 1227 I HA 0.815 4.985 4.170 -0.000 0.000 0.307 1227 I C -1.368 174.654 176.117 -0.157 0.000 1.138 1227 I CA -0.741 60.079 61.300 -0.799 0.000 0.974 1227 I CB 2.567 40.075 38.000 -0.820 0.000 1.324 1227 I HN 0.889 nan 8.210 nan 0.000 0.485 1228 W N 0.060 121.224 121.300 -0.227 0.000 3.524 1228 W HA 0.556 5.216 4.660 -0.000 0.000 0.287 1228 W C -0.689 175.777 176.519 -0.088 0.000 1.247 1228 W CA -0.826 56.436 57.345 -0.139 0.000 1.197 1228 W CB -0.394 29.003 29.460 -0.106 0.000 1.323 1228 W HN 0.618 nan 8.180 nan 0.000 0.567 1229 S N 0.381 116.184 115.700 0.171 0.000 2.587 1229 S HA 0.505 4.975 4.470 -0.000 0.000 0.252 1229 S C -0.408 174.298 174.600 0.177 0.000 1.282 1229 S CA -0.088 58.168 58.200 0.093 0.000 0.977 1229 S CB 0.609 63.839 63.200 0.048 0.000 1.015 1229 S HN 0.612 nan 8.310 nan 0.000 0.557 1230 E N 0.164 120.426 120.200 0.104 0.000 2.260 1230 E HA 0.208 4.558 4.350 -0.000 0.000 0.266 1230 E C -0.051 176.588 176.600 0.064 0.000 0.887 1230 E CA -0.484 55.983 56.400 0.111 0.000 0.777 1230 E CB 1.613 31.360 29.700 0.078 0.000 1.205 1230 E HN 0.613 nan 8.360 nan 0.000 0.414 1231 D N 1.938 122.373 120.400 0.058 0.000 4.551 1231 D HA -0.340 4.300 4.640 -0.000 0.000 0.191 1231 D C 1.235 177.545 176.300 0.017 0.000 1.416 1231 D CA 1.440 55.455 54.000 0.026 0.000 0.898 1231 D CB 0.174 40.986 40.800 0.020 0.000 0.859 1231 D HN 0.486 nan 8.370 nan 0.000 0.592 1232 N N 1.149 119.861 118.700 0.020 0.000 2.039 1232 N HA -0.117 4.623 4.740 -0.000 0.000 0.193 1232 N C 0.256 175.772 175.510 0.009 0.000 1.044 1232 N CA 0.835 53.892 53.050 0.012 0.000 0.847 1232 N CB -0.030 38.464 38.487 0.012 0.000 1.030 1232 N HN 0.163 nan 8.380 nan 0.000 0.422 1233 D N 0.535 120.942 120.400 0.011 0.000 2.535 1233 D HA -0.180 4.459 4.640 -0.000 0.000 0.223 1233 D C 1.095 177.397 176.300 0.003 0.000 1.264 1233 D CA 0.798 54.802 54.000 0.006 0.000 0.883 1233 D CB 0.362 41.167 40.800 0.009 0.000 1.245 1233 D HN 0.552 nan 8.370 nan 0.000 0.539 1234 E N 0.180 120.380 120.200 0.000 0.000 2.474 1234 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 1234 E C 0.195 176.795 176.600 -0.001 0.000 1.041 1234 E CA 0.299 56.699 56.400 -0.001 0.000 0.874 1234 E CB 0.496 30.195 29.700 -0.001 0.000 0.914 1234 E HN 0.154 nan 8.360 nan 0.000 0.498 1235 K N 1.528 121.928 120.400 -0.001 0.000 2.687 1235 K HA 0.287 4.607 4.320 -0.000 0.000 0.249 1235 K C -1.217 175.383 176.600 -0.001 0.000 0.994 1235 K CA -0.458 55.828 56.287 -0.002 0.000 0.913 1235 K CB 1.350 33.848 32.500 -0.003 0.000 1.202 1235 K HN 0.058 nan 8.250 nan 0.000 0.460 1236 L N 5.551 126.774 121.223 -0.000 0.000 2.367 1236 L HA 0.490 4.830 4.340 -0.000 0.000 0.275 1236 L C 0.022 176.892 176.870 -0.001 0.000 1.129 1236 L CA -0.200 54.642 54.840 0.003 0.000 0.839 1236 L CB 0.196 42.252 42.059 -0.005 0.000 1.133 1236 L HN 0.461 nan 8.230 nan 0.000 0.453 1237 I N 3.538 124.115 120.570 0.012 0.000 2.918 1237 I HA 0.462 4.632 4.170 -0.000 0.000 0.301 1237 I C -0.854 175.281 176.117 0.031 0.000 1.312 1237 I CA -0.482 60.817 61.300 -0.001 0.000 1.007 1237 I CB 2.954 40.938 38.000 -0.028 0.000 1.281 1237 I HN 0.447 nan 8.210 nan 0.000 0.440 1238 I N 3.706 124.277 120.570 0.003 0.000 2.499 1238 I HA 0.466 4.636 4.170 -0.000 0.000 0.288 1238 I C -0.683 175.410 176.117 -0.041 0.000 1.048 1238 I CA -0.569 60.746 61.300 0.025 0.000 1.062 1238 I CB 1.969 39.969 38.000 0.000 0.000 1.238 1238 I HN 0.428 nan 8.210 nan 0.000 0.426 1239 R N 4.770 125.225 120.500 -0.074 0.000 2.445 1239 R HA 0.742 5.082 4.340 -0.000 0.000 0.308 1239 R C -1.375 174.834 176.300 -0.151 0.000 0.961 1239 R CA -0.515 55.509 56.100 -0.127 0.000 0.862 1239 R CB 1.924 32.128 30.300 -0.161 0.000 1.144 1239 R HN 0.571 nan 8.270 nan 0.000 0.447 1240 C N 1.477 120.707 119.300 -0.116 0.000 2.712 1240 C HA 0.540 5.000 4.460 -0.000 0.000 0.308 1240 C C 1.090 176.053 174.990 -0.047 0.000 1.201 1240 C CA -0.758 58.190 59.018 -0.117 0.000 1.554 1240 C CB 2.178 29.827 27.740 -0.151 0.000 2.117 1240 C HN 0.946 nan 8.230 nan 0.000 0.480 1241 R N 0.402 120.904 120.500 0.004 0.000 2.306 1241 R HA 0.576 4.916 4.340 -0.000 0.000 0.183 1241 R C -0.575 175.762 176.300 0.062 0.000 0.937 1241 R CA 0.400 56.540 56.100 0.067 0.000 1.118 1241 R CB 0.396 30.781 30.300 0.142 0.000 1.224 1241 R HN 0.605 nan 8.270 nan 0.000 0.597 1242 V N 0.196 120.146 119.914 0.059 0.000 3.216 1242 V HA -0.166 3.953 4.120 -0.000 0.000 0.466 1242 V C -1.209 174.928 176.094 0.071 0.000 0.700 1242 V CA -0.511 61.818 62.300 0.048 0.000 1.975 1242 V CB -0.182 31.671 31.823 0.051 0.000 2.427 1242 V HN 0.033 nan 8.190 nan 0.000 0.489 1243 V N 0.601 120.553 119.914 0.063 0.000 3.178 1243 V HA 0.623 4.743 4.120 -0.000 0.000 0.302 1243 V C 0.051 176.175 176.094 0.050 0.000 1.262 1243 V CA -0.572 61.760 62.300 0.053 0.000 1.030 1243 V CB 2.107 33.960 31.823 0.049 0.000 1.074 1243 V HN 1.024 nan 8.190 nan 0.000 0.438 1255 E N -0.033 120.225 120.200 0.096 0.000 3.253 1255 E HA -0.111 4.239 4.350 -0.000 0.000 0.255 1255 E C 0.111 176.718 176.600 0.012 0.000 1.164 1255 E CA 0.691 57.135 56.400 0.073 0.000 0.936 1255 E CB -1.148 28.617 29.700 0.109 0.000 1.135 1255 E HN 0.708 nan 8.360 nan 0.000 0.437 1256 E N 0.602 120.769 120.200 -0.055 0.000 2.086 1256 E HA -0.135 4.215 4.350 -0.000 0.000 0.190 1256 E C 1.557 177.952 176.600 -0.341 0.000 0.975 1256 E CA 1.097 57.420 56.400 -0.128 0.000 0.813 1256 E CB 0.031 29.733 29.700 0.002 0.000 0.768 1256 E HN 0.575 nan 8.360 nan 0.000 0.457 1257 D N 0.560 120.508 120.400 -0.753 0.000 2.263 1257 D HA -0.207 4.433 4.640 -0.000 0.000 0.208 1257 D C 1.467 177.500 176.300 -0.445 0.000 0.971 1257 D CA 1.039 54.564 54.000 -0.791 0.000 0.867 1257 D CB -0.253 39.777 40.800 -1.283 0.000 0.929 1257 D HN 0.256 nan 8.370 nan 0.000 0.492 1258 H N -0.566 118.360 119.070 -0.240 0.000 2.535 1258 H HA 0.102 4.658 4.556 -0.000 0.000 0.273 1258 H C 1.839 177.111 175.328 -0.092 0.000 0.983 1258 H CA 0.803 56.771 56.048 -0.134 0.000 1.238 1258 H CB 0.323 30.027 29.762 -0.096 0.000 1.412 1258 H HN 0.264 nan 8.280 nan 0.000 0.562 1259 M N 0.030 119.631 119.600 0.002 0.000 2.299 1259 M HA 0.013 4.493 4.480 -0.000 0.000 0.264 1259 M C 1.921 178.215 176.300 -0.011 0.000 1.095 1259 M CA 1.075 56.379 55.300 0.006 0.000 1.165 1259 M CB -0.474 32.129 32.600 0.006 0.000 1.349 1259 M HN 0.079 nan 8.290 nan 0.000 0.446 1260 L N 0.411 121.596 121.223 -0.064 0.000 2.187 1260 L HA -0.170 4.170 4.340 -0.000 0.000 0.213 1260 L C 1.916 178.770 176.870 -0.027 0.000 1.100 1260 L CA 1.739 56.548 54.840 -0.051 0.000 0.765 1260 L CB -0.449 41.559 42.059 -0.086 0.000 0.904 1260 L HN 0.315 nan 8.230 nan 0.000 0.437 1261 K N -1.053 119.328 120.400 -0.031 0.000 2.296 1261 K HA -0.103 4.217 4.320 -0.000 0.000 0.200 1261 K C 1.904 178.519 176.600 0.026 0.000 1.048 1261 K CA 0.820 57.106 56.287 -0.001 0.000 0.966 1261 K CB 0.093 32.595 32.500 0.002 0.000 0.754 1261 K HN 0.266 nan 8.250 nan 0.000 0.466 1262 K N 0.442 120.862 120.400 0.034 0.000 2.167 1262 K HA 0.057 4.376 4.320 -0.000 0.000 0.203 1262 K C 1.685 178.331 176.600 0.076 0.000 1.052 1262 K CA 0.778 57.094 56.287 0.049 0.000 0.956 1262 K CB 0.183 32.711 32.500 0.048 0.000 0.735 1262 K HN 0.054 nan 8.250 nan 0.000 0.451 1263 I N 1.165 121.785 120.570 0.082 0.000 2.928 1263 I HA -0.151 4.018 4.170 -0.000 0.000 0.266 1263 I C 2.297 178.482 176.117 0.113 0.000 1.234 1263 I CA 0.656 62.039 61.300 0.138 0.000 1.483 1263 I CB -0.033 38.007 38.000 0.068 0.000 1.097 1263 I HN 0.190 nan 8.210 nan 0.000 0.455 1264 E N 2.006 122.243 120.200 0.062 0.000 2.031 1264 E HA -0.240 4.110 4.350 -0.000 0.000 0.193 1264 E C 1.681 178.319 176.600 0.063 0.000 0.994 1264 E CA 2.051 58.481 56.400 0.049 0.000 0.800 1264 E CB -0.175 29.543 29.700 0.031 0.000 0.752 1264 E HN 0.373 nan 8.360 nan 0.000 0.447 1265 N N -0.578 118.158 118.700 0.060 0.000 2.109 1265 N HA -0.066 4.674 4.740 -0.000 