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 1y1v_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 NTFHFAGVAS KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF 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 62.290 62.300 -0.017 0.000 1.235 2 V CB 0.000 31.813 31.823 -0.017 0.000 1.184 3 G N 3.198 111.987 108.800 -0.019 0.000 2.195 3 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.246 3 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.246 3 G C 0.277 175.166 174.900 -0.017 0.000 0.984 3 G CA 0.773 45.861 45.100 -0.019 0.000 0.633 3 G HN 1.758 nan 8.290 nan 0.000 0.525 4 Q N -1.045 118.746 119.800 -0.015 0.000 3.239 4 Q HA -0.168 4.172 4.340 -0.000 0.000 0.033 4 Q C 0.054 176.056 176.000 0.004 0.000 1.716 4 Q CA 1.488 57.285 55.803 -0.011 0.000 0.235 4 Q CB -0.284 28.440 28.738 -0.024 0.000 0.709 4 Q HN 1.137 nan 8.270 nan 0.000 0.324 5 Q N -0.596 119.218 119.800 0.022 0.000 2.698 5 Q HA -0.194 4.145 4.340 -0.000 0.000 0.196 5 Q C -1.207 174.842 176.000 0.081 0.000 1.408 5 Q CA 0.468 56.299 55.803 0.046 0.000 0.519 5 Q CB -0.576 28.172 28.738 0.017 0.000 0.672 5 Q HN 0.522 nan 8.270 nan 0.000 0.319 6 Y N 2.567 122.856 120.300 -0.018 0.000 2.511 6 Y HA 0.312 4.862 4.550 -0.000 0.000 0.347 6 Y C 0.137 176.031 175.900 -0.011 0.000 1.257 6 Y CA 0.949 59.041 58.100 -0.014 0.000 1.469 6 Y CB 0.935 39.388 38.460 -0.012 0.000 1.353 6 Y HN 0.479 nan 8.280 nan 0.000 0.617 7 S N 2.361 117.560 115.700 -0.835 0.000 2.614 7 S HA 0.290 4.760 4.470 -0.000 0.000 0.275 7 S C 0.505 174.591 174.600 -0.856 0.000 1.161 7 S CA -0.264 57.536 58.200 -0.666 0.000 0.969 7 S CB 0.951 63.975 63.200 -0.294 0.000 1.059 7 S HN 1.128 nan 8.310 nan 0.000 0.482 8 S N 3.733 119.071 115.700 -0.603 0.000 2.393 8 S HA -0.138 4.332 4.470 -0.000 0.000 0.234 8 S C 1.362 175.826 174.600 -0.226 0.000 1.064 8 S CA 0.951 58.948 58.200 -0.338 0.000 1.088 8 S CB -1.578 61.537 63.200 -0.141 0.000 0.939 8 S HN 2.187 nan 8.310 nan 0.000 0.448 9 A N 3.972 126.676 122.820 -0.193 0.000 2.630 9 A HA 0.246 4.566 4.320 -0.000 0.000 0.231 9 A C -1.415 176.117 177.584 -0.086 0.000 1.023 9 A CA 0.060 52.028 52.037 -0.115 0.000 0.773 9 A CB -0.623 18.313 19.000 -0.108 0.000 0.923 9 A HN 0.628 nan 8.150 nan 0.000 0.497 10 P HA 0.412 nan 4.420 nan 0.000 0.281 10 P C -0.874 176.416 177.300 -0.016 0.000 1.249 10 P CA -0.475 62.615 63.100 -0.016 0.000 0.810 10 P CB 1.134 32.830 31.700 -0.008 0.000 1.008 11 L N 3.191 124.413 121.223 -0.000 0.000 2.265 11 L HA 0.459 4.798 4.340 -0.000 0.000 0.289 11 L C 0.058 176.926 176.870 -0.002 0.000 1.033 11 L CA -0.064 54.775 54.840 -0.002 0.000 0.814 11 L CB 0.498 42.563 42.059 0.010 0.000 1.203 11 L HN 0.340 nan 8.230 nan 0.000 0.423 12 R N 1.922 122.417 120.500 -0.010 0.000 3.018 12 R HA 0.747 5.087 4.340 -0.000 0.000 0.243 12 R C -0.809 175.483 176.300 -0.015 0.000 1.315 12 R CA -0.610 55.484 56.100 -0.010 0.000 1.039 12 R CB 1.982 32.275 30.300 -0.011 0.000 1.315 12 R HN 0.675 nan 8.270 nan 0.000 0.492 13 T N -1.501 113.044 114.554 -0.016 0.000 2.942 13 T HA 0.491 4.840 4.350 -0.000 0.000 0.289 13 T C -0.017 174.668 174.700 -0.025 0.000 1.044 13 T CA -0.868 61.220 62.100 -0.021 0.000 1.023 13 T CB 1.535 70.392 68.868 -0.018 0.000 1.123 13 T HN 0.230 nan 8.240 nan 0.000 0.512 14 V N 2.177 122.072 119.914 -0.032 0.000 2.498 14 V HA 0.382 4.502 4.120 -0.000 0.000 0.279 14 V C 0.675 176.749 176.094 -0.032 0.000 1.048 14 V CA -0.662 61.614 62.300 -0.040 0.000 0.967 14 V CB 0.748 32.539 31.823 -0.053 0.000 0.988 14 V HN 0.863 nan 8.190 nan 0.000 0.473 15 K N 2.055 122.437 120.400 -0.031 0.000 2.325 15 K HA 0.338 4.658 4.320 -0.000 0.000 0.203 15 K C 0.335 176.923 176.600 -0.019 0.000 1.128 15 K CA 0.439 56.715 56.287 -0.018 0.000 0.931 15 K CB 0.841 33.335 32.500 -0.010 0.000 1.125 15 K HN 0.778 nan 8.250 nan 0.000 0.487 16 E N 0.877 121.058 120.200 -0.032 0.000 2.299 16 E HA 0.436 4.786 4.350 -0.000 0.000 0.265 16 E C -1.104 175.442 176.600 -0.090 0.000 0.911 16 E CA -0.831 55.548 56.400 -0.035 0.000 0.789 16 E CB 2.994 32.687 29.700 -0.013 0.000 1.246 16 E HN -0.282 nan 8.360 nan 0.000 0.427 17 V N 2.533 122.375 119.914 -0.120 0.000 2.357 17 V HA 0.098 4.218 4.120 -0.000 0.000 0.281 17 V C -0.435 175.464 176.094 -0.325 0.000 1.015 17 V CA -0.707 61.414 62.300 -0.299 0.000 0.827 17 V CB 1.295 32.891 31.823 -0.380 0.000 1.018 17 V HN 0.560 nan 8.190 nan 0.000 0.432 18 Q N 4.131 123.759 119.800 -0.287 0.000 3.181 18 Q HA 0.328 4.668 4.340 -0.000 0.000 0.293 18 Q C -0.346 175.554 176.000 -0.167 0.000 1.406 18 Q CA -0.392 55.330 55.803 -0.136 0.000 1.026 18 Q CB -0.263 28.411 28.738 -0.108 0.000 1.630 18 Q HN 0.589 nan 8.270 nan 0.000 0.553 19 F N -0.121 119.814 119.950 -0.026 0.000 2.612 19 F HA 0.205 4.732 4.527 -0.000 0.000 0.389 19 F C 1.509 177.306 175.800 -0.004 0.000 1.055 19 F CA 0.834 58.806 58.000 -0.047 0.000 1.232 19 F CB 0.449 39.435 39.000 -0.023 0.000 1.044 19 F HN 0.298 nan 8.300 nan 0.000 0.560 20 G N 3.065 111.918 108.800 0.088 0.000 3.021 20 G HA2 0.785 4.745 3.960 -0.000 0.000 0.290 20 G HA3 0.785 4.745 3.960 -0.000 0.000 0.290 20 G C -1.738 173.177 174.900 0.026 0.000 1.291 20 G CA -0.977 44.171 45.100 0.080 0.000 0.834 20 G HN 0.472 nan 8.290 nan 0.000 0.564 21 L N -0.191 121.047 121.223 0.026 0.000 2.401 21 L HA 0.453 4.792 4.340 -0.000 0.000 0.266 21 L C -0.991 175.752 176.870 -0.212 0.000 0.991 21 L CA -0.677 54.182 54.840 0.031 0.000 0.818 21 L CB 2.812 45.078 42.059 0.345 0.000 1.321 21 L HN 0.449 nan 8.230 nan 0.000 0.413 22 F N 1.654 121.494 119.950 -0.184 0.000 2.519 22 F HA 0.040 4.567 4.527 -0.000 0.000 0.375 22 F C 1.098 176.531 175.800 -0.612 0.000 1.084 22 F CA -0.228 57.559 58.000 -0.355 0.000 1.147 22 F CB 0.912 39.761 39.000 -0.252 0.000 1.088 22 F HN 0.479 nan 8.300 nan 0.000 0.555 23 S N 5.934 121.192 115.700 -0.737 0.000 2.528 23 S HA 0.151 4.620 4.470 -0.000 0.000 0.277 23 S C -1.452 172.944 174.600 -0.339 0.000 1.297 23 S CA -1.341 56.164 58.200 -1.158 0.000 1.052 23 S CB 1.201 63.728 63.200 -1.122 0.000 0.917 23 S HN 0.437 nan 8.310 nan 0.000 0.492 24 P HA -0.222 nan 4.420 nan 0.000 0.218 24 P C 0.879 178.157 177.300 -0.036 0.000 1.154 24 P CA 1.579 64.662 63.100 -0.027 0.000 0.872 24 P CB 0.052 31.796 31.700 0.073 0.000 0.790 25 E N 0.052 120.246 120.200 -0.010 0.000 2.118 25 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 25 E C 2.161 178.734 176.600 -0.045 0.000 0.992 25 E CA 1.329 57.727 56.400 -0.002 0.000 0.804 25 E CB -0.837 28.889 29.700 0.043 0.000 0.741 25 E HN 0.540 nan 8.360 nan 0.000 0.458 26 E N 0.190 120.348 120.200 -0.070 0.000 2.076 26 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 26 E C 1.954 178.463 176.600 -0.151 0.000 0.979 26 E CA 0.672 57.038 56.400 -0.057 0.000 0.807 26 E CB 0.153 29.870 29.700 0.029 0.000 0.761 26 E HN 0.058 nan 8.360 nan 0.000 0.454 27 V N 1.689 121.452 119.914 -0.251 0.000 2.278 27 V HA -0.349 3.771 4.120 -0.000 0.000 0.251 27 V C 2.487 178.428 176.094 -0.255 0.000 1.062 27 V CA 2.406 64.458 62.300 -0.413 0.000 1.038 27 V CB -0.570 31.055 31.823 -0.331 0.000 0.646 27 V HN 0.296 nan 8.190 nan 0.000 0.447 28 R N -0.257 120.135 120.500 -0.180 0.000 2.061 28 R HA -0.099 4.241 4.340 -0.000 0.000 0.230 28 R C 2.507 178.650 176.300 -0.260 0.000 1.140 28 R CA 1.420 57.348 56.100 -0.287 0.000 0.940 28 R CB -0.833 29.373 30.300 -0.157 0.000 0.839 28 R HN 0.523 nan 8.270 nan 0.000 0.429 29 A N 1.818 124.546 122.820 -0.154 0.000 1.882 29 A HA -0.265 4.054 4.320 -0.000 0.000 0.220 29 A C 2.218 179.736 177.584 -0.110 0.000 1.253 29 A CA 1.888 53.860 52.037 -0.109 0.000 0.664 29 A CB -0.924 18.037 19.000 -0.065 0.000 0.838 29 A HN 0.277 nan 8.150 nan 0.000 0.460 30 I N -0.282 120.222 120.570 -0.109 0.000 2.208 30 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 30 I C 1.625 177.708 176.117 -0.057 0.000 1.097 30 I CA 0.998 62.256 61.300 -0.071 0.000 1.363 30 I CB -0.335 37.608 38.000 -0.095 0.000 1.051 30 I HN 0.397 nan 8.210 nan 0.000 0.413 31 S N -0.120 115.510 115.700 -0.116 0.000 2.558 31 S HA 0.019 4.489 4.470 -0.000 0.000 0.291 31 S C 0.923 175.464 174.600 -0.097 0.000 1.306 31 S CA 0.193 58.336 58.200 -0.094 0.000 1.056 31 S CB 1.124 64.182 63.200 -0.236 0.000 0.836 31 S HN 0.240 nan 8.310 nan 0.000 0.504 32 V N 1.852 121.756 119.914 -0.018 0.000 3.612 32 V HA 0.652 4.772 4.120 -0.000 0.000 0.268 32 V C 0.505 176.612 176.094 0.022 0.000 1.365 32 V CA 0.359 62.646 62.300 -0.022 0.000 1.044 32 V CB -0.533 31.269 31.823 -0.035 0.000 0.820 32 V HN 0.916 nan 8.190 nan 0.000 0.444 33 A N 0.786 123.653 122.820 0.079 0.000 2.288 33 A HA 0.760 5.079 4.320 -0.000 0.000 0.320 33 A C 0.641 178.356 177.584 0.217 0.000 1.217 33 A CA -0.529 51.576 52.037 0.113 0.000 0.840 33 A CB 1.494 20.546 19.000 0.087 0.000 1.179 33 A HN 0.150 nan 8.150 nan 0.000 0.504 34 K N 1.610 122.113 120.400 0.171 0.000 2.283 34 K HA 0.087 4.407 4.320 -0.000 0.000 0.202 34 K C 0.415 177.037 176.600 0.036 0.000 1.048 34 K CA 0.398 56.793 56.287 0.179 0.000 0.948 34 K CB -0.623 31.951 32.500 0.123 0.000 0.742 34 K HN 0.775 nan 8.250 nan 0.000 0.458 35 I N 1.592 122.200 120.570 0.063 0.000 3.704 35 I HA -0.427 3.743 4.170 -0.000 0.000 0.126 35 I C 0.851 176.950 176.117 -0.031 0.000 1.017 35 I CA 0.295 61.613 61.300 0.029 0.000 2.740 35 I CB -0.705 37.296 38.000 0.000 0.000 1.302 35 I HN 0.246 nan 8.210 nan 0.000 0.342 36 R N 2.466 122.965 120.500 -0.002 0.000 2.074 36 R HA 0.202 4.542 4.340 -0.000 0.000 0.218 36 R C 0.436 176.565 176.300 -0.286 0.000 1.137 36 R CA 0.781 56.749 56.100 -0.220 0.000 0.998 36 R CB 0.147 30.189 30.300 -0.430 0.000 0.895 36 R HN 0.259 nan 8.270 nan 0.000 0.442 37 F N 1.727 121.660 119.950 -0.028 0.000 2.389 37 F HA 0.217 4.744 4.527 -0.000 0.000 0.337 37 F C -1.256 174.527 175.800 -0.029 0.000 1.112 37 F CA -2.647 55.338 58.000 -0.025 0.000 1.192 37 F CB 0.397 39.386 39.000 -0.018 0.000 1.185 37 F HN -0.048 nan 8.300 nan 0.000 0.552 38 P HA 0.016 nan 4.420 nan 0.000 0.245 38 P C -0.361 176.978 177.300 0.066 0.000 1.203 38 P CA 0.516 63.651 63.100 0.059 0.000 0.792 38 P CB 0.323 32.033 31.700 0.016 0.000 0.997 39 E N -0.268 119.990 120.200 0.096 0.000 2.409 39 E HA 0.104 4.454 4.350 -0.000 0.000 0.257 39 E C 0.922 177.547 176.600 0.043 0.000 1.150 39 E CA 0.200 56.635 56.400 0.058 0.000 0.942 39 E CB 0.384 30.110 29.700 0.044 0.000 0.979 39 E HN -0.038 nan 8.360 nan 0.000 0.447 40 T N 0.559 115.132 114.554 0.031 0.000 2.898 40 T HA 0.023 4.372 4.350 -0.000 0.000 0.241 40 T C 1.219 175.915 174.700 -0.007 0.000 1.024 40 T CA 1.047 63.158 62.100 0.019 0.000 1.174 40 T CB 0.126 69.012 68.868 0.029 0.000 0.873 40 T HN 0.445 nan 8.240 nan 0.000 0.422 41 M N -0.408 119.184 119.600 -0.013 0.000 2.485 41 M HA 0.362 4.842 4.480 -0.000 0.000 0.193 41 M C -1.110 175.165 176.300 -0.042 0.000 2.165 41 M CA -0.636 54.645 55.300 -0.031 0.000 1.310 41 M CB -0.037 32.549 32.600 -0.023 0.000 1.536 41 M HN -0.312 nan 8.290 nan 0.000 0.657 42 D N 3.911 124.294 120.400 -0.028 0.000 4.554 42 D HA -0.131 4.509 4.640 -0.000 0.000 0.185 42 D C -0.605 175.666 176.300 -0.048 0.000 1.202 42 D CA 0.854 54.836 54.000 -0.029 0.000 0.870 42 D CB -0.238 40.552 40.800 -0.016 0.000 1.028 42 D HN 0.470 nan 8.370 nan 0.000 0.550 43 E N 0.785 120.952 120.200 -0.055 0.000 2.975 43 E HA 0.017 4.367 4.350 -0.000 0.000 0.301 43 E C 0.277 176.844 176.600 -0.056 0.000 1.554 43 E CA 0.029 56.386 56.400 -0.073 0.000 1.716 43 E CB -0.212 29.448 29.700 -0.067 0.000 1.365 43 E HN 0.347 nan 8.360 nan 0.000 0.469 44 T N 0.234 114.760 114.554 -0.048 0.000 4.763 44 T HA -0.198 4.152 4.350 -0.000 0.000 0.311 44 T C 0.565 175.252 174.700 -0.023 0.000 1.048 44 T CA 0.678 62.758 62.100 -0.033 0.000 2.268 44 T CB -1.504 67.345 68.868 -0.032 0.000 1.857 44 T HN 0.616 nan 8.240 nan 0.000 1.026 45 Q N -2.399 117.388 119.800 -0.022 0.000 5.729 45 Q HA -0.141 4.199 4.340 -0.000 0.000 0.277 45 Q C 0.090 176.081 176.000 -0.016 0.000 0.982 45 Q CA 1.261 57.056 55.803 -0.014 0.000 0.819 45 Q CB -1.664 27.069 28.738 -0.010 0.000 0.574 45 Q HN 0.650 nan 8.270 nan 0.000 1.031 46 T N 3.364 117.905 114.554 -0.021 0.000 2.822 46 T HA 0.066 4.416 4.350 -0.000 0.000 0.288 46 T C 0.173 174.860 174.700 -0.022 0.000 0.991 46 T CA 0.398 62.485 62.100 -0.021 0.000 1.176 46 T CB 0.111 68.963 68.868 -0.026 0.000 0.951 46 T HN 0.085 nan 8.240 nan 0.000 0.526 47 R N 2.471 122.961 120.500 -0.017 0.000 2.421 47 R HA 0.475 4.815 4.340 -0.000 0.000 0.305 47 R C 0.574 176.861 176.300 -0.022 0.000 1.039 47 R CA -0.089 56.001 56.100 -0.017 0.000 1.003 47 R CB 0.260 30.553 30.300 -0.011 0.000 0.959 47 R HN 0.816 nan 8.270 nan 0.000 0.427 48 A N 2.864 125.669 122.820 -0.025 0.000 4.723 48 A HA 0.317 4.637 4.320 -0.000 0.000 0.103 48 A C -1.444 176.121 177.584 -0.032 0.000 1.227 48 A CA -0.768 51.252 52.037 -0.029 0.000 1.568 48 A CB 0.763 19.744 19.000 -0.032 0.000 1.980 48 A HN 0.508 nan 8.150 nan 0.000 0.914 49 K N 0.071 120.448 120.400 -0.038 0.000 2.543 49 K HA 0.606 4.926 4.320 -0.000 0.000 0.255 49 K C -1.445 175.120 176.600 -0.058 0.000 0.934 49 K CA -0.435 55.827 56.287 -0.041 0.000 0.810 49 K CB 2.224 34.705 32.500 -0.032 0.000 1.315 49 K HN 0.547 nan 8.250 nan 0.000 0.433 50 I N 1.022 121.546 120.570 -0.077 0.000 2.581 50 I HA 0.088 4.258 4.170 -0.000 0.000 0.288 50 I C 1.394 177.455 176.117 -0.093 0.000 1.047 50 I CA -0.050 61.172 61.300 -0.130 0.000 1.374 50 I CB 1.037 38.902 38.000 -0.224 0.000 1.423 50 I HN 0.874 nan 8.210 nan 0.000 0.549 51 G N 3.883 112.621 108.800 -0.103 0.000 3.325 51 G HA2 0.235 4.195 3.960 -0.000 0.000 0.242 51 G HA3 0.235 4.195 3.960 -0.000 0.000 0.242 51 G C 0.660 175.589 174.900 0.048 0.000 1.120 51 G CA 0.377 45.463 45.100 -0.022 0.000 1.778 51 G HN 0.956 nan 8.290 nan 0.000 0.610 52 G N -0.290 108.539 108.800 0.047 0.000 2.472 52 G HA2 0.406 4.366 3.960 -0.000 0.000 0.199 52 G HA3 0.406 4.366 3.960 -0.000 0.000 0.199 52 G C 0.128 175.118 174.900 0.149 0.000 1.547 52 G CA -0.259 44.985 45.100 0.239 0.000 0.701 52 G HN 0.407 nan 8.290 nan 0.000 0.623 53 L N 1.150 122.423 121.223 0.084 0.000 2.322 53 L HA 0.423 4.763 4.340 -0.000 0.000 0.269 53 L C -0.123 176.754 176.870 0.013 0.000 1.012 53 L CA -0.588 54.278 54.840 0.043 0.000 0.815 53 L CB 1.550 43.630 42.059 0.035 0.000 1.295 53 L HN 0.786 nan 8.230 nan 0.000 0.438 54 N N 1.802 120.498 118.700 -0.007 0.000 2.705 54 N HA -0.274 4.466 4.740 -0.000 0.000 0.302 54 N C -0.374 175.124 175.510 -0.021 0.000 1.168 54 N CA 1.142 54.177 53.050 -0.026 0.000 0.760 54 N CB -0.705 37.757 38.487 -0.043 0.000 0.986 54 N HN 0.857 nan 8.380 nan 0.000 0.568 55 D N -0.876 119.517 120.400 -0.011 0.000 3.143 55 D HA -0.059 4.581 4.640 -0.000 0.000 0.198 55 D C -2.366 173.937 176.300 0.004 0.000 0.998 55 D CA 0.097 54.094 54.000 -0.004 0.000 0.900 55 D CB -0.958 39.834 40.800 -0.013 0.000 1.042 55 D HN 0.524 nan 8.370 nan 0.000 0.453 56 P HA 0.268 nan 4.420 nan 0.000 0.259 56 P C 0.308 177.620 177.300 0.021 0.000 1.480 56 P CA 0.544 63.660 63.100 0.026 0.000 0.842 56 P CB 0.194 31.928 31.700 0.057 0.000 1.513 57 R N -4.369 116.140 120.500 0.014 0.000 1.573 57 R HA -0.024 4.316 4.340 -0.000 0.000 0.269 57 R C 0.699 177.020 176.300 0.035 0.000 0.416 57 R CA -0.094 56.012 56.100 0.009 0.000 2.025 57 R CB -1.179 29.117 30.300 -0.006 0.000 1.527 57 R HN 0.081 nan 8.270 nan 0.000 0.332 58 L N 1.046 122.298 121.223 0.049 0.000 2.236 58 L HA 0.010 4.349 4.340 -0.000 0.000 0.215 58 L C 1.801 178.724 176.870 0.089 0.000 1.175 58 L CA 0.974 55.867 54.840 0.087 0.000 0.825 58 L CB -0.512 41.546 42.059 -0.001 0.000 1.129 58 L HN 0.268 nan 8.230 nan 0.000 0.612 59 G N -0.865 107.948 108.800 0.022 0.000 2.413 59 G HA2 0.274 4.234 3.960 -0.000 0.000 0.300 59 G HA3 0.274 4.234 3.960 -0.000 0.000 0.300 59 G C 0.133 175.020 174.900 -0.021 0.000 1.370 59 G CA 0.366 45.452 45.100 -0.023 0.000 1.110 59 G HN 0.876 nan 8.290 nan 0.000 0.596 60 S N -2.257 113.421 115.700 -0.036 0.000 2.998 60 S HA 0.763 5.233 4.470 -0.000 0.000 0.321 60 S C -0.022 174.551 174.600 -0.046 0.000 1.171 60 S CA -0.417 57.763 58.200 -0.034 0.000 0.882 60 S CB 1.061 64.248 63.200 -0.022 0.000 1.301 60 S HN 0.593 nan 8.310 nan 0.000 0.629 61 I N -1.178 119.367 120.570 -0.042 0.000 4.462 61 I HA 0.402 4.572 4.170 -0.000 0.000 0.204 61 I C -0.456 175.637 176.117 -0.040 0.000 0.796 61 I CA -0.857 60.415 61.300 -0.048 0.000 1.812 61 I CB -0.123 37.846 38.000 -0.052 0.000 1.113 61 I HN 0.607 nan 8.210 nan 0.000 0.371 62 D N 2.343 122.720 120.400 -0.039 0.000 2.884 62 D HA -0.217 4.423 4.640 -0.000 0.000 0.222 62 D C -0.198 176.085 176.300 -0.029 0.000 1.166 62 D CA 1.105 55.085 54.000 -0.033 0.000 0.652 62 D CB -0.467 40.317 40.800 -0.027 0.000 1.060 62 D HN 0.404 nan 8.370 nan 0.000 0.416 63 R N -0.979 119.502 120.500 -0.031 0.000 3.188 63 R HA -0.197 4.143 4.340 -0.000 0.000 0.247 63 R C -0.731 175.556 176.300 -0.022 0.000 0.918 63 R CA 0.464 56.548 56.100 -0.027 0.000 0.629 63 R CB -1.502 28.783 30.300 -0.024 0.000 1.087 63 R HN 0.198 nan 8.270 nan 0.000 0.462 64 N N 0.923 119.610 118.700 -0.022 0.000 2.461 64 N HA 0.214 4.954 4.740 -0.000 0.000 0.284 64 N C 1.358 176.859 175.510 -0.014 0.000 1.049 64 N CA -0.647 52.393 53.050 -0.017 0.000 0.889 64 N CB 1.313 39.790 38.487 -0.017 0.000 1.365 64 N HN 0.020 nan 8.380 nan 0.000 0.499 65 L N 1.272 122.488 121.223 -0.012 0.000 1.997 65 L HA -0.258 4.081 4.340 -0.000 0.000 0.227 65 L C 0.618 177.486 176.870 -0.003 0.000 1.087 65 L CA 1.484 56.319 54.840 -0.008 0.000 0.797 65 L CB -0.587 41.468 42.059 -0.007 0.000 0.902 65 L HN 0.441 nan 8.230 nan 0.000 0.441 66 K N 0.087 120.484 120.400 -0.004 0.000 2.408 66 K HA -0.221 4.099 4.320 -0.000 0.000 0.253 66 K C -0.104 176.501 176.600 0.008 0.000 1.083 66 K CA 0.612 56.898 56.287 -0.002 0.000 1.172 66 K CB -0.250 32.245 32.500 -0.007 0.000 0.760 66 K HN 0.467 nan 8.250 nan 0.000 0.492 67 C N 3.542 122.852 119.300 0.018 0.000 2.935 67 C HA 0.064 4.524 4.460 -0.000 0.000 0.305 67 C C -0.891 174.112 174.990 0.020 0.000 1.832 67 C CA -0.300 58.749 59.018 0.052 0.000 1.073 67 C CB -1.016 26.782 27.740 0.096 0.000 2.024 67 C HN 1.047 nan 8.230 nan 0.000 0.660 68 Q N 0.748 120.539 119.800 -0.015 0.000 2.441 68 Q HA -0.162 4.178 4.340 -0.000 0.000 0.300 68 Q C 0.899 176.873 176.000 -0.042 0.000 1.419 68 Q CA 0.907 56.681 55.803 -0.049 0.000 0.751 68 Q CB -1.933 26.735 28.738 -0.115 0.000 1.107 68 Q HN 0.844 nan 8.270 nan 0.000 0.385 69 T N -3.224 111.316 114.554 -0.022 0.000 11.377 69 T HA -0.453 3.897 4.350 -0.000 0.000 0.415 69 T C 1.540 176.234 174.700 -0.010 0.000 1.474 69 T CA 1.999 64.088 62.100 -0.017 0.000 2.441 69 T CB -1.827 67.028 68.868 -0.023 0.000 2.870 69 T HN 0.996 nan 8.240 nan 0.000 0.977 70 C N 3.589 122.882 119.300 -0.012 0.000 2.400 70 C HA -0.267 4.193 4.460 -0.000 0.000 0.288 70 C C 2.170 177.171 174.990 0.018 0.000 1.224 70 C CA 2.483 61.505 59.018 0.008 0.000 1.852 70 C CB -2.044 25.718 27.740 0.038 0.000 2.086 70 C HN 0.954 nan 8.230 nan 0.000 0.511 71 Q N -0.839 118.968 119.800 0.013 0.000 2.179 71 Q HA -0.438 3.902 4.340 -0.000 0.000 0.439 71 Q C 0.807 176.814 176.000 0.010 0.000 0.717 71 Q CA 2.138 57.946 55.803 0.008 0.000 0.885 71 Q CB -1.468 27.270 28.738 -0.000 0.000 3.233 71 Q HN 0.543 nan 8.270 nan 0.000 0.899 72 E N -1.309 118.892 120.200 0.002 0.000 4.145 72 E HA -0.278 4.071 4.350 -0.000 0.000 0.296 72 E C 0.916 177.511 176.600 -0.009 0.000 0.666 72 E CA 2.364 58.763 56.400 -0.003 0.000 1.214 72 E CB -2.296 27.405 29.700 0.001 0.000 1.679 72 E HN 1.501 nan 8.360 nan 0.000 0.406 73 G N 1.175 109.972 108.800 -0.006 0.000 3.651 73 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.471 73 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.471 73 G C 1.033 175.918 174.900 -0.025 0.000 1.612 73 G CA 1.824 46.915 45.100 -0.014 0.000 1.273 73 G HN 0.302 nan 8.290 nan 0.000 0.570 74 M N -0.054 119.526 119.600 -0.033 0.000 7.124 74 M HA -0.372 4.108 4.480 -0.000 0.000 0.306 74 M C 1.288 177.562 176.300 -0.044 0.000 0.474 74 M CA 2.488 57.763 55.300 -0.042 0.000 1.276 74 M CB -1.271 31.306 32.600 -0.039 0.000 0.646 74 M HN 0.805 nan 8.290 nan 0.000 0.688 75 N N 1.481 120.158 118.700 -0.038 0.000 2.442 75 N HA 0.183 4.923 4.740 -0.000 0.000 0.265 75 N C 0.066 175.557 175.510 -0.033 0.000 1.138 75 N CA 1.063 54.090 53.050 -0.037 0.000 0.956 75 N CB 1.273 39.740 38.487 -0.033 0.000 1.067 75 N HN 0.532 nan 8.380 nan 0.000 0.474 76 E N 1.699 121.878 120.200 -0.035 0.000 4.465 76 E HA -0.154 4.196 4.350 -0.000 0.000 0.378 76 E C -1.746 174.835 176.600 -0.031 0.000 0.610 76 E CA 0.131 56.514 56.400 -0.029 0.000 1.549 76 E CB -1.752 27.935 29.700 -0.022 0.000 1.872 76 E HN 0.430 nan 8.360 nan 0.000 0.331 77 C N 2.738 122.010 119.300 -0.047 0.000 2.660 77 C HA 0.700 5.160 4.460 -0.000 0.000 0.336 77 C C -2.498 172.412 174.990 -0.133 0.000 1.058 77 C CA -1.150 57.828 59.018 -0.066 0.000 1.368 77 C CB 0.473 28.188 27.740 -0.041 0.000 1.884 77 C HN 0.284 nan 8.230 nan 0.000 0.454 78 P HA 0.279 nan 4.420 nan 0.000 0.276 78 P C 0.713 177.780 177.300 -0.387 0.000 1.243 78 P CA 0.686 63.674 63.100 -0.187 0.000 0.768 78 P CB 0.971 32.604 31.700 -0.113 0.000 0.856 79 G N 3.268 111.857 108.800 -0.352 0.000 2.846 79 G HA2 0.026 3.986 3.960 -0.000 0.000 0.257 79 G HA3 0.026 3.986 3.960 -0.000 0.000 0.257 79 G C -0.223 174.285 174.900 -0.653 0.000 1.253 79 G CA -0.265 44.547 45.100 -0.480 0.000 0.918 79 G HN 0.661 nan 8.290 nan 0.000 0.597 80 H N -1.290 117.701 119.070 -0.132 0.000 2.747 80 H HA 0.366 4.921 4.556 -0.000 0.000 0.371 80 H C -0.955 174.287 175.328 -0.143 0.000 1.161 80 H CA -0.662 55.353 56.048 -0.054 0.000 1.167 80 H CB 1.605 31.357 29.762 -0.017 0.000 1.732 80 H HN 0.281 nan 8.280 nan 0.000 0.544 81 F N 0.587 120.586 119.950 0.081 0.000 2.396 81 F HA 0.398 4.925 4.527 -0.000 0.000 0.343 81 F C 1.245 177.053 175.800 0.014 0.000 1.104 81 F CA 0.178 58.188 58.000 0.016 0.000 1.161 81 F CB 1.240 40.212 39.000 -0.046 0.000 1.146 81 F HN 0.540 nan 8.300 nan 0.000 0.522 82 G N 1.335 110.229 108.800 0.155 0.000 2.489 82 G HA2 0.568 4.527 3.960 -0.000 0.000 0.327 82 G HA3 0.568 4.527 3.960 -0.000 0.000 0.327 82 G C -1.513 173.524 174.900 0.229 0.000 1.189 82 G CA -0.616 44.580 45.100 0.159 0.000 0.962 82 G HN 0.840 nan 8.290 nan 0.000 0.486 83 H N -1.776 117.306 119.070 0.020 0.000 2.824 83 H HA 0.796 5.351 4.556 -0.000 0.000 0.345 83 H C -1.078 174.249 175.328 -0.002 0.000 1.252 83 H CA -1.330 54.716 56.048 -0.003 0.000 1.246 83 H CB 2.642 32.382 29.762 -0.037 0.000 1.908 83 H HN 0.538 nan 8.280 nan 0.000 0.601 84 I N 1.950 122.369 120.570 -0.252 0.000 2.602 84 I HA 0.099 4.268 4.170 -0.000 0.000 0.274 84 I C -1.368 174.624 176.117 -0.208 0.000 1.191 84 I CA -0.613 60.512 61.300 -0.291 0.000 1.068 84 I CB 1.033 38.958 38.000 -0.125 0.000 1.274 84 I HN 0.690 nan 8.210 nan 0.000 0.485 85 D N 8.011 128.251 120.400 -0.267 0.000 2.502 85 D HA 0.130 4.769 4.640 -0.000 0.000 0.249 85 D C 0.180 176.444 176.300 -0.061 0.000 1.188 85 D CA 0.578 54.512 54.000 -0.109 0.000 0.890 85 D CB 1.160 41.910 40.800 -0.084 0.000 1.140 85 D HN 0.460 nan 8.370 nan 0.000 0.505 86 L N 1.565 122.777 121.223 -0.018 0.000 2.436 86 L HA 0.188 4.527 4.340 -0.000 0.000 0.265 86 L C 1.694 178.570 176.870 0.011 0.000 1.168 86 L CA -0.617 54.224 54.840 0.003 0.000 0.815 86 L CB 0.878 42.953 42.059 0.026 0.000 1.109 86 L HN 0.393 nan 8.230 nan 0.000 0.462 87 A N 2.650 125.478 122.820 0.014 0.000 1.897 87 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 87 A C 0.842 178.441 177.584 0.026 0.000 1.181 87 A CA 1.140 53.188 52.037 0.018 0.000 0.620 87 A CB 0.069 19.077 19.000 0.013 0.000 0.821 87 A HN 0.708 nan 8.150 nan 0.000 0.443 88 K N 0.148 120.567 120.400 0.033 0.000 2.541 88 K HA 0.365 4.685 4.320 -0.000 0.000 0.250 88 K C -2.952 173.684 176.600 0.059 0.000 0.950 88 K CA -2.322 53.991 56.287 0.043 0.000 0.805 88 K CB 2.146 34.668 32.500 0.037 0.000 1.166 88 K HN 0.010 nan 8.250 nan 0.000 0.430 89 P HA -0.145 nan 4.420 nan 0.000 0.270 89 P C -0.587 176.788 177.300 0.124 0.000 1.181 89 P CA 0.050 63.204 63.100 0.090 0.000 0.767 89 P CB 0.524 32.275 31.700 0.086 0.000 0.799 90 V N 1.579 121.585 119.914 0.154 0.000 3.167 90 V HA 0.415 4.535 4.120 -0.000 0.000 0.310 90 V C 0.003 176.311 176.094 0.356 0.000 1.207 90 V CA -0.579 61.857 62.300 0.226 0.000 1.059 90 V CB 1.702 33.618 31.823 0.154 0.000 1.079 90 V HN 0.282 nan 8.190 nan 0.000 0.446 91 F N 0.616 120.594 119.950 0.047 0.000 2.370 91 F HA 0.411 4.937 4.527 -0.000 0.000 0.324 91 F C 0.615 176.476 175.800 0.102 0.000 1.116 91 F CA -0.619 57.420 58.000 0.065 0.000 1.123 91 F CB 0.470 39.504 39.000 0.057 0.000 1.238 91 F HN 0.537 nan 8.300 nan 0.000 0.536 92 H N 2.092 121.195 119.070 0.054 0.000 2.628 92 H HA 0.350 4.906 4.556 -0.000 0.000 0.250 92 H C 0.823 176.082 175.328 -0.115 0.000 1.442 92 H CA -0.545 55.455 56.048 -0.080 0.000 1.282 92 H CB 0.336 29.952 29.762 -0.245 0.000 1.487 92 H HN 0.522 nan 8.280 nan 0.000 0.544 93 V N 2.984 122.976 119.914 0.129 0.000 2.408 93 V HA -0.469 3.651 4.120 -0.000 0.000 0.236 93 V C 2.402 178.384 176.094 -0.186 0.000 1.064 93 V CA 2.364 64.666 62.300 0.003 0.000 1.095 93 V CB -1.507 30.316 31.823 -0.000 0.000 0.921 93 V HN 0.830 nan 8.190 nan 0.000 0.474 94 G N -1.737 106.710 108.800 -0.588 0.000 2.403 94 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.216 94 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.216 94 G C 1.342 176.059 174.900 -0.305 0.000 1.154 94 G CA 0.821 45.483 45.100 -0.731 0.000 0.784 94 G HN 0.590 nan 8.290 nan 0.000 0.538 95 F N 0.337 119.905 119.950 -0.637 0.000 2.780 95 F HA 0.216 4.743 4.527 -0.000 0.000 0.299 95 F C 2.338 178.025 175.800 -0.188 0.000 1.146 95 F CA -0.599 57.195 58.000 -0.342 0.000 1.428 95 F CB 0.015 38.867 39.000 -0.246 0.000 1.115 95 F HN 0.072 nan 8.300 nan 0.000 0.583 96 I N 0.544 121.146 120.570 0.052 0.000 2.145 96 I HA -0.418 3.752 4.170 -0.000 0.000 0.244 96 I C 2.761 178.911 176.117 0.055 0.000 1.075 96 I CA 1.251 62.610 61.300 0.098 0.000 1.332 96 I CB -0.636 37.487 38.000 0.204 0.000 1.033 96 I HN 0.153 nan 8.210 nan 0.000 0.410 97 A N 0.947 123.774 122.820 0.013 0.000 1.859 97 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 97 A C 2.335 179.888 177.584 -0.051 0.000 1.242 97 A CA 2.417 54.436 52.037 -0.030 0.000 0.661 97 A CB -0.824 18.135 19.000 -0.070 0.000 0.842 97 A HN 0.345 nan 8.150 nan 0.000 0.455 98 K N -0.732 119.612 120.400 -0.093 0.000 2.026 98 K HA -0.097 4.223 4.320 -0.000 0.000 0.208 98 K C 1.938 178.574 176.600 0.061 0.000 1.048 98 K CA 1.572 57.820 56.287 -0.065 0.000 0.929 98 K CB -0.493 31.890 32.500 -0.195 0.000 0.713 98 K HN 0.632 nan 8.250 nan 0.000 0.439 99 I N 1.504 122.106 120.570 0.054 0.000 2.185 99 I HA -0.379 3.791 4.170 -0.000 0.000 0.246 99 I C 2.623 178.865 176.117 0.209 0.000 1.088 99 I CA 1.387 62.763 61.300 0.127 0.000 1.347 99 I CB -0.508 37.342 38.000 -0.251 0.000 1.041 99 I HN 0.240 nan 8.210 nan 0.000 0.415 100 K N 1.971 122.448 120.400 0.129 0.000 1.969 100 K HA -0.203 4.117 4.320 -0.000 0.000 0.220 100 K C 2.070 178.754 176.600 0.140 0.000 1.040 100 K CA 1.610 57.989 56.287 0.153 0.000 0.981 100 K CB -0.243 32.331 32.500 0.122 0.000 0.746 100 K HN 0.139 nan 8.250 nan 0.000 0.444 101 K N 0.328 120.756 120.400 0.047 0.000 2.117 101 K HA -0.235 4.085 4.320 -0.000 0.000 0.215 101 K C 2.091 178.750 176.600 0.099 0.000 1.053 101 K CA 2.218 58.479 56.287 -0.043 0.000 0.935 101 K CB -0.503 31.729 32.500 -0.448 0.000 0.719 101 K HN 0.088 nan 8.250 nan 0.000 0.460 102 V N 1.065 121.068 119.914 0.149 0.000 2.252 102 V HA -0.381 3.739 4.120 -0.000 0.000 0.249 102 V C 2.581 178.696 176.094 0.035 0.000 1.056 102 V CA 1.979 64.346 62.300 0.111 0.000 1.022 102 V CB -0.667 31.163 31.823 0.011 0.000 0.641 102 V HN 0.483 nan 8.190 nan 0.000 0.445 103 C N 0.041 119.402 119.300 0.102 0.000 2.376 103 C HA -0.220 4.240 4.460 -0.000 0.000 0.275 103 C C 2.710 177.757 174.990 0.096 0.000 1.200 103 C CA 1.501 60.583 59.018 0.108 0.000 1.756 103 C CB -1.241 26.615 27.740 0.194 0.000 2.050 103 C HN 0.641 nan 8.230 nan 0.000 0.460 104 E N -1.078 119.210 120.200 0.148 0.000 2.273 104 E HA -0.253 4.097 4.350 -0.000 0.000 0.198 104 E C 1.798 178.471 176.600 0.121 0.000 1.002 104 E CA 1.395 57.890 56.400 0.159 0.000 0.828 104 E CB -0.221 29.675 29.700 0.327 0.000 0.747 104 E HN 0.699 nan 8.360 nan 0.000 0.491 105 C N 0.582 119.956 119.300 0.123 0.000 2.697 105 C HA 0.194 4.654 4.460 -0.000 0.000 0.267 105 C C 0.510 175.507 174.990 0.012 0.000 1.278 105 C CA -0.362 58.694 59.018 0.064 0.000 1.708 105 C CB -0.159 27.616 27.740 0.059 0.000 1.860 105 C HN -0.005 nan 8.230 nan 0.000 0.589 106 V N 0.287 120.203 119.914 0.003 0.000 2.891 106 V HA 0.296 4.415 4.120 -0.000 0.000 0.304 106 V C -0.134 175.972 176.094 0.020 0.000 1.171 106 V CA -0.981 61.312 62.300 -0.012 0.000 0.943 106 V CB 1.265 33.047 31.823 -0.069 0.000 1.037 106 V HN 0.427 nan 8.190 nan 0.000 0.427 107 C N 5.798 125.122 119.300 0.040 0.000 2.539 107 C HA 0.692 5.151 4.460 -0.000 0.000 0.392 107 C C 0.763 175.806 174.990 0.087 0.000 1.269 107 C CA -0.751 58.318 59.018 0.085 0.000 2.250 107 C CB 0.102 27.907 27.740 0.107 0.000 2.584 107 C HN 0.786 nan 8.230 nan 0.000 0.589 108 M N 2.788 122.445 119.600 0.095 0.000 1.801 108 M HA 0.277 4.757 4.480 -0.000 0.000 0.211 108 M C 1.566 177.871 176.300 0.008 0.000 1.304 108 M CA 0.464 55.755 55.300 -0.016 0.000 0.912 108 M CB -0.993 31.518 32.600 -0.148 0.000 1.257 108 M HN 1.010 nan 8.290 nan 0.000 0.458 109 H N -0.922 118.188 119.070 0.066 0.000 4.823 109 H HA -0.221 4.335 4.556 -0.000 0.000 0.064 109 H C 1.560 176.862 175.328 -0.043 0.000 0.599 109 H CA 2.373 58.431 56.048 0.016 0.000 0.956 109 H CB -1.565 28.208 29.762 0.018 0.000 0.432 109 H HN 0.871 nan 8.280 nan 0.000 0.798 110 C N 2.338 121.696 119.300 0.098 0.000 3.019 110 C HA 0.652 5.112 4.460 -0.000 0.000 0.295 110 C C 1.460 176.441 174.990 -0.015 0.000 1.256 110 C CA 1.123 60.136 59.018 -0.009 0.000 1.706 110 C CB -0.171 27.573 27.740 0.007 0.000 2.153 110 C HN 1.268 nan 8.230 nan 0.000 0.618 111 G N 2.057 110.872 108.800 0.025 0.000 2.345 111 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.205 111 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.205 111 G C -0.586 174.311 174.900 -0.005 0.000 0.534 111 G CA 0.975 46.086 45.100 0.019 0.000 0.968 111 G HN 1.122 nan 8.290 nan 0.000 0.330 112 K N 1.720 122.114 120.400 -0.009 0.000 2.579 112 K HA 0.573 4.893 4.320 -0.000 0.000 0.284 112 K C 0.620 177.210 176.600 -0.016 0.000 0.990 112 K CA -1.288 54.987 56.287 -0.021 0.000 0.880 112 K CB 1.129 33.623 32.500 -0.010 0.000 1.488 112 K HN 0.321 nan 8.250 nan 0.000 0.425 113 L N 2.126 123.338 121.223 -0.019 0.000 2.453 113 L HA -0.004 4.336 4.340 -0.000 0.000 0.274 113 L C 0.765 177.635 176.870 -0.001 0.000 1.270 113 L CA 0.357 55.190 54.840 -0.010 0.000 0.822 113 L CB 0.151 42.204 42.059 -0.010 0.000 1.091 113 L HN 0.596 nan 8.230 nan 0.000 0.546 114 L N 2.053 123.274 121.223 -0.002 0.000 2.959 114 L HA 0.351 4.691 4.340 -0.000 0.000 0.259 114 L C -0.607 176.263 176.870 0.000 0.000 1.185 114 L CA 0.039 54.880 54.840 0.001 0.000 0.998 114 L CB 0.142 42.197 42.059 -0.006 0.000 1.337 114 L HN 0.370 nan 8.230 nan 0.000 0.555 115 L N 0.045 121.268 121.223 0.000 0.000 2.666 115 L HA 0.334 4.674 4.340 -0.000 0.000 0.258 115 L C -0.907 175.959 176.870 -0.007 0.000 0.991 115 L CA -0.364 54.477 54.840 0.002 0.000 0.916 115 L CB 1.932 43.983 42.059 -0.013 0.000 1.199 115 L HN -0.036 nan 8.230 nan 0.000 0.439 116 D N 1.156 121.558 120.400 0.002 0.000 2.398 116 D HA 0.080 4.720 4.640 -0.000 0.000 0.264 116 D C 0.830 177.045 176.300 -0.142 0.000 1.263 116 D CA -0.211 53.742 54.000 -0.077 0.000 1.037 116 D CB 1.040 41.780 40.800 -0.099 0.000 1.101 116 D HN 0.477 nan 8.370 nan 0.000 0.551 117 E N -0.357 119.671 120.200 -0.287 0.000 2.267 117 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 117 E C 1.716 178.202 176.600 -0.189 0.000 0.998 117 E CA 1.050 57.309 56.400 -0.236 0.000 0.830 117 E CB -0.148 29.393 29.700 -0.265 0.000 0.751 117 E HN 0.364 nan 8.360 nan 0.000 0.491 118 H N 0.618 119.684 119.070 -0.006 0.000 2.253 118 H HA -0.081 4.474 4.556 -0.000 0.000 0.296 118 H C 1.100 176.423 175.328 -0.009 0.000 1.074 118 H CA 1.105 57.149 56.048 -0.007 0.000 1.263 118 H CB -0.854 28.903 29.762 -0.008 0.000 1.363 118 H HN 0.138 nan 8.280 nan 0.000 0.489 119 N N 2.036 120.801 118.700 0.109 0.000 2.440 119 N HA -0.108 4.632 4.740 -0.000 0.000 0.265 119 N C 1.225 176.748 175.510 0.021 0.000 1.239 119 N CA 0.281 53.360 53.050 0.049 0.000 0.909 119 N CB 1.004 39.506 38.487 0.026 0.000 1.066 119 N HN 0.463 nan 8.380 nan 0.000 0.474 120 E N 4.139 124.350 120.200 0.017 0.000 2.051 120 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 120 E C 1.644 178.243 176.600 -0.002 0.000 0.991 120 E CA 0.887 57.291 56.400 0.007 0.000 0.799 120 E CB 0.020 29.724 29.700 0.008 0.000 0.748 120 E HN 0.697 nan 8.360 nan 0.000 0.449 121 L N 0.320 121.540 121.223 -0.006 0.000 2.197 121 L HA -0.251 4.089 4.340 -0.000 0.000 0.215 121 L C 2.639 179.501 176.870 -0.013 0.000 1.095 121 L CA 0.923 55.756 54.840 -0.012 0.000 0.764 121 L CB -0.411 41.637 42.059 -0.019 0.000 0.897 121 L HN 0.364 nan 8.230 nan 0.000 0.436 122 M N 0.105 119.697 119.600 -0.013 0.000 2.091 122 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 122 M C 2.304 178.597 176.300 -0.012 0.000 1.076 122 M CA 1.819 57.110 55.300 -0.015 0.000 1.111 122 M CB -0.376 32.213 32.600 -0.018 0.000 1.291 122 M HN -0.024 nan 8.290 nan 0.000 0.417 123 R N -0.259 120.232 120.500 -0.014 0.000 2.196 123 R HA -0.299 4.041 4.340 -0.000 0.000 0.244 123 R C 2.135 178.433 176.300 -0.004 0.000 1.121 123 R CA 2.461 58.553 56.100 -0.013 0.000 0.930 123 R CB -1.227 29.066 30.300 -0.012 0.000 0.890 123 R HN 0.606 nan 8.270 nan 0.000 0.435 124 Q N -0.547 119.251 119.800 -0.002 0.000 2.404 124 Q HA -0.214 4.126 4.340 -0.000 0.000 0.214 124 Q C 1.925 177.929 176.000 0.007 0.000 0.992 124 Q CA 1.553 57.358 55.803 0.003 0.000 0.899 124 Q CB -0.088 28.651 28.738 0.001 0.000 0.921 124 Q HN 0.503 nan 8.270 nan 0.000 0.453 125 A N 0.335 123.159 122.820 0.006 0.000 1.887 125 A HA 0.032 4.352 4.320 -0.000 0.000 0.210 125 A C 1.828 179.424 177.584 0.021 0.000 1.221 125 A CA 0.022 52.067 52.037 0.014 0.000 0.635 125 A CB -0.419 18.586 19.000 0.009 0.000 0.881 125 A HN 0.267 nan 8.150 nan 0.000 0.456 126 L N -0.088 121.144 121.223 0.014 0.000 2.661 126 L HA -0.196 4.144 4.340 -0.000 0.000 0.236 126 L C 2.320 179.201 176.870 0.018 0.000 1.176 126 L CA 0.676 55.526 54.840 0.018 0.000 0.836 126 L CB -0.442 41.619 42.059 0.003 0.000 0.960 126 L HN 0.525 nan 8.230 nan 0.000 0.455 127 A N -0.506 122.324 122.820 0.017 0.000 2.055 127 A HA 0.244 4.564 4.320 -0.000 0.000 0.205 127 A C 1.100 178.697 177.584 0.022 0.000 1.235 127 A CA -0.344 51.703 52.037 0.017 0.000 0.822 127 A CB 0.172 19.179 19.000 0.012 0.000 0.903 127 A HN 0.215 nan 8.150 nan 0.000 0.473 128 I N 2.293 122.878 120.570 0.026 0.000 2.872 128 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 128 I C -0.314 175.822 176.117 0.032 0.000 1.197 128 I CA 0.532 61.849 61.300 0.030 0.000 1.390 128 I CB 0.077 38.097 38.000 0.035 0.000 1.400 128 I HN 0.197 nan 8.210 nan 0.000 0.544 129 K N 6.801 127.217 120.400 0.027 0.000 2.284 129 K HA 0.227 4.547 4.320 -0.000 0.000 0.287 129 K C -0.294 176.321 176.600 0.025 0.000 1.081 129 K CA -0.178 56.124 56.287 0.025 0.000 0.910 129 K CB 0.537 33.050 32.500 0.021 0.000 1.088 129 K HN 0.531 nan 8.250 nan 0.000 0.478 130 D N 2.223 122.638 120.400 0.025 0.000 3.396 130 D HA -0.096 4.544 4.640 -0.000 0.000 0.127 130 D C 0.468 176.780 176.300 0.020 0.000 0.908 130 D CA 0.053 54.064 54.000 0.019 0.000 1.954 130 D CB -0.366 40.448 40.800 0.024 0.000 0.697 130 D HN 0.423 nan 8.370 nan 0.000 0.886 131 S N 1.159 116.862 115.700 0.004 0.000 2.478 131 S HA -0.256 4.214 4.470 -0.000 0.000 0.256 131 S C 1.605 176.188 174.600 -0.027 0.000 1.003 131 S CA 1.021 59.214 58.200 -0.011 0.000 0.976 131 S CB 0.022 63.181 63.200 -0.069 0.000 0.751 131 S HN 0.483 nan 8.310 nan 0.000 0.513 132 K N 0.762 121.148 120.400 -0.022 0.000 2.186 132 K HA 0.118 4.438 4.320 -0.000 0.000 0.202 132 K C 1.985 178.623 176.600 0.063 0.000 1.052 132 K CA 0.876 57.149 56.287 -0.023 0.000 0.965 132 K CB 0.042 32.521 32.500 -0.035 0.000 0.746 132 K HN 0.426 nan 8.250 nan 0.000 0.457 133 K N -0.510 119.936 120.400 0.078 0.000 2.399 133 K HA 0.083 4.403 4.320 -0.000 0.000 0.196 133 K C 1.656 178.327 176.600 0.118 0.000 1.117 133 K CA -0.134 56.211 56.287 0.097 0.000 0.965 133 K CB 0.334 32.872 32.500 0.064 0.000 0.983 133 K HN -0.081 nan 8.250 nan 0.000 0.531 134 R N 0.576 121.144 120.500 0.114 0.000 2.377 134 R HA -0.093 4.247 4.340 -0.000 0.000 0.207 134 R C 0.973 177.378 176.300 0.175 0.000 1.075 134 R CA 0.892 57.060 56.100 0.113 0.000 1.035 134 R CB -0.007 30.351 30.300 0.096 0.000 0.857 134 R HN 0.163 nan 8.270 nan 0.000 0.475 135 F N -0.318 119.651 119.950 0.031 0.000 2.482 135 F HA 0.306 4.833 4.527 -0.000 0.000 0.278 135 F C 1.866 177.728 175.800 0.103 0.000 0.969 135 F CA 0.679 58.707 58.000 0.046 0.000 1.223 135 F CB -0.423 38.568 39.000 -0.015 0.000 1.140 135 F HN -0.022 nan 8.300 nan 0.000 0.672 136 A N 0.215 123.151 122.820 0.194 0.000 2.277 136 A HA 0.238 4.558 4.320 -0.000 0.000 0.208 136 A C 1.706 179.379 177.584 0.148 0.000 1.202 136 A CA 1.330 53.464 52.037 0.161 0.000 0.762 136 A CB -1.401 17.705 19.000 0.178 0.000 0.770 136 A HN 0.492 nan 8.150 nan 0.000 0.487 137 A N -0.146 122.718 122.820 0.073 0.000 2.010 137 A HA 0.278 4.598 4.320 -0.000 0.000 0.210 137 A C 1.773 179.354 177.584 -0.006 0.000 1.479 137 A CA 0.636 52.697 52.037 0.040 0.000 0.748 137 A CB -0.444 18.580 19.000 0.041 0.000 1.125 137 A HN 0.324 nan 8.150 nan 0.000 0.522 138 I N -1.363 119.190 120.570 -0.028 0.000 2.300 138 I HA -0.320 3.850 4.170 -0.000 0.000 0.252 138 I C 2.381 178.450 176.117 -0.080 0.000 1.119 138 I CA 1.879 63.145 61.300 -0.058 0.000 1.384 138 I CB -0.263 37.703 38.000 -0.057 0.000 1.062 138 I HN 0.737 nan 8.210 nan 0.000 0.426 139 W N 1.898 122.992 121.300 -0.344 0.000 2.378 139 W HA -0.178 4.482 4.660 -0.000 0.000 0.313 139 W C 2.603 179.016 176.519 -0.177 0.000 1.197 139 W CA 1.976 59.128 57.345 -0.322 0.000 1.304 139 W CB -0.763 28.433 29.460 -0.440 0.000 1.148 139 W HN -0.053 nan 8.180 nan 0.000 0.494 140 T N 1.709 116.139 114.554 -0.206 0.000 2.869 140 T HA -0.210 4.140 4.350 -0.000 0.000 0.270 140 T C 1.713 176.224 174.700 -0.315 0.000 1.082 140 T CA 1.665 63.544 62.100 -0.368 0.000 1.123 140 T CB -0.395 68.391 68.868 -0.135 0.000 0.856 140 T HN 0.195 nan 8.240 nan 0.000 0.499 141 L N -0.636 120.458 121.223 -0.216 0.000 2.529 141 L HA 0.171 4.510 4.340 -0.000 0.000 0.223 141 L C 1.696 178.464 176.870 -0.169 0.000 1.113 141 L CA 0.281 55.025 54.840 -0.160 0.000 0.861 141 L CB 0.030 42.033 42.059 -0.094 0.000 1.012 141 L HN 0.347 nan 8.230 nan 0.000 0.461 142 C N -0.741 118.427 119.300 -0.219 0.000 3.403 142 C HA 0.026 4.486 4.460 -0.000 0.000 0.317 142 C C 2.410 177.267 174.990 -0.221 0.000 1.346 142 C CA -0.447 58.470 59.018 -0.169 0.000 1.743 142 C CB -0.028 27.656 27.740 -0.092 0.000 2.308 142 C HN 0.486 nan 8.230 nan 0.000 0.675 143 K N 1.391 121.536 120.400 -0.425 0.000 2.360 143 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 143 K C 1.254 177.701 176.600 -0.256 0.000 1.046 143 K CA 1.902 57.940 56.287 -0.416 0.000 0.945 143 K CB -0.444 31.569 32.500 -0.811 0.000 0.750 143 K HN 0.382 nan 8.250 nan 0.000 0.464 144 T N 0.608 115.022 114.554 -0.233 0.000 2.866 144 T HA 0.035 4.385 4.350 -0.000 0.000 0.250 144 T C 0.344 174.979 174.700 -0.108 0.000 1.033 144 T CA 0.235 62.240 62.100 -0.158 0.000 1.145 144 T CB 0.079 68.858 68.868 -0.149 0.000 0.866 144 T HN 0.041 nan 8.240 nan 0.000 0.434 145 K N 2.147 122.490 120.400 -0.096 0.000 2.453 145 K HA 0.135 4.455 4.320 -0.000 0.000 0.280 145 K C -0.054 176.515 176.600 -0.051 0.000 1.045 145 K CA 0.609 56.860 56.287 -0.060 0.000 1.059 145 K CB 0.109 32.581 32.500 -0.047 0.000 0.901 145 K HN 0.409 nan 8.250 nan 0.000 0.475 146 M N 2.554 122.131 119.600 -0.037 0.000 3.002 146 M HA 0.160 4.639 4.480 -0.000 0.000 0.398 146 M C -1.057 175.243 176.300 0.001 0.000 1.366 146 M CA -0.294 54.988 55.300 -0.031 0.000 0.824 146 M CB 0.887 33.455 32.600 -0.053 0.000 1.414 146 M HN 0.006 nan 8.290 nan 0.000 0.501 147 V N 0.027 119.949 119.914 0.012 0.000 2.775 147 V HA 0.081 4.201 4.120 -0.000 0.000 0.295 147 V C -0.659 175.453 176.094 0.029 0.000 1.226 147 V CA -1.241 61.078 62.300 0.031 0.000 0.934 147 V CB 2.190 34.025 31.823 0.020 0.000 1.056 147 V HN 0.486 nan 8.190 nan 0.000 0.436 148 C N 5.729 125.056 119.300 0.045 0.000 2.773 148 C HA 0.244 4.704 4.460 -0.000 0.000 0.442 148 C C 1.001 176.005 174.990 0.024 0.000 1.028 148 C CA -0.361 58.680 59.018 0.038 0.000 1.164 148 C CB -1.916 25.857 27.740 0.055 0.000 1.593 148 C HN 0.890 nan 8.230 nan 0.000 0.557 149 E N 2.881 123.091 120.200 0.016 0.000 2.653 149 E HA -0.072 4.278 4.350 -0.000 0.000 0.264 149 E C 1.060 177.663 176.600 0.005 0.000 0.949 149 E CA 0.549 56.953 56.400 0.007 0.000 0.953 149 E CB 0.665 30.367 29.700 0.004 0.000 0.925 149 E HN 0.680 nan 8.360 nan 0.000 0.475 150 T N 1.987 116.539 114.554 -0.003 0.000 3.031 150 T HA 0.004 4.354 4.350 -0.000 0.000 0.254 150 T C -0.135 174.553 174.700 -0.019 0.000 1.060 150 T CA 0.472 62.567 62.100 -0.008 0.000 1.135 150 T CB 0.289 69.150 68.868 -0.011 0.000 0.896 150 T HN 0.430 nan 8.240 nan 0.000 0.472 151 D N 0.340 120.724 120.400 -0.026 0.000 2.837 151 D HA 0.538 5.177 4.640 -0.000 0.000 0.220 151 D C -1.315 174.954 176.300 -0.051 0.000 1.236 151 D CA -0.290 53.682 54.000 -0.047 0.000 0.838 151 D CB 2.950 43.724 40.800 -0.043 0.000 1.647 151 D HN -0.056 nan 8.370 nan 0.000 0.486 152 V N 1.367 121.231 119.914 -0.084 0.000 3.007 152 V HA 0.430 4.550 4.120 -0.000 0.000 0.311 152 V C -2.389 173.646 176.094 -0.098 0.000 1.120 152 V CA -1.686 60.570 62.300 -0.074 0.000 0.980 152 V CB 2.607 34.398 31.823 -0.054 0.000 1.033 152 V HN 0.413 nan 8.190 nan 0.000 0.429 153 P HA 0.112 nan 4.420 nan 0.000 0.267 153 P C 0.217 177.477 177.300 -0.066 0.000 1.209 153 P CA 0.291 63.358 63.100 -0.056 0.000 0.763 153 P CB 0.808 32.490 31.700 -0.031 0.000 0.816 154 S N 3.368 119.022 115.700 -0.077 0.000 2.463 154 S HA 0.003 4.473 4.470 -0.000 0.000 0.241 154 S C 1.064 175.662 174.600 -0.004 0.000 1.299 154 S CA -0.181 57.983 58.200 -0.060 0.000 0.979 154 S CB -0.338 62.826 63.200 -0.059 0.000 0.950 154 S HN 0.490 nan 8.310 nan 0.000 0.516 155 E N 1.002 121.212 120.200 0.016 0.000 2.489 155 E HA 0.118 4.468 4.350 -0.000 0.000 0.193 155 E C -0.021 176.585 176.600 0.009 0.000 1.057 155 E CA 0.126 56.539 56.400 0.022 0.000 0.866 155 E CB -0.040 29.680 29.700 0.033 0.000 0.916 155 E HN 0.456 nan 8.360 nan 0.000 0.500 156 D N 0.723 121.124 120.400 0.001 0.000 3.161 156 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 156 D C 0.104 176.400 176.300 -0.006 0.000 1.180 156 D CA -0.325 53.674 54.000 -0.002 0.000 1.207 156 D CB -0.089 40.708 40.800 -0.005 0.000 1.008 156 D HN -0.109 nan 8.370 nan 0.000 0.316 157 D N 1.886 122.281 120.400 -0.009 0.000 2.351 157 D HA 0.117 4.757 4.640 -0.000 0.000 0.251 157 D C -1.505 174.787 176.300 -0.013 0.000 1.137 157 D CA -1.054 52.940 54.000 -0.010 0.000 0.879 157 D CB 1.580 42.374 40.800 -0.010 0.000 1.181 157 D HN 0.080 nan 8.370 nan 0.000 0.448 158 P HA -0.008 nan 4.420 nan 0.000 0.253 158 P C 0.735 178.025 177.300 -0.015 0.000 1.281 158 P CA 0.352 63.443 63.100 -0.014 0.000 0.792 158 P CB 0.397 32.090 31.700 -0.011 0.000 1.193 159 T N -1.347 113.198 114.554 -0.015 0.000 3.039 159 T HA 0.055 4.405 4.350 -0.000 0.000 0.250 159 T C 0.894 175.584 174.700 -0.017 0.000 1.052 159 T CA 0.471 62.562 62.100 -0.014 0.000 1.125 159 T CB 0.033 68.894 68.868 -0.011 0.000 0.908 159 T HN 0.252 nan 8.240 nan 0.000 0.473 160 Q N 1.299 121.088 119.800 -0.020 0.000 2.274 160 Q HA 0.526 4.866 4.340 -0.000 0.000 0.256 160 Q C -1.065 174.916 176.000 -0.033 0.000 0.927 160 Q CA -0.173 55.616 55.803 -0.024 0.000 0.939 160 Q CB 1.371 30.096 28.738 -0.022 0.000 1.201 160 Q HN 0.362 nan 8.270 nan 0.000 0.426 161 L N 2.606 123.807 121.223 -0.036 0.000 2.307 161 L HA 0.576 4.916 4.340 -0.000 0.000 0.284 161 L C -0.485 176.350 176.870 -0.059 0.000 1.023 161 L CA -1.013 53.798 54.840 -0.048 0.000 0.810 161 L CB 1.412 43.447 42.059 -0.040 0.000 1.231 161 L HN 0.300 nan 8.230 nan 0.000 0.423 162 V N 1.130 120.990 119.914 -0.090 0.000 2.630 162 V HA 0.504 4.624 4.120 -0.000 0.000 0.305 162 V C 0.204 176.231 176.094 -0.112 0.000 1.046 162 V CA -0.579 61.658 62.300 -0.105 0.000 0.934 162 V CB 1.959 33.691 31.823 -0.151 0.000 1.003 162 V HN 0.914 nan 8.190 nan 0.000 0.451 163 S N 4.116 119.769 115.700 -0.078 0.000 2.608 163 S HA 0.780 5.250 4.470 -0.000 0.000 0.291 163 S C -0.059 174.518 174.600 -0.039 0.000 1.146 163 S CA -0.797 57.370 58.200 -0.055 0.000 1.043 163 S CB 2.370 65.551 63.200 -0.032 0.000 1.037 163 S HN 0.896 nan 8.310 nan 0.000 0.520 164 R N 1.648 122.140 120.500 -0.013 0.000 2.444 164 R HA 0.645 4.985 4.340 -0.000 0.000 0.111 164 R C 0.585 176.897 176.300 0.019 0.000 1.456 164 R CA -0.412 55.704 56.100 0.028 0.000 1.242 164 R CB -0.442 29.902 30.300 0.073 0.000 1.059 164 R HN 0.672 nan 8.270 nan 0.000 0.422 165 G N 0.352 109.165 108.800 0.021 0.000 2.367 165 G HA2 0.516 4.476 3.960 -0.000 0.000 0.314 165 G HA3 0.516 4.476 3.960 -0.000 0.000 0.314 165 G C -0.252 174.651 174.900 0.005 0.000 1.130 165 G CA -0.340 44.767 45.100 0.011 0.000 0.864 165 G HN 0.551 nan 8.290 nan 0.000 0.486 166 G N -1.045 107.754 108.800 -0.001 0.000 2.535 166 G HA2 0.526 4.485 3.960 -0.000 0.000 0.282 166 G HA3 0.526 4.485 3.960 -0.000 0.000 0.282 166 G C 0.668 175.565 174.900 -0.005 0.000 1.350 166 G CA 0.347 45.444 45.100 -0.006 0.000 1.039 166 G HN 2.320 nan 8.290 nan 0.000 0.509 167 C N -2.157 117.135 119.300 -0.014 0.000 1.470 167 C HA 0.049 4.509 4.460 -0.000 0.000 0.220 167 C C 1.199 176.185 174.990 -0.007 0.000 0.693 167 C CA -0.587 58.416 59.018 -0.024 0.000 3.299 167 C CB -1.406 26.315 27.740 -0.032 0.000 1.904 167 C HN 1.865 nan 8.230 nan 0.000 0.274 168 G N 4.154 112.947 108.800 -0.011 0.000 3.126 168 G HA2 0.197 4.157 3.960 -0.000 0.000 0.224 168 G HA3 0.197 4.157 3.960 -0.000 0.000 0.224 168 G C 0.409 175.325 174.900 0.025 0.000 1.142 168 G CA 0.127 45.233 45.100 0.010 0.000 0.759 168 G HN 1.087 nan 8.290 nan 0.000 0.550 169 N N 2.583 121.281 118.700 -0.005 0.000 1.923 169 N HA -0.085 4.655 4.740 -0.000 0.000 0.305 169 N C 0.503 176.092 175.510 0.132 0.000 1.339 169 N CA 0.899 53.953 53.050 0.007 0.000 0.825 169 N CB 0.321 38.715 38.487 -0.156 0.000 1.095 169 N HN 0.117 nan 8.380 nan 0.000 0.498 170 T N 2.761 117.413 114.554 0.164 0.000 2.923 170 T HA -0.093 4.257 4.350 -0.000 0.000 0.320 170 T C 0.794 175.661 174.700 0.278 0.000 1.074 170 T CA 0.228 62.449 62.100 0.201 0.000 1.131 170 T CB 0.550 69.560 68.868 0.237 0.000 1.058 170 T HN 0.333 nan 8.240 nan 0.000 0.535 171 Q N 3.248 123.129 119.800 0.134 0.000 2.230 171 Q HA 0.351 4.691 4.340 -0.000 0.000 0.253 171 Q C -2.183 173.728 176.000 -0.149 0.000 0.919 171 Q CA -1.974 53.873 55.803 0.074 0.000 0.908 171 Q CB 1.184 29.941 28.738 0.032 0.000 1.245 171 Q HN 0.452 nan 8.270 nan 0.000 0.437 172 P HA 0.135 nan 4.420 nan 0.000 0.290 172 P C -0.780 176.285 177.300 -0.393 0.000 1.275 172 P CA -0.401 62.237 63.100 -0.769 0.000 0.841 172 P CB 1.297 32.045 31.700 -1.586 0.000 1.042 173 T N 2.878 117.235 114.554 -0.328 0.000 2.868 173 T HA 0.437 4.787 4.350 -0.000 0.000 0.292 173 T C 0.561 175.162 174.700 -0.165 0.000 1.028 173 T CA 0.040 62.034 62.100 -0.177 0.000 1.059 173 T CB 0.097 68.886 68.868 -0.132 0.000 0.991 173 T HN 0.257 nan 8.240 nan 0.000 0.531 174 I N 1.696 122.226 120.570 -0.066 0.000 2.647 174 I HA 0.576 4.746 4.170 -0.000 0.000 0.295 174 I C -0.209 175.919 176.117 0.018 0.000 1.078 174 I CA -1.244 60.040 61.300 -0.027 0.000 1.048 174 I CB 2.229 40.243 38.000 0.024 0.000 1.239 174 I HN 0.607 nan 8.210 nan 0.000 0.421 175 R N 3.141 123.653 120.500 0.020 0.000 2.744 175 R HA 0.537 4.877 4.340 -0.000 0.000 0.279 175 R C -1.123 175.204 176.300 0.046 0.000 0.977 175 R CA -1.085 55.035 56.100 0.034 0.000 0.906 175 R CB 2.206 32.516 30.300 0.017 0.000 1.197 175 R HN 0.524 nan 8.270 nan 0.000 0.463 176 K N 2.389 122.821 120.400 0.053 0.000 2.284 176 K HA 0.070 4.390 4.320 -0.000 0.000 0.287 176 K C -1.107 175.514 176.600 0.035 0.000 1.081 176 K CA -0.358 55.963 56.287 0.056 0.000 0.910 176 K CB 0.817 33.357 32.500 0.067 0.000 1.088 176 K HN 0.643 nan 8.250 nan 0.000 0.478 177 D N 4.167 124.579 120.400 0.021 0.000 2.414 177 D HA 0.280 4.919 4.640 -0.000 0.000 0.232 177 D C 0.711 177.009 176.300 -0.004 0.000 1.070 177 D CA 0.737 54.741 54.000 0.006 0.000 0.839 177 D CB 1.240 42.039 40.800 -0.002 0.000 1.079 177 D HN 0.880 nan 8.370 nan 0.000 0.521 178 G N 3.817 112.619 108.800 0.003 0.000 2.602 178 G HA2 -0.298 3.661 3.960 -0.000 0.000 0.310 178 G HA3 -0.298 3.661 3.960 -0.000 0.000 0.310 178 G C 0.684 175.590 174.900 0.011 0.000 1.183 178 G CA 0.577 45.677 45.100 0.001 0.000 0.979 178 G HN 0.557 nan 8.290 nan 0.000 0.545 179 L N 0.796 122.007 121.223 -0.020 0.000 3.014 179 L HA 0.402 4.741 4.340 -0.000 0.000 0.263 179 L C 0.802 177.543 176.870 -0.216 0.000 1.207 179 L CA -0.006 54.811 54.840 -0.040 0.000 1.017 179 L CB 0.249 42.306 42.059 -0.003 0.000 1.360 179 L HN 0.235 nan 8.230 nan 0.000 0.560 180 K N 0.821 121.116 120.400 -0.176 0.000 2.340 180 K HA 0.661 4.981 4.320 -0.000 0.000 0.244 180 K C -0.994 175.550 176.600 -0.094 0.000 0.973 180 K CA -0.802 55.327 56.287 -0.264 0.000 0.828 180 K CB 3.001 35.389 32.500 -0.187 0.000 1.226 180 K HN -0.055 nan 8.250 nan 0.000 0.437 181 L N 2.142 123.336 121.223 -0.047 0.000 2.296 181 L HA 0.490 4.830 4.340 -0.000 0.000 0.286 181 L C -0.816 176.092 176.870 0.063 0.000 1.023 181 L CA -1.075 53.813 54.840 0.079 0.000 0.812 181 L CB 1.709 43.894 42.059 0.211 0.000 1.223 181 L HN 0.255 nan 8.230 nan 0.000 0.421 182 V N 1.989 121.932 119.914 0.049 0.000 2.604 182 V HA 0.809 4.929 4.120 -0.000 0.000 0.305 182 V C 0.273 176.367 176.094 -0.001 0.000 1.043 182 V CA -0.451 61.874 62.300 0.042 0.000 0.888 182 V CB 1.938 33.778 31.823 0.029 0.000 0.995 182 V HN 0.884 nan 8.190 nan 0.000 0.429 183 G N 1.970 110.744 108.800 -0.042 0.000 2.574 183 G HA2 0.726 4.686 3.960 -0.000 0.000 0.299 183 G HA3 0.726 4.686 3.960 -0.000 0.000 0.299 183 G C -0.808 173.866 174.900 -0.377 0.000 1.298 183 G CA -0.369 44.574 45.100 -0.262 0.000 0.952 183 G HN 0.905 nan 8.290 nan 0.000 0.477 184 S N -0.127 115.290 115.700 -0.471 0.000 2.536 184 S HA 0.794 5.264 4.470 -0.000 0.000 0.298 184 S C -1.075 173.246 174.600 -0.465 0.000 1.083 184 S CA -0.837 57.200 58.200 -0.271 0.000 0.995 184 S CB 1.839 64.985 63.200 -0.090 0.000 1.058 184 S HN 0.607 nan 8.310 nan 0.000 0.488 185 W N 1.000 122.316 121.300 0.026 0.000 2.689 185 W HA 0.617 5.277 4.660 -0.000 0.000 0.340 185 W C 0.135 176.663 176.519 0.016 0.000 1.060 185 W CA -0.766 56.594 57.345 0.025 0.000 1.218 185 W CB 2.495 31.973 29.460 0.031 0.000 1.410 185 W HN 0.797 nan 8.180 nan 0.000 0.528 196 E N 1.345 121.565 120.200 0.034 0.000 7.334 196 E HA -0.097 4.253 4.350 -0.000 0.000 0.208 196 E C -2.372 174.260 176.600 0.053 0.000 0.948 196 E CA -0.384 56.037 56.400 0.035 0.000 1.626 196 E CB 0.110 29.827 29.700 0.029 0.000 0.908 196 E HN 0.114 nan 8.360 nan 0.000 0.271 197 P HA -0.016 nan 4.420 nan 0.000 0.272 197 P C -0.516 176.854 177.300 0.117 0.000 1.239 197 P CA 0.574 63.726 63.100 0.087 0.000 0.807 197 P CB 0.409 32.145 31.700 0.059 0.000 0.951 198 E N 0.059 120.374 120.200 0.191 0.000 2.731 198 E HA 0.276 4.626 4.350 -0.000 0.000 0.248 198 E C -0.819 175.956 176.600 0.292 0.000 1.084 198 E CA -0.340 56.190 56.400 0.216 0.000 0.776 198 E CB 0.443 30.289 29.700 0.243 0.000 1.404 198 E HN 0.327 nan 8.360 nan 0.000 0.395 199 L N 4.274 125.602 121.223 0.175 0.000 2.342 199 L HA 0.412 4.752 4.340 -0.000 0.000 0.285 199 L C 0.278 177.243 176.870 0.157 0.000 1.095 199 L CA -0.115 54.824 54.840 0.164 0.000 0.843 199 L CB -0.129 41.980 42.059 0.084 0.000 1.201 199 L HN 0.306 nan 8.230 nan 0.000 0.445 200 R N 2.269 122.916 120.500 0.246 0.000 2.744 200 R HA 0.711 5.051 4.340 -0.000 0.000 0.279 200 R C -1.314 175.089 176.300 0.172 0.000 0.977 200 R CA -0.884 55.318 56.100 0.170 0.000 0.906 200 R CB 1.598 31.979 30.300 0.136 0.000 1.197 200 R HN 0.154 nan 8.270 nan 0.000 0.463 201 V N 3.596 123.563 119.914 0.088 0.000 2.614 201 V HA 0.156 4.276 4.120 -0.000 0.000 0.291 201 V C 0.430 176.582 176.094 0.097 0.000 1.049 201 V CA -0.556 61.785 62.300 0.068 0.000 1.038 201 V CB 1.029 32.859 31.823 0.012 0.000 0.980 201 V HN 0.594 nan 8.190 nan 0.000 0.481 202 L N 5.094 126.381 121.223 0.107 0.000 2.363 202 L HA 0.225 4.564 4.340 -0.000 0.000 0.286 202 L C 0.805 177.735 176.870 0.099 0.000 1.106 202 L CA -0.022 54.901 54.840 0.139 0.000 0.859 202 L CB 0.795 42.961 42.059 0.178 0.000 1.223 202 L HN 0.873 nan 8.230 nan 0.000 0.446 203 S N 0.668 116.421 115.700 0.089 0.000 2.533 203 S HA 0.035 4.505 4.470 -0.000 0.000 0.282 203 S C 1.272 175.942 174.600 0.116 0.000 1.304 203 S CA -0.598 57.645 58.200 0.073 0.000 1.063 203 S CB 1.137 64.378 63.200 0.068 0.000 0.881 203 S HN 0.641 nan 8.310 nan 0.000 0.493 204 T N 3.309 117.938 114.554 0.126 0.000 2.665 204 T HA -0.199 4.150 4.350 -0.000 0.000 0.268 204 T C 1.497 176.281 174.700 0.140 0.000 1.035 204 T CA 2.159 64.403 62.100 0.239 0.000 1.151 204 T CB -0.626 68.396 68.868 0.257 0.000 0.862 204 T HN 0.857 nan 8.240 nan 0.000 0.438 205 E N 0.652 120.913 120.200 0.102 0.000 2.233 205 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 205 E C 2.180 178.828 176.600 0.079 0.000 1.004 205 E CA 1.277 57.724 56.400 0.079 0.000 0.819 205 E CB -0.095 29.646 29.700 0.069 0.000 0.738 205 E HN 0.632 nan 8.360 nan 0.000 0.478 206 E N 0.266 120.520 120.200 0.091 0.000 2.057 206 E HA -0.110 4.240 4.350 -0.000 0.000 0.190 206 E C 2.061 178.728 176.600 0.112 0.000 0.969 206 E CA 0.259 56.715 56.400 0.094 0.000 0.812 206 E CB 0.170 29.924 29.700 0.089 0.000 0.777 206 E HN 0.072 nan 8.360 nan 0.000 0.455 207 I N 2.051 122.693 120.570 0.120 0.000 2.091 207 I HA -0.359 3.811 4.170 -0.000 0.000 0.240 207 I C 2.681 178.811 176.117 0.023 0.000 1.046 207 I CA 1.358 62.726 61.300 0.113 0.000 1.306 207 I CB -1.276 36.739 38.000 0.025 0.000 1.018 207 I HN 0.374 nan 8.210 nan 0.000 0.404 208 L N 0.618 121.785 121.223 -0.094 0.000 1.976 208 L HA -0.349 3.991 4.340 -0.000 0.000 0.223 208 L C 2.628 179.536 176.870 0.064 0.000 1.081 208 L CA 2.178 56.952 54.840 -0.109 0.000 0.784 208 L CB -0.602 41.436 42.059 -0.034 0.000 0.896 208 L HN 0.445 nan 8.230 nan 0.000 0.438 209 N N 0.502 119.259 118.700 0.096 0.000 2.023 209 N HA -0.294 4.446 4.740 -0.000 0.000 0.200 209 N C 1.825 177.471 175.510 0.228 0.000 1.048 209 N CA 2.734 55.869 53.050 0.140 0.000 0.872 209 N CB -0.422 38.158 38.487 0.155 0.000 1.070 209 N HN 0.379 nan 8.380 nan 0.000 0.441 210 I N 0.351 121.076 120.570 0.259 0.000 2.093 210 I HA -0.360 3.810 4.170 -0.000 0.000 0.239 210 I C 2.223 178.521 176.117 0.301 0.000 1.026 210 I CA 1.678 63.144 61.300 0.276 0.000 1.295 210 I CB -0.742 37.417 38.000 0.264 0.000 1.007 210 I HN 0.064 nan 8.210 nan 0.000 0.401 211 F N 1.031 121.001 119.950 0.034 0.000 2.063 211 F HA -0.300 4.227 4.527 -0.000 0.000 0.298 211 F C 2.553 178.354 175.800 0.001 0.000 1.105 211 F CA 1.731 59.728 58.000 -0.005 0.000 1.215 211 F CB -0.957 38.005 39.000 -0.063 0.000 0.972 211 F HN -0.018 nan 8.300 nan 0.000 0.483 212 K N -1.038 119.472 120.400 0.184 0.000 2.127 212 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 212 K C 1.817 178.375 176.600 -0.070 0.000 1.047 212 K CA 1.607 57.898 56.287 0.008 0.000 0.927 212 K CB -0.354 32.094 32.500 -0.085 0.000 0.716 212 K HN 0.365 nan 8.250 nan 0.000 0.450 213 H N -0.155 118.943 119.070 0.046 0.000 2.551 213 H HA 0.124 4.680 4.556 -0.000 0.000 0.266 213 H C 0.501 175.786 175.328 -0.070 0.000 0.977 213 H CA 0.254 56.297 56.048 -0.007 0.000 1.163 213 H CB -0.000 29.770 29.762 0.014 0.000 1.381 213 H HN 0.104 nan 8.280 nan 0.000 0.581 214 I N 1.742 122.319 120.570 0.012 0.000 2.692 214 I HA -0.103 4.067 4.170 -0.000 0.000 0.284 214 I C 1.181 177.084 176.117 -0.357 0.000 1.159 214 I CA 0.112 61.340 61.300 -0.121 0.000 1.423 214 I CB 0.730 38.671 38.000 -0.098 0.000 1.380 214 I HN 0.105 nan 8.210 nan 0.000 0.580 215 S N 4.827 120.327 115.700 -0.332 0.000 2.589 215 S HA 0.121 4.591 4.470 -0.000 0.000 0.265 215 S C 1.172 175.335 174.600 -0.728 0.000 1.342 215 S CA -0.818 57.135 58.200 -0.412 0.000 1.005 215 S CB 1.354 64.424 63.200 -0.217 0.000 0.909 215 S HN 0.379 nan 8.310 nan 0.000 0.555 216 V N 3.326 122.894 119.914 -0.576 0.000 2.237 216 V HA -0.147 3.973 4.120 -0.000 0.000 0.245 216 V C 2.597 178.560 176.094 -0.219 0.000 1.046 216 V CA 2.063 64.066 62.300 -0.495 0.000 1.007 216 V CB -1.041 30.656 31.823 -0.210 0.000 0.638 216 V HN 0.900 nan 8.190 nan 0.000 0.445 217 K N -0.109 120.210 120.400 -0.134 0.000 2.280 217 K HA -0.159 4.161 4.320 -0.000 0.000 0.202 217 K C 1.784 178.372 176.600 -0.019 0.000 1.047 217 K CA 1.349 57.609 56.287 -0.045 0.000 0.942 217 K CB -0.240 32.234 32.500 -0.043 0.000 0.739 217 K HN 0.523 nan 8.250 nan 0.000 0.457 218 D N 0.208 120.560 120.400 -0.080 0.000 2.194 218 D HA -0.051 4.589 4.640 -0.000 0.000 0.204 218 D C 1.661 178.022 176.300 0.102 0.000 0.964 218 D CA 0.725 54.709 54.000 -0.026 0.000 0.846 218 D CB -0.109 40.635 40.800 -0.093 0.000 0.962 218 D HN 0.134 nan 8.370 nan 0.000 0.490 219 F N 1.749 121.672 119.950 -0.046 0.000 1.982 219 F HA -0.272 4.254 4.527 -0.000 0.000 0.296 219 F C 2.721 178.584 175.800 0.105 0.000 1.199 219 F CA 1.246 59.220 58.000 -0.043 0.000 1.174 219 F CB -0.762 38.211 39.000 -0.045 0.000 0.963 219 F HN -0.050 nan 8.300 nan 0.000 0.495 220 T N 0.334 115.104 114.554 0.361 0.000 2.635 220 T HA -0.360 3.990 4.350 -0.000 0.000 0.265 220 T C 1.887 176.692 174.700 0.174 0.000 1.058 220 T CA 2.242 64.470 62.100 0.215 0.000 1.162 220 T CB -1.189 67.763 68.868 0.139 0.000 0.859 220 T HN 0.436 nan 8.240 nan 0.000 0.449 221 S N 2.052 117.841 115.700 0.150 0.000 2.380 221 S HA -0.067 4.403 4.470 -0.000 0.000 0.229 221 S C 1.052 175.772 174.600 0.200 0.000 1.043 221 S CA 0.774 59.052 58.200 0.129 0.000 1.038 221 S CB -0.917 62.336 63.200 0.089 0.000 0.872 221 S HN 0.453 nan 8.310 nan 0.000 0.456 222 L N 1.469 122.866 121.223 0.291 0.000 2.439 222 L HA 0.453 4.793 4.340 -0.000 0.000 0.261 222 L C 1.231 178.307 176.870 0.343 0.000 1.153 222 L CA -0.392 54.742 54.840 0.491 0.000 0.808 222 L CB 0.146 42.562 42.059 0.595 0.000 1.126 222 L HN 0.325 nan 8.230 nan 0.000 0.460 223 G N 1.864 110.715 108.800 0.085 0.000 2.686 223 G HA2 0.175 4.135 3.960 -0.000 0.000 0.280 223 G HA3 0.175 4.135 3.960 -0.000 0.000 0.280 223 G C -0.532 173.995 174.900 -0.621 0.000 0.666 223 G CA 0.185 45.087 45.100 -0.330 0.000 2.114 223 G HN 0.242 nan 8.290 nan 0.000 0.553 224 F N -0.555 119.324 119.950 -0.118 0.000 2.790 224 F HA 0.557 5.084 4.527 -0.000 0.000 0.337 224 F C -0.042 175.706 175.800 -0.088 0.000 1.163 224 F CA -1.288 56.628 58.000 -0.140 0.000 0.997 224 F CB 2.315 41.192 39.000 -0.204 0.000 1.437 224 F HN 0.215 nan 8.300 nan 0.000 0.512 225 N N -0.073 118.705 118.700 0.130 0.000 2.454 225 N HA 0.142 4.882 4.740 -0.000 0.000 0.291 225 N C -0.026 175.508 175.510 0.041 0.000 1.079 225 N CA -0.274 52.806 53.050 0.051 0.000 0.893 225 N CB 1.572 40.057 38.487 -0.003 0.000 1.512 225 N HN 0.671 nan 8.380 nan 0.000 0.497 226 E N 2.004 122.267 120.200 0.105 0.000 2.273 226 E HA -0.145 4.205 4.350 -0.000 0.000 0.198 226 E C 0.417 177.120 176.600 0.170 0.000 1.002 226 E CA 1.491 58.004 56.400 0.190 0.000 0.828 226 E CB 0.312 30.125 29.700 0.189 0.000 0.747 226 E HN 0.541 nan 8.360 nan 0.000 0.491 227 V N -1.227 118.756 119.914 0.115 0.000 3.013 227 V HA 0.025 4.145 4.120 -0.000 0.000 0.238 227 V C 1.751 178.207 176.094 0.603 0.000 1.161 227 V CA 0.484 62.941 62.300 0.261 0.000 1.170 227 V CB -0.376 31.476 31.823 0.048 0.000 0.917 227 V HN 0.216 nan 8.190 nan 0.000 0.478 228 F N 1.497 121.574 119.950 0.212 0.000 2.530 228 F HA 0.209 4.736 4.527 -0.000 0.000 0.292 228 F C 0.991 176.960 175.800 0.283 0.000 1.109 228 F CA 0.519 58.618 58.000 0.166 0.000 1.450 228 F CB 0.496 39.542 39.000 0.076 0.000 1.114 228 F HN 0.313 nan 8.300 nan 0.000 0.560 229 S N 0.478 116.502 115.700 0.540 0.000 2.385 229 S HA 0.420 4.889 4.470 -0.000 0.000 0.191 229 S C -0.780 173.996 174.600 0.294 0.000 1.196 229 S CA -0.922 57.595 58.200 0.528 0.000 1.178 229 S CB 0.784 64.187 63.200 0.337 0.000 1.258 229 S HN 0.075 nan 8.310 nan 0.000 0.430 230 R N 2.071 122.515 120.500 -0.094 0.000 2.528 230 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 230 R C -1.951 173.999 176.300 -0.583 0.000 1.056 230 R CA -2.181 53.342 56.100 -0.961 0.000 1.117 230 R CB 0.343 29.645 30.300 -1.663 0.000 1.085 230 R HN 0.271 nan 8.270 nan 0.000 0.530 231 P HA -0.179 nan 4.420 nan 0.000 0.217 231 P C 0.507 177.782 177.300 -0.042 0.000 1.151 231 P CA 1.083 63.891 63.100 -0.486 0.000 0.828 231 P CB 0.054 31.243 31.700 -0.851 0.000 0.788 232 E N -1.252 118.828 120.200 -0.199 0.000 2.448 232 E HA -0.199 4.151 4.350 -0.000 0.000 0.203 232 E C 0.561 177.119 176.600 -0.071 0.000 1.046 232 E CA 0.802 57.111 56.400 -0.151 0.000 0.871 232 E CB -0.873 28.680 29.700 -0.245 0.000 0.790 232 E HN 0.346 nan 8.360 nan 0.000 0.545 233 W N 0.158 121.499 121.300 0.068 0.000 3.239 233 W HA 0.374 5.034 4.660 -0.000 0.000 0.368 233 W C 1.171 177.789 176.519 0.165 0.000 1.154 233 W CA -0.428 56.980 57.345 0.104 0.000 1.860 233 W CB -0.238 29.298 29.460 0.127 0.000 1.094 233 W HN 0.143 nan 8.180 nan 0.000 0.643 234 M N -0.390 119.415 119.600 0.342 0.000 2.509 234 M HA 0.142 4.622 4.480 -0.000 0.000 0.250 234 M C 0.458 176.857 176.300 0.165 0.000 1.132 234 M CA 0.877 56.435 55.300 0.430 0.000 1.080 234 M CB 0.449 33.322 32.600 0.455 0.000 1.408 234 M HN -0.323 nan 8.290 nan 0.000 0.484 235 I N 1.976 122.573 120.570 0.046 0.000 2.312 235 I HA 0.222 4.392 4.170 -0.000 0.000 0.290 235 I C -0.485 175.677 176.117 0.075 0.000 1.008 235 I CA -0.637 60.652 61.300 -0.019 0.000 1.226 235 I CB 1.090 39.010 38.000 -0.133 0.000 1.371 235 I HN 0.059 nan 8.210 nan 0.000 0.468 236 L N 6.526 127.788 121.223 0.065 0.000 2.410 236 L HA 0.237 4.577 4.340 -0.000 0.000 0.273 236 L C 0.834 177.745 176.870 0.068 0.000 1.152 236 L CA 0.133 55.002 54.840 0.049 0.000 0.855 236 L CB 0.426 42.489 42.059 0.007 0.000 1.129 236 L HN 0.647 nan 8.230 nan 0.000 0.463 237 T N 0.023 114.618 114.554 0.068 0.000 2.989 237 T HA 0.057 4.407 4.350 -0.000 0.000 0.250 237 T C -0.057 174.671 174.700 0.047 0.000 0.981 237 T CA 0.093 62.234 62.100 0.068 0.000 0.980 237 T CB 0.437 69.360 68.868 0.092 0.000 1.133 237 T HN 0.650 nan 8.240 nan 0.000 0.489 238 C N 2.772 122.093 119.300 0.034 0.000 2.381 238 C HA 0.758 5.218 4.460 -0.000 0.000 0.328 238 C C -1.087 173.900 174.990 -0.004 0.000 1.190 238 C CA -1.269 57.763 59.018 0.023 0.000 1.369 238 C CB -0.492 27.275 27.740 0.044 0.000 2.029 238 C HN 0.425 nan 8.230 nan 0.000 0.448 239 L N 9.735 130.959 121.223 0.002 0.000 2.283 239 L HA 0.511 4.851 4.340 -0.000 0.000 0.287 239 L C -1.898 174.990 176.870 0.029 0.000 1.073 239 L CA -1.682 53.166 54.840 0.013 0.000 0.822 239 L CB 0.909 42.997 42.059 0.048 0.000 1.186 239 L HN 0.526 nan 8.230 nan 0.000 0.436 240 P HA 0.012 nan 4.420 nan 0.000 0.266 240 P C -0.913 176.528 177.300 0.235 0.000 1.215 240 P CA -0.011 63.102 63.100 0.022 0.000 0.763 240 P CB 0.754 32.297 31.700 -0.262 0.000 0.806 241 V N 6.511 126.590 119.914 0.277 0.000 2.304 241 V HA 0.208 4.327 4.120 -0.000 0.000 0.269 241 V C -1.687 174.438 176.094 0.051 0.000 1.036 241 V CA -2.173 60.235 62.300 0.181 0.000 0.840 241 V CB 0.794 32.657 31.823 0.066 0.000 1.036 241 V HN 0.522 nan 8.190 nan 0.000 0.466 242 P HA 0.160 nan 4.420 nan 0.000 0.264 242 P C -2.569 174.468 177.300 -0.438 0.000 1.193 242 P CA -1.013 61.800 63.100 -0.479 0.000 0.763 242 P CB 0.444 32.147 31.700 0.005 0.000 0.810 243 P HA 0.150 nan 4.420 nan 0.000 0.278 243 P C -1.752 175.405 177.300 -0.238 0.000 1.238 243 P CA -1.772 61.115 63.100 -0.355 0.000 0.794 243 P CB 0.028 31.494 31.700 -0.389 0.000 0.955 244 P HA -0.235 nan 4.420 nan 0.000 0.233 244 P C -1.216 176.013 177.300 -0.118 0.000 1.100 244 P CA 2.938 65.962 63.100 -0.126 0.000 1.009 244 P CB -2.553 29.082 31.700 -0.108 0.000 0.759 245 P HA -0.095 nan 4.420 nan 0.000 0.224 245 P C 1.582 178.831 177.300 -0.085 0.000 1.142 245 P CA 1.017 64.055 63.100 -0.103 0.000 0.778 245 P CB -0.441 31.193 31.700 -0.111 0.000 0.764 246 V N -0.290 119.568 119.914 -0.095 0.000 2.500 246 V HA -0.034 4.086 4.120 -0.000 0.000 0.243 246 V C 1.477 177.543 176.094 -0.048 0.000 1.039 246 V CA 1.203 63.468 62.300 -0.059 0.000 1.053 246 V CB -0.779 31.010 31.823 -0.056 0.000 0.695 246 V HN 0.191 nan 8.190 nan 0.000 0.463 247 R N 1.531 121.989 120.500 -0.069 0.000 2.835 247 R HA 0.350 4.690 4.340 -0.000 0.000 0.290 247 R C -2.911 173.332 176.300 -0.096 0.000 1.410 247 R CA -1.461 54.595 56.100 -0.074 0.000 1.590 247 R CB -0.038 30.219 30.300 -0.071 0.000 1.288 247 R HN 0.279 nan 8.270 nan 0.000 0.637 248 P HA -0.038 nan 4.420 nan 0.000 0.269 248 P C 0.079 177.309 177.300 -0.117 0.000 1.209 248 P CA 0.263 63.304 63.100 -0.099 0.000 0.776 248 P CB 1.452 33.099 31.700 -0.088 0.000 0.876 249 S N 2.890 118.516 115.700 -0.123 0.000 2.481 249 S HA 0.591 5.061 4.470 -0.000 0.000 0.267 249 S C 0.312 174.810 174.600 -0.170 0.000 1.174 249 S CA -0.642 57.471 58.200 -0.145 0.000 1.027 249 S CB 0.336 63.458 63.200 -0.130 0.000 1.117 249 S HN 0.489 nan 8.310 nan 0.000 0.495 250 I N 1.253 121.686 120.570 -0.228 0.000 2.675 250 I HA 0.185 4.355 4.170 -0.000 0.000 0.284 250 I C -0.976 174.820 176.117 -0.535 0.000 1.285 250 I CA -0.337 60.757 61.300 -0.343 0.000 1.079 250 I CB 2.161 39.949 38.000 -0.353 0.000 1.318 250 I HN 0.809 nan 8.210 nan 0.000 0.439 251 S N 4.914 120.353 115.700 -0.436 0.000 2.480 251 S HA 0.614 5.084 4.470 -0.000 0.000 0.286 251 S C -0.589 173.742 174.600 -0.449 0.000 1.180 251 S CA -0.521 57.442 58.200 -0.394 0.000 1.075 251 S CB 0.802 63.901 63.200 -0.169 0.000 0.996 251 S HN 0.378 nan 8.310 nan 0.000 0.487 252 F N 3.408 123.350 119.950 -0.013 0.000 2.508 252 F HA 0.389 4.916 4.527 -0.000 0.000 0.329 252 F C 1.007 176.801 175.800 -0.009 0.000 1.198 252 F CA -0.642 57.352 58.000 -0.010 0.000 1.268 252 F CB -0.860 38.136 39.000 -0.008 0.000 1.584 252 F HN 0.663 nan 8.300 nan 0.000 0.570 253 N N 0.923 119.670 118.700 0.078 0.000 2.349 253 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 253 N C -0.159 175.372 175.510 0.034 0.000 0.638 253 N CA 1.287 54.366 53.050 0.048 0.000 1.509 253 N CB -0.608 37.916 38.487 0.062 0.000 1.496 253 N HN 0.491 nan 8.380 nan 0.000 0.396 254 E N 0.556 120.784 120.200 0.046 0.000 2.336 254 E HA 0.518 4.868 4.350 -0.000 0.000 0.267 254 E C 0.313 176.942 176.600 0.047 0.000 0.906 254 E CA 0.016 56.435 56.400 0.033 0.000 0.781 254 E CB 2.196 31.907 29.700 0.019 0.000 1.261 254 E HN 0.711 nan 8.360 nan 0.000 0.436 255 S N 0.679 116.401 115.700 0.038 0.000 3.011 255 S HA -0.333 4.137 4.470 -0.000 0.000 0.278 255 S C 0.055 174.696 174.600 0.068 0.000 1.300 255 S CA 1.530 59.754 58.200 0.041 0.000 1.248 255 S CB -1.443 61.775 63.200 0.031 0.000 1.517 255 S HN 0.619 nan 8.310 nan 0.000 0.685 256 Q N 0.956 120.821 119.800 0.108 0.000 2.394 256 Q HA 0.518 4.857 4.340 -0.000 0.000 0.261 256 Q C -0.734 175.399 176.000 0.222 0.000 1.023 256 Q CA -0.677 55.249 55.803 0.204 0.000 0.720 256 Q CB 1.029 29.946 28.738 0.297 0.000 1.241 256 Q HN 0.292 nan 8.270 nan 0.000 0.483 257 R N 0.851 121.447 120.500 0.160 0.000 2.562 257 R HA 0.619 4.959 4.340 -0.000 0.000 0.298 257 R C -0.241 176.124 176.300 0.108 0.000 0.961 257 R CA -0.756 55.385 56.100 0.069 0.000 0.881 257 R CB 1.937 32.253 30.300 0.027 0.000 1.159 257 R HN 0.669 nan 8.270 nan 0.000 0.450 258 G N 2.375 111.180 108.800 0.008 0.000 2.990 258 G HA2 0.346 4.305 3.960 -0.000 0.000 0.300 258 G HA3 0.346 4.305 3.960 -0.000 0.000 0.300 258 G C -0.330 174.509 174.900 -0.101 0.000 1.498 258 G CA -0.432 44.687 45.100 0.033 0.000 1.074 258 G HN 0.439 nan 8.290 nan 0.000 0.542 259 E N 1.069 121.179 120.200 -0.149 0.000 2.376 259 E HA 0.158 4.508 4.350 -0.000 0.000 0.254 259 E C -0.460 175.908 176.600 -0.387 0.000 1.213 259 E CA -0.488 55.755 56.400 -0.263 0.000 0.945 259 E CB 1.341 30.877 29.700 -0.273 0.000 1.057 259 E HN 0.409 nan 8.360 nan 0.000 0.479 260 D N 0.064 120.254 120.400 -0.351 0.000 2.225 260 D HA 0.016 4.656 4.640 -0.000 0.000 0.249 260 D C -0.021 176.042 176.300 -0.396 0.000 1.052 260 D CA -0.180 53.638 54.000 -0.304 0.000 0.909 260 D CB 1.248 41.943 40.800 -0.174 0.000 1.186 260 D HN 0.322 nan 8.370 nan 0.000 0.431 261 D N 2.031 122.270 120.400 -0.268 0.000 2.230 261 D HA -0.237 4.403 4.640 -0.000 0.000 0.189 261 D C 2.036 178.291 176.300 -0.076 0.000 1.006 261 D CA 1.643 55.555 54.000 -0.146 0.000 0.853 261 D CB 0.008 40.796 40.800 -0.020 0.000 0.959 261 D HN 0.393 nan 8.370 nan 0.000 0.449 262 L N 0.361 121.559 121.223 -0.042 0.000 2.034 262 L HA -0.286 4.054 4.340 -0.000 0.000 0.217 262 L C 2.524 179.341 176.870 -0.088 0.000 1.077 262 L CA 1.668 56.499 54.840 -0.014 0.000 0.769 262 L CB -0.937 41.151 42.059 0.049 0.000 0.890 262 L HN 0.202 nan 8.230 nan 0.000 0.435 263 T N -0.545 113.943 114.554 -0.109 0.000 2.737 263 T HA -0.222 4.128 4.350 -0.000 0.000 0.269 263 T C 1.653 176.375 174.700 0.036 0.000 1.040 263 T CA 1.492 63.541 62.100 -0.086 0.000 1.142 263 T CB -0.410 68.382 68.868 -0.127 0.000 0.861 263 T HN 0.233 nan 8.240 nan 0.000 0.456 264 F N 1.153 121.041 119.950 -0.103 0.000 2.051 264 F HA -0.141 4.386 4.527 -0.000 0.000 0.296 264 F C 2.583 178.273 175.800 -0.183 0.000 1.122 264 F CA 0.677 58.610 58.000 -0.112 0.000 1.201 264 F CB -0.120 38.836 39.000 -0.072 0.000 0.978 264 F HN 0.024 nan 8.300 nan 0.000 0.472 265 K N 1.020 121.419 120.400 -0.001 0.000 2.000 265 K HA -0.217 4.103 4.320 -0.000 0.000 0.218 265 K C 1.773 178.177 176.600 -0.327 0.000 1.053 265 K CA 1.447 57.607 56.287 -0.211 0.000 0.946 265 K CB -1.115 31.253 32.500 -0.221 0.000 0.723 265 K HN 0.168 nan 8.250 nan 0.000 0.446 266 L N 0.203 121.184 121.223 -0.403 0.000 2.011 266 L HA -0.380 3.960 4.340 -0.000 0.000 0.225 266 L C 2.364 179.107 176.870 -0.211 0.000 1.084 266 L CA 1.761 56.385 54.840 -0.361 0.000 0.791 266 L CB -0.939 40.947 42.059 -0.288 0.000 0.898 266 L HN 0.339 nan 8.230 nan 0.000 0.440 267 A N 0.172 122.915 122.820 -0.129 0.000 1.863 267 A HA -0.345 3.975 4.320 -0.000 0.000 0.218 267 A C 1.971 179.465 177.584 -0.150 0.000 1.233 267 A CA 2.512 54.495 52.037 -0.091 0.000 0.655 267 A CB -1.046 17.933 19.000 -0.036 0.000 0.839 267 A HN 0.523 nan 8.150 nan 0.000 0.454 268 D N -0.326 119.930 120.400 -0.240 0.000 2.149 268 D HA -0.184 4.456 4.640 -0.000 0.000 0.194 268 D C 1.921 178.043 176.300 -0.296 0.000 1.001 268 D CA 1.656 55.444 54.000 -0.352 0.000 0.849 268 D CB -0.394 39.969 40.800 -0.728 0.000 0.939 268 D HN 0.558 nan 8.370 nan 0.000 0.449 269 I N 0.392 120.782 120.570 -0.300 0.000 2.226 269 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 269 I C 2.391 178.474 176.117 -0.057 0.000 1.100 269 I CA 0.455 61.687 61.300 -0.113 0.000 1.374 269 I CB -0.085 37.840 38.000 -0.125 0.000 1.057 269 I HN 0.036 nan 8.210 nan 0.000 0.413 270 L N 1.052 122.221 121.223 -0.089 0.000 1.976 270 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 270 L C 2.397 179.242 176.870 -0.042 0.000 1.071 270 L CA 1.895 56.697 54.840 -0.063 0.000 0.746 270 L CB -0.945 41.075 42.059 -0.065 0.000 0.890 270 L HN 0.095 nan 8.230 nan 0.000 0.432 271 K N -0.563 119.811 120.400 -0.043 0.000 2.015 271 K HA -0.281 4.039 4.320 -0.000 0.000 0.220 271 K C 2.016 178.621 176.600 0.008 0.000 1.055 271 K CA 2.057 58.333 56.287 -0.020 0.000 0.951 271 K CB -0.691 31.796 32.500 -0.021 0.000 0.725 271 K HN 0.478 nan 8.250 nan 0.000 0.449 272 A N 1.664 124.511 122.820 0.044 0.000 1.903 272 A HA -0.337 3.983 4.320 -0.000 0.000 0.219 272 A C 1.977 179.592 177.584 0.051 0.000 1.191 272 A CA 2.414 54.505 52.037 0.089 0.000 0.638 272 A CB -1.033 18.087 19.000 0.199 0.000 0.823 272 A HN 0.454 nan 8.150 nan 0.000 0.451 273 N N -0.055 118.664 118.700 0.031 0.000 2.013 273 N HA -0.159 4.580 4.740 -0.000 0.000 0.195 273 N C 1.550 177.059 175.510 -0.000 0.000 1.051 273 N CA 2.271 55.329 53.050 0.013 0.000 0.851 273 N CB -0.409 38.073 38.487 -0.009 0.000 1.044 273 N HN 0.536 nan 8.380 nan 0.000 0.422 274 I N 0.126 120.685 120.570 -0.018 0.000 2.068 274 I HA -0.382 3.788 4.170 -0.000 0.000 0.238 274 I C 2.409 178.523 176.117 -0.005 0.000 1.046 274 I CA 1.781 63.066 61.300 -0.024 0.000 1.306 274 I CB -1.018 36.958 38.000 -0.041 0.000 1.023 274 I HN 0.343 nan 8.210 nan 0.000 0.399 275 S N 0.957 116.658 115.700 0.002 0.000 2.441 275 S HA -0.232 4.238 4.470 -0.000 0.000 0.242 275 S C 1.881 176.486 174.600 0.008 0.000 1.018 275 S CA 1.595 59.799 58.200 0.007 0.000 0.988 275 S CB -0.689 62.520 63.200 0.015 0.000 0.778 275 S HN 0.440 nan 8.310 nan 0.000 0.498 276 L N 1.421 122.650 121.223 0.010 0.000 2.084 276 L HA 0.192 4.532 4.340 -0.000 0.000 0.202 276 L C 2.668 179.536 176.870 -0.003 0.000 1.074 276 L CA 2.015 56.859 54.840 0.006 0.000 0.757 276 L CB -0.799 41.268 42.059 0.014 0.000 0.918 276 L HN 0.432 nan 8.230 nan 0.000 0.444 277 E N -0.791 119.413 120.200 0.006 0.000 2.049 277 E HA -0.274 4.075 4.350 -0.000 0.000 0.198 277 E C 1.739 178.365 176.600 0.043 0.000 1.007 277 E CA 2.139 58.553 56.400 0.024 0.000 0.809 277 E CB -0.231 29.498 29.700 0.049 0.000 0.749 277 E HN 0.535 nan 8.360 nan 0.000 0.450 278 T N 1.418 115.996 114.554 0.040 0.000 2.918 278 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 278 T C 1.581 176.293 174.700 0.019 0.000 1.104 278 T CA 0.831 62.959 62.100 0.046 0.000 1.114 278 T CB -0.093 68.787 68.868 0.020 0.000 0.855 278 T HN 0.223 nan 8.240 nan 0.000 0.518 279 L N 0.112 121.327 121.223 -0.013 0.000 2.592 279 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 279 L C 1.838 178.655 176.870 -0.087 0.000 1.127 279 L CA 0.706 55.523 54.840 -0.039 0.000 0.884 279 L CB -0.074 41.965 42.059 -0.033 0.000 1.065 279 L HN 0.271 nan 8.230 nan 0.000 0.457 280 E N -1.298 118.815 120.200 -0.145 0.000 2.538 280 E HA 0.088 4.437 4.350 -0.000 0.000 0.207 280 E C 0.359 176.696 176.600 -0.439 0.000 1.002 280 E CA -0.016 56.217 56.400 -0.279 0.000 0.952 280 E CB 0.586 30.089 29.700 -0.328 0.000 1.031 280 E HN 0.405 nan 8.360 nan 0.000 0.476 281 H N -0.595 118.457 119.070 -0.031 0.000 2.885 281 H HA 0.343 4.898 4.556 -0.000 0.000 0.254 281 H C 0.016 175.326 175.328 -0.030 0.000 1.185 281 H CA -0.114 55.917 56.048 -0.028 0.000 1.029 281 H CB 0.635 30.383 29.762 -0.023 0.000 1.743 281 H HN 0.023 nan 8.280 nan 0.000 0.632 282 N N -0.610 118.110 118.700 0.033 0.000 3.550 282 N HA 0.157 4.897 4.740 -0.000 0.000 0.345 282 N C 0.356 175.844 175.510 -0.035 0.000 1.647 282 N CA -0.435 52.619 53.050 0.007 0.000 0.737 282 N CB 0.521 39.014 38.487 0.010 0.000 2.178 282 N HN 0.140 nan 8.380 nan 0.000 0.638 283 G N 0.350 109.128 108.800 -0.037 0.000 2.576 283 G HA2 0.334 4.294 3.960 -0.000 0.000 0.291 283 G HA3 0.334 4.294 3.960 -0.000 0.000 0.291 283 G C -0.035 174.812 174.900 -0.087 0.000 0.782 283 G CA 0.054 45.119 45.100 -0.059 0.000 1.886 283 G HN 0.540 nan 8.290 nan 0.000 0.493 284 A N 5.577 128.315 122.820 -0.137 0.000 2.666 284 A HA 0.510 4.830 4.320 -0.000 0.000 0.312 284 A C -1.245 176.186 177.584 -0.255 0.000 1.471 284 A CA -1.378 50.549 52.037 -0.184 0.000 1.134 284 A CB 0.379 19.246 19.000 -0.221 0.000 1.129 284 A HN 0.512 nan 8.150 nan 0.000 0.539 285 P HA 0.003 nan 4.420 nan 0.000 0.231 285 P C 0.698 177.946 177.300 -0.087 0.000 1.756 285 P CA -0.006 63.026 63.100 -0.114 0.000 0.990 285 P CB -0.348 31.326 31.700 -0.044 0.000 1.973 286 H N 1.270 120.253 119.070 -0.145 0.000 1.455 286 H HA -0.247 4.309 4.556 -0.000 0.000 0.091 286 H C 0.521 175.661 175.328 -0.313 0.000 1.257 286 H CA 2.174 58.041 56.048 -0.302 0.000 1.900 286 H CB -1.247 28.236 29.762 -0.464 0.000 2.256 286 H HN 0.607 nan 8.280 nan 0.000 0.960 287 H N -0.314 118.839 119.070 0.137 0.000 2.539 287 H HA 0.571 5.127 4.556 -0.000 0.000 0.293 287 H C 0.850 176.199 175.328 0.034 0.000 1.156 287 H CA 0.667 56.753 56.048 0.064 0.000 1.012 287 H CB 0.198 29.987 29.762 0.046 0.000 1.600 287 H HN 0.470 nan 8.280 nan 0.000 0.538 288 A N -0.113 122.765 122.820 0.097 0.000 2.508 288 A HA 0.237 4.557 4.320 -0.000 0.000 0.250 288 A C 1.790 179.394 177.584 0.033 0.000 1.208 288 A CA -0.160 51.909 52.037 0.053 0.000 0.960 288 A CB 0.287 19.304 19.000 0.027 0.000 1.099 288 A HN 0.259 nan 8.150 nan 0.000 0.542 289 I N 0.663 121.256 120.570 0.038 0.000 2.270 289 I HA -0.152 4.018 4.170 -0.000 0.000 0.239 289 I C 2.237 178.375 176.117 0.035 0.000 1.080 289 I CA 1.301 62.614 61.300 0.023 0.000 1.383 289 I CB -0.244 37.763 38.000 0.011 0.000 1.097 289 I HN 0.533 nan 8.210 nan 0.000 0.420 290 E N 1.292 121.528 120.200 0.061 0.000 2.492 290 E HA -0.254 4.096 4.350 -0.000 0.000 0.204 290 E C 1.072 177.686 176.600 0.023 0.000 1.073 290 E CA 0.979 57.408 56.400 0.048 0.000 0.887 290 E CB -0.457 29.285 29.700 0.070 0.000 0.813 290 E HN 0.623 nan 8.360 nan 0.000 0.562 291 E N -0.019 120.194 120.200 0.022 0.000 2.447 291 E HA 0.124 4.474 4.350 -0.000 0.000 0.195 291 E C 1.328 177.927 176.600 -0.002 0.000 1.028 291 E CA 0.494 56.897 56.400 0.004 0.000 0.876 291 E CB 0.534 30.239 29.700 0.008 0.000 0.885 291 E HN 0.403 nan 8.360 nan 0.000 0.500 292 A N 0.454 123.279 122.820 0.009 0.000 2.456 292 A HA 0.083 4.403 4.320 -0.000 0.000 0.237 292 A C 1.624 179.222 177.584 0.024 0.000 1.217 292 A CA -0.269 51.776 52.037 0.014 0.000 0.962 292 A CB 0.313 19.323 19.000 0.017 0.000 1.079 292 A HN 0.055 nan 8.150 nan 0.000 0.536 293 E N 0.901 121.112 120.200 0.020 0.000 2.216 293 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 293 E C 1.940 178.554 176.600 0.022 0.000 0.988 293 E CA 1.313 57.727 56.400 0.024 0.000 0.834 293 E CB 0.106 29.818 29.700 0.020 0.000 0.772 293 E HN 0.679 nan 8.360 nan 0.000 0.479 294 S N 0.463 116.167 115.700 0.007 0.000 2.406 294 S HA -0.129 4.341 4.470 -0.000 0.000 0.228 294 S C 2.019 176.641 174.600 0.037 0.000 1.020 294 S CA 0.438 58.638 58.200 -0.000 0.000 0.965 294 S CB -0.242 62.938 63.200 -0.034 0.000 0.798 294 S HN 0.225 nan 8.310 nan 0.000 0.488 295 L N 1.044 122.285 121.223 0.030 0.000 2.017 295 L HA 0.105 4.445 4.340 -0.000 0.000 0.208 295 L C 2.242 179.175 176.870 0.105 0.000 1.073 295 L CA 1.417 56.286 54.840 0.047 0.000 0.745 295 L CB -0.952 41.128 42.059 0.034 0.000 0.894 295 L HN 0.385 nan 8.230 nan 0.000 0.432 296 L N -0.315 120.972 121.223 0.106 0.000 1.943 296 L HA -0.276 4.063 4.340 -0.000 0.000 0.215 296 L C 2.626 179.575 176.870 0.133 0.000 1.074 296 L CA 2.383 57.298 54.840 0.127 0.000 0.759 296 L CB -1.228 40.884 42.059 0.087 0.000 0.888 296 L HN 0.516 nan 8.230 nan 0.000 0.433 297 Q N -1.029 118.835 119.800 0.107 0.000 2.156 297 Q HA -0.323 4.016 4.340 -0.000 0.000 0.211 297 Q C 2.069 178.161 176.000 0.154 0.000 0.995 297 Q CA 2.636 58.505 55.803 0.110 0.000 0.877 297 Q CB -0.874 27.896 28.738 0.053 0.000 0.920 297 Q HN 0.573 nan 8.270 nan 0.000 0.416 298 F N -0.191 119.749 119.950 -0.016 0.000 2.051 298 F HA -0.158 4.369 4.527 -0.000 0.000 0.296 298 F C 1.940 177.760 175.800 0.032 0.000 1.122 298 F CA 2.453 60.427 58.000 -0.043 0.000 1.201 298 F CB -0.869 38.032 39.000 -0.164 0.000 0.978 298 F HN 0.294 nan 8.300 nan 0.000 0.472 299 H N -0.973 118.004 119.070 -0.156 0.000 2.270 299 H HA -0.121 4.435 4.556 -0.000 0.000 0.299 299 H C 2.235 177.515 175.328 -0.080 0.000 1.077 299 H CA 1.669 57.558 56.048 -0.265 0.000 1.294 299 H CB -0.414 29.294 29.762 -0.090 0.000 1.371 299 H HN 0.115 nan 8.280 nan 0.000 0.491 300 V N 0.715 120.727 119.914 0.162 0.000 2.794 300 V HA -0.292 3.828 4.120 -0.000 0.000 0.260 300 V C 2.115 178.299 176.094 0.151 0.000 1.103 300 V CA 1.574 63.982 62.300 0.180 0.000 1.125 300 V CB -0.836 31.070 31.823 0.139 0.000 0.702 300 V HN 0.558 nan 8.190 nan 0.000 0.494 301 A N -1.227 121.645 122.820 0.087 0.000 1.944 301 A HA -0.027 4.293 4.320 -0.000 0.000 0.207 301 A C 2.255 179.848 177.584 0.015 0.000 1.265 301 A CA 1.155 53.232 52.037 0.067 0.000 0.712 301 A CB -0.535 18.521 19.000 0.094 0.000 0.915 301 A HN 0.346 nan 8.150 nan 0.000 0.470 302 T N -1.273 113.210 114.554 -0.118 0.000 3.025 302 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 302 T C 1.564 176.272 174.700 0.014 0.000 1.126 302 T CA 1.592 63.599 62.100 -0.154 0.000 1.105 302 T CB -0.525 67.997 68.868 -0.577 0.000 0.884 302 T HN 0.517 nan 8.240 nan 0.000 0.522 303 Y N 1.230 121.489 120.300 -0.069 0.000 2.220 303 Y HA 0.103 4.653 4.550 -0.000 0.000 0.291 303 Y C 1.933 177.846 175.900 0.023 0.000 1.129 303 Y CA 1.246 59.334 58.100 -0.021 0.000 1.161 303 Y CB -0.506 37.944 38.460 -0.017 0.000 0.997 303 Y HN 0.237 nan 8.280 nan 0.000 0.522 304 M N -0.583 118.932 119.600 -0.142 0.000 2.248 304 M HA 0.014 4.493 4.480 -0.000 0.000 0.265 304 M C -0.029 176.277 176.300 0.009 0.000 1.079 304 M CA 1.197 56.398 55.300 -0.166 0.000 1.150 304 M CB -0.013 32.530 32.600 -0.096 0.000 1.366 304 M HN 0.078 nan 8.290 nan 0.000 0.433 305 D N -0.652 119.767 120.400 0.032 0.000 2.671 305 D HA 0.252 4.892 4.640 -0.000 0.000 0.232 305 D C -0.843 175.487 176.300 0.050 0.000 1.114 305 D CA -0.136 53.895 54.000 0.053 0.000 0.858 305 D CB 1.659 42.487 40.800 0.046 0.000 1.544 305 D HN -0.135 nan 8.370 nan 0.000 0.471 306 N N 0.998 119.733 118.700 0.058 0.000 2.082 306 N HA 0.065 4.805 4.740 -0.000 0.000 0.228 306 N C -1.224 174.329 175.510 0.071 0.000 1.341 306 N CA -0.016 53.074 53.050 0.066 0.000 0.873 306 N CB 0.837 39.365 38.487 0.067 0.000 1.137 306 N HN 0.307 nan 8.380 nan 0.000 0.505 307 D N 1.381 121.818 120.400 0.061 0.000 2.736 307 D HA 0.270 4.909 4.640 -0.000 0.000 0.293 307 D C 0.344 176.675 176.300 0.051 0.000 1.241 307 D CA -0.048 53.984 54.000 0.054 0.000 0.965 307 D CB 0.895 41.721 40.800 0.043 0.000 0.992 307 D HN 0.309 nan 8.370 nan 0.000 0.510 308 I N -0.672 119.935 120.570 0.062 0.000 3.501 308 I HA 0.420 4.590 4.170 -0.000 0.000 0.297 308 I C 1.612 177.759 176.117 0.051 0.000 1.199 308 I CA -0.962 60.372 61.300 0.057 0.000 0.987 308 I CB 1.029 39.073 38.000 0.073 0.000 1.365 308 I HN -0.035 nan 8.210 nan 0.000 0.574 309 A N 0.987 123.833 122.820 0.045 0.000 2.030 309 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 309 A C 1.612 179.218 177.584 0.037 0.000 1.164 309 A CA 0.743 52.802 52.037 0.037 0.000 0.697 309 A CB -0.810 18.209 19.000 0.031 0.000 0.827 309 A HN 0.876 nan 8.150 nan 0.000 0.457 310 G N -0.169 108.659 108.800 0.046 0.000 3.003 310 G HA2 0.273 4.232 3.960 -0.000 0.000 0.266 310 G HA3 0.273 4.232 3.960 -0.000 0.000 0.266 310 G C 0.600 175.528 174.900 0.046 0.000 0.755 310 G CA 0.277 45.401 45.100 0.040 0.000 2.061 310 G HN 0.569 nan 8.290 nan 0.000 0.599 311 Q N 0.174 119.995 119.800 0.036 0.000 2.377 311 Q HA -0.251 4.089 4.340 -0.000 0.000 0.225 311 Q C -1.018 175.014 176.000 0.052 0.000 1.097 311 Q CA 1.954 57.779 55.803 0.036 0.000 0.985 311 Q CB -1.473 27.276 28.738 0.017 0.000 1.071 311 Q HN 0.454 nan 8.270 nan 0.000 0.505 312 P HA -0.155 nan 4.420 nan 0.000 0.248 312 P C -0.387 177.007 177.300 0.157 0.000 1.127 312 P CA 0.964 64.093 63.100 0.048 0.000 0.801 312 P CB 0.134 31.789 31.700 -0.075 0.000 0.732 313 Q N 3.247 123.127 119.800 0.133 0.000 2.482 313 Q HA 0.022 4.362 4.340 -0.000 0.000 0.209 313 Q C 1.029 177.148 176.000 0.198 0.000 0.961 313 Q CA 0.656 56.546 55.803 0.146 0.000 0.945 313 Q CB -0.112 28.685 28.738 0.098 0.000 1.012 313 Q HN 0.618 nan 8.270 nan 0.000 0.515 314 A N 0.663 123.666 122.820 0.305 0.000 2.745 314 A HA -0.207 4.112 4.320 -0.000 0.000 0.296 314 A C 0.222 177.934 177.584 0.213 0.000 1.500 314 A CA 0.225 52.489 52.037 0.378 0.000 0.766 314 A CB -2.283 16.887 19.000 0.282 0.000 1.030 314 A HN 0.420 nan 8.150 nan 0.000 0.489 315 L N -0.623 120.697 121.223 0.163 0.000 2.503 315 L HA 0.107 4.447 4.340 -0.000 0.000 0.287 315 L C 1.137 178.078 176.870 0.118 0.000 1.252 315 L CA 0.746 55.658 54.840 0.119 0.000 0.835 315 L CB 0.373 42.486 42.059 0.090 0.000 1.099 315 L HN 0.710 nan 8.230 nan 0.000 0.516 316 Q N 3.316 123.177 119.800 0.101 0.000 2.333 316 Q HA 0.193 4.533 4.340 -0.000 0.000 0.268 316 Q C -0.941 175.104 176.000 0.076 0.000 1.007 316 Q CA -0.853 55.007 55.803 0.095 0.000 0.810 316 Q CB 1.299 30.114 28.738 0.128 0.000 1.264 316 Q HN 0.396 nan 8.270 nan 0.000 0.452 317 K N 1.986 122.417 120.400 0.052 0.000 2.475 317 K HA -0.240 4.080 4.320 -0.000 0.000 0.259 317 K C 0.248 176.878 176.600 0.050 0.000 1.029 317 K CA 1.650 57.960 56.287 0.040 0.000 1.137 317 K CB -0.147 32.363 32.500 0.017 0.000 0.774 317 K HN 1.030 nan 8.250 nan 0.000 0.475 318 S N 0.203 115.929 115.700 0.043 0.000 2.163 318 S HA -0.113 4.357 4.470 -0.000 0.000 0.255 318 S C 0.903 175.529 174.600 0.043 0.000 1.361 318 S CA 0.996 59.221 58.200 0.042 0.000 1.162 318 S CB -1.945 61.284 63.200 0.049 0.000 1.460 318 S HN 1.673 nan 8.310 nan 0.000 0.653 319 G N 1.416 110.244 108.800 0.047 0.000 2.179 319 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.260 319 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.260 319 G C -0.079 174.853 174.900 0.053 0.000 0.977 319 G CA 0.532 45.660 45.100 0.047 0.000 0.641 319 G HN 0.988 nan 8.290 nan 0.000 0.533 320 R N 1.160 121.696 120.500 0.060 0.000 2.446 320 R HA 0.248 4.587 4.340 -0.000 0.000 0.314 320 R C -0.729 175.614 176.300 0.073 0.000 1.003 320 R CA -0.879 55.260 56.100 0.064 0.000 1.018 320 R CB 0.534 30.878 30.300 0.073 0.000 0.945 320 R HN 0.122 nan 8.270 nan 0.000 0.419 321 P HA -0.209 nan 4.420 nan 0.000 0.212 321 P C -0.538 176.813 177.300 0.084 0.000 1.174 321 P CA 1.055 64.198 63.100 0.072 0.000 0.934 321 P CB 0.207 31.943 31.700 0.060 0.000 0.791 322 V N -4.091 115.870 119.914 0.078 0.000 2.136 322 V HA -0.064 4.056 4.120 -0.000 0.000 0.326 322 V C -1.062 175.075 176.094 0.072 0.000 1.622 322 V CA -0.703 61.647 62.300 0.084 0.000 0.825 322 V CB 0.132 32.011 31.823 0.094 0.000 1.232 322 V HN 0.012 nan 8.190 nan 0.000 0.274 323 K N 2.533 122.976 120.400 0.070 0.000 2.357 323 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 323 K C 0.181 176.829 176.600 0.080 0.000 1.069 323 K CA 0.041 56.365 56.287 0.062 0.000 0.994 323 K CB 1.392 33.919 32.500 0.045 0.000 1.411 323 K HN 0.855 nan 8.250 nan 0.000 0.450 324 S N 1.887 117.634 115.700 0.078 0.000 2.549 324 S HA 0.082 4.552 4.470 -0.000 0.000 0.286 324 S C 1.564 176.200 174.600 0.060 0.000 1.314 324 S CA -0.557 57.692 58.200 0.082 0.000 1.062 324 S CB 0.368 63.607 63.200 0.064 0.000 0.865 324 S HN 0.493 nan 8.310 nan 0.000 0.498 325 I N 2.155 122.749 120.570 0.041 0.000 2.113 325 I HA -0.366 3.804 4.170 -0.000 0.000 0.242 325 I C 2.943 179.067 176.117 0.011 0.000 1.057 325 I CA 2.413 63.720 61.300 0.012 0.000 1.314 325 I CB -0.586 37.372 38.000 -0.070 0.000 1.022 325 I HN 0.887 nan 8.210 nan 0.000 0.408 326 R N 2.016 122.531 120.500 0.025 0.000 2.112 326 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 326 R C 2.316 178.628 176.300 0.022 0.000 1.137 326 R CA 2.105 58.224 56.100 0.032 0.000 0.944 326 R CB -0.722 29.636 30.300 0.097 0.000 0.857 326 R HN 0.331 nan 8.270 nan 0.000 0.435 327 A N 1.011 123.851 122.820 0.033 0.000 2.104 327 A HA -0.205 4.115 4.320 -0.000 0.000 0.223 327 A C 2.213 179.808 177.584 0.019 0.000 1.164 327 A CA 1.810 53.865 52.037 0.029 0.000 0.659 327 A CB -0.577 18.446 19.000 0.038 0.000 0.808 327 A HN 0.509 nan 8.150 nan 0.000 0.465 328 R N -0.931 119.577 120.500 0.015 0.000 2.093 328 R HA 0.079 4.419 4.340 -0.000 0.000 0.224 328 R C 1.853 178.153 176.300 0.001 0.000 1.101 328 R CA 1.256 57.361 56.100 0.009 0.000 0.979 328 R CB -0.259 30.047 30.300 0.010 0.000 0.877 328 R HN 0.608 nan 8.270 nan 0.000 0.441 329 L N 0.240 121.456 121.223 -0.011 0.000 2.209 329 L HA 0.085 4.425 4.340 -0.000 0.000 0.207 329 L C 0.947 177.808 176.870 -0.015 0.000 1.094 329 L CA 0.182 55.009 54.840 -0.021 0.000 0.790 329 L CB -0.411 41.617 42.059 -0.053 0.000 0.932 329 L HN -0.044 nan 8.230 nan 0.000 0.447 330 K N 2.501 122.895 120.400 -0.011 0.000 2.441 330 K HA -0.002 4.318 4.320 -0.000 0.000 0.273 330 K C 0.745 177.346 176.600 0.002 0.000 1.090 330 K CA 0.159 56.442 56.287 -0.007 0.000 1.158 330 K CB 0.146 32.646 32.500 0.001 0.000 0.847 330 K HN 0.221 nan 8.250 nan 0.000 0.483 331 G N 3.807 112.609 108.800 0.005 0.000 2.552 331 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.228 331 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.228 331 G C -0.518 174.399 174.900 0.028 0.000 1.150 331 G CA 0.359 45.474 45.100 0.024 0.000 0.857 331 G HN 0.880 nan 8.290 nan 0.000 0.512 332 K N 0.776 121.199 120.400 0.039 0.000 7.314 332 K HA -0.211 4.109 4.320 -0.000 0.000 0.694 332 K C 0.842 177.457 176.600 0.025 0.000 2.568 332 K CA 1.355 57.663 56.287 0.036 0.000 1.889 332 K CB -0.375 32.148 32.500 0.038 0.000 2.060 332 K HN 1.027 nan 8.250 nan 0.000 0.284 333 E N -1.611 118.603 120.200 0.024 0.000 3.673 333 E HA -0.215 4.135 4.350 -0.000 0.000 0.309 333 E C 0.395 177.005 176.600 0.016 0.000 0.819 333 E CA 1.824 58.235 56.400 0.019 0.000 1.111 333 E CB -1.718 27.992 29.700 0.018 0.000 1.561 333 E HN 0.869 nan 8.360 nan 0.000 0.450 334 G N -0.673 108.137 108.800 0.016 0.000 2.619 334 G HA2 0.463 4.422 3.960 -0.000 0.000 0.296 334 G HA3 0.463 4.422 3.960 -0.000 0.000 0.296 334 G C 0.474 175.380 174.900 0.010 0.000 1.334 334 G CA -0.071 45.037 45.100 0.012 0.000 0.934 334 G HN -0.050 nan 8.290 nan 0.000 0.476 335 R N -0.153 120.350 120.500 0.006 0.000 2.305 335 R HA -0.280 4.060 4.340 -0.000 0.000 0.226 335 R C 2.426 178.730 176.300 0.007 0.000 1.105 335 R CA 2.280 58.383 56.100 0.004 0.000 0.832 335 R CB -0.761 29.538 30.300 -0.001 0.000 0.982 335 R HN 0.524 nan 8.270 nan 0.000 0.391 336 I N -0.288 120.285 120.570 0.005 0.000 2.090 336 I HA -0.226 3.944 4.170 -0.000 0.000 0.236 336 I C 2.474 178.603 176.117 0.021 0.000 1.064 336 I CA 1.769 63.076 61.300 0.012 0.000 1.324 336 I CB -1.116 36.890 38.000 0.009 0.000 1.044 336 I HN 0.357 nan 8.210 nan 0.000 0.399 337 R N 0.468 120.984 120.500 0.027 0.000 2.200 337 R HA -0.011 4.329 4.340 -0.000 0.000 0.208 337 R C 2.092 178.409 176.300 0.028 0.000 1.033 337 R CA 0.973 57.095 56.100 0.035 0.000 1.000 337 R CB -0.025 30.306 30.300 0.052 0.000 0.906 337 R HN 0.426 nan 8.270 nan 0.000 0.462 338 G N -0.479 108.335 108.800 0.023 0.000 2.662 338 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.212 338 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.212 338 G C 0.935 175.845 174.900 0.017 0.000 1.141 338 G CA -0.050 45.063 45.100 0.021 0.000 0.797 338 G HN 0.250 nan 8.290 nan 0.000 0.531 339 N N -0.309 118.400 118.700 0.014 0.000 2.460 339 N HA 0.186 4.925 4.740 -0.000 0.000 0.193 339 N C 1.943 177.459 175.510 0.011 0.000 1.080 339 N CA 0.077 53.135 53.050 0.012 0.000 0.869 339 N CB 0.403 38.895 38.487 0.008 0.000 1.201 339 N HN 0.219 nan 8.380 nan 0.000 0.457 340 L N 0.396 121.625 121.223 0.010 0.000 2.189 340 L HA 0.193 4.533 4.340 -0.000 0.000 0.199 340 L C 1.856 178.730 176.870 0.006 0.000 1.074 340 L CA 0.579 55.424 54.840 0.008 0.000 0.783 340 L CB -0.206 41.858 42.059 0.009 0.000 0.955 340 L HN -0.021 nan 8.230 nan 0.000 0.460 341 M N -0.244 119.362 119.600 0.011 0.000 2.476 341 M HA 0.142 4.622 4.480 -0.000 0.000 0.262 341 M C 0.752 177.054 176.300 0.003 0.000 1.079 341 M CA 0.477 55.781 55.300 0.007 0.000 1.104 341 M CB -0.926 31.683 32.600 0.015 0.000 1.409 341 M HN 0.208 nan 8.290 nan 0.000 0.467 342 G N 0.756 109.561 108.800 0.008 0.000 2.684 342 G HA2 0.508 4.468 3.960 -0.000 0.000 0.289 342 G HA3 0.508 4.468 3.960 -0.000 0.000 0.289 342 G C -1.024 173.885 174.900 0.016 0.000 1.416 342 G CA -0.661 44.445 45.100 0.010 0.000 1.235 342 G HN 0.098 nan 8.290 nan 0.000 0.576 343 K N 0.974 121.385 120.400 0.019 0.000 2.295 343 K HA 0.621 4.941 4.320 -0.000 0.000 0.239 343 K C 0.236 176.861 176.600 0.043 0.000 0.991 343 K CA -0.888 55.415 56.287 0.027 0.000 0.845 343 K CB 2.368 34.883 32.500 0.025 0.000 1.197 343 K HN 0.424 nan 8.250 nan 0.000 0.441 344 R N 0.332 120.861 120.500 0.047 0.000 2.543 344 R HA 0.463 4.803 4.340 -0.000 0.000 0.268 344 R C -0.402 175.946 176.300 0.081 0.000 1.067 344 R CA -0.758 55.381 56.100 0.064 0.000 1.142 344 R CB 0.954 31.283 30.300 0.050 0.000 1.110 344 R HN 0.425 nan 8.270 nan 0.000 0.549 345 V N -2.358 117.625 119.914 0.116 0.000 3.114 345 V HA 0.460 4.579 4.120 -0.000 0.000 0.308 345 V C -0.968 175.224 176.094 0.164 0.000 1.168 345 V CA -1.255 61.133 62.300 0.147 0.000 1.015 345 V CB 2.325 34.259 31.823 0.185 0.000 1.050 345 V HN 0.555 nan 8.190 nan 0.000 0.433 346 D N 1.125 121.654 120.400 0.215 0.000 2.348 346 D HA 0.545 5.185 4.640 -0.000 0.000 0.249 346 D C -0.167 176.376 176.300 0.405 0.000 1.110 346 D CA 0.169 54.279 54.000 0.184 0.000 0.967 346 D CB 0.732 41.650 40.800 0.196 0.000 1.139 346 D HN 0.756 nan 8.370 nan 0.000 0.466 347 F N -0.696 119.297 119.950 0.072 0.000 2.985 347 F HA -0.237 4.289 4.527 -0.000 0.000 0.303 347 F C 0.068 175.918 175.800 0.084 0.000 0.976 347 F CA 0.037 58.087 58.000 0.083 0.000 1.013 347 F CB -2.310 36.746 39.000 0.094 0.000 1.060 347 F HN 0.121 nan 8.300 nan 0.000 0.780 348 S N -1.140 114.639 115.700 0.132 0.000 2.570 348 S HA 1.020 5.490 4.470 -0.000 0.000 0.286 348 S C -0.297 174.308 174.600 0.008 0.000 1.099 348 S CA -0.379 57.828 58.200 0.011 0.000 0.913 348 S CB 2.718 65.923 63.200 0.008 0.000 1.085 348 S HN 1.186 nan 8.310 nan 0.000 0.480 349 A N 1.127 123.949 122.820 0.004 0.000 2.569 349 A HA 0.963 5.283 4.320 -0.000 0.000 0.290 349 A C -0.848 176.867 177.584 0.218 0.000 1.136 349 A CA -1.014 51.103 52.037 0.133 0.000 0.710 349 A CB 1.808 20.962 19.000 0.256 0.000 1.303 349 A HN 1.056 nan 8.150 nan 0.000 0.413 350 R N -0.026 120.652 120.500 0.297 0.000 2.647 350 R HA 0.552 4.892 4.340 -0.000 0.000 0.260 350 R C -1.179 175.284 176.300 0.271 0.000 1.154 350 R CA 0.529 56.845 56.100 0.360 0.000 1.029 350 R CB 1.429 31.817 30.300 0.146 0.000 1.262 350 R HN 1.516 nan 8.270 nan 0.000 0.437 351 T N -0.986 113.799 114.554 0.385 0.000 2.648 351 T HA 0.411 4.761 4.350 -0.000 0.000 0.304 351 T C -0.748 174.079 174.700 0.210 0.000 1.312 351 T CA -0.640 61.538 62.100 0.131 0.000 1.023 351 T CB 1.107 69.879 68.868 -0.159 0.000 1.612 351 T HN 0.184 nan 8.240 nan 0.000 0.487 352 V N 1.910 121.889 119.914 0.109 0.000 2.881 352 V HA 0.512 4.632 4.120 -0.000 0.000 0.303 352 V C 0.618 176.822 176.094 0.184 0.000 1.070 352 V CA -0.426 61.951 62.300 0.128 0.000 1.074 352 V CB 0.672 32.539 31.823 0.073 0.000 1.012 352 V HN 0.890 nan 8.190 nan 0.000 0.482 353 I N 1.034 121.736 120.570 0.219 0.000 2.910 353 I HA 0.932 5.102 4.170 -0.000 0.000 0.310 353 I C -0.295 175.914 176.117 0.154 0.000 1.043 353 I CA -0.273 61.178 61.300 0.251 0.000 1.053 353 I CB 2.533 40.739 38.000 0.343 0.000 1.242 353 I HN 0.627 nan 8.210 nan 0.000 0.452 354 S N 1.290 116.914 115.700 -0.127 0.000 2.656 354 S HA 0.737 5.207 4.470 -0.000 0.000 0.273 354 S C -0.414 173.492 174.600 -1.157 0.000 1.168 354 S CA -0.673 57.085 58.200 -0.736 0.000 0.817 354 S CB 1.216 64.191 63.200 -0.374 0.000 1.146 354 S HN 1.089 nan 8.310 nan 0.000 0.475 355 G N 0.005 107.970 108.800 -1.392 0.000 2.332 355 G HA2 0.550 4.510 3.960 -0.000 0.000 0.310 355 G HA3 0.550 4.510 3.960 -0.000 0.000 0.310 355 G C -1.492 173.229 174.900 -0.298 0.000 1.123 355 G CA -0.187 44.468 45.100 -0.742 0.000 0.873 355 G HN 0.512 nan 8.290 nan 0.000 0.460 356 D N 2.893 123.206 120.400 -0.145 0.000 2.420 356 D HA 0.271 4.911 4.640 -0.000 0.000 0.255 356 D C -1.663 174.627 176.300 -0.015 0.000 1.185 356 D CA -1.575 52.379 54.000 -0.076 0.000 0.904 356 D CB 2.506 43.268 40.800 -0.064 0.000 1.102 356 D HN 0.154 nan 8.370 nan 0.000 0.534 357 P HA 0.022 nan 4.420 nan 0.000 0.259 357 P C 0.239 177.562 177.300 0.038 0.000 1.307 357 P CA 0.288 63.402 63.100 0.024 0.000 0.768 357 P CB 0.434 32.143 31.700 0.015 0.000 1.199 358 N N -0.898 117.826 118.700 0.041 0.000 2.159 358 N HA 0.187 4.927 4.740 -0.000 0.000 0.217 358 N C 0.463 176.007 175.510 0.057 0.000 1.223 358 N CA -0.026 53.068 53.050 0.073 0.000 0.896 358 N CB 0.972 39.509 38.487 0.083 0.000 1.064 358 N HN 0.224 nan 8.380 nan 0.000 0.518 359 L N 0.867 122.113 121.223 0.038 0.000 2.365 359 L HA 0.374 4.714 4.340 -0.000 0.000 0.267 359 L C 0.661 177.556 176.870 0.041 0.000 1.033 359 L CA -0.768 54.091 54.840 0.031 0.000 0.802 359 L CB 0.897 42.966 42.059 0.016 0.000 1.267 359 L HN -0.147 nan 8.230 nan 0.000 0.457 360 E N 0.362 120.584 120.200 0.036 0.000 2.342 360 E HA 0.081 4.431 4.350 -0.000 0.000 0.257 360 E C 0.631 177.237 176.600 0.010 0.000 1.150 360 E CA -0.466 55.953 56.400 0.031 0.000 0.926 360 E CB 1.050 30.768 29.700 0.030 0.000 1.074 360 E HN 0.392 nan 8.360 nan 0.000 0.449 361 L N 1.875 123.067 121.223 -0.051 0.000 1.970 361 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 361 L C 1.398 178.249 176.870 -0.033 0.000 1.071 361 L CA 2.363 57.121 54.840 -0.136 0.000 0.751 361 L CB -0.633 41.197 42.059 -0.381 0.000 0.889 361 L HN 0.509 nan 8.230 nan 0.000 0.432 362 D N -1.215 119.151 120.400 -0.056 0.000 2.351 362 D HA -0.149 4.491 4.640 -0.000 0.000 0.216 362 D C 0.695 177.067 176.300 0.121 0.000 0.968 362 D CA 0.486 54.441 54.000 -0.074 0.000 0.899 362 D CB -0.526 40.222 40.800 -0.087 0.000 0.907 362 D HN 0.552 nan 8.370 nan 0.000 0.514 363 Q N -0.209 119.679 119.800 0.148 0.000 2.317 363 Q HA 0.455 4.794 4.340 -0.000 0.000 0.229 363 Q C -0.650 175.417 176.000 0.112 0.000 0.984 363 Q CA -0.699 55.180 55.803 0.127 0.000 0.911 363 Q CB 2.644 31.409 28.738 0.044 0.000 1.217 363 Q HN 0.055 nan 8.270 nan 0.000 0.501 364 V N 0.067 119.934 119.914 -0.080 0.000 2.559 364 V HA 0.479 4.599 4.120 -0.000 0.000 0.289 364 V C -0.586 175.381 176.094 -0.212 0.000 1.036 364 V CA -0.434 61.666 62.300 -0.333 0.000 0.887 364 V CB 1.325 32.655 31.823 -0.822 0.000 1.022 364 V HN 0.827 nan 8.190 nan 0.000 0.442 365 G N 6.285 115.004 108.800 -0.134 0.000 2.367 365 G HA2 0.449 4.409 3.960 -0.000 0.000 0.282 365 G HA3 0.449 4.409 3.960 -0.000 0.000 0.282 365 G C -0.241 174.639 174.900 -0.035 0.000 1.140 365 G CA -0.005 45.052 45.100 -0.071 0.000 1.088 365 G HN 0.970 nan 8.290 nan 0.000 0.431 366 V N 5.945 125.839 119.914 -0.033 0.000 2.567 366 V HA 0.349 4.469 4.120 -0.000 0.000 0.289 366 V C -1.601 174.424 176.094 -0.115 0.000 1.049 366 V CA -1.651 60.644 62.300 -0.009 0.000 0.969 366 V CB 1.850 33.684 31.823 0.018 0.000 0.995 366 V HN 0.623 nan 8.190 nan 0.000 0.471 367 P HA 0.222 nan 4.420 nan 0.000 0.282 367 P C 0.375 177.548 177.300 -0.211 0.000 1.249 367 P CA -0.572 62.408 63.100 -0.200 0.000 0.806 367 P CB 1.477 33.038 31.700 -0.231 0.000 0.984 368 K N 2.174 122.433 120.400 -0.235 0.000 2.032 368 K HA -0.270 4.050 4.320 -0.000 0.000 0.218 368 K C 2.088 178.555 176.600 -0.221 0.000 1.054 368 K CA 2.683 58.791 56.287 -0.298 0.000 0.941 368 K CB -0.802 31.520 32.500 -0.297 0.000 0.720 368 K HN 0.416 nan 8.250 nan 0.000 0.449 369 S N 0.368 115.954 115.700 -0.191 0.000 2.408 369 S HA -0.237 4.232 4.470 -0.000 0.000 0.241 369 S C 1.836 176.357 174.600 -0.133 0.000 1.080 369 S CA 2.112 60.218 58.200 -0.156 0.000 1.109 369 S CB -0.513 62.593 63.200 -0.155 0.000 0.966 369 S HN 0.418 nan 8.310 nan 0.000 0.449 370 I N 1.413 121.896 120.570 -0.145 0.000 2.277 370 I HA -0.007 4.163 4.170 -0.000 0.000 0.243 370 I C 2.977 179.078 176.117 -0.028 0.000 1.094 370 I CA 0.901 62.147 61.300 -0.090 0.000 1.393 370 I CB -1.145 36.783 38.000 -0.119 0.000 1.078 370 I HN 0.418 nan 8.210 nan 0.000 0.417 371 A N 1.845 124.640 122.820 -0.043 0.000 1.903 371 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 371 A C 2.265 179.888 177.584 0.065 0.000 1.191 371 A CA 2.075 54.140 52.037 0.046 0.000 0.638 371 A CB -0.702 18.306 19.000 0.013 0.000 0.823 371 A HN 0.405 nan 8.150 nan 0.000 0.451 372 K N -1.061 119.270 120.400 -0.115 0.000 2.515 372 K HA -0.032 4.288 4.320 -0.000 0.000 0.196 372 K C 1.259 177.898 176.600 0.064 0.000 1.038 372 K CA 1.359 57.436 56.287 -0.349 0.000 0.967 372 K CB -0.115 32.171 32.500 -0.357 0.000 0.780 372 K HN 0.566 nan 8.250 nan 0.000 0.483 373 T N 0.317 114.911 114.554 0.067 0.000 3.000 373 T HA 0.171 4.521 4.350 -0.000 0.000 0.248 373 T C 0.512 175.258 174.700 0.077 0.000 1.034 373 T CA -0.001 62.134 62.100 0.058 0.000 1.060 373 T CB 0.311 69.175 68.868 -0.006 0.000 0.983 373 T HN -0.032 nan 8.240 nan 0.000 0.482 374 L N 2.288 123.586 121.223 0.125 0.000 2.312 374 L HA 0.556 4.895 4.340 -0.000 0.000 0.281 374 L C 0.321 177.340 176.870 0.249 0.000 1.070 374 L CA -0.498 54.441 54.840 0.166 0.000 0.805 374 L CB 1.322 43.492 42.059 0.184 0.000 1.174 374 L HN 0.037 nan 8.230 nan 0.000 0.434 375 T N 1.066 115.807 114.554 0.313 0.000 2.848 375 T HA 0.372 4.722 4.350 -0.000 0.000 0.285 375 T C -1.164 173.738 174.700 0.338 0.000 0.995 375 T CA -0.499 61.779 62.100 0.296 0.000 0.970 375 T CB 0.886 69.888 68.868 0.224 0.000 0.976 375 T HN 0.383 nan 8.240 nan 0.000 0.441 376 Y N 7.509 127.897 120.300 0.147 0.000 2.434 376 Y HA 0.484 5.034 4.550 -0.000 0.000 0.341 376 Y C -2.344 173.587 175.900 0.053 0.000 0.965 376 Y CA -2.805 55.344 58.100 0.081 0.000 1.205 376 Y CB 1.427 39.922 38.460 0.059 0.000 1.121 376 Y HN 0.470 nan 8.280 nan 0.000 0.507 377 P HA -0.012 nan 4.420 nan 0.000 0.264 377 P C -0.691 176.271 177.300 -0.564 0.000 1.236 377 P CA 0.390 63.230 63.100 -0.434 0.000 0.811 377 P CB 0.740 32.237 31.700 -0.337 0.000 0.840 378 E N 2.908 123.015 120.200 -0.154 0.000 2.250 378 E HA 0.365 4.715 4.350 -0.000 0.000 0.269 378 E C -0.846 175.772 176.600 0.030 0.000 1.018 378 E CA -0.966 55.472 56.400 0.063 0.000 0.873 378 E CB 1.145 30.968 29.700 0.204 0.000 1.134 378 E HN 0.111 nan 8.360 nan 0.000 0.403 379 V N 3.487 123.441 119.914 0.067 0.000 2.394 379 V HA 0.182 4.302 4.120 -0.000 0.000 0.282 379 V C -0.136 175.979 176.094 0.036 0.000 1.031 379 V CA -0.953 61.376 62.300 0.049 0.000 0.881 379 V CB 1.412 33.266 31.823 0.052 0.000 0.982 379 V HN 0.539 nan 8.190 nan 0.000 0.451 380 V N 5.132 125.058 119.914 0.020 0.000 2.458 380 V HA 0.187 4.306 4.120 -0.000 0.000 0.287 380 V C 0.614 176.622 176.094 -0.142 0.000 1.009 380 V CA 1.162 63.420 62.300 -0.071 0.000 1.091 380 V CB 0.646 32.412 31.823 -0.094 0.000 0.960 380 V HN 1.070 nan 8.190 nan 0.000 0.476 381 T N 8.023 122.471 114.554 -0.176 0.000 2.923 381 T HA 0.373 4.722 4.350 -0.000 0.000 0.311 381 T C -1.808 172.764 174.700 -0.214 0.000 1.183 381 T CA -0.746 61.239 62.100 -0.192 0.000 1.020 381 T CB 2.334 71.097 68.868 -0.176 0.000 1.165 381 T HN 0.397 nan 8.240 nan 0.000 0.482 382 P HA -0.210 nan 4.420 nan 0.000 0.218 382 P C 0.988 178.302 177.300 0.024 0.000 1.150 382 P CA 1.682 64.814 63.100 0.054 0.000 0.841 382 P CB -0.040 31.718 31.700 0.096 0.000 0.784 383 Y N 1.051 121.391 120.300 0.067 0.000 2.274 383 Y HA -0.208 4.341 4.550 -0.000 0.000 0.290 383 Y C 2.416 178.325 175.900 0.016 0.000 1.145 383 Y CA 1.109 59.231 58.100 0.036 0.000 1.203 383 Y CB -0.891 37.589 38.460 0.033 0.000 0.984 383 Y HN 0.230 nan 8.280 nan 0.000 0.533 384 N N -1.285 117.480 118.700 0.109 0.000 2.516 384 N HA -0.048 4.692 4.740 -0.000 0.000 0.197 384 N C 1.381 176.882 175.510 -0.016 0.000 1.064 384 N CA 0.138 53.218 53.050 0.050 0.000 0.866 384 N CB -0.621 37.898 38.487 0.053 0.000 1.255 384 N HN -0.002 nan 8.380 nan 0.000 0.447 385 I N 2.469 122.985 120.570 -0.090 0.000 2.404 385 I HA -0.446 3.723 4.170 -0.000 0.000 0.236 385 I C 1.169 177.241 176.117 -0.075 0.000 0.953 385 I CA 2.060 63.275 61.300 -0.143 0.000 1.253 385 I CB -0.898 36.962 38.000 -0.233 0.000 0.960 385 I HN 0.349 nan 8.210 nan 0.000 0.402 386 D N -0.314 120.063 120.400 -0.038 0.000 2.137 386 D HA -0.259 4.380 4.640 -0.000 0.000 0.193 386 D C 2.129 178.421 176.300 -0.014 0.000 0.993 386 D CA 1.817 55.806 54.000 -0.020 0.000 0.846 386 D CB -0.522 40.278 40.800 0.000 0.000 0.990 386 D HN 0.400 nan 8.370 nan 0.000 0.448 387 R N 0.672 121.171 120.500 -0.002 0.000 2.117 387 R HA -0.127 4.213 4.340 -0.000 0.000 0.243 387 R C 2.638 178.936 176.300 -0.004 0.000 1.143 387 R CA 0.771 56.871 56.100 0.001 0.000 0.968 387 R CB -0.356 29.951 30.300 0.013 0.000 0.863 387 R HN 0.174 nan 8.270 nan 0.000 0.444 388 L N -0.190 121.028 121.223 -0.008 0.000 1.973 388 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 388 L C 2.335 179.196 176.870 -0.016 0.000 1.073 388 L CA 2.078 56.912 54.840 -0.009 0.000 0.746 388 L CB -0.579 41.471 42.059 -0.016 0.000 0.891 388 L HN 0.322 nan 8.230 nan 0.000 0.433 389 T N -1.239 113.298 114.554 -0.028 0.000 2.685 389 T HA -0.359 3.991 4.350 -0.000 0.000 0.268 389 T C 1.629 176.319 174.700 -0.016 0.000 1.034 389 T CA 1.773 63.858 62.100 -0.024 0.000 1.149 389 T CB -0.382 68.464 68.868 -0.037 0.000 0.860 389 T HN 0.238 nan 8.240 nan 0.000 0.449 390 Q N 1.132 120.923 119.800 -0.016 0.000 2.062 390 Q HA -0.136 4.204 4.340 -0.000 0.000 0.209 390 Q C 2.086 178.077 176.000 -0.015 0.000 0.996 390 Q CA 1.729 57.524 55.803 -0.013 0.000 0.859 390 Q CB -0.834 27.898 28.738 -0.011 0.000 0.920 390 Q HN 0.609 nan 8.270 nan 0.000 0.415 391 L N -0.899 120.313 121.223 -0.019 0.000 1.955 391 L HA -0.230 4.110 4.340 -0.000 0.000 0.213 391 L C 2.356 179.207 176.870 -0.031 0.000 1.072 391 L CA 1.501 56.324 54.840 -0.028 0.000 0.755 391 L CB -1.070 40.968 42.059 -0.036 0.000 0.888 391 L HN 0.151 nan 8.230 nan 0.000 0.432 392 V N -0.179 119.718 119.914 -0.029 0.000 2.242 392 V HA -0.434 3.686 4.120 -0.000 0.000 0.257 392 V C 2.624 178.706 176.094 -0.019 0.000 1.073 392 V CA 2.351 64.636 62.300 -0.024 0.000 1.058 392 V CB -0.924 30.900 31.823 0.001 0.000 0.664 392 V HN 0.429 nan 8.190 nan 0.000 0.451 393 R N -0.087 120.407 120.500 -0.011 0.000 2.080 393 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 393 R C 2.269 178.565 176.300 -0.007 0.000 1.137 393 R CA 1.685 57.781 56.100 -0.006 0.000 0.943 393 R CB -0.605 29.692 30.300 -0.005 0.000 0.846 393 R HN 0.584 nan 8.270 nan 0.000 0.431 394 N N 0.453 119.148 118.700 -0.009 0.000 2.493 394 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 394 N C 0.870 176.383 175.510 0.005 0.000 1.041 394 N CA 1.253 54.302 53.050 -0.002 0.000 0.904 394 N CB -0.104 38.381 38.487 -0.003 0.000 0.948 394 N HN 0.400 nan 8.380 nan 0.000 0.446 395 G N 0.570 109.365 108.800 -0.009 0.000 2.796 395 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.226 395 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.226 395 G C -2.539 172.364 174.900 0.005 0.000 1.381 395 G CA -0.249 44.843 45.100 -0.013 0.000 0.867 395 G HN 0.159 nan 8.290 nan 0.000 0.552 396 P HA 0.322 nan 4.420 nan 0.000 0.253 396 P C 0.084 177.477 177.300 0.154 0.000 1.863 396 P CA -0.240 62.919 63.100 0.099 0.000 1.145 396 P CB 0.198 31.847 31.700 -0.085 0.000 1.666 397 N N -0.816 117.948 118.700 0.106 0.000 2.249 397 N HA 0.063 4.802 4.740 -0.000 0.000 0.239 397 N C 0.333 175.854 175.510 0.018 0.000 1.185 397 N CA 0.055 53.128 53.050 0.038 0.000 0.825 397 N CB 0.409 38.905 38.487 0.014 0.000 1.372 397 N HN 0.116 nan 8.380 nan 0.000 0.472 398 E N 0.228 120.451 120.200 0.038 0.000 2.373 398 E HA 0.015 4.365 4.350 -0.000 0.000 0.263 398 E C 0.228 176.847 176.600 0.031 0.000 1.073 398 E CA -0.109 56.307 56.400 0.027 0.000 0.894 398 E CB 1.143 30.856 29.700 0.023 0.000 1.008 398 E HN 0.269 nan 8.360 nan 0.000 0.420 399 H N 3.949 122.982 119.070 -0.061 0.000 2.780 399 H HA -0.045 4.511 4.556 -0.000 0.000 0.301 399 H C -1.594 173.741 175.328 0.011 0.000 1.020 399 H CA 1.033 57.017 56.048 -0.107 0.000 1.110 399 H CB -1.207 28.496 29.762 -0.097 0.000 1.504 399 H HN 0.334 nan 8.280 nan 0.000 0.728 400 P HA 0.046 nan 4.420 nan 0.000 0.212 400 P C -0.480 176.749 177.300 -0.118 0.000 1.069 400 P CA 1.303 64.159 63.100 -0.408 0.000 1.331 400 P CB -0.446 31.154 31.700 -0.167 0.000 1.513 401 G N 0.687 109.522 108.800 0.058 0.000 3.085 401 G HA2 0.834 4.794 3.960 -0.000 0.000 0.264 401 G HA3 0.834 4.794 3.960 -0.000 0.000 0.264 401 G C -1.590 173.205 174.900 -0.174 0.000 1.206 401 G CA -0.133 45.010 45.100 0.073 0.000 0.809 401 G HN 0.446 nan 8.290 nan 0.000 0.592 402 A N -1.163 121.438 122.820 -0.365 0.000 2.568 402 A HA 0.815 5.135 4.320 -0.000 0.000 0.291 402 A C -0.635 176.671 177.584 -0.464 0.000 1.159 402 A CA 0.093 51.851 52.037 -0.466 0.000 0.679 402 A CB 1.382 20.268 19.000 -0.189 0.000 1.285 402 A HN 1.293 nan 8.150 nan 0.000 0.428 403 K N -0.752 119.431 120.400 -0.363 0.000 2.788 403 K HA 0.570 4.890 4.320 -0.000 0.000 0.190 403 K C -1.325 174.964 176.600 -0.517 0.000 1.143 403 K CA -0.159 55.878 56.287 -0.417 0.000 1.099 403 K CB 0.314 32.541 32.500 -0.456 0.000 0.767 403 K HN 0.630 nan 8.250 nan 0.000 0.466 404 Y N -0.636 119.591 120.300 -0.122 0.000 2.643 404 Y HA 0.234 4.784 4.550 -0.000 0.000 0.347 404 Y C -1.452 174.396 175.900 -0.086 0.000 1.208 404 Y CA -1.363 56.675 58.100 -0.103 0.000 1.245 404 Y CB 1.866 40.269 38.460 -0.095 0.000 1.369 404 Y HN -0.158 nan 8.280 nan 0.000 0.487 405 V N 4.676 124.650 119.914 0.100 0.000 2.876 405 V HA 0.658 4.778 4.120 -0.000 0.000 0.312 405 V C -0.789 175.234 176.094 -0.119 0.000 1.085 405 V CA -0.793 61.516 62.300 0.015 0.000 0.945 405 V CB 2.322 34.177 31.823 0.053 0.000 1.017 405 V HN 0.525 nan 8.190 nan 0.000 0.428 406 I N 1.494 121.940 120.570 -0.206 0.000 2.534 406 I HA 0.683 4.853 4.170 -0.000 0.000 0.288 406 I C -0.445 175.257 176.117 -0.692 0.000 1.077 406 I CA -0.906 60.169 61.300 -0.376 0.000 1.051 406 I CB 2.073 39.924 38.000 -0.248 0.000 1.234 406 I HN 0.467 nan 8.210 nan 0.000 0.425 407 R N 2.349 122.257 120.500 -0.987 0.000 2.543 407 R HA 0.271 4.610 4.340 -0.000 0.000 0.268 407 R C 0.555 176.517 176.300 -0.564 0.000 1.067 407 R CA -0.545 54.710 56.100 -1.408 0.000 1.142 407 R CB 0.674 30.257 30.300 -1.195 0.000 1.110 407 R HN 0.728 nan 8.270 nan 0.000 0.549 408 D N -0.014 120.217 120.400 -0.281 0.000 2.228 408 D HA -0.230 4.410 4.640 -0.000 0.000 0.203 408 D C 1.129 177.379 176.300 -0.084 0.000 0.988 408 D CA 1.575 55.542 54.000 -0.055 0.000 0.864 408 D CB -0.297 40.563 40.800 0.101 0.000 0.928 408 D HN 0.477 nan 8.370 nan 0.000 0.469 409 S N -0.455 115.180 115.700 -0.108 0.000 2.653 409 S HA 0.157 4.626 4.470 -0.000 0.000 0.233 409 S C 1.584 176.121 174.600 -0.105 0.000 0.970 409 S CA 0.068 58.217 58.200 -0.085 0.000 0.947 409 S CB -1.179 61.976 63.200 -0.076 0.000 0.771 409 S HN 0.643 nan 8.310 nan 0.000 0.538 410 G N 0.882 109.600 108.800 -0.138 0.000 2.354 410 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.278 410 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.278 410 G C -0.595 174.224 174.900 -0.134 0.000 0.953 410 G CA 0.284 45.307 45.100 -0.128 0.000 1.346 410 G HN 0.781 nan 8.290 nan 0.000 0.467 411 D N -0.373 119.918 120.400 -0.182 0.000 2.886 411 D HA 0.435 5.075 4.640 -0.000 0.000 0.216 411 D C 0.456 176.636 176.300 -0.200 0.000 1.256 411 D CA -0.776 53.126 54.000 -0.164 0.000 0.844 411 D CB 1.019 41.735 40.800 -0.139 0.000 1.669 411 D HN 0.482 nan 8.370 nan 0.000 0.513 412 R N 2.614 123.007 120.500 -0.179 0.000 2.531 412 R HA 0.617 4.956 4.340 -0.000 0.000 0.273 412 R C -0.093 176.151 176.300 -0.094 0.000 1.070 412 R CA -0.594 55.390 56.100 -0.194 0.000 1.112 412 R CB 1.076 31.197 30.300 -0.298 0.000 1.049 412 R HN 0.426 nan 8.270 nan 0.000 0.508 413 I N 1.638 122.200 120.570 -0.014 0.000 2.466 413 I HA 0.043 4.213 4.170 -0.000 0.000 0.279 413 I C -0.383 175.835 176.117 0.169 0.000 1.033 413 I CA -0.616 60.708 61.300 0.041 0.000 1.123 413 I CB 1.594 39.587 38.000 -0.011 0.000 1.237 413 I HN 0.473 nan 8.210 nan 0.000 0.460 414 D N 7.068 127.559 120.400 0.151 0.000 2.540 414 D HA 0.059 4.699 4.640 -0.000 0.000 0.237 414 D C 1.387 177.605 176.300 -0.137 0.000 1.181 414 D CA 0.244 54.271 54.000 0.045 0.000 1.119 414 D CB 0.557 41.343 40.800 -0.024 0.000 1.119 414 D HN 0.519 nan 8.370 nan 0.000 0.498 415 L N 2.323 123.452 121.223 -0.156 0.000 2.468 415 L HA -0.242 4.098 4.340 -0.000 0.000 0.225 415 L C 2.239 179.013 176.870 -0.161 0.000 1.139 415 L CA 1.143 55.901 54.840 -0.137 0.000 0.792 415 L CB -0.234 41.738 42.059 -0.146 0.000 0.916 415 L HN 0.362 nan 8.230 nan 0.000 0.446 416 R N -2.059 118.257 120.500 -0.307 0.000 2.276 416 R HA 0.034 4.373 4.340 -0.000 0.000 0.196 416 R C 0.738 177.078 176.300 0.066 0.000 0.961 416 R CA 0.461 56.415 56.100 -0.244 0.000 1.024 416 R CB -0.049 29.986 30.300 -0.442 0.000 0.940 416 R HN 0.354 nan 8.270 nan 0.000 0.480 417 Y N 0.308 120.586 120.300 -0.036 0.000 2.560 417 Y HA 0.189 4.739 4.550 -0.000 0.000 0.101 417 Y C 0.572 176.468 175.900 -0.007 0.000 0.908 417 Y CA -1.127 56.963 58.100 -0.017 0.000 1.810 417 Y CB -0.188 38.267 38.460 -0.008 0.000 1.135 417 Y HN -0.069 nan 8.280 nan 0.000 0.244 418 S N 2.321 118.151 115.700 0.218 0.000 3.964 418 S HA -0.237 4.233 4.470 -0.000 0.000 0.265 418 S C 0.911 175.557 174.600 0.076 0.000 0.774 418 S CA 0.613 58.879 58.200 0.110 0.000 1.337 418 S CB -0.572 62.674 63.200 0.076 0.000 1.768 418 S HN 0.640 nan 8.310 nan 0.000 0.414 419 K N 4.070 124.506 120.400 0.060 0.000 2.159 419 K HA -0.278 4.042 4.320 -0.000 0.000 0.217 419 K C 1.256 177.879 176.600 0.038 0.000 1.048 419 K CA 2.363 58.675 56.287 0.041 0.000 0.941 419 K CB -0.451 32.067 32.500 0.029 0.000 0.738 419 K HN 0.731 nan 8.250 nan 0.000 0.469 420 R N 0.964 121.488 120.500 0.041 0.000 2.535 420 R HA 0.192 4.532 4.340 -0.000 0.000 0.233 420 R C 1.804 178.129 176.300 0.042 0.000 1.202 420 R CA 0.126 56.250 56.100 0.041 0.000 1.205 420 R CB -0.050 30.278 30.300 0.047 0.000 1.153 420 R HN 0.413 nan 8.270 nan 0.000 0.512 421 A N 1.045 123.888 122.820 0.039 0.000 1.842 421 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 421 A C 2.326 179.925 177.584 0.026 0.000 1.206 421 A CA 1.877 53.933 52.037 0.031 0.000 0.630 421 A CB -1.220 17.798 19.000 0.031 0.000 0.839 421 A HN 0.472 nan 8.150 nan 0.000 0.447 422 G N -0.557 108.256 108.800 0.022 0.000 2.462 422 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.220 422 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.220 422 G C 1.118 176.030 174.900 0.019 0.000 1.121 422 G CA 1.221 46.331 45.100 0.017 0.000 0.758 422 G HN 0.612 nan 8.290 nan 0.000 0.559 423 D N 0.568 120.983 120.400 0.025 0.000 1.536 423 D HA -0.036 4.604 4.640 -0.000 0.000 0.316 423 D C 1.074 177.395 176.300 0.034 0.000 1.120 423 D CA 0.308 54.325 54.000 0.028 0.000 0.929 423 D CB -0.193 40.628 40.800 0.035 0.000 1.553 423 D HN 0.239 nan 8.370 nan 0.000 0.511 424 I N -0.218 120.384 120.570 0.053 0.000 8.511 424 I HA -0.265 3.905 4.170 -0.000 0.000 0.126 424 I C -0.652 175.485 176.117 0.033 0.000 1.779 424 I CA 0.156 61.502 61.300 0.077 0.000 2.154 424 I CB -0.562 37.502 38.000 0.108 0.000 3.703 424 I HN 0.332 nan 8.210 nan 0.000 0.204 425 Q N 7.033 126.832 119.800 -0.001 0.000 2.381 425 Q HA 0.627 4.966 4.340 -0.000 0.000 0.263 425 Q C -0.253 175.620 176.000 -0.212 0.000 1.030 425 Q CA -0.884 54.867 55.803 -0.087 0.000 0.772 425 Q CB 1.965 30.645 28.738 -0.095 0.000 1.232 425 Q HN 0.574 nan 8.270 nan 0.000 0.476 426 L N 1.462 122.564 121.223 -0.202 0.000 2.472 426 L HA 0.046 4.385 4.340 -0.000 0.000 0.273 426 L C 0.655 177.112 176.870 -0.688 0.000 1.254 426 L CA 0.479 55.121 54.840 -0.329 0.000 0.823 426 L CB 0.129 42.087 42.059 -0.168 0.000 1.096 426 L HN 0.487 nan 8.230 nan 0.000 0.521 427 Q N -0.077 119.162 119.800 -0.935 0.000 2.315 427 Q HA 0.282 4.622 4.340 -0.000 0.000 0.273 427 Q C -1.605 174.038 176.000 -0.595 0.000 1.053 427 Q CA -0.833 54.380 55.803 -0.983 0.000 0.817 427 Q CB 2.176 29.882 28.738 -1.721 0.000 1.326 427 Q HN 0.305 nan 8.270 nan 0.000 0.423 428 Y N 0.598 120.721 120.300 -0.294 0.000 2.802 428 Y HA 0.145 4.694 4.550 -0.000 0.000 0.351 428 Y C 1.502 177.361 175.900 -0.068 0.000 1.237 428 Y CA 1.963 59.971 58.100 -0.154 0.000 1.599 428 Y CB -0.038 38.337 38.460 -0.141 0.000 1.214 428 Y HN 1.010 nan 8.280 nan 0.000 0.520 429 G N 0.912 109.771 108.800 0.098 0.000 2.205 429 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.180 429 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.180 429 G C -0.263 174.815 174.900 0.298 0.000 1.004 429 G CA -0.852 44.350 45.100 0.169 0.000 0.670 429 G HN 0.457 nan 8.290 nan 0.000 0.496 430 W N 0.811 122.085 121.300 -0.044 0.000 2.260 430 W HA 0.830 5.490 4.660 -0.000 0.000 0.366 430 W C 0.601 177.086 176.519 -0.056 0.000 1.315 430 W CA -0.836 56.479 57.345 -0.050 0.000 1.458 430 W CB 0.717 30.142 29.460 -0.059 0.000 1.255 430 W HN -0.013 nan 8.180 nan 0.000 0.671 431 K N 0.087 120.573 120.400 0.143 0.000 2.435 431 K HA 0.637 4.957 4.320 -0.000 0.000 0.251 431 K C -1.569 175.057 176.600 0.043 0.000 0.954 431 K CA -0.894 55.423 56.287 0.049 0.000 0.820 431 K CB 2.500 34.984 32.500 -0.027 0.000 1.292 431 K HN 0.074 nan 8.250 nan 0.000 0.436 432 V N 2.354 122.285 119.914 0.029 0.000 2.380 432 V HA 0.144 4.264 4.120 -0.000 0.000 0.272 432 V C -0.661 175.442 176.094 0.016 0.000 1.011 432 V CA -0.880 61.439 62.300 0.031 0.000 0.826 432 V CB 0.993 32.839 31.823 0.039 0.000 1.040 432 V HN 0.728 nan 8.190 nan 0.000 0.441 433 E N 4.543 124.758 120.200 0.025 0.000 2.463 433 E HA 0.083 4.433 4.350 -0.000 0.000 0.248 433 E C 0.329 176.934 176.600 0.008 0.000 1.106 433 E CA 0.061 56.487 56.400 0.043 0.000 0.946 433 E CB 0.472 30.253 29.700 0.136 0.000 0.971 433 E HN 0.743 nan 8.360 nan 0.000 0.478 434 R N 2.150 122.664 120.500 0.023 0.000 2.782 434 R HA 0.384 4.724 4.340 -0.000 0.000 0.258 434 R C -0.081 176.225 176.300 0.009 0.000 1.055 434 R CA -0.792 55.285 56.100 -0.038 0.000 1.065 434 R CB 0.682 31.000 30.300 0.030 0.000 1.172 434 R HN 0.329 nan 8.270 nan 0.000 0.510 435 H N 0.616 119.710 119.070 0.039 0.000 2.707 435 H HA 0.143 4.698 4.556 -0.000 0.000 0.359 435 H C 0.287 175.671 175.328 0.093 0.000 1.113 435 H CA -0.347 55.733 56.048 0.053 0.000 1.422 435 H CB 0.603 30.349 29.762 -0.026 0.000 1.443 435 H HN 0.322 nan 8.280 nan 0.000 0.591 436 I N 3.968 124.712 120.570 0.290 0.000 2.618 436 I HA -0.034 4.136 4.170 -0.000 0.000 0.284 436 I C 0.939 177.187 176.117 0.219 0.000 1.146 436 I CA 0.589 62.018 61.300 0.214 0.000 1.425 436 I CB -0.668 37.442 38.000 0.184 0.000 1.383 436 I HN 0.379 nan 8.210 nan 0.000 0.562 437 M N 3.549 123.237 119.600 0.146 0.000 2.662 437 M HA 0.400 4.880 4.480 -0.000 0.000 0.310 437 M C -0.371 175.987 176.300 0.097 0.000 1.204 437 M CA -1.220 54.174 55.300 0.157 0.000 0.891 437 M CB 1.325 33.977 32.600 0.087 0.000 1.732 437 M HN 0.260 nan 8.290 nan 0.000 0.467 438 D N 1.950 122.410 120.400 0.101 0.000 2.795 438 D HA -0.070 4.570 4.640 -0.000 0.000 0.221 438 D C 0.177 176.492 176.300 0.025 0.000 1.108 438 D CA 1.664 55.693 54.000 0.048 0.000 0.832 438 D CB 0.034 40.859 40.800 0.043 0.000 1.183 438 D HN 0.751 nan 8.370 nan 0.000 0.503 439 N N 0.289 118.995 118.700 0.011 0.000 2.850 439 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 439 N C -1.238 174.261 175.510 -0.017 0.000 1.060 439 N CA 0.827 53.876 53.050 -0.002 0.000 0.825 439 N CB -0.645 37.840 38.487 -0.004 0.000 1.132 439 N HN 0.412 nan 8.380 nan 0.000 0.564 440 D N 0.373 120.763 120.400 -0.015 0.000 2.302 440 D HA 0.230 4.870 4.640 -0.000 0.000 0.248 440 D C -2.174 174.112 176.300 -0.024 0.000 1.094 440 D CA -1.112 52.860 54.000 -0.048 0.000 0.897 440 D CB 0.726 41.501 40.800 -0.042 0.000 1.200 440 D HN 0.095 nan 8.370 nan 0.000 0.429 441 P HA 0.063 nan 4.420 nan 0.000 0.282 441 P C -0.492 176.826 177.300 0.030 0.000 1.274 441 P CA -0.354 62.745 63.100 -0.001 0.000 0.770 441 P CB 0.889 32.578 31.700 -0.019 0.000 0.867 442 V N 1.980 121.931 119.914 0.063 0.000 2.960 442 V HA 0.444 4.564 4.120 -0.000 0.000 0.315 442 V C -0.206 175.974 176.094 0.143 0.000 1.087 442 V CA -1.190 61.161 62.300 0.085 0.000 0.982 442 V CB 2.646 34.492 31.823 0.038 0.000 1.039 442 V HN 0.354 nan 8.190 nan 0.000 0.437 443 L N 3.476 124.801 121.223 0.169 0.000 2.352 443 L HA 0.424 4.764 4.340 -0.000 0.000 0.272 443 L C -0.624 176.423 176.870 0.294 0.000 1.109 443 L CA -0.142 54.833 54.840 0.226 0.000 0.952 443 L CB 0.318 42.500 42.059 0.204 0.000 1.314 443 L HN 0.792 nan 8.230 nan 0.000 0.427 444 F N 5.553 125.551 119.950 0.081 0.000 2.403 444 F HA 0.402 4.929 4.527 -0.000 0.000 0.320 444 F C 0.414 176.212 175.800 -0.004 0.000 1.176 444 F CA -0.573 57.354 58.000 -0.121 0.000 1.206 444 F CB 0.829 39.614 39.000 -0.359 0.000 1.235 444 F HN 0.615 nan 8.300 nan 0.000 0.565 445 N N 2.829 121.220 118.700 -0.514 0.000 4.107 445 N HA 0.144 4.884 4.740 -0.000 0.000 0.213 445 N C -2.180 173.064 175.510 -0.443 0.000 1.216 445 N CA -0.709 52.164 53.050 -0.295 0.000 0.925 445 N CB 1.425 39.952 38.487 0.067 0.000 1.541 445 N HN 0.835 nan 8.380 nan 0.000 0.524 446 R N 1.352 121.753 120.500 -0.165 0.000 2.750 446 R HA 0.442 4.781 4.340 -0.000 0.000 0.281 446 R C -0.903 175.387 176.300 -0.017 0.000 0.972 446 R CA -0.329 55.693 56.100 -0.131 0.000 0.912 446 R CB 1.724 31.965 30.300 -0.098 0.000 1.187 446 R HN 0.659 nan 8.270 nan 0.000 0.464 447 Q N 2.586 122.373 119.800 -0.022 0.000 2.241 447 Q HA 0.476 4.816 4.340 -0.000 0.000 0.262 447 Q C -2.138 173.859 176.000 -0.006 0.000 1.014 447 Q CA -2.018 53.784 55.803 -0.001 0.000 0.885 447 Q CB 1.839 30.580 28.738 0.006 0.000 1.311 447 Q HN 0.488 nan 8.270 nan 0.000 0.461 448 P HA 0.136 nan 4.420 nan 0.000 0.282 448 P C -1.135 176.163 177.300 -0.003 0.000 1.249 448 P CA -0.429 62.668 63.100 -0.004 0.000 0.806 448 P CB 1.038 32.732 31.700 -0.011 0.000 0.984 449 S N 2.220 117.920 115.700 0.000 0.000 2.411 449 S HA 0.332 4.801 4.470 -0.000 0.000 0.294 449 S C 0.502 175.091 174.600 -0.018 0.000 1.115 449 S CA -0.407 57.795 58.200 0.002 0.000 1.071 449 S CB -0.130 63.075 63.200 0.008 0.000 0.967 449 S HN 0.378 nan 8.310 nan 0.000 0.488 450 L N 0.430 121.639 121.223 -0.023 0.000 3.606 450 L HA 0.509 4.849 4.340 -0.000 0.000 0.336 450 L C -0.237 176.598 176.870 -0.059 0.000 1.300 450 L CA -0.071 54.728 54.840 -0.067 0.000 1.050 450 L CB -0.834 41.159 42.059 -0.111 0.000 1.439 450 L HN 0.639 nan 8.230 nan 0.000 0.621 451 H N -0.297 118.715 119.070 -0.097 0.000 2.806 451 H HA 0.401 4.957 4.556 -0.000 0.000 0.367 451 H C 0.208 175.466 175.328 -0.116 0.000 1.136 451 H CA -0.701 55.277 56.048 -0.117 0.000 1.178 451 H CB 2.490 32.175 29.762 -0.129 0.000 1.718 451 H HN -0.031 nan 8.280 nan 0.000 0.540 452 K N 2.243 122.646 120.400 0.005 0.000 2.103 452 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 452 K C 0.737 177.240 176.600 -0.161 0.000 1.048 452 K CA 1.564 57.799 56.287 -0.086 0.000 0.930 452 K CB 0.080 32.516 32.500 -0.107 0.000 0.716 452 K HN 0.538 nan 8.250 nan 0.000 0.444 453 M N 0.095 119.504 119.600 -0.317 0.000 2.888 453 M HA 0.005 4.485 4.480 -0.000 0.000 0.216 453 M C 1.004 177.044 176.300 -0.433 0.000 1.291 453 M CA 0.405 55.447 55.300 -0.431 0.000 1.105 453 M CB 0.709 32.946 32.600 -0.606 0.000 1.581 453 M HN -0.140 nan 8.290 nan 0.000 0.439 454 S N -0.145 115.430 115.700 -0.209 0.000 2.559 454 S HA 0.408 4.877 4.470 -0.000 0.000 0.226 454 S C 0.399 175.046 174.600 0.079 0.000 1.030 454 S CA 0.001 58.143 58.200 -0.097 0.000 0.956 454 S CB 0.439 63.648 63.200 0.015 0.000 0.900 454 S HN 0.462 nan 8.310 nan 0.000 0.510 455 M N 2.242 121.868 119.600 0.043 0.000 2.037 455 M HA 0.426 4.905 4.480 -0.000 0.000 0.255 455 M C -1.483 174.890 176.300 0.122 0.000 0.914 455 M CA 0.148 55.538 55.300 0.150 0.000 0.986 455 M CB 1.587 34.235 32.600 0.080 0.000 1.947 455 M HN 0.055 nan 8.290 nan 0.000 0.419 456 M N 1.560 121.315 119.600 0.259 0.000 2.528 456 M HA 0.771 5.251 4.480 -0.000 0.000 0.321 456 M C 0.168 176.622 176.300 0.257 0.000 1.153 456 M CA -0.788 54.606 55.300 0.156 0.000 0.951 456 M CB 2.183 34.803 32.600 0.034 0.000 1.705 456 M HN 0.641 nan 8.290 nan 0.000 0.451 457 A N 1.781 124.656 122.820 0.092 0.000 2.386 457 A HA 0.490 4.810 4.320 -0.000 0.000 0.248 457 A C -0.595 177.007 177.584 0.030 0.000 1.082 457 A CA 0.065 52.166 52.037 0.107 0.000 0.789 457 A CB 0.286 19.305 19.000 0.032 0.000 1.025 457 A HN 0.893 nan 8.150 nan 0.000 0.490 458 H N 0.057 119.150 119.070 0.039 0.000 3.016 458 H HA 0.311 4.867 4.556 -0.000 0.000 0.362 458 H C -0.795 174.518 175.328 -0.025 0.000 1.233 458 H CA -0.774 55.277 56.048 0.006 0.000 1.124 458 H CB 1.576 31.322 29.762 -0.027 0.000 1.850 458 H HN 0.720 nan 8.280 nan 0.000 0.549 459 R N 1.237 121.799 120.500 0.104 0.000 2.234 459 R HA 0.263 4.603 4.340 -0.000 0.000 0.324 459 R C -0.096 176.219 176.300 0.025 0.000 1.054 459 R CA -0.484 55.640 56.100 0.040 0.000 0.912 459 R CB 1.048 31.363 30.300 0.025 0.000 1.030 459 R HN 0.160 nan 8.270 nan 0.000 0.455 460 V N 3.438 123.355 119.914 0.005 0.000 3.096 460 V HA 0.061 4.180 4.120 -0.000 0.000 0.306 460 V C 0.424 176.511 176.094 -0.011 0.000 1.088 460 V CA 0.484 62.775 62.300 -0.014 0.000 1.129 460 V CB 1.089 32.914 31.823 0.004 0.000 1.014 460 V HN 0.594 nan 8.190 nan 0.000 0.486 461 K N 3.387 123.771 120.400 -0.026 0.000 2.834 461 K HA 0.226 4.546 4.320 -0.000 0.000 0.259 461 K C -1.251 175.323 176.600 -0.043 0.000 1.158 461 K CA -0.361 55.913 56.287 -0.023 0.000 1.068 461 K CB 1.358 33.844 32.500 -0.022 0.000 1.324 461 K HN 0.414 nan 8.250 nan 0.000 0.552 462 V N 5.572 125.455 119.914 -0.052 0.000 2.644 462 V HA 0.098 4.217 4.120 -0.000 0.000 0.305 462 V C 0.983 177.002 176.094 -0.125 0.000 1.053 462 V CA 0.347 62.571 62.300 -0.127 0.000 1.186 462 V CB -0.484 31.197 31.823 -0.237 0.000 0.895 462 V HN 0.586 nan 8.190 nan 0.000 0.490 463 I N 2.821 123.313 120.570 -0.129 0.000 3.102 463 I HA 0.734 4.904 4.170 -0.000 0.000 0.310 463 I C -2.817 173.251 176.117 -0.082 0.000 1.246 463 I CA -2.606 58.647 61.300 -0.079 0.000 0.979 463 I CB 2.609 40.590 38.000 -0.032 0.000 1.267 463 I HN 0.366 nan 8.210 nan 0.000 0.451 464 P HA 0.221 nan 4.420 nan 0.000 0.275 464 P C -1.297 176.050 177.300 0.078 0.000 1.266 464 P CA 0.422 63.475 63.100 -0.079 0.000 0.793 464 P CB 0.244 31.901 31.700 -0.072 0.000 1.074 465 Y N -2.599 117.637 120.300 -0.107 0.000 2.511 465 Y HA -0.212 4.338 4.550 -0.000 0.000 0.022 465 Y C 1.321 177.140 175.900 -0.135 0.000 1.706 465 Y CA 0.831 58.868 58.100 -0.105 0.000 1.416 465 Y CB -2.169 36.237 38.460 -0.090 0.000 2.062 465 Y HN 0.351 nan 8.280 nan 0.000 0.255 466 S N -1.180 114.525 115.700 0.009 0.000 2.803 466 S HA 0.256 4.726 4.470 -0.000 0.000 0.228 466 S C 0.283 174.795 174.600 -0.147 0.000 0.953 466 S CA 0.139 58.279 58.200 -0.100 0.000 0.983 466 S CB -0.536 62.606 63.200 -0.096 0.000 0.784 466 S HN 0.822 nan 8.310 nan 0.000 0.498 467 T N -0.926 113.567 114.554 -0.102 0.000 2.824 467 T HA 0.628 4.977 4.350 -0.000 0.000 0.282 467 T C -0.345 174.314 174.700 -0.069 0.000 0.993 467 T CA -0.903 61.140 62.100 -0.095 0.000 0.967 467 T CB 0.350 69.200 68.868 -0.030 0.000 0.960 467 T HN 0.145 nan 8.240 nan 0.000 0.441 468 F N 2.159 122.086 119.950 -0.040 0.000 2.608 468 F HA 0.312 4.839 4.527 -0.000 0.000 0.380 468 F C 1.391 177.138 175.800 -0.088 0.000 1.083 468 F CA -0.330 57.615 58.000 -0.090 0.000 1.266 468 F CB 0.589 39.578 39.000 -0.018 0.000 1.076 468 F HN 0.387 nan 8.300 nan 0.000 0.574 469 R N 3.440 123.974 120.500 0.056 0.000 2.514 469 R HA 0.711 5.051 4.340 -0.000 0.000 0.301 469 R C -1.410 174.860 176.300 -0.050 0.000 0.962 469 R CA -0.699 55.385 56.100 -0.026 0.000 0.882 469 R CB 1.403 31.666 30.300 -0.060 0.000 1.143 469 R HN 0.538 nan 8.270 nan 0.000 0.452 470 L N -0.188 121.040 121.223 0.009 0.000 2.359 470 L HA 0.695 5.034 4.340 -0.000 0.000 0.256 470 L C -0.690 176.239 176.870 0.098 0.000 1.026 470 L CA -1.146 53.742 54.840 0.079 0.000 0.828 470 L CB 1.333 43.526 42.059 0.223 0.000 1.406 470 L HN 0.323 nan 8.230 nan 0.000 0.413 471 N N 0.283 119.059 118.700 0.127 0.000 2.499 471 N HA 0.386 5.126 4.740 -0.000 0.000 0.281 471 N C 0.728 176.334 175.510 0.160 0.000 1.098 471 N CA -0.235 52.877 53.050 0.104 0.000 0.979 471 N CB 1.011 39.527 38.487 0.049 0.000 1.121 471 N HN 0.840 nan 8.380 nan 0.000 0.466 472 L N 1.747 123.072 121.223 0.170 0.000 1.978 472 L HA -0.243 4.097 4.340 -0.000 0.000 0.218 472 L C 1.914 178.876 176.870 0.153 0.000 1.075 472 L CA 1.401 56.370 54.840 0.215 0.000 0.767 472 L CB -0.648 41.523 42.059 0.187 0.000 0.890 472 L HN 0.529 nan 8.230 nan 0.000 0.434 473 S N -1.206 114.562 115.700 0.114 0.000 2.559 473 S HA -0.098 4.372 4.470 -0.000 0.000 0.250 473 S C 1.131 175.739 174.600 0.014 0.000 0.977 473 S CA 0.775 59.032 58.200 0.095 0.000 0.958 473 S CB -0.165 63.131 63.200 0.160 0.000 0.751 473 S HN 0.308 nan 8.310 nan 0.000 0.534 474 V N 0.810 120.760 119.914 0.060 0.000 2.988 474 V HA 0.191 4.311 4.120 -0.000 0.000 0.356 474 V C 1.437 177.660 176.094 0.216 0.000 1.380 474 V CA 0.379 62.738 62.300 0.099 0.000 1.184 474 V CB 0.288 32.217 31.823 0.178 0.000 1.204 474 V HN 0.443 nan 8.190 nan 0.000 0.530 475 T N 0.045 114.685 114.554 0.143 0.000 2.814 475 T HA -0.121 4.229 4.350 -0.000 0.000 0.254 475 T C 2.192 176.923 174.700 0.052 0.000 1.037 475 T CA 2.261 64.423 62.100 0.103 0.000 1.143 475 T CB -0.053 68.824 68.868 0.015 0.000 0.866 475 T HN 0.789 nan 8.240 nan 0.000 0.431 476 S N 1.942 117.651 115.700 0.015 0.000 2.356 476 S HA -0.013 4.457 4.470 -0.000 0.000 0.223 476 S C -0.446 174.120 174.600 -0.057 0.000 1.032 476 S CA 1.148 59.339 58.200 -0.015 0.000 1.005 476 S CB -1.944 61.250 63.200 -0.010 0.000 0.867 476 S HN 0.421 nan 8.310 nan 0.000 0.449 477 P HA -0.100 nan 4.420 nan 0.000 0.216 477 P C 0.761 177.836 177.300 -0.375 0.000 1.150 477 P CA 1.297 64.213 63.100 -0.306 0.000 0.843 477 P CB -0.212 31.238 31.700 -0.416 0.000 0.787 478 Y N -2.360 117.900 120.300 -0.067 0.000 2.490 478 Y HA 0.107 4.657 4.550 -0.000 0.000 0.285 478 Y C 0.910 176.763 175.900 -0.079 0.000 1.117 478 Y CA 0.107 58.152 58.100 -0.092 0.000 1.262 478 Y CB -0.282 38.090 38.460 -0.147 0.000 1.043 478 Y HN -0.050 nan 8.280 nan 0.000 0.553 479 N N 0.834 119.556 118.700 0.036 0.000 2.648 479 N HA -0.180 4.560 4.740 -0.000 0.000 0.265 479 N C -1.119 174.375 175.510 -0.028 0.000 1.100 479 N CA 0.566 53.612 53.050 -0.006 0.000 0.715 479 N CB -0.855 37.630 38.487 -0.003 0.000 0.881 479 N HN 0.340 nan 8.380 nan 0.000 0.548 480 A N 1.695 124.473 122.820 -0.070 0.000 2.498 480 A HA 0.742 5.061 4.320 -0.000 0.000 0.298 480 A C -1.055 176.333 177.584 -0.326 0.000 1.075 480 A CA -0.515 51.434 52.037 -0.147 0.000 0.714 480 A CB 1.382 20.310 19.000 -0.120 0.000 1.299 480 A HN 0.521 nan 8.150 nan 0.000 0.407 481 D N -0.720 119.471 120.400 -0.347 0.000 2.477 481 D HA 0.543 5.183 4.640 -0.000 0.000 0.234 481 D C -0.769 175.254 176.300 -0.462 0.000 1.048 481 D CA -0.467 53.233 54.000 -0.500 0.000 0.959 481 D CB 0.624 41.288 40.800 -0.228 0.000 1.408 481 D HN 0.307 nan 8.370 nan 0.000 0.496 482 F N 0.206 120.165 119.950 0.015 0.000 2.974 482 F HA 0.147 4.673 4.527 -0.000 0.000 0.292 482 F C 0.745 176.550 175.800 0.009 0.000 1.209 482 F CA -0.694 57.315 58.000 0.015 0.000 1.366 482 F CB 0.126 39.137 39.000 0.017 0.000 1.033 482 F HN 0.250 nan 8.300 nan 0.000 0.516 483 D N -0.190 120.264 120.400 0.091 0.000 2.538 483 D HA 0.183 4.823 4.640 -0.000 0.000 0.234 483 D C 1.286 177.620 176.300 0.056 0.000 1.191 483 D CA -0.162 53.874 54.000 0.060 0.000 0.828 483 D CB 0.126 40.935 40.800 0.016 0.000 0.981 483 D HN 0.370 nan 8.370 nan 0.000 0.490 484 G N 0.569 109.422 108.800 0.088 0.000 2.164 484 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.212 484 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.212 484 G C -0.789 174.149 174.900 0.064 0.000 1.031 484 G CA -0.497 44.646 45.100 0.070 0.000 0.730 484 G HN 0.354 nan 8.290 nan 0.000 0.501 485 D N 1.131 121.578 120.400 0.079 0.000 2.336 485 D HA 0.396 5.036 4.640 -0.000 0.000 0.249 485 D C 0.689 177.032 176.300 0.070 0.000 1.213 485 D CA 0.225 54.255 54.000 0.050 0.000 0.870 485 D CB 0.684 41.492 40.800 0.013 0.000 1.076 485 D HN 0.461 nan 8.370 nan 0.000 0.483 486 E N 2.453 122.685 120.200 0.054 0.000 2.338 486 E HA 0.225 4.575 4.350 -0.000 0.000 0.272 486 E C 0.068 176.686 176.600 0.030 0.000 1.029 486 E CA -0.087 56.358 56.400 0.074 0.000 0.872 486 E CB 0.963 30.701 29.700 0.063 0.000 1.015 486 E HN 0.323 nan 8.360 nan 0.000 0.417 487 M N 2.034 121.663 119.600 0.048 0.000 2.716 487 M HA 0.364 4.844 4.480 -0.000 0.000 0.307 487 M C -0.188 176.072 176.300 -0.068 0.000 1.223 487 M CA -0.927 54.296 55.300 -0.129 0.000 0.871 487 M CB 1.818 34.206 32.600 -0.353 0.000 1.739 487 M HN 0.415 nan 8.290 nan 0.000 0.475 488 N N 0.839 119.440 118.700 -0.165 0.000 2.681 488 N HA 0.805 5.544 4.740 -0.000 0.000 0.311 488 N C -1.443 173.975 175.510 -0.153 0.000 1.303 488 N CA -0.462 52.526 53.050 -0.103 0.000 0.926 488 N CB 1.311 39.754 38.487 -0.073 0.000 1.136 488 N HN 0.459 nan 8.380 nan 0.000 0.592 489 L N 0.589 121.675 121.223 -0.228 0.000 2.982 489 L HA 0.270 4.610 4.340 -0.000 0.000 0.262 489 L C -1.957 174.743 176.870 -0.285 0.000 0.932 489 L CA -0.252 54.495 54.840 -0.155 0.000 1.058 489 L CB 0.521 42.461 42.059 -0.199 0.000 1.665 489 L HN 0.570 nan 8.230 nan 0.000 0.499 490 H N 4.046 123.177 119.070 0.103 0.000 2.524 490 H HA 0.727 5.283 4.556 -0.000 0.000 0.353 490 H C -0.916 174.485 175.328 0.121 0.000 1.136 490 H CA -0.769 55.352 56.048 0.121 0.000 1.193 490 H CB 2.738 32.559 29.762 0.099 0.000 1.558 490 H HN 0.431 nan 8.280 nan 0.000 0.515 491 V N 5.557 125.624 119.914 0.254 0.000 2.398 491 V HA 0.171 4.290 4.120 -0.000 0.000 0.286 491 V C -1.683 174.505 176.094 0.157 0.000 1.026 491 V CA -1.532 60.890 62.300 0.204 0.000 0.868 491 V CB 1.646 33.620 31.823 0.251 0.000 0.982 491 V HN 0.661 nan 8.190 nan 0.000 0.443 492 P HA 0.087 nan 4.420 nan 0.000 0.271 492 P C -0.513 176.864 177.300 0.128 0.000 1.238 492 P CA 0.083 63.244 63.100 0.102 0.000 0.794 492 P CB 1.394 33.148 31.700 0.089 0.000 0.959 493 Q N -0.799 119.044 119.800 0.072 0.000 2.360 493 Q HA 0.191 4.531 4.340 -0.000 0.000 0.261 493 Q C 0.740 176.732 176.000 -0.013 0.000 0.802 493 Q CA 0.562 56.331 55.803 -0.056 0.000 0.983 493 Q CB 0.434 29.006 28.738 -0.276 0.000 1.211 493 Q HN 0.395 nan 8.270 nan 0.000 0.523 494 S N -0.444 115.301 115.700 0.075 0.000 2.718 494 S HA 0.224 4.694 4.470 -0.000 0.000 0.292 494 S C 0.540 175.268 174.600 0.213 0.000 1.125 494 S CA -0.374 57.875 58.200 0.082 0.000 1.013 494 S CB 1.003 64.218 63.200 0.026 0.000 1.192 494 S HN 0.177 nan 8.310 nan 0.000 0.535 495 E N 0.919 121.210 120.200 0.152 0.000 2.166 495 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 495 E C 1.847 178.488 176.600 0.067 0.000 0.967 495 E CA 0.967 57.446 56.400 0.131 0.000 0.840 495 E CB -0.078 29.692 29.700 0.117 0.000 0.795 495 E HN 0.687 nan 8.360 nan 0.000 0.470 496 E N -0.842 119.390 120.200 0.053 0.000 2.107 496 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 496 E C 1.733 178.347 176.600 0.023 0.000 0.982 496 E CA 1.433 57.852 56.400 0.032 0.000 0.809 496 E CB -0.379 29.335 29.700 0.024 0.000 0.756 496 E HN 0.011 nan 8.360 nan 0.000 0.459 497 T N 1.779 116.350 114.554 0.029 0.000 2.643 497 T HA -0.164 4.186 4.350 -0.000 0.000 0.264 497 T C 1.820 176.534 174.700 0.024 0.000 1.045 497 T CA 2.100 64.212 62.100 0.021 0.000 1.155 497 T CB -0.263 68.621 68.868 0.026 0.000 0.863 497 T HN 0.366 nan 8.240 nan 0.000 0.420 498 R N 1.608 122.130 120.500 0.037 0.000 2.249 498 R HA 0.119 4.459 4.340 -0.000 0.000 0.230 498 R C 2.332 178.631 176.300 -0.003 0.000 1.121 498 R CA 1.176 57.282 56.100 0.010 0.000 0.997 498 R CB -0.448 29.832 30.300 -0.032 0.000 0.867 498 R HN 0.333 nan 8.270 nan 0.000 0.465 499 A N 1.514 124.336 122.820 0.005 0.000 1.970 499 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 499 A C 1.870 179.453 177.584 -0.002 0.000 1.170 499 A CA 0.803 52.840 52.037 0.001 0.000 0.645 499 A CB -0.121 18.885 19.000 0.010 0.000 0.816 499 A HN 0.386 nan 8.150 nan 0.000 0.447 500 E N -0.727 119.472 120.200 -0.002 0.000 2.274 500 E HA -0.057 4.292 4.350 -0.000 0.000 0.194 500 E C 1.588 178.181 176.600 -0.011 0.000 0.996 500 E CA 0.574 56.968 56.400 -0.010 0.000 0.840 500 E CB -0.057 29.633 29.700 -0.016 0.000 0.772 500 E HN 0.556 nan 8.360 nan 0.000 0.491 501 L N -0.039 121.182 121.223 -0.003 0.000 2.202 501 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 