0.000 0.188 1265 N C 1.661 177.210 175.510 0.064 0.000 1.034 1265 N CA 2.042 55.124 53.050 0.052 0.000 0.846 1265 N CB -0.663 37.848 38.487 0.040 0.000 1.010 1265 N HN 0.161 nan 8.380 nan 0.000 0.425 1266 T N 0.742 115.345 114.554 0.082 0.000 2.792 1266 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 1266 T C 1.679 176.437 174.700 0.098 0.000 1.059 1266 T CA 1.122 63.270 62.100 0.079 0.000 1.136 1266 T CB -0.183 68.757 68.868 0.121 0.000 0.846 1266 T HN 0.250 nan 8.240 nan 0.000 0.489 1267 M N -0.286 119.408 119.600 0.155 0.000 2.357 1267 M HA 0.180 4.660 4.480 -0.000 0.000 0.266 1267 M C 1.769 178.114 176.300 0.076 0.000 1.095 1267 M CA 1.095 56.492 55.300 0.162 0.000 1.156 1267 M CB -0.083 32.621 32.600 0.173 0.000 1.365 1267 M HN 0.234 nan 8.290 nan 0.000 0.447 1268 L N -1.091 120.165 121.223 0.056 0.000 2.567 1268 L HA 0.011 4.351 4.340 -0.000 0.000 0.225 1268 L C 1.278 178.165 176.870 0.028 0.000 1.119 1268 L CA 0.428 55.288 54.840 0.033 0.000 0.871 1268 L CB 0.006 42.083 42.059 0.029 0.000 1.036 1268 L HN 0.220 nan 8.230 nan 0.000 0.459 1269 E N -0.818 119.400 120.200 0.030 0.000 2.444 1269 E HA 0.074 4.424 4.350 -0.000 0.000 0.209 1269 E C 0.899 177.514 176.600 0.025 0.000 0.806 1269 E CA 0.020 56.437 56.400 0.028 0.000 1.240 1269 E CB 0.613 30.327 29.700 0.023 0.000 1.238 1269 E HN 0.133 nan 8.360 nan 0.000 0.591 1270 N N 0.114 118.820 118.700 0.010 0.000 2.251 1270 N HA 0.232 4.972 4.740 -0.000 0.000 0.217 1270 N C -0.783 174.709 175.510 -0.029 0.000 1.124 1270 N CA 0.236 53.279 53.050 -0.012 0.000 0.843 1270 N CB 0.938 39.401 38.487 -0.040 0.000 1.024 1270 N HN 0.131 nan 8.380 nan 0.000 0.501 1271 I N 0.439 121.001 120.570 -0.013 0.000 2.436 1271 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 1271 I C -0.383 175.711 176.117 -0.039 0.000 1.010 1271 I CA -0.322 60.958 61.300 -0.033 0.000 1.098 1271 I CB 1.975 39.961 38.000 -0.023 0.000 1.266 1271 I HN -0.192 nan 8.210 nan 0.000 0.434 1272 T N 6.186 120.708 114.554 -0.053 0.000 2.885 1272 T HA 0.441 4.791 4.350 -0.000 0.000 0.285 1272 T C 0.468 175.098 174.700 -0.116 0.000 1.019 1272 T CA -0.478 61.552 62.100 -0.116 0.000 1.010 1272 T CB 2.455 71.293 68.868 -0.051 0.000 1.022 1272 T HN 0.235 nan 8.240 nan 0.000 0.466 1273 L N 0.834 121.963 121.223 -0.158 0.000 2.356 1273 L HA 0.463 4.803 4.340 -0.000 0.000 0.193 1273 L C 1.176 177.985 176.870 -0.103 0.000 1.087 1273 L CA 1.166 55.934 54.840 -0.120 0.000 0.817 1273 L CB -0.308 41.677 42.059 -0.123 0.000 1.035 1273 L HN 0.470 nan 8.230 nan 0.000 0.482 1274 R N -1.932 118.494 120.500 -0.123 0.000 2.987 1274 R HA 0.634 4.974 4.340 -0.000 0.000 0.248 1274 R C -0.233 176.028 176.300 -0.066 0.000 1.264 1274 R CA -0.466 55.587 56.100 -0.080 0.000 1.026 1274 R CB 0.718 30.978 30.300 -0.067 0.000 1.286 1274 R HN 0.160 nan 8.270 nan 0.000 0.483 1275 G N -0.145 108.647 108.800 -0.013 0.000 2.752 1275 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.234 1275 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.234 1275 G C -0.965 173.992 174.900 0.096 0.000 1.367 1275 G CA -0.385 44.740 45.100 0.042 0.000 0.879 1275 G HN 0.427 nan 8.290 nan 0.000 0.563 1276 V N 0.420 120.406 119.914 0.119 0.000 2.823 1276 V HA 0.590 4.710 4.120 -0.000 0.000 0.312 1276 V C 0.674 176.810 176.094 0.070 0.000 1.072 1276 V CA -0.222 62.134 62.300 0.094 0.000 0.937 1276 V CB 1.622 33.467 31.823 0.036 0.000 1.013 1276 V HN 1.216 nan 8.190 nan 0.000 0.430 1277 E N 3.044 123.229 120.200 -0.025 0.000 2.492 1277 E HA -0.043 4.307 4.350 -0.000 0.000 0.266 1277 E C 0.363 176.848 176.600 -0.191 0.000 1.187 1277 E CA 0.359 56.608 56.400 -0.253 0.000 1.036 1277 E CB -0.087 29.501 29.700 -0.186 0.000 0.994 1277 E HN 0.674 nan 8.360 nan 0.000 0.468 1278 N N -1.145 117.408 118.700 -0.246 0.000 2.909 1278 N HA -0.245 4.495 4.740 -0.000 0.000 0.230 1278 N C -0.243 175.212 175.510 -0.091 0.000 0.869 1278 N CA 1.814 54.778 53.050 -0.143 0.000 1.071 1278 N CB -1.308 37.121 38.487 -0.096 0.000 1.040 1278 N HN 0.536 nan 8.380 nan 0.000 0.620 1279 I N 1.824 122.355 120.570 -0.066 0.000 2.281 1279 I HA 0.091 4.261 4.170 -0.000 0.000 0.293 1279 I C 1.076 177.212 176.117 0.032 0.000 1.085 1279 I CA 0.010 61.306 61.300 -0.008 0.000 1.257 1279 I CB 0.781 38.790 38.000 0.015 0.000 1.430 1279 I HN 0.018 nan 8.210 nan 0.000 0.489 1280 E N 5.584 125.795 120.200 0.018 0.000 3.565 1280 E HA 0.348 4.698 4.350 -0.000 0.000 0.475 1280 E C 0.099 176.721 176.600 0.036 0.000 0.425 1280 E CA -0.433 55.989 56.400 0.038 0.000 2.837 1280 E CB 0.342 30.050 29.700 0.014 0.000 2.245 1280 E HN 0.300 nan 8.360 nan 0.000 0.509 1281 R N -0.287 120.222 120.500 0.015 0.000 2.465 1281 R HA 0.022 4.362 4.340 -0.000 0.000 0.273 1281 R C -0.789 175.541 176.300 0.051 0.000 0.952 1281 R CA 0.332 56.440 56.100 0.013 0.000 1.103 1281 R CB -0.448 29.841 30.300 -0.019 0.000 0.861 1281 R HN 0.069 nan 8.270 nan 0.000 0.425 1282 V N 3.315 123.296 119.914 0.111 0.000 2.777 1282 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 1282 V C -0.254 175.916 176.094 0.127 0.000 1.112 1282 V CA -0.800 61.553 62.300 0.089 0.000 0.917 1282 V CB 2.355 34.215 31.823 0.062 0.000 1.018 1282 V HN 0.514 nan 8.190 nan 0.000 0.426 1283 V N 4.278 124.234 119.914 0.070 0.000 3.019 1283 V HA 0.588 4.708 4.120 -0.000 0.000 0.317 1283 V C -0.184 175.916 176.094 0.011 0.000 1.094 1283 V CA -0.823 61.517 62.300 0.067 0.000 1.000 1283 V CB 2.283 34.150 31.823 0.072 0.000 1.060 1283 V HN 0.786 nan 8.190 nan 0.000 0.443 1284 M N 3.504 123.114 119.600 0.017 0.000 2.268 1284 M HA 0.606 5.086 4.480 -0.000 0.000 0.344 1284 M C -1.054 175.327 176.300 0.136 0.000 1.106 1284 M CA -0.190 55.142 55.300 0.054 0.000 1.010 1284 M CB 1.604 34.192 32.600 -0.021 0.000 1.649 1284 M HN 0.414 nan 8.290 nan 0.000 0.443 1285 M N 2.496 122.158 119.600 0.104 0.000 2.386 1285 M HA 0.369 4.849 4.480 -0.000 0.000 0.293 1285 M C -0.977 175.210 176.300 -0.189 0.000 1.120 1285 M CA -0.544 54.715 55.300 -0.069 0.000 0.909 1285 M CB 2.385 34.766 32.600 -0.364 0.000 1.661 1285 M HN 0.542 nan 8.290 nan 0.000 0.452 1286 K N 2.772 122.997 120.400 -0.292 0.000 2.356 1286 K HA 0.408 4.727 4.320 -0.000 0.000 0.243 1286 K C -1.301 175.189 176.600 -0.183 0.000 1.072 1286 K CA -0.118 55.833 56.287 -0.559 0.000 1.014 1286 K CB 0.486 32.408 32.500 -0.964 0.000 1.523 1286 K HN 0.565 nan 8.250 nan 0.000 0.455 1287 Y N 1.158 121.381 120.300 -0.130 0.000 2.397 1287 Y HA 0.001 4.551 4.550 -0.000 0.000 0.335 1287 Y C 0.786 176.638 175.900 -0.080 0.000 1.213 1287 Y CA -0.844 57.224 58.100 -0.055 0.000 1.391 1287 Y CB 0.759 39.242 38.460 0.038 0.000 1.293 1287 Y HN 0.381 nan 8.280 nan 0.000 0.557 1288 D N 3.371 123.831 120.400 0.099 0.000 2.249 1288 D HA 0.178 4.818 4.640 -0.000 0.000 0.246 1288 D C -0.493 175.820 176.300 0.021 0.000 1.114 1288 D CA -0.193 53.820 54.000 0.022 0.000 0.854 1288 D CB 1.066 41.864 40.800 -0.003 0.000 1.132 1288 D HN 0.472 nan 8.370 nan 0.000 0.461 1289 R N 2.423 122.934 120.500 0.019 0.000 2.621 1289 R HA 0.356 4.695 4.340 -0.000 0.000 0.292 1289 R C -0.845 175.467 176.300 0.019 0.000 0.969 1289 R CA -0.758 55.349 56.100 0.012 0.000 0.887 1289 R CB 1.379 31.692 30.300 0.021 0.000 1.180 1289 R HN 0.121 nan 8.270 nan 0.000 0.450 1290 K N 2.352 122.765 120.400 0.021 0.000 2.201 1290 K HA 0.459 4.779 4.320 -0.000 0.000 0.278 1290 K C -1.198 175.504 176.600 0.168 0.000 1.027 1290 K CA -0.515 55.817 56.287 0.076 0.000 0.909 1290 K CB 2.043 34.553 32.500 0.017 0.000 1.062 1290 K HN 0.261 nan 8.250 nan 0.000 0.465 1291 V N 4.566 124.613 119.914 0.221 0.000 3.147 1291 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 1291 V C -2.598 173.507 176.094 0.018 0.000 1.209 1291 V CA -2.502 59.903 62.300 0.175 0.000 1.023 1291 V CB 2.651 34.504 31.823 0.049 0.000 1.059 1291 V HN 0.588 nan 8.190 nan 0.000 0.435 1292 P HA 0.184 nan 4.420 nan 0.000 0.271 1292 P C -0.617 176.552 177.300 -0.218 0.000 1.220 1292 P CA 0.446 63.255 63.100 -0.485 0.000 0.768 1292 P CB 0.701 32.100 31.700 -0.502 0.000 0.848 1293 S N 4.515 120.110 115.700 -0.175 0.000 2.614 1293 S HA 0.232 4.702 4.470 -0.000 0.000 0.265 1293 S C -1.072 173.469 174.600 -0.099 0.000 1.303 1293 S CA -1.536 56.609 58.200 -0.092 0.000 1.000 1293 S CB -0.202 62.964 63.200 -0.057 0.000 0.935 1293 S HN 0.337 nan 8.310 nan 0.000 0.551 1294 P HA -0.058 nan 4.420 nan 0.000 0.221 1294 P C 1.308 178.573 177.300 -0.059 0.000 1.150 1294 P CA 1.206 64.269 63.100 -0.061 0.000 0.800 1294 P CB -0.336 31.341 31.700 -0.038 0.000 0.787 1295 T N -3.003 111.522 114.554 -0.048 0.000 3.085 1295 T HA 0.239 4.589 4.350 -0.000 0.000 0.263 1295 T C 1.349 176.021 174.700 -0.046 0.000 1.127 1295 T CA 1.706 63.785 62.100 -0.034 0.000 1.103 1295 T CB -0.459 68.400 68.868 -0.016 0.000 0.921 1295 T HN 0.308 nan 8.240 nan 0.000 0.510 1296 G N 0.925 109.673 108.800 -0.087 0.000 3.038 1296 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.197 1296 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.197 1296 G C -0.459 174.353 174.900 -0.147 0.000 1.925 1296 G CA -0.173 44.859 45.100 -0.114 0.000 1.405 1296 G HN 0.669 nan 8.290 nan 0.000 0.524 1297 E N 1.212 121.376 120.200 -0.060 0.000 2.459 1297 E HA 0.407 4.757 4.350 -0.000 0.000 0.264 1297 E C -0.500 176.079 176.600 -0.035 0.000 1.055 1297 E CA 0.002 56.400 56.400 -0.003 0.000 0.957 1297 E CB 0.196 29.920 29.700 0.040 0.000 0.952 1297 E HN 0.506 nan 8.360 nan 0.000 0.448 1298 Y N 0.447 120.748 120.300 0.002 0.000 2.309 1298 Y HA 0.390 4.940 4.550 -0.000 0.000 0.327 1298 Y C 0.203 176.102 175.900 -0.003 0.000 1.172 1298 Y CA -0.293 57.806 58.100 -0.003 0.000 1.280 1298 Y CB 0.953 39.414 38.460 0.002 0.000 1.234 1298 Y HN 0.201 nan 8.280 nan 0.000 0.512 1299 V N 2.433 122.438 119.914 0.151 0.000 3.078 1299 V HA 0.305 4.425 4.120 -0.000 0.000 0.311 1299 V C -0.815 175.320 176.094 0.069 0.000 1.138 1299 V CA -1.959 60.391 62.300 0.083 0.000 1.007 1299 V CB 2.185 34.031 31.823 0.039 0.000 1.045 1299 V HN 0.535 nan 8.190 nan 0.000 0.432 1300 K N 2.153 122.577 120.400 0.041 0.000 2.378 1300 K HA 0.227 4.547 4.320 -0.000 0.000 0.288 1300 K C -0.061 176.547 176.600 0.013 0.000 1.057 1300 K CA 0.313 56.613 56.287 0.023 0.000 0.971 1300 K CB 0.453 32.959 32.500 0.009 0.000 0.975 1300 K HN 0.703 nan 8.250 nan 0.000 0.475 1301 E N 5.561 125.768 120.200 0.011 0.000 3.374 1301 E HA 0.144 4.494 4.350 -0.000 0.000 0.223 1301 E C -2.353 174.239 176.600 -0.013 0.000 1.210 1301 E CA -2.072 54.329 56.400 0.001 0.000 0.987 1301 E CB 0.563 30.269 29.700 0.009 0.000 1.322 1301 E HN 0.336 nan 8.360 nan 0.000 0.404 1302 P HA -0.133 nan 4.420 nan 0.000 0.263 1302 P C -0.788 176.442 177.300 -0.116 0.000 1.168 1302 P CA 0.747 63.795 63.100 -0.086 0.000 0.759 1302 P CB 0.518 32.130 31.700 -0.145 0.000 0.782 1303 E N 2.200 122.342 120.200 -0.096 0.000 2.312 1303 E HA 0.450 4.800 4.350 -0.000 0.000 0.267 1303 E C -1.181 175.339 176.600 -0.134 0.000 0.894 1303 E CA -1.061 55.305 56.400 -0.057 0.000 0.773 1303 E CB 0.956 30.699 29.700 0.072 0.000 1.241 1303 E HN 0.291 nan 8.360 nan 0.000 0.432 1304 W N 1.431 122.750 121.300 0.031 0.000 2.251 1304 W HA 0.483 5.143 4.660 -0.000 0.000 0.329 1304 W C -0.550 175.936 176.519 -0.055 0.000 1.234 1304 W CA -0.206 57.121 57.345 -0.031 0.000 1.228 1304 W CB 1.450 30.898 29.460 -0.021 0.000 1.135 1304 W HN 0.267 nan 8.180 nan 0.000 0.576 1305 V N 3.207 123.170 119.914 0.082 0.000 3.114 1305 V HA 0.481 4.601 4.120 -0.000 0.000 0.308 1305 V C -0.641 175.389 176.094 -0.106 0.000 1.168 1305 V CA -1.348 60.897 62.300 -0.092 0.000 1.015 1305 V CB 1.974 33.568 31.823 -0.381 0.000 1.050 1305 V HN 0.269 nan 8.190 nan 0.000 0.433 1306 L N 1.932 123.087 121.223 -0.114 0.000 2.333 1306 L HA 0.608 4.948 4.340 -0.000 0.000 0.280 1306 L C -0.328 176.486 176.870 -0.093 0.000 1.004 1306 L CA -0.432 54.361 54.840 -0.078 0.000 0.820 1306 L CB 1.823 43.855 42.059 -0.044 0.000 1.247 1306 L HN 0.625 nan 8.230 nan 0.000 0.416 1307 E N 1.942 122.107 120.200 -0.058 0.000 2.134 1307 E HA 0.264 4.614 4.350 -0.000 0.000 0.278 1307 E C -0.264 176.329 176.600 -0.012 0.000 0.959 1307 E CA -0.363 56.020 56.400 -0.029 0.000 0.783 1307 E CB 2.421 32.127 29.700 0.009 0.000 1.095 1307 E HN 0.482 nan 8.360 nan 0.000 0.399 1308 T N 1.076 115.619 114.554 -0.020 0.000 2.887 1308 T HA -0.017 4.333 4.350 -0.000 0.000 0.371 1308 T C 0.060 174.757 174.700 -0.005 0.000 1.126 1308 T CA 0.270 62.364 62.100 -0.011 0.000 1.043 1308 T CB 0.267 69.121 68.868 -0.023 0.000 1.362 1308 T HN 0.506 nan 8.240 nan 0.000 0.525 1309 D N -0.524 119.871 120.400 -0.008 0.000 4.082 1309 D HA 0.322 4.962 4.640 -0.000 0.000 0.255 1309 D C -0.499 175.791 176.300 -0.017 0.000 1.427 1309 D CA 0.302 54.296 54.000 -0.009 0.000 0.804 1309 D CB -0.367 40.433 40.800 -0.001 0.000 1.364 1309 D HN 0.901 nan 8.370 nan 0.000 0.809 1310 G N -0.679 108.105 108.800 -0.026 0.000 2.358 1310 G HA2 0.403 4.363 3.960 -0.000 0.000 0.301 1310 G HA3 0.403 4.363 3.960 -0.000 0.000 0.301 1310 G C -2.020 172.855 174.900 -0.041 0.000 1.539 1310 G CA -0.440 44.638 45.100 -0.036 0.000 0.893 1310 G HN 0.157 nan 8.290 nan 0.000 0.636 1311 V N 1.175 121.059 119.914 -0.049 0.000 2.623 1311 V HA 0.770 4.889 4.120 -0.000 0.000 0.304 1311 V C -0.880 175.186 176.094 -0.047 0.000 1.054 1311 V CA -0.872 61.398 62.300 -0.050 0.000 0.882 1311 V CB 2.124 33.911 31.823 -0.060 0.000 1.002 1311 V HN 0.943 nan 8.190 nan 0.000 0.424 1312 N N 3.814 122.492 118.700 -0.037 0.000 2.549 1312 N HA 0.386 5.126 4.740 -0.000 0.000 0.290 1312 N C -0.261 175.239 175.510 -0.018 0.000 1.122 1312 N CA -0.494 52.538 53.050 -0.029 0.000 0.885 1312 N CB 1.903 40.373 38.487 -0.029 0.000 1.455 1312 N HN 0.453 nan 8.380 nan 0.000 0.521 1313 L N 3.171 124.386 121.223 -0.013 0.000 2.187 1313 L HA 0.225 4.565 4.340 -0.000 0.000 0.197 1313 L C 2.082 178.957 176.870 0.009 0.000 1.090 1313 L CA 1.890 56.730 54.840 0.000 0.000 0.781 1313 L CB -1.039 41.023 42.059 0.005 0.000 0.956 1313 L HN 0.735 nan 8.230 nan 0.000 0.463 1314 S N -0.814 114.890 115.700 0.007 0.000 2.443 1314 S HA -0.282 4.188 4.470 -0.000 0.000 0.246 1314 S C 1.523 176.130 174.600 0.011 0.000 1.058 1314 S CA 1.866 60.072 58.200 0.010 0.000 1.028 1314 S CB -0.641 62.562 63.200 0.005 0.000 0.821 1314 S HN 0.657 nan 8.310 nan 0.000 0.484 1315 E N 0.395 120.600 120.200 0.008 0.000 2.207 1315 E HA 0.172 4.522 4.350 -0.000 0.000 0.197 1315 E C 2.193 178.802 176.600 0.015 0.000 0.914 1315 E CA 0.810 57.217 56.400 0.010 0.000 0.914 1315 E CB -0.473 29.231 29.700 0.006 0.000 0.893 1315 E HN 0.438 nan 8.360 nan 0.000 0.479 1316 V N 2.538 122.460 119.914 0.013 0.000 3.140 1316 V HA -0.183 3.937 4.120 -0.000 0.000 0.269 1316 V C 2.308 178.417 176.094 0.025 0.000 1.149 1316 V CA 1.368 63.678 62.300 0.017 0.000 1.162 1316 V CB -0.743 31.086 31.823 0.010 0.000 0.756 1316 V HN 0.235 nan 8.190 nan 0.000 0.523 1317 M N 1.170 120.787 119.600 0.028 0.000 2.248 1317 M HA -0.102 4.378 4.480 -0.000 0.000 0.265 1317 M C 2.319 178.641 176.300 0.037 0.000 1.079 1317 M CA 2.009 57.332 55.300 0.038 0.000 1.150 1317 M CB -0.140 32.484 32.600 0.039 0.000 1.366 1317 M HN 0.491 nan 8.290 nan 0.000 0.433 1318 T N -1.021 113.551 114.554 0.030 0.000 3.051 1318 T HA 0.084 4.434 4.350 -0.000 0.000 0.269 1318 T C 0.685 175.402 174.700 0.029 0.000 1.127 1318 T CA 0.029 62.146 62.100 0.028 0.000 1.107 1318 T CB -1.118 67.763 68.868 0.022 0.000 0.898 1318 T HN 0.188 nan 8.240 nan 0.000 0.517 1319 V N 4.508 124.439 119.914 0.029 0.000 2.872 1319 V HA 0.212 4.331 4.120 -0.000 0.000 0.307 1319 V C -1.583 174.534 176.094 0.038 0.000 1.072 1319 V CA -1.408 60.910 62.300 0.029 0.000 1.148 1319 V CB 0.458 32.298 31.823 0.028 0.000 0.954 1319 V HN 0.440 nan 8.190 nan 0.000 0.490 1320 P HA 0.430 nan 4.420 nan 0.000 0.284 1320 P C 0.545 