501 L C 2.476 179.342 176.870 -0.008 0.000 1.083 501 L CA 0.961 55.802 54.840 0.002 0.000 0.790 501 L CB -0.059 42.013 42.059 0.021 0.000 0.942 501 L HN 0.096 nan 8.230 nan 0.000 0.452 502 S N -1.334 114.359 115.700 -0.011 0.000 2.357 502 S HA -0.180 4.290 4.470 -0.000 0.000 0.221 502 S C 1.904 176.490 174.600 -0.023 0.000 1.031 502 S CA 0.702 58.891 58.200 -0.018 0.000 0.982 502 S CB -0.312 62.877 63.200 -0.019 0.000 0.853 502 S HN 0.271 nan 8.310 nan 0.000 0.458 503 Q N 0.041 119.829 119.800 -0.020 0.000 2.425 503 Q HA 0.445 4.785 4.340 -0.000 0.000 0.204 503 Q C 1.145 177.124 176.000 -0.035 0.000 0.933 503 Q CA 0.432 56.221 55.803 -0.024 0.000 0.939 503 Q CB 0.068 28.797 28.738 -0.015 0.000 1.044 503 Q HN 0.487 nan 8.270 nan 0.000 0.513 504 L N -2.463 118.739 121.223 -0.036 0.000 2.862 504 L HA 0.092 4.432 4.340 -0.000 0.000 0.169 504 L C 1.109 177.949 176.870 -0.050 0.000 1.164 504 L CA 0.652 55.464 54.840 -0.047 0.000 0.858 504 L CB -0.577 41.456 42.059 -0.044 0.000 1.329 504 L HN -0.031 nan 8.230 nan 0.000 0.514 505 C N 1.657 120.933 119.300 -0.039 0.000 2.449 505 C HA 0.589 5.049 4.460 -0.000 0.000 0.322 505 C C 1.132 176.092 174.990 -0.050 0.000 1.309 505 C CA -1.111 57.883 59.018 -0.040 0.000 1.657 505 C CB -2.269 25.462 27.740 -0.014 0.000 1.718 505 C HN 0.312 nan 8.230 nan 0.000 0.596 506 A N 0.730 123.512 122.820 -0.063 0.000 2.396 506 A HA 0.441 4.761 4.320 -0.000 0.000 0.279 506 A C 1.367 178.871 177.584 -0.134 0.000 1.165 506 A CA -0.038 51.943 52.037 -0.093 0.000 0.824 506 A CB 0.267 19.224 19.000 -0.072 0.000 1.100 506 A HN 0.269 nan 8.150 nan 0.000 0.516 507 V N 4.045 123.829 119.914 -0.217 0.000 2.295 507 V HA -0.315 3.805 4.120 -0.000 0.000 0.262 507 V C -0.316 175.683 176.094 -0.158 0.000 1.098 507 V CA 3.074 65.233 62.300 -0.235 0.000 1.095 507 V CB -1.394 30.206 31.823 -0.372 0.000 0.704 507 V HN 0.832 nan 8.190 nan 0.000 0.454 508 P HA -0.051 nan 4.420 nan 0.000 0.220 508 P C 1.790 179.064 177.300 -0.044 0.000 1.152 508 P CA 1.048 64.113 63.100 -0.059 0.000 0.812 508 P CB -0.058 31.623 31.700 -0.032 0.000 0.792 509 L N -0.796 120.391 121.223 -0.060 0.000 2.362 509 L HA -0.135 4.204 4.340 -0.000 0.000 0.219 509 L C 1.826 178.651 176.870 -0.075 0.000 1.134 509 L CA 1.073 55.880 54.840 -0.056 0.000 0.807 509 L CB -0.511 41.512 42.059 -0.061 0.000 0.927 509 L HN 0.023 nan 8.230 nan 0.000 0.447 510 Q N -0.681 119.062 119.800 -0.096 0.000 2.319 510 Q HA 0.152 4.492 4.340 -0.000 0.000 0.202 510 Q C 2.062 177.989 176.000 -0.121 0.000 0.896 510 Q CA 0.247 55.976 55.803 -0.124 0.000 0.942 510 Q CB 0.508 29.149 28.738 -0.161 0.000 1.083 510 Q HN 0.562 nan 8.270 nan 0.000 0.510 511 I N -0.033 120.491 120.570 -0.076 0.000 2.315 511 I HA -0.167 4.003 4.170 -0.000 0.000 0.251 511 I C 0.666 176.727 176.117 -0.094 0.000 1.125 511 I CA 0.867 62.141 61.300 -0.044 0.000 1.392 511 I CB 0.076 38.100 38.000 0.041 0.000 1.065 511 I HN -0.149 nan 8.210 nan 0.000 0.424 512 V N 1.000 120.840 119.914 -0.124 0.000 2.347 512 V HA 0.165 4.285 4.120 -0.000 0.000 0.280 512 V C 0.184 176.186 176.094 -0.154 0.000 1.021 512 V CA -0.408 61.787 62.300 -0.175 0.000 0.847 512 V CB 1.493 33.204 31.823 -0.187 0.000 0.990 512 V HN 0.178 nan 8.190 nan 0.000 0.444 513 S N 7.887 123.498 115.700 -0.148 0.000 2.489 513 S HA 0.332 4.802 4.470 -0.000 0.000 0.277 513 S C -0.766 173.786 174.600 -0.079 0.000 1.230 513 S CA -1.241 56.886 58.200 -0.121 0.000 1.053 513 S CB 1.269 64.401 63.200 -0.113 0.000 0.955 513 S HN 0.672 nan 8.310 nan 0.000 0.488 514 P HA -0.160 nan 4.420 nan 0.000 0.218 514 P C 0.331 177.708 177.300 0.128 0.000 1.149 514 P CA 0.985 64.108 63.100 0.039 0.000 0.817 514 P CB -0.119 31.628 31.700 0.079 0.000 0.785 515 Q N 0.636 120.494 119.800 0.097 0.000 2.938 515 Q HA 0.302 4.642 4.340 -0.000 0.000 0.343 515 Q C 0.219 176.153 176.000 -0.111 0.000 1.185 515 Q CA 0.033 55.893 55.803 0.095 0.000 0.939 515 Q CB -0.577 28.145 28.738 -0.026 0.000 1.480 515 Q HN 0.183 nan 8.270 nan 0.000 0.442 516 S N -0.644 114.926 115.700 -0.217 0.000 4.683 516 S HA -0.107 4.363 4.470 -0.000 0.000 0.039 516 S C -0.565 173.908 174.600 -0.211 0.000 0.860 516 S CA -0.266 57.697 58.200 -0.394 0.000 0.906 516 S CB -2.090 60.981 63.200 -0.216 0.000 0.361 516 S HN 0.748 nan 8.310 nan 0.000 0.802 517 N N 2.189 120.811 118.700 -0.129 0.000 2.805 517 N HA -0.208 4.532 4.740 -0.000 0.000 0.280 517 N C -0.494 175.017 175.510 0.001 0.000 0.982 517 N CA 1.912 54.946 53.050 -0.027 0.000 0.846 517 N CB -1.625 36.893 38.487 0.051 0.000 0.932 517 N HN 1.143 nan 8.380 nan 0.000 0.583 518 K N -3.271 117.075 120.400 -0.091 0.000 2.642 518 K HA 0.522 4.842 4.320 -0.000 0.000 0.290 518 K C -3.448 173.009 176.600 -0.238 0.000 1.006 518 K CA -1.946 54.238 56.287 -0.172 0.000 0.869 518 K CB 1.490 33.963 32.500 -0.046 0.000 1.499 518 K HN -0.104 nan 8.250 nan 0.000 0.403 519 P HA -0.022 nan 4.420 nan 0.000 0.265 519 P C 0.554 177.788 177.300 -0.110 0.000 1.193 519 P CA -0.259 62.717 63.100 -0.208 0.000 0.765 519 P CB 0.445 32.035 31.700 -0.183 0.000 0.823 520 C N 1.877 121.121 119.300 -0.093 0.000 3.000 520 C HA 0.538 4.998 4.460 -0.000 0.000 0.286 520 C C 0.421 175.383 174.990 -0.048 0.000 1.343 520 C CA -0.573 58.395 59.018 -0.084 0.000 1.742 520 C CB -1.278 26.374 27.740 -0.146 0.000 2.200 520 C HN 0.400 nan 8.230 nan 0.000 0.621 521 M N 1.118 120.726 119.600 0.014 0.000 2.326 521 M HA 0.550 5.030 4.480 -0.000 0.000 0.292 521 M C 0.477 176.883 176.300 0.177 0.000 1.081 521 M CA 0.154 55.511 55.300 0.095 0.000 0.919 521 M CB 2.277 34.954 32.600 0.128 0.000 1.634 521 M HN 0.376 nan 8.290 nan 0.000 0.451 522 G N 3.085 111.988 108.800 0.171 0.000 3.434 522 G HA2 0.826 4.786 3.960 -0.000 0.000 0.197 522 G HA3 0.826 4.786 3.960 -0.000 0.000 0.197 522 G C -0.600 174.415 174.900 0.191 0.000 1.559 522 G CA -0.347 44.836 45.100 0.138 0.000 0.852 522 G HN 0.583 nan 8.290 nan 0.000 0.682 523 I N 0.627 121.266 120.570 0.114 0.000 2.690 523 I HA 0.269 4.439 4.170 -0.000 0.000 0.286 523 I C -0.899 175.263 176.117 0.074 0.000 1.313 523 I CA -0.358 61.007 61.300 0.109 0.000 1.070 523 I CB 1.926 39.950 38.000 0.040 0.000 1.323 523 I HN 0.185 nan 8.210 nan 0.000 0.432 524 V N 4.435 124.401 119.914 0.086 0.000 3.184 524 V HA 0.549 4.668 4.120 -0.000 0.000 0.308 524 V C 0.486 176.619 176.094 0.066 0.000 1.243 524 V CA -0.650 61.690 62.300 0.067 0.000 1.058 524 V CB 1.288 33.153 31.823 0.070 0.000 1.183 524 V HN 0.854 nan 8.190 nan 0.000 0.471 525 Q N -0.049 119.790 119.800 0.065 0.000 2.129 525 Q HA -0.372 3.967 4.340 -0.000 0.000 0.458 525 Q C 1.188 177.226 176.000 0.064 0.000 0.769 525 Q CA 2.156 58.005 55.803 0.076 0.000 0.829 525 Q CB -1.455 27.341 28.738 0.096 0.000 3.643 525 Q HN 0.965 nan 8.270 nan 0.000 0.888 526 D N 0.380 120.831 120.400 0.084 0.000 2.549 526 D HA -0.230 4.410 4.640 -0.000 0.000 0.199 526 D C 1.953 178.274 176.300 0.036 0.000 1.034 526 D CA 3.027 57.069 54.000 0.071 0.000 0.880 526 D CB -0.786 40.063 40.800 0.081 0.000 1.044 526 D HN 0.627 nan 8.370 nan 0.000 0.469 527 T N 0.298 114.879 114.554 0.045 0.000 2.624 527 T HA -0.256 4.093 4.350 -0.000 0.000 0.266 527 T C 1.824 176.529 174.700 0.008 0.000 1.050 527 T CA 1.630 63.750 62.100 0.032 0.000 1.163 527 T CB -0.592 68.306 68.868 0.051 0.000 0.861 527 T HN 0.075 nan 8.240 nan 0.000 0.443 528 L N 0.876 122.104 121.223 0.009 0.000 1.973 528 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 528 L C 2.789 179.631 176.870 -0.047 0.000 1.073 528 L CA 1.714 56.546 54.840 -0.014 0.000 0.746 528 L CB -1.323 40.738 42.059 0.004 0.000 0.891 528 L HN 0.508 nan 8.230 nan 0.000 0.433 529 C N 0.136 119.402 119.300 -0.056 0.000 2.398 529 C HA -0.104 4.355 4.460 -0.000 0.000 0.282 529 C C 2.608 177.483 174.990 -0.192 0.000 1.275 529 C CA 1.034 59.968 59.018 -0.142 0.000 1.797 529 C CB -1.800 25.842 27.740 -0.163 0.000 1.991 529 C HN 0.722 nan 8.230 nan 0.000 0.505 530 G N -0.438 108.303 108.800 -0.099 0.000 2.490 530 G HA2 0.007 3.967 3.960 -0.000 0.000 0.211 530 G HA3 0.007 3.967 3.960 -0.000 0.000 0.211 530 G C 1.496 176.375 174.900 -0.034 0.000 1.159 530 G CA 0.553 45.640 45.100 -0.022 0.000 0.819 530 G HN 0.592 nan 8.290 nan 0.000 0.539 531 I N 0.747 121.280 120.570 -0.061 0.000 2.502 531 I HA -0.189 3.981 4.170 -0.000 0.000 0.258 531 I C 2.603 178.626 176.117 -0.157 0.000 1.172 531 I CA 1.480 62.713 61.300 -0.111 0.000 1.430 531 I CB 0.043 37.989 38.000 -0.089 0.000 1.086 531 I HN 0.225 nan 8.210 nan 0.000 0.440 532 R N 1.026 121.445 120.500 -0.134 0.000 2.057 532 R HA -0.104 4.235 4.340 -0.000 0.000 0.224 532 R C 2.211 178.408 176.300 -0.172 0.000 1.136 532 R CA 0.996 57.012 56.100 -0.140 0.000 0.968 532 R CB -0.263 29.972 30.300 -0.108 0.000 0.863 532 R HN 0.231 nan 8.270 nan 0.000 0.433 533 K N 0.659 120.976 120.400 -0.140 0.000 2.160 533 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 533 K C 2.058 178.448 176.600 -0.351 0.000 1.047 533 K CA 1.342 57.568 56.287 -0.102 0.000 0.930 533 K CB -0.255 32.310 32.500 0.108 0.000 0.720 533 K HN 0.210 nan 8.250 nan 0.000 0.450 534 L N 0.918 121.786 121.223 -0.591 0.000 2.240 534 L HA -0.075 4.265 4.340 -0.000 0.000 0.211 534 L C 2.014 178.519 176.870 -0.608 0.000 1.106 534 L CA 1.585 55.806 54.840 -1.032 0.000 0.793 534 L CB -0.225 41.273 42.059 -0.934 0.000 0.927 534 L HN 0.007 nan 8.230 nan 0.000 0.446 535 T N 0.157 114.481 114.554 -0.382 0.000 2.809 535 T HA 0.068 4.418 4.350 -0.000 0.000 0.260 535 T C 0.876 175.424 174.700 -0.255 0.000 1.039 535 T CA 0.255 62.184 62.100 -0.284 0.000 1.141 535 T CB -0.345 68.399 68.868 -0.207 0.000 0.869 535 T HN 0.179 nan 8.240 nan 0.000 0.437 536 L N 1.626 122.718 121.223 -0.217 0.000 2.788 536 L HA -0.193 4.147 4.340 -0.000 0.000 0.337 536 L C 1.741 178.475 176.870 -0.228 0.000 1.269 536 L CA 0.246 54.979 54.840 -0.177 0.000 0.842 536 L CB 0.147 42.123 42.059 -0.139 0.000 1.070 536 L HN 0.199 nan 8.230 nan 0.000 0.559 537 R N 0.830 121.224 120.500 -0.178 0.000 2.115 537 R HA -0.129 4.211 4.340 -0.000 0.000 0.230 537 R C 1.285 177.386 176.300 -0.331 0.000 1.111 537 R CA 1.302 57.266 56.100 -0.226 0.000 0.976 537 R CB -0.233 30.008 30.300 -0.097 0.000 0.870 537 R HN 0.648 nan 8.270 nan 0.000 0.445 538 D N 0.337 120.635 120.400 -0.170 0.000 2.378 538 D HA -0.041 4.599 4.640 -0.000 0.000 0.227 538 D C -0.488 175.748 176.300 -0.108 0.000 1.012 538 D CA 0.727 54.690 54.000 -0.062 0.000 0.905 538 D CB 0.191 40.998 40.800 0.011 0.000 0.895 538 D HN -0.030 nan 8.370 nan 0.000 0.532 539 T N 0.493 114.852 114.554 -0.324 0.000 2.801 539 T HA 0.340 4.689 4.350 -0.000 0.000 0.306 539 T C -0.597 173.846 174.700 -0.429 0.000 1.020 539 T CA -0.408 61.536 62.100 -0.259 0.000 0.948 539 T CB 0.184 68.876 68.868 -0.293 0.000 0.962 539 T HN -0.132 nan 8.240 nan 0.000 0.465 540 F N 2.941 122.910 119.950 0.032 0.000 2.495 540 F HA 0.623 5.150 4.527 -0.000 0.000 0.327 540 F C 0.233 176.101 175.800 0.113 0.000 1.103 540 F CA -1.146 56.891 58.000 0.061 0.000 0.949 540 F CB 1.405 40.443 39.000 0.063 0.000 1.142 540 F HN 0.304 nan 8.300 nan 0.000 0.457 541 I N 2.914 123.682 120.570 0.329 0.000 2.433 541 I HA 0.294 4.464 4.170 -0.000 0.000 0.292 541 I C -0.335 175.994 176.117 0.353 0.000 1.001 541 I CA -0.793 60.670 61.300 0.272 0.000 1.119 541 I CB 1.814 39.905 38.000 0.152 0.000 1.289 541 I HN 0.642 nan 8.210 nan 0.000 0.438 542 E N 5.179 125.539 120.200 0.267 0.000 2.312 542 E HA 0.178 4.528 4.350 -0.000 0.000 0.259 542 E C 0.730 177.432 176.600 0.170 0.000 1.122 542 E CA -0.756 55.827 56.400 0.305 0.000 0.922 542 E CB 1.508 31.331 29.700 0.205 0.000 1.109 542 E HN 0.402 nan 8.360 nan 0.000 0.442 543 L N 2.148 123.524 121.223 0.255 0.000 1.978 543 L HA -0.366 3.974 4.340 -0.000 0.000 0.235 543 L C 2.027 178.825 176.870 -0.121 0.000 1.094 543 L CA 3.027 57.847 54.840 -0.033 0.000 0.814 543 L CB -1.103 41.058 42.059 0.170 0.000 0.911 543 L HN 0.972 nan 8.230 nan 0.000 0.442 544 D N -1.080 119.317 120.400 -0.005 0.000 2.412 544 D HA -0.385 4.255 4.640 -0.000 0.000 0.191 544 D C 1.879 178.168 176.300 -0.017 0.000 1.019 544 D CA 2.658 56.660 54.000 0.003 0.000 0.866 544 D CB -0.866 39.960 40.800 0.043 0.000 0.966 544 D HN 0.742 nan 8.370 nan 0.000 0.459 545 Q N 0.143 119.934 119.800 -0.015 0.000 2.050 545 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 545 Q C 2.757 178.706 176.000 -0.084 0.000 0.980 545 Q CA 1.324 57.117 55.803 -0.018 0.000 0.840 545 Q CB -0.051 28.663 28.738 -0.040 0.000 0.898 545 Q HN 0.255 nan 8.270 nan 0.000 0.424 546 V N 1.458 121.234 119.914 -0.230 0.000 2.363 546 V HA -0.339 3.781 4.120 -0.000 0.000 0.254 546 V C 2.185 178.040 176.094 -0.398 0.000 1.074 546 V CA 1.744 63.776 62.300 -0.446 0.000 1.069 546 V CB -0.620 30.567 31.823 -1.060 0.000 0.659 546 V HN 0.343 nan 8.190 nan 0.000 0.455 547 L N -0.379 120.662 121.223 -0.303 0.000 1.973 547 L HA -0.133 4.206 4.340 -0.000 0.000 0.208 547 L C 2.495 179.312 176.870 -0.088 0.000 1.073 547 L CA 1.758 56.458 54.840 -0.234 0.000 0.746 547 L CB -0.961 41.018 42.059 -0.134 0.000 0.891 547 L HN 0.313 nan 8.230 nan 0.000 0.433 548 N N 0.097 118.845 118.700 0.080 0.000 2.096 548 N HA -0.243 4.497 4.740 -0.000 0.000 0.195 548 N C 1.823 177.581 175.510 0.414 0.000 1.017 548 N CA 1.775 54.985 53.050 0.267 0.000 0.870 548 N CB -0.328 38.407 38.487 0.413 0.000 1.024 548 N HN 0.376 nan 8.380 nan 0.000 0.434 549 M N 0.494 120.311 119.600 0.363 0.000 2.059 549 M HA -0.123 4.357 4.480 -0.000 0.000 0.259 549 M C 2.324 178.669 176.300 0.075 0.000 1.072 549 M CA 1.241 56.725 55.300 0.307 0.000 1.117 549 M CB -0.703 31.950 32.600 0.088 0.000 1.320 549 M HN 0.062 nan 8.290 nan 0.000 0.408 550 L N -0.685 120.393 121.223 -0.242 0.000 2.030 550 L HA -0.325 4.015 4.340 -0.000 0.000 0.222 550 L C 2.729 179.385 176.870 -0.356 0.000 1.082 550 L CA 1.843 56.278 54.840 -0.675 0.000 0.785 550 L CB -0.891 40.343 42.059 -1.376 0.000 0.895 550 L HN 0.269 nan 8.230 nan 0.000 0.439 551 Y N -0.722 119.405 120.300 -0.289 0.000 2.114 551 Y HA -0.316 4.234 4.550 -0.000 0.000 0.282 551 Y C 2.200 178.140 175.900 0.067 0.000 1.165 551 Y CA 1.347 59.446 58.100 -0.002 0.000 1.148 551 Y CB -0.990 37.442 38.460 -0.046 0.000 0.972 551 Y HN 0.143 nan 8.280 nan 0.000 0.504 552 W N 0.056 121.262 121.300 -0.157 0.000 2.313 552 W HA -0.164 4.496 4.660 -0.000 0.000 0.293 552 W C 0.712 177.148 176.519 -0.137 0.000 1.216 552 W CA 1.413 58.620 57.345 -0.230 0.000 1.223 552 W CB -0.505 28.870 29.460 -0.142 0.000 1.138 552 W HN -0.280 nan 8.180 nan 0.000 0.535 553 V N 3.794 123.836 119.914 0.213 0.000 2.387 553 V HA -0.024 4.096 4.120 -0.000 0.000 0.260 553 V C -0.819 175.386 176.094 0.186 0.000 1.054 553 V CA -0.905 61.504 62.300 0.181 0.000 0.967 553 V CB 0.416 32.334 31.823 0.158 0.000 1.036 553 V HN -0.057 nan 8.190 nan 0.000 0.481 554 P HA -0.141 nan 4.420 nan 0.000 0.222 554 P C 0.475 177.850 177.300 0.124 0.000 1.142 554 P CA 1.226 64.379 63.100 0.087 0.000 0.788 554 P CB 0.452 32.183 31.700 0.053 0.000 0.767 555 D N -2.630 117.865 120.400 0.158 0.000 2.433 555 D HA 0.003 4.643 4.640 -0.000 0.000 0.211 555 D C 0.321 176.735 176.300 0.189 0.000 1.114 555 D CA -0.414 53.668 54.000 0.136 0.000 0.837 555 D CB -0.300 40.563 40.800 0.105 0.000 0.984 555 D HN 0.149 nan 8.370 nan 0.000 0.505 556 W N 5.357 126.694 121.300 0.062 0.000 2.611 556 W HA -0.099 4.560 4.660 -0.000 0.000 0.346 556 W C 1.067 177.623 176.519 0.061 0.000 1.365 556 W CA -0.600 56.786 57.345 0.069 0.000 1.313 556 W CB 0.174 29.692 29.460 0.096 0.000 1.351 556 W HN 0.000 nan 8.180 nan 0.000 0.576 557 D N 4.195 124.499 120.400 -0.159 0.000 2.420 557 D HA -0.112 4.528 4.640 -0.000 0.000 0.233 557 D C 1.470 177.338 176.300 -0.720 0.000 1.017 557 D CA 0.964 54.781 54.000 -0.305 0.000 0.951 557 D CB -0.789 39.942 40.800 -0.114 0.000 0.877 557 D HN 0.816 nan 8.370 nan 0.000 0.528 558 G N -0.312 107.407 108.800 -1.802 0.000 2.295 558 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.287 558 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.287 558 G C -0.089 174.151 174.900 -1.099 0.000 1.055 558 G CA 0.187 43.934 45.100 -2.255 0.000 0.922 558 G HN 0.411 nan 8.290 nan 0.000 0.503 559 V N 2.275 121.883 119.914 -0.509 0.000 2.340 559 V HA 0.345 4.465 4.120 -0.000 0.000 0.277 559 V C 0.906 177.356 176.094 0.594 0.000 1.017 559 V CA -0.915 61.471 62.300 0.143 0.000 0.820 559 V CB 1.068 32.949 31.823 0.097 0.000 1.028 559 V HN 0.490 nan 8.190 nan 0.000 0.436 560 I N 5.306 126.228 120.570 0.586 0.000 2.752 560 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 560 I C -1.668 174.673 176.117 0.374 0.000 1.180 560 I CA -1.031 60.542 61.300 0.455 0.000 1.404 560 I CB -0.071 38.128 38.000 0.332 0.000 1.389 560 I HN 0.360 nan 8.210 nan 0.000 0.549 561 P HA 0.104 nan 4.420 nan 0.000 0.276 561 P C -0.342 177.207 177.300 0.414 0.000 1.230 561 P CA -0.282 63.023 63.100 0.341 0.000 0.776 561 P CB 0.699 32.577 31.700 0.297 0.000 0.888 562 T N 4.972 119.658 114.554 0.220 0.000 2.778 562 T HA 0.086 4.436 4.350 -0.000 0.000 0.282 562 T C -2.064 172.588 174.700 -0.079 0.000 0.983 562 T CA -0.575 61.577 62.100 0.088 0.000 1.193 562 T CB -1.150 67.740 68.868 0.036 0.000 0.938 562 T HN 0.366 nan 8.240 nan 0.000 0.523 563 P HA 0.057 nan 4.420 nan 0.000 0.263 563 P C 0.704 177.740 177.300 -0.440 0.000 1.175 563 P CA -0.023 62.466 63.100 -1.017 0.000 0.761 563 P CB 0.345 31.249 31.700 -1.327 0.000 0.794 564 A N 4.645 127.288 122.820 -0.295 0.000 1.883 564 A HA -0.116 4.204 4.320 -0.000 0.000 0.217 564 A C 1.038 178.557 177.584 -0.109 0.000 1.186 564 A CA 1.366 53.347 52.037 -0.092 0.000 0.624 564 A CB -0.744 18.279 19.000 0.038 0.000 0.822 564 A HN 0.538 nan 8.150 nan 0.000 0.444 565 I N -1.379 119.092 120.570 -0.165 0.000 2.607 565 I HA 0.377 4.547 4.170 -0.000 0.000 0.305 565 I C 0.602 176.574 176.117 -0.243 0.000 0.995 565 I CA -0.270 60.929 61.300 -0.169 0.000 1.148 565 I CB 1.754 39.649 38.000 -0.175 0.000 1.323 565 I HN 0.196 nan 8.210 nan 0.000 0.461 566 I N 1.838 122.302 120.570 -0.178 0.000 4.317 566 I HA -0.042 4.128 4.170 -0.000 0.000 0.289 566 I C 1.587 177.635 176.117 -0.115 0.000 1.164 566 I CA -0.119 61.083 61.300 -0.163 0.000 1.312 566 I CB -0.014 37.908 38.000 -0.129 0.000 1.569 566 I HN 0.606 nan 8.210 nan 0.000 0.450 567 K N 3.267 123.610 120.400 -0.096 0.000 2.602 567 K HA -0.251 4.069 4.320 -0.000 0.000 0.205 567 K C -1.119 175.441 176.600 -0.066 0.000 0.668 567 K CA 1.993 58.236 56.287 -0.074 0.000 0.845 567 K CB -2.612 29.842 32.500 -0.076 0.000 0.262 567 K HN 0.156 nan 8.250 nan 0.000 1.061 568 P HA -0.103 nan 4.420 nan 0.000 0.215 568 P C -0.082 177.190 177.300 -0.047 0.000 1.160 568 P CA 1.329 64.399 63.100 -0.049 0.000 0.869 568 P CB 0.134 31.808 31.700 -0.044 0.000 0.782 569 K N 1.558 121.921 120.400 -0.061 0.000 2.394 569 K HA 0.330 4.650 4.320 -0.000 0.000 0.260 569 K C -2.543 174.006 176.600 -0.085 0.000 0.967 569 K CA -2.582 53.677 56.287 -0.047 0.000 0.855 569 K CB 1.762 34.243 32.500 -0.030 0.000 1.101 569 K HN -0.074 nan 8.250 nan 0.000 0.433 570 P HA 0.094 nan 4.420 nan 0.000 0.276 570 P C -1.093 176.054 177.300 -0.256 0.000 1.264 570 P CA -0.328 62.631 63.100 -0.235 0.000 0.769 570 P CB 0.782 32.336 31.700 -0.243 0.000 0.840 571 L N 4.148 125.187 121.223 -0.307 0.000 2.256 571 L HA 0.633 4.972 4.340 -0.000 0.000 0.261 571 L C -0.040 176.754 176.870 -0.127 0.000 1.022 571 L CA -0.512 54.322 54.840 -0.010 0.000 0.828 571 L CB 1.315 43.425 42.059 0.084 0.000 1.374 571 L HN 0.425 nan 8.230 nan 0.000 0.436 572 W N -0.090 121.301 121.300 0.151 0.000 2.936 572 W HA 0.537 5.197 4.660 -0.000 0.000 0.338 572 W C -0.372 176.207 176.519 0.101 0.000 1.121 572 W CA -0.783 56.625 57.345 0.106 0.000 1.209 572 W CB 2.197 31.681 29.460 0.039 0.000 1.420 572 W HN 0.505 nan 8.180 nan 0.000 0.516 573 S N 0.021 115.844 115.700 0.206 0.000 2.585 573 S HA 0.415 4.884 4.470 -0.000 0.000 0.277 573 S C 1.060 175.595 174.600 -0.108 0.000 1.241 573 S CA 0.183 58.344 58.200 -0.065 0.000 1.041 573 S CB 1.724 64.830 63.200 -0.158 0.000 0.987 573 S HN 0.659 nan 8.310 nan 0.000 0.512 574 G N 2.427 111.071 108.800 -0.261 0.000 2.513 574 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 574 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 574 G C 1.284 176.035 174.900 -0.249 0.000 1.160 574 G CA 0.978 45.871 45.100 -0.344 0.000 0.767 574 G HN 0.829 nan 8.290 nan 0.000 0.571 575 K N 0.001 120.272 120.400 -0.215 0.000 2.044 575 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 575 K C 2.570 179.113 176.600 -0.095 0.000 1.049 575 K CA 1.468 57.662 56.287 -0.155 0.000 0.927 575 K CB -0.329 32.092 32.500 -0.133 0.000 0.713 575 K HN 0.388 nan 8.250 nan 0.000 0.443 576 Q N 0.753 120.522 119.800 -0.052 0.000 1.998 576 Q HA -0.221 4.119 4.340 -0.000 0.000 0.209 576 Q C 2.330 178.339 176.000 0.016 0.000 1.002 576 Q CA 2.358 58.174 55.803 0.022 0.000 0.858 576 Q CB -0.292 28.516 28.738 0.117 0.000 0.932 576 Q HN 0.528 nan 8.270 nan 0.000 0.416 577 I N -1.729 118.832 120.570 -0.014 0.000 2.286 577 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 577 I C 2.302 178.376 176.117 -0.071 0.000 1.104 577 I CA 0.770 62.035 61.300 -0.058 0.000 1.397 577 I CB -0.601 37.326 38.000 -0.122 0.000 1.072 577 I HN 0.198 nan 8.210 nan 0.000 0.417 578 L N 2.099 123.261 121.223 -0.102 0.000 2.137 578 L HA -0.203 4.137 4.340 -0.000 0.000 0.213 578 L C 2.434 179.268 176.870 -0.060 0.000 1.085 578 L CA 2.015 56.797 54.840 -0.097 0.000 0.760 578 L CB -1.018 40.960 42.059 -0.135 0.000 0.893 578 L HN 0.279 nan 8.230 nan 0.000 0.434 579 S N -1.062 114.609 115.700 -0.049 0.000 2.419 579 S HA -0.147 4.323 4.470 -0.000 0.000 0.235 579 S C 1.924 176.528 174.600 0.006 0.000 1.019 579 S CA 1.255 59.440 58.200 -0.025 0.000 0.982 579 S CB -0.588 62.603 63.200 -0.015 0.000 0.789 579 S HN 0.411 nan 8.310 nan 0.000 0.490 580 V N 1.634 121.557 119.914 0.015 0.000 2.867 580 V HA -0.147 3.973 4.120 -0.000 0.000 0.260 580 V C 2.421 178.552 176.094 0.061 0.000 1.099 580 V CA 1.454 63.788 62.300 0.055 0.000 1.122 580 V CB -1.147 30.695 31.823 0.030 0.000 0.708 580 V HN 0.570 nan 8.190 nan 0.000 0.490 581 A N -0.397 122.439 122.820 0.027 0.000 2.072 581 A HA 0.202 4.522 4.320 -0.000 0.000 0.216 581 A C 1.130 178.728 177.584 0.022 0.000 1.156 581 A CA 0.347 52.402 52.037 0.030 0.000 0.701 581 A CB -0.234 18.769 19.000 0.005 0.000 0.816 581 A HN 0.513 nan 8.150 nan 0.000 0.458 582 I N 2.760 123.336 120.570 0.010 0.000 2.301 582 I HA 0.188 4.358 4.170 -0.000 0.000 0.292 582 I C -1.832 174.298 176.117 0.022 0.000 1.046 582 I CA -2.224 59.078 61.300 0.003 0.000 1.282 582 I CB 0.972 38.961 38.000 -0.019 0.000 1.409 582 I HN 0.140 nan 8.210 nan 0.000 0.484 583 P HA -0.072 nan 4.420 nan 0.000 0.275 583 P C -0.833 176.487 177.300 0.033 0.000 1.262 583 P CA 0.028 63.151 63.100 0.038 0.000 0.834 583 P CB 0.499 32.222 31.700 0.038 0.000 1.098 584 N N -1.515 117.206 118.700 0.035 0.000 2.472 584 N HA 0.376 5.116 4.740 -0.000 0.000 0.289 584 N C 1.154 176.683 175.510 0.032 0.000 1.156 584 N CA 0.317 53.385 53.050 0.030 0.000 0.940 584 N CB 0.890 39.395 38.487 0.029 0.000 1.200 584 N HN 0.796 nan 8.380 nan 0.000 0.511 585 G N -0.095 108.723 108.800 0.029 0.000 2.157 585 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.248 585 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.248 585 G C -0.067 174.876 174.900 0.071 0.000 0.979 585 G CA -0.330 44.796 45.100 0.044 0.000 0.650 585 G HN 0.456 nan 8.290 nan 0.000 0.529 586 I N 1.337 121.939 120.570 0.052 0.000 2.428 586 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 586 I C 0.176 176.340 176.117 0.078 0.000 1.019 586 I CA -0.403 60.934 61.300 0.061 0.000 1.351 586 I CB 1.213 39.228 38.000 0.024 0.000 1.412 586 I HN 0.204 nan 8.210 nan 0.000 0.513 587 H N 6.947 126.027 119.070 0.017 0.000 2.856 587 H HA 0.572 5.128 4.556 -0.000 0.000 0.355 587 H C -1.940 173.393 175.328 0.009 0.000 1.079 587 H CA -0.706 55.354 56.048 0.019 0.000 1.240 587 H CB 2.001 31.787 29.762 0.040 0.000 1.701 587 H HN 0.400 nan 8.280 nan 0.000 0.527 588 L N 4.459 125.832 121.223 0.250 0.000 2.580 588 L HA 0.315 4.655 4.340 -0.000 0.000 0.266 588 L C -1.234 175.710 176.870 0.123 0.000 0.955 588 L CA -0.094 54.846 54.840 0.167 0.000 0.886 588 L CB 1.874 43.952 42.059 0.032 0.000 1.263 588 L HN 0.645 nan 8.230 nan 0.000 0.406 589 Q N 3.551 123.460 119.800 0.182 0.000 2.312 589 Q HA 0.546 4.885 4.340 -0.000 0.000 0.263 589 Q C -0.166 175.942 176.000 0.181 0.000 0.995 589 Q CA -0.453 55.470 55.803 0.200 0.000 0.853 589 Q CB 3.000 31.940 28.738 0.337 0.000 1.300 589 Q HN 0.692 nan 8.270 nan 0.000 0.448 590 R N 1.818 122.413 120.500 0.158 0.000 1.963 590 R HA 0.290 4.630 4.340 -0.000 0.000 0.144 590 R C -0.881 175.649 176.300 0.383 0.000 2.032 590 R CA 0.093 56.287 56.100 0.157 0.000 1.626 590 R CB 0.718 31.006 30.300 -0.020 0.000 1.334 590 R HN 0.616 nan 8.270 nan 0.000 0.480 591 F N 1.917 121.904 119.950 0.061 0.000 2.195 591 F HA -0.210 4.317 4.527 -0.000 0.000 0.491 591 F C 0.066 175.895 175.800 0.049 0.000 1.250 591 F CA 0.235 58.285 58.000 0.083 0.000 1.581 591 F CB -0.928 38.120 39.000 0.080 0.000 2.495 591 F HN 0.392 nan 8.300 nan 0.000 0.735 592 D N 1.792 122.280 120.400 0.147 0.000 1.971 592 D HA 0.075 4.714 4.640 -0.000 0.000 0.300 592 D C 1.507 177.871 176.300 0.107 0.000 1.091 592 D CA 0.570 54.628 54.000 0.096 0.000 0.835 592 D CB 0.104 40.933 40.800 0.048 0.000 1.002 592 D HN 0.658 nan 8.370 nan 0.000 0.343 593 E N -0.018 120.227 120.200 0.075 0.000 3.122 593 E HA 0.245 4.594 4.350 -0.000 0.000 0.367 593 E C 0.918 177.568 176.600 0.083 0.000 0.496 593 E CA -0.195 56.245 56.400 0.067 0.000 1.980 593 E CB -0.400 29.322 29.700 0.037 0.000 2.034 593 E HN 0.235 nan 8.360 nan 0.000 0.508 594 G N 1.804 110.638 108.800 0.057 0.000 2.686 594 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.280 594 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.280 594 G C -0.571 174.369 174.900 0.066 0.000 0.666 594 G CA 0.395 45.528 45.100 0.055 0.000 2.114 594 G HN 0.016 nan 8.290 nan 0.000 0.553 595 T N 0.804 115.432 114.554 0.124 0.000 2.797 595 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 595 T C 0.437 175.253 174.700 0.193 0.000 0.991 595 T CA -0.386 61.787 62.100 0.122 0.000 0.979 595 T CB 1.607 70.570 68.868 0.159 0.000 0.943 595 T HN 0.337 nan 8.240 nan 0.000 0.444 596 T N 0.764 115.344 114.554 0.043 0.000 4.076 596 T HA 0.268 4.618 4.350 -0.000 0.000 0.222 596 T C 0.254 174.915 174.700 -0.065 0.000 1.008 596 T CA -0.778 61.375 62.100 0.088 0.000 1.486 596 T CB -0.677 68.217 68.868 0.042 0.000 0.828 596 T HN 0.427 nan 8.240 nan 0.000 0.625 597 L N 0.259 121.365 121.223 -0.195 0.000 3.905 597 L HA -0.178 4.162 4.340 -0.000 0.000 0.437 597 L C 0.776 177.354 176.870 -0.487 0.000 1.152 597 L CA 1.054 55.666 54.840 -0.380 0.000 0.935 597 L CB -1.619 40.420 42.059 -0.034 0.000 1.841 597 L HN 0.754 nan 8.230 nan 0.000 0.998 598 L N -1.452 119.442 121.223 -0.549 0.000 4.743 598 L HA 0.057 4.397 4.340 -0.000 0.000 0.479 598 L C 0.722 177.412 176.870 -0.301 0.000 0.994 598 L CA 0.451 55.066 54.840 -0.376 0.000 1.804 598 L CB 0.252 42.197 42.059 -0.191 0.000 1.587 598 L HN 0.276 nan 8.230 nan 0.000 0.582 599 S N 1.002 116.482 115.700 -0.367 0.000 4.080 599 S HA -0.079 4.391 4.470 -0.000 0.000 0.487 599 S C -1.006 173.541 174.600 -0.088 0.000 0.925 599 S CA -0.182 57.921 58.200 -0.162 0.000 1.594 599 S CB -0.521 62.642 63.200 -0.061 0.000 0.960 599 S HN 0.385 nan 8.310 nan 0.000 0.565 600 P HA -0.162 nan 4.420 nan 0.000 0.215 600 P C 0.902 178.192 177.300 -0.017 0.000 1.153 600 P CA 1.309 64.388 63.100 -0.035 0.000 0.853 600 P CB 0.100 31.786 31.700 -0.024 0.000 0.788 601 K N -0.891 119.505 120.400 -0.007 0.000 2.525 601 K HA -0.043 4.277 4.320 -0.000 0.000 0.192 601 K C 0.056 176.660 176.600 0.006 0.000 1.029 601 K CA 0.305 56.592 56.287 0.001 0.000 1.029 601 K CB -0.552 31.951 32.500 0.005 0.000 0.814 601 K HN -0.011 nan 8.250 nan 0.000 0.503 602 D N 1.014 121.423 120.400 0.015 0.000 2.718 602 D HA -0.148 4.492 4.640 -0.000 0.000 0.242 602 D C -0.665 175.663 176.300 0.046 0.000 1.123 602 D CA 0.395 54.422 54.000 0.046 0.000 0.690 602 D CB -0.993 39.815 40.800 0.014 0.000 1.059 602 D HN 0.191 nan 8.370 nan 0.000 0.429 603 N N -0.279 118.455 118.700 0.057 0.000 2.418 603 N HA 0.578 5.318 4.740 -0.000 0.000 0.283 603 N C 1.540 177.072 175.510 0.037 0.000 1.267 603 N CA 0.299 53.370 53.050 0.036 0.000 0.975 603 N CB 0.011 38.520 38.487 0.036 0.000 1.167 603 N HN 0.403 nan 8.380 nan 0.000 0.581 604 G N 0.504 109.300 108.800 -0.006 0.000 2.602 604 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.317 604 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.317 604 G C -0.144 174.632 174.900 -0.206 0.000 1.327 604 G CA 1.091 46.147 45.100 -0.073 0.000 0.971 604 G HN 0.707 nan 8.290 nan 0.000 0.540 605 M N -2.025 117.314 119.600 -0.434 0.000 2.564 605 M HA 0.462 4.942 4.480 -0.000 0.000 0.278 605 M C -2.303 173.507 176.300 -0.816 0.000 0.975 605 M CA -0.771 54.099 55.300 -0.717 0.000 0.850 605 M CB 1.075 33.449 32.600 -0.377 0.000 1.845 605 M HN 1.284 nan 8.290 nan 0.000 0.561 606 L N 6.014 126.523 121.223 -1.190 0.000 2.341 606 L HA 0.808 5.148 4.340 -0.000 0.000 0.278 606 L C -1.801 174.837 176.870 -0.387 0.000 1.005 606 L CA -0.329 54.122 54.840 -0.649 0.000 0.818 606 L CB 1.840 43.602 42.059 -0.496 0.000 1.259 606 L HN 0.733 nan 8.230 nan 0.000 0.418 607 I N 6.460 126.883 120.570 -0.246 0.000 2.468 607 I HA 0.431 4.601 4.170 -0.000 0.000 0.285 607 I C -0.888 175.083 176.117 -0.244 0.000 1.039 607 I CA -0.305 60.881 61.300 -0.191 0.000 1.074 607 I CB 1.818 39.735 38.000 -0.137 0.000 1.228 607 I HN 0.491 nan 8.210 nan 0.000 0.436 608 I N 5.101 125.546 120.570 -0.208 0.000 2.465 608 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 608 I C -0.084 175.968 176.117 -0.109 0.000 1.014 608 I CA -0.390 60.760 61.300 -0.250 0.000 1.093 608 I CB 1.805 39.684 38.000 -0.203 0.000 1.267 608 I HN 0.641 nan 8.210 nan 0.000 0.431 609 D N 5.265 125.618 120.400 -0.077 0.000 2.692 609 D HA -0.198 4.441 4.640 -0.000 0.000 0.233 609 D C 0.970 177.265 176.300 -0.008 0.000 1.172 609 D CA 1.428 55.421 54.000 -0.013 0.000 0.636 609 D CB -0.651 40.157 40.800 0.013 0.000 1.028 609 D HN 1.091 nan 8.370 nan 0.000 0.419 610 G N 0.130 108.919 108.800 -0.018 0.000 2.249 610 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.273 610 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.273 610 G C -0.226 174.664 174.900 -0.017 0.000 1.036 610 G CA 0.581 45.674 45.100 -0.011 0.000 0.824 610 G HN 0.512 nan 8.290 nan 0.000 0.504 611 Q N -0.666 119.112 119.800 -0.037 0.000 2.274 611 Q HA 0.398 4.737 4.340 -0.000 0.000 0.268 611 Q C 0.394 176.356 176.000 -0.063 0.000 1.015 611 Q CA -0.817 54.966 55.803 -0.033 0.000 0.775 611 Q CB 1.708 30.441 28.738 -0.008 0.000 1.256 611 Q HN 0.405 nan 8.270 nan 0.000 0.442 612 I N 4.048 124.574 120.570 -0.073 0.000 2.769 612 I HA -0.129 4.041 4.170 -0.000 0.000 0.285 612 I C 1.414 177.485 176.117 -0.077 0.000 1.173 612 I CA 0.473 61.708 61.300 -0.108 0.000 1.389 612 I CB 0.303 38.236 38.000 -0.112 0.000 1.404 612 I HN 0.627 nan 8.210 nan 0.000 0.544 613 I N 7.101 127.619 120.570 -0.087 0.000 2.339 613 I HA -0.030 4.140 4.170 -0.000 0.000 0.245 613 I C 0.408 176.595 176.117 0.117 0.000 1.096 613 I CA 0.902 62.217 61.300 0.025 0.000 1.408 613 I CB 0.068 38.120 38.000 0.088 0.000 1.092 613 I HN 0.521 nan 8.210 nan 0.000 0.423 614 F N -0.357 119.541 119.950 -0.087 0.000 2.693 614 F HA 0.729 5.256 4.527 -0.000 0.000 0.309 614 F C -0.498 175.234 175.800 -0.113 0.000 1.129 614 F CA -0.887 57.055 58.000 -0.098 0.000 0.948 614 F CB 0.843 39.784 39.000 -0.099 0.000 1.315 614 F HN -0.003 nan 8.300 nan 0.000 0.447 615 G N 1.172 109.990 108.800 0.030 0.000 3.067 615 G HA2 0.199 4.158 3.960 -0.000 0.000 0.686 615 G HA3 0.199 4.158 3.960 -0.000 0.000 0.686 615 G C -1.419 173.410 174.900 -0.118 0.000 1.119 615 G CA -0.707 44.344 45.100 -0.081 0.000 0.790 615 G HN 1.257 nan 8.290 nan 0.000 0.605 616 V N 2.575 122.440 119.914 -0.081 0.000 2.529 616 V HA 0.260 4.380 4.120 -0.000 0.000 0.292 616 V C 1.364 177.393 176.094 -0.107 0.000 1.028 616 V CA -0.257 61.985 62.300 -0.097 0.000 1.074 616 V CB 1.149 32.928 31.823 -0.074 0.000 0.958 616 V HN 0.820 nan 8.190 nan 0.000 0.481 617 V N 5.922 125.763 119.914 -0.121 0.000 2.530 617 V HA 0.603 4.723 4.120 -0.000 0.000 0.282 617 V C 0.054 176.091 176.094 -0.095 0.000 1.048 617 V CA -0.085 62.147 62.300 -0.114 0.000 0.997 617 V CB 0.976 32.724 31.823 -0.125 0.000 0.987 617 V HN 1.195 nan 8.190 nan 0.000 0.477 618 E N 2.121 122.274 120.200 -0.077 0.000 2.427 618 E HA 0.285 4.635 4.350 -0.000 0.000 0.279 618 E C 0.341 176.915 176.600 -0.045 0.000 1.120 618 E CA -0.760 55.604 56.400 -0.060 0.000 0.869 618 E CB 0.513 30.182 29.700 -0.053 0.000 1.393 618 E HN 0.187 nan 8.360 nan 0.000 0.443 619 K N 0.498 120.880 120.400 -0.030 0.000 2.127 619 K HA -0.413 3.907 4.320 -0.000 0.000 0.222 619 K C 1.462 178.052 176.600 -0.017 0.000 1.034 619 K CA 3.017 59.293 56.287 -0.017 0.000 0.955 619 K CB -0.297 32.201 32.500 -0.004 0.000 0.786 619 K HN 0.501 nan 8.250 nan 0.000 0.465 620 K N -0.931 119.459 120.400 -0.016 0.000 2.074 620 K HA -0.145 4.175 4.320 -0.000 0.000 0.209 620 K C 2.151 178.739 176.600 -0.020 0.000 1.048 620 K CA 2.213 58.493 56.287 -0.012 0.000 0.926 620 K CB -0.184 32.310 32.500 -0.010 0.000 0.713 620 K HN 0.358 nan 8.250 nan 0.000 0.444 621 T N -0.174 114.357 114.554 -0.039 0.000 2.851 621 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 621 T C 1.605 176.271 174.700 -0.057 0.000 1.043 621 T CA 0.804 62.872 62.100 -0.053 0.000 1.140 621 T CB 0.219 69.040 68.868 -0.078 0.000 0.872 621 T HN 0.009 nan 8.240 nan 0.000 0.446 622 V N 1.199 121.076 119.914 -0.062 0.000 3.176 622 V HA 0.521 4.641 4.120 -0.000 0.000 0.332 622 V C 0.847 176.902 176.094 -0.066 0.000 1.414 622 V CA -0.087 62.166 62.300 -0.080 0.000 1.133 622 V CB -0.325 31.445 31.823 -0.087 0.000 1.088 622 V HN 0.466 nan 8.190 nan 0.000 0.473 623 G N 0.074 108.851 108.800 -0.038 0.000 2.583 623 G HA2 0.316 4.276 3.960 -0.000 0.000 0.280 623 G HA3 0.316 4.276 3.960 -0.000 0.000 0.280 623 G C 0.790 175.682 174.900 -0.013 0.000 1.376 623 G CA 0.413 45.503 45.100 -0.016 0.000 1.043 623 G HN 0.540 nan 8.290 nan 0.000 0.538 624 S N -0.753 114.948 115.700 0.001 0.000 2.803 624 S HA 0.173 4.643 4.470 -0.000 0.000 0.228 624 S C 1.156 175.753 174.600 -0.005 0.000 0.953 624 S CA 0.332 58.529 58.200 -0.006 0.000 0.983 624 S CB -0.905 62.295 63.200 -0.001 0.000 0.784 624 S HN 0.970 nan 8.310 nan 0.000 0.498 625 S N 1.089 116.796 115.700 0.011 0.000 2.589 625 S HA 0.219 4.689 4.470 -0.000 0.000 0.265 625 S C 1.024 175.669 174.600 0.075 0.000 1.342 625 S CA -0.509 57.712 58.200 0.034 0.000 1.005 625 S CB 0.392 63.610 63.200 0.031 0.000 0.909 625 S HN 0.359 nan 8.310 nan 0.000 0.555 626 N N 1.751 120.524 118.700 0.121 0.000 2.053 626 N HA -0.009 4.730 4.740 -0.000 0.000 0.187 626 N C 1.448 177.160 175.510 0.337 0.000 1.089 626 N CA 1.593 54.813 53.050 0.283 0.000 0.888 626 N CB -1.311 37.296 38.487 0.200 0.000 1.047 626 N HN 0.913 nan 8.380 nan 0.000 0.434 627 G N 0.598 109.473 108.800 0.125 0.000 3.180 627 G HA2 0.289 4.249 3.960 -0.000 0.000 0.246 627 G HA3 0.289 4.249 3.960 -0.000 0.000 0.246 627 G C 0.484 175.415 174.900 0.052 0.000 0.939 627 G CA 0.214 45.329 45.100 0.025 0.000 1.920 627 G HN 0.444 nan 8.290 nan 0.000 0.612 628 G N -0.711 108.147 108.800 0.096 0.000 2.543 628 G HA2 0.361 4.321 3.960 -0.000 0.000 0.290 628 G HA3 0.361 4.321 3.960 -0.000 0.000 0.290 628 G C 1.061 175.976 174.900 0.025 0.000 1.310 628 G CA -0.810 44.315 45.100 0.042 0.000 1.025 628 G HN 0.235 nan 8.290 nan 0.000 0.502 629 L N -0.413 120.797 121.223 -0.022 0.000 2.012 629 L HA -0.083 4.256 4.340 -0.000 0.000 0.210 629 L C 2.850 179.696 176.870 -0.040 0.000 1.073 629 L CA 1.155 55.971 54.840 -0.041 0.000 0.748 629 L CB -0.281 41.729 42.059 -0.080 0.000 0.891 629 L HN 0.539 nan 8.230 nan 0.000 0.431 630 I N -1.270 119.254 120.570 -0.077 0.000 2.099 630 I HA -0.390 3.780 4.170 -0.000 0.000 0.239 630 I C 2.569 178.704 176.117 0.031 0.000 1.066 630 I CA 1.406 62.650 61.300 -0.094 0.000 1.324 630 I CB -0.955 36.942 38.000 -0.172 0.000 1.037 630 I HN 0.378 nan 8.210 nan 0.000 0.401 631 H N 1.280 120.327 119.070 -0.038 0.000 2.362 631 H HA -0.177 4.379 4.556 -0.000 0.000 0.294 631 H C 2.081 177.408 175.328 -0.001 0.000 1.113 631 H CA 2.153 58.194 56.048 -0.011 0.000 1.253 631 H CB -0.402 29.357 29.762 -0.004 0.000 1.363 631 H HN 0.146 nan 8.280 nan 0.000 0.494 632 V N -0.245 119.746 119.914 0.128 0.000 2.221 632 V HA -0.236 3.883 4.120 -0.000 0.000 0.240 632 V C 2.923 179.054 176.094 0.063 0.000 1.041 632 V CA 1.634 63.967 62.300 0.054 0.000 0.991 632 V CB -1.200 30.642 31.823 0.032 0.000 0.634 632 V HN 0.240 nan 8.190 nan 0.000 0.450 633 V N 0.713 120.653 119.914 0.044 0.000 2.277 633 V HA -0.376 3.743 4.120 -0.000 0.000 0.253 633 V C 2.606 178.733 176.094 0.056 0.000 1.067 633 V CA 2.897 65.219 62.300 0.037 0.000 1.047 633 V CB -1.637 30.189 31.823 0.006 0.000 0.649 633 V HN 0.705 nan 8.190 nan 0.000 0.447 634 T N -0.540 114.055 114.554 0.069 0.000 2.720 634 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 634 T C 2.049 176.804 174.700 0.092 0.000 1.037 634 T CA 1.339 63.487 62.100 0.081 0.000 1.144 634 T CB -0.253 68.665 68.868 0.082 0.000 0.864 634 T HN 0.309 nan 8.240 nan 0.000 0.444 635 R N 0.463 121.031 120.500 0.113 0.000 2.161 635 R HA 0.149 4.489 4.340 -0.000 0.000 0.213 635 R C 2.363 178.703 176.300 0.066 0.000 1.055 635 R CA 0.828 56.989 56.100 0.103 0.000 0.996 635 R CB -0.210 30.153 30.300 0.105 0.000 0.901 635 R HN 0.398 nan 8.270 nan 0.000 0.456 636 E N 0.591 120.828 120.200 0.061 0.000 2.075 636 E HA -0.037 4.313 4.350 -0.000 0.000 0.190 636 E C 1.502 178.139 176.600 0.061 0.000 0.969 636 E CA 1.182 57.617 56.400 0.057 0.000 0.815 636 E CB 0.294 30.031 29.700 0.062 0.000 0.776 636 E HN -0.107 nan 8.360 nan 0.000 0.457 637 K N -0.862 119.573 120.400 0.058 0.000 2.214 637 K HA 0.333 4.653 4.320 -0.000 0.000 0.201 637 K C 0.391 177.022 176.600 0.052 0.000 1.049 637 K CA 0.938 57.258 56.287 0.055 0.000 0.978 637 K CB 0.989 33.519 32.500 0.051 0.000 0.842 637 K HN 0.177 nan 8.250 nan 0.000 0.474 638 G N 1.162 109.996 108.800 0.055 0.000 2.312 638 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.347 638 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.347 638 G C -2.528 172.405 174.900 0.055 0.000 1.564 638 G CA -0.564 44.568 45.100 0.052 0.000 0.981 638 G HN -0.233 nan 8.290 nan 0.000 0.678 639 P HA -0.222 nan 4.420 nan 0.000 0.215 639 P C 1.503 178.836 177.300 0.055 0.000 1.157 639 P CA 1.393 64.522 63.100 0.048 0.000 0.874 639 P CB 0.133 31.849 31.700 0.027 0.000 0.790 640 Q N 0.073 119.898 119.800 0.042 0.000 1.900 640 Q HA -0.143 4.197 4.340 -0.000 0.000 0.219 640 Q C 2.416 178.454 176.000 0.063 0.000 1.012 640 Q CA 1.805 57.634 55.803 0.043 0.000 0.876 640 Q CB -1.640 27.117 28.738 0.033 0.000 0.952 640 Q HN 0.109 nan 8.270 nan 0.000 0.419 641 V N 0.742 120.691 119.914 0.058 0.000 2.353 641 V HA -0.388 3.732 4.120 -0.000 0.000 0.260 641 V C 2.545 178.688 176.094 0.081 0.000 1.091 641 V CA 2.091 64.429 62.300 0.063 0.000 1.088 641 V CB -1.255 30.600 31.823 0.053 0.000 0.672 641 V HN 0.491 nan 8.190 nan 0.000 0.455 642 C N -0.037 119.319 119.300 0.093 0.000 2.491 642 C HA -0.062 4.397 4.460 -0.000 0.000 0.283 642 C C 3.173 178.317 174.990 0.256 0.000 1.238 642 C CA 1.082 60.174 59.018 0.123 0.000 1.735 642 C CB -1.328 26.490 27.740 0.130 0.000 2.080 642 C HN 0.647 nan 8.230 nan 0.000 0.463 643 A N 0.087 123.076 122.820 0.282 0.000 1.896 643 A HA -0.345 3.975 4.320 -0.000 0.000 0.220 643 A C 2.199 179.956 177.584 0.290 0.000 1.206 643 A CA 2.585 54.801 52.037 0.298 0.000 0.647 643 A CB -0.977 18.070 19.000 0.078 0.000 0.828 643 A HN 0.783 nan 8.150 nan 0.000 0.455 644 K N -1.011 119.492 120.400 0.171 0.000 2.281 644 K HA -0.146 4.173 4.320 -0.000 0.000 0.203 644 K C 1.782 178.473 176.600 0.153 0.000 1.046 644 K CA 1.345 57.712 56.287 0.134 0.000 0.938 644 K CB -0.250 32.305 32.500 0.091 0.000 0.737 644 K HN 0.433 nan 8.250 nan 0.000 0.458 645 L N 0.172 121.494 121.223 0.165 0.000 2.044 645 L HA -0.038 4.301 4.340 -0.000 0.000 0.205 645 L C 1.543 178.483 176.870 0.118 0.000 1.075 645 L CA 1.565 56.459 54.840 0.090 0.000 0.747 645 L CB -0.648 41.405 42.059 -0.010 0.000 0.903 645 L HN 0.058 nan 8.230 nan 0.000 0.435 646 F N 0.714 120.678 119.950 0.024 0.000 2.045 646 F HA -0.199 4.328 4.527 -0.000 0.000 0.297 646 F C 2.524 178.340 175.800 0.027 0.000 1.114 646 F CA 1.912 59.926 58.000 0.024 0.000 1.207 646 F CB -1.655 37.362 39.000 0.029 0.000 0.964 646 F HN 0.236 nan 8.300 nan 0.000 0.486 647 G N 0.390 109.356 108.800 0.276 0.000 2.875 647 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.220 647 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.220 647 G C 1.511 176.486 174.900 0.124 0.000 1.293 647 G CA 1.538 46.736 45.100 0.163 0.000 0.789 647 G HN 0.344 nan 8.290 nan 0.000 0.677 648 N N 1.124 119.891 118.700 0.113 0.000 2.096 648 N HA -0.230 4.509 4.740 -0.000 0.000 0.198 648 N C 2.195 177.738 175.510 0.054 0.000 1.017 648 N CA 1.913 55.016 53.050 0.089 0.000 0.889 648 N CB -0.980 37.555 38.487 0.081 0.000 1.081 648 N HN 0.513 nan 8.380 nan 0.000 0.549 649 I N 1.349 121.941 120.570 0.036 0.000 2.094 649 I HA -0.408 3.762 4.170 -0.000 0.000 0.236 649 I C 2.582 178.703 176.117 0.008 0.000 1.016 649 I CA 1.743 63.044 61.300 0.003 0.000 1.294 649 I CB -0.651 37.337 38.000 -0.020 0.000 1.006 649 I HN 0.274 nan 8.210 nan 0.000 0.397 650 Q N 0.697 120.522 119.800 0.042 0.000 2.012 650 Q HA -0.306 4.034 4.340 -0.000 0.000 0.211 650 Q C 2.262 178.245 176.000 -0.030 0.000 1.009 650 Q CA 2.346 58.169 55.803 0.034 0.000 0.866 650 Q CB -0.249 28.536 28.738 0.079 0.000 0.945 650 Q HN 0.511 nan 8.270 nan 0.000 0.414 651 K N -0.107 120.271 120.400 -0.037 0.000 1.987 651 K HA -0.183 4.137 4.320 -0.000 0.000 0.216 651 K C 2.198 178.640 176.600 -0.264 0.000 1.051 651 K CA 1.940 58.117 56.287 -0.183 0.000 0.942 651 K CB -0.549 31.956 32.500 0.008 0.000 0.722 651 K HN 0.047 nan 8.250 nan 0.000 0.444 652 V N 1.605 121.460 119.914 -0.099 0.000 2.215 652 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 652 V C 2.421 178.487 176.094 -0.046 0.000 1.054 652 V CA 2.111 64.377 62.300 -0.057 0.000 1.012 652 V CB -0.975 30.835 31.823 -0.021 0.000 0.639 652 V HN 0.113 nan 8.190 nan 0.000 0.448 653 V N 0.622 120.516 119.914 -0.034 0.000 2.217 653 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 653 V C 2.391 178.511 176.094 0.043 0.000 1.050 653 V CA 2.547 64.853 62.300 0.010 0.000 1.007 653 V CB -1.175 30.644 31.823 -0.007 0.000 0.639 653 V HN 0.572 nan 8.190 nan 0.000 0.452 654 N N -0.379 118.316 118.700 -0.008 0.000 2.122 654 N HA -0.268 4.472 4.740 -0.000 0.000 0.199 654 N C 1.706 177.212 175.510 -0.007 0.000 1.007 654 N CA 2.314 55.355 53.050 -0.015 0.000 0.892 654 N CB -0.567 37.881 38.487 -0.065 0.000 1.050 654 N HN 0.544 nan 8.380 nan 0.000 0.468 655 F N 0.457 120.225 119.950 -0.304 0.000 2.051 655 F HA -0.176 4.351 4.527 -0.000 0.000 0.296 655 F C 2.396 178.093 175.800 -0.171 0.000 1.122 655 F CA 1.325 59.103 58.000 -0.370 0.000 1.201 655 F CB -1.280 37.265 39.000 -0.759 0.000 0.978 655 F HN 0.163 nan 8.300 nan 0.000 0.472 656 W N 0.921 121.917 121.300 -0.507 0.000 2.321 656 W HA -0.259 4.400 4.660 -0.000 0.000 0.306 656 W C 2.249 178.623 176.519 -0.241 0.000 1.217 656 W CA 2.362 59.398 57.345 -0.516 0.000 1.257 656 W CB -0.706 28.545 29.460 -0.349 0.000 1.145 656 W HN 0.208 nan 8.180 nan 0.000 0.509 657 L N 0.856 122.046 121.223 -0.055 0.000 2.012 657 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 657 L C 2.424 179.182 176.870 -0.186 0.000 1.073 657 L CA 2.290 57.049 54.840 -0.135 0.000 0.748 657 L CB -1.637 40.454 42.059 0.054 0.000 0.891 657 L HN 0.198 nan 8.230 nan 0.000 0.431 658 L N -0.861 120.331 121.223 -0.051 0.000 2.089 658 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 658 L C 2.122 178.990 176.870 -0.003 0.000 1.079 658 L CA 2.082 56.952 54.840 0.050 0.000 0.758 658 L CB -0.666 41.537 42.059 0.240 0.000 0.891 658 L HN 0.478 nan 8.230 nan 0.000 0.433 659 H N -2.537 116.319 119.070 -0.358 0.000 2.582 659 H HA 0.139 4.695 4.556 -0.000 0.000 0.269 659 H C 1.920 176.950 175.328 -0.496 0.000 0.962 659 H CA 0.894 56.711 56.048 -0.386 0.000 1.230 659 H CB 0.015 29.516 29.762 -0.435 0.000 1.445 659 H HN 0.390 nan 8.280 nan 0.000 0.528 660 N N 0.400 118.699 118.700 -0.668 0.000 2.376 660 N HA 0.037 4.777 4.740 -0.000 0.000 0.177 660 N C 0.326 175.657 175.510 -0.299 0.000 1.024 660 N CA 0.855 53.502 53.050 -0.672 0.000 0.893 660 N CB 0.457 38.123 38.487 -1.369 0.000 0.980 660 N HN 0.404 nan 8.380 nan 0.000 0.439 661 G N -0.518 108.148 108.800 -0.224 0.000 2.757 661 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 661 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 661 G C -1.017 173.946 174.900 0.106 0.000 1.452 661 G CA -0.091 44.975 45.100 -0.057 0.000 0.922 661 G HN 0.324 nan 8.290 nan 0.000 0.588 662 F N 1.236 121.150 119.950 -0.060 0.000 2.615 662 F HA 0.789 5.315 4.527 -0.000 0.000 0.312 662 F C -0.029 175.762 175.800 -0.015 0.000 1.119 662 F CA -0.136 57.850 58.000 -0.024 0.000 0.979 662 F CB 1.974 40.974 39.000 -0.001 0.000 1.266 662 F HN 1.054 nan 8.300 nan 0.000 0.444 663 S N 1.853 117.062 