177.881 177.300 0.061 0.000 1.258 1320 P CA 0.485 63.613 63.100 0.047 0.000 0.824 1320 P CB 1.737 33.457 31.700 0.033 0.000 1.038 1321 G N 1.971 110.831 108.800 0.100 0.000 2.254 1321 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.225 1321 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.225 1321 G C 0.182 175.176 174.900 0.157 0.000 1.003 1321 G CA 0.209 45.401 45.100 0.153 0.000 0.622 1321 G HN 0.748 nan 8.290 nan 0.000 0.507 1322 I N -0.998 119.634 120.570 0.103 0.000 2.488 1322 I HA 0.697 4.867 4.170 -0.000 0.000 0.299 1322 I C -0.496 175.672 176.117 0.084 0.000 0.984 1322 I CA -1.044 60.312 61.300 0.094 0.000 1.250 1322 I CB 1.510 39.558 38.000 0.079 0.000 1.389 1322 I HN -0.072 nan 8.210 nan 0.000 0.488 1323 D N 7.261 127.718 120.400 0.096 0.000 2.338 1323 D HA 0.185 4.824 4.640 -0.000 0.000 0.255 1323 D C -1.825 174.536 176.300 0.103 0.000 1.237 1323 D CA -1.760 52.289 54.000 0.081 0.000 0.883 1323 D CB 1.250 42.105 40.800 0.091 0.000 1.087 1323 D HN 0.447 nan 8.370 nan 0.000 0.485 1324 P HA 0.091 nan 4.420 nan 0.000 0.249 1324 P C 0.511 177.856 177.300 0.075 0.000 1.583 1324 P CA -0.016 63.130 63.100 0.078 0.000 0.988 1324 P CB 0.472 32.207 31.700 0.059 0.000 1.530 1325 T N -0.668 113.932 114.554 0.077 0.000 3.043 1325 T HA 0.268 4.618 4.350 -0.000 0.000 0.272 1325 T C 1.115 175.857 174.700 0.071 0.000 0.990 1325 T CA 0.084 62.219 62.100 0.059 0.000 0.897 1325 T CB 0.109 68.993 68.868 0.026 0.000 1.111 1325 T HN 0.080 nan 8.240 nan 0.000 0.529 1326 R N 0.178 120.755 120.500 0.129 0.000 2.541 1326 R HA 0.437 4.777 4.340 -0.000 0.000 0.332 1326 R C 0.304 176.855 176.300 0.419 0.000 0.951 1326 R CA -0.303 55.900 56.100 0.172 0.000 1.136 1326 R CB 0.775 31.075 30.300 0.000 0.000 1.449 1326 R HN 0.327 nan 8.270 nan 0.000 0.531 1327 I N 1.653 122.413 120.570 0.316 0.000 2.710 1327 I HA -0.040 4.129 4.170 -0.000 0.000 0.286 1327 I C -0.909 175.403 176.117 0.326 0.000 1.181 1327 I CA 0.350 61.815 61.300 0.274 0.000 1.430 1327 I CB 0.319 38.412 38.000 0.156 0.000 1.367 1327 I HN 0.019 nan 8.210 nan 0.000 0.577 1328 Y N 5.952 126.325 120.300 0.121 0.000 2.534 1328 Y HA 0.518 5.068 4.550 -0.000 0.000 0.345 1328 Y C -0.994 174.947 175.900 0.069 0.000 1.031 1328 Y CA -0.770 57.397 58.100 0.112 0.000 1.022 1328 Y CB 1.981 40.538 38.460 0.161 0.000 1.292 1328 Y HN 0.566 nan 8.280 nan 0.000 0.459 1329 T N 4.432 118.513 114.554 -0.790 0.000 2.900 1329 T HA 0.196 4.546 4.350 -0.000 0.000 0.295 1329 T C 0.367 174.588 174.700 -0.798 0.000 1.044 1329 T CA -0.734 61.008 62.100 -0.597 0.000 0.995 1329 T CB 1.302 70.021 68.868 -0.250 0.000 1.072 1329 T HN 0.698 nan 8.240 nan 0.000 0.473 1330 N N 0.373 118.823 118.700 -0.416 0.000 2.354 1330 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 1330 N C 0.989 176.497 175.510 -0.004 0.000 1.021 1330 N CA 0.179 53.122 53.050 -0.178 0.000 0.887 1330 N CB -0.060 38.405 38.487 -0.036 0.000 0.974 1330 N HN 0.418 nan 8.380 nan 0.000 0.437 1331 S N 0.756 116.407 115.700 -0.081 0.000 2.962 1331 S HA 0.053 4.523 4.470 -0.000 0.000 0.320 1331 S C 0.683 175.220 174.600 -0.105 0.000 1.186 1331 S CA -0.786 57.340 58.200 -0.123 0.000 1.180 1331 S CB -1.211 61.898 63.200 -0.152 0.000 1.491 1331 S HN 0.368 nan 8.310 nan 0.000 0.556 1332 F N 3.492 123.447 119.950 0.008 0.000 2.307 1332 F HA -0.030 4.497 4.527 -0.000 0.000 0.301 1332 F C 1.628 177.453 175.800 0.042 0.000 1.076 1332 F CA 0.351 58.382 58.000 0.051 0.000 1.383 1332 F CB -0.528 38.525 39.000 0.088 0.000 1.055 1332 F HN 0.434 nan 8.300 nan 0.000 0.526 1333 I N 1.652 121.857 120.570 -0.609 0.000 2.194 1333 I HA -0.295 3.875 4.170 -0.000 0.000 0.246 1333 I C 2.131 178.175 176.117 -0.123 0.000 1.093 1333 I CA 1.768 62.852 61.300 -0.361 0.000 1.355 1333 I CB -0.897 36.869 38.000 -0.390 0.000 1.046 1333 I HN 0.331 nan 8.210 nan 0.000 0.413 1334 D N 0.586 120.922 120.400 -0.107 0.000 2.077 1334 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 1334 D C 2.231 178.539 176.300 0.013 0.000 0.983 1334 D CA 1.143 55.118 54.000 -0.043 0.000 0.841 1334 D CB -0.130 40.640 40.800 -0.051 0.000 0.992 1334 D HN 0.262 nan 8.370 nan 0.000 0.450 1335 I N 1.417 122.015 120.570 0.046 0.000 2.462 1335 I HA -0.276 3.894 4.170 -0.000 0.000 0.259 1335 I C 2.443 178.624 176.117 0.107 0.000 1.156 1335 I CA 0.731 62.090 61.300 0.099 0.000 1.417 1335 I CB -0.205 37.896 38.000 0.167 0.000 1.088 1335 I HN 0.140 nan 8.210 nan 0.000 0.442 1336 M N 0.272 119.935 119.600 0.104 0.000 2.349 1336 M HA -0.115 4.365 4.480 -0.000 0.000 0.266 1336 M C 1.719 178.060 176.300 0.069 0.000 1.076 1336 M CA 1.712 57.076 55.300 0.106 0.000 1.126 1336 M CB -0.190 32.488 32.600 0.129 0.000 1.392 1336 M HN 0.239 nan 8.290 nan 0.000 0.440 1337 E N -0.933 119.294 120.200 0.045 0.000 2.276 1337 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 1337 E C 1.931 178.550 176.600 0.032 0.000 0.983 1337 E CA 0.515 56.934 56.400 0.031 0.000 0.861 1337 E CB 0.457 30.165 29.700 0.013 0.000 0.817 1337 E HN 0.321 nan 8.360 nan 0.000 0.485 1338 V N 0.990 120.927 119.914 0.038 0.000 2.403 1338 V HA -0.077 4.043 4.120 -0.000 0.000 0.239 1338 V C 1.975 178.097 176.094 0.047 0.000 1.041 1338 V CA 0.973 63.296 62.300 0.038 0.000 1.051 1338 V CB -0.140 31.706 31.823 0.038 0.000 0.704 1338 V HN 0.204 nan 8.190 nan 0.000 0.472 1339 L N 0.315 121.574 121.223 0.060 0.000 2.558 1339 L HA 0.467 4.807 4.340 -0.000 0.000 0.225 1339 L C 0.996 177.904 176.870 0.063 0.000 1.128 1339 L CA 0.732 55.611 54.840 0.065 0.000 0.868 1339 L CB -0.576 41.532 42.059 0.082 0.000 1.006 1339 L HN 0.556 nan 8.230 nan 0.000 0.454 1340 G N 0.295 109.134 108.800 0.065 0.000 2.712 1340 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 1340 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 1340 G C 0.153 175.099 174.900 0.077 0.000 1.181 1340 G CA -0.318 44.820 45.100 0.064 0.000 0.762 1340 G HN -0.055 nan 8.290 nan 0.000 0.641 1341 I N 0.802 121.417 120.570 0.075 0.000 2.121 1341 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 1341 I C 2.569 178.737 176.117 0.085 0.000 1.047 1341 I CA 2.935 64.286 61.300 0.085 0.000 1.308 1341 I CB -0.020 38.025 38.000 0.076 0.000 1.015 1341 I HN 0.731 nan 8.210 nan 0.000 0.410 1342 E N 0.330 120.573 120.200 0.072 0.000 2.097 1342 E HA -0.248 4.102 4.350 -0.000 0.000 0.196 1342 E C 2.197 178.839 176.600 0.070 0.000 1.000 1342 E CA 1.602 58.042 56.400 0.066 0.000 0.804 1342 E CB -0.527 29.206 29.700 0.054 0.000 0.740 1342 E HN 0.658 nan 8.360 nan 0.000 0.454 1343 A N 0.290 123.156 122.820 0.077 0.000 2.014 1343 A HA 0.025 4.344 4.320 -0.000 0.000 0.218 1343 A C 2.386 180.043 177.584 0.123 0.000 1.163 1343 A CA 1.543 53.633 52.037 0.088 0.000 0.652 1343 A CB -0.632 18.422 19.000 0.090 0.000 0.808 1343 A HN 0.325 nan 8.150 nan 0.000 0.449 1344 G N -0.543 108.337 108.800 0.134 0.000 2.414 1344 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.215 1344 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.215 1344 G C 1.716 176.706 174.900 0.150 0.000 1.188 1344 G CA 0.798 46.008 45.100 0.183 0.000 0.783 1344 G HN 0.452 nan 8.290 nan 0.000 0.537 1345 R N 0.663 121.228 120.500 0.108 0.000 2.133 1345 R HA -0.156 4.184 4.340 -0.000 0.000 0.247 1345 R C 2.813 179.158 176.300 0.075 0.000 1.151 1345 R CA 1.664 57.809 56.100 0.075 0.000 0.971 1345 R CB -0.454 29.887 30.300 0.069 0.000 0.866 1345 R HN 0.325 nan 8.270 nan 0.000 0.447 1346 A N 0.319 123.185 122.820 0.076 0.000 1.877 1346 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 1346 A C 2.304 179.946 177.584 0.096 0.000 1.186 1346 A CA 1.773 53.844 52.037 0.057 0.000 0.620 1346 A CB -0.612 18.410 19.000 0.037 0.000 0.822 1346 A HN 0.505 nan 8.150 nan 0.000 0.443 1347 A N -0.848 122.062 122.820 0.151 0.000 1.968 1347 A HA 0.116 4.436 4.320 -0.000 0.000 0.217 1347 A C 2.074 179.740 177.584 0.136 0.000 1.169 1347 A CA 1.471 53.655 52.037 0.246 0.000 0.638 1347 A CB -0.525 18.735 19.000 0.433 0.000 0.812 1347 A HN 0.613 nan 8.150 nan 0.000 0.446 1348 L N -1.100 120.116 121.223 -0.012 0.000 1.989 1348 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 1348 L C 2.301 179.085 176.870 -0.142 0.000 1.071 1348 L CA 2.608 57.243 54.840 -0.340 0.000 0.749 1348 L CB -1.127 40.728 42.059 -0.341 0.000 0.890 1348 L HN 0.550 nan 8.230 nan 0.000 0.431 1349 Y N 0.247 120.469 120.300 -0.129 0.000 2.128 1349 Y HA -0.342 4.208 4.550 -0.000 0.000 0.284 1349 Y C 2.756 178.642 175.900 -0.024 0.000 1.154 1349 Y CA 2.334 60.380 58.100 -0.090 0.000 1.149 1349 Y CB -0.156 38.245 38.460 -0.099 0.000 0.976 1349 Y HN 0.254 nan 8.280 nan 0.000 0.505 1350 K N 0.000 120.598 120.400 0.329 0.000 2.059 1350 K HA -0.315 4.005 4.320 -0.000 0.000 0.212 1350 K C 2.023 178.696 176.600 0.123 0.000 1.050 1350 K CA 2.214 58.628 56.287 0.212 0.000 0.927 1350 K CB -0.197 32.336 32.500 0.055 0.000 0.714 1350 K HN 0.318 nan 8.250 nan 0.000 0.447 1351 E N -0.192 120.073 120.200 0.109 0.000 2.046 1351 E HA -0.101 4.249 4.350 -0.000 0.000 0.190 1351 E C 1.826 178.438 176.600 0.019 0.000 0.982 1351 E CA 1.081 57.537 56.400 0.092 0.000 0.800 1351 E CB 0.004 29.771 29.700 0.112 0.000 0.756 1351 E HN 0.114 nan 8.360 nan 0.000 0.449 1352 V N 0.802 120.668 119.914 -0.081 0.000 2.278 1352 V HA -0.342 3.778 4.120 -0.000 0.000 0.251 1352 V C 2.163 178.198 176.094 -0.100 0.000 1.062 1352 V CA 2.374 64.594 62.300 -0.133 0.000 1.038 1352 V CB -0.856 30.821 31.823 -0.243 0.000 0.646 1352 V HN 0.446 nan 8.190 nan 0.000 0.447 1353 Y N 1.075 121.179 120.300 -0.327 0.000 2.128 1353 Y HA -0.295 4.255 4.550 -0.000 0.000 0.284 1353 Y C 2.789 178.632 175.900 -0.094 0.000 1.154 1353 Y CA 1.922 59.862 58.100 -0.266 0.000 1.149 1353 Y CB -0.201 38.113 38.460 -0.243 0.000 0.976 1353 Y HN 0.284 nan 8.280 nan 0.000 0.505 1354 N N 0.152 119.032 118.700 0.300 0.000 2.104 1354 N HA -0.229 4.511 4.740 -0.000 0.000 0.190 1354 N C 1.850 177.442 175.510 0.137 0.000 1.024 1354 N CA 1.571 54.745 53.050 0.206 0.000 0.853 1354 N CB -0.501 38.047 38.487 0.103 0.000 1.008 1354 N HN 0.332 nan 8.380 nan 0.000 0.424 1355 V N 1.592 121.553 119.914 0.079 0.000 2.490 1355 V HA -0.145 3.974 4.120 -0.000 0.000 0.250 1355 V C 2.013 178.120 176.094 0.022 0.000 1.061 1355 V CA 1.186 63.510 62.300 0.040 0.000 1.064 1355 V CB -0.161 31.671 31.823 0.016 0.000 0.670 1355 V HN 0.237 nan 8.190 nan 0.000 0.461 1356 I N -0.476 120.097 120.570 0.006 0.000 2.852 1356 I HA 0.010 4.180 4.170 -0.000 0.000 0.264 1356 I C 2.253 178.364 176.117 -0.011 0.000 1.179 1356 I CA 1.058 62.334 61.300 -0.039 0.000 1.480 1356 I CB -0.286 37.638 38.000 -0.127 0.000 1.111 1356 I HN 0.313 nan 8.210 nan 0.000 0.441 1357 A N 0.246 123.103 122.820 0.062 0.000 2.267 1357 A HA -0.006 4.314 4.320 -0.000 0.000 0.213 1357 A C 2.280 179.916 177.584 0.086 0.000 1.192 1357 A CA 0.782 52.881 52.037 0.103 0.000 0.851 1357 A CB -0.303 18.871 19.000 0.289 0.000 0.881 1357 A HN 0.421 nan 8.150 nan 0.000 0.494 1358 S N -0.175 115.569 115.700 0.073 0.000 2.428 1358 S HA -0.134 4.336 4.470 -0.000 0.000 0.230 1358 S C 1.306 175.926 174.600 0.034 0.000 1.014 1358 S CA 1.394 59.625 58.200 0.051 0.000 0.957 1358 S CB -0.329 62.900 63.200 0.048 0.000 0.784 1358 S HN 0.448 nan 8.310 nan 0.000 0.499 1359 D N 0.825 121.242 120.400 0.027 0.000 2.355 1359 D HA 0.263 4.903 4.640 -0.000 0.000 0.218 1359 D C 1.475 177.786 176.300 0.018 0.000 1.004 1359 D CA 0.894 54.905 54.000 0.018 0.000 0.880 1359 D CB -0.259 40.546 40.800 0.008 0.000 0.911 1359 D HN 0.536 nan 8.370 nan 0.000 0.528 1360 G N -0.593 108.221 108.800 0.025 0.000 2.241 1360 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.244 1360 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.244 1360 G C 0.744 175.661 174.900 0.029 0.000 0.998 1360 G CA 0.378 45.493 45.100 0.024 0.000 0.621 1360 G HN 0.367 nan 8.290 nan 0.000 0.519 1361 S N -0.453 115.260 115.700 0.022 0.000 2.612 1361 S HA 0.509 4.979 4.470 -0.000 0.000 0.253 1361 S C -0.314 174.329 174.600 0.071 0.000 1.346 1361 S CA 0.736 58.949 58.200 0.023 0.000 0.976 1361 S CB 0.945 64.135 63.200 -0.018 0.000 0.949 1361 S HN 1.127 nan 8.310 nan 0.000 0.584 1362 Y N -0.221 120.018 120.300 -0.102 0.000 2.441 1362 Y HA 0.551 5.101 4.550 -0.000 0.000 0.334 1362 Y C -1.639 174.184 175.900 -0.128 0.000 1.061 1362 Y CA -1.265 56.752 58.100 -0.137 0.000 1.032 1362 Y CB 0.862 39.258 38.460 -0.107 0.000 1.266 1362 Y HN 0.338 nan 8.280 nan 0.000 0.441 1363 V N 6.504 125.990 119.914 -0.713 0.000 2.577 1363 V HA 0.283 4.403 4.120 -0.000 0.000 0.303 1363 V C -0.215 175.504 176.094 -0.625 0.000 1.042 1363 V CA -1.332 60.581 62.300 -0.644 0.000 0.872 1363 V CB 1.741 33.387 31.823 -0.295 0.000 0.998 1363 V HN 0.855 nan 8.190 nan 0.000 0.423 1364 N N 3.166 121.538 118.700 -0.547 0.000 2.447 1364 N HA -0.055 4.685 4.740 -0.000 0.000 0.263 1364 N C 1.228 176.712 175.510 -0.043 0.000 1.226 1364 N CA 0.229 53.164 53.050 -0.192 0.000 0.906 1364 N CB 0.554 38.945 38.487 -0.159 0.000 1.060 1364 N HN 0.853 nan 8.380 nan 0.000 0.468 1365 Y N 5.695 126.010 120.300 0.026 0.000 2.136 1365 Y HA -0.436 4.113 4.550 -0.000 0.000 0.271 1365 Y C 2.310 178.208 175.900 -0.004 0.000 1.252 1365 Y CA 2.725 60.903 58.100 0.130 0.000 1.117 1365 Y CB -0.035 38.550 38.460 0.207 0.000 0.932 1365 Y HN 0.741 nan 8.280 nan 0.000 0.512 1366 R N -0.932 119.665 120.500 0.161 0.000 2.119 1366 R HA -0.257 4.083 4.340 -0.000 0.000 0.246 1366 R C 1.789 177.996 176.300 -0.155 0.000 1.146 1366 R CA 1.952 58.009 56.100 -0.071 0.000 0.962 1366 R CB -1.265 28.791 30.300 -0.408 0.000 0.863 1366 R HN 0.480 nan 8.270 nan 0.000 0.442 1367 H N 0.634 119.694 119.070 -0.016 0.000 2.299 1367 H HA -0.017 4.539 4.556 -0.000 0.000 0.302 1367 H C 2.181 177.447 175.328 -0.104 0.000 1.078 1367 H CA 1.847 57.864 56.048 -0.052 0.000 1.323 1367 H CB -0.450 29.261 29.762 -0.087 0.000 1.381 1367 H HN 0.166 nan 8.280 nan 0.000 0.498 1368 M N 0.638 120.206 119.600 -0.052 0.000 2.082 1368 M HA -0.172 4.308 4.480 -0.000 0.000 0.258 1368 M C 2.680 178.896 176.300 -0.141 0.000 1.071 1368 M CA 1.776 56.956 55.300 -0.201 0.000 1.103 1368 M CB -0.432 31.878 32.600 -0.482 0.000 1.307 1368 M HN 0.311 nan 8.290 nan 0.000 0.409 1369 A N 0.292 123.028 122.820 -0.140 0.000 1.882 1369 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 1369 A C 2.123 179.694 177.584 -0.022 0.000 1.253 1369 A CA 2.128 54.104 52.037 -0.101 0.000 0.664 1369 A CB -1.445 17.446 19.000 -0.180 0.000 0.838 1369 A HN 0.526 nan 8.150 nan 0.000 0.460 1370 L N -0.746 120.476 121.223 -0.001 0.000 2.010 1370 L HA -0.232 4.108 4.340 -0.000 0.000 0.219 1370 L C 2.581 179.444 176.870 -0.012 0.000 1.077 1370 L CA 2.801 57.655 54.840 0.023 0.000 0.773 1370 L CB -1.305 40.797 42.059 0.071 0.000 0.892 1370 L HN 0.560 nan 8.230 nan 0.000 0.436 1371 L N -0.647 120.553 121.223 -0.039 0.000 1.971 1371 L HA -0.228 4.112 4.340 -0.000 0.000 0.215 1371 L C 2.525 179.360 176.870 -0.057 0.000 1.072 1371 L CA 2.007 56.804 54.840 -0.071 0.000 0.758 1371 L CB -0.834 41.165 42.059 -0.100 0.000 0.889 1371 L HN 0.071 nan 8.230 nan 0.000 0.433 1372 V N 0.420 120.302 119.914 -0.053 0.000 2.231 1372 V HA -0.400 3.720 4.120 -0.000 0.000 0.250 1372 V C 2.395 178.488 176.094 -0.002 0.000 1.058 1372 V CA 2.328 64.609 62.300 -0.032 0.000 1.022 1372 V CB -0.984 30.845 31.823 0.010 0.000 0.640 1372 V HN 0.570 nan 8.190 nan 0.000 0.445 1373 D N 0.001 120.408 120.400 0.011 0.000 2.092 1373 D HA -0.159 4.481 4.640 -0.000 0.000 0.193 1373 D C 2.181 178.489 176.300 0.014 0.000 0.994 1373 D CA 1.902 55.916 54.000 0.024 0.000 0.828 1373 D CB -0.289 40.530 40.800 0.031 0.000 0.963 1373 D HN 0.368 nan 8.370 nan 0.000 0.450 1374 V N 1.387 121.298 119.914 -0.005 0.000 2.453 1374 V HA -0.275 3.845 4.120 -0.000 0.000 0.252 1374 V C 2.520 178.617 176.094 0.005 0.000 1.068 1374 V CA 1.444 