115.700 -0.818 0.000 2.911 663 S HA 0.932 5.402 4.470 -0.000 0.000 0.319 663 S C -1.480 172.657 174.600 -0.772 0.000 1.154 663 S CA -0.321 57.487 58.200 -0.654 0.000 0.857 663 S CB 1.951 64.982 63.200 -0.281 0.000 1.279 663 S HN 0.778 nan 8.310 nan 0.000 0.593 664 T N 0.172 114.497 114.554 -0.382 0.000 3.225 664 T HA 0.656 5.006 4.350 -0.000 0.000 0.356 664 T C -0.716 173.904 174.700 -0.134 0.000 1.460 664 T CA -0.165 61.790 62.100 -0.242 0.000 1.126 664 T CB 1.279 70.022 68.868 -0.208 0.000 1.321 664 T HN 1.093 nan 8.240 nan 0.000 0.478 665 G N 0.874 109.624 108.800 -0.084 0.000 2.576 665 G HA2 0.496 4.456 3.960 -0.000 0.000 0.290 665 G HA3 0.496 4.456 3.960 -0.000 0.000 0.290 665 G C 0.625 175.507 174.900 -0.029 0.000 1.442 665 G CA -0.518 44.549 45.100 -0.055 0.000 0.792 665 G HN 0.751 nan 8.290 nan 0.000 0.491 666 I N -0.503 120.055 120.570 -0.021 0.000 2.290 666 I HA -0.099 4.071 4.170 -0.000 0.000 0.253 666 I C 2.422 178.540 176.117 0.001 0.000 1.112 666 I CA 2.137 63.434 61.300 -0.006 0.000 1.377 666 I CB -1.221 36.776 38.000 -0.005 0.000 1.060 666 I HN 0.596 nan 8.210 nan 0.000 0.428 667 G N 0.414 109.212 108.800 -0.003 0.000 2.479 667 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.220 667 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.220 667 G C 1.206 176.114 174.900 0.013 0.000 1.115 667 G CA 0.968 46.070 45.100 0.005 0.000 0.757 667 G HN 0.504 nan 8.290 nan 0.000 0.560 668 D N -0.094 120.312 120.400 0.010 0.000 2.349 668 D HA -0.015 4.625 4.640 -0.000 0.000 0.224 668 D C 2.335 178.655 176.300 0.032 0.000 1.029 668 D CA 1.297 55.310 54.000 0.023 0.000 0.879 668 D CB 0.213 41.024 40.800 0.018 0.000 0.906 668 D HN 0.523 nan 8.370 nan 0.000 0.528 669 T N -2.427 112.144 114.554 0.029 0.000 3.010 669 T HA 0.235 4.585 4.350 -0.000 0.000 0.257 669 T C 0.940 175.663 174.700 0.039 0.000 1.020 669 T CA -0.262 61.861 62.100 0.039 0.000 0.938 669 T CB 0.302 69.194 68.868 0.040 0.000 1.049 669 T HN -0.054 nan 8.240 nan 0.000 0.522 670 I N 2.442 123.031 120.570 0.032 0.000 2.315 670 I HA 0.666 4.836 4.170 -0.000 0.000 0.291 670 I C 0.328 176.465 176.117 0.033 0.000 1.006 670 I CA -1.168 60.151 61.300 0.031 0.000 1.265 670 I CB 1.265 39.280 38.000 0.025 0.000 1.387 670 I HN 0.166 nan 8.210 nan 0.000 0.475 671 A N 4.049 126.890 122.820 0.035 0.000 2.320 671 A HA 0.366 4.686 4.320 -0.000 0.000 0.334 671 A C -0.426 177.177 177.584 0.032 0.000 1.147 671 A CA -0.628 51.430 52.037 0.036 0.000 0.820 671 A CB 0.754 19.779 19.000 0.040 0.000 1.218 671 A HN 0.741 nan 8.150 nan 0.000 0.482 672 D N 1.257 121.676 120.400 0.031 0.000 2.982 672 D HA 0.098 4.738 4.640 -0.000 0.000 0.222 672 D C 1.713 178.029 176.300 0.027 0.000 1.124 672 D CA 1.735 55.751 54.000 0.028 0.000 0.810 672 D CB 0.370 41.186 40.800 0.028 0.000 1.152 672 D HN 0.681 nan 8.370 nan 0.000 0.538 673 G N 5.510 114.325 108.800 0.024 0.000 2.759 673 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.224 673 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.224 673 G C -0.557 174.357 174.900 0.025 0.000 1.173 673 G CA 1.052 46.166 45.100 0.023 0.000 0.770 673 G HN 0.588 nan 8.290 nan 0.000 0.626 674 P HA -0.065 nan 4.420 nan 0.000 0.215 674 P C 1.679 178.995 177.300 0.027 0.000 1.153 674 P CA 1.922 65.036 63.100 0.024 0.000 0.853 674 P CB -0.505 31.208 31.700 0.022 0.000 0.788 675 T N -0.545 114.026 114.554 0.029 0.000 2.996 675 T HA -0.058 4.292 4.350 -0.000 0.000 0.271 675 T C 1.786 176.507 174.700 0.035 0.000 1.126 675 T CA 0.918 63.038 62.100 0.033 0.000 1.103 675 T CB -0.376 68.513 68.868 0.035 0.000 0.870 675 T HN 0.010 nan 8.240 nan 0.000 0.528 676 M N 0.356 119.976 119.600 0.033 0.000 2.191 676 M HA 0.145 4.625 4.480 -0.000 0.000 0.262 676 M C 2.430 178.751 176.300 0.035 0.000 1.083 676 M CA 1.136 56.456 55.300 0.034 0.000 1.154 676 M CB -0.770 31.848 32.600 0.031 0.000 1.344 676 M HN 0.126 nan 8.290 nan 0.000 0.431 677 R N 0.670 121.189 120.500 0.031 0.000 2.080 677 R HA -0.217 4.123 4.340 -0.000 0.000 0.236 677 R C 1.967 178.287 176.300 0.033 0.000 1.137 677 R CA 2.166 58.285 56.100 0.031 0.000 0.943 677 R CB -0.380 29.936 30.300 0.027 0.000 0.846 677 R HN 0.400 nan 8.270 nan 0.000 0.431 678 E N 0.127 120.346 120.200 0.031 0.000 2.233 678 E HA -0.227 4.123 4.350 -0.000 0.000 0.199 678 E C 1.777 178.400 176.600 0.038 0.000 1.004 678 E CA 1.579 57.998 56.400 0.032 0.000 0.819 678 E CB -0.074 29.645 29.700 0.031 0.000 0.738 678 E HN 0.490 nan 8.360 nan 0.000 0.478 679 I N -0.194 120.401 120.570 0.042 0.000 2.385 679 I HA -0.176 3.994 4.170 -0.000 0.000 0.244 679 I C 2.238 178.387 176.117 0.054 0.000 1.089 679 I CA 1.093 62.422 61.300 0.050 0.000 1.410 679 I CB -0.422 37.609 38.000 0.050 0.000 1.117 679 I HN 0.165 nan 8.210 nan 0.000 0.429 680 T N 1.332 115.916 114.554 0.050 0.000 2.592 680 T HA -0.295 4.055 4.350 -0.000 0.000 0.267 680 T C 1.621 176.351 174.700 0.050 0.000 1.060 680 T CA 2.254 64.386 62.100 0.053 0.000 1.167 680 T CB -0.715 68.180 68.868 0.045 0.000 0.863 680 T HN 0.583 nan 8.240 nan 0.000 0.431 681 E N 0.854 121.078 120.200 0.039 0.000 2.153 681 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 681 E C 1.965 178.583 176.600 0.030 0.000 0.988 681 E CA 1.427 57.845 56.400 0.031 0.000 0.811 681 E CB -0.788 28.927 29.700 0.024 0.000 0.746 681 E HN 0.350 nan 8.360 nan 0.000 0.466 682 T N 1.053 115.630 114.554 0.038 0.000 3.007 682 T HA -0.003 4.347 4.350 -0.000 0.000 0.270 682 T C 1.723 176.452 174.700 0.047 0.000 1.107 682 T CA 0.894 63.018 62.100 0.040 0.000 1.118 682 T CB -0.112 68.786 68.868 0.049 0.000 0.889 682 T HN 0.225 nan 8.240 nan 0.000 0.506 683 I N 0.748 121.354 120.570 0.059 0.000 2.385 683 I HA 0.053 4.223 4.170 -0.000 0.000 0.244 683 I C 2.922 179.054 176.117 0.024 0.000 1.089 683 I CA 0.630 61.975 61.300 0.074 0.000 1.410 683 I CB -0.559 37.520 38.000 0.131 0.000 1.117 683 I HN 0.118 nan 8.210 nan 0.000 0.429 684 A N 1.867 124.703 122.820 0.027 0.000 1.873 684 A HA -0.307 4.013 4.320 -0.000 0.000 0.218 684 A C 2.221 179.793 177.584 -0.020 0.000 1.193 684 A CA 2.484 54.525 52.037 0.006 0.000 0.629 684 A CB -1.034 17.976 19.000 0.016 0.000 0.826 684 A HN 0.654 nan 8.150 nan 0.000 0.447 685 E N 0.053 120.244 120.200 -0.015 0.000 2.130 685 E HA -0.096 4.254 4.350 -0.000 0.000 0.196 685 E C 1.725 178.286 176.600 -0.066 0.000 0.998 685 E CA 1.521 57.901 56.400 -0.033 0.000 0.806 685 E CB -0.462 29.227 29.700 -0.020 0.000 0.738 685 E HN 0.495 nan 8.360 nan 0.000 0.459 686 A N 0.541 123.326 122.820 -0.057 0.000 2.206 686 A HA -0.015 4.305 4.320 -0.000 0.000 0.211 686 A C 1.868 179.374 177.584 -0.131 0.000 1.158 686 A CA 0.814 52.798 52.037 -0.088 0.000 0.761 686 A CB -0.177 18.800 19.000 -0.039 0.000 0.801 686 A HN 0.175 nan 8.150 nan 0.000 0.473 687 K N -0.204 120.129 120.400 -0.111 0.000 2.128 687 K HA 0.017 4.336 4.320 -0.000 0.000 0.202 687 K C 1.809 178.354 176.600 -0.092 0.000 1.050 687 K CA 0.991 57.210 56.287 -0.113 0.000 0.966 687 K CB -0.053 32.401 32.500 -0.078 0.000 0.759 687 K HN 0.351 nan 8.250 nan 0.000 0.454 688 K N 1.276 121.625 120.400 -0.085 0.000 2.025 688 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 688 K C 1.975 178.496 176.600 -0.132 0.000 1.049 688 K CA 1.088 57.327 56.287 -0.080 0.000 0.933 688 K CB -0.035 32.426 32.500 -0.065 0.000 0.714 688 K HN -0.023 nan 8.250 nan 0.000 0.438 689 K N 1.017 121.292 120.400 -0.208 0.000 2.520 689 K HA -0.140 4.180 4.320 -0.000 0.000 0.197 689 K C 1.503 177.827 176.600 -0.461 0.000 1.044 689 K CA 0.682 56.733 56.287 -0.393 0.000 0.938 689 K CB 0.194 32.373 32.500 -0.535 0.000 0.767 689 K HN -0.030 nan 8.250 nan 0.000 0.481 690 V N 0.068 119.854 119.914 -0.213 0.000 2.599 690 V HA -0.134 3.986 4.120 -0.000 0.000 0.237 690 V C 1.815 177.938 176.094 0.048 0.000 1.081 690 V CA 0.629 62.910 62.300 -0.032 0.000 1.107 690 V CB -0.154 31.665 31.823 -0.008 0.000 0.808 690 V HN 0.264 nan 8.190 nan 0.000 0.486 691 L N 0.951 122.178 121.223 0.007 0.000 2.021 691 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 691 L C 1.953 178.831 176.870 0.013 0.000 1.074 691 L CA 2.381 57.236 54.840 0.025 0.000 0.760 691 L CB -0.974 41.084 42.059 -0.002 0.000 0.889 691 L HN 0.367 nan 8.230 nan 0.000 0.433 692 D N -0.800 119.586 120.400 -0.023 0.000 2.103 692 D HA -0.186 4.454 4.640 -0.000 0.000 0.190 692 D C 2.156 178.450 176.300 -0.009 0.000 0.997 692 D CA 1.883 55.864 54.000 -0.031 0.000 0.833 692 D CB -0.406 40.356 40.800 -0.063 0.000 0.961 692 D HN 0.279 nan 8.370 nan 0.000 0.447 693 V N 0.528 120.463 119.914 0.035 0.000 3.241 693 V HA -0.143 3.977 4.120 -0.000 0.000 0.269 693 V C 2.113 178.211 176.094 0.007 0.000 1.151 693 V CA 1.411 63.769 62.300 0.095 0.000 1.158 693 V CB -0.614 31.390 31.823 0.301 0.000 0.764 693 V HN 0.226 nan 8.190 nan 0.000 0.508 694 T N -0.299 114.277 114.554 0.037 0.000 2.735 694 T HA -0.087 4.263 4.350 -0.000 0.000 0.256 694 T C 1.975 176.578 174.700 -0.162 0.000 1.042 694 T CA 1.073 63.150 62.100 -0.037 0.000 1.147 694 T CB -0.077 68.861 68.868 0.117 0.000 0.865 694 T HN 0.421 nan 8.240 nan 0.000 0.421 695 K N 1.053 121.404 120.400 -0.082 0.000 2.097 695 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 695 K C 2.193 178.726 176.600 -0.112 0.000 1.050 695 K CA 0.878 57.113 56.287 -0.087 0.000 0.938 695 K CB -0.135 32.337 32.500 -0.047 0.000 0.718 695 K HN 0.393 nan 8.250 nan 0.000 0.442 696 E N 0.276 120.417 120.200 -0.099 0.000 2.501 696 E HA -0.154 4.195 4.350 -0.000 0.000 0.203 696 E C 0.808 177.322 176.600 -0.144 0.000 1.072 696 E CA 0.513 56.859 56.400 -0.091 0.000 0.885 696 E CB 0.138 29.807 29.700 -0.053 0.000 0.813 696 E HN 0.321 nan 8.360 nan 0.000 0.556 697 A N -0.450 122.228 122.820 -0.236 0.000 2.498 697 A HA 0.146 4.466 4.320 -0.000 0.000 0.238 697 A C 1.466 178.884 177.584 -0.277 0.000 1.225 697 A CA -0.323 51.522 52.037 -0.320 0.000 0.978 697 A CB 0.445 19.059 19.000 -0.643 0.000 1.142 697 A HN 0.173 nan 8.150 nan 0.000 0.552 698 Q N -0.664 119.005 119.800 -0.219 0.000 2.356 698 Q HA 0.289 4.628 4.340 -0.000 0.000 0.205 698 Q C 1.183 177.119 176.000 -0.107 0.000 0.901 698 Q CA 0.620 56.328 55.803 -0.159 0.000 0.938 698 Q CB 0.381 29.043 28.738 -0.125 0.000 1.081 698 Q HN 0.546 nan 8.270 nan 0.000 0.517 699 A N 0.890 123.649 122.820 -0.101 0.000 2.535 699 A HA 0.148 4.468 4.320 -0.000 0.000 0.273 699 A C 0.230 177.773 177.584 -0.068 0.000 1.267 699 A CA -0.349 51.646 52.037 -0.071 0.000 0.940 699 A CB -0.057 18.909 19.000 -0.058 0.000 1.101 699 A HN 0.352 nan 8.150 nan 0.000 0.521 700 N N -0.210 118.440 118.700 -0.084 0.000 2.714 700 N HA -0.153 4.587 4.740 -0.000 0.000 0.252 700 N C -0.034 175.440 175.510 -0.059 0.000 1.014 700 N CA 0.907 53.913 53.050 -0.073 0.000 0.735 700 N CB -1.419 37.035 38.487 -0.055 0.000 0.924 700 N HN 0.533 nan 8.380 nan 0.000 0.540 701 L N -0.817 120.367 121.223 -0.065 0.000 3.110 701 L HA 0.306 4.646 4.340 -0.000 0.000 0.266 701 L C 0.086 176.930 176.870 -0.042 0.000 1.257 701 L CA -0.226 54.586 54.840 -0.046 0.000 1.038 701 L CB 0.179 42.214 42.059 -0.040 0.000 1.395 701 L HN 0.159 nan 8.230 nan 0.000 0.566 702 L N 1.035 122.226 121.223 -0.053 0.000 2.280 702 L HA 0.348 4.688 4.340 -0.000 0.000 0.287 702 L C 0.151 177.006 176.870 -0.024 0.000 1.023 702 L CA -0.278 54.540 54.840 -0.038 0.000 0.819 702 L CB 2.044 44.066 42.059 -0.062 0.000 1.212 702 L HN 0.120 nan 8.230 nan 0.000 0.420 703 T N 2.935 117.481 114.554 -0.013 0.000 2.792 703 T HA -0.008 4.341 4.350 -0.000 0.000 0.286 703 T C 1.430 176.116 174.700 -0.023 0.000 0.970 703 T CA 0.288 62.375 62.100 -0.022 0.000 1.187 703 T CB 1.277 70.133 68.868 -0.020 0.000 0.915 703 T HN 0.779 nan 8.240 nan 0.000 0.529 704 A N 4.377 127.178 122.820 -0.032 0.000 1.896 704 A HA -0.142 4.177 4.320 -0.000 0.000 0.220 704 A C 1.044 178.609 177.584 -0.031 0.000 1.206 704 A CA 1.243 53.266 52.037 -0.025 0.000 0.647 704 A CB -0.361 18.620 19.000 -0.030 0.000 0.828 704 A HN 0.811 nan 8.150 nan 0.000 0.455 705 K N -3.148 117.196 120.400 -0.092 0.000 6.766 705 K HA -0.123 4.197 4.320 -0.000 0.000 0.584 705 K C 0.261 176.787 176.600 -0.124 0.000 2.569 705 K CA 0.822 57.019 56.287 -0.149 0.000 2.020 705 K CB -1.240 31.252 32.500 -0.014 0.000 2.476 705 K HN 0.732 nan 8.250 nan 0.000 0.221 706 H N 0.534 119.628 119.070 0.040 0.000 2.492 706 H HA -0.126 4.430 4.556 -0.000 0.000 0.296 706 H C 1.872 177.222 175.328 0.036 0.000 1.095 706 H CA 1.661 57.733 56.048 0.040 0.000 1.281 706 H CB -0.056 29.734 29.762 0.047 0.000 1.374 706 H HN 0.761 nan 8.280 nan 0.000 0.545 707 G N 0.914 109.805 108.800 0.152 0.000 2.601 707 G HA2 -0.078 3.881 3.960 -0.000 0.000 0.214 707 G HA3 -0.078 3.881 3.960 -0.000 0.000 0.214 707 G C 0.400 175.344 174.900 0.075 0.000 1.132 707 G CA 0.457 45.621 45.100 0.107 0.000 0.761 707 G HN 0.396 nan 8.290 nan 0.000 0.550 708 M N -1.574 118.062 119.600 0.060 0.000 7.127 708 M HA -0.194 4.286 4.480 -0.000 0.000 0.157 708 M C 0.419 176.742 176.300 0.038 0.000 0.623 708 M CA 0.644 55.969 55.300 0.042 0.000 1.296 708 M CB -2.008 30.617 32.600 0.041 0.000 0.547 708 M HN 0.192 nan 8.290 nan 0.000 0.190 709 T N 0.949 115.520 114.554 0.028 0.000 0.543 709 T HA -0.137 4.213 4.350 -0.000 0.000 0.774 709 T C 0.785 175.508 174.700 0.038 0.000 0.992 709 T CA 0.430 62.548 62.100 0.031 0.000 4.076 709 T CB -0.271 68.620 68.868 0.037 0.000 2.302 709 T HN 0.564 nan 8.240 nan 0.000 0.398 710 L N 3.310 124.550 121.223 0.029 0.000 1.994 710 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 710 L C 2.725 179.640 176.870 0.076 0.000 1.071 710 L CA 1.935 56.794 54.840 0.030 0.000 0.745 710 L CB -0.511 41.546 42.059 -0.003 0.000 0.892 710 L HN 0.574 nan 8.230 nan 0.000 0.431 711 R N -0.230 120.316 120.500 0.078 0.000 2.097 711 R HA -0.194 4.146 4.340 -0.000 0.000 0.236 711 R C 2.307 178.706 176.300 0.165 0.000 1.135 711 R CA 1.786 57.973 56.100 0.145 0.000 0.934 711 R CB -0.415 29.949 30.300 0.107 0.000 0.846 711 R HN 0.427 nan 8.270 nan 0.000 0.431 712 E N -0.115 120.145 120.200 0.100 0.000 2.130 712 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 712 E C 1.893 178.545 176.600 0.087 0.000 0.998 712 E CA 1.668 58.113 56.400 0.076 0.000 0.806 712 E CB -0.037 29.697 29.700 0.058 0.000 0.738 712 E HN 0.280 nan 8.360 nan 0.000 0.459 713 S N 0.340 116.102 115.700 0.103 0.000 2.481 713 S HA -0.080 4.389 4.470 -0.000 0.000 0.231 713 S C 1.354 176.060 174.600 0.177 0.000 0.996 713 S CA 0.275 58.538 58.200 0.106 0.000 0.942 713 S CB -0.142 63.107 63.200 0.080 0.000 0.768 713 S HN 0.271 nan 8.310 nan 0.000 0.520 714 F N 3.282 123.243 119.950 0.019 0.000 2.074 714 F HA 0.005 4.532 4.527 -0.000 0.000 0.293 714 F C 2.106 177.930 175.800 0.041 0.000 1.116 714 F CA 1.161 59.180 58.000 0.031 0.000 1.212 714 F CB -0.924 38.090 39.000 0.022 0.000 0.998 714 F HN 0.029 nan 8.300 nan 0.000 0.471 715 E N 0.431 120.545 120.200 -0.143 0.000 2.026 715 E HA -0.322 4.028 4.350 -0.000 0.000 0.206 715 E C 2.035 178.538 176.600 -0.162 0.000 1.028 715 E CA 1.718 57.943 56.400 -0.292 0.000 0.845 715 E CB -1.284 28.324 29.700 -0.152 0.000 0.772 715 E HN 0.487 nan 8.360 nan 0.000 0.462 716 D N 0.507 120.865 120.400 -0.070 0.000 2.347 716 D HA -0.202 4.438 4.640 -0.000 0.000 0.208 716 D C 1.369 177.587 176.300 -0.137 0.000 0.994 716 D CA 0.844 54.803 54.000 -0.069 0.000 0.924 716 D CB -0.031 40.760 40.800 -0.015 0.000 0.892 716 D HN 0.138 nan 8.370 nan 0.000 0.471 717 N N -0.659 117.966 118.700 -0.125 0.000 2.349 717 N HA -0.070 4.669 4.740 -0.000 0.000 0.180 717 N C 2.101 177.428 175.510 -0.305 0.000 1.024 717 N CA 0.648 53.535 53.050 -0.271 0.000 0.869 717 N CB 0.226 38.737 38.487 0.039 0.000 1.022 717 N HN 0.101 nan 8.380 nan 0.000 0.433 718 V N 1.471 121.358 119.914 -0.045 0.000 2.237 718 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 718 V C 2.581 178.671 176.094 -0.006 0.000 1.046 718 V CA 1.353 63.687 62.300 0.056 0.000 1.007 718 V CB -1.002 30.696 31.823 -0.208 0.000 0.638 718 V HN -0.038 nan 8.190 nan 0.000 0.445 719 V N 0.064 119.920 119.914 -0.098 0.000 2.217 719 V HA -0.377 3.742 4.120 -0.000 0.000 0.248 719 V C 2.620 178.682 176.094 -0.054 0.000 1.050 719 V CA 2.742 65.004 62.300 -0.062 0.000 1.007 719 V CB -0.845 30.934 31.823 -0.074 0.000 0.639 719 V HN 0.459 nan 8.190 nan 0.000 0.452 720 R N -1.292 119.125 120.500 -0.138 0.000 2.267 720 R HA -0.235 4.105 4.340 -0.000 0.000 0.259 720 R C 2.121 178.332 176.300 -0.149 0.000 1.192 720 R CA 2.047 58.038 56.100 -0.182 0.000 1.013 720 R CB -0.336 29.776 30.300 -0.313 0.000 0.877 720 R HN 0.607 nan 8.270 nan 0.000 0.474 721 F N -0.924 119.018 119.950 -0.013 0.000 2.317 721 F HA -0.053 4.473 4.527 -0.000 0.000 0.293 721 F C 1.948 177.730 175.800 -0.031 0.000 1.085 721 F CA 0.207 58.196 58.000 -0.017 0.000 1.390 721 F CB 0.087 39.070 39.000 -0.027 0.000 1.077 721 F HN -0.049 nan 8.300 nan 0.000 0.517 722 L N -0.339 120.961 121.223 0.128 0.000 2.068 722 L HA -0.148 4.192 4.340 -0.000 0.000 0.204 722 L C 2.093 179.056 176.870 0.155 0.000 1.076 722 L CA 0.796 55.663 54.840 0.045 0.000 0.753 722 L CB -0.809 41.192 42.059 -0.097 0.000 0.910 722 L HN 0.033 nan 8.230 nan 0.000 0.439 723 N N 0.333 119.109 118.700 0.126 0.000 2.018 723 N HA -0.265 4.475 4.740 -0.000 0.000 0.196 723 N C 1.805 177.380 175.510 0.108 0.000 1.043 723 N CA 1.534 54.650 53.050 0.110 0.000 0.856 723 N CB -0.333 38.188 38.487 0.057 0.000 1.042 723 N HN 0.348 nan 8.380 nan 0.000 0.423 724 E N 0.297 120.555 120.200 0.096 0.000 2.208 724 E HA -0.233 4.117 4.350 -0.000 0.000 0.202 724 E C 1.673 178.341 176.600 0.114 0.000 1.014 724 E CA 1.406 57.867 56.400 0.102 0.000 0.819 724 E CB -0.031 29.742 29.700 0.123 0.000 0.735 724 E HN 0.422 nan 8.360 nan 0.000 0.469 725 A N 0.761 123.657 122.820 0.127 0.000 1.898 725 A HA -0.134 4.186 4.320 -0.000 0.000 0.214 725 A C 2.056 179.721 177.584 0.135 0.000 1.183 725 A CA 1.241 53.352 52.037 0.124 0.000 0.622 725 A CB -0.392 18.680 19.000 0.120 0.000 0.824 725 A HN 0.172 nan 8.150 nan 0.000 0.444 726 R N 0.130 120.723 120.500 0.155 0.000 2.109 726 R HA -0.207 4.133 4.340 -0.000 0.000 0.227 726 R C 1.668 178.028 176.300 0.100 0.000 1.132 726 R CA 2.261 58.431 56.100 0.116 0.000 0.907 726 R CB -0.775 29.574 30.300 0.083 0.000 0.825 726 R HN 0.402 nan 8.270 nan 0.000 0.432 727 D N 0.168 120.631 120.400 0.106 0.000 2.248 727 D HA -0.290 4.350 4.640 -0.000 0.000 0.189 727 D C 1.839 178.240 176.300 0.168 0.000 1.011 727 D CA 2.545 56.639 54.000 0.156 0.000 0.868 727 D CB -0.165 40.728 40.800 0.154 0.000 0.931 727 D HN 0.475 nan 8.370 nan 0.000 0.449 728 K N 0.296 120.770 120.400 0.124 0.000 2.155 728 K HA 0.097 4.417 4.320 -0.000 0.000 0.203 728 K C 2.016 178.672 176.600 0.094 0.000 1.052 728 K CA 1.140 57.488 56.287 0.101 0.000 0.948 728 K CB -0.038 32.512 32.500 0.084 0.000 0.728 728 K HN 0.110 nan 8.250 nan 0.000 0.448 729 A N 1.292 124.169 122.820 0.096 0.000 1.972 729 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 729 A C 2.383 180.017 177.584 0.083 0.000 1.169 729 A CA 1.674 53.761 52.037 0.084 0.000 0.635 729 A CB -1.113 17.939 19.000 0.088 0.000 0.810 729 A HN 0.568 nan 8.150 nan 0.000 0.446 730 G N -0.669 108.192 108.800 0.102 0.000 2.396 730 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 730 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 730 G C 1.572 176.556 174.900 0.140 0.000 1.166 730 G CA 0.524 45.696 45.100 0.121 0.000 0.793 730 G HN 0.544 nan 8.290 nan 0.000 0.533 731 R N -0.018 120.569 120.500 0.145 0.000 2.332 731 R HA -0.046 4.294 4.340 -0.000 0.000 0.239 731 R C 2.186 178.524 176.300 0.064 0.000 1.160 731 R CA 0.611 56.766 56.100 0.092 0.000 1.020 731 R CB -0.361 29.971 30.300 0.054 0.000 0.859 731 R HN 0.386 nan 8.270 nan 0.000 0.478 732 L N -0.899 120.366 121.223 0.070 0.000 2.130 732 L HA 0.031 4.371 4.340 -0.000 0.000 0.200 732 L C 2.654 179.558 176.870 0.057 0.000 1.075 732 L CA 0.879 55.752 54.840 0.055 0.000 0.768 732 L CB -0.638 41.453 42.059 0.053 0.000 0.933 732 L HN 0.141 nan 8.230 nan 0.000 0.451 733 A N 0.922 123.782 122.820 0.067 0.000 1.877 733 A HA -0.268 4.051 4.320 -0.000 0.000 0.216 733 A C 2.149 179.776 177.584 0.072 0.000 1.186 733 A CA 1.951 54.027 52.037 0.065 0.000 0.620 733 A CB -0.655 18.385 19.000 0.068 0.000 0.822 733 A HN 0.525 nan 8.150 nan 0.000 0.443 734 E N 0.041 120.298 120.200 0.094 0.000 2.147 734 E HA -0.182 4.168 4.350 -0.000 0.000 0.199 734 E C 1.338 177.974 176.600 0.061 0.000 1.005 734 E CA 2.163 58.622 56.400 0.099 0.000 0.810 734 E CB -0.421 29.359 29.700 0.133 0.000 0.736 734 E HN 0.289 nan 8.360 nan 0.000 0.460 735 V N 1.153 121.094 119.914 0.046 0.000 3.506 735 V HA -0.006 4.114 4.120 -0.000 0.000 0.263 735 V C 2.036 178.150 176.094 0.034 0.000 1.203 735 V CA 1.192 63.511 62.300 0.031 0.000 1.133 735 V CB -0.485 31.351 31.823 0.021 0.000 0.802 735 V HN 0.433 nan 8.190 nan 0.000 0.459 736 N N 0.555 119.279 118.700 0.040 0.000 2.353 736 N HA 0.067 4.807 4.740 -0.000 0.000 0.185 736 N C 0.536 176.070 175.510 0.040 0.000 1.098 736 N CA 0.097 53.169 53.050 0.037 0.000 0.872 736 N CB 0.271 38.781 38.487 0.038 0.000 0.970 736 N HN 0.390 nan 8.380 nan 0.000 0.467 737 L N 3.448 124.699 121.223 0.046 0.000 2.312 737 L HA 0.167 4.507 4.340 -0.000 0.000 0.287 737 L C 0.417 177.315 176.870 0.047 0.000 1.091 737 L CA -0.409 54.461 54.840 0.049 0.000 0.846 737 L CB 0.485 42.579 42.059 0.059 0.000 1.219 737 L HN -0.029 nan 8.230 nan 0.000 0.439 738 K N 1.596 122.021 120.400 0.043 0.000 2.544 738 K HA -0.147 4.173 4.320 -0.000 0.000 0.274 738 K C 0.024 176.652 176.600 0.046 0.000 0.962 738 K CA 0.072 56.383 56.287 0.041 0.000 0.946 738 K CB 0.491 33.015 32.500 0.039 0.000 0.905 738 K HN 0.401 nan 8.250 nan 0.000 0.521 739 D N 0.572 120.997 120.400 0.042 0.000 2.348 739 D HA 0.014 4.654 4.640 -0.000 0.000 0.248 739 D C 0.546 176.879 176.300 0.054 0.000 1.142 739 D CA 0.402 54.428 54.000 0.043 0.000 0.904 739 D CB -0.227 40.593 40.800 0.033 0.000 0.901 739 D HN 0.420 nan 8.370 nan 0.000 0.523 740 L N -3.065 118.195 121.223 0.061 0.000 3.069 740 L HA 0.393 4.733 4.340 -0.000 0.000 0.271 740 L C 0.059 176.981 176.870 0.087 0.000 1.201 740 L CA -0.675 54.210 54.840 0.075 0.000 1.015 740 L CB -0.179 41.918 42.059 0.063 0.000 1.371 740 L HN -0.262 nan 8.230 nan 0.000 0.574 741 N N 0.998 119.748 118.700 0.084 0.000 2.415 741 N HA 0.169 4.909 4.740 -0.000 0.000 0.246 741 N C 0.853 176.438 175.510 0.125 0.000 1.078 741 N CA -0.243 52.858 53.050 0.086 0.000 0.942 741 N CB 0.470 39.000 38.487 0.071 0.000 1.140 741 N HN 0.169 nan 8.380 nan 0.000 0.501 742 N N 2.593 121.383 118.700 0.150 0.000 2.064 742 N HA -0.258 4.482 4.740 -0.000 0.000 0.200 742 N C 1.389 177.045 175.510 0.243 0.000 1.028 742 N CA 1.717 54.921 53.050 0.257 0.000 0.880 742 N CB -0.578 37.931 38.487 0.038 0.000 1.062 742 N HN 0.332 nan 8.380 nan 0.000 0.454 743 V N 1.720 121.714 119.914 0.133 0.000 2.250 743 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 743 V C 2.573 178.743 176.094 0.127 0.000 1.060 743 V CA 2.150 64.521 62.300 0.119 0.000 1.030 743 V CB -0.684 31.187 31.823 0.079 0.000 0.643 743 V HN 0.420 nan 8.190 nan 0.000 0.445 744 K N -0.444 120.023 120.400 0.113 0.000 2.103 744 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 744 K C 2.285 178.941 176.600 0.094 0.000 1.048 744 K CA 1.871 58.217 56.287 0.098 0.000 0.930 744 K CB -0.175 32.375 32.500 0.083 0.000 0.716 744 K HN 0.559 nan 8.250 nan 0.000 0.444 745 Q N -0.146 119.724 119.800 0.116 0.000 2.084 745 Q HA -0.124 4.216 4.340 -0.000 0.000 0.202 745 Q C 2.135 178.164 176.000 0.048 0.000 0.978 745 Q CA 1.895 57.743 55.803 0.076 0.000 0.844 745 Q CB -0.030 28.765 28.738 0.095 0.000 0.898 745 Q HN 0.412 nan 8.270 nan 0.000 0.426 746 M N -0.419 119.259 119.600 0.131 0.000 2.229 746 M HA -0.140 4.339 4.480 -0.000 0.000 0.264 746 M C 2.074 178.416 176.300 0.071 0.000 1.063 746 M CA 0.940 56.306 55.300 0.109 0.000 1.114 746 M CB 0.001 32.722 32.600 0.200 0.000 1.387 746 M HN 0.094 nan 8.290 nan 0.000 0.420 747 V N 0.215 120.177 119.914 0.080 0.000 2.283 747 V HA -0.232 3.888 4.120 -0.000 0.000 0.243 747 V C 2.363 178.488 176.094 0.051 0.000 1.039 747 V CA 1.531 63.875 62.300 0.073 0.000 1.016 747 V CB -0.623 31.256 31.823 0.093 0.000 0.650 747 V HN 0.456 nan 8.190 nan 0.000 0.449 748 M N 0.535 120.159 119.600 0.041 0.000 2.082 748 M HA -0.220 4.260 4.480 -0.000 0.000 0.258 748 M C 2.415 178.716 176.300 0.002 0.000 1.071 748 M CA 2.475 57.787 55.300 0.019 0.000 1.103 748 M CB -0.738 31.869 32.600 0.011 0.000 1.307 748 M HN 0.405 nan 8.290 nan 0.000 0.409 749 A N -0.310 122.502 122.820 -0.014 0.000 2.076 749 A HA 0.065 4.384 4.320 -0.000 0.000 0.220 749 A C 1.832 179.410 177.584 -0.010 0.000 1.160 749 A CA 1.523 53.541 52.037 -0.031 0.000 0.653 749 A CB -1.198 17.765 19.000 -0.062 0.000 0.801 749 A HN 0.802 nan 8.150 nan 0.000 0.455 750 G N -1.096 107.710 108.800 0.010 0.000 2.148 750 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.254 750 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.254 750 G C 1.237 176.152 174.900 0.025 0.000 0.981 750 G CA 1.357 46.471 45.100 0.023 0.000 0.670 750 G HN 1.486 nan 8.290 nan 0.000 0.528 751 S N -1.130 114.583 115.700 0.022 0.000 2.370 751 S HA 0.155 4.625 4.470 -0.000 0.000 0.226 751 S C 0.983 175.611 174.600 0.047 0.000 1.033 751 S CA 1.748 59.967 58.200 0.032 0.000 1.011 751 S CB 0.300 63.518 63.200 0.030 0.000 0.852 751 S HN 0.499 nan 8.310 nan 0.000 0.457 752 K N 0.398 120.832 120.400 0.057 0.000 2.569 752 K HA 0.530 4.850 4.320 -0.000 0.000 0.259 752 K C -0.396 176.241 176.600 0.062 0.000 0.932 752 K CA 0.371 56.693 56.287 0.057 0.000 0.833 752 K CB 1.595 34.134 32.500 0.065 0.000 1.340 752 K HN 0.619 nan 8.250 nan 0.000 0.429 753 G N 1.235 110.065 108.800 0.050 0.000 2.697 753 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.686 753 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.686 753 G C -0.965 173.972 174.900 0.061 0.000 1.179 753 G CA -0.445 44.685 45.100 0.051 0.000 0.765 753 G HN 0.655 nan 8.290 nan 0.000 0.649 754 S N 0.221 115.951 115.700 0.050 0.000 2.599 754 S HA 0.724 5.194 4.470 -0.000 0.000 0.294 754 S C 0.933 175.579 174.600 0.077 0.000 1.094 754 S CA -0.156 58.092 58.200 0.079 0.000 0.931 754 S CB 1.796 65.008 63.200 0.020 0.000 1.093 754 S HN 1.883 nan 8.310 nan 0.000 0.488 755 F N 0.428 120.394 119.950 0.026 0.000 2.269 755 F HA 0.022 4.549 4.527 -0.000 0.000 0.301 755 F C 1.534 177.352 175.800 0.030 0.000 1.082 755 F CA 0.745 58.762 58.000 0.029 0.000 1.360 755 F CB -0.897 38.117 39.000 0.024 0.000 1.041 755 F HN 0.475 nan 8.300 nan 0.000 0.512 756 I N 1.594 121.538 120.570 -1.043 0.000 2.118 756 I HA -0.384 3.786 4.170 -0.000 0.000 0.241 756 I C 2.100 178.044 176.117 -0.289 0.000 1.070 756 I CA 1.766 62.601 61.300 -0.776 0.000 1.327 756 I CB -0.958 36.716 38.000 -0.544 0.000 1.034 756 I HN 0.249 nan 8.210 nan 0.000 0.405 757 N N 1.060 119.664 118.700 -0.160 0.000 2.334 757 N HA -0.149 4.590 4.740 -0.000 0.000 0.187 757 N C 1.798 177.313 175.510 0.009 0.000 1.016 757 N CA 1.382 54.413 53.050 -0.032 0.000 0.879 757 N CB -0.202 38.283 38.487 -0.004 0.000 0.965 757 N HN 0.495 nan 8.380 nan 0.000 0.438 758 I N 0.554 121.124 120.570 -0.000 0.000 2.277 758 I HA -0.110 4.059 4.170 -0.000 0.000 0.243 758 I C 2.410 178.550 176.117 0.039 0.000 1.094 758 I CA 0.527 61.857 61.300 0.050 0.000 1.393 758 I CB -0.532 37.526 38.000 0.097 0.000 1.078 758 I HN -0.009 nan 8.210 nan 0.000 0.417 759 A N 1.087 123.910 122.820 0.004 0.000 1.837 759 A HA -0.296 4.024 4.320 -0.000 0.000 0.216 759 A C 2.186 179.756 177.584 -0.024 0.000 1.210 759 A CA 1.844 53.879 52.037 -0.003 0.000 0.632 759 A CB -1.146 17.828 19.000 -0.044 0.000 0.843 759 A HN 0.470 nan 8.150 nan 0.000 0.448 760 Q N -1.261 118.502 119.800 -0.062 0.000 2.468 760 Q HA -0.204 4.136 4.340 -0.000 0.000 0.216 760 Q C 1.933 177.958 176.000 0.041 0.000 0.991 760 Q CA 1.521 57.264 55.803 -0.099 0.000 0.900 760 Q CB -0.322 28.380 28.738 -0.060 0.000 0.930 760 Q HN 0.732 nan 8.270 nan 0.000 0.473 761 M N -1.717 117.953 119.600 0.116 0.000 2.718 761 M HA -0.017 4.463 4.480 -0.000 0.000 0.259 761 M C 1.822 178.186 176.300 0.106 0.000 1.240 761 M CA 0.933 56.344 55.300 0.186 0.000 1.210 761 M CB 0.520 33.206 32.600 0.142 0.000 1.281 761 M HN 0.069 nan 8.290 nan 0.000 0.515 762 S N -0.279 115.460 115.700 0.066 0.000 2.502 762 S HA 0.377 4.847 4.470 -0.000 0.000 0.215 762 S C 1.477 176.099 174.600 0.036 0.000 1.009 762 S CA 0.187 58.419 58.200 0.052 0.000 0.908 762 S CB 0.334 63.566 63.200 0.054 0.000 0.801 762 S HN 0.350 nan 8.310 nan 0.000 0.505 763 A N 0.430 123.263 122.820 0.023 0.000 2.106 763 A HA 0.660 4.980 4.320 -0.000 0.000 0.218 763 A C 0.664 178.240 177.584 -0.014 0.000 1.718 763 A CA 0.594 52.641 52.037 0.018 0.000 0.768 763 A CB -0.027 18.993 19.000 0.032 0.000 1.321 763 A HN 0.759 nan 8.150 nan 0.000 0.567 764 C N -1.163 118.102 119.300 -0.058 0.000 3.218 764 C HA 0.448 4.908 4.460 -0.000 0.000 0.420 764 C C 1.487 176.337 174.990 -0.234 0.000 0.987 764 C CA -0.310 58.629 59.018 -0.132 0.000 1.196 764 C CB 0.212 27.904 27.740 -0.079 0.000 1.576 764 C HN 0.579 nan 8.230 nan 0.000 0.594 765 V N 5.033 124.718 119.914 -0.380 0.000 2.235 765 V HA 0.288 4.408 4.120 -0.000 0.000 0.244 765 V C 1.727 177.574 176.094 -0.413 0.000 1.036 765 V CA 2.630 64.621 62.300 -0.515 0.000 1.001 765 V CB -1.258 30.166 31.823 -0.666 0.000 0.643 765 V HN 1.954 nan 8.190 nan 0.000 0.463 766 G N -1.347 107.146 108.800 -0.512 0.000 2.369 766 G HA2 0.231 4.191 3.960 -0.000 0.000 0.295 766 G HA3 0.231 4.191 3.960 -0.000 0.000 0.295 766 G C -1.287 173.365 174.900 -0.413 0.000 1.298 766 G CA -0.135 44.715 45.100 -0.418 0.000 0.940 766 G HN 0.518 nan 8.290 nan 0.000 0.536 767 Q N 0.003 119.739 119.800 -0.107 0.000 2.288 767 Q HA 0.625 4.965 4.340 -0.000 0.000 0.258 767 Q C 0.511 176.497 176.000 -0.022 0.000 0.957 767 Q CA -0.011 55.823 55.803 0.051 0.000 0.919 767 Q CB 1.055 29.937 28.738 0.240 0.000 1.185 767 Q HN 0.557 nan 8.270 nan 0.000 0.408 768 Q N 1.176 120.966 119.800 -0.017 0.000 2.397 768 Q HA 0.660 4.999 4.340 -0.000 0.000 0.193 768 Q C -0.933 175.066 176.000 -0.001 0.000 1.083 768 Q CA 0.115 55.910 55.803 -0.014 0.000 1.108 768 Q CB 1.286 30.047 28.738 0.038 0.000 1.172 768 Q HN 0.852 nan 8.270 nan 0.000 0.617 769 S N -2.200 113.500 115.700 0.000 0.000 2.565 769 S HA 0.637 5.107 4.470 -0.000 0.000 0.274 769 S C -1.610 172.983 174.600 -0.012 0.000 1.144 769 S CA -1.002 57.189 58.200 -0.014 0.000 0.849 769 S CB 0.705 63.899 63.200 -0.010 0.000 1.103 769 S HN 0.239 nan 8.310 nan 0.000 0.455 770 V N 1.566 121.466 119.914 -0.024 0.000 2.439 770 V HA 0.572 4.692 4.120 -0.000 0.000 0.277 770 V C 0.038 176.124 176.094 -0.013 0.000 1.008 770 V CA -0.538 61.752 62.300 -0.017 0.000 0.846 770 V CB -0.090 31.720 31.823 -0.021 0.000 1.031 770 V HN 1.142 nan 8.190 nan 0.000 0.441 771 E N 2.864 123.061 120.200 -0.005 0.000 3.547 771 E HA -0.253 4.096 4.350 -0.000 0.000 0.309 771 E C 1.221 177.826 176.600 0.007 0.000 0.855 771 E CA 0.828 57.233 56.400 0.008 0.000 1.122 771 E CB -1.354 28.358 29.700 0.020 0.000 1.569 771 E HN 1.438 nan 8.360 nan 0.000 0.429 772 G N 0.536 109.334 108.800 -0.003 0.000 3.642 772 G HA2 -0.340 3.619 3.960 -0.000 0.000 0.205 772 G HA3 -0.340 3.619 3.960 -0.000 0.000 0.205 772 G C -0.058 174.829 174.900 -0.021 0.000 1.526 772 G CA -0.109 44.991 45.100 0.001 0.000 1.097 772 G HN 0.128 nan 8.290 nan 0.000 0.596 773 K N 3.723 124.104 120.400 -0.031 0.000 2.367 773 K HA 0.252 4.572 4.320 -0.000 0.000 0.275 773 K C 1.211 177.754 176.600 -0.095 0.000 1.125 773 K CA 0.250 56.498 56.287 -0.066 0.000 1.133 773 K CB 0.140 32.598 32.500 -0.070 0.000 0.875 773 K HN 0.755 nan 8.250 nan 0.000 0.467 774 R N 2.442 122.878 120.500 -0.108 0.000 2.715 774 R HA -0.110 4.230 4.340 -0.000 0.000 0.266 774 R C 0.228 176.418 176.300 -0.184 0.000 0.981 774 R CA -0.514 55.513 56.100 -0.123 0.000 1.105 774 R CB -0.179 30.047 30.300 -0.123 0.000 0.953 774 R HN 0.394 nan 8.270 nan 0.000 0.432 775 I N 1.051 121.501 120.570 -0.199 0.000 3.442 775 I HA -0.278 3.892 4.170 -0.000 0.000 0.358 775 I C 1.261 177.204 176.117 -0.291 0.000 1.163 775 I CA 0.983 62.117 61.300 -0.277 0.000 1.629 775 I CB -1.615 36.067 38.000 -0.530 0.000 1.237 775 I HN 0.872 nan 8.210 nan 0.000 0.453 776 A N 8.076 130.769 122.820 -0.211 0.000 2.445 776 A HA 0.585 4.905 4.320 -0.000 0.000 0.270 776 A C 0.007 177.582 177.584 -0.016 0.000 1.495 776 A CA -0.324 51.585 52.037 -0.214 0.000 0.840 776 A CB 0.386 19.321 19.000 -0.109 0.000 1.472 776 A HN 0.609 nan 8.150 nan 0.000 0.541 777 F N -0.126 119.783 119.950 -0.070 0.000 2.366 777 F HA 0.340 4.867 4.527 -0.000 0.000 0.357 777 F C 1.445 177.262 175.800 0.029 0.000 1.107 777 F CA -0.409 57.582 58.000 -0.015 0.000 1.208 777 F CB 1.145 40.150 39.000 0.008 0.000 1.464 777 F HN 0.716 nan 8.300 nan 0.000 0.501 778 G N 1.899 110.810 108.800 0.185 0.000 2.539 778 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.215 778 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.215 778 G C 0.522 175.587 174.900 0.275 0.000 1.141 778 G CA 0.030 45.206 45.100 0.127 0.000 0.806 778 G HN 0.460 nan 8.290 nan 0.000 0.533 779 F N 2.232 122.206 119.950 0.040 0.000 2.541 779 F HA 0.269 4.796 4.527 -0.000 0.000 0.351 779 F C 0.550 176.309 175.800 -0.067 0.000 1.209 779 F CA -1.052 56.940 58.000 -0.014 0.000 1.277 779 F CB 0.761 39.743 39.000 -0.030 0.000 1.632 779 F HN -0.289 nan 8.300 nan 0.000 0.619 780 V N 4.581 124.575 119.914 0.133 0.000 5.306 780 V HA -0.335 3.784 4.120 -0.000 0.000 0.212 780 V C 0.481 176.524 176.094 -0.086 0.000 0.989 780 V CA 1.096 63.417 62.300 0.034 0.000 0.840 780 V CB -1.171 30.655 31.823 0.005 0.000 0.621 780 V HN 0.858 nan 8.190 nan 0.000 0.383 781 D N 2.676 122.987 120.400 -0.148 0.000 2.746 781 D HA -0.184 4.456 4.640 -0.000 0.000 0.236 781 D C 0.444 176.055 176.300 -1.148 0.000 1.129 781 D CA 1.565 55.287 54.000 -0.463 0.000 0.691 781 D CB -0.212 40.512 40.800 -0.126 0.000 1.077 781 D HN 1.074 nan 8.370 nan 0.000 0.432 782 R N -4.213 115.311 120.500 -1.626 0.000 3.086 782 R HA 0.304 4.644 4.340 -0.000 0.000 0.286 782 R C 0.009 176.231 176.300 -0.131 0.000 0.958 782 R CA -0.719 54.743 56.100 -1.064 0.000 0.822 782 R CB 0.012 30.142 30.300 -0.284 0.000 1.382 782 R HN -0.190 nan 8.270 nan 0.000 0.519 783 T N 0.236 114.941 114.554 0.252 0.000 2.898 783 T HA 0.342 4.692 4.350 -0.000 0.000 0.241 783 T C 0.496 175.306 174.700 0.183 0.000 1.024 783 T CA 0.543 62.811 62.100 0.281 0.000 1.174 783 T CB -0.019 69.045 68.868 0.327 0.000 0.873 783 T HN 0.253 nan 8.240 nan 0.000 0.422 784 L N 1.760 123.125 121.223 0.236 0.000 2.354 784 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 784 L C -1.791 175.201 176.870 0.204 0.000 1.005 784 L CA -2.516 52.334 54.840 0.017 0.000 0.819 784 L CB 2.188 43.896 42.059 -0.584 0.000 1.311 784 L HN -0.070 nan 8.230 nan 0.000 0.423 785 P HA -0.155 nan 4.420 nan 0.000 0.234 785 P C 0.528 177.983 177.300 0.258 0.000 1.162 785 P CA 1.218 64.443 63.100 0.208 0.000 0.759 785 P CB -0.177 31.591 31.700 0.114 0.000 0.813 786 H N -1.803 117.204 119.070 -0.104 0.000 2.610 786 H HA 0.318 4.873 4.556 -0.000 0.000 0.302 786 H C 0.234 175.510 175.328 -0.086 0.000 1.063 786 H CA -0.506 55.445 56.048 -0.162 0.000 1.159 786 H CB -0.396 29.183 29.762 -0.304 0.000 1.427 786 H HN 0.186 nan 8.280 nan 0.000 0.553 787 F N 0.214 120.267 119.950 0.171 0.000 2.599 787 F HA 0.282 4.809 4.527 -0.000 0.000 0.311 787 F C -0.028 175.803 175.800 0.052 0.000 1.076 787 F CA -1.396 56.669 58.000 0.108 0.000 0.937 787 F CB 2.240 41.304 39.000 0.105 0.000 1.282 787 F HN -0.085 nan 8.300 nan 0.000 0.460 788 S N 2.155 117.999 115.700 0.241 0.000 2.499 788 S HA 0.188 4.658 4.470 -0.000 0.000 0.275 788 S C -0.263 174.362 174.600 0.041 0.000 1.257 788 S CA -0.780 57.483 58.200 0.106 0.000 1.050 788 S CB 0.748 63.996 63.200 0.081 0.000 0.937 788 S HN 0.404 nan 8.310 nan 0.000 0.490 789 K N 2.322 122.724 120.400 0.004 0.000 2.606 789 K HA -0.115 4.205 4.320 -0.000 0.000 0.279 789 K C -0.026 176.564 176.600 -0.016 0.000 0.961 789 K CA 0.612 56.865 56.287 -0.056 0.000 1.002 789 K CB 0.038 32.513 32.500 -0.042 0.000 0.871 789 K HN 0.634 nan 8.250 nan 0.000 0.508 790 D N 1.972 122.352 120.400 -0.032 0.000 2.802 790 D HA -0.201 4.439 4.640 -0.000 0.000 0.229 790 D C -0.734 175.714 176.300 0.246 0.000 1.203 790 D CA 0.981 55.094 54.000 0.189 0.000 0.712 790 D CB -0.534 40.373 40.800 0.177 0.000 0.973 790 D HN 0.501 nan 8.370 nan 0.000 0.407 791 D N 0.210 120.735 120.400 0.208 0.000 2.440 791 D HA 0.123 4.762 4.640 -0.000 0.000 0.239 791 D C -0.010 176.438 176.300 0.246 0.000 1.084 791 D CA -0.587 53.504 54.000 0.153 0.000 0.843 791 D CB 0.494 41.253 40.800 -0.068 0.000 1.097 791 D HN 0.071 nan 8.370 nan 0.000 0.531 792 Y N 1.575 121.963 120.300 0.147 0.000 2.458 792 Y HA 0.072 4.621 4.550 -0.000 0.000 0.256 792 Y C 1.418 177.358 175.900 0.065 0.000 1.159 792 Y CA -0.244 57.947 58.100 0.151 0.000 1.261 792 Y CB 0.072 38.682 38.460 0.249 0.000 1.119 792 Y HN 0.313 nan 8.280 nan 0.000 0.524 793 S N 1.268 117.039 115.700 0.118 0.000 2.563 793 S HA -0.021 4.449 4.470 -0.000 0.000 0.269 793 S C -1.388 173.204 174.600 -0.013 0.000 1.364 793 S CA -0.853 57.373 58.200 0.043 0.000 1.010 793 S CB 0.736 63.933 63.200 -0.005 0.000 0.877 793 S HN 0.113 nan 8.310 nan 0.000 0.549 794 P HA -0.075 nan 4.420 nan 0.000 0.216 794 P C 0.592 177.958 177.300 0.110 0.000 1.153 794 P CA 1.207 64.291 63.100 -0.026 0.000 0.848 794 P CB -0.199 31.387 31.700 -0.189 0.000 0.787 795 E N -0.257 120.018 120.200 0.126 0.000 2.533 795 E HA -0.040 4.310 4.350 -0.000 0.000 0.203 795 E C 1.752 178.533 176.600 0.302 0.000 1.101 795 E CA 0.649 57.202 56.400 0.256 0.000 0.894 795 E CB -0.745 29.081 29.700 0.209 0.000 0.843 795 E HN 0.243 nan 8.360 nan 0.000 0.552 796 S N -0.986 114.789 115.700 0.126 0.000 2.653 796 S HA 0.100 4.570 4.470 -0.000 0.000 0.259 796 S C 1.248 175.865 174.600 0.029 0.000 1.076 796 S CA -0.351 57.915 58.200 0.111 0.000 1.051 796 S CB 0.276 63.174 63.200 -0.504 0.000 0.994 796 S HN -0.078 nan 8.310 nan 0.000 0.552 797 K N 1.680 122.048 120.400 -0.053 0.000 2.458 797 K HA 0.284 4.604 4.320 -0.000 0.000 0.194 797 K C 0.659 177.157 176.600 -0.169 0.000 1.024 797 K CA 0.691 56.866 56.287 -0.188 0.000 1.108 797 K CB 0.229 32.597 32.500 -0.220 0.000 0.846 797 K HN 0.546 nan 8.250 nan 0.000 0.518 798 G N 2.000 110.793 108.800 -0.011 0.000 2.842 798 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.242 798 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.242 798 G C -0.868 174.216 174.900 0.307 0.000 1.135 798 G CA -0.615 44.600 45.100 0.192 0.000 1.048 798 G HN 0.228 nan 8.290 nan 0.000 0.530 799 F N 1.844 121.908 119.950 0.190 0.000 2.445 799 F HA 0.620 5.147 4.527 -0.000 0.000 0.348 799 F C 0.048 175.901 175.800 0.088 0.000 1.125 799 F CA -1.135 56.920 58.000 0.092 0.000 0.983 799 F CB 1.871 40.906 39.000 0.058 0.000 1.198 799 F HN 0.130 nan 8.300 nan 0.000 0.436 800 V N 7.404 126.989 119.914 -0.549 0.000 2.356 800 V HA 0.079 4.199 4.120 -0.000 0.000 0.258 800 V C 1.076 176.727 176.094 -0.738 0.000 1.065 800 V CA 0.057 62.078 62.300 -0.466 0.000 0.935 800 V CB 0.838 32.429 31.823 -0.387 0.000 1.061 800 V HN 0.942 nan 8.190 nan 0.000 0.484 801 E N 3.964 123.920 120.200 -0.407 0.000 2.216 801 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 801 E C 0.795 177.331 176.600 -0.107 0.000 0.988 801 E CA 0.249 56.545 56.400 -0.173 0.000 0.834 801 E CB 0.332 30.157 29.700 0.209 0.000 0.772 801 E HN 0.707 nan 8.360 nan 0.000 0.479 802 N N 1.164 119.804 118.700 -0.099 0.000 2.467 802 N HA 0.011 4.751 4.740 -0.000 0.000 0.262 802 N C -0.418 175.020 175.510 -0.119 0.000 1.234 802 N CA 0.204 53.217 53.050 -0.061 0.000 0.952 802 N CB 1.423 39.899 38.487 -0.019 0.000 1.158 802 N HN 0.048 nan 8.380 nan 0.000 0.463 803 S N 0.144 115.807 115.700 -0.062 0.000 2.610 803 S HA 0.215 4.685 4.470 -0.000 0.000 0.273 803 S C 1.072 175.677 174.600 0.008 0.000 1.274 803 S CA -0.691 57.468 58.200 -0.067 0.000 1.023 803 S CB 0.487 63.684 63.200 -0.004 0.000 0.962 803 S HN 0.547 nan 8.310 nan 0.000 0.523 804 Y N 0.169 120.471 120.300 0.004 0.000 2.538 804 Y HA -0.150 4.400 4.550 -0.000 0.000 0.287 804 Y C 1.977 177.888 175.900 0.018 0.000 1.157 804 Y CA 0.375 58.488 58.100 0.022 0.000 1.338 804 Y CB -0.086 38.389 38.460 0.025 0.000 0.970 804 Y HN 0.601 nan 8.280 nan 0.000 0.564 805 L N 0.131 121.451 121.223 0.162 0.000 2.131 805 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 805 L C 2.059 178.971 176.870 0.069 0.000 1.087 805 L CA 1.557 56.453 54.840 0.095 0.000 0.767 805 L CB -0.354 41.746 42.059 0.069 0.000 0.917 805 L HN -0.044 nan 8.230 nan 0.000 0.441 806 R N -0.162 120.376 120.500 0.062 0.000 2.100 806 R HA 0.336 4.676 4.340 -0.000 0.000 0.220 806 R C 0.329 176.660 176.300 0.052 0.000 1.091 806 R CA 0.617 56.744 56.100 0.045 0.000 0.986 806 R CB -0.233 30.087 30.300 0.034 0.000 0.888 806 R HN 0.465 nan 8.270 nan 0.000 0.444 807 G N 0.994 109.840 108.800 0.078 0.000 3.190 807 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 807 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 807 G C -0.690 174.258 174.900 0.079 0.000 1.033 807 G CA -1.064 44.093 45.100 0.095 0.000 0.797 807 G HN -0.022 nan 8.290 nan 0.000 0.567 808 L N 1.190 122.489 121.223 0.127 0.000 2.473 808 L HA 0.499 4.839 4.340 -0.000 0.000 0.280 808 L C 1.852 178.770 176.870 0.079 0.000 1.266 808 L CA 1.115 56.026 54.840 0.119 0.000 0.824 808 L CB 0.014 42.220 42.059 0.244 0.000 1.091 808 L HN 1.149 nan 8.230 nan 0.000 0.534 809 T N -3.000 111.597 114.554 0.071 0.000 2.940 809 T HA 0.501 4.851 4.350 -0.000 0.000 0.288 809 T C -2.011 172.722 174.700 0.055 0.000 1.033 809 T CA -1.972 60.154 62.100 0.043 0.000 1.033 809 T CB 1.718 70.609 68.868 0.038 0.000 1.079 809 T HN 0.359 nan 8.240 nan 0.000 0.496 810 P HA -0.275 nan 4.420 nan 0.000 0.221 810 P C 1.439 178.746 177.300 0.011 0.000 1.160 810 P CA 1.745 64.885 63.100 0.067 0.000 0.933 810 P CB 0.008 31.742 31.700 0.057 0.000 0.793 811 Q N -0.582 119.117 119.800 -0.168 0.000 1.967 811 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 811 Q C 2.190 177.762 176.000 -0.714 0.000 0.985 811 Q CA 1.559 57.025 55.803 -0.561 0.000 0.839 811 Q CB -0.891 27.571 28.738 -0.460 0.000 0.906 811 Q HN 0.381 nan 8.270 nan 0.000 0.423 812 E N 0.257 120.274 120.200 -0.305 0.000 2.055 812 E HA -0.267 4.083 4.350 -0.000 0.000 0.209 812 E C 1.801 178.390 176.600 -0.018 0.000 1.036 812 E CA 1.417 57.738 56.400 -0.132 0.000 0.849 812 E CB -0.457 29.246 29.700 0.005 0.000 0.767 812 E HN 0.220 nan 8.360 nan 0.000 0.461 813 F N 1.021 120.944 119.950 -0.046 0.000 2.048 813 F HA -0.332 4.195 4.527 -0.000 0.000 0.296 813 F C 2.196 178.002 175.800 0.010 0.000 1.109 813 F CA 2.037 60.049 58.000 0.020 0.000 1.214 813 F CB -0.732 38.268 39.000 0.001 0.000 0.963 813 F HN 0.022 nan 8.300 nan 0.000 0.491 814 F N -0.046 119.818 119.950 -0.142 0.000 2.095 814 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 814 F C 2.252 178.035 175.800 -0.029 0.000 1.104 814 F CA 2.074 59.969 58.000 -0.175 0.000 1.232 814 F CB -0.706 38.217 39.000 -0.128 0.000 0.987 814 F HN 0.049 nan 8.300 nan 0.000 0.475 815 F N -1.214 118.907 119.950 0.285 0.000 2.051 815 F HA -0.314 4.213 4.527 -0.000 0.000 0.296 815 F C 2.661 178.496 175.800 0.058 0.000 1.122 815 F CA 0.947 59.061 58.000 0.191 0.000 1.201 815 F CB -1.120 37.970 39.000 0.150 0.000 0.978 815 F HN 0.062 nan 8.300 nan 0.000 0.472 816 H N 1.105 120.234 119.070 0.098 0.000 2.337 816 H HA -0.287 4.269 4.556 -0.000 0.000 0.288 816 H C 2.030 177.276 175.328 -0.137 0.000 1.117 816 H CA 1.699 57.723 56.048 -0.040 0.000 1.205 816 H CB -0.771 28.934 29.762 -0.095 0.000 1.353 816 H HN 0.258 nan 8.280 nan 0.000 0.480 817 A N 0.787 123.480 122.820 -0.211 0.000 1.837 817 A HA -0.273 4.046 4.320 -0.000 0.000 0.216 817 A C 2.833 180.296 177.584 -0.202 0.000 1.210 817 A CA 2.619 54.421 52.037 -0.391 0.000 0.632 817 A CB -1.134 17.461 19.000 -0.675 0.000 0.843 817 A HN 0.547 nan 8.150 nan 0.000 0.448 818 M N -0.459 119.033 119.600 -0.179 0.000 2.146 818 M HA -0.269 4.210 4.480 -0.000 0.000 0.251 818 M C 2.153 178.442 176.300 -0.018 0.000 1.083 818 M CA 1.884 57.147 55.300 -0.062 0.000 1.076 818 M CB -1.101 31.538 32.600 0.065 0.000 1.332 818 M HN 0.563 nan 8.290 nan 0.000 0.400 819 G N -0.317 108.501 108.800 0.029 0.000 2.433 819 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.216 819 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.216 819 G C 1.489 176.409 174.900 0.032 0.000 1.186 819 G CA 1.048 46.176 45.100 0.047 0.000 0.779 819 G HN 0.576 nan 8.290 nan 0.000 0.543 820 G N 0.911 109.732 108.800 0.035 0.000 2.464 820 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.214 820 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.214 820 G C 1.774 176.651 174.900 -0.038 0.000 1.218 820 G CA 1.198 46.298 45.100 0.000 0.000 0.794 820 G HN 0.544 nan 8.290 nan 0.000 0.542 821 R N 1.013 121.468 120.500 -0.076 0.000 2.429 821 R HA -0.162 4.178 4.340 -0.000 0.000 0.249 821 R C 1.933 178.206 176.300 -0.045 0.000 1.203 821 R CA 2.002 58.058 56.100 -0.074 0.000 1.062 821 R CB -0.525 29.715 30.300 -0.099 0.000 0.849 821 R HN 0.595 nan 8.270 nan 0.000 0.494 822 E N -0.823 119.359 120.200 -0.031 0.000 2.006 822 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 822 E C 1.913 178.500 176.600 -0.022 0.000 0.993 822 E CA 1.159 57.546 56.400 -0.022 0.000 0.808 822 E CB -0.501 29.191 29.700 -0.013 0.000 0.764 822 E HN 0.531 nan 8.360 nan 0.000 0.449 823 G N 1.786 110.574 108.800 -0.020 0.000 2.574 823 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 823 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 823 G C 1.508 176.393 174.900 -0.025 0.000 1.173 823 G CA 1.201 46.288 45.100 -0.022 0.000 0.772 823 G HN 0.267 nan 8.290 nan 0.000 0.585 824 L N 0.277 121.483 121.223 -0.028 0.000 2.671 824 L HA -0.092 4.248 4.340 -0.000 0.000 0.236 824 L C 2.257 179.111 176.870 -0.025 0.000 1.178 824 L CA 0.479 55.301 54.840 -0.030 0.000 0.829 824 L CB -0.381 41.656 42.059 -0.038 0.000 0.956 824 L HN 0.373 nan 8.230 nan 0.000 0.455 825 I N -1.050 119.506 120.570 -0.023 0.000 3.345 825 I HA -0.050 4.120 4.170 -0.000 0.000 0.258 825 I C 1.474 177.581 176.117 -0.017 0.000 1.134 825 I CA 0.329 61.618 61.300 -0.018 0.000 1.457 825 I CB -0.332 37.658 38.000 -0.016 0.000 1.425 825 I HN 0.159 nan 8.210 nan 0.000 0.461 826 D N 0.431 120.818 120.400 -0.021 0.000 2.379 826 D HA -0.096 4.543 4.640 -0.000 0.000 0.243 826 D C 1.252 177.537 176.300 -0.025 0.000 1.088 826 D CA 0.765 54.750 54.000 -0.025 0.000 0.925 826 D CB -0.485 40.293 40.800 -0.036 0.000 0.888 826 D HN 0.182 nan 8.370 nan 0.000 0.529 827 T N -1.210 113.332 114.554 -0.021 0.000 2.990 827 T HA 0.306 4.656 4.350 -0.000 0.000 0.249 827 T C 1.858 176.549 174.700 -0.015 0.000 1.039 827 T CA 0.370 62.458 62.100 -0.020 0.000 1.036 827 T CB 0.310 69.165 68.868 -0.022 0.000 0.994 827 T HN 0.330 nan 8.240 nan 0.000 0.489 828 A N 0.909 123.721 122.820 -0.013 0.000 2.072 828 A HA 0.196 4.516 4.320 -0.000 0.000 0.216 828 A C 2.144 179.726 177.584 -0.004 0.000 1.156 828 A CA 0.759 52.791 52.037 -0.009 0.000 0.701 828 A CB -0.282 18.713 19.000 -0.009 0.000 0.816 828 A HN 0.350 nan 8.150 nan 0.000 0.458 829 V N 0.191 120.102 119.914 -0.005 0.000 2.788 829 V HA -0.078 4.041 4.120 -0.000 0.000 0.241 829 V C 2.305 178.400 176.094 0.002 0.000 1.083 829 V CA 1.356 63.657 62.300 0.000 0.000 1.103 829 V CB -0.608 31.215 31.823 0.001 0.000 0.800 829 V HN 0.695 nan 8.190 nan 0.000 0.476 830 K N 0.850 121.246 120.400 -0.006 0.000 2.044 830 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 830 K C 2.111 178.711 176.600 0.001 0.000 1.049 830 K CA 2.415 58.698 56.287 -0.008 0.000 0.927 830 K CB -0.722 31.766 32.500 -0.021 0.000 0.713 830 K HN 0.354 nan 8.250 nan 0.000 0.443 831 T N 0.226 114.779 114.554 -0.002 0.000 2.803 831 T HA -0.114 4.235 4.350 -0.000 0.000 0.269 831 T C 1.771 176.479 174.700 0.014 0.000 1.052 831 T CA 1.371 63.471 62.100 0.001 0.000 1.136 831 T CB -0.327 68.539 68.868 -0.004 0.000 0.864 831 T HN 0.532 nan 8.240 nan 0.000 0.467 832 A N 0.568 123.398 122.820 0.016 0.000 1.873 832 A HA -0.044 4.276 4.320 -0.000 0.000 0.215 832 A C 2.149 179.760 177.584 0.046 0.000 1.186 832 A CA 1.756 53.806 52.037 0.022 0.000 0.616 832 A CB -0.411 18.596 19.000 0.013 0.000 0.823 832 A HN 0.537 nan 8.150 nan 0.000 0.442 833 E N -1.459 118.774 120.200 0.055 0.000 2.190 833 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 833 E C 2.008 178.673 176.600 0.108 0.000 0.978 833 E CA 0.825 57.287 56.400 0.102 0.000 0.839 833 E CB -0.003 29.750 29.700 0.089 0.000 0.787 833 E HN 0.532 nan 8.360 nan 0.000 0.473 834 T N 0.057 114.643 114.554 0.053 0.000 2.536 834 T HA -0.277 4.073 4.350 -0.000 0.000 0.263 834 T C 1.806 176.530 174.700 0.039 0.000 1.115 834 T CA 1.710 63.825 62.100 0.024 0.000 1.180 834 T CB -1.013 67.855 68.868 -0.001 0.000 0.864 834 T HN 0.451 nan 8.240 nan 0.000 0.419 835 G N 0.238 109.068 108.800 0.050 0.000 2.649 835 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.220 835 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.220 835 G C 1.350 176.320 174.900 0.115 0.000 1.189 835 G CA 1.570 46.708 45.100 0.063 0.000 0.777 835 G HN 0.554 nan 8.290 nan 0.000 0.602 836 Y N 1.482 121.793 120.300 0.017 0.000 2.114 836 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 836 Y C 2.713 178.632 175.900 0.030 0.000 1.165 836 Y CA 1.452 59.577 58.100 0.043 0.000 1.148 836 Y CB -0.533 37.963 38.460 0.060 0.000 0.972 836 Y HN 0.253 nan 8.280 nan 0.000 0.504 837 I N -0.215 120.325 120.570 -0.050 0.000 2.069 837 I HA -0.422 3.748 4.170 -0.000 0.000 0.237 837 I C 2.655 178.671 176.117 -0.169 0.000 1.053 837 I CA 1.877 63.078 61.300 -0.164 0.000 1.311 837 I CB -0.695 37.260 38.000 -0.076 0.000 1.030 837 I HN 0.266 nan 8.210 nan 0.000 0.398 838 Q N 0.957 120.695 119.800 -0.103 0.000 2.103 838 Q HA -0.329 4.011 4.340 -0.000 0.000 0.213 838 Q C 2.232 178.151 176.000 -0.135 0.000 1.008 838 Q CA 2.517 58.254 55.803 -0.110 0.000 0.879 838 Q CB -0.460 28.233 28.738 -0.074 0.000 0.946 838 Q HN 0.454 nan 8.270 nan 0.000 0.413 839 R N -0.233 120.199 120.500 -0.112 0.000 2.070 839 R HA -0.159 4.181 4.340 -0.000 0.000 0.232 839 R C 2.482 178.627 176.300 -0.259 0.000 1.138 839 R CA 1.861 57.880 56.100 -0.136 0.000 0.936 839 R CB -0.170 30.105 30.300 -0.041 0.000 0.839 839 R HN 0.196 nan 8.270 nan 0.000 0.429 840 R N 0.657 120.960 120.500 -0.329 0.000 2.115 840 R HA -0.197 4.142 4.340 -0.000 0.000 0.239 840 R C 2.475 178.521 176.300 -0.424 0.000 1.133 840 R CA 2.284 58.137 56.100 -0.411 0.000 0.935 840 R CB -1.060 29.028 30.300 -0.354 0.000 0.853 840 R HN 0.242 nan 8.270 nan 0.000 0.433 841 L N 0.289 121.314 121.223 -0.329 0.000 1.976 841 L HA -0.313 4.026 4.340 -0.000 0.000 0.223 841 L C 2.469 179.144 176.870 -0.325 0.000 1.081 841 L CA 1.741 56.397 54.840 -0.307 0.000 0.784 841 L CB -0.879 41.047 42.059 -0.221 0.000 0.896 841 L HN 0.101 nan 8.230 nan 0.000 0.438 842 V N -0.431 119.325 119.914 -0.263 0.000 2.282 842 V HA -0.308 3.812 4.120 -0.000 0.000 0.249 842 V C 2.428 178.375 176.094 -0.245 0.000 1.057 842 V CA 2.085 64.253 62.300 -0.220 0.000 1.032 842 V CB -0.569 31.150 31.823 -0.174 0.000 0.645 842 V HN 0.347 nan 8.190 nan 0.000 0.447 843 K N 0.212 120.426 120.400 -0.311 0.000 2.442 843 K HA 0.067 4.387 4.320 -0.000 0.000 0.198 843 K C 1.806 178.218 176.600 -0.313 0.000 1.042 843 K CA 1.081 57.191 56.287 -0.296 0.000 0.958 843 K CB -0.406 31.813 32.500 -0.469 0.000 0.766 843 K HN 0.493 nan 8.250 nan 0.000 0.474 844 A N -0.468 122.005 122.820 -0.578 0.000 1.997 844 A HA 0.148 4.468 4.320 -0.000 0.000 0.212 844 A C 1.284 178.632 177.584 -0.394 0.000 1.178 844 A CA 0.476 51.989 52.037 -0.874 0.000 0.698 844 A CB 0.001 18.244 19.000 -1.262 0.000 0.842 844 A HN 0.231 nan 8.150 nan 0.000 0.458 845 L N -0.495 120.563 121.223 -0.276 0.000 2.910 845 L HA 0.234 4.574 4.340 -0.000 0.000 0.252 845 L C 1.192 178.000 176.870 -0.104 0.000 1.195 845 L CA -0.198 54.547 54.840 -0.158 0.000 1.003 845 L CB -0.208 41.767 42.059 -0.140 0.000 1.328 845 L HN 0.301 nan 8.230 nan 0.000 0.540 846 E N 1.802 121.941 120.200 -0.102 0.000 2.002 846 E HA -0.275 4.075 4.350 -0.000 0.000 0.213 846 E C 1.189 177.763 176.600 -0.043 0.000 1.024 846 E CA 1.968 58.327 56.400 -0.068 0.000 0.876 846 E CB -0.283 29.388 29.700 -0.049 0.000 0.799 846 E HN 0.592 nan 8.360 nan 0.000 0.497 847 D N 1.063 121.450 120.400 -0.022 0.000 2.424 847 D HA -0.181 4.459 4.640 -0.000 0.000 0.221 847 D C 0.520 176.825 176.300 0.009 0.000 0.978 847 D CA 0.798 54.798 54.000 -0.001 0.000 0.971 847 D CB -0.803 40.006 40.800 0.016 0.000 0.869 847 D HN 0.207 nan 8.370 nan 0.000 0.506 848 I N 0.862 121.427 120.570 -0.008 0.000 2.322 848 I HA 0.202 4.372 4.170 -0.000 0.000 0.292 848 I C 0.361 176.486 176.117 0.013 0.000 1.060 848 I CA -0.386 60.917 61.300 0.004 0.000 1.309 848 I CB 0.123 38.120 38.000 -0.006 0.000 1.415 848 I HN -0.009 nan 8.210 nan 0.000 0.492 849 M N 4.905 124.536 119.600 0.051 0.000 2.433 849 M HA 0.510 4.990 4.480 -0.000 0.000 0.290 849 M C -1.194 175.179 176.300 0.121 0.000 1.173 849 M CA -0.902 54.419 55.300 0.035 0.000 0.905 849 M CB 2.088 34.680 32.600 -0.013 0.000 1.692 849 M HN 0.009 nan 8.290 nan 0.000 0.462 850 V N 4.226 124.153 119.914 0.021 0.000 2.420 850 V HA 0.034 4.154 4.120 -0.000 0.000 0.274 850 V C 0.679 176.838 176.094 0.108 0.000 1.003 850 V CA 0.451 62.781 62.300 0.051 0.000 1.092 850 V CB -1.601 30.195 31.823 -0.046 0.000 1.002 850 V HN 0.815 nan 8.190 nan 0.000 0.473 851 H N 3.354 122.396 119.070 -0.048 0.000 2.307 851 H HA 0.101 4.657 4.556 -0.000 0.000 0.349 851 H C 0.660 175.988 175.328 0.001 0.000 1.754 851 H CA -0.176 55.833 56.048 -0.065 0.000 1.431 851 H CB 0.877 30.628 29.762 -0.018 0.000 1.666 851 H HN 0.564 nan 8.280 nan 0.000 0.582 852 Y N 0.223 120.615 120.300 0.154 0.000 2.439 852 Y HA -0.168 4.382 4.550 -0.000 0.000 0.292 852 Y C 1.876 177.826 175.900 0.083 0.000 1.130 852 Y CA 0.614 58.767 58.100 0.088 0.000 1.254 852 Y CB 0.146 38.644 38.460 0.063 0.000 1.000 852 Y HN 0.651 nan 8.280 nan 0.000 0.554 853 D N -1.918 118.639 120.400 0.261 0.000 2.355 853 D HA -0.118 4.522 4.640 -0.000 0.000 0.218 853 D C 0.510 176.901 176.300 0.151 0.000 1.004 853 D CA 0.461 54.564 54.000 0.173 0.000 0.880 853 D CB -0.274 40.613 40.800 0.144 0.000 0.911 853 D HN 0.082 nan 8.370 nan 0.000 0.528 854 N N -1.254 117.544 118.700 0.162 0.000 2.952 854 N HA -0.169 4.570 4.740 -0.000 0.000 0.245 854 N C -0.292 175.296 175.510 0.130 0.000 1.029 854 N CA 0.992 54.124 53.050 0.137 0.000 0.870 854 N CB -1.505 37.053 38.487 0.119 0.000 1.121 854 N HN 0.388 nan 8.380 nan 0.000 0.559 855 T N -0.590 114.028 114.554 0.107 0.000 2.793 855 T HA 0.399 4.748 4.350 -0.000 0.000 0.299 855 T C 0.235 174.948 174.700 0.021 0.000 1.038 855 T CA 0.739 62.863 62.100 0.039 0.000 0.948 855 T CB 0.750 69.597 68.868 -0.036 0.000 1.231 855 T HN 0.121 nan 8.240 nan 0.000 0.538 856 T N 2.550 117.065 114.554 -0.064 0.000 3.201 856 T HA 0.377 4.727 4.350 -0.000 0.000 0.338 856 T C -0.450 174.176 174.700 -0.123 0.000 1.095 856 T CA -0.558 61.529 62.100 -0.022 0.000 1.426 856 T CB 0.228 69.139 68.868 0.071 0.000 0.956 856 T HN 0.471 nan 8.240 nan 0.000 0.551 857 R N 1.746 122.108 120.500 -0.231 0.000 2.810 857 R HA 0.660 5.000 4.340 -0.000 0.000 0.245 857 R C 0.356 176.572 176.300 -0.141 0.000 1.168 857 R CA -1.131 54.810 56.100 -0.265 0.000 1.096 857 R CB 1.115 31.153 30.300 -0.437 0.000 1.259 857 R HN 0.624 nan 8.270 nan 0.000 0.518 858 N N -2.066 116.573 118.700 -0.102 0.000 2.619 858 N HA 0.082 4.822 4.740 -0.000 0.000 0.294 858 N C 0.471 175.983 175.510 0.004 0.000 1.279 858 N CA -0.543 52.492 53.050 -0.023 0.000 0.867 858 N CB 1.472 39.948 38.487 -0.017 0.000 1.329 858 N HN 0.513 nan 8.380 nan 0.000 0.557 859 S N -0.382 115.337 115.700 0.031 0.000 2.481 859 S HA -0.199 4.271 4.470 -0.000 0.000 0.253 859 S C 1.412 176.033 174.600 0.035 0.000 0.998 859 S CA 0.982 59.207 58.200 0.043 0.000 0.972 859 S CB -0.710 62.513 63.200 0.038 0.000 0.751 859 S HN 0.539 nan 8.310 nan 0.000 0.515 860 L N -0.173 121.059 121.223 0.015 0.000 2.276 860 L HA 0.428 4.767 4.340 -0.000 0.000 0.194 860 L C 2.332 179.201 176.870 -0.003 0.000 1.099 860 L CA 0.832 55.679 54.840 0.012 0.000 0.800 860 L CB -0.337 41.728 42.059 0.009 0.000 0.994 860 L HN 0.542 nan 8.230 nan 0.000 0.475 861 G N -1.891 106.884 108.800 -0.042 0.000 3.987 861 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.220 861 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.220 861 G C -0.364 174.470 174.900 -0.109 0.000 0.871 861 G CA -0.662 44.393 45.100 -0.075 0.000 0.881 861 G HN 0.157 nan 8.290 nan 0.000 0.674 862 N N 1.722 120.370 118.700 -0.085 0.000 2.454 862 N HA 0.317 5.057 4.740 -0.000 0.000 0.260 862 N C 0.831 176.240 175.510 -0.167 0.000 1.218 862 N CA 0.225 53.218 53.050 -0.095 0.000 0.904 862 N CB 1.672 40.127 38.487 -0.053 0.000 1.065 862 N HN 0.162 nan 8.380 nan 0.000 0.462 863 V N 2.277 122.048 119.914 -0.239 0.000 3.319 863 V HA 0.199 4.319 4.120 -0.000 0.000 0.303 863 V C 1.616 177.534 176.094 -0.293 0.000 1.094 863 V CA 0.047 62.109 62.300 -0.397 0.000 1.106 863 V CB 0.477 31.811 31.823 -0.816 0.000 1.099 863 V HN 0.647 nan 8.190 nan 0.000 0.476 864 I N 0.043 120.442 120.570 -0.284 0.000 4.604 864 I HA 0.230 4.400 4.170 -0.000 0.000 0.384 864 I C -0.240 175.823 176.117 -0.090 0.000 1.155 864 I CA 0.272 61.490 61.300 -0.137 0.000 1.313 864 I CB 0.444 38.397 38.000 -0.078 0.000 2.167 864 I HN 0.647 nan 8.210 nan 0.000 0.704 865 Q N -0.348 119.359 119.800 -0.156 0.000 2.766 865 Q HA 0.246 4.586 4.340 -0.000 0.000 0.240 865 Q C -0.995 174.963 176.000 -0.071 0.000 0.993 865 Q CA -0.379 55.424 55.803 -0.000 0.000 1.006 865 Q CB 1.653 30.423 28.738 0.053 0.000 1.804 865 Q HN 0.027 nan 8.270 nan 0.000 0.464 866 F N 0.825 120.799 119.950 0.041 0.000 2.765 866 F HA 0.360 4.886 4.527 -0.000 0.000 0.302 866 F C 0.322 176.157 175.800 0.059 0.000 1.111 866 F CA 0.416 58.440 58.000 0.041 0.000 1.359 866 F CB 0.787 39.806 39.000 0.032 0.000 1.097 866 F HN 0.326 nan 8.300 nan 0.000 0.577 867 I N -1.322 119.379 120.570 0.217 0.000 2.651 867 I HA 0.088 4.258 4.170 -0.000 0.000 0.287 867 I C -0.957 175.260 176.117 0.166 0.000 1.244 867 I CA -1.034 60.372 61.300 0.177 0.000 1.061 867 I CB 1.069 39.160 38.000 0.151 0.000 1.286 867 I HN -0.167 nan 8.210 nan 0.000 0.434 868 Y N 6.844 127.183 120.300 0.066 0.000 2.944 868 Y HA 0.249 4.799 4.550 -0.000 0.000 0.340 868 Y C 1.496 177.441 175.900 0.075 0.000 1.275 868 Y CA 1.436 59.570 58.100 0.056 0.000 1.590 868 Y CB 0.251 38.738 38.460 0.045 0.000 1.218 868 Y HN 0.910 nan 8.280 nan 0.000 0.576 869 G N 4.197 112.725 108.800 -0.453 0.000 2.180 869 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.263 869 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.263 869 G C 0.414 175.313 174.900 -0.002 0.000 0.989 869 G CA 0.655 45.579 45.100 -0.294 0.000 0.692 869 G HN 0.978 nan 8.290 nan 0.000 0.526 870 E N -1.451 118.770 120.200 0.035 0.000 3.070 870 E HA -0.251 4.099 4.350 -0.000 0.000 0.285 870 E C 0.819 177.448 176.600 0.048 0.000 0.972 870 E CA 1.245 57.688 56.400 0.071 0.000 0.915 870 E CB -0.889 28.863 29.700 0.087 0.000 1.466 870 E HN 0.921 nan 8.360 nan 0.000 0.432 871 D N -2.067 118.360 120.400 0.045 0.000 2.489 871 D HA 0.077 4.717 4.640 -0.000 0.000 0.343 871 D C 0.943 177.280 176.300 0.062 0.000 1.295 871 D CA 0.473 54.504 54.000 0.052 0.000 0.908 871 D CB -0.552 40.267 40.800 0.031 0.000 1.382 871 D HN 0.335 nan 8.370 nan 0.000 0.468 872 G N 1.345 110.204 108.800 0.098 0.000 2.341 872 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.292 872 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.292 872 G C -0.116 174.828 174.900 0.073 0.000 1.021 872 G CA 1.033 46.209 45.100 0.126 0.000 0.905 872 G HN 0.381 nan 8.290 nan 0.000 0.508 873 M N -0.076 119.585 119.600 0.103 0.000 2.508 873 M HA 0.546 5.026 4.480 -0.000 0.000 0.327 873 M C -0.392 176.026 176.300 0.196 0.000 1.160 873 M CA -1.737 53.591 55.300 0.047 0.000 0.980 873 M CB 1.805 34.395 32.600 -0.017 0.000 1.693 873 M HN 0.131 nan 8.290 nan 0.000 0.452 874 D N 1.795 122.306 120.400 0.185 0.000 2.274 874 D HA 0.515 5.155 4.640 -0.000 0.000 0.239 874 D C 0.856 177.240 176.300 0.140 0.000 1.104 874 D CA 0.165 54.293 54.000 0.214 0.000 0.840 874 D CB 1.300 42.224 40.800 0.208 0.000 1.100 874 D HN 0.701 nan 8.370 nan 0.000 0.477 875 A N 4.286 127.194 122.820 0.146 0.000 2.001 875 A HA -0.289 4.031 4.320 -0.000 0.000 0.224 875 A C 2.142 179.715 177.584 -0.018 0.000 1.203 875 A CA 2.634 54.710 52.037 0.064 0.000 0.667 875 A CB -0.974 18.075 19.000 0.082 0.000 0.823 875 A HN 0.737 nan 8.150 nan 0.000 0.473 876 A N -1.222 121.523 122.820 -0.125 0.000 1.940 876 A HA -0.153 4.166 4.320 -0.000 0.000 0.219 876 A C 1.312 178.706 177.584 -0.317 0.000 1.176 876 A CA 1.317 53.178 52.037 -0.292 0.000 0.631 876 A CB -0.673 18.037 19.000 -0.484 0.000 0.814 876 A HN 0.711 nan 8.150 nan 0.000 0.446 877 H N -0.514 118.580 119.070 0.041 0.000 2.588 877 H HA 0.586 5.142 4.556 -0.000 0.000 0.223 877 H C -0.829 174.512 175.328 0.022 0.000 1.804 877 H CA -0.024 56.041 56.048 0.028 0.000 1.269 877 H CB -0.562 29.183 29.762 -0.029 0.000 1.670 877 H HN 0.348 nan 8.280 nan 0.000 0.539 878 I N 1.040 121.687 120.570 0.128 0.000 2.842 878 I HA 0.233 4.403 4.170 -0.000 0.000 0.297 878 I C -0.757 175.444 176.117 0.140 0.000 1.380 878 I CA -0.733 60.636 61.300 0.114 0.000 1.018 878 I CB 2.921 40.987 38.000 0.110 0.000 1.311 878 I HN 0.246 nan 8.210 nan 0.000 0.439 879 E N 2.779 123.048 120.200 0.117 0.000 2.447 879 E HA 0.375 4.725 4.350 -0.000 0.000 0.279 879 E C -1.492 175.159 176.600 0.085 0.000 1.053 879 E CA -1.226 55.241 56.400 0.112 0.000 0.840 879 E CB 1.929 31.660 29.700 0.052 0.000 1.409 879 E HN 0.335 nan 8.360 nan 0.000 0.461 880 K N 1.911 122.343 120.400 0.055 0.000 2.127 880 K HA 0.119 4.439 4.320 -0.000 0.000 0.261 880 K C -0.496 176.103 176.600 -0.002 0.000 1.129 880 K CA 0.082 56.368 56.287 -0.002 0.000 0.993 880 K CB 0.220 32.687 32.500 -0.055 0.000 1.410 880 K HN 0.274 nan 8.250 nan 0.000 0.380 881 Q N 0.596 120.417 119.800 0.034 0.000 2.193 881 Q HA 0.265 4.605 4.340 -0.000 0.000 0.246 881 Q C -0.146 175.881 176.000 0.045 0.000 0.959 881 Q CA -0.760 55.071 55.803 0.046 0.000 0.904 881 Q CB 1.745 30.535 28.738 0.087 0.000 1.238 881 Q HN 0.492 nan 8.270 nan 0.000 0.469 882 S N 0.239 115.967 115.700 0.047 0.000 2.549 882 S HA 0.501 4.971 4.470 -0.000 0.000 0.297 882 S C -0.245 174.417 174.600 0.102 0.000 1.115 882 S CA -0.881 57.349 58.200 0.050 0.000 1.059 882 S CB 0.620 63.831 63.200 0.019 0.000 1.046 882 S HN 0.506 nan 8.310 nan 0.000 0.506 883 L N 3.133 124.434 121.223 0.131 0.000 2.389 883 L HA 0.255 4.595 4.340 -0.000 0.000 0.265 883 L C 0.597 177.547 176.870 0.134 0.000 1.167 883 L CA -0.494 54.439 54.840 0.156 0.000 1.045 883 L CB -0.063 42.120 42.059 0.207 0.000 1.351 883 L HN 0.782 nan 8.230 nan 0.000 0.419 884 D N 0.559 121.038 120.400 0.132 0.000 2.172 884 D HA -0.190 4.450 4.640 -0.000 0.000 0.196 884 D C 1.751 178.148 176.300 0.161 0.000 0.999 884 D CA 1.602 55.689 54.000 0.145 0.000 0.856 884 D CB 0.186 41.094 40.800 0.180 0.000 0.934 884 D HN 0.469 nan 8.370 nan 0.000 0.453 885 T N 1.451 116.107 114.554 0.169 0.000 2.665 885 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 885 T C 2.166 176.965 174.700 0.166 0.000 1.035 885 T CA 0.623 62.816 62.100 0.154 0.000 1.151 885 T CB -0.173 68.790 68.868 0.158 0.000 0.862 885 T HN 0.170 nan 8.240 nan 0.000 0.438 886 I N 0.511 121.167 120.570 0.143 0.000 2.060 886 I HA -0.036 4.134 4.170 -0.000 0.000 0.233 886 I C 1.873 178.059 176.117 0.115 0.000 1.054 886 I CA 0.804 62.179 61.300 0.125 0.000 1.318 886 I CB -1.052 37.018 38.000 0.117 0.000 1.054 886 I HN 0.298 nan 8.210 nan 0.000 0.395 887 G N -0.051 108.791 108.800 0.070 0.000 2.690 887 G HA2 0.363 4.323 3.960 -0.000 0.000 0.239 887 G HA3 0.363 4.323 3.960 -0.000 0.000 0.239 887 G C 0.063 175.037 174.900 0.122 0.000 1.233 887 G CA 0.413 45.555 45.100 0.071 0.000 0.847 887 G HN 0.843 nan 8.290 nan 0.000 0.588 888 G N -1.175 107.703 108.800 0.130 0.000 2.675 888 G HA2 0.328 4.288 3.960 -0.000 0.000 0.686 888 G HA3 0.328 4.288 3.960 -0.000 0.000 0.686 888 G C 0.014 174.987 174.900 0.121 0.000 1.215 888 G CA 0.101 45.274 45.100 0.122 0.000 0.777 888 G HN 1.961 nan 8.290 nan 0.000 0.638 889 S N 0.413 116.171 115.700 0.097 0.000 2.580 889 S HA 0.403 4.873 4.470 -0.000 0.000 0.274 889 S C 1.012 175.656 174.600 0.073 0.000 1.329 889 S CA 0.303 58.544 58.200 0.069 0.000 1.036 889 S CB 1.842 65.076 63.200 0.057 0.000 0.919 889 S HN 0.611 nan 8.310 nan 0.000 0.515 890 D N 1.793 122.206 120.400 0.023 0.000 2.322 890 D HA -0.150 4.490 4.640 -0.000 0.000 0.210 890 D C 1.908 178.261 176.300 0.088 0.000 0.983 890 D CA 1.454 55.455 54.000 0.002 0.000 0.902 890 D CB -0.219 40.559 40.800 -0.037 0.000 0.905 890 D HN 0.748 nan 8.370 nan 0.000 0.483 891 A N 0.855 123.726 122.820 0.084 0.000 1.854 891 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 891 A C 2.333 179.988 177.584 0.118 0.000 1.192 891 A CA 1.811 53.903 52.037 0.093 0.000 0.611 891 A CB -0.556 18.482 19.000 0.064 0.000 0.832 891 A HN 0.233 nan 8.150 nan 0.000 0.442 892 A N -1.285 121.606 122.820 0.118 0.000 1.897 892 A HA 0.030 4.350 4.320 -0.000 0.000 0.215 892 A C 2.054 179.728 177.584 0.150 0.000 1.181 892 A CA 1.345 53.448 52.037 0.110 0.000 0.620 892 A CB -0.801 18.253 19.000 0.090 0.000 0.821 892 A HN 0.678 nan 8.150 nan 0.000 0.443 893 F N 0.880 120.828 119.950 -0.003 0.000 2.115 893 F HA -0.289 4.237 4.527 -0.000 0.000 0.300 893 F C 2.206 178.003 175.800 -0.004 0.000 1.092 893 F CA 2.470 60.413 58.000 -0.094 0.000 1.245 893 F CB -0.062 38.837 39.000 -0.169 0.000 0.995 893 F HN 0.426 nan 8.300 nan 0.000 0.481 894 E N 0.440 120.888 120.200 0.413 0.000 2.047 894 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 894 E C 1.993 178.689 176.600 0.161 0.000 0.987 894 E CA 1.041 57.666 56.400 0.376 0.000 0.799 894 E CB -0.280 29.601 29.700 0.302 0.000 0.752 894 E HN 0.369 nan 8.360 nan 0.000 0.449 895 K N 0.271 120.725 120.400 0.090 0.000 2.633 895 K HA -0.148 4.172 4.320 -0.000 0.000 0.193 895 K C 1.786 178.390 176.600 0.006 0.000 1.033 895 K CA 0.572 56.864 56.287 0.007 0.000 0.980 895 K CB 0.128 32.635 32.500 0.012 0.000 0.800 895 K HN -0.019 nan 8.250 nan 0.000 0.493 896 R N -1.388 119.151 120.500 0.065 0.000 2.306 896 R HA 0.053 4.393 4.340 -0.000 0.000 0.183 896 R C 0.799 177.133 176.300 0.058 0.000 0.937 896 R CA 0.120 56.262 56.100 0.070 0.000 1.118 896 R CB 0.277 30.695 30.300 0.198 0.000 1.224 896 R HN 0.135 nan 8.270 nan 0.000 0.597 897 Y N 0.337 120.460 120.300 -0.296 0.000 2.458 897 Y HA 0.350 4.900 4.550 -0.000 0.000 0.256 897 Y C 0.237 176.152 175.900 0.025 0.000 1.159 897 Y CA -0.464 57.478 58.100 -0.264 0.000 1.261 897 Y CB -0.045 38.064 38.460 -0.585 0.000 1.119 897 Y HN -0.160 nan 8.280 nan 0.000 0.524 898 R N 1.264 121.974 120.500 0.350 0.000 2.267 898 R HA 0.484 4.824 4.340 -0.000 0.000 0.319 898 R C -1.470 174.893 176.300 0.104 0.000 1.067 898 R CA -0.293 56.029 56.100 0.370 0.000 0.936 898 R CB 0.139 30.585 30.300 0.243 0.000 1.006 898 R HN -0.073 nan 8.270 nan 0.000 0.452 899 V N 5.182 125.157 119.914 0.102 0.000 2.483 899 V HA 0.303 4.423 4.120 -0.000 0.000 0.297 899 V C -0.951 175.161 176.094 0.029 0.000 1.027 899 V CA -0.789 61.534 62.300 0.039 0.000 0.855 899 V CB 1.806 33.648 31.823 0.031 0.000 0.995 899 V HN 0.732 nan 8.190 nan 0.000 0.424 900 D N 4.429 124.852 120.400 0.038 0.000 2.471 900 D HA 0.368 5.008 4.640 -0.000 0.000 0.245 900 D C 0.670 176.991 176.300 0.035 0.000 1.116 900 D CA -0.369 53.654 54.000 0.038 0.000 0.853 900 D CB 2.009 42.855 40.800 0.077 0.000 1.123 900 D HN 0.407 nan 8.370 nan 0.000 0.540 901 L N 2.952 124.184 121.223 0.015 0.000 2.478 901 L HA 0.075 4.415 4.340 -0.000 0.000 0.223 901 L C 0.970 177.844 176.870 0.006 0.000 1.140 901 L CA 0.622 55.467 54.840 0.009 0.000 0.842 901 L CB -0.006 42.054 42.059 0.001 0.000 0.953 901 L HN 0.321 nan 8.230 nan 0.000 0.452 902 L N 0.376 121.602 121.223 0.004 0.000 2.701 902 L HA 0.351 4.691 4.340 -0.000 0.000 0.237 902 L C -0.437 176.427 176.870 -0.010 0.000 1.204 902 L CA -0.014 54.823 54.840 -0.006 0.000 1.109 902 L CB -0.333 41.719 42.059 -0.012 0.000 1.409 902 L HN 0.186 nan 8.230 nan 0.000 0.428 903 N N -0.606 118.094 118.700 -0.001 0.000 4.430 903 N HA -0.022 4.718 4.740 -0.000 0.000 0.181 903 N C 0.525 176.043 175.510 0.012 0.000 1.061 903 N CA -0.084 52.959 53.050 -0.011 0.000 1.089 903 N CB 1.083 39.550 38.487 -0.032 0.000 1.586 903 N HN 0.080 nan 8.380 nan 0.000 0.881 904 T N 0.765 115.318 114.554 -0.001 0.000 2.760 904 T HA -0.153 4.196 4.350 -0.000 0.000 0.269 904 T C 0.551 175.273 174.700 0.037 0.000 1.047 904 T CA 1.336 63.442 62.100 0.011 0.000 1.139 904 T CB -0.115 68.753 68.868 -0.000 0.000 0.855 904 T HN 0.550 nan 8.240 nan 0.000 0.471 905 D N -0.491 119.941 120.400 0.053 0.000 2.369 905 D HA 0.063 4.702 4.640 -0.000 0.000 0.211 905 D C 0.506 177.048 176.300 0.405 0.000 1.077 905 D CA 0.386 54.475 54.000 0.149 0.000 0.842 905 D CB 0.267 41.128 40.800 0.102 0.000 0.947 905 D HN 0.403 nan 8.370 nan 0.000 0.509 906 H N -0.806 118.257 119.070 -0.012 0.000 2.750 906 H HA 0.288 4.844 4.556 -0.000 0.000 0.252 906 H C -0.286 175.034 175.328 -0.013 0.000 1.176 906 H CA -0.189 55.852 56.048 -0.012 0.000 0.987 906 H CB 0.513 30.264 29.762 -0.018 0.000 1.810 906 H HN -0.189 nan 8.280 nan 0.000 0.630 907 T N 0.837 115.441 114.554 0.082 0.000 2.940 907 T HA 0.434 4.784 4.350 -0.000 0.000 0.288 907 T C 0.241 174.946 174.700 0.008 0.000 1.033 907 T CA -0.828 61.292 62.100 0.034 0.000 1.033 907 T CB 1.429 70.311 68.868 0.025 0.000 1.079 907 T HN 0.098 nan 8.240 nan 0.000 0.496 908 L N 2.618 123.837 121.223 -0.006 0.000 2.500 908 L HA 0.179 4.518 4.340 -0.000 0.000 0.272 908 L C 0.884 177.746 176.870 -0.013 0.000 1.149 908 L CA -0.443 54.385 54.840 -0.019 0.000 0.897 908 L CB -0.062 41.980 42.059 -0.028 0.000 1.178 908 L HN 0.594 nan 8.230 nan 0.000 0.473 909 D N 7.224 127.616 120.400 -0.013 0.000 2.434 909 D HA -0.002 4.638 4.640 -0.000 0.000 0.252 909 D C -1.119 175.175 176.300 -0.010 0.000 1.185 909 D CA -1.335 52.660 54.000 -0.008 0.000 0.886 909 D CB 1.449 42.245 40.800 -0.008 0.000 1.148 909 D HN 0.359 nan 8.370 nan 0.000 0.483 910 P HA -0.219 nan 4.420 nan 0.000 0.219 910 P C 1.003 178.300 177.300 -0.006 0.000 1.145 910 P CA 0.978 64.074 63.100 -0.008 0.000 0.813 910 P CB -0.038 31.659 31.700 -0.005 0.000 0.771 911 S N -2.025 113.673 115.700 -0.004 0.000 2.595 911 S HA -0.002 4.468 4.470 -0.000 0.000 0.235 911 S C 1.711 176.312 174.600 0.001 0.000 0.974 911 S CA 0.404 58.604 58.200 0.000 0.000 0.942 911 S CB -1.002 62.200 63.200 0.002 0.000 0.766 911 S HN 0.166 nan 8.310 nan 0.000 0.536 912 L N -0.931 120.288 121.223 -0.007 0.000 2.590 912 L HA 0.459 4.799 4.340 -0.000 0.000 0.181 912 L C 0.706 177.567 176.870 -0.015 0.000 1.134 912 L CA -0.284 54.551 54.840 -0.009 0.000 0.850 912 L CB -0.492 41.554 42.059 -0.021 0.000 1.172 912 L HN 0.314 nan 8.230 nan 0.000 0.498 913 L N 0.573 121.782 121.223 -0.022 0.000 2.421 913 L HA 0.144 4.484 4.340 -0.000 0.000 0.263 913 L C 1.050 177.908 176.870 -0.020 0.000 1.122 913 L CA 0.549 55.371 54.840 -0.029 0.000 0.804 913 L CB 0.985 43.022 42.059 -0.037 0.000 1.150 913 L HN 0.166 nan 8.230 nan 0.000 0.457 914 E N 0.359 120.546 120.200 -0.022 0.000 2.033 914 E HA -0.092 4.258 4.350 -0.000 0.000 0.189 914 E C 0.863 177.454 176.600 -0.016 0.000 0.979 914 E CA 1.081 57.471 56.400 -0.016 0.000 0.802 914 E CB 0.127 29.817 29.700 -0.016 0.000 0.763 914 E HN 0.797 nan 8.360 nan 0.000 0.449 915 S N -0.430 115.257 115.700 -0.021 0.000 2.815 915 S HA 0.221 4.691 4.470 -0.000 0.000 0.254 915 S C 1.157 175.746 174.600 -0.019 0.000 1.197 915 S CA -0.136 58.053 58.200 -0.019 0.000 1.216 915 S CB 0.599 63.786 63.200 -0.022 0.000 0.871 915 S HN 0.316 nan 8.310 nan 0.000 0.473 916 G N 2.710 111.500 108.800 -0.017 0.000 2.424 916 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.214 916 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.214 916 G C 1.668 176.561 174.900 -0.011 0.000 1.202 916 G CA 0.776 45.866 45.100 -0.016 0.000 0.793 916 G HN 0.763 nan 8.290 nan 0.000 0.534 917 S N 1.446 117.140 115.700 -0.009 0.000 2.402 917 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 917 S C 1.828 176.424 174.600 -0.007 0.000 1.021 917 S CA 1.497 59.693 58.200 -0.006 0.000 0.974 917 S CB -0.348 62.849 63.200 -0.005 0.000 0.800 917 S HN 0.711 nan 8.310 nan 0.000 0.484 918 E N 0.538 120.733 120.200 -0.008 0.000 2.365 918 E HA 0.288 4.638 4.350 -0.000 0.000 0.188 918 E C 1.145 177.739 176.600 -0.010 0.000 1.102 918 E CA 0.075 56.470 56.400 -0.008 0.000 0.927 918 E CB -0.311 29.384 29.700 -0.009 0.000 1.073 918 E HN 0.595 nan 8.360 nan 0.000 0.467 919 I N -0.056 120.508 120.570 -0.010 0.000 3.570 919 I HA 0.032 4.202 4.170 -0.000 0.000 0.270 919 I C 1.042 177.155 176.117 -0.008 0.000 1.162 919 I CA -0.514 60.779 61.300 -0.011 0.000 1.413 919 I CB 0.370 38.361 38.000 -0.014 0.000 1.437 919 I HN 0.207 nan 8.210 nan 0.000 0.457 920 L N 3.095 124.315 121.223 -0.006 0.000 3.251 920 L HA -0.192 4.148 4.340 -0.000 0.000 0.310 920 L C 0.762 177.629 176.870 -0.004 0.000 1.016 920 L CA 1.226 56.064 54.840 -0.003 0.000 1.151 920 L CB -0.743 41.315 42.059 -0.002 0.000 1.626 920 L HN 0.656 nan 8.230 nan 0.000 0.401 921 G N 2.325 111.122 108.800 -0.005 0.000 3.033 921 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.196 921 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.196 921 G C 0.142 175.038 174.900 -0.006 0.000 1.078 921 G CA -0.013 45.084 45.100 -0.006 0.000 0.805 921 G HN 0.637 nan 8.290 nan 0.000 0.472 922 D N 1.344 121.740 120.400 -0.007 0.000 2.662 922 D HA 0.052 4.692 4.640 -0.000 0.000 0.233 922 D C 1.468 177.764 176.300 -0.006 0.000 1.129 922 D CA 0.395 54.391 54.000 -0.007 0.000 0.851 922 D CB 0.518 41.313 40.800 -0.008 0.000 1.152 922 D HN 0.258 nan 8.370 nan 0.000 0.507 923 L N 3.898 125.117 121.223 -0.006 0.000 2.477 923 L HA 0.010 4.350 4.340 -0.000 0.000 0.220 923 L C 2.256 179.124 176.870 -0.004 0.000 1.106 923 L CA 0.234 55.071 54.840 -0.005 0.000 0.851 923 L CB 0.110 42.166 42.059 -0.006 0.000 0.994 923 L HN 0.354 nan 8.230 nan 0.000 0.462 924 K N -0.169 120.228 120.400 -0.004 0.000 2.296 924 K HA -0.007 4.313 4.320 -0.000 0.000 0.200 924 K C 1.836 178.435 176.600 -0.003 0.000 1.048 924 K CA 0.765 57.050 56.287 -0.004 0.000 0.966 924 K CB 0.256 32.753 32.500 -0.004 0.000 0.754 924 K HN 0.305 nan 8.250 nan 0.000 0.466 925 L N 0.414 121.635 121.223 -0.004 0.000 2.249 925 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 925 L C 1.951 178.822 176.870 0.001 0.000 1.090 925 L CA 0.501 55.338 54.840 -0.004 0.000 0.802 925 L CB -0.213 41.841 42.059 -0.008 0.000 0.947 925 L HN 0.118 nan 8.230 nan 0.000 0.453 926 Q N 0.146 119.947 119.800 0.001 0.000 2.557 926 Q HA -0.041 4.299 4.340 -0.000 0.000 0.217 926 Q C 1.918 177.923 176.000 0.008 0.000 0.978 926 Q CA 0.575 56.380 55.803 0.004 0.000 0.950 926 Q CB 0.180 28.917 28.738 -0.001 0.000 0.991 926 Q HN 0.362 nan 8.270 nan 0.000 0.533 927 V N -0.533 119.385 119.914 0.007 0.000 2.575 927 V HA -0.118 4.002 4.120 -0.000 0.000 0.242 927 V C 2.068 178.173 176.094 0.017 0.000 1.045 927 V CA 0.815 63.121 62.300 0.010 0.000 1.065 927 V CB -0.119 31.707 31.823 0.005 0.000 0.717 927 V HN 0.244 nan 8.190 nan 0.000 0.467 928 L N -0.882 120.350 121.223 0.014 0.000 2.013 928 L HA -0.045 4.294 4.340 -0.000 0.000 0.204 928 L C 2.407 179.297 176.870 0.032 0.000 1.081 928 L CA 0.799 55.650 54.840 0.018 0.000 0.751 928 L CB -0.732 41.331 42.059 0.007 0.000 0.901 928 L HN 0.227 nan 8.230 nan 0.000 0.440 929 L N 0.338 121.578 121.223 0.027 0.000 2.198 929 L HA -0.330 4.010 4.340 -0.000 0.000 0.218 929 L C 2.014 178.933 176.870 0.082 0.000 1.084 929 L CA 2.012 56.878 54.840 0.044 0.000 0.779 929 L CB -1.017 41.058 42.059 0.028 0.000 0.890 929 L HN 0.408 nan 8.230 nan 0.000 0.439 930 D N -1.099 119.341 120.400 0.068 0.000 2.201 930 D HA -0.096 4.544 4.640 -0.000 0.000 0.209 930 D C 1.990 178.360 176.300 0.116 0.000 0.961 930 D CA 0.523 54.579 54.000 0.093 0.000 0.861 930 D CB 0.157 40.984 40.800 0.045 0.000 0.997 930 D HN 0.406 nan 8.370 nan 0.000 0.486 931 E N 0.931 121.175 120.200 0.073 0.000 2.187 931 E HA -0.240 4.109 4.350 -0.000 0.000 0.199 931 E C 1.883 178.527 176.600 0.074 0.000 1.004 931 E CA 1.058 57.495 56.400 0.061 0.000 0.813 931 E CB 0.062 29.782 29.700 0.034 0.000 0.736 931 E HN 0.403 nan 8.360 nan 0.000 0.468 932 E N 0.023 120.274 120.200 0.085 0.000 2.015 932 E HA -0.238 4.112 4.350 -0.000 0.000 0.191 932 E C 1.978 178.649 176.600 0.118 0.000 0.991 932 E CA 0.988 57.436 56.400 0.081 0.000 0.802 932 E CB -0.309 29.437 29.700 0.076 0.000 0.759 932 E HN 0.298 nan 8.360 nan 0.000 0.447 933 Y N 1.409 121.750 120.300 0.068 0.000 2.053 933 Y HA -0.226 4.324 4.550 -0.000 0.000 0.277 933 Y C 2.159 178.121 175.900 0.103 0.000 1.159 933 Y CA 2.291 60.456 58.100 0.107 0.000 1.125 933 Y CB -0.001 38.519 38.460 0.100 0.000 0.969 933 Y HN -0.033 nan 8.280 nan 0.000 0.492 934 K N -0.378 120.207 120.400 0.307 0.000 2.442 934 K HA -0.270 4.050 4.320 -0.000 0.000 0.200 934 K C 1.876 178.528 176.600 0.087 0.000 1.045 934 K CA 1.361 57.761 56.287 0.189 0.000 0.937 934 K CB -0.102 32.473 32.500 0.126 0.000 0.757 934 K HN 0.358 nan 8.250 nan 0.000 0.474 935 Q N 0.724 120.561 119.800 0.061 0.000 2.159 935 Q HA 0.053 4.393 4.340 -0.000 0.000 0.194 935 Q C 1.785 177.785 176.000 0.001 0.000 0.968 935 Q CA 0.862 56.676 55.803 0.017 0.000 0.837 935 Q CB 0.005 28.747 28.738 0.006 0.000 0.920 935 Q HN 0.212 nan 8.270 nan 0.000 0.485 936 L N -0.106 121.114 121.223 -0.005 0.000 2.189 936 L HA -0.159 4.180 4.340 -0.000 0.000 0.214 936 L C 2.118 179.021 176.870 0.054 0.000 1.097 936 L CA 0.728 55.584 54.840 0.026 0.000 0.764 936 L CB -0.855 41.203 42.059 -0.002 0.000 0.900 936 L HN 0.086 nan 8.230 nan 0.000 0.436 937 V N 0.276 120.178 119.914 -0.019 0.000 2.249 937 V HA -0.240 3.880 4.120 -0.000 0.000 0.239 937 V C 2.642 178.704 176.094 -0.053 0.000 1.038 937 V CA 1.752 63.993 62.300 -0.097 0.000 1.005 937 V CB -0.458 31.345 31.823 -0.032 0.000 0.646 937 V HN 0.420 nan 8.190 nan 0.000 0.455 938 K N -0.288 120.107 120.400 -0.009 0.000 2.242 938 K HA -0.307 4.013 4.320 -0.000 0.000 0.206 938 K C 1.629 178.249 176.600 0.034 0.000 1.045 938 K CA 2.284 58.577 56.287 0.011 0.000 0.930 938 K CB -0.251 32.257 32.500 0.014 0.000 0.726 938 K HN 0.505 nan 8.250 nan 0.000 0.462 939 D N -0.095 120.314 120.400 0.015 0.000 2.077 939 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 939 D C 1.900 178.248 176.300 0.081 0.000 0.983 939 D CA 1.113 55.133 54.000 0.034 0.000 0.841 939 D CB -0.217 40.585 40.800 0.003 0.000 0.992 939 D HN 0.162 nan 8.370 nan 0.000 0.450 940 R N 0.597 121.111 120.500 0.024 0.000 2.190 940 R HA -0.239 4.101 4.340 -0.000 0.000 0.255 940 R C 1.876 178.184 176.300 0.014 0.000 1.143 940 R CA 1.817 57.913 56.100 -0.007 0.000 0.965 940 R CB 0.101 30.281 30.300 -0.200 0.000 0.889 940 R HN 0.031 nan 8.270 nan 0.000 0.448 941 K N -0.181 120.216 120.400 -0.005 0.000 2.002 941 K HA -0.178 4.141 4.320 -0.000 0.000 0.209 941 K C 1.929 178.542 176.600 0.020 0.000 1.048 941 K CA 1.650 57.933 56.287 -0.007 0.000 0.930 941 K CB -0.890 31.598 32.500 -0.021 0.000 0.714 941 K HN 0.250 nan 8.250 nan 0.000 0.438 942 F N 2.379 122.285 119.950 -0.072 0.000 2.063 942 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 942 F C 2.070 177.801 175.800 -0.116 0.000 1.109 942 F CA 1.558 59.503 58.000 -0.092 0.000 1.212 942 F CB -0.324 38.622 39.000 -0.090 0.000 0.973 942 F HN -0.101 nan 8.300 nan 0.000 0.480 943 L N 0.073 121.444 121.223 0.245 0.000 1.989 943 L HA -0.258 4.082 4.340 -0.000 0.000 0.211 943 L C 2.595 179.448 176.870 -0.029 0.000 1.071 943 L CA 1.821 56.730 54.840 0.116 0.000 0.749 943 L CB -0.878 41.304 42.059 0.205 0.000 0.890 943 L HN 0.106 nan 8.230 nan 0.000 0.431 944 R N -0.040 120.479 120.500 0.032 0.000 2.303 944 R HA -0.159 4.180 4.340 -0.000 0.000 0.225 944 R C 1.775 178.049 176.300 -0.043 0.000 1.114 944 R CA 0.843 56.982 56.100 0.065 0.000 1.007 944 R CB -0.152 30.221 30.300 0.123 0.000 0.861 944 R HN 0.496 nan 8.270 nan 0.000 0.471 945 E N -0.427 119.664 120.200 -0.181 0.000 2.474 945 E HA -0.013 4.337 4.350 -0.000 0.000 0.194 945 E C 1.182 177.567 176.600 -0.359 0.000 1.041 945 E CA 0.120 56.364 56.400 -0.259 0.000 0.874 945 E CB 0.635 30.134 29.700 -0.335 0.000 0.914 945 E HN 0.077 nan 8.360 nan 0.000 0.498 946 V N -0.410 119.242 119.914 -0.437 0.000 2.735 946 V HA 0.044 4.164 4.120 -0.000 0.000 0.234 946 V C 0.496 176.309 176.094 -0.470 0.000 1.121 946 V CA 0.472 62.418 62.300 -0.590 0.000 1.160 946 V CB 0.136 31.424 31.823 -0.891 0.000 0.908 946 V HN 0.124 nan 8.190 nan 0.000 0.495 947 F N 0.846 120.647 119.950 -0.247 0.000 2.733 947 F HA 0.199 4.726 4.527 -0.000 0.000 0.344 947 F C 1.473 177.225 175.800 -0.081 0.000 1.179 947 F CA -0.433 57.446 58.000 -0.203 0.000 1.316 947 F CB 0.034 38.900 39.000 -0.223 0.000 1.577 947 F HN -0.064 nan 8.300 nan 0.000 0.591 948 V N -0.030 119.926 119.914 0.071 0.000 2.277 948 V HA -0.398 3.722 4.120 -0.000 0.000 0.253 948 V C 2.188 178.367 176.094 0.141 0.000 1.067 948 V CA 2.067 64.424 62.300 0.095 0.000 1.047 948 V CB -0.359 31.479 31.823 0.025 0.000 0.649 948 V HN 0.585 nan 8.190 nan 0.000 0.447 949 D N -0.190 120.271 120.400 0.102 0.000 2.220 949 D HA -0.210 4.429 4.640 -0.000 0.000 0.198 949 D C 1.900 178.167 176.300 -0.055 0.000 1.001 949 D CA 2.039 56.077 54.000 0.064 0.000 0.875 949 D CB -0.158 40.689 40.800 0.079 0.000 0.921 949 D HN 0.679 nan 8.370 nan 0.000 0.454 950 G N 0.668 109.356 108.800 -0.187 0.000 2.232 950 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.226 950 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.226 950 G C 0.297 175.009 174.900 -0.313 0.000 0.996 950 G CA 0.362 45.027 45.100 -0.725 0.000 0.626 950 G HN 0.363 nan 8.290 nan 0.000 0.509 951 E N 1.100 121.250 120.200 -0.085 0.000 2.694 951 E HA 0.466 4.816 4.350 -0.000 0.000 0.250 951 E C 1.286 177.946 176.600 0.100 0.000 0.963 951 E CA 1.143 57.523 56.400 -0.033 0.000 0.949 951 E CB 0.606 30.314 29.700 0.013 0.000 0.911 951 E HN 0.832 nan 8.360 nan 0.000 0.500 952 A N 5.107 127.905 122.820 -0.035 0.000 2.140 952 A HA 0.086 4.406 4.320 -0.000 0.000 0.209 952 A C 0.158 177.745 177.584 0.005 0.000 1.181 952 A CA -0.172 51.897 52.037 0.054 0.000 0.824 952 A CB 0.111 19.119 19.000 0.014 0.000 0.879 952 A HN 0.582 nan 8.150 nan 0.000 0.480 953 N N 0.079 118.568 118.700 -0.351 0.000 2.422 953 N HA 0.381 5.121 4.740 -0.000 0.000 0.264 953 N C -1.479 173.422 175.510 -1.014 0.000 1.063 953 N CA 0.311 53.094 53.050 -0.444 0.000 0.959 953 N CB 0.580 38.837 38.487 -0.383 0.000 1.087 953 N HN 0.453 nan 8.380 nan 0.000 0.483 954 W N 1.326 122.525 121.300 -0.169 0.000 3.083 954 W HA 0.368 5.028 4.660 -0.000 0.000 0.333 954 W C -2.190 174.313 176.519 -0.026 0.000 1.217 954 W CA -1.635 55.621 57.345 -0.148 0.000 1.170 954 W CB 1.056 30.390 29.460 -0.210 0.000 1.437 954 W HN 0.282 nan 8.180 nan 0.000 0.557 955 P HA 0.267 nan 4.420 nan 0.000 0.275 955 P C -0.949 176.472 177.300 0.202 0.000 1.276 955 P CA 0.516 63.738 63.100 0.204 0.000 0.782 955 P CB 0.848 32.702 31.700 0.257 0.000 0.851 956 L N 6.146 127.462 121.223 0.154 0.000 2.464 956 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 956 L C -2.250 174.642 176.870 0.036 0.000 0.965 956 L CA -2.688 52.222 54.840 0.117 0.000 0.833 956 L CB 3.303 45.474 42.059 0.185 0.000 1.296 956 L HN 0.153 nan 8.230 nan 0.000 0.405 957 P HA 0.022 nan 4.420 nan 0.000 0.270 957 P C -0.426 176.784 177.300 -0.150 0.000 1.227 957 P CA 0.132 63.164 63.100 -0.113 0.000 0.788 957 P CB 0.791 32.350 31.700 -0.235 0.000 0.926 958 V N -1.058 118.804 119.914 -0.085 0.000 3.865 958 V HA -0.212 3.908 4.120 -0.000 0.000 0.463 958 V C 0.593 176.699 176.094 0.020 0.000 0.682 958 V CA 0.246 62.528 62.300 -0.029 0.000 1.913 958 V CB -1.968 29.861 31.823 0.010 0.000 2.326 958 V HN 0.915 nan 8.190 nan 0.000 0.496 959 N N 4.913 123.609 118.700 -0.007 0.000 2.405 959 N HA 0.255 4.995 4.740 -0.000 0.000 0.260 959 N C 0.768 176.271 175.510 -0.012 0.000 1.152 959 N CA -0.023 53.021 53.050 -0.009 0.000 0.948 959 N CB 0.908 39.359 38.487 -0.058 0.000 1.111 959 N HN 0.733 nan 8.380 nan 0.000 0.485 960 I N 3.291 123.874 120.570 0.021 0.000 3.603 960 I HA -0.018 4.152 4.170 -0.000 0.000 0.297 960 I C 1.977 178.059 176.117 -0.058 0.000 1.269 960 I CA 0.024 61.314 61.300 -0.017 0.000 1.361 960 I CB 0.137 38.151 38.000 0.025 0.000 1.063 960 I HN 0.437 nan 8.210 nan 0.000 0.448 961 R N 0.961 121.441 120.500 -0.033 0.000 2.073 961 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 961 R C 2.332 178.584 176.300 -0.079 0.000 1.134 961 R CA 1.307 57.382 56.100 -0.041 0.000 0.952 961 R CB -0.248 30.044 30.300 -0.013 0.000 0.850 961 R HN 0.331 nan 8.270 nan 0.000 0.433 962 R N 0.558 121.013 120.500 -0.074 0.000 2.057 962 R HA 0.001 4.340 4.340 -0.000 0.000 0.229 962 R C 2.413 178.654 176.300 -0.098 0.000 1.136 962 R CA 0.990 57.037 56.100 -0.088 0.000 0.952 962 R CB -0.543 29.717 30.300 -0.066 0.000 0.848 962 R HN 0.182 nan 8.270 nan 0.000 0.430 963 I N 1.096 121.604 120.570 -0.104 0.000 2.285 963 I HA -0.371 3.799 4.170 -0.000 0.000 0.253 963 I C 1.915 177.966 176.117 -0.110 0.000 1.104 963 I CA 1.533 62.748 61.300 -0.142 0.000 1.372 963 I CB 0.053 37.939 38.000 -0.190 0.000 1.057 963 I HN 0.237 nan 8.210 nan 0.000 0.431 964 I N -0.362 120.121 120.570 -0.145 0.000 2.429 964 I HA -0.237 3.933 4.170 -0.000 0.000 0.247 964 I C 2.384 178.433 176.117 -0.112 0.000 1.099 964 I CA 0.684 61.880 61.300 -0.173 0.000 1.422 964 I CB -0.249 37.506 38.000 -0.408 0.000 1.112 964 I HN 0.209 nan 8.210 nan 0.000 0.430 965 Q N 0.665 120.365 119.800 -0.167 0.000 2.173 965 Q HA -0.244 4.096 4.340 -0.000 0.000 0.208 965 Q C 1.843 177.667 176.000 -0.294 0.000 0.989 965 Q CA 1.513 57.144 55.803 -0.287 0.000 0.872 965 Q CB -0.235 28.252 28.738 -0.419 0.000 0.909 965 Q HN 0.531 nan 8.270 nan 0.000 0.420 966 N N 0.514 119.172 118.700 -0.071 0.000 2.062 966 N HA -0.107 4.633 4.740 -0.000 0.000 0.191 966 N C 1.779 177.451 175.510 0.270 0.000 1.042 966 N CA 1.316 54.458 53.050 0.152 0.000 0.845 966 N CB -0.534 38.159 38.487 0.343 0.000 1.024 966 N HN 0.220 nan 8.380 nan 0.000 0.424 967 A N 2.060 125.187 122.820 0.511 0.000 2.054 967 A HA -0.242 4.078 4.320 -0.000 0.000 0.223 967 A C 2.100 179.787 177.584 0.170 0.000 1.169 967 A CA 1.395 53.692 52.037 0.434 0.000 0.655 967 A CB -0.400 18.825 19.000 0.375 0.000 0.812 967 A HN 0.299 nan 8.150 nan 0.000 0.462 968 Q N -0.351 119.507 119.800 0.098 0.000 1.809 968 Q HA -0.221 4.119 4.340 -0.000 0.000 0.269 968 Q C 2.138 178.185 176.000 0.078 0.000 0.984 968 Q CA 1.914 57.759 55.803 0.069 0.000 0.885 968 Q CB -0.885 27.888 28.738 0.059 0.000 0.933 968 Q HN 0.985 nan 8.270 nan 0.000 0.422 969 Q N 0.044 119.896 119.800 0.087 0.000 2.491 969 Q HA 0.018 4.357 4.340 -0.000 0.000 0.214 969 Q C 1.007 176.844 176.000 -0.271 0.000 0.970 969 Q CA 1.124 56.914 55.803 -0.023 0.000 0.960 969 Q CB -0.098 28.711 28.738 0.119 0.000 0.996 969 Q HN 0.118 nan 8.270 nan 0.000 0.524 970 T N -0.589 113.867 114.554 -0.165 0.000 3.057 970 T HA 0.145 4.495 4.350 -0.000 0.000 0.254 970 T C -0.184 174.107 174.700 -0.683 0.000 1.094 970 T CA 0.399 62.246 62.100 -0.422 0.000 1.088 970 T CB 0.039 68.630 68.868 -0.462 0.000 0.934 970 T HN 0.387 nan 8.240 nan 0.000 0.497 971 F N 0.096 119.822 119.950 -0.374 0.000 2.729 971 F HA 0.344 4.871 4.527 -0.000 0.000 0.315 971 F C 0.563 176.309 175.800 -0.089 0.000 1.102 971 F CA -0.997 56.874 58.000 -0.215 0.000 1.204 971 F CB -0.142 38.760 39.000 -0.163 0.000 1.052 971 F HN 0.137 nan 8.300 nan 0.000 0.551 972 H N 0.211 119.332 119.070 0.084 0.000 2.655 972 H HA -0.179 4.377 4.556 -0.000 0.000 0.313 972 H C 0.703 176.045 175.328 0.022 0.000 1.141 972 H CA 0.464 56.534 56.048 0.037 0.000 1.138 972 H CB -1.669 28.096 29.762 0.006 0.000 1.446 972 H HN 0.279 nan 8.280 nan 0.000 0.415 973 I N 2.466 123.082 120.570 0.076 0.000 2.815 973 I HA -0.121 4.049 4.170 -0.000 0.000 0.291 973 I C 1.037 177.091 176.117 -0.104 0.000 1.209 973 I CA 0.770 62.068 61.300 -0.003 0.000 1.431 973 I CB 0.421 38.398 38.000 -0.039 0.000 1.351 973 I HN 0.205 nan 8.210 nan 0.000 0.585 974 D N 5.694 126.039 120.400 -0.091 0.000 2.278 974 D HA 0.130 4.770 4.640 -0.000 0.000 0.245 974 D C 0.305 176.541 176.300 -0.106 0.000 1.052 974 D CA -0.560 53.374 54.000 -0.110 0.000 0.834 974 D CB 0.987 41.779 40.800 -0.014 0.000 1.194 974 D HN 0.447 nan 8.370 nan 0.000 0.481 975 H N 1.200 120.303 119.070 0.055 0.000 2.574 975 H HA 0.010 4.566 4.556 -0.000 0.000 0.277 975 H C 1.367 176.713 175.328 0.029 0.000 1.058 975 H CA 0.834 56.908 56.048 0.042 0.000 1.171 975 H CB -0.181 29.607 29.762 0.044 0.000 1.304 975 H HN 0.661 nan 8.280 nan 0.000 0.620 976 T N -2.573 112.042 114.554 0.103 0.000 3.146 976 T HA 0.084 4.433 4.350 -0.000 0.000 0.235 976 T C 0.966 175.694 174.700 0.047 0.000 0.985 976 T CA -0.306 61.836 62.100 0.069 0.000 1.265 976 T CB 0.609 69.507 68.868 0.050 0.000 0.946 976 T HN 0.017 nan 8.240 nan 0.000 0.418 977 K N 3.379 123.799 120.400 0.034 0.000 2.295 977 K HA 0.328 4.648 4.320 -0.000 0.000 0.270 977 K C -2.329 174.285 176.600 0.024 0.000 1.011 977 K CA -1.678 54.623 56.287 0.024 0.000 0.953 977 K CB 0.276 32.787 32.500 0.018 0.000 0.956 977 K HN 0.380 nan 8.250 nan 0.000 0.477 978 P HA -0.038 nan 4.420 nan 0.000 0.272 978 P C 0.023 177.326 177.300 0.004 0.000 1.230 978 P CA -0.215 62.891 63.100 0.010 0.000 0.788 978 P CB 1.273 32.974 31.700 0.003 0.000 0.949 979 S N 0.502 116.200 115.700 -0.003 0.000 2.592 979 S HA 0.005 4.474 4.470 -0.000 0.000 0.247 979 S C 0.662 175.251 174.600 -0.019 0.000 1.322 979 S CA 0.901 59.093 58.200 -0.013 0.000 0.973 979 S CB -0.364 62.819 63.200 -0.028 0.000 0.971 979 S HN 0.721 nan 8.310 nan 0.000 0.545 980 D N -0.574 119.807 120.400 -0.032 0.000 2.742 980 D HA 0.112 4.752 4.640 -0.000 0.000 0.302 980 D C -0.664 175.606 176.300 -0.051 0.000 1.588 980 D CA -0.190 53.792 54.000 -0.031 0.000 0.873 980 D CB -1.082 39.708 40.800 -0.016 0.000 1.418 980 D HN 0.326 nan 8.370 nan 0.000 0.420 981 L N 1.583 122.758 121.223 -0.081 0.000 2.326 981 L HA 0.341 4.681 4.340 -0.000 0.000 0.278 981 L C 0.591 177.393 176.870 -0.113 0.000 1.092 981 L CA 0.035 54.798 54.840 -0.128 0.000 0.810 981 L CB 1.403 43.330 42.059 -0.221 0.000 1.153 981 L HN -0.190 nan 8.230 nan 0.000 0.439 982 T N 3.234 117.724 114.554 -0.105 0.000 2.907 982 T HA 0.231 4.581 4.350 -0.000 0.000 0.298 982 T C 1.621 176.256 174.700 -0.108 0.000 1.017 982 T CA -0.311 61.740 62.100 -0.082 0.000 1.118 