63.736 62.300 -0.014 0.000 1.070 1374 V CB -0.474 31.319 31.823 -0.051 0.000 0.664 1374 V HN 0.224 nan 8.190 nan 0.000 0.461 1375 M N 0.245 119.850 119.600 0.008 0.000 2.254 1375 M HA -0.109 4.371 4.480 -0.000 0.000 0.265 1375 M C 2.235 178.571 176.300 0.061 0.000 1.066 1375 M CA 2.122 57.444 55.300 0.038 0.000 1.123 1375 M CB -0.433 32.183 32.600 0.027 0.000 1.388 1375 M HN 0.655 nan 8.290 nan 0.000 0.425 1376 T N -3.502 111.084 114.554 0.053 0.000 3.023 1376 T HA 0.021 4.371 4.350 -0.000 0.000 0.249 1376 T C 1.750 176.487 174.700 0.062 0.000 1.050 1376 T CA 0.782 62.922 62.100 0.067 0.000 1.088 1376 T CB -0.701 68.209 68.868 0.071 0.000 0.946 1376 T HN 0.417 nan 8.240 nan 0.000 0.480 1377 T N 1.622 116.205 114.554 0.049 0.000 2.531 1377 T HA -0.402 3.948 4.350 -0.000 0.000 0.261 1377 T C 1.952 176.683 174.700 0.051 0.000 1.141 1377 T CA 1.934 64.061 62.100 0.046 0.000 1.176 1377 T CB -1.273 67.609 68.868 0.023 0.000 0.863 1377 T HN 0.432 nan 8.240 nan 0.000 0.424 1378 Q N 1.254 121.083 119.800 0.049 0.000 2.207 1378 Q HA -0.192 4.148 4.340 -0.000 0.000 0.215 1378 Q C 2.138 178.172 176.000 0.056 0.000 1.006 1378 Q CA 2.193 58.028 55.803 0.052 0.000 0.903 1378 Q CB -0.593 28.180 28.738 0.058 0.000 0.947 1378 Q HN 0.922 nan 8.270 nan 0.000 0.414 1379 G N -2.870 105.967 108.800 0.062 0.000 3.758 1379 G HA2 0.026 3.986 3.960 -0.000 0.000 0.206 1379 G HA3 0.026 3.986 3.960 -0.000 0.000 0.206 1379 G C 0.107 175.047 174.900 0.067 0.000 0.946 1379 G CA 0.069 45.206 45.100 0.061 0.000 0.885 1379 G HN 0.612 nan 8.290 nan 0.000 0.392 1380 G N -0.391 108.453 108.800 0.073 0.000 3.259 1380 G HA2 0.545 4.505 3.960 -0.000 0.000 0.178 1380 G HA3 0.545 4.505 3.960 -0.000 0.000 0.178 1380 G C -0.888 174.073 174.900 0.102 0.000 1.129 1380 G CA -0.646 44.504 45.100 0.083 0.000 0.816 1380 G HN 0.471 nan 8.290 nan 0.000 0.634 1381 L N 2.377 123.669 121.223 0.115 0.000 2.475 1381 L HA 0.295 4.635 4.340 -0.000 0.000 0.253 1381 L C 0.076 177.028 176.870 0.137 0.000 1.137 1381 L CA -0.308 54.622 54.840 0.150 0.000 1.058 1381 L CB 0.354 42.539 42.059 0.210 0.000 1.382 1381 L HN 0.281 nan 8.230 nan 0.000 0.416 1382 T N 0.752 115.379 114.554 0.121 0.000 2.867 1382 T HA 0.083 4.433 4.350 -0.000 0.000 0.297 1382 T C 0.677 175.468 174.700 0.153 0.000 0.989 1382 T CA -0.188 61.990 62.100 0.130 0.000 1.159 1382 T CB 0.518 69.461 68.868 0.124 0.000 0.928 1382 T HN 0.587 nan 8.240 nan 0.000 0.538 1383 S N 1.934 117.738 115.700 0.174 0.000 2.610 1383 S HA 0.333 4.803 4.470 -0.000 0.000 0.273 1383 S C 0.434 175.194 174.600 0.266 0.000 1.274 1383 S CA -1.071 57.245 58.200 0.194 0.000 1.023 1383 S CB 1.038 64.352 63.200 0.190 0.000 0.962 1383 S HN 0.419 nan 8.310 nan 0.000 0.523 1384 V N 2.600 122.656 119.914 0.237 0.000 1.984 1384 V HA 0.258 4.378 4.120 -0.000 0.000 0.272 1384 V C 0.019 176.350 176.094 0.394 0.000 1.706 1384 V CA 0.053 62.550 62.300 0.328 0.000 1.644 1384 V CB -1.801 30.065 31.823 0.072 0.000 1.509 1384 V HN 1.006 nan 8.190 nan 0.000 0.511 1385 T N 0.520 115.278 114.554 0.340 0.000 2.894 1385 T HA 0.286 4.636 4.350 -0.000 0.000 0.309 1385 T C 1.019 175.641 174.700 -0.129 0.000 1.208 1385 T CA -0.782 61.396 62.100 0.129 0.000 1.016 1385 T CB 2.221 71.150 68.868 0.102 0.000 1.192 1385 T HN 0.428 nan 8.240 nan 0.000 0.491 1386 R N 0.718 121.089 120.500 -0.215 0.000 2.228 1386 R HA -0.261 4.079 4.340 -0.000 0.000 0.259 1386 R C 1.126 177.229 176.300 -0.327 0.000 1.183 1386 R CA 2.082 57.945 56.100 -0.394 0.000 1.002 1386 R CB -0.384 29.582 30.300 -0.556 0.000 0.879 1386 R HN 0.665 nan 8.270 nan 0.000 0.467 1387 H N -0.982 118.046 119.070 -0.071 0.000 2.384 1387 H HA 0.124 4.680 4.556 -0.000 0.000 0.300 1387 H C 1.831 177.141 175.328 -0.031 0.000 1.057 1387 H CA 1.257 57.280 56.048 -0.041 0.000 1.370 1387 H CB -0.496 29.265 29.762 -0.001 0.000 1.417 1387 H HN 0.419 nan 8.280 nan 0.000 0.527 1388 G N 0.963 109.829 108.800 0.110 0.000 2.620 1388 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.200 1388 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.200 1388 G C 1.426 176.370 174.900 0.074 0.000 1.710 1388 G CA 0.454 45.622 45.100 0.112 0.000 0.919 1388 G HN 0.354 nan 8.290 nan 0.000 0.455 1389 F N 1.733 121.719 119.950 0.060 0.000 2.141 1389 F HA -0.192 4.335 4.527 -0.000 0.000 0.300 1389 F C 1.701 177.525 175.800 0.041 0.000 1.079 1389 F CA 1.818 59.836 58.000 0.029 0.000 1.264 1389 F CB -0.862 38.126 39.000 -0.019 0.000 1.011 1389 F HN 0.220 nan 8.300 nan 0.000 0.487 1390 N N 0.375 118.653 118.700 -0.703 0.000 2.575 1390 N HA -0.032 4.708 4.740 -0.000 0.000 0.192 1390 N C 0.261 175.699 175.510 -0.120 0.000 1.200 1390 N CA 0.215 53.029 53.050 -0.393 0.000 0.897 1390 N CB -0.214 38.012 38.487 -0.435 0.000 0.990 1390 N HN 0.384 nan 8.380 nan 0.000 0.449 1391 R N -0.354 120.112 120.500 -0.055 0.000 2.767 1391 R HA 0.178 4.518 4.340 -0.000 0.000 0.377 1391 R C 0.075 176.390 176.300 0.025 0.000 1.151 1391 R CA -0.138 55.956 56.100 -0.011 0.000 1.046 1391 R CB 0.412 30.713 30.300 0.002 0.000 1.404 1391 R HN 0.184 nan 8.270 nan 0.000 0.580 1392 S N -0.314 115.411 115.700 0.042 0.000 2.561 1392 S HA 0.242 4.712 4.470 -0.000 0.000 0.282 1392 S C 0.806 175.428 174.600 0.037 0.000 1.123 1392 S CA -0.743 57.488 58.200 0.051 0.000 1.011 1392 S CB 0.672 63.916 63.200 0.073 0.000 1.244 1392 S HN 0.147 nan 8.310 nan 0.000 0.503 1393 N N 1.320 120.043 118.700 0.038 0.000 2.270 1393 N HA 0.123 4.863 4.740 -0.000 0.000 0.198 1393 N C -0.006 175.522 175.510 0.031 0.000 1.117 1393 N CA 0.265 53.333 53.050 0.030 0.000 0.845 1393 N CB -0.317 38.188 38.487 0.029 0.000 0.980 1393 N HN 0.726 nan 8.380 nan 0.000 0.486 1394 T N -0.379 114.198 114.554 0.038 0.000 2.788 1394 T HA 0.197 4.546 4.350 -0.000 0.000 0.333 1394 T C 1.199 175.919 174.700 0.033 0.000 1.090 1394 T CA -0.403 61.721 62.100 0.039 0.000 1.094 1394 T CB 0.595 69.495 68.868 0.053 0.000 0.999 1394 T HN 0.151 nan 8.240 nan 0.000 0.549 1395 G N -0.514 108.308 108.800 0.037 0.000 2.614 1395 G HA2 0.403 4.363 3.960 -0.000 0.000 0.239 1395 G HA3 0.403 4.363 3.960 -0.000 0.000 0.239 1395 G C 1.155 176.074 174.900 0.032 0.000 1.240 1395 G CA -0.427 44.701 45.100 0.047 0.000 0.842 1395 G HN 1.003 nan 8.290 nan 0.000 0.584 1396 A N 1.302 124.138 122.820 0.025 0.000 1.859 1396 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 1396 A C 2.503 180.057 177.584 -0.050 0.000 1.198 1396 A CA 1.678 53.665 52.037 -0.083 0.000 0.629 1396 A CB -0.715 18.104 19.000 -0.301 0.000 0.830 1396 A HN 0.622 nan 8.150 nan 0.000 0.446 1397 L N -1.229 120.022 121.223 0.046 0.000 2.021 1397 L HA -0.308 4.031 4.340 -0.000 0.000 0.215 1397 L C 2.883 179.773 176.870 0.033 0.000 1.074 1397 L CA 2.254 57.130 54.840 0.059 0.000 0.760 1397 L CB -0.523 41.607 42.059 0.119 0.000 0.889 1397 L HN 0.717 nan 8.230 nan 0.000 0.433 1398 M N -0.251 119.373 119.600 0.040 0.000 2.082 1398 M HA -0.288 4.192 4.480 -0.000 0.000 0.258 1398 M C 2.436 178.769 176.300 0.054 0.000 1.071 1398 M CA 1.957 57.282 55.300 0.041 0.000 1.103 1398 M CB -0.219 32.405 32.600 0.041 0.000 1.307 1398 M HN 0.000 nan 8.290 nan 0.000 0.409 1399 R N -0.021 120.505 120.500 0.045 0.000 2.096 1399 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 1399 R C 2.595 178.922 176.300 0.044 0.000 1.127 1399 R CA 1.743 57.877 56.100 0.056 0.000 0.968 1399 R CB -1.014 29.292 30.300 0.009 0.000 0.861 1399 R HN 0.813 nan 8.270 nan 0.000 0.440 1400 C N 0.534 119.828 119.300 -0.011 0.000 2.430 1400 C HA 0.032 4.492 4.460 -0.000 0.000 0.288 1400 C C 2.138 177.129 174.990 0.003 0.000 1.448 1400 C CA 0.318 59.310 59.018 -0.042 0.000 1.784 1400 C CB -1.131 26.555 27.740 -0.091 0.000 1.776 1400 C HN 0.378 nan 8.230 nan 0.000 0.547 1401 S N -1.003 114.732 115.700 0.058 0.000 2.840 1401 S HA 0.344 4.814 4.470 -0.000 0.000 0.235 1401 S C -0.303 174.416 174.600 0.199 0.000 0.968 1401 S CA -0.267 57.985 58.200 