982 T CB 0.980 69.813 68.868 -0.059 0.000 0.948 982 T HN 0.425 nan 8.240 nan 0.000 0.531 983 I N 1.647 122.166 120.570 -0.085 0.000 2.850 983 I HA -0.118 4.052 4.170 -0.000 0.000 0.266 983 I C 2.478 178.548 176.117 -0.079 0.000 1.257 983 I CA 1.083 62.330 61.300 -0.089 0.000 1.465 983 I CB -0.177 37.788 38.000 -0.059 0.000 1.091 983 I HN 0.667 nan 8.210 nan 0.000 0.467 984 K N 0.595 120.956 120.400 -0.064 0.000 2.116 984 K HA -0.142 4.178 4.320 -0.000 0.000 0.203 984 K C 1.564 178.128 176.600 -0.060 0.000 1.052 984 K CA 1.030 57.290 56.287 -0.046 0.000 0.952 984 K CB 0.046 32.527 32.500 -0.032 0.000 0.729 984 K HN 0.209 nan 8.250 nan 0.000 0.446 985 D N 1.209 121.555 120.400 -0.091 0.000 2.108 985 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 985 D C 1.927 178.125 176.300 -0.172 0.000 0.995 985 D CA 1.260 55.190 54.000 -0.117 0.000 0.834 985 D CB -0.303 40.394 40.800 -0.172 0.000 0.967 985 D HN 0.153 nan 8.370 nan 0.000 0.446 986 I N 0.573 120.950 120.570 -0.322 0.000 2.032 986 I HA -0.289 3.881 4.170 -0.000 0.000 0.231 986 I C 2.609 178.694 176.117 -0.052 0.000 1.035 986 I CA 0.911 61.980 61.300 -0.385 0.000 1.312 986 I CB -0.683 37.103 38.000 -0.356 0.000 1.041 986 I HN -0.095 nan 8.210 nan 0.000 0.390 987 V N 1.125 121.012 119.914 -0.046 0.000 2.250 987 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 987 V C 2.397 178.501 176.094 0.018 0.000 1.060 987 V CA 1.979 64.279 62.300 0.001 0.000 1.030 987 V CB -0.635 31.184 31.823 -0.008 0.000 0.643 987 V HN 0.394 nan 8.190 nan 0.000 0.445 988 L N -0.095 121.132 121.223 0.007 0.000 2.362 988 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 988 L C 2.302 179.195 176.870 0.038 0.000 1.134 988 L CA 1.194 56.043 54.840 0.015 0.000 0.807 988 L CB -0.683 41.379 42.059 0.005 0.000 0.927 988 L HN 0.498 nan 8.230 nan 0.000 0.447 989 G N -1.098 107.752 108.800 0.084 0.000 2.471 989 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.211 989 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.211 989 G C 1.419 176.377 174.900 0.097 0.000 1.194 989 G CA 0.390 45.569 45.100 0.133 0.000 0.816 989 G HN 0.102 nan 8.290 nan 0.000 0.545 990 V N 1.057 121.060 119.914 0.148 0.000 2.764 990 V HA -0.196 3.924 4.120 -0.000 0.000 0.261 990 V C 2.574 178.656 176.094 -0.019 0.000 1.108 990 V CA 2.229 64.559 62.300 0.051 0.000 1.129 990 V CB -0.420 31.453 31.823 0.085 0.000 0.701 990 V HN 0.406 nan 8.190 nan 0.000 0.495 991 K N -0.395 120.004 120.400 -0.002 0.000 2.137 991 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 991 K C 1.822 178.400 176.600 -0.035 0.000 1.052 991 K CA 1.059 57.329 56.287 -0.027 0.000 0.961 991 K CB -0.040 32.452 32.500 -0.013 0.000 0.741 991 K HN 0.401 nan 8.250 nan 0.000 0.452 992 D N 0.847 121.236 120.400 -0.018 0.000 2.224 992 D HA -0.128 4.512 4.640 -0.000 0.000 0.205 992 D C 1.843 178.116 176.300 -0.045 0.000 0.965 992 D CA 0.494 54.480 54.000 -0.023 0.000 0.852 992 D CB 0.111 40.909 40.800 -0.004 0.000 0.947 992 D HN 0.127 nan 8.370 nan 0.000 0.494 993 L N 1.682 122.868 121.223 -0.062 0.000 1.956 993 L HA -0.250 4.090 4.340 -0.000 0.000 0.216 993 L C 2.100 178.895 176.870 -0.125 0.000 1.073 993 L CA 1.913 56.694 54.840 -0.099 0.000 0.762 993 L CB -0.969 41.009 42.059 -0.135 0.000 0.889 993 L HN -0.041 nan 8.230 nan 0.000 0.433 994 Q N -0.741 118.969 119.800 -0.150 0.000 2.197 994 Q HA -0.228 4.111 4.340 -0.000 0.000 0.207 994 Q C 1.997 177.928 176.000 -0.116 0.000 0.984 994 Q CA 1.476 57.175 55.803 -0.174 0.000 0.869 994 Q CB -0.351 28.284 28.738 -0.173 0.000 0.906 994 Q HN 0.555 nan 8.270 nan 0.000 0.426 995 E N 0.464 120.616 120.200 -0.079 0.000 2.331 995 E HA -0.114 4.235 4.350 -0.000 0.000 0.199 995 E C 0.915 177.492 176.600 -0.038 0.000 1.008 995 E CA 0.707 57.077 56.400 -0.050 0.000 0.843 995 E CB 0.039 29.718 29.700 -0.035 0.000 0.761 995 E HN 0.391 nan 8.360 nan 0.000 0.507 996 N N -0.396 118.274 118.700 -0.049 0.000 2.184 996 N HA 0.068 4.808 4.740 -0.000 0.000 0.206 996 N C 0.656 176.161 175.510 -0.008 0.000 1.151 996 N CA -0.004 53.032 53.050 -0.023 0.000 0.878 996 N CB 0.621 39.097 38.487 -0.018 0.000 1.014 996 N HN 0.134 nan 8.380 nan 0.000 0.512 997 L N 1.800 122.972 121.223 -0.085 0.000 2.912 997 L HA 0.168 4.508 4.340 -0.000 0.000 0.246 997 L C -0.281 176.685 176.870 0.159 0.000 1.371 997 L CA -0.232 54.524 54.840 -0.140 0.000 1.196 997 L CB -1.065 40.524 42.059 -0.784 0.000 1.596 997 L HN -0.124 nan 8.230 nan 0.000 0.429 998 L N -0.079 121.234 121.223 0.150 0.000 2.540 998 L HA -0.064 4.276 4.340 -0.000 0.000 0.276 998 L C 1.182 178.179 176.870 0.212 0.000 1.212 998 L CA 0.612 55.541 54.840 0.147 0.000 0.893 998 L CB 0.583 42.691 42.059 0.081 0.000 1.138 998 L HN 0.023 nan 8.230 nan 0.000 0.491 999 V N 3.274 123.295 119.914 0.179 0.000 3.151 999 V HA 0.232 4.352 4.120 -0.000 0.000 0.241 999 V C 0.603 176.745 176.094 0.080 0.000 1.173 999 V CA 0.297 62.675 62.300 0.130 0.000 1.154 999 V CB 0.365 32.278 31.823 0.151 0.000 0.898 999 V HN 0.479 nan 8.190 nan 0.000 0.473 1000 L N -0.753 120.518 121.223 0.081 0.000 2.304 1000 L HA 0.504 4.844 4.340 -0.000 0.000 0.268 1000 L C 0.990 177.892 176.870 0.052 0.000 1.010 1000 L CA -0.305 54.575 54.840 0.066 0.000 0.813 1000 L CB 2.162 44.263 42.059 0.070 0.000 1.315 1000 L HN -0.027 nan 8.230 nan 0.000 0.445 1001 R N -0.101 120.425 120.500 0.043 0.000 2.470 1001 R HA 0.198 4.538 4.340 -0.000 0.000 0.210 1001 R C 0.538 176.853 176.300 0.025 0.000 0.873 1001 R CA 0.198 56.316 56.100 0.030 0.000 1.015 1001 R CB 0.506 30.817 30.300 0.019 0.000 1.348 1001 R HN 0.806 nan 8.270 nan 0.000 0.650 1002 G N 1.688 110.506 108.800 0.029 0.000 2.983 1002 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.234 1002 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.234 1002 G C 0.295 175.205 174.900 0.018 0.000 0.734 1002 G CA 0.418 45.533 45.100 0.025 0.000 1.049 1002 G HN 0.150 nan 8.290 nan 0.000 0.348 1003 K N 0.329 120.738 120.400 0.015 0.000 2.393 1003 K HA 0.072 4.392 4.320 -0.000 0.000 0.193 1003 K C 1.147 177.753 176.600 0.010 0.000 1.026 1003 K CA 0.615 56.908 56.287 0.011 0.000 1.064 1003 K CB 0.002 32.508 32.500 0.009 0.000 0.833 1003 K HN 0.796 nan 8.250 nan 0.000 0.521 1004 N N -1.616 117.092 118.700 0.013 0.000 2.592 1004 N HA 0.092 4.831 4.740 -0.000 0.000 0.292 1004 N C 0.720 176.235 175.510 0.008 0.000 1.260 1004 N CA -0.601 52.455 53.050 0.010 0.000 0.910 1004 N CB 0.849 39.343 38.487 0.012 0.000 1.257 1004 N HN -0.160 nan 8.380 nan 0.000 0.569 1005 E N 0.327 120.530 120.200 0.005 0.000 1.999 1005 E HA -0.049 4.301 4.350 -0.000 0.000 0.194 1005 E C 1.480 178.080 176.600 -0.000 0.000 0.995 1005 E CA 1.645 58.045 56.400 0.001 0.000 0.825 1005 E CB -0.556 29.143 29.700 -0.002 0.000 0.777 1005 E HN 0.633 nan 8.360 nan 0.000 0.459 1006 I N 0.726 121.294 120.570 -0.002 0.000 2.267 1006 I HA -0.418 3.752 4.170 -0.000 0.000 0.239 1006 I C 2.185 178.299 176.117 -0.005 0.000 0.984 1006 I CA 1.664 62.959 61.300 -0.009 0.000 1.272 1006 I CB -0.650 37.348 38.000 -0.004 0.000 0.976 1006 I HN 0.327 nan 8.210 nan 0.000 0.407 1007 I N -0.302 120.274 120.570 0.010 0.000 2.162 1007 I HA -0.221 3.949 4.170 -0.000 0.000 0.238 1007 I C 2.432 178.560 176.117 0.018 0.000 1.076 1007 I CA 1.415 62.727 61.300 0.021 0.000 1.353 1007 I CB -1.602 36.419 38.000 0.033 0.000 1.063 1007 I HN 0.378 nan 8.210 nan 0.000 0.408 1008 Q N 0.855 120.663 119.800 0.014 0.000 2.449 1008 Q HA -0.180 4.160 4.340 -0.000 0.000 0.214 1008 Q C 1.818 177.820 176.000 0.005 0.000 0.986 1008 Q CA 0.864 56.674 55.803 0.011 0.000 0.893 1008 Q CB -0.460 28.282 28.738 0.007 0.000 0.940 1008 Q HN 0.540 nan 8.270 nan 0.000 0.477 1009 N N -0.336 118.364 118.700 -0.000 0.000 2.349 1009 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 1009 N C 1.454 176.961 175.510 -0.006 0.000 1.024 1009 N CA 0.947 53.992 53.050 -0.008 0.000 0.869 1009 N CB 0.181 38.659 38.487 -0.015 0.000 1.022 1009 N HN 0.147 nan 8.380 nan 0.000 0.433 1010 A N 1.046 123.864 122.820 -0.003 0.000 2.019 1010 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 1010 A C 2.091 179.690 177.584 0.024 0.000 1.164 1010 A CA 1.568 53.607 52.037 0.003 0.000 0.644 1010 A CB -0.510 18.494 19.000 0.007 0.000 0.805 1010 A HN 0.414 nan 8.150 nan 0.000 0.449 1011 Q N 0.588 120.405 119.800 0.028 0.000 1.942 1011 Q HA -0.171 4.169 4.340 -0.000 0.000 0.203 1011 Q C 2.019 178.038 176.000 0.032 0.000 0.987 1011 Q CA 2.230 58.058 55.803 0.042 0.000 0.844 1011 Q CB -0.566 28.194 28.738 0.037 0.000 0.911 1011 Q HN 0.606 nan 8.270 nan 0.000 0.423 1012 R N 0.462 120.967 120.500 0.008 0.000 2.204 1012 R HA -0.184 4.156 4.340 -0.000 0.000 0.253 1012 R C 1.681 177.971 176.300 -0.017 0.000 1.172 1012 R CA 1.410 57.502 56.100 -0.013 0.000 0.994 1012 R CB -0.370 29.915 30.300 -0.026 0.000 0.874 1012 R HN 0.533 nan 8.270 nan 0.000 0.462 1013 D N 0.468 120.867 120.400 -0.001 0.000 2.106 1013 D HA -0.043 4.597 4.640 -0.000 0.000 0.203 1013 D C 1.781 178.094 176.300 0.021 0.000 0.977 1013 D CA 1.280 55.280 54.000 -0.000 0.000 0.844 1013 D CB -0.350 40.451 40.800 0.003 0.000 1.002 1013 D HN 0.185 nan 8.370 nan 0.000 0.461 1014 A N 0.822 123.671 122.820 0.048 0.000 2.234 1014 A HA -0.072 4.248 4.320 -0.000 0.000 0.216 1014 A C 2.231 179.888 177.584 0.121 0.000 1.167 1014 A CA 0.909 52.994 52.037 0.079 0.000 0.698 1014 A CB -0.315 18.742 19.000 0.094 0.000 0.779 1014 A HN 0.155 nan 8.150 nan 0.000 0.475 1015 V N -1.706 118.268 119.914 0.100 0.000 3.085 1015 V HA -0.096 4.024 4.120 -0.000 0.000 0.245 1015 V C 2.387 178.526 176.094 0.075 0.000 1.114 1015 V CA 1.529 63.909 62.300 0.133 0.000 1.108 1015 V CB -0.962 30.901 31.823 0.067 0.000 0.798 1015 V HN 0.517 nan 8.190 nan 0.000 0.471 1016 T N 1.862 116.402 114.554 -0.024 0.000 2.427 1016 T HA -0.354 3.996 4.350 -0.000 0.000 0.244 1016 T C 1.911 176.535 174.700 -0.127 0.000 1.325 1016 T CA 2.509 64.524 62.100 -0.141 0.000 1.173 1016 T CB -0.714 68.015 68.868 -0.231 0.000 0.859 1016 T HN 0.310 nan 8.240 nan 0.000 0.415 1017 L N 0.562 121.740 121.223 -0.077 0.000 2.230 1017 L HA -0.135 4.205 4.340 -0.000 0.000 0.217 1017 L C 1.878 178.819 176.870 0.118 0.000 1.090 1017 L CA 1.678 56.516 54.840 -0.002 0.000 0.771 1017 L CB -1.106 40.978 42.059 0.042 0.000 0.892 1017 L HN 0.346 nan 8.230 nan 0.000 0.438 1018 F N -0.379 119.560 119.950 -0.018 0.000 2.059 1018 F HA -0.130 4.397 4.527 -0.000 0.000 0.289 1018 F C 2.580 178.351 175.800 -0.049 0.000 1.128 1018 F CA 1.345 59.349 58.000 0.006 0.000 1.181 1018 F CB -1.247 37.779 39.000 0.043 0.000 1.012 1018 F HN 0.188 nan 8.300 nan 0.000 0.473 1019 C N 0.955 119.992 119.300 -0.438 0.000 2.369 1019 C HA -0.346 4.114 4.460 -0.000 0.000 0.273 1019 C C 3.059 177.835 174.990 -0.357 0.000 1.172 1019 C CA 1.185 59.875 59.018 -0.547 0.000 1.791 1019 C CB -2.127 25.412 27.740 -0.335 0.000 2.086 1019 C HN 0.729 nan 8.230 nan 0.000 0.459 1020 C N 0.401 119.570 119.300 -0.218 0.000 2.396 1020 C HA -0.166 4.293 4.460 -0.000 0.000 0.277 1020 C C 2.527 177.478 174.990 -0.064 0.000 1.231 1020 C CA 1.392 60.335 59.018 -0.125 0.000 1.775 1020 C CB -1.753 25.927 27.740 -0.100 0.000 2.036 1020 C HN 0.703 nan 8.230 nan 0.000 0.484 1021 L N 0.329 121.514 121.223 -0.064 0.000 2.095 1021 L HA 0.059 4.399 4.340 -0.000 0.000 0.204 1021 L C 2.218 179.033 176.870 -0.092 0.000 1.080 1021 L CA 1.506 56.349 54.840 0.006 0.000 0.759 1021 L CB -1.111 41.027 42.059 0.132 0.000 0.914 1021 L HN 0.225 nan 8.230 nan 0.000 0.439 1022 L N 0.427 121.461 121.223 -0.316 0.000 1.944 1022 L HA -0.244 4.095 4.340 -0.000 0.000 0.218 1022 L C 2.779 179.543 176.870 -0.176 0.000 1.075 1022 L CA 2.163 56.787 54.840 -0.361 0.000 0.767 1022 L CB -0.806 40.859 42.059 -0.657 0.000 0.890 1022 L HN 0.298 nan 8.230 nan 0.000 0.434 1023 R N -0.898 119.506 120.500 -0.160 0.000 2.117 1023 R HA -0.184 4.156 4.340 -0.000 0.000 0.243 1023 R C 2.478 178.771 176.300 -0.011 0.000 1.143 1023 R CA 1.431 57.487 56.100 -0.073 0.000 0.968 1023 R CB -0.910 29.350 30.300 -0.066 0.000 0.863 1023 R HN 0.561 nan 8.270 nan 0.000 0.444 1024 S N 0.364 116.076 115.700 0.020 0.000 2.387 1024 S HA -0.140 4.329 4.470 -0.000 0.000 0.230 1024 S C 1.852 176.466 174.600 0.024 0.000 1.035 1024 S CA 1.147 59.420 58.200 0.121 0.000 1.014 1024 S CB 0.045 63.319 63.200 0.123 0.000 0.836 1024 S HN 0.209 nan 8.310 nan 0.000 0.466 1025 R N 0.465 120.968 120.500 0.005 0.000 2.105 1025 R HA 0.302 4.642 4.340 -0.000 0.000 0.214 1025 R C 1.115 177.455 176.300 0.068 0.000 1.091 1025 R CA 0.491 56.615 56.100 0.041 0.000 1.007 1025 R CB -0.928 29.400 30.300 0.046 0.000 0.912 1025 R HN 0.420 nan 8.270 nan 0.000 0.450 1026 L N 2.169 123.407 121.223 0.025 0.000 2.934 1026 L HA 0.348 4.688 4.340 -0.000 0.000 0.233 1026 L C 0.069 176.959 176.870 0.035 0.000 1.358 1026 L CA -0.566 54.325 54.840 0.084 0.000 1.233 1026 L CB 0.090 42.190 42.059 0.068 0.000 1.594 1026 L HN -0.070 nan 8.230 nan 0.000 0.439 1027 A N -0.410 122.373 122.820 -0.063 0.000 2.320 1027 A HA 0.361 4.681 4.320 -0.000 0.000 0.287 1027 A C 1.391 178.901 177.584 -0.122 0.000 1.181 1027 A CA -0.341 51.612 52.037 -0.140 0.000 0.831 1027 A CB 0.502 19.265 19.000 -0.395 0.000 1.102 1027 A HN 0.457 nan 8.150 nan 0.000 0.513 1028 T N 1.519 116.029 114.554 -0.073 0.000 2.760 1028 T HA -0.183 4.167 4.350 -0.000 0.000 0.269 1028 T C 2.020 176.657 174.700 -0.105 0.000 1.047 1028 T CA 1.746 63.801 62.100 -0.075 0.000 1.139 1028 T CB -0.138 68.702 68.868 -0.047 0.000 0.855 1028 T HN 0.610 nan 8.240 nan 0.000 0.471 1029 R N 0.517 120.936 120.500 -0.135 0.000 2.119 1029 R HA 0.172 4.512 4.340 -0.000 0.000 0.222 1029 R C 2.503 178.659 176.300 -0.240 0.000 1.088 1029 R CA 0.805 56.811 56.100 -0.156 0.000 0.984 1029 R CB -0.167 30.053 30.300 -0.133 0.000 0.884 1029 R HN 0.364 nan 8.270 nan 0.000 0.447 1030 R N -0.328 119.972 120.500 -0.334 0.000 2.060 1030 R HA -0.054 4.285 4.340 -0.000 0.000 0.225 1030 R C 2.253 178.289 176.300 -0.440 0.000 1.155 1030 R CA 1.512 57.327 56.100 -0.474 0.000 0.930 1030 R CB -0.493 29.497 30.300 -0.518 0.000 0.829 1030 R HN -0.049 nan 8.270 nan 0.000 0.433 1031 V N 1.392 121.207 119.914 -0.164 0.000 2.353 1031 V HA -0.322 3.798 4.120 -0.000 0.000 0.260 1031 V C 2.029 178.142 176.094 0.033 0.000 1.091 1031 V CA 1.856 64.214 62.300 0.095 0.000 1.088 1031 V CB -0.476 31.417 31.823 0.116 0.000 0.672 1031 V HN 0.259 nan 8.190 nan 0.000 0.455 1032 L N -1.451 119.727 121.223 -0.075 0.000 2.262 1032 L HA 0.062 4.401 4.340 -0.000 0.000 0.197 1032 L C 2.395 179.225 176.870 -0.067 0.000 1.073 1032 L CA 1.563 56.372 54.840 -0.051 0.000 0.800 1032 L CB -0.765 41.256 42.059 -0.062 0.000 0.987 1032 L HN 0.233 nan 8.230 nan 0.000 0.470 1033 Q N -0.260 119.467 119.800 -0.122 0.000 2.245 1033 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 1033 Q C 1.701 177.609 176.000 -0.154 0.000 0.955 1033 Q CA 1.170 56.903 55.803 -0.117 0.000 0.870 1033 Q CB 0.349 29.013 28.738 -0.124 0.000 0.945 1033 Q HN 0.540 nan 8.270 nan 0.000 0.461 1034 E N -0.575 119.460 120.200 -0.274 0.000 2.057 1034 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 1034 E C -0.487 176.009 176.600 -0.172 0.000 0.959 1034 E CA 0.392 56.586 56.400 -0.344 0.000 0.828 1034 E CB 0.303 29.611 29.700 -0.654 0.000 0.800 1034 E HN 0.317 nan 8.360 nan 0.000 0.460 1035 Y N -0.148 120.159 120.300 0.011 0.000 2.712 1035 Y HA 0.432 4.982 4.550 -0.000 0.000 0.328 1035 Y C -0.054 175.890 175.900 0.075 0.000 0.995 1035 Y CA -1.109 57.033 58.100 0.070 0.000 1.283 1035 Y CB 0.426 38.916 38.460 0.051 0.000 1.092 1035 Y HN -0.220 nan 8.280 nan 0.000 0.519 1036 R N 2.674 123.330 120.500 0.260 0.000 2.515 1036 R HA -0.081 4.259 4.340 -0.000 0.000 0.224 1036 R C 0.158 176.522 176.300 0.107 0.000 1.505 1036 R CA 0.212 56.408 56.100 0.160 0.000 1.436 1036 R CB -1.152 29.246 30.300 0.164 0.000 0.776 1036 R HN 0.782 nan 8.270 nan 0.000 0.506 1037 L N 0.592 121.901 121.223 0.144 0.000 2.517 1037 L HA -0.083 4.257 4.340 -0.000 0.000 0.294 1037 L C 1.299 178.185 176.870 0.028 0.000 1.264 1037 L CA 1.111 56.000 54.840 0.082 0.000 0.839 1037 L CB -0.297 41.868 42.059 0.176 0.000 1.098 1037 L HN 0.213 nan 8.230 nan 0.000 0.525 1038 T N -1.887 112.654 114.554 -0.022 0.000 2.924 1038 T HA 0.287 4.637 4.350 -0.000 0.000 0.291 1038 T C 0.622 175.318 174.700 -0.007 0.000 1.045 1038 T CA -0.872 61.209 62.100 -0.031 0.000 1.015 1038 T CB 2.268 71.108 68.868 -0.047 0.000 1.103 1038 T HN 0.610 nan 8.240 nan 0.000 0.496 1039 K N 1.149 121.546 120.400 -0.005 0.000 2.071 1039 K HA -0.317 4.003 4.320 -0.000 0.000 0.217 1039 K C 2.129 178.775 176.600 0.077 0.000 1.054 1039 K CA 2.665 58.974 56.287 0.035 0.000 0.937 1039 K CB -0.662 31.848 32.500 0.017 0.000 0.719 1039 K HN 0.768 nan 8.250 nan 0.000 0.454 1040 Q N -0.554 119.251 119.800 0.008 0.000 1.895 1040 Q HA -0.220 4.120 4.340 -0.000 0.000 0.217 1040 Q C 2.016 177.917 176.000 -0.164 0.000 1.003 1040 Q CA 2.304 58.093 55.803 -0.024 0.000 0.871 1040 Q CB -0.590 28.145 28.738 -0.005 0.000 0.941 1040 Q HN 0.448 nan 8.270 nan 0.000 0.421 1041 A N 0.530 123.023 122.820 -0.546 0.000 1.894 1041 A HA -0.302 4.017 4.320 -0.000 0.000 0.220 1041 A C 1.924 179.441 177.584 -0.112 0.000 1.237 1041 A CA 2.089 53.702 52.037 -0.706 0.000 0.660 1041 A CB -1.536 17.110 19.000 -0.590 0.000 0.835 1041 A HN 0.660 nan 8.150 nan 0.000 0.461 1042 F N 1.094 120.963 119.950 -0.135 0.000 2.015 1042 F HA -0.277 4.249 4.527 -0.000 0.000 0.297 1042 F C 2.096 177.896 175.800 0.000 0.000 1.141 1042 F CA 2.583 60.552 58.000 -0.050 0.000 1.192 1042 F CB -0.575 38.400 39.000 -0.042 0.000 0.957 1042 F HN 0.355 nan 8.300 nan 0.000 0.491 1043 D N -1.059 119.437 120.400 0.161 0.000 2.292 1043 D HA -0.270 4.369 4.640 -0.000 0.000 0.205 1043 D C 1.738 178.083 176.300 0.075 0.000 0.994 1043 D CA 1.555 55.609 54.000 0.091 0.000 0.897 1043 D CB -0.480 40.413 40.800 0.155 0.000 0.907 1043 D HN 0.513 nan 8.370 nan 0.000 0.467 1044 W N 1.383 122.617 121.300 -0.111 0.000 2.474 1044 W HA -0.140 4.520 4.660 -0.000 0.000 0.319 1044 W C 2.296 178.739 176.519 -0.126 0.000 1.165 1044 W CA 0.608 57.919 57.345 -0.058 0.000 1.356 1044 W CB -0.777 28.689 29.460 0.010 0.000 1.172 1044 W HN -0.292 nan 8.180 nan 0.000 0.478 1045 V N 1.962 121.828 119.914 -0.081 0.000 2.311 1045 V HA -0.399 3.721 4.120 -0.000 0.000 0.256 1045 V C 2.393 178.247 176.094 -0.400 0.000 1.077 1045 V CA 2.216 64.314 62.300 -0.336 0.000 1.067 1045 V CB -1.312 30.337 31.823 -0.290 0.000 0.659 1045 V HN 0.307 nan 8.190 nan 0.000 0.451 1046 L N -0.453 120.522 121.223 -0.414 0.000 2.056 1046 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 1046 L C 2.728 179.454 176.870 -0.240 0.000 1.078 1046 L CA 1.840 56.468 54.840 -0.352 0.000 0.749 1046 L CB -0.716 41.128 42.059 -0.357 0.000 0.901 1046 L HN 0.448 nan 8.230 nan 0.000 0.433 1047 S N 0.355 115.929 115.700 -0.211 0.000 2.351 1047 S HA -0.236 4.234 4.470 -0.000 0.000 0.220 1047 S C 1.694 176.163 174.600 -0.218 0.000 1.035 1047 S CA 1.966 60.068 58.200 -0.163 0.000 1.031 1047 S CB -0.359 62.783 63.200 -0.097 0.000 0.928 1047 S HN 0.460 nan 8.310 nan 0.000 0.433 1048 N N 0.781 119.247 118.700 -0.390 0.000 2.036 1048 N HA -0.125 4.614 4.740 -0.000 0.000 0.195 1048 N C 1.919 177.304 175.510 -0.209 0.000 1.037 1048 N CA 1.842 54.672 53.050 -0.367 0.000 0.855 1048 N CB -0.444 37.683 38.487 -0.601 0.000 1.033 1048 N HN 0.413 nan 8.380 nan 0.000 0.423 1049 I N 1.396 121.845 120.570 -0.201 0.000 2.145 1049 I HA -0.317 3.852 4.170 -0.000 0.000 0.244 1049 I C 2.668 178.790 176.117 0.009 0.000 1.075 1049 I CA 1.430 62.688 61.300 -0.071 0.000 1.332 1049 I CB -0.413 37.541 38.000 -0.076 0.000 1.033 1049 I HN 0.302 nan 8.210 nan 0.000 0.410 1050 E N 1.325 121.500 120.200 -0.042 0.000 2.160 1050 E HA -0.236 4.113 4.350 -0.000 0.000 0.195 1050 E C 1.972 178.609 176.600 0.062 0.000 0.991 1050 E CA 1.606 58.010 56.400 0.006 0.000 0.810 1050 E CB -0.007 29.674 29.700 -0.032 0.000 0.742 1050 E HN 0.504 nan 8.360 nan 0.000 0.466 1051 A N 0.568 123.389 122.820 0.001 0.000 1.843 1051 A HA -0.076 4.244 4.320 -0.000 0.000 0.213 1051 A C 2.153 179.726 177.584 -0.020 0.000 1.239 1051 A CA 1.063 53.093 52.037 -0.011 0.000 0.606 1051 A CB -0.782 18.190 19.000 -0.047 0.000 0.903 1051 A HN 0.309 nan 8.150 nan 0.000 0.455 1052 Q N -1.717 118.054 119.800 -0.049 0.000 2.315 1052 Q HA -0.269 4.071 4.340 -0.000 0.000 0.213 1052 Q C 1.672 177.622 176.000 -0.084 0.000 0.994 1052 Q CA 2.087 57.845 55.803 -0.074 0.000 0.906 1052 Q CB -0.323 28.374 28.738 -0.068 0.000 0.918 1052 Q HN 0.713 nan 8.270 nan 0.000 0.427 1053 F N 0.063 119.922 119.950 -0.151 0.000 2.059 1053 F HA -0.120 4.407 4.527 -0.000 0.000 0.289 1053 F C 1.811 177.509 175.800 -0.169 0.000 1.128 1053 F CA 1.059 58.951 58.000 -0.179 0.000 1.181 1053 F CB -0.440 38.498 39.000 -0.104 0.000 1.012 1053 F HN -0.056 nan 8.300 nan 0.000 0.473 1054 L N 0.300 121.533 121.223 0.017 0.000 2.151 1054 L HA -0.311 4.029 4.340 -0.000 0.000 0.215 1054 L C 2.613 179.347 176.870 -0.227 0.000 1.084 1054 L CA 1.575 56.362 54.840 -0.087 0.000 0.764 1054 L CB -0.531 41.540 42.059 0.020 0.000 0.891 1054 L HN 0.201 nan 8.230 nan 0.000 0.435 1055 R N -1.356 118.995 120.500 -0.248 0.000 2.119 1055 R HA -0.036 4.304 4.340 -0.000 0.000 0.222 1055 R C 2.393 178.332 176.300 -0.601 0.000 1.088 1055 R CA 1.064 56.977 56.100 -0.312 0.000 0.984 1055 R CB -0.079 30.067 30.300 -0.256 0.000 0.884 1055 R HN 0.221 nan 8.270 nan 0.000 0.447 1056 S N 0.585 115.882 115.700 -0.672 0.000 2.442 1056 S HA -0.039 4.431 4.470 -0.000 0.000 0.236 1056 S C 1.055 175.428 174.600 -0.379 0.000 1.007 1056 S CA 0.371 58.148 58.200 -0.705 0.000 0.965 1056 S CB -0.090 62.832 63.200 -0.463 0.000 0.773 1056 S HN 0.009 nan 8.310 nan 0.000 0.504 1057 V N 1.357 121.008 119.914 -0.438 0.000 3.672 1057 V HA 0.015 4.135 4.120 -0.000 0.000 0.301 1057 V C 0.783 176.779 176.094 -0.165 0.000 1.123 1057 V CA -0.019 62.097 62.300 -0.306 0.000 1.210 1057 V CB 0.204 31.841 31.823 -0.309 0.000 1.089 1057 V HN 0.105 nan 8.190 nan 0.000 0.491 1058 V N 0.698 120.548 119.914 -0.106 0.000 2.612 1058 V HA 0.309 4.429 4.120 -0.000 0.000 0.301 1058 V C -0.017 175.991 176.094 -0.144 0.000 1.046 1058 V CA -0.609 61.663 62.300 -0.046 0.000 0.946 1058 V CB 1.411 33.243 31.823 0.015 0.000 1.003 1058 V HN 0.802 nan 8.190 nan 0.000 0.459 1059 H N 4.978 124.046 119.070 -0.004 0.000 2.723 1059 H HA 0.224 4.780 4.556 -0.000 0.000 0.294 1059 H C -2.241 173.089 175.328 0.002 0.000 1.079 1059 H CA -1.871 54.188 56.048 0.018 0.000 1.411 1059 H CB 1.182 30.957 29.762 0.022 0.000 1.439 1059 H HN 0.393 nan 8.280 nan 0.000 0.474 1060 P HA -0.043 nan 4.420 nan 0.000 0.245 1060 P C 0.826 178.053 177.300 -0.121 0.000 1.347 1060 P CA 0.769 63.885 63.100 0.027 0.000 1.314 1060 P CB 0.017 31.858 31.700 0.235 0.000 1.679 1061 G N 1.308 110.050 108.800 -0.096 0.000 4.308 1061 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.198 1061 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.198 1061 G C -0.244 174.596 174.900 -0.101 0.000 0.980 1061 G CA -0.428 44.601 45.100 -0.119 0.000 0.961 1061 G HN 0.271 nan 8.290 nan 0.000 0.318 1062 E N 2.588 122.746 120.200 -0.071 0.000 3.624 1062 E HA -0.094 4.256 4.350 -0.000 0.000 0.247 1062 E C 0.201 176.730 176.600 -0.119 0.000 0.869 1062 E CA 0.620 56.961 56.400 -0.099 0.000 0.946 1062 E CB 0.014 29.629 29.700 -0.141 0.000 0.880 1062 E HN 0.228 nan 8.360 nan 0.000 0.578 1063 M N 4.372 123.915 119.600 -0.095 0.000 2.869 1063 M HA -0.016 4.464 4.480 -0.000 0.000 0.299 1063 M C 1.201 177.456 176.300 -0.075 0.000 1.508 1063 M CA 0.089 55.342 55.300 -0.079 0.000 1.551 1063 M CB -0.473 32.085 32.600 -0.071 0.000 1.384 1063 M HN 0.186 nan 8.290 nan 0.000 0.491 1064 V N 2.017 121.879 119.914 -0.087 0.000 2.453 1064 V HA -0.136 3.984 4.120 -0.000 0.000 0.247 1064 V C 2.402 178.512 176.094 0.028 0.000 1.048 1064 V CA 2.037 64.313 62.300 -0.039 0.000 1.049 1064 V CB -1.332 30.462 31.823 -0.048 0.000 0.672 1064 V HN 0.875 nan 8.190 nan 0.000 0.457 1065 G N 0.894 109.698 108.800 0.007 0.000 2.719 1065 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 1065 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 1065 G C 1.657 176.528 174.900 -0.048 0.000 1.234 1065 G CA 1.794 46.886 45.100 -0.013 0.000 0.788 1065 G HN 0.374 nan 8.290 nan 0.000 0.619 1066 V N 0.886 120.762 119.914 -0.064 0.000 2.332 1066 V HA -0.163 3.957 4.120 -0.000 0.000 0.248 1066 V C 2.696 178.732 176.094 -0.096 0.000 1.055 1066 V CA 1.767 64.016 62.300 -0.086 0.000 1.038 1066 V CB -0.629 31.146 31.823 -0.079 0.000 0.651 1066 V HN 0.379 nan 8.190 nan 0.000 0.450 1067 L N 1.097 122.274 121.223 -0.077 0.000 1.970 1067 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 1067 L C 2.495 179.233 176.870 -0.219 0.000 1.071 1067 L CA 2.478 57.254 54.840 -0.107 0.000 0.751 1067 L CB -1.443 40.596 42.059 -0.033 0.000 0.889 1067 L HN 0.228 nan 8.230 nan 0.000 0.432 1068 A N -0.010 122.743 122.820 -0.111 0.000 1.863 1068 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 1068 A C 2.489 179.943 177.584 -0.216 0.000 1.233 1068 A CA 3.367 55.325 52.037 -0.132 0.000 0.655 1068 A CB -1.689 17.373 19.000 0.103 0.000 0.839 1068 A HN 0.763 nan 8.150 nan 0.000 0.454 1069 A N -1.204 121.528 122.820 -0.146 0.000 1.883 1069 A HA -0.389 3.931 4.320 -0.000 0.000 0.222 1069 A C 2.079 179.554 177.584 -0.183 0.000 1.339 1069 A CA 2.586 54.525 52.037 -0.163 0.000 0.692 1069 A CB -1.190 17.712 19.000 -0.163 0.000 0.845 1069 A HN 0.708 nan 8.150 nan 0.000 0.467 1070 Q N -0.805 118.887 119.800 -0.179 0.000 2.047 1070 Q HA -0.233 4.107 4.340 -0.000 0.000 0.211 1070 Q C 2.393 178.262 176.000 -0.217 0.000 1.005 1070 Q CA 2.184 57.881 55.803 -0.178 0.000 0.866 1070 Q CB -0.557 28.096 28.738 -0.143 0.000 0.938 1070 Q HN 0.708 nan 8.270 nan 0.000 0.414 1071 S N 0.373 115.909 115.700 -0.273 0.000 2.465 1071 S HA -0.104 4.366 4.470 -0.000 0.000 0.241 1071 S C 1.852 176.329 174.600 -0.204 0.000 1.000 1071 S CA 0.909 58.938 58.200 -0.286 0.000 0.964 1071 S CB -0.156 62.736 63.200 -0.513 0.000 0.763 1071 S HN 0.303 nan 8.310 nan 0.000 0.512 1072 I N 0.355 120.816 120.570 -0.181 0.000 2.810 1072 I HA 0.103 4.273 4.170 -0.000 0.000 0.262 1072 I C 2.659 178.691 176.117 -0.141 0.000 1.131 1072 I CA 0.704 61.922 61.300 -0.137 0.000 1.453 1072 I CB -0.785 37.142 38.000 -0.121 0.000 1.161 1072 I HN 0.318 nan 8.210 nan 0.000 0.444 1073 G N 0.632 109.340 108.800 -0.153 0.000 2.422 1073 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 1073 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 1073 G C 1.523 176.331 174.900 -0.153 0.000 1.140 1073 G CA 0.373 45.388 45.100 -0.141 0.000 0.775 1073 G HN 0.236 nan 8.290 nan 0.000 0.545 1074 E N 1.201 121.282 120.200 -0.199 0.000 2.021 1074 E HA -0.131 4.219 4.350 -0.000 0.000 0.200 1074 E C 0.361 176.849 176.600 -0.188 0.000 1.015 1074 E CA 1.824 58.073 56.400 -0.252 0.000 0.824 1074 E CB -0.885 28.575 29.700 -0.400 0.000 0.762 1074 E HN 0.374 nan 8.360 nan 0.000 0.454 1075 P HA -0.056 nan 4.420 nan 0.000 0.219 1075 P C 1.280 178.519 177.300 -0.101 0.000 1.150 1075 P CA 1.741 64.769 63.100 -0.120 0.000 0.814 1075 P CB -0.109 31.525 31.700 -0.109 0.000 0.787 1076 A N 0.583 123.340 122.820 -0.105 0.000 1.892 1076 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 1076 A C 2.368 179.908 177.584 -0.073 0.000 1.188 1076 A CA 2.716 54.702 52.037 -0.086 0.000 0.631 1076 A CB -2.051 16.895 19.000 -0.089 0.000 0.822 1076 A HN 0.216 nan 8.150 nan 0.000 0.447 1077 T N -0.071 114.434 114.554 -0.081 0.000 2.803 1077 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 1077 T C 1.832 176.496 174.700 -0.060 0.000 1.052 1077 T CA 1.766 63.826 62.100 -0.067 0.000 1.136 1077 T CB -0.231 68.591 68.868 -0.077 0.000 0.864 1077 T HN 0.646 nan 8.240 nan 0.000 0.467 1078 Q N -0.275 119.484 119.800 -0.068 0.000 2.451 1078 Q HA 0.227 4.567 4.340 -0.000 0.000 0.206 1078 Q C 0.354 176.323 176.000 -0.051 0.000 0.947 1078 Q CA -0.034 55.734 55.803 -0.058 0.000 0.937 1078 Q CB -0.064 28.637 28.738 -0.063 0.000 1.025 1078 Q HN 0.542 nan 8.270 nan 0.000 0.511 1079 M N 1.049 120.617 119.600 -0.054 0.000 2.249 1079 M HA 0.008 4.488 4.480 -0.000 0.000 0.340 1079 M C 0.327 176.598 176.300 -0.048 0.000 1.166 1079 M CA 0.526 55.796 55.300 -0.050 0.000 1.115 1079 M CB 0.639 33.208 32.600 -0.053 0.000 1.606 1079 M HN 0.003 nan 8.290 nan 0.000 0.448 1080 T N 3.266 117.792 114.554 -0.048 0.000 2.766 1080 T HA 0.371 4.721 4.350 -0.000 0.000 0.295 1080 T C -0.248 174.405 174.700 -0.079 0.000 1.024 1080 T CA -0.541 61.527 62.100 -0.054 0.000 1.018 1080 T CB 0.711 69.553 68.868 -0.045 0.000 1.002 1080 T HN 0.336 nan 8.240 nan 0.000 0.532 1081 L N 2.739 123.909 121.223 -0.088 0.000 2.365 1081 L HA 0.379 4.719 4.340 -0.000 0.000 0.273 1081 L C -0.224 176.555 176.870 -0.152 0.000 1.000 1081 L CA -0.467 54.309 54.840 -0.107 0.000 0.819 1081 L CB 1.324 43.345 42.059 -0.064 0.000 1.284 1081 L HN 0.828 nan 8.230 nan 0.000 0.418 1082 N N 2.061 120.628 118.700 -0.223 0.000 2.652 1082 N HA -0.198 4.541 4.740 -0.000 0.000 0.281 1082 N C 0.464 175.788 175.510 -0.310 0.000 1.084 1082 N CA 0.907 53.779 53.050 -0.297 0.000 0.775 1082 N CB -0.937 37.498 38.487 -0.087 0.000 0.923 1082 N HN 0.683 nan 8.380 nan 0.000 0.558 1083 T N -0.768 113.482 114.554 -0.507 0.000 3.082 1083 T HA 0.199 4.548 4.350 -0.000 0.000 0.235 1083 T C 0.287 174.775 174.700 -0.353 0.000 0.991 1083 T CA 0.111 61.963 62.100 -0.412 0.000 1.220 1083 T CB 0.001 68.569 68.868 -0.499 0.000 0.909 1083 T HN 0.500 nan 8.240 nan 0.000 0.424 1084 F N 2.363 122.104 119.950 -0.349 0.000 2.086 1084 F HA -0.204 4.323 4.527 -0.000 0.000 0.393 1084 F C 0.925 176.478 175.800 -0.412 0.000 1.154 1084 F CA -0.277 57.578 58.000 -0.241 0.000 1.298 1084 F CB -0.749 38.224 39.000 -0.046 0.000 2.015 1084 F HN 0.452 nan 8.300 nan 0.000 0.739 1085 H N 3.019 122.032 119.070 -0.096 0.000 2.563 1085 H HA 0.091 4.647 4.556 -0.000 0.000 0.264 1085 H C 1.730 176.915 175.328 -0.239 0.000 0.957 1085 H CA 0.823 56.733 56.048 -0.231 0.000 1.173 1085 H CB 0.039 29.563 29.762 -0.396 0.000 1.420 1085 H HN 0.632 nan 8.280 nan 0.000 0.551 1086 F N 1.684 121.744 119.950 0.183 0.000 2.187 1086 F HA 0.146 4.673 4.527 -0.000 0.000 0.295 1086 F C 1.809 177.645 175.800 0.061 0.000 1.091 1086 F CA 0.150 58.220 58.000 0.115 0.000 1.308 1086 F CB -0.151 38.912 39.000 0.105 0.000 1.030 1086 F HN -0.043 nan 8.300 nan 0.000 0.487 1087 A N 0.741 123.683 122.820 0.203 0.000 2.608 1087 A HA 0.276 4.595 4.320 -0.000 0.000 0.239 1087 A C 1.376 179.006 177.584 0.075 0.000 1.018 1087 A CA 1.094 53.187 52.037 0.093 0.000 0.766 1087 A CB -0.990 18.051 19.000 0.068 0.000 0.928 1087 A HN 1.056 nan 8.150 nan 0.000 0.512 1088 G N 0.146 108.977 108.800 0.053 0.000 2.175 1088 G HA2 0.085 4.045 3.960 -0.000 0.000 0.182 1088 G HA3 0.085 4.045 3.960 -0.000 0.000 0.182 1088 G C 0.068 175.001 174.900 0.056 0.000 1.003 1088 G CA 0.046 45.168 45.100 0.038 0.000 0.666 1088 G HN 1.863 nan 8.290 nan 0.000 0.506 1089 V N 0.425 120.383 119.914 0.073 0.000 4.114 1089 V HA 0.591 4.711 4.120 -0.000 0.000 0.505 1089 V C 0.730 176.858 176.094 0.056 0.000 1.609 1089 V CA -0.360 61.987 62.300 0.078 0.000 2.377 1089 V CB 0.436 32.333 31.823 0.124 0.000 0.852 1089 V HN 1.438 nan 8.190 nan 0.000 0.562 1090 A N 1.312 124.149 122.820 0.027 0.000 2.520 1090 A HA 0.544 4.863 4.320 -0.000 0.000 0.235 1090 A C 1.338 178.916 177.584 -0.009 0.000 1.065 1090 A CA 1.119 53.154 52.037 -0.003 0.000 0.764 1090 A CB 0.176 19.170 19.000 -0.010 0.000 1.002 1090 A HN 2.215 nan 8.150 nan 0.000 0.502 1091 S N -0.639 115.041 115.700 -0.033 0.000 1.935 1091 S HA -0.162 4.308 4.470 -0.000 0.000 0.248 1091 S C 0.471 175.040 174.600 -0.052 0.000 1.122 1091 S CA 1.135 59.314 58.200 -0.035 0.000 1.319 1091 S CB -1.437 61.754 63.200 -0.015 0.000 1.625 1091 S HN 1.343 nan 8.310 nan 0.000 0.569 1092 K N 2.313 122.675 120.400 -0.063 0.000 2.618 1092 K HA 0.447 4.767 4.320 -0.000 0.000 0.207 1092 K C -0.417 176.053 176.600 -0.216 0.000 1.058 1092 K CA -0.319 55.891 56.287 -0.128 0.000 1.086 1092 K CB 0.281 32.722 32.500 -0.098 0.000 0.827 1092 K HN 0.617 nan 8.250 nan 0.000 0.481 1093 K N 0.573 120.889 120.400 -0.141 0.000 2.258 1093 K HA 0.334 4.654 4.320 -0.000 0.000 0.284 1093 K C -0.779 175.742 176.600 -0.131 0.000 1.051 1093 K CA -0.597 55.607 56.287 -0.138 0.000 0.923 1093 K CB 1.775 34.163 32.500 -0.187 0.000 1.046 1093 K HN -0.148 nan 8.250 nan 0.000 0.474 1094 V N 2.054 121.947 119.914 -0.035 0.000 2.876 1094 V HA 0.185 4.305 4.120 -0.000 0.000 0.312 1094 V C -0.177 176.136 176.094 0.365 0.000 1.085 1094 V CA -1.015 61.333 62.300 0.080 0.000 0.945 1094 V CB 2.302 34.129 31.823 0.006 0.000 1.017 1094 V HN 0.748 nan 8.190 nan 0.000 0.428 1095 T N 3.806 118.556 114.554 0.327 0.000 2.769 1095 T HA 0.433 4.783 4.350 -0.000 0.000 0.293 1095 T C 0.088 174.966 174.700 0.297 0.000 0.931 1095 T CA 0.014 62.377 62.100 0.438 0.000 1.139 1095 T CB 0.216 69.242 68.868 0.263 0.000 0.881 1095 T HN 0.940 nan 8.240 nan 0.000 0.532 1096 S N 2.057 117.879 115.700 0.204 0.000 2.546 1096 S HA 0.920 5.390 4.470 -0.000 0.000 0.274 1096 S C -0.006 174.537 174.600 -0.095 0.000 1.121 1096 S CA -0.229 58.019 58.200 0.080 0.000 0.887 1096 S CB 2.118 65.416 63.200 0.164 0.000 1.094 1096 S HN 1.337 nan 8.310 nan 0.000 0.474 1097 G N 0.730 109.501 108.800 -0.049 0.000 2.447 1097 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 1097 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 1097 G C 0.300 175.166 174.900 -0.056 0.000 1.261 1097 G CA -0.280 44.768 45.100 -0.087 0.000 1.000 1097 G HN 1.474 nan 8.290 nan 0.000 0.515 1098 V N 2.895 122.770 119.914 -0.064 0.000 2.332 1098 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 1098 V C 0.839 176.929 176.094 -0.007 0.000 1.055 1098 V CA 3.145 65.425 62.300 -0.033 0.000 1.038 1098 V CB -1.295 30.508 31.823 -0.034 0.000 0.651 1098 V HN 0.752 nan 8.190 nan 0.000 0.450 1099 P HA -0.222 nan 4.420 nan 0.000 0.218 1099 P C 1.541 178.874 177.300 0.055 0.000 1.148 1099 P CA 1.632 64.749 63.100 0.028 0.000 0.822 1099 P CB 0.015 31.730 31.700 0.026 0.000 0.784 1100 R N 0.287 120.814 120.500 0.046 0.000 2.062 1100 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 1100 R C 2.363 178.706 176.300 0.072 0.000 1.136 1100 R CA 1.044 57.191 56.100 0.077 0.000 0.948 1100 R CB -1.793 28.553 30.300 0.077 0.000 0.845 1100 R HN 0.050 nan 8.270 nan 0.000 0.430 1101 L N 1.433 122.679 121.223 0.038 0.000 2.079 1101 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 1101 L C 2.057 178.950 176.870 0.037 0.000 1.081 1101 L CA 2.064 56.916 54.840 0.020 0.000 0.752 1101 L CB -0.864 41.188 42.059 -0.012 0.000 0.896 1101 L HN 0.362 nan 8.230 nan 0.000 0.433 1102 K N -0.244 120.187 120.400 0.051 0.000 1.978 1102 K HA -0.281 4.039 4.320 -0.000 0.000 0.214 1102 K C 2.096 178.755 176.600 0.098 0.000 1.049 1102 K CA 2.026 58.358 56.287 0.075 0.000 0.939 1102 K CB -0.368 32.184 32.500 0.086 0.000 0.721 1102 K HN 0.435 nan 8.250 nan 0.000 0.441 1103 E N 0.388 120.652 120.200 0.108 0.000 2.164 1103 E HA -0.254 4.096 4.350 -0.000 0.000 0.206 1103 E C 1.874 178.580 176.600 0.177 0.000 1.032 1103 E CA 2.094 58.574 56.400 0.133 0.000 0.832 1103 E CB -0.119 29.662 29.700 0.134 0.000 0.742 1103 E HN 0.368 nan 8.360 nan 0.000 0.460 1104 I N -0.005 120.664 120.570 0.165 0.000 2.138 1104 I HA -0.295 3.875 4.170 -0.000 0.000 0.225 1104 I C 2.336 178.537 176.117 0.140 0.000 1.057 1104 I CA 0.819 62.226 61.300 0.178 0.000 1.343 1104 I CB -0.663 37.356 38.000 0.031 0.000 1.118 1104 I HN 0.129 nan 8.210 nan 0.000 0.395 1105 L N 1.033 122.290 121.223 0.057 0.000 2.186 1105 L HA -0.343 3.997 4.340 -0.000 0.000 0.221 1105 L C 2.274 179.210 176.870 0.110 0.000 1.087 1105 L CA 1.524 56.391 54.840 0.045 0.000 0.794 1105 L CB -1.046 41.011 42.059 -0.002 0.000 0.893 1105 L HN 0.447 nan 8.230 nan 0.000 0.442 1106 N N -0.426 118.355 118.700 0.135 0.000 2.270 1106 N HA -0.069 4.671 4.740 -0.000 0.000 0.181 1106 N C 0.689 176.304 175.510 0.175 0.000 1.016 1106 N CA 1.018 54.166 53.050 0.163 0.000 0.870 1106 N CB 0.242 38.823 38.487 0.156 0.000 0.979 1106 N HN 0.095 nan 8.380 nan 0.000 0.431 1107 V N 0.454 120.492 119.914 0.207 0.000 6.358 1107 V HA -0.241 3.879 4.120 -0.000 0.000 0.310 1107 V C 0.116 176.289 176.094 0.132 0.000 0.525 1107 V CA 0.310 62.746 62.300 0.226 0.000 0.682 1107 V CB -2.226 29.718 31.823 0.202 0.000 0.430 1107 V HN 0.416 nan 8.190 nan 0.000 0.720 1108 A N 1.574 124.465 122.820 0.118 0.000 2.327 1108 A HA 0.739 5.059 4.320 -0.000 0.000 0.283 1108 A C 0.779 178.364 177.584 0.001 0.000 1.127 1108 A CA 0.393 52.468 52.037 0.064 0.000 0.810 1108 A CB 1.239 20.286 19.000 0.079 0.000 1.066 1108 A HN 0.589 nan 8.150 nan 0.000 0.492 1109 K N 1.808 122.202 120.400 -0.011 0.000 1.992 1109 K HA -0.048 4.272 4.320 -0.000 0.000 0.210 1109 K C 0.630 177.206 176.600 -0.040 0.000 1.036 1109 K CA 1.509 57.770 56.287 -0.044 0.000 0.946 1109 K CB -0.225 32.255 32.500 -0.033 0.000 0.742 1109 K HN 0.818 nan 8.250 nan 0.000 0.442 1110 N N 3.698 122.388 118.700 -0.017 0.000 2.543 1110 N HA -0.030 4.710 4.740 -0.000 0.000 0.289 1110 N C -0.279 175.233 175.510 0.004 0.000 1.223 1110 N CA 0.284 53.327 53.050 -0.010 0.000 1.080 1110 N CB -0.577 37.910 38.487 -0.001 0.000 1.450 1110 N HN 0.344 nan 8.380 nan 0.000 0.501 1111 M N -0.637 118.960 119.600 -0.005 0.000 2.242 1111 M HA 0.203 4.683 4.480 -0.000 0.000 0.344 1111 M C 1.018 177.334 176.300 0.026 0.000 1.140 1111 M CA -0.372 54.941 55.300 0.020 0.000 1.160 1111 M CB 1.211 33.820 32.600 0.014 0.000 1.491 1111 M HN 0.070 nan 8.290 nan 0.000 0.459 1112 K N 0.716 121.147 120.400 0.052 0.000 2.032 1112 K HA -0.033 4.287 4.320 -0.000 0.000 0.209 1112 K C 0.293 176.912 176.600 0.031 0.000 1.048 1112 K CA 1.353 57.669 56.287 0.049 0.000 0.927 1112 K CB -0.135 32.418 32.500 0.088 0.000 0.712 1112 K HN 0.703 nan 8.250 nan 0.000 0.441 1113 T N 2.675 117.257 114.554 0.047 0.000 2.788 1113 T HA 0.173 4.523 4.350 -0.000 0.000 0.296 1113 T C -2.207 172.502 174.700 0.015 0.000 1.009 1113 T CA -1.296 60.821 62.100 0.028 0.000 0.949 1113 T CB 1.912 70.812 68.868 0.054 0.000 0.946 1113 T HN 0.091 nan 8.240 nan 0.000 0.453 1114 P HA 0.201 nan 4.420 nan 0.000 0.272 1114 P C 0.603 177.878 177.300 -0.042 0.000 1.408 1114 P CA -0.167 62.914 63.100 -0.032 0.000 0.996 1114 P CB 0.331 32.007 31.700 -0.040 0.000 1.481 1115 S N 1.382 117.066 115.700 -0.027 0.000 2.594 1115 S HA 0.097 4.567 4.470 -0.000 0.000 0.259 1115 S C 0.116 174.685 174.600 -0.051 0.000 1.399 1115 S CA 0.473 58.655 58.200 -0.029 0.000 0.985 1115 S CB -0.326 62.868 63.200 -0.010 0.000 0.870 1115 S HN 0.302 nan 8.310 nan 0.000 0.542 1116 L N 0.591 121.792 121.223 -0.036 0.000 2.949 1116 L HA 0.464 4.804 4.340 -0.000 0.000 0.258 1116 L C -0.628 176.243 176.870 0.001 0.000 0.941 1116 L CA -0.314 54.499 54.840 -0.045 0.000 1.053 1116 L CB 1.081 43.105 42.059 -0.058 0.000 1.550 1116 L HN 0.473 nan 8.230 nan 0.000 0.493 1117 T N 3.917 118.503 114.554 0.055 0.000 2.794 1117 T HA 0.670 5.020 4.350 -0.000 0.000 0.296 1117 T C -0.106 174.587 174.700 -0.011 0.000 0.949 1117 T CA 0.095 62.205 62.100 0.016 0.000 1.101 1117 T CB 0.952 69.878 68.868 0.097 0.000 0.905 1117 T HN 0.833 nan 8.240 nan 0.000 0.516 1118 V N 2.487 122.329 119.914 -0.121 0.000 2.540 1118 V HA 0.657 4.776 4.120 -0.000 0.000 0.302 1118 V C -1.300 174.700 176.094 -0.157 0.000 1.035 1118 V CA -1.248 61.031 62.300 -0.035 0.000 0.873 1118 V CB 0.774 32.606 31.823 0.014 0.000 0.992 1118 V HN 0.699 nan 8.190 nan 0.000 0.428 1119 Y N 3.256 123.606 120.300 0.084 0.000 2.387 1119 Y HA 0.722 5.272 4.550 -0.000 0.000 0.330 1119 Y C 0.373 176.316 175.900 0.072 0.000 1.133 1119 Y CA -0.936 57.211 58.100 0.078 0.000 1.152 1119 Y CB 1.297 39.813 38.460 0.093 0.000 1.215 1119 Y HN 0.517 nan 8.280 nan 0.000 0.466 1120 L N 0.898 122.250 121.223 0.214 0.000 2.425 1120 L HA 0.078 4.417 4.340 -0.000 0.000 0.225 1120 L C 0.557 177.528 176.870 0.168 0.000 1.222 1120 L CA -0.092 54.848 54.840 0.166 0.000 0.832 1120 L CB 0.010 42.169 42.059 0.167 0.000 1.238 1120 L HN 0.625 nan 8.230 nan 0.000 0.533 1121 E N 0.129 120.432 120.200 0.173 0.000 2.349 1121 E HA 0.160 4.510 4.350 -0.000 0.000 0.265 1121 E C -1.806 174.848 176.600 0.090 0.000 1.064 1121 E CA -1.482 55.007 56.400 0.148 0.000 0.886 1121 E CB 0.911 30.741 29.700 0.217 0.000 1.036 1121 E HN 0.299 nan 8.360 nan 0.000 0.413 1122 P HA -0.332 nan 4.420 nan 0.000 0.240 1122 P C 0.913 178.175 177.300 -0.063 0.000 0.874 1122 P CA 1.885 64.970 63.100 -0.025 0.000 1.103 1122 P CB -0.262 31.406 31.700 -0.054 0.000 0.713 1123 G N -0.139 108.563 108.800 -0.164 0.000 2.802 1123 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.222 1123 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.222 1123 G C 0.193 175.020 174.900 -0.121 0.000 1.248 1123 G CA 1.347 46.332 45.100 -0.191 0.000 0.787 1123 G HN 0.553 nan 8.290 nan 0.000 0.643 1124 H N 1.630 120.717 119.070 0.029 0.000 3.343 1124 H HA 0.242 4.798 4.556 -0.000 0.000 0.207 1124 H C 0.907 176.269 175.328 0.057 0.000 0.784 1124 H CA 0.546 56.612 56.048 0.030 0.000 1.351 1124 H CB -0.626 29.148 29.762 0.020 0.000 1.527 1124 H HN 0.451 nan 8.280 nan 0.000 0.512 1125 A N 2.859 125.772 122.820 0.155 0.000 2.017 1125 A HA 0.520 4.840 4.320 -0.000 0.000 0.194 1125 A C 1.841 179.554 177.584 0.216 0.000 1.985 1125 A CA 0.236 52.377 52.037 0.173 0.000 1.584 1125 A CB -0.713 18.368 19.000 0.136 0.000 1.244 1125 A HN 0.494 nan 8.150 nan 0.000 0.587 1126 A N 0.208 123.158 122.820 0.216 0.000 2.309 1126 A HA -0.015 4.305 4.320 -0.000 0.000 0.210 1126 A C 0.471 178.118 177.584 0.106 0.000 1.216 1126 A CA 1.090 53.291 52.037 0.273 0.000 0.731 1126 A CB -0.834 18.285 19.000 0.198 0.000 0.762 1126 A HN 0.395 nan 8.150 nan 0.000 0.497 1127 D N 0.341 120.764 120.400 0.039 0.000 2.597 1127 D HA 0.100 4.740 4.640 -0.000 0.000 0.228 1127 D C 1.485 177.642 176.300 -0.238 0.000 1.120 1127 D CA 0.158 54.126 54.000 -0.053 0.000 1.083 1127 D CB 0.146 40.953 40.800 0.010 0.000 1.116 1127 D HN 0.542 nan 8.370 nan 0.000 0.487 1128 Q N 1.943 121.509 119.800 -0.389 0.000 2.001 1128 Q HA -0.320 4.020 4.340 -0.000 0.000 0.222 1128 Q C 1.611 177.302 176.000 -0.515 0.000 1.063 1128 Q CA 2.571 57.945 55.803 -0.714 0.000 0.911 1128 Q CB -0.360 28.105 28.738 -0.455 0.000 1.041 1128 Q HN 0.550 nan 8.270 nan 0.000 0.433 1129 E N -0.912 119.107 120.200 -0.302 0.000 2.086 1129 E HA -0.361 3.988 4.350 -0.000 0.000 0.200 1129 E C 2.027 178.513 176.600 -0.191 0.000 1.012 1129 E CA 1.599 57.871 56.400 -0.213 0.000 0.812 1129 E CB -0.316 29.301 29.700 -0.139 0.000 0.743 1129 E HN 0.545 nan 8.360 nan 0.000 0.453 1130 Q N 0.487 120.185 119.800 -0.170 0.000 2.290 1130 Q HA -0.256 4.084 4.340 -0.000 0.000 0.211 1130 Q C 1.531 177.447 176.000 -0.141 0.000 0.991 1130 Q CA 1.860 57.579 55.803 -0.139 0.000 0.893 1130 Q CB -0.383 28.295 28.738 -0.100 0.000 0.913 1130 Q HN 0.399 nan 8.270 nan 0.000 0.428 1131 A N 1.231 123.931 122.820 -0.198 0.000 1.823 1131 A HA -0.285 4.035 4.320 -0.000 0.000 0.214 1131 A C 1.873 179.386 177.584 -0.118 0.000 1.227 1131 A CA 2.235 54.172 52.037 -0.166 0.000 0.616 1131 A CB -0.872 17.955 19.000 -0.289 0.000 0.874 1131 A HN 0.587 nan 8.150 nan 0.000 0.455 1132 K N 0.154 120.474 120.400 -0.132 0.000 2.107 1132 K HA -0.192 4.128 4.320 -0.000 0.000 0.211 1132 K C 1.761 178.315 176.600 -0.076 0.000 1.049 1132 K CA 1.866 58.100 56.287 -0.089 0.000 0.927 1132 K CB -0.911 31.535 32.500 -0.089 0.000 0.714 1132 K HN 0.415 nan 8.250 nan 0.000 0.452 1133 L N 0.752 121.921 121.223 -0.090 0.000 2.151 1133 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 1133 L C 2.380 179.209 176.870 -0.067 0.000 1.084 1133 L CA 1.420 56.211 54.840 -0.080 0.000 0.764 1133 L CB -0.431 41.570 42.059 -0.097 0.000 0.891 1133 L HN 0.325 nan 8.230 nan 0.000 0.435 1134 I N -2.286 118.247 120.570 -0.063 0.000 3.339 1134 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 1134 I C 2.526 178.623 176.117 -0.033 0.000 1.201 1134 I CA 0.016 61.289 61.300 -0.045 0.000 1.434 1134 I CB -0.281 37.697 38.000 -0.037 0.000 1.152 1134 I HN 0.150 nan 8.210 nan 0.000 0.443 1135 R N 2.285 122.764 120.500 -0.036 0.000 2.154 1135 R HA -0.241 4.099 4.340 -0.000 0.000 0.236 1135 R C 2.238 178.525 176.300 -0.022 0.000 1.121 1135 R CA 2.865 58.949 56.100 -0.026 0.000 0.915 1135 R CB -0.458 29.825 30.300 -0.028 0.000 0.856 1135 R HN 0.404 nan 8.270 nan 0.000 0.431 1136 S N -0.326 115.357 115.700 -0.029 0.000 2.584 1136 S HA -0.027 4.442 4.470 -0.000 0.000 0.240 1136 S C 1.559 176.145 174.600 -0.023 0.000 0.975 1136 S CA 0.797 58.981 58.200 -0.027 0.000 0.949 1136 S CB 0.098 63.277 63.200 -0.036 0.000 0.761 1136 S HN 0.541 nan 8.310 nan 0.000 0.536 1137 A N 0.397 123.204 122.820 -0.022 0.000 2.308 1137 A HA 0.546 4.866 4.320 -0.000 0.000 0.217 1137 A C 1.540 179.120 177.584 -0.008 0.000 1.216 1137 A CA 0.009 52.034 52.037 -0.019 0.000 0.864 1137 A CB -0.200 18.785 19.000 -0.026 0.000 0.902 1137 A HN 0.589 nan 8.150 nan 0.000 0.499 1138 I N -2.075 118.494 120.570 -0.003 0.000 3.669 1138 I HA 0.116 4.286 4.170 -0.000 0.000 0.255 1138 I C 0.846 176.977 176.117 0.023 0.000 1.144 1138 I CA -0.227 61.076 61.300 0.005 0.000 1.447 1138 I CB -0.405 37.594 38.000 -0.002 0.000 1.622 1138 I HN 0.222 nan 8.210 nan 0.000 0.435 1139 E N 3.773 123.985 120.200 0.019 0.000 2.734 1139 E HA -0.199 4.151 4.350 -0.000 0.000 0.235 1139 E C -0.010 176.635 176.600 0.075 0.000 1.107 1139 E CA 0.050 56.472 56.400 