0.085 0.000 1.026 1401 S CB -1.035 62.206 63.200 0.068 0.000 0.788 1401 S HN 0.937 nan 8.310 nan 0.000 0.487 1402 F N 0.627 120.561 119.950 -0.026 0.000 2.688 1402 F HA 0.314 4.841 4.527 -0.000 0.000 0.332 1402 F C -0.009 175.758 175.800 -0.056 0.000 1.131 1402 F CA -0.578 57.413 58.000 -0.014 0.000 1.113 1402 F CB 0.332 39.348 39.000 0.026 0.000 1.359 1402 F HN 0.114 nan 8.300 nan 0.000 0.551 1403 E N 2.791 122.642 120.200 -0.583 0.000 3.182 1403 E HA -0.329 4.021 4.350 -0.000 0.000 0.399 1403 E C 0.609 177.010 176.600 -0.333 0.000 1.476 1403 E CA 1.812 57.850 56.400 -0.603 0.000 1.220 1403 E CB -0.853 28.231 29.700 -1.028 0.000 1.538 1403 E HN 0.888 nan 8.360 nan 0.000 0.480 1404 E N 2.697 122.714 120.200 -0.305 0.000 2.461 1404 E HA 0.009 4.359 4.350 -0.000 0.000 0.196 1404 E C 1.100 177.584 176.600 -0.193 0.000 1.129 1404 E CA 0.742 57.014 56.400 -0.215 0.000 0.902 1404 E CB -0.454 29.135 29.700 -0.185 0.000 0.963 1404 E HN 0.379 nan 8.360 nan 0.000 0.503 1405 T N 0.508 114.954 114.554 -0.180 0.000 1.824 1405 T HA -0.369 3.980 4.350 -0.000 0.000 0.134 1405 T C 1.845 176.400 174.700 -0.241 0.000 1.870 1405 T CA 2.095 64.090 62.100 -0.175 0.000 0.887 1405 T CB -0.931 67.845 68.868 -0.154 0.000 0.796 1405 T HN 0.136 nan 8.240 nan 0.000 0.404 1406 V N 1.867 121.597 119.914 -0.307 0.000 2.392 1406 V HA -0.161 3.959 4.120 -0.000 0.000 0.249 1406 V C 2.633 178.360 176.094 -0.611 0.000 1.059 1406 V CA 2.309 64.298 62.300 -0.517 0.000 1.051 1406 V CB -0.914 30.528 31.823 -0.635 0.000 0.658 1406 V HN 0.442 nan 8.190 nan 0.000 0.455 1407 E N 0.084 120.058 120.200 -0.377 0.000 2.153 1407 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 1407 E C 1.991 178.501 176.600 -0.150 0.000 0.988 1407 E CA 1.197 57.468 56.400 -0.216 0.000 0.811 1407 E CB -0.305 29.320 29.700 -0.125 0.000 0.746 1407 E HN 0.571 nan 8.360 nan 0.000 0.466 1408 I N -0.065 120.392 120.570 -0.188 0.000 2.500 1408 I HA -0.160 4.010 4.170 -0.000 0.000 0.252 1408 I C 1.925 177.911 176.117 -0.219 0.000 1.142 1408 I CA 0.671 61.871 61.300 -0.167 0.000 1.451 1408 I CB -0.161 37.743 38.000 -0.161 0.000 1.093 1408 I HN 0.106 nan 8.210 nan 0.000 0.430 1409 L N -0.291 120.767 121.223 -0.276 0.000 2.156 1409 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 1409 L C 2.499 179.290 176.870 -0.132 0.000 1.095 1409 L CA 1.341 55.984 54.840 -0.327 0.000 0.770 1409 L CB -0.484 41.396 42.059 -0.298 0.000 0.914 1409 L HN 0.196 nan 8.230 nan 0.000 0.439 1410 F N 0.749 120.600 119.950 -0.166 0.000 2.060 1410 F HA -0.250 4.277 4.527 -0.000 0.000 0.295 1410 F C 2.663 178.465 175.800 0.003 0.000 1.120 1410 F CA 0.816 58.756 58.000 -0.100 0.000 1.205 1410 F CB -0.045 38.851 39.000 -0.173 0.000 0.986 1410 F HN 0.082 nan 8.300 nan 0.000 0.470 1411 E N 1.134 121.435 120.200 0.169 0.000 2.273 1411 E HA -0.217 4.132 4.350 -0.000 0.000 0.198 1411 E C 1.757 178.300 176.600 -0.095 0.000 1.002 1411 E CA 1.223 57.634 56.400 0.018 0.000 0.828 1411 E CB -0.197 29.487 29.700 -0.028 0.000 0.747 1411 E HN 0.338 nan 8.360 nan 0.000 0.491 1412 A N -0.077 122.653 122.820 -0.150 0.000 1.854 1412 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 1412 A C 2.476 179.986 177.584 -0.124 0.000 1.192 1412 A CA 1.419 53.303 52.037 -0.256 0.000 0.611 1412 A CB -1.179 17.414 19.000 -0.679 0.000 0.832 1412 A HN 0.398 nan 8.150 nan 0.000 0.442 1413 G N -0.924 107.845 108.800 -0.052 0.000 2.471 1413 G HA2 0.148 4.107 3.960 -0.000 0.000 0.219 1413 G HA3 0.148 4.107 3.960 -0.000 0.000 0.219 1413 G C 1.311 176.170 174.900 -0.069 0.000 1.125 1413 G CA 1.064 46.187 45.100 0.038 0.000 0.775 1413 G HN 0.825 nan 8.290 nan 0.000 0.548 1414 A N -0.282 122.431 122.820 -0.178 0.000 2.275 1414 A HA 0.524 4.843 4.320 -0.000 0.000 0.212 1414 A C 1.858 179.070 177.584 -0.621 0.000 1.201 1414 A CA 0.996 52.748 52.037 -0.475 0.000 0.843 1414 A CB 0.251 18.813 19.000 -0.730 0.000 0.873 1414 A HN 0.175 nan 8.150 nan 0.000 0.492 1415 S N -1.486 113.992 115.700 -0.370 0.000 2.733 1415 S HA 0.454 4.924 4.470 -0.000 0.000 0.247 1415 S C 0.793 175.301 174.600 -0.153 0.000 1.043 1415 S CA 0.373 58.366 58.200 -0.345 0.000 1.066 1415 S CB 0.492 63.536 63.200 -0.261 0.000 1.045 1415 S HN 1.600 nan 8.310 nan 0.000 0.586 1416 A N 2.133 124.902 122.820 -0.084 0.000 2.687 1416 A HA -0.206 4.114 4.320 -0.000 0.000 0.299 1416 A C 0.161 177.764 177.584 0.031 0.000 1.497 1416 A CA 0.745 52.795 52.037 0.021 0.000 0.751 1416 A CB -1.974 17.100 19.000 0.123 0.000 1.048 1416 A HN 0.598 nan 8.150 nan 0.000 0.464 1417 E N -1.520 118.708 120.200 0.046 0.000 2.422 1417 E HA 0.334 4.684 4.350 -0.000 0.000 0.260 1417 E C -0.123 176.536 176.600 0.099 0.000 1.108 1417 E CA -0.149 56.294 56.400 0.071 0.000 0.943 1417 E CB 0.494 30.231 29.700 0.062 0.000 0.961 1417 E HN 0.647 nan 8.360 nan 0.000 0.443 1418 L N 2.493 123.753 121.223 0.062 0.000 2.376 1418 L HA 0.286 4.625 4.340 -0.000 0.000 0.275 1418 L C -1.154 175.737 176.870 0.035 0.000 0.987 1418 L CA -0.391 54.454 54.840 0.008 0.000 0.828 1418 L CB 1.658 43.709 42.059 -0.013 0.000 1.249 1418 L HN 0.380 nan 8.230 nan 0.000 0.409 1419 D N 2.718 123.134 120.400 0.027 0.000 2.193 1419 D HA 0.156 4.796 4.640 -0.000 0.000 0.244 1419 D C 0.205 176.506 176.300 0.001 0.000 1.064 1419 D CA -0.145 53.881 54.000 0.043 0.000 0.845 1419 D CB 1.745 42.605 40.800 0.100 0.000 1.148 1419 D HN 0.581 nan 8.370 nan 0.000 0.464 1420 D N 1.728 122.135 120.400 0.011 0.000 2.178 1420 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 1420 D C 0.788 177.086 176.300 -0.003 0.000 0.974 1420 D CA 0.642 54.644 54.000 0.003 0.000 0.841 1420 D CB 0.017 40.824 40.800 0.012 0.000 0.953 1420 D HN 0.525 nan 8.370 nan 0.000 0.478 1421 C N -0.077 119.224 119.300 0.003 0.000 4.614 1421 C HA -0.154 4.306 4.460 -0.000 0.000 0.300 1421 C C 1.357 176.346 174.990 -0.002 0.000 1.301 1421 C CA -0.109 58.907 59.018 -0.004 0.000 2.073 1421 C CB -2.537 25.192 27.740 -0.019 0.000 1.219 1421 C HN 0.413 nan 8.230 nan 0.000 0.772 1422 R N 0.075 120.579 120.500 0.007 0.000 2.404 1422 R HA 0.254 4.594 4.340 -0.000 0.000 0.237 1422 R C 1.200 177.505 176.300 0.008 0.000 0.907 1422 R CA 0.607 56.714 56.100 0.012 0.000 1.063 1422 R CB 0.481 30.795 30.300 0.024 0.000 1.134 1422 R HN 0.566 nan 8.270 nan 0.000 0.529 1423 G N 0.512 109.316 108.800 0.006 0.000 2.415 1423 G HA2 0.273 4.233 3.960 -0.000 0.000 0.269 1423 G HA3 0.273 4.233 3.960 -0.000 0.000 0.269 1423 G C 1.186 176.079 174.900 -0.012 0.000 1.209 1423 G CA -0.595 44.506 45.100 0.002 0.000 0.835 1423 G HN -0.133 nan 8.290 nan 0.000 0.534 1424 V N 2.698 122.597 119.914 -0.024 0.000 2.215 1424 V HA -0.274 3.845 4.120 -0.000 0.000 0.249 1424 V C 3.005 179.083 176.094 -0.026 0.000 1.054 1424 V CA 2.630 64.908 62.300 -0.036 0.000 1.012 1424 V CB -1.211 30.584 31.823 -0.048 0.000 0.639 1424 V HN 0.725 nan 8.190 nan 0.000 0.448 1425 S N -0.196 115.493 115.700 -0.019 0.000 2.380 1425 S HA -0.310 4.160 4.470 -0.000 0.000 0.229 1425 S C 1.882 176.481 174.600 -0.002 0.000 1.050 1425 S CA 1.957 60.152 58.200 -0.008 0.000 1.100 1425 S CB -0.629 62.573 63.200 0.004 0.000 0.984 1425 S HN 0.712 nan 8.310 nan 0.000 0.434 1426 E N 1.528 121.731 120.200 0.005 0.000 2.136 1426 E HA -0.229 4.121 4.350 -0.000 0.000 0.208 1426 E C 1.739 178.336 176.600 -0.004 0.000 1.035 1426 E CA 1.325 57.730 56.400 0.009 0.000 0.838 1426 E CB -0.705 29.001 29.700 0.010 0.000 0.748 1426 E HN 0.591 nan 8.360 nan 0.000 0.459 1427 N N 0.344 119.035 118.700 -0.013 0.000 2.300 1427 N HA -0.064 4.676 4.740 -0.000 0.000 0.179 1427 N C 2.092 177.589 175.510 -0.021 0.000 1.016 1427 N CA 0.679 53.716 53.050 -0.021 0.000 0.876 1427 N CB 0.055 38.524 38.487 -0.029 0.000 0.979 1427 N HN 0.005 nan 8.380 nan 0.000 0.432 1428 V N 2.188 122.090 119.914 -0.020 0.000 2.407 1428 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 1428 V C 2.241 178.327 176.094 -0.013 0.000 1.055 1428 V CA 1.185 63.473 62.300 -0.020 0.000 1.049 1428 V CB -0.315 31.496 31.823 -0.020 0.000 0.662 1428 V HN 0.242 nan 8.190 nan 0.000 0.455 1429 I N -0.735 119.831 120.570 -0.007 0.000 2.493 1429 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 1429 I C 1.949 178.062 176.117 -0.006 0.000 1.160 1429 I CA 1.401 62.700 61.300 -0.001 0.000 1.445 1429 I CB -0.070 37.936 38.000 0.010 0.000 1.086 1429 I HN 0.279 nan 8.210 nan 0.000 0.433 1430 L N 0.032 121.248 121.223 -0.012 0.000 2.554 1430 L HA 0.238 4.578 4.340 -0.000 0.000 0.225 1430 L C 1.276 178.133 176.870 -0.020 0.000 1.104 1430 L CA 0.304 55.133 54.840 -0.019 0.000 0.866 1430 L CB -0.059 41.986 42.059 -0.025 0.000 1.047 1430 L HN 0.393 nan 8.230 nan 0.000 0.468 1431 G N 1.001 109.790 108.800 -0.019 0.000 2.256 1431 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.272 1431 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.272 1431 G C -0.114 174.771 174.900 -0.024 0.000 1.076 1431 G CA -0.031 45.057 45.100 -0.020 0.000 0.882 1431 G HN 0.442 nan 8.290 nan 0.000 0.497 1432 Q N -0.995 118.789 119.800 -0.027 0.000 2.433 1432 Q HA 0.614 4.954 4.340 -0.000 0.000 0.279 1432 Q C 0.353 176.331 176.000 -0.037 0.000 1.105 1432 Q CA -1.168 54.617 55.803 -0.030 0.000 0.815 1432 Q CB 1.731 30.452 28.738 -0.029 0.000 1.403 1432 Q HN 0.380 nan 8.270 nan 0.000 0.435 1433 M N 1.822 121.397 119.600 -0.042 0.000 2.268 1433 M HA 0.233 4.713 4.480 -0.000 0.000 0.349 1433 M C -0.544 175.718 176.300 -0.064 0.000 1.485 1433 M CA 0.026 55.293 55.300 -0.055 0.000 1.094 1433 M CB 0.333 32.896 32.600 -0.062 0.000 1.843 1433 M HN 0.803 nan 8.290 nan 0.000 0.460 1434 A N 7.104 129.882 122.820 -0.069 0.000 2.371 1434 A HA 0.468 4.788 4.320 -0.000 0.000 0.257 1434 A C -2.388 175.137 177.584 -0.098 0.000 1.089 1434 A CA -1.344 50.650 52.037 -0.072 0.000 0.794 1434 A CB -0.349 18.610 19.000 -0.069 0.000 1.029 1434 A HN 0.650 nan 8.150 nan 0.000 0.488 1435 P HA 0.312 nan 4.420 nan 0.000 0.241 1435 P C -1.130 176.082 177.300 -0.147 0.000 1.760 1435 P CA 0.729 63.761 63.100 -0.112 0.000 1.081 1435 P CB -0.406 31.258 31.700 -0.060 0.000 1.975 1436 I N 0.436 120.901 120.570 -0.174 0.000 2.534 1436 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 1436 I C 1.245 177.247 176.117 -0.192 0.000 1.077 1436 I CA -0.134 61.061 61.300 -0.175 0.000 1.051 1436 I CB 1.728 39.648 38.000 -0.134 0.000 1.234 1436 I HN 0.341 nan 8.210 nan 0.000 0.425 1437 G N 3.936 112.625 108.800 -0.185 0.000 2.700 1437 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.350 1437 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.350 1437 G C 1.071 175.859 174.900 -0.188 0.000 1.250 1437 G CA 1.256 46.274 45.100 -0.137 0.000 0.978 1437 G HN 0.567 nan 8.290 nan 0.000 0.551 1438 T N 1.306 115.774 114.554 -0.144 0.000 2.931 1438 T HA -0.031 4.318 4.350 -0.000 0.000 0.267 1438 T C 1.914 176.325 174.700 -0.483 0.000 1.133 1438 T CA 2.290 64.271 62.100 -0.198 0.000 1.115 1438 T CB -0.427 68.385 68.868 -0.093 0.000 0.808 1438 T HN 1.390 nan 8.240 nan 0.000 0.561 1439 G N -0.575 107.954 108.800 -0.453 0.000 3.377 1439 G HA2 0.450 4.410 3.960 -0.000 0.000 0.257 1439 G HA3 0.450 4.410 3.960 -0.000 0.000 0.257 1439 G C 1.147 175.771 174.900 -0.461 0.000 1.038 1439 G CA 0.334 45.166 45.100 -0.448 0.000 0.809 1439 G HN 0.483 nan 8.290 nan 0.000 0.526 1440 A N 0.337 122.831 122.820 -0.543 0.000 2.239 1440 A HA 0.541 4.861 4.320 -0.000 0.000 0.209 1440 A C 0.402 177.997 177.584 0.019 0.000 1.171 1440 A CA 0.317 52.221 52.037 -0.223 0.000 0.768 1440 A CB -0.680 18.237 19.000 -0.138 0.000 0.790 1440 A HN 0.729 nan 8.150 nan 0.000 0.478 1441 F N -4.203 115.819 119.950 0.120 0.000 2.779 1441 F HA 0.677 5.204 4.527 -0.000 0.000 0.316 1441 F C -1.313 174.528 175.800 0.069 0.000 1.164 1441 F CA -2.163 55.915 58.000 0.130 0.000 0.924 1441 F CB 0.399 39.510 39.000 0.185 0.000 1.348 1441 F HN -0.199 nan 8.300 nan 0.000 0.467 1442 D N 0.531 121.145 120.400 0.356 0.000 2.272 1442 D HA 0.680 5.320 4.640 -0.000 0.000 0.247 1442 D C -1.212 175.240 176.300 0.253 0.000 0.990 1442 D CA -0.282 53.852 54.000 0.223 0.000 0.931 1442 D CB 2.758 43.631 40.800 0.121 0.000 1.195 1442 D HN 0.434 nan 8.370 nan 0.000 0.477 1443 V N 2.161 122.178 119.914 0.172 0.000 2.531 1443 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 1443 V C -0.288 175.854 176.094 0.080 0.000 1.034 1443 V CA -0.490 61.889 62.300 0.132 0.000 0.865 1443 V CB 1.656 33.569 31.823 0.151 0.000 0.995 1443 V HN 0.461 nan 8.190 nan 0.000 0.424 1444 M N 4.901 124.536 119.600 0.058 0.000 2.591 1444 M HA 0.656 5.136 4.480 -0.000 0.000 0.306 1444 M C -1.096 175.228 176.300 0.039 0.000 1.190 1444 M CA -0.675 54.651 55.300 0.044 0.000 0.889 1444 M CB 2.392 35.013 32.600 0.035 0.000 1.728 1444 M HN 0.505 nan 8.290 nan 0.000 0.458 1445 I N 0.178 120.770 120.570 0.037 0.000 2.396 1445 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 1445 I C -0.126 176.010 176.117 0.031 0.000 1.056 1445 I CA -0.273 61.051 61.300 0.040 0.000 1.365 1445 I CB -0.208 37.815 38.000 0.038 0.000 1.407 1445 I HN 0.433 nan 8.210 nan 0.000 0.509 1446 D N 5.541 125.960 120.400 0.032 0.000 2.468 1446 D HA 0.011 4.651 4.640 -0.000 0.000 0.218 1446 D C 1.210 177.513 176.300 0.005 0.000 1.155 1446 D CA -0.035 53.973 54.000 0.014 0.000 0.924 1446 D CB 0.507 41.312 40.800 0.007 0.000 1.029 1446 D HN 0.626 nan 8.370 nan 0.000 0.515 1447 E N 3.196 123.399 120.200 0.004 0.000 2.208 1447 E HA -0.276 4.074 4.350 -0.000 0.000 0.202 1447 E C 0.801 177.387 176.600 -0.024 0.000 1.014 1447 E CA 1.304 57.703 56.400 -0.002 0.000 0.819 1447 E CB 0.365 30.065 29.700 -0.001 0.000 0.735 1447 E HN 0.670 nan 8.360 nan 0.000 0.469 1448 E N -0.037 120.141 120.200 -0.037 0.000 2.001 1448 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 1448 E C 2.153 178.681 176.600 -0.120 0.000 1.002 1448 E CA 1.681 58.042 56.400 -0.065 0.000 0.819 1448 E CB -0.175 29.489 29.700 -0.060 0.000 0.769 1448 E HN 0.332 nan 8.360 nan 0.000 0.454 1449 S N 1.290 116.900 115.700 -0.151 0.000 2.440 1449 S HA -0.181 4.289 4.470 -0.000 0.000 0.240 1449 S C 1.850 176.229 174.600 -0.368 0.000 1.014 1449 S CA 0.744 58.744 58.200 -0.332 0.000 0.980 1449 S CB -0.279 62.780 63.200 -0.235 0.000 0.775 1449 S HN 0.162 nan 8.310 nan 0.000 0.499 1450 L N 0.742 121.909 121.223 -0.094 0.000 2.675 1450 L HA 0.297 4.637 4.340 -0.000 0.000 0.238 1450 L C 1.646 178.519 176.870 0.006 0.000 1.155 1450 L CA 0.521 55.383 54.840 0.036 0.000 0.881 1450 L CB 0.035 42.127 42.059 0.055 0.000 1.008 1450 L HN 0.213 nan 8.230 nan 0.000 0.443 1451 V N -1.772 118.091 119.914 -0.085 0.000 3.219 1451 V HA -0.002 4.118 4.120 -0.000 0.000 0.240 1451 V C 2.087 178.131 176.094 -0.083 0.000 1.222 1451 V CA 0.435 62.703 62.300 -0.053 0.000 1.181 1451 V CB 0.274 32.067 31.823 -0.051 0.000 0.941 1451 V HN 0.334 nan 8.190 nan 0.000 0.471 1452 K N -0.042 120.234 120.400 -0.208 0.000 2.281 1452 K HA -0.131 4.189 4.320 -0.000 0.000 0.203 1452 K C -0.044 176.488 176.600 -0.114 0.000 1.046 1452 K CA 1.243 57.399 56.287 -0.219 0.000 0.938 1452 K CB -0.204 32.078 32.500 -0.364 0.000 0.737 1452 K HN 0.519 nan 8.250 nan 0.000 0.458 1453 Y N 1.782 122.083 120.300 0.003 0.000 2.595 1453 Y HA 0.206 4.755 4.550 -0.000 0.000 0.347 1453 Y C -0.006 175.897 175.900 0.005 0.000 1.025 1453 Y CA -0.972 57.130 58.100 0.004 0.000 1.295 1453 Y CB -0.021 38.442 38.460 0.005 0.000 1.147 1453 Y HN 0.027 nan 8.280 nan 0.000 0.515 1454 M N 2.519 122.208 119.600 0.148 0.000 2.561 1454 M HA 0.307 4.787 4.480 -0.000 0.000 0.166 1454 M C -3.085 173.249 176.300 0.056 0.000 0.894 1454 M CA -1.292 54.059 55.300 0.084 0.000 0.719 1454 M CB -0.049 32.589 32.600 0.064 0.000 2.677 1454 M HN 0.205 nan 8.290 nan 0.000 0.376 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.119 63.100 0.032 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.026 0.000 0.726