0.037 0.000 0.951 1139 E CB -0.110 29.598 29.700 0.013 0.000 0.955 1139 E HN 0.182 nan 8.360 nan 0.000 0.515 1140 H N 3.574 122.629 119.070 -0.026 0.000 3.223 1140 H HA -0.080 4.476 4.556 -0.000 0.000 0.287 1140 H C -1.006 174.306 175.328 -0.027 0.000 0.910 1140 H CA 0.957 56.989 56.048 -0.027 0.000 1.406 1140 H CB 0.231 29.977 29.762 -0.026 0.000 1.377 1140 H HN 0.317 nan 8.280 nan 0.000 0.556 1141 T N 5.686 120.123 114.554 -0.194 0.000 2.812 1141 T HA 0.432 4.781 4.350 -0.000 0.000 0.282 1141 T C -0.432 174.066 174.700 -0.337 0.000 0.990 1141 T CA -0.608 61.351 62.100 -0.235 0.000 0.960 1141 T CB 0.972 69.775 68.868 -0.108 0.000 0.948 1141 T HN 0.696 nan 8.240 nan 0.000 0.438 1142 T N 1.175 115.539 114.554 -0.316 0.000 2.908 1142 T HA 0.450 4.800 4.350 -0.000 0.000 0.290 1142 T C 1.159 175.777 174.700 -0.135 0.000 1.034 1142 T CA -0.936 61.019 62.100 -0.241 0.000 1.010 1142 T CB 1.510 70.229 68.868 -0.248 0.000 1.068 1142 T HN 0.240 nan 8.240 nan 0.000 0.481 1143 L N 1.605 122.771 121.223 -0.094 0.000 2.021 1143 L HA -0.104 4.236 4.340 -0.000 0.000 0.215 1143 L C 2.473 179.309 176.870 -0.057 0.000 1.074 1143 L CA 2.032 56.833 54.840 -0.065 0.000 0.760 1143 L CB -0.901 41.135 42.059 -0.039 0.000 0.889 1143 L HN 0.920 nan 8.230 nan 0.000 0.433 1144 K N -0.826 119.542 120.400 -0.054 0.000 2.160 1144 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 1144 K C 2.048 178.620 176.600 -0.047 0.000 1.047 1144 K CA 1.645 57.907 56.287 -0.041 0.000 0.930 1144 K CB -0.167 32.311 32.500 -0.037 0.000 0.720 1144 K HN 0.704 nan 8.250 nan 0.000 0.450 1145 S N -0.201 115.458 115.700 -0.068 0.000 2.406 1145 S HA -0.085 4.384 4.470 -0.000 0.000 0.228 1145 S C 1.890 176.460 174.600 -0.050 0.000 1.020 1145 S CA 0.948 59.110 58.200 -0.062 0.000 0.965 1145 S CB -0.206 62.943 63.200 -0.085 0.000 0.798 1145 S HN 0.240 nan 8.310 nan 0.000 0.488 1146 V N -0.942 118.940 119.914 -0.053 0.000 3.590 1146 V HA 0.232 4.352 4.120 -0.000 0.000 0.265 1146 V C 0.776 176.849 176.094 -0.034 0.000 1.239 1146 V CA 0.103 62.375 62.300 -0.045 0.000 1.117 1146 V CB -1.269 30.521 31.823 -0.055 0.000 0.818 1146 V HN 0.318 nan 8.190 nan 0.000 0.451 1147 T N 1.004 115.540 114.554 -0.030 0.000 2.868 1147 T HA 0.541 4.891 4.350 -0.000 0.000 0.292 1147 T C 0.860 175.553 174.700 -0.012 0.000 1.028 1147 T CA 0.183 62.272 62.100 -0.019 0.000 1.059 1147 T CB 1.966 70.825 68.868 -0.015 0.000 0.991 1147 T HN 0.216 nan 8.240 nan 0.000 0.531 1148 I N 0.298 120.865 120.570 -0.005 0.000 4.240 1148 I HA 0.443 4.613 4.170 -0.000 0.000 0.331 1148 I C 0.638 176.760 176.117 0.009 0.000 1.381 1148 I CA -0.012 61.288 61.300 0.001 0.000 1.136 1148 I CB 0.352 38.353 38.000 0.002 0.000 1.137 1148 I HN 0.720 nan 8.210 nan 0.000 0.411 1149 A N 0.631 123.458 122.820 0.011 0.000 2.481 1149 A HA 0.591 4.911 4.320 -0.000 0.000 0.295 1149 A C -1.171 176.427 177.584 0.024 0.000 0.986 1149 A CA -0.231 51.819 52.037 0.021 0.000 0.617 1149 A CB 0.733 19.753 19.000 0.033 0.000 1.364 1149 A HN 0.065 nan 8.150 nan 0.000 0.452 1150 S N -0.091 115.630 115.700 0.036 0.000 2.575 1150 S HA 0.813 5.282 4.470 -0.000 0.000 0.278 1150 S C -1.177 173.468 174.600 0.074 0.000 1.139 1150 S CA -0.500 57.724 58.200 0.040 0.000 0.954 1150 S CB 1.678 64.895 63.200 0.027 0.000 1.054 1150 S HN 0.768 nan 8.310 nan 0.000 0.483 1151 E N 1.901 122.167 120.200 0.110 0.000 2.314 1151 E HA 0.531 4.880 4.350 -0.000 0.000 0.272 1151 E C -1.104 175.661 176.600 0.276 0.000 0.884 1151 E CA -0.726 55.809 56.400 0.225 0.000 0.753 1151 E CB 2.250 32.199 29.700 0.414 0.000 1.213 1151 E HN 0.685 nan 8.360 nan 0.000 0.432 1152 I N 2.794 123.534 120.570 0.283 0.000 2.339 1152 I HA 0.377 4.546 4.170 -0.000 0.000 0.290 1152 I C -0.938 175.454 176.117 0.458 0.000 0.994 1152 I CA -0.777 60.696 61.300 0.288 0.000 1.191 1152 I CB 0.322 38.381 38.000 0.099 0.000 1.343 1152 I HN 0.394 nan 8.210 nan 0.000 0.458 1153 Y N 4.473 124.909 120.300 0.225 0.000 2.587 1153 Y HA 0.339 4.889 4.550 -0.000 0.000 0.337 1153 Y C -0.485 175.658 175.900 0.404 0.000 1.065 1153 Y CA -1.113 57.144 58.100 0.260 0.000 1.126 1153 Y CB 1.377 39.923 38.460 0.144 0.000 1.279 1153 Y HN 0.376 nan 8.280 nan 0.000 0.489 1154 Y N 2.395 122.884 120.300 0.315 0.000 2.841 1154 Y HA 0.341 4.891 4.550 -0.000 0.000 0.329 1154 Y C -0.917 174.987 175.900 0.007 0.000 1.062 1154 Y CA -0.884 57.252 58.100 0.061 0.000 1.281 1154 Y CB 0.061 38.508 38.460 -0.022 0.000 1.147 1154 Y HN 0.472 nan 8.280 nan 0.000 0.521 1155 D N 7.738 127.914 120.400 -0.372 0.000 2.462 1155 D HA 0.248 4.888 4.640 -0.000 0.000 0.245 1155 D C -2.205 173.809 176.300 -0.478 0.000 1.122 1155 D CA -1.521 52.282 54.000 -0.328 0.000 0.864 1155 D CB 2.484 43.230 40.800 -0.090 0.000 1.098 1155 D HN 0.265 nan 8.370 nan 0.000 0.541 1156 P HA 0.075 nan 4.420 nan 0.000 0.245 1156 P C 0.084 177.236 177.300 -0.247 0.000 1.199 1156 P CA 0.119 62.944 63.100 -0.457 0.000 0.807 1156 P CB 0.951 32.348 31.700 -0.505 0.000 1.002 1157 D N 2.284 122.561 120.400 -0.206 0.000 2.479 1157 D HA 0.131 4.771 4.640 -0.000 0.000 0.218 1157 D C -1.398 174.823 176.300 -0.132 0.000 1.131 1157 D CA -2.453 51.457 54.000 -0.150 0.000 0.916 1157 D CB 0.587 41.306 40.800 -0.136 0.000 1.022 1157 D HN 0.063 nan 8.370 nan 0.000 0.515 1158 P HA -0.087 nan 4.420 nan 0.000 0.250 1158 P C 0.215 177.421 177.300 -0.156 0.000 1.239 1158 P CA 0.408 63.486 63.100 -0.037 0.000 0.756 1158 P CB 0.183 31.892 31.700 0.014 0.000 1.013 1159 R N -0.085 120.253 120.500 -0.269 0.000 2.629 1159 R HA 0.251 4.591 4.340 -0.000 0.000 0.386 1159 R C -0.112 175.985 176.300 -0.338 0.000 1.071 1159 R CA 0.078 55.885 56.100 -0.488 0.000 1.104 1159 R CB 0.575 30.644 30.300 -0.386 0.000 1.370 1159 R HN 0.189 nan 8.270 nan 0.000 0.574 1160 S N -1.274 114.294 115.700 -0.220 0.000 2.658 1160 S HA 0.115 4.584 4.470 -0.000 0.000 0.312 1160 S C -0.807 173.737 174.600 -0.093 0.000 1.006 1160 S CA -0.906 57.209 58.200 -0.141 0.000 0.855 1160 S CB 1.610 64.739 63.200 -0.119 0.000 1.053 1160 S HN -0.077 nan 8.310 nan 0.000 0.455 1161 T N 2.953 117.471 114.554 -0.060 0.000 2.767 1161 T HA 0.369 4.719 4.350 -0.000 0.000 0.284 1161 T C 1.464 176.160 174.700 -0.008 0.000 0.973 1161 T CA -0.551 61.529 62.100 -0.034 0.000 0.996 1161 T CB 1.358 70.207 68.868 -0.031 0.000 0.927 1161 T HN 0.764 nan 8.240 nan 0.000 0.456 1162 V N 3.741 123.665 119.914 0.016 0.000 3.244 1162 V HA -0.085 4.035 4.120 -0.000 0.000 0.273 1162 V C 0.922 177.061 176.094 0.075 0.000 1.180 1162 V CA 1.282 63.610 62.300 0.047 0.000 1.182 1162 V CB -1.246 30.625 31.823 0.081 0.000 0.796 1162 V HN 0.714 nan 8.190 nan 0.000 0.543 1163 I N 1.948 122.557 120.570 0.066 0.000 2.353 1163 I HA 0.228 4.397 4.170 -0.000 0.000 0.293 1163 I C -0.756 175.380 176.117 0.031 0.000 0.992 1163 I CA -1.993 59.348 61.300 0.068 0.000 1.268 1163 I CB 1.623 39.644 38.000 0.035 0.000 1.387 1163 I HN -0.007 nan 8.210 nan 0.000 0.478 1164 P HA -0.152 nan 4.420 nan 0.000 0.205 1164 P C 0.881 178.190 177.300 0.015 0.000 1.203 1164 P CA 1.435 64.547 63.100 0.021 0.000 0.926 1164 P CB 0.076 31.791 31.700 0.025 0.000 0.767 1165 E N -0.213 119.999 120.200 0.019 0.000 2.396 1165 E HA -0.242 4.108 4.350 -0.000 0.000 0.209 1165 E C 1.324 177.929 176.600 0.010 0.000 1.056 1165 E CA 1.631 58.040 56.400 0.015 0.000 0.851 1165 E CB -0.706 29.005 29.700 0.018 0.000 0.754 1165 E HN 0.365 nan 8.360 nan 0.000 0.504 1166 D N -0.235 120.166 120.400 0.002 0.000 2.346 1166 D HA -0.014 4.626 4.640 -0.000 0.000 0.206 1166 D C 1.319 177.624 176.300 0.008 0.000 1.001 1166 D CA 0.151 54.149 54.000 -0.003 0.000 0.871 1166 D CB 0.230 41.013 40.800 -0.029 0.000 0.943 1166 D HN 0.193 nan 8.370 nan 0.000 0.518 1167 E N 1.081 121.284 120.200 0.005 0.000 2.020 1167 E HA -0.311 4.038 4.350 -0.000 0.000 0.229 1167 E C 1.726 178.338 176.600 0.020 0.000 1.022 1167 E CA 1.344 57.745 56.400 0.003 0.000 0.903 1167 E CB -0.308 29.391 29.700 -0.002 0.000 0.812 1167 E HN 0.351 nan 8.360 nan 0.000 0.529 1168 E N 0.349 120.562 120.200 0.020 0.000 2.301 1168 E HA -0.289 4.061 4.350 -0.000 0.000 0.224 1168 E C 2.104 178.737 176.600 0.055 0.000 1.092 1168 E CA 1.617 58.034 56.400 0.029 0.000 0.913 1168 E CB -0.448 29.266 29.700 0.024 0.000 0.776 1168 E HN 0.332 nan 8.360 nan 0.000 0.465 1169 I N 0.617 121.227 120.570 0.068 0.000 2.034 1169 I HA -0.339 3.830 4.170 -0.000 0.000 0.228 1169 I C 2.468 178.703 176.117 0.198 0.000 1.041 1169 I CA 1.276 62.647 61.300 0.117 0.000 1.321 1169 I CB -0.516 37.536 38.000 0.086 0.000 1.062 1169 I HN 0.112 nan 8.210 nan 0.000 0.389 1170 I N 0.318 121.000 120.570 0.187 0.000 2.203 1170 I HA -0.501 3.668 4.170 -0.000 0.000 0.237 1170 I C 2.699 179.047 176.117 0.385 0.000 0.993 1170 I CA 1.929 63.420 61.300 0.319 0.000 1.277 1170 I CB -0.823 37.246 38.000 0.115 0.000 0.984 1170 I HN 0.443 nan 8.210 nan 0.000 0.402 1171 Q N 0.010 119.905 119.800 0.157 0.000 2.224 1171 Q HA -0.264 4.076 4.340 -0.000 0.000 0.213 1171 Q C 2.270 178.378 176.000 0.179 0.000 0.998 1171 Q CA 1.861 57.737 55.803 0.122 0.000 0.895 1171 Q CB -0.277 28.487 28.738 0.044 0.000 0.926 1171 Q HN 0.602 nan 8.270 nan 0.000 0.417 1172 L N -0.908 120.399 121.223 0.140 0.000 2.156 1172 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 1172 L C 1.847 178.660 176.870 -0.094 0.000 1.095 1172 L CA 0.739 55.578 54.840 -0.002 0.000 0.770 1172 L CB -0.377 41.621 42.059 -0.102 0.000 0.914 1172 L HN 0.338 nan 8.230 nan 0.000 0.439 1173 H N -1.354 117.722 119.070 0.011 0.000 2.547 1173 H HA 0.055 4.611 4.556 -0.000 0.000 0.266 1173 H C 1.142 176.224 175.328 -0.410 0.000 0.988 1173 H CA 0.634 56.542 56.048 -0.233 0.000 1.147 1173 H CB 0.441 29.974 29.762 -0.382 0.000 1.365 1173 H HN 0.322 nan 8.280 nan 0.000 0.589 1174 F N -0.343 119.639 119.950 0.054 0.000 2.680 1174 F HA -0.015 4.512 4.527 -0.000 0.000 0.290 1174 F C 2.557 178.355 175.800 -0.002 0.000 1.114 1174 F CA 0.311 58.331 58.000 0.032 0.000 1.333 1174 F CB 0.076 39.092 39.000 0.025 0.000 1.091 1174 F HN 0.027 nan 8.300 nan 0.000 0.606 1175 S N 0.661 116.446 115.700 0.142 0.000 2.355 1175 S HA 0.001 4.470 4.470 -0.000 0.000 0.222 1175 S C 0.858 175.465 174.600 0.013 0.000 1.031 1175 S CA 0.738 58.975 58.200 0.062 0.000 0.993 1175 S CB -0.650 62.570 63.200 0.033 0.000 0.859 1175 S HN 0.166 nan 8.310 nan 0.000 0.453 1188 Q N 1.336 121.098 119.800 -0.062 0.000 2.631 1188 Q HA 0.442 4.782 4.340 -0.000 0.000 0.184 1188 Q C -0.458 175.536 176.000 -0.010 0.000 1.157 1188 Q CA 0.424 56.202 55.803 -0.041 0.000 1.241 1188 Q CB 0.453 29.146 28.738 -0.075 0.000 1.343 1188 Q HN 0.276 nan 8.270 nan 0.000 0.671 1189 S N -0.631 115.079 115.700 0.016 0.000 2.566 1189 S HA 0.399 4.869 4.470 -0.000 0.000 0.298 1189 S C -2.181 172.408 174.600 -0.020 0.000 1.083 1189 S CA -1.852 56.367 58.200 0.032 0.000 0.978 1189 S CB 1.249 64.520 63.200 0.117 0.000 1.073 1189 S HN 0.405 nan 8.310 nan 0.000 0.491 1190 P HA 0.143 nan 4.420 nan 0.000 0.251 1190 P C -0.464 176.632 177.300 -0.339 0.000 1.223 1190 P CA 0.034 62.944 63.100 -0.316 0.000 0.796 1190 P CB -0.011 31.409 31.700 -0.467 0.000 1.068 1191 W N 1.240 122.568 121.300 0.046 0.000 2.416 1191 W HA 0.344 5.004 4.660 -0.000 0.000 0.318 1191 W C 0.361 176.917 176.519 0.063 0.000 1.150 1191 W CA -0.958 56.439 57.345 0.087 0.000 1.392 1191 W CB 0.471 29.990 29.460 0.099 0.000 1.311 1191 W HN -0.099 nan 8.180 nan 0.000 0.436 1192 L N 5.456 126.918 121.223 0.398 0.000 2.379 1192 L HA 0.603 4.943 4.340 -0.000 0.000 0.269 1192 L C -0.915 176.089 176.870 0.223 0.000 1.084 1192 L CA -0.767 54.214 54.840 0.235 0.000 0.802 1192 L CB 0.980 43.129 42.059 0.150 0.000 1.175 1192 L HN 0.306 nan 8.230 nan 0.000 0.448 1193 L N 4.714 126.003 121.223 0.109 0.000 2.457 1193 L HA 0.539 4.878 4.340 -0.000 0.000 0.266 1193 L C -0.974 175.899 176.870 0.005 0.000 0.979 1193 L CA -0.349 54.534 54.840 0.071 0.000 0.857 1193 L CB 1.059 43.143 42.059 0.042 0.000 1.213 1193 L HN 0.763 nan 8.230 nan 0.000 0.418 1194 R N 5.365 125.847 120.500 -0.029 0.000 2.338 1194 R HA 0.741 5.081 4.340 -0.000 0.000 0.317 1194 R C -1.597 174.681 176.300 -0.038 0.000 0.968 1194 R CA -0.614 55.432 56.100 -0.091 0.000 0.849 1194 R CB 0.990 31.128 30.300 -0.271 0.000 1.128 1194 R HN 0.765 nan 8.270 nan 0.000 0.448 1195 L N 4.294 125.501 121.223 -0.027 0.000 2.337 1195 L HA 0.387 4.727 4.340 -0.000 0.000 0.269 1195 L C 0.016 176.880 176.870 -0.009 0.000 1.018 1195 L CA -0.569 54.265 54.840 -0.009 0.000 0.876 1195 L CB 1.433 43.488 42.059 -0.006 0.000 1.236 1195 L HN 0.664 nan 8.230 nan 0.000 0.436 1196 E N 3.717 123.915 120.200 -0.004 0.000 2.373 1196 E HA 0.438 4.788 4.350 -0.000 0.000 0.267 1196 E C -1.079 175.519 176.600 -0.003 0.000 1.032 1196 E CA -0.323 56.076 56.400 -0.001 0.000 0.889 1196 E CB 1.004 30.708 29.700 0.006 0.000 0.984 1196 E HN 0.480 nan 8.360 nan 0.000 0.425 1197 L N 2.382 123.602 121.223 -0.006 0.000 2.303 1197 L HA 0.375 4.715 4.340 -0.000 0.000 0.266 1197 L C -0.074 176.789 176.870 -0.012 0.000 1.011 1197 L CA -1.147 53.684 54.840 -0.014 0.000 0.818 1197 L CB 1.618 43.662 42.059 -0.024 0.000 1.326 1197 L HN 0.560 nan 8.230 nan 0.000 0.435 1198 D N 0.553 120.943 120.400 -0.017 0.000 2.249 1198 D HA 0.184 4.824 4.640 -0.000 0.000 0.246 1198 D C 0.729 177.019 176.300 -0.017 0.000 1.114 1198 D CA -0.094 53.897 54.000 -0.014 0.000 0.854 1198 D CB 1.785 42.576 40.800 -0.016 0.000 1.132 1198 D HN 0.407 nan 8.370 nan 0.000 0.461 1199 R N 2.586 123.079 120.500 -0.012 0.000 2.061 1199 R HA -0.097 4.243 4.340 -0.000 0.000 0.230 1199 R C 2.059 178.349 176.300 -0.016 0.000 1.140 1199 R CA 1.527 57.619 56.100 -0.013 0.000 0.940 1199 R CB -0.267 30.029 30.300 -0.007 0.000 0.839 1199 R HN 0.574 nan 8.270 nan 0.000 0.429 1200 A N 0.678 123.490 122.820 -0.014 0.000 2.009 1200 A HA -0.229 4.091 4.320 -0.000 0.000 0.222 1200 A C 2.102 179.674 177.584 -0.020 0.000 1.175 1200 A CA 2.059 54.087 52.037 -0.016 0.000 0.651 1200 A CB -0.681 18.311 19.000 -0.013 0.000 0.815 1200 A HN 0.513 nan 8.150 nan 0.000 0.459 1201 A N -2.071 120.735 122.820 -0.022 0.000 2.251 1201 A HA 0.323 4.643 4.320 -0.000 0.000 0.209 1201 A C 1.656 179.220 177.584 -0.033 0.000 1.187 1201 A CA 0.757 52.777 52.037 -0.027 0.000 0.823 1201 A CB -0.199 18.784 19.000 -0.029 0.000 0.846 1201 A HN 0.400 nan 8.150 nan 0.000 0.486 1202 M N -0.406 119.175 119.600 -0.032 0.000 2.371 1202 M HA 0.164 4.644 4.480 -0.000 0.000 0.246 1202 M C 0.658 176.937 176.300 -0.035 0.000 1.103 1202 M CA 0.392 55.669 55.300 -0.037 0.000 1.010 1202 M CB -0.464 32.114 32.600 -0.036 0.000 1.457 1202 M HN 0.354 nan 8.290 nan 0.000 0.486 1203 N N 0.155 118.837 118.700 -0.031 0.000 2.646 1203 N HA -0.066 4.674 4.740 -0.000 0.000 0.214 1203 N C 1.286 176.776 175.510 -0.033 0.000 1.042 1203 N CA 0.485 53.517 53.050 -0.031 0.000 0.925 1203 N CB -0.067 38.404 38.487 -0.026 0.000 1.383 1203 N HN 0.281 nan 8.380 nan 0.000 0.439 1204 D N 1.541 121.923 120.400 -0.029 0.000 2.268 1204 D HA -0.203 4.437 4.640 -0.000 0.000 0.189 1204 D C -0.297 175.984 176.300 -0.032 0.000 1.010 1204 D CA 1.378 55.361 54.000 -0.028 0.000 0.862 1204 D CB 0.124 40.910 40.800 -0.023 0.000 0.943 1204 D HN 0.246 nan 8.370 nan 0.000 0.451 1205 K N 1.786 122.165 120.400 -0.035 0.000 2.419 1205 K HA 0.184 4.504 4.320 -0.000 0.000 0.244 1205 K C -0.655 175.920 176.600 -0.042 0.000 1.045 1205 K CA -0.661 55.603 56.287 -0.038 0.000 1.004 1205 K CB 1.523 33.999 32.500 -0.040 0.000 1.376 1205 K HN 0.061 nan 8.250 nan 0.000 0.460 1206 D N 2.662 123.036 120.400 -0.042 0.000 2.749 1206 D HA -0.075 4.565 4.640 -0.000 0.000 0.222 1206 D C 0.043 176.315 176.300 -0.047 0.000 1.131 1206 D CA 1.246 55.221 54.000 -0.043 0.000 0.845 1206 D CB 0.649 41.422 40.800 -0.044 0.000 1.196 1206 D HN 0.350 nan 8.370 nan 0.000 0.503 1207 L N 0.754 121.948 121.223 -0.048 0.000 2.947 1207 L HA 0.217 4.557 4.340 -0.000 0.000 0.267 1207 L C -0.826 176.009 176.870 -0.058 0.000 1.004 1207 L CA -0.602 54.203 54.840 -0.058 0.000 0.937 1207 L CB 2.439 44.458 42.059 -0.067 0.000 1.496 1207 L HN 0.242 nan 8.230 nan 0.000 0.409 1208 T N 1.316 115.825 114.554 -0.075 0.000 2.991 1208 T HA 0.285 4.635 4.350 -0.000 0.000 0.303 1208 T C 0.847 175.471 174.700 -0.127 0.000 1.015 1208 T CA -0.626 61.431 62.100 -0.073 0.000 1.007 1208 T CB 1.788 70.626 68.868 -0.051 0.000 1.034 1208 T HN 0.453 nan 8.240 nan 0.000 0.446 1209 M N 1.869 121.395 119.600 -0.123 0.000 2.345 1209 M HA -0.220 4.260 4.480 -0.000 0.000 0.253 1209 M C 2.417 178.424 176.300 -0.489 0.000 1.068 1209 M CA 2.639 57.797 55.300 -0.236 0.000 1.069 1209 M CB -1.822 30.734 32.600 -0.074 0.000 1.292 1209 M HN 0.858 nan 8.290 nan 0.000 0.430 1210 G N -0.404 108.215 108.800 -0.301 0.000 2.721 1210 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 1210 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 1210 G C 1.325 175.988 174.900 -0.396 0.000 1.265 1210 G CA 1.442 46.363 45.100 -0.299 0.000 0.796 1210 G HN 0.649 nan 8.290 nan 0.000 0.620 1211 Q N -0.237 119.430 119.800 -0.222 0.000 2.028 1211 Q HA -0.223 4.117 4.340 -0.000 0.000 0.213 1211 Q C 2.785 178.631 176.000 -0.256 0.000 1.017 1211 Q CA 2.208 57.898 55.803 -0.188 0.000 0.875 1211 Q CB -0.878 27.784 28.738 -0.127 0.000 0.962 1211 Q HN 0.343 nan 8.270 nan 0.000 0.413 1212 V N 0.726 120.476 119.914 -0.274 0.000 2.244 1212 V HA -0.362 3.757 4.120 -0.000 0.000 0.248 1212 V C 2.257 178.151 176.094 -0.334 0.000 1.038 1212 V CA 2.319 64.460 62.300 -0.265 0.000 1.026 1212 V CB -1.621 30.051 31.823 -0.251 0.000 0.660 1212 V HN 0.714 nan 8.190 nan 0.000 0.472 1213 G N -1.032 107.435 108.800 -0.556 0.000 2.553 1213 G HA2 -0.320 3.639 3.960 -0.000 0.000 0.218 1213 G HA3 -0.320 3.639 3.960 -0.000 0.000 0.218 1213 G C 1.410 176.033 174.900 -0.461 0.000 1.195 1213 G CA 1.077 45.817 45.100 -0.600 0.000 0.779 1213 G HN 0.555 nan 8.290 nan 0.000 0.577 1214 E N 0.060 119.904 120.200 -0.592 0.000 2.233 1214 E HA -0.266 4.084 4.350 -0.000 0.000 0.210 1214 E C 2.579 179.107 176.600 -0.119 0.000 1.046 1214 E CA 1.536 57.790 56.400 -0.243 0.000 0.844 1214 E CB -0.134 29.457 29.700 -0.182 0.000 0.741 1214 E HN 0.282 nan 8.360 nan 0.000 0.465 1215 R N 0.574 120.991 120.500 -0.139 0.000 2.057 1215 R HA 0.007 4.347 4.340 -0.000 0.000 0.229 1215 R C 2.453 178.735 176.300 -0.030 0.000 1.136 1215 R CA 1.034 57.089 56.100 -0.075 0.000 0.952 1215 R CB -0.741 29.509 30.300 -0.084 0.000 0.848 1215 R HN 0.170 nan 8.270 nan 0.000 0.430 1216 I N 0.691 121.246 120.570 -0.025 0.000 2.185 1216 I HA -0.372 3.798 4.170 -0.000 0.000 0.246 1216 I C 2.384 178.611 176.117 0.183 0.000 1.088 1216 I CA 1.744 63.100 61.300 0.093 0.000 1.347 1216 I CB -0.420 37.626 38.000 0.075 0.000 1.041 1216 I HN 0.203 nan 8.210 nan 0.000 0.415 1217 K N 1.233 121.694 120.400 0.101 0.000 2.002 1217 K HA -0.218 4.102 4.320 -0.000 0.000 0.209 1217 K C 2.050 178.729 176.600 0.132 0.000 1.048 1217 K CA 1.689 58.058 56.287 0.137 0.000 0.930 1217 K CB -0.107 32.469 32.500 0.126 0.000 0.714 1217 K HN 0.499 nan 8.250 nan 0.000 0.438 1218 Q N -0.604 119.238 119.800 0.070 0.000 2.431 1218 Q HA 0.000 4.340 4.340 -0.000 0.000 0.210 1218 Q C 0.598 176.606 176.000 0.013 0.000 0.958 1218 Q CA 0.875 56.705 55.803 0.044 0.000 0.957 1218 Q CB 0.421 29.170 28.738 0.018 0.000 1.007 1218 Q HN 0.136 nan 8.270 nan 0.000 0.511 1219 T N -0.286 114.280 114.554 0.019 0.000 2.953 1219 T HA 0.091 4.441 4.350 -0.000 0.000 0.247 1219 T C 0.703 175.256 174.700 -0.245 0.000 1.029 1219 T CA 0.669 62.684 62.100 -0.141 0.000 1.144 1219 T CB -0.030 68.714 68.868 -0.208 0.000 0.870 1219 T HN 0.331 nan 8.240 nan 0.000 0.446 1220 F N 0.737 120.696 119.950 0.015 0.000 2.622 1220 F HA 0.426 4.953 4.527 -0.000 0.000 0.288 1220 F C 1.160 176.977 175.800 0.029 0.000 1.120 1220 F CA -0.381 57.633 58.000 0.024 0.000 1.423 1220 F CB 0.006 39.025 39.000 0.031 0.000 1.127 1220 F HN -0.047 nan 8.300 nan 0.000 0.588 1221 K N -0.236 120.296 120.400 0.221 0.000 2.768 1221 K HA -0.282 4.038 4.320 -0.000 0.000 0.347 1221 K C -0.595 176.088 176.600 0.138 0.000 1.714 1221 K CA 0.928 57.299 56.287 0.140 0.000 0.617 1221 K CB -1.236 31.320 32.500 0.094 0.000 0.986 1221 K HN 0.027 nan 8.250 nan 0.000 0.668 1222 N N 2.981 121.745 118.700 0.107 0.000 2.671 1222 N HA 0.092 4.832 4.740 -0.000 0.000 0.274 1222 N C -1.024 174.544 175.510 0.097 0.000 1.188 1222 N CA 0.931 54.039 53.050 0.097 0.000 1.065 1222 N CB -0.059 38.472 38.487 0.073 0.000 1.415 1222 N HN 0.526 nan 8.380 nan 0.000 0.511 1223 D N 0.713 121.178 120.400 0.109 0.000 4.613 1223 D HA -0.008 4.632 4.640 -0.000 0.000 0.154 1223 D C -0.915 175.427 176.300 0.070 0.000 1.041 1223 D CA -0.461 53.594 54.000 0.092 0.000 0.829 1223 D CB -1.110 39.746 40.800 0.094 0.000 1.476 1223 D HN 0.210 nan 8.370 nan 0.000 0.757 1224 L N 0.555 121.823 121.223 0.075 0.000 4.078 1224 L HA 0.419 4.759 4.340 -0.000 0.000 0.259 1224 L C -2.209 174.718 176.870 0.096 0.000 1.029 1224 L CA -0.620 54.232 54.840 0.020 0.000 1.313 1224 L CB 0.768 42.726 42.059 -0.168 0.000 2.018 1224 L HN 0.034 nan 8.230 nan 0.000 0.667 1225 F N 5.469 125.399 119.950 -0.033 0.000 2.456 1225 F HA 0.719 5.246 4.527 -0.000 0.000 0.358 1225 F C -0.193 175.590 175.800 -0.028 0.000 1.095 1225 F CA 0.142 58.125 58.000 -0.028 0.000 1.216 1225 F CB 0.904 39.883 39.000 -0.036 0.000 1.125 1225 F HN 0.285 nan 8.300 nan 0.000 0.549 1226 V N 6.822 126.367 119.914 -0.615 0.000 2.914 1226 V HA 0.618 4.738 4.120 -0.000 0.000 0.314 1226 V C -0.127 175.568 176.094 -0.665 0.000 1.084 1226 V CA -0.886 61.167 62.300 -0.412 0.000 0.963 1226 V CB 2.001 33.796 31.823 -0.047 0.000 1.025 1226 V HN 0.692 nan 8.190 nan 0.000 0.432 1227 I N 1.067 121.396 120.570 -0.400 0.000 3.352 1227 I HA 0.755 4.925 4.170 -0.000 0.000 0.316 1227 I C -1.814 174.215 176.117 -0.147 0.000 1.214 1227 I CA -0.626 60.223 61.300 -0.752 0.000 0.934 1227 I CB 2.737 40.226 38.000 -0.852 0.000 1.310 1227 I HN 0.933 nan 8.210 nan 0.000 0.475 1228 W N 0.631 121.739 121.300 -0.320 0.000 3.954 1228 W HA 0.543 5.203 4.660 -0.000 0.000 0.268 1228 W C -0.702 175.857 176.519 0.068 0.000 1.285 1228 W CA -0.840 56.457 57.345 -0.079 0.000 1.240 1228 W CB -0.521 28.906 29.460 -0.056 0.000 1.247 1228 W HN 0.627 nan 8.180 nan 0.000 0.553 1229 S N 0.839 116.701 115.700 0.271 0.000 2.658 1229 S HA 0.343 4.813 4.470 -0.000 0.000 0.249 1229 S C -0.117 174.636 174.600 0.254 0.000 1.363 1229 S CA 0.015 58.335 58.200 0.199 0.000 0.964 1229 S CB 0.737 64.010 63.200 0.122 0.000 0.973 1229 S HN 0.630 nan 8.310 nan 0.000 0.588 1230 E N -0.288 120.004 120.200 0.153 0.000 2.207 1230 E HA 0.233 4.583 4.350 -0.000 0.000 0.270 1230 E C -0.075 176.577 176.600 0.088 0.000 0.927 1230 E CA -0.675 55.805 56.400 0.133 0.000 0.799 1230 E CB 1.108 30.857 29.700 0.081 0.000 1.172 1230 E HN 0.581 nan 8.360 nan 0.000 0.404 1231 D N 1.393 121.838 120.400 0.075 0.000 2.424 1231 D HA -0.202 4.438 4.640 -0.000 0.000 0.221 1231 D C 0.797 177.115 176.300 0.030 0.000 0.978 1231 D CA 0.970 54.995 54.000 0.042 0.000 0.971 1231 D CB 0.227 41.044 40.800 0.029 0.000 0.869 1231 D HN 0.332 nan 8.370 nan 0.000 0.506 1232 N N 0.677 119.398 118.700 0.034 0.000 2.322 1232 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 1232 N C -0.107 175.418 175.510 0.024 0.000 1.088 1232 N CA -0.009 53.055 53.050 0.023 0.000 0.885 1232 N CB 0.623 39.122 38.487 0.020 0.000 1.013 1232 N HN 0.055 nan 8.380 nan 0.000 0.472 1233 D N 1.448 121.867 120.400 0.032 0.000 2.455 1233 D HA -0.077 4.563 4.640 -0.000 0.000 0.241 1233 D C 1.172 177.486 176.300 0.023 0.000 1.138 1233 D CA 0.235 54.253 54.000 0.030 0.000 0.877 1233 D CB 1.062 41.886 40.800 0.040 0.000 1.187 1233 D HN 0.450 nan 8.370 nan 0.000 0.451 1234 E N 1.765 121.976 120.200 0.018 0.000 2.401 1234 E HA -0.149 4.201 4.350 -0.000 0.000 0.199 1234 E C -0.125 176.484 176.600 0.015 0.000 1.023 1234 E CA 1.009 57.417 56.400 0.014 0.000 0.859 1234 E CB 0.269 29.976 29.700 0.012 0.000 0.780 1234 E HN 0.200 nan 8.360 nan 0.000 0.523 1235 K N 1.165 121.576 120.400 0.019 0.000 2.579 1235 K HA 0.327 4.647 4.320 -0.000 0.000 0.250 1235 K C -1.080 175.535 176.600 0.025 0.000 0.952 1235 K CA -0.517 55.781 56.287 0.018 0.000 0.857 1235 K CB 1.677 34.187 32.500 0.016 0.000 1.123 1235 K HN 0.027 nan 8.250 nan 0.000 0.433 1236 L N 4.360 125.597 121.223 0.023 0.000 2.395 1236 L HA 0.565 4.905 4.340 -0.000 0.000 0.269 1236 L C 0.245 177.132 176.870 0.029 0.000 1.133 1236 L CA -0.331 54.528 54.840 0.033 0.000 0.812 1236 L CB 0.284 42.354 42.059 0.018 0.000 1.125 1236 L HN 0.470 nan 8.230 nan 0.000 0.452 1237 I N 1.704 122.303 120.570 0.048 0.000 3.229 1237 I HA 0.460 4.629 4.170 -0.000 0.000 0.313 1237 I C -1.134 175.020 176.117 0.062 0.000 1.317 1237 I CA -0.616 60.704 61.300 0.032 0.000 0.940 1237 I CB 2.868 40.875 38.000 0.011 0.000 1.315 1237 I HN 0.430 nan 8.210 nan 0.000 0.484 1238 I N 2.266 122.854 120.570 0.031 0.000 2.599 1238 I HA 0.335 4.505 4.170 -0.000 0.000 0.285 1238 I C -0.825 175.290 176.117 -0.004 0.000 1.168 1238 I CA -0.382 60.947 61.300 0.048 0.000 1.060 1238 I CB 1.858 39.876 38.000 0.031 0.000 1.249 1238 I HN 0.469 nan 8.210 nan 0.000 0.442 1239 R N 4.412 124.895 120.500 -0.028 0.000 2.643 1239 R HA 0.900 5.240 4.340 -0.000 0.000 0.272 1239 R C -0.948 175.319 176.300 -0.055 0.000 0.995 1239 R CA -0.549 55.520 56.100 -0.052 0.000 1.032 1239 R CB 2.010 32.273 30.300 -0.062 0.000 1.126 1239 R HN 0.781 nan 8.270 nan 0.000 0.505 1240 C N -0.795 118.493 119.300 -0.020 0.000 3.249 1240 C HA 0.506 4.966 4.460 -0.000 0.000 0.358 1240 C C -1.065 173.955 174.990 0.051 0.000 1.187 1240 C CA -1.368 57.646 59.018 -0.006 0.000 1.170 1240 C CB 1.255 28.963 27.740 -0.054 0.000 1.478 1240 C HN 0.929 nan 8.230 nan 0.000 0.508 1241 R N 1.199 121.757 120.500 0.097 0.000 2.888 1241 R HA 0.850 5.190 4.340 -0.000 0.000 0.264 1241 R C 0.172 176.523 176.300 0.086 0.000 1.045 1241 R CA -0.692 55.475 56.100 0.112 0.000 0.962 1241 R CB 1.606 31.984 30.300 0.130 0.000 1.210 1241 R HN 0.621 nan 8.270 nan 0.000 0.479 1242 V N 0.097 120.066 119.914 0.091 0.000 4.373 1242 V HA 0.334 4.454 4.120 -0.000 0.000 0.261 1242 V C 0.623 176.757 176.094 0.067 0.000 0.886 1242 V CA 0.032 62.370 62.300 0.063 0.000 0.736 1242 V CB 0.054 31.931 31.823 0.090 0.000 1.107 1242 V HN 0.611 nan 8.190 nan 0.000 0.347 1255 E N 0.461 120.706 120.200 0.075 0.000 4.675 1255 E HA -0.156 4.194 4.350 -0.000 0.000 0.163 1255 E C 0.310 176.960 176.600 0.084 0.000 1.720 1255 E CA 0.788 57.230 56.400 0.070 0.000 1.052 1255 E CB -0.269 29.443 29.700 0.020 0.000 1.047 1255 E HN 0.704 nan 8.360 nan 0.000 0.344 1256 E N 1.451 121.720 120.200 0.116 0.000 2.201 1256 E HA -0.062 4.288 4.350 -0.000 0.000 0.193 1256 E C 1.050 177.604 176.600 -0.077 0.000 0.957 1256 E CA 0.222 56.695 56.400 0.120 0.000 0.858 1256 E CB 0.182 30.133 29.700 0.417 0.000 0.816 1256 E HN 0.428 nan 8.360 nan 0.000 0.475 1257 D N 0.910 121.130 120.400 -0.301 0.000 2.092 1257 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 1257 D C 1.921 178.115 176.300 -0.176 0.000 0.994 1257 D CA 1.076 54.810 54.000 -0.443 0.000 0.828 1257 D CB -0.286 40.196 40.800 -0.530 0.000 0.963 1257 D HN 0.212 nan 8.370 nan 0.000 0.450 1258 H N 0.816 119.796 119.070 -0.149 0.000 2.289 1258 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 1258 H C 2.136 177.432 175.328 -0.055 0.000 1.091 1258 H CA 1.343 57.340 56.048 -0.084 0.000 1.274 1258 H CB -0.360 29.371 29.762 -0.051 0.000 1.364 1258 H HN 0.122 nan 8.280 nan 0.000 0.490 1259 M N 0.198 119.894 119.600 0.160 0.000 2.296 1259 M HA -0.117 4.363 4.480 -0.000 0.000 0.265 1259 M C 0.923 177.250 176.300 0.045 0.000 1.064 1259 M CA 0.603 55.969 55.300 0.111 0.000 1.109 1259 M CB 0.104 32.753 32.600 0.082 0.000 1.396 1259 M HN 0.105 nan 8.290 nan 0.000 0.430 1260 L N 0.715 121.935 121.223 -0.005 0.000 2.939 1260 L HA 0.160 4.500 4.340 -0.000 0.000 0.239 1260 L C 0.576 177.413 176.870 -0.054 0.000 1.325 1260 L CA 0.865 55.686 54.840 -0.031 0.000 1.170 1260 L CB -0.876 41.158 42.059 -0.042 0.000 1.538 1260 L HN 0.163 nan 8.230 nan 0.000 0.452 1261 K N -1.594 118.782 120.400 -0.040 0.000 2.726 1261 K HA 0.134 4.454 4.320 -0.000 0.000 0.189 1261 K C 1.572 178.162 176.600 -0.016 0.000 1.691 1261 K CA 0.009 56.263 56.287 -0.055 0.000 1.250 1261 K CB 0.561 32.987 32.500 -0.124 0.000 1.705 1261 K HN 0.148 nan 8.250 nan 0.000 0.606 1262 K N 0.923 121.331 120.400 0.013 0.000 2.097 1262 K HA 0.024 4.344 4.320 -0.000 0.000 0.206 1262 K C 1.506 178.156 176.600 0.083 0.000 1.049 1262 K CA 1.225 57.543 56.287 0.052 0.000 0.933 1262 K CB 0.072 32.624 32.500 0.087 0.000 0.717 1262 K HN 0.138 nan 8.250 nan 0.000 0.442 1263 I N 1.136 121.756 120.570 0.083 0.000 3.564 1263 I HA -0.099 4.071 4.170 -0.000 0.000 0.294 1263 I C 2.076 178.242 176.117 0.083 0.000 1.289 1263 I CA 0.422 61.795 61.300 0.121 0.000 1.325 1263 I CB -0.070 37.932 38.000 0.003 0.000 1.039 1263 I HN 0.181 nan 8.210 nan 0.000 0.474 1264 E N 1.487 121.715 120.200 0.046 0.000 2.140 1264 E HA -0.111 4.238 4.350 -0.000 0.000 0.191 1264 E C 1.717 178.344 176.600 0.045 0.000 0.973 1264 E CA 1.208 57.626 56.400 0.030 0.000 0.829 1264 E CB -0.007 29.693 29.700 -0.000 0.000 0.781 1264 E HN 0.284 nan 8.360 nan 0.000 0.466 1265 N N -0.007 118.721 118.700 0.046 0.000 2.197 1265 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 1265 N C 1.537 177.083 175.510 0.060 0.000 1.030 1265 N CA 1.816 54.890 53.050 0.040 0.000 0.851 1265 N CB -0.750 37.753 38.487 0.027 0.000 1.003 1265 N HN 0.180 nan 8.380 nan 0.000 0.430 1266 T N 1.510 116.117 114.554 0.089 0.000 2.946 1266 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 1266 T C 1.647 176.420 174.700 0.122 0.000 1.129 1266 T CA 0.871 63.028 62.100 0.096 0.000 1.103 1266 T CB -0.045 68.915 68.868 0.154 0.000 0.839 1266 T HN 0.228 nan 8.240 nan 0.000 0.544 1267 M N -0.600 119.092 119.600 0.154 0.000 2.465 1267 M HA 0.273 4.752 4.480 -0.000 0.000 0.249 1267 M C 1.421 177.761 176.300 0.065 0.000 1.130 1267 M CA 0.598 55.991 55.300 0.156 0.000 1.067 1267 M CB 0.258 32.957 32.600 0.165 0.000 1.394 1267 M HN 0.268 nan 8.290 nan 0.000 0.483 1268 L N -1.202 120.045 121.223 0.040 0.000 2.467 1268 L HA 0.064 4.403 4.340 -0.000 0.000 0.213 1268 L C 1.500 178.368 176.870 -0.003 0.000 1.053 1268 L CA 0.589 55.436 54.840 0.011 0.000 0.847 1268 L CB 0.137 42.201 42.059 0.009 0.000 1.075 1268 L HN 0.192 nan 8.230 nan 0.000 0.479 1269 E N -0.580 119.623 120.200 0.006 0.000 2.473 1269 E HA 0.085 4.435 4.350 -0.000 0.000 0.204 1269 E C 0.701 177.308 176.600 0.011 0.000 0.994 1269 E CA -0.050 56.353 56.400 0.006 0.000 0.945 1269 E CB 0.516 30.223 29.700 0.010 0.000 0.990 1269 E HN 0.287 nan 8.360 nan 0.000 0.493 1270 N N 0.605 119.305 118.700 -0.001 0.000 2.187 1270 N HA 0.183 4.923 4.740 -0.000 0.000 0.212 1270 N C -0.456 175.036 175.510 -0.029 0.000 1.152 1270 N CA 0.108 53.150 53.050 -0.014 0.000 0.872 1270 N CB 1.296 39.761 38.487 -0.037 0.000 1.025 1270 N HN 0.113 nan 8.380 nan 0.000 0.514 1271 I N 1.314 121.870 120.570 -0.024 0.000 2.339 1271 I HA 0.160 4.330 4.170 -0.000 0.000 0.290 1271 I C -0.305 175.794 176.117 -0.031 0.000 0.994 1271 I CA -0.080 61.198 61.300 -0.036 0.000 1.191 1271 I CB 1.265 39.247 38.000 -0.029 0.000 1.343 1271 I HN -0.174 nan 8.210 nan 0.000 0.458 1272 T N 6.756 121.302 114.554 -0.013 0.000 2.943 1272 T HA 0.465 4.815 4.350 -0.000 0.000 0.284 1272 T C 0.356 175.036 174.700 -0.033 0.000 1.015 1272 T CA -0.451 61.651 62.100 0.002 0.000 1.042 1272 T CB 2.266 71.188 68.868 0.091 0.000 1.055 1272 T HN 0.329 nan 8.240 nan 0.000 0.500 1273 L N 0.279 121.474 121.223 -0.046 0.000 3.223 1273 L HA 0.512 4.851 4.340 -0.000 0.000 0.168 1273 L C 0.586 177.436 176.870 -0.033 0.000 1.239 1273 L CA 0.360 55.167 54.840 -0.055 0.000 0.856 1273 L CB -0.024 41.988 42.059 -0.078 0.000 1.415 1273 L HN 0.379 nan 8.230 nan 0.000 0.562 1274 R N -0.747 119.736 120.500 -0.029 0.000 2.532 1274 R HA 0.589 4.929 4.340 -0.000 0.000 0.297 1274 R C -0.889 175.424 176.300 0.023 0.000 0.984 1274 R CA 0.135 56.228 56.100 -0.011 0.000 0.884 1274 R CB 1.671 31.954 30.300 -0.029 0.000 1.182 1274 R HN 0.431 nan 8.270 nan 0.000 0.442 1275 G N 0.808 109.635 108.800 0.044 0.000 2.347 1275 G HA2 0.042 4.002 3.960 -0.000 0.000 0.341 1275 G HA3 0.042 4.002 3.960 -0.000 0.000 0.341 1275 G C -1.752 173.193 174.900 0.075 0.000 1.287 1275 G CA -0.738 44.407 45.100 0.075 0.000 0.984 1275 G HN 0.449 nan 8.290 nan 0.000 0.526 1276 V N 0.356 120.292 119.914 0.037 0.000 2.628 1276 V HA 0.652 4.772 4.120 -0.000 0.000 0.306 1276 V C 0.678 176.626 176.094 -0.243 0.000 1.045 1276 V CA -0.344 61.917 62.300 -0.066 0.000 0.905 1276 V CB 1.445 33.235 31.823 -0.056 0.000 0.997 1276 V HN 1.171 nan 8.190 nan 0.000 0.436 1277 E N 3.300 123.267 120.200 -0.388 0.000 2.409 1277 E HA 0.168 4.518 4.350 -0.000 0.000 0.257 1277 E C 0.340 176.735 176.600 -0.342 0.000 1.150 1277 E CA -0.028 55.981 56.400 -0.652 0.000 0.942 1277 E CB 0.205 29.648 29.700 -0.430 0.000 0.979 1277 E HN 0.642 nan 8.360 nan 0.000 0.447 1278 N N -0.300 118.229 118.700 -0.285 0.000 2.631 1278 N HA -0.233 4.507 4.740 -0.000 0.000 0.218 1278 N C -0.013 175.461 175.510 -0.059 0.000 0.972 1278 N CA 1.860 54.840 53.050 -0.117 0.000 1.918 1278 N CB -1.316 37.113 38.487 -0.098 0.000 0.895 1278 N HN 0.625 nan 8.380 nan 0.000 0.540 1279 I N 3.258 123.790 120.570 -0.063 0.000 2.455 1279 I HA -0.009 4.161 4.170 -0.000 0.000 0.303 1279 I C 1.296 177.438 176.117 0.043 0.000 1.180 1279 I CA 0.498 61.791 61.300 -0.011 0.000 1.469 1279 I CB -0.197 37.795 38.000 -0.013 0.000 1.480 1279 I HN 0.145 nan 8.210 nan 0.000 0.669 1280 E N 5.586 125.809 120.200 0.038 0.000 4.517 1280 E HA 0.232 4.582 4.350 -0.000 0.000 0.408 1280 E C 0.334 176.949 176.600 0.024 0.000 1.456 1280 E CA -0.799 55.631 56.400 0.050 0.000 2.449 1280 E CB 0.353 30.073 29.700 0.033 0.000 1.556 1280 E HN 0.448 nan 8.360 nan 0.000 0.781 1281 R N -0.375 120.131 120.500 0.011 0.000 2.411 1281 R HA -0.084 4.256 4.340 -0.000 0.000 0.283 1281 R C -0.746 175.553 176.300 -0.001 0.000 0.968 1281 R CA 0.292 56.393 56.100 0.002 0.000 1.070 1281 R CB -0.210 30.088 30.300 -0.005 0.000 0.833 1281 R HN 0.124 nan 8.270 nan 0.000 0.431 1282 V N 1.497 121.410 119.914 -0.002 0.000 3.077 1282 V HA 0.520 4.639 4.120 -0.000 0.000 0.299 1282 V C -0.706 175.386 176.094 -0.003 0.000 1.276 1282 V CA -0.795 61.501 62.300 -0.007 0.000 0.993 1282 V CB 2.629 34.448 31.823 -0.007 0.000 1.076 1282 V HN 0.551 nan 8.190 nan 0.000 0.434 1283 V N 2.619 122.529 119.914 -0.006 0.000 3.206 1283 V HA 0.582 4.702 4.120 -0.000 0.000 0.305 1283 V C -0.692 175.407 176.094 0.007 0.000 1.257 1283 V CA -0.904 61.402 62.300 0.009 0.000 1.057 1283 V CB 2.343 34.177 31.823 0.017 0.000 1.075 1283 V HN 0.844 nan 8.190 nan 0.000 0.443 1284 M N 2.897 122.534 119.600 0.063 0.000 2.318 1284 M HA 0.716 5.195 4.480 -0.000 0.000 0.347 1284 M C -0.923 175.419 176.300 0.069 0.000 1.175 1284 M CA -0.166 55.219 55.300 0.142 0.000 1.075 1284 M CB 1.485 34.285 32.600 0.332 0.000 1.614 1284 M HN 0.396 nan 8.290 nan 0.000 0.456 1285 M N 1.935 121.462 119.600 -0.122 0.000 2.484 1285 M HA 0.355 4.835 4.480 -0.000 0.000 0.289 1285 M C -1.098 174.782 176.300 -0.700 0.000 1.206 1285 M CA -0.570 54.499 55.300 -0.386 0.000 0.892 1285 M CB 2.560 34.930 32.600 -0.384 0.000 1.712 1285 M HN 0.608 nan 8.290 nan 0.000 0.462 1286 K N 2.450 122.397 120.400 -0.756 0.000 2.244 1286 K HA 0.393 4.713 4.320 -0.000 0.000 0.263 1286 K C -1.282 175.184 176.600 -0.224 0.000 1.103 1286 K CA -0.034 55.777 56.287 -0.794 0.000 0.966 1286 K CB 0.363 32.317 32.500 -0.910 0.000 1.429 1286 K HN 0.560 nan 8.250 nan 0.000 0.434 1287 Y N 1.312 121.479 120.300 -0.220 0.000 2.301 1287 Y HA 0.065 4.615 4.550 -0.000 0.000 0.328 1287 Y C 0.544 176.408 175.900 -0.060 0.000 1.242 1287 Y CA -1.034 57.015 58.100 -0.086 0.000 1.323 1287 Y CB 0.976 39.445 38.460 0.016 0.000 1.266 1287 Y HN 0.394 nan 8.280 nan 0.000 0.527 1288 D N 3.368 123.846 120.400 0.130 0.000 2.443 1288 D HA 0.152 4.792 4.640 -0.000 0.000 0.221 1288 D C -0.344 176.004 176.300 0.080 0.000 1.097 1288 D CA -0.234 53.807 54.000 0.068 0.000 0.865 1288 D CB 1.120 41.939 40.800 0.031 0.000 1.034 1288 D HN 0.367 nan 8.370 nan 0.000 0.511 1289 R N 1.955 122.513 120.500 0.096 0.000 2.500 1289 R HA 0.310 4.650 4.340 -0.000 0.000 0.277 1289 R C -0.287 176.061 176.300 0.081 0.000 1.026 1289 R CA -0.530 55.625 56.100 0.092 0.000 1.058 1289 R CB 1.246 31.606 30.300 0.101 0.000 1.078 1289 R HN 0.145 nan 8.270 nan 0.000 0.509 1290 K N 2.163 122.624 120.400 0.101 0.000 2.182 1290 K HA 0.508 4.828 4.320 -0.000 0.000 0.262 1290 K C -1.382 175.312 176.600 0.157 0.000 0.957 1290 K CA -0.751 55.627 56.287 0.152 0.000 0.842 1290 K CB 2.184 34.807 32.500 0.206 0.000 1.099 1290 K HN 0.250 nan 8.250 nan 0.000 0.438 1291 V N 3.535 123.483 119.914 0.057 0.000 3.147 1291 V HA 0.229 4.349 4.120 -0.000 0.000 0.299 1291 V C -2.594 173.266 176.094 -0.390 0.000 1.302 1291 V CA -2.151 60.067 62.300 -0.136 0.000 1.015 1291 V CB 2.504 34.284 31.823 -0.071 0.000 1.086 1291 V HN 0.630 nan 8.190 nan 0.000 0.437 1292 P HA 0.036 nan 4.420 nan 0.000 0.253 1292 P C -0.235 176.901 177.300 -0.273 0.000 1.170 1292 P CA 0.799 63.578 63.100 -0.536 0.000 0.806 1292 P CB 0.202 31.673 31.700 -0.381 0.000 0.775 1293 S N 5.844 121.414 115.700 -0.216 0.000 2.593 1293 S HA 0.185 4.655 4.470 -0.000 0.000 0.269 1293 S C -0.806 173.737 174.600 -0.096 0.000 1.334 1293 S CA -1.307 56.825 58.200 -0.112 0.000 1.015 1293 S CB -0.032 63.128 63.200 -0.067 0.000 0.912 1293 S HN 0.297 nan 8.310 nan 0.000 0.541 1294 P HA -0.085 nan 4.420 nan 0.000 0.218 1294 P C 1.392 178.663 177.300 -0.049 0.000 1.149 1294 P CA 1.404 64.471 63.100 -0.056 0.000 0.817 1294 P CB -0.433 31.243 31.700 -0.039 0.000 0.785 1295 T N -2.787 111.744 114.554 -0.037 0.000 3.072 1295 T HA 0.178 4.528 4.350 -0.000 0.000 0.266 1295 T C 1.456 176.141 174.700 -0.026 0.000 1.127 1295 T CA 1.770 63.856 62.100 -0.023 0.000 1.107 1295 T CB -0.683 68.180 68.868 -0.007 0.000 0.910 1295 T HN 0.321 nan 8.240 nan 0.000 0.513 1296 G N 0.589 109.359 108.800 -0.050 0.000 2.491 1296 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.203 1296 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.203 1296 G C -0.037 174.845 174.900 -0.030 0.000 1.052 1296 G CA -0.062 45.007 45.100 -0.052 0.000 0.675 1296 G HN 0.661 nan 8.290 nan 0.000 0.504 1297 E N -0.158 120.046 120.200 0.006 0.000 2.468 1297 E HA 0.326 4.676 4.350 -0.000 0.000 0.263 1297 E C -0.603 176.019 176.600 0.037 0.000 1.192 1297 E CA 0.174 56.609 56.400 0.058 0.000 1.016 1297 E CB 0.527 30.255 29.700 0.048 0.000 0.980 1297 E HN 0.372 nan 8.360 nan 0.000 0.467 1298 Y N -0.046 120.259 120.300 0.009 0.000 2.341 1298 Y HA 0.375 4.924 4.550 -0.000 0.000 0.337 1298 Y C -0.295 175.611 175.900 0.010 0.000 1.014 1298 Y CA -0.456 57.650 58.100 0.009 0.000 1.111 1298 Y CB 1.278 39.747 38.460 0.015 0.000 1.194 1298 Y HN 0.171 nan 8.280 nan 0.000 0.462 1299 V N 2.970 122.935 119.914 0.084 0.000 3.130 1299 V HA 0.399 4.519 4.120 -0.000 0.000 0.310 1299 V C -1.235 174.899 176.094 0.066 0.000 1.158 1299 V CA -1.891 60.450 62.300 0.068 0.000 1.029 1299 V CB 2.339 34.178 31.823 0.026 0.000 1.057 1299 V HN 0.558 nan 8.190 nan 0.000 0.436 1300 K N 1.400 121.834 120.400 0.056 0.000 2.250 1300 K HA 0.414 4.734 4.320 -0.000 0.000 0.285 1300 K C -0.306 176.317 176.600 0.038 0.000 1.097 1300 K CA 0.003 56.320 56.287 0.050 0.000 0.913 1300 K CB 0.921 33.446 32.500 0.042 0.000 1.179 1300 K HN 0.688 nan 8.250 nan 0.000 0.462 1301 E N 4.776 125.000 120.200 0.040 0.000 2.731 1301 E HA 0.129 4.479 4.350 -0.000 0.000 0.220 1301 E C -2.073 174.557 176.600 0.050 0.000 1.087 1301 E CA -2.443 53.979 56.400 0.037 0.000 1.020 1301 E CB 0.468 30.182 29.700 0.024 0.000 1.339 1301 E HN 0.436 nan 8.360 nan 0.000 0.444 1302 P HA -0.160 nan 4.420 nan 0.000 0.269 1302 P C -0.674 176.656 177.300 0.049 0.000 1.185 1302 P CA 0.790 63.908 63.100 0.031 0.000 0.769 1302 P CB 0.493 32.185 31.700 -0.012 0.000 0.809 1303 E N 0.301 120.520 120.200 0.031 0.000 2.390 1303 E HA 0.464 4.814 4.350 -0.000 0.000 0.277 1303 E C -1.606 174.966 176.600 -0.047 0.000 0.939 1303 E CA -1.011 55.440 56.400 0.086 0.000 0.769 1303 E CB 0.710 30.508 29.700 0.163 0.000 1.251 1303 E HN 0.233 nan 8.360 nan 0.000 0.450 1304 W N 1.632 122.920 121.300 -0.020 0.000 2.316 1304 W HA 0.569 5.229 4.660 -0.000 0.000 0.321 1304 W C -0.628 175.783 176.519 -0.179 0.000 1.203 1304 W CA -0.137 57.144 57.345 -0.108 0.000 1.214 1304 W CB 1.674 31.092 29.460 -0.069 0.000 1.169 1304 W HN 0.344 nan 8.180 nan 0.000 0.561 1305 V N 3.701 123.519 119.914 -0.160 0.000 3.087 1305 V HA 0.421 4.541 4.120 -0.000 0.000 0.306 1305 V C -0.587 175.348 176.094 -0.265 0.000 1.187 1305 V CA -1.337 60.782 62.300 -0.301 0.000 0.999 1305 V CB 1.974 33.398 31.823 -0.664 0.000 1.049 1305 V HN 0.264 nan 8.190 nan 0.000 0.431 1306 L N 2.341 123.445 121.223 -0.197 0.000 2.295 1306 L HA 0.639 4.979 4.340 -0.000 0.000 0.285 1306 L C -0.208 176.583 176.870 -0.130 0.000 1.035 1306 L CA -0.402 54.366 54.840 -0.120 0.000 0.806 1306 L CB 1.351 43.374 42.059 -0.060 0.000 1.214 1306 L HN 0.619 nan 8.230 nan 0.000 0.426 1307 E N 1.652 121.802 120.200 -0.083 0.000 2.129 1307 E HA 0.245 4.595 4.350 -0.000 0.000 0.268 1307 E C -0.136 176.446 176.600 -0.029 0.000 0.900 1307 E CA -0.381 55.993 56.400 -0.043 0.000 0.755 1307 E CB 2.268 31.960 29.700 -0.015 0.000 1.117 1307 E HN 0.570 nan 8.360 nan 0.000 0.410 1308 T N 1.248 115.788 114.554 -0.024 0.000 4.339 1308 T HA -0.080 4.270 4.350 -0.000 0.000 0.431 1308 T C 0.379 175.067 174.700 -0.021 0.000 1.117 1308 T CA 0.689 62.777 62.100 -0.021 0.000 1.020 1308 T CB 0.161 69.016 68.868 -0.023 0.000 1.522 1308 T HN 0.640 nan 8.240 nan 0.000 0.494 1309 D N -0.965 119.422 120.400 -0.021 0.000 4.090 1309 D HA 0.177 4.817 4.640 -0.000 0.000 0.202 1309 D C -0.345 175.942 176.300 -0.021 0.000 0.953 1309 D CA 0.477 54.463 54.000 -0.023 0.000 0.737 1309 D CB -0.543 40.245 40.800 -0.021 0.000 1.711 1309 D HN 0.837 nan 8.370 nan 0.000 0.406 1310 G N -0.394 108.390 108.800 -0.026 0.000 2.466 1310 G HA2 0.501 4.461 3.960 -0.000 0.000 0.291 1310 G HA3 0.501 4.461 3.960 -0.000 0.000 0.291 1310 G C -1.875 173.001 174.900 -0.040 0.000 1.460 1310 G CA -0.333 44.749 45.100 -0.030 0.000 0.791 1310 G HN 0.075 nan 8.290 nan 0.000 0.505 1311 V N 1.265 121.150 119.914 -0.049 0.000 2.697 1311 V HA 0.604 4.724 4.120 -0.000 0.000 0.300 1311 V C -1.023 175.035 176.094 -0.059 0.000 1.115 1311 V CA -0.922 61.345 62.300 -0.055 0.000 0.912 1311 V CB 2.088 33.871 31.823 -0.067 0.000 1.024 1311 V HN 0.802 nan 8.190 nan 0.000 0.431 1312 N N 4.196 122.864 118.700 -0.054 0.000 2.697 1312 N HA 0.127 4.867 4.740 -0.000 0.000 0.253 1312 N C 0.564 176.051 175.510 -0.038 0.000 1.604 1312 N CA -0.320 52.699 53.050 -0.052 0.000 0.772 1312 N CB 1.248 39.697 38.487 -0.063 0.000 1.267 1312 N HN 0.584 nan 8.380 nan 0.000 0.510 1313 L N 2.157 123.360 121.223 -0.034 0.000 1.976 1313 L HA -0.284 4.056 4.340 -0.000 0.000 0.223 1313 L C 2.275 179.139 176.870 -0.010 0.000 1.081 1313 L CA 2.785 57.615 54.840 -0.017 0.000 0.784 1313 L CB -1.068 40.981 42.059 -0.016 0.000 0.896 1313 L HN 0.555 nan 8.230 nan 0.000 0.438 1314 S N -1.261 114.431 115.700 -0.013 0.000 2.465 1314 S HA -0.379 4.091 4.470 -0.000 0.000 0.263 1314 S C 1.660 176.255 174.600 -0.008 0.000 1.135 1314 S CA 2.223 60.418 58.200 -0.009 0.000 1.118 1314 S CB -0.957 62.233 63.200 -0.016 0.000 0.994 1314 S HN 0.776 nan 8.310 nan 0.000 0.455 1315 E N 0.098 120.289 120.200 -0.015 0.000 2.330 1315 E HA 0.167 4.517 4.350 -0.000 0.000 0.200 1315 E C 1.831 178.426 176.600 -0.009 0.000 0.922 1315 E CA 0.548 56.940 56.400 -0.014 0.000 0.935 1315 E CB 0.064 29.749 29.700 -0.025 0.000 0.917 1315 E HN 0.413 nan 8.360 nan 0.000 0.491 1316 V N 1.664 121.573 119.914 -0.009 0.000 3.241 1316 V HA -0.160 3.960 4.120 -0.000 0.000 0.269 1316 V C 2.096 178.198 176.094 0.013 0.000 1.151 1316 V CA 1.148 63.447 62.300 -0.001 0.000 1.158 1316 V CB -0.447 31.375 31.823 -0.003 0.000 0.764 1316 V HN 0.306 nan 8.190 nan 0.000 0.508 1317 M N 1.014 120.623 119.600 0.015 0.000 2.160 1317 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 1317 M C 2.063 178.378 176.300 0.025 0.000 1.073 1317 M CA 1.924 57.241 55.300 0.028 0.000 1.142 1317 M CB -0.163 32.454 32.600 0.029 0.000 1.358 1317 M HN 0.556 nan 8.290 nan 0.000 0.422 1318 T N -0.881 113.682 114.554 0.015 0.000 3.565 1318 T HA 0.208 4.558 4.350 -0.000 0.000 0.248 1318 T C 0.010 174.715 174.700 0.009 0.000 1.033 1318 T CA -0.293 61.814 62.100 0.012 0.000 0.952 1318 T CB -1.106 67.766 68.868 0.006 0.000 1.072 1318 T HN 0.028 nan 8.240 nan 0.000 0.609 1319 V N 3.784 123.706 119.914 0.013 0.000 2.472 1319 V HA 0.466 4.586 4.120 -0.000 0.000 0.290 1319 V C -1.971 174.131 176.094 0.014 0.000 1.037 1319 V CA -2.250 60.055 62.300 0.008 0.000 0.908 1319 V CB 1.845 33.672 31.823 0.006 0.000 0.985 1319 V HN 0.409 nan 8.190 nan 0.000 0.454 1320 P HA 0.343 nan 4.420 nan 0.000 0.279 1320 P C 0.597 177.900 177.300 0.005 0.000 1.239 1320 P CA 0.662 63.768 63.100 0.010 0.000 0.789 1320 P CB 1.494 33.194 31.700 -0.001 0.000 0.933 1321 G N 2.584 111.401 108.800 0.027 0.000 2.259 1321 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 1321 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 1321 G C 0.197 175.140 174.900 0.072 0.000 1.001 1321 G CA 0.142 45.258 45.100 0.028 0.000 0.627 1321 G HN 0.726 nan 8.290 nan 0.000 0.501 1322 I N -1.200 119.410 120.570 0.066 0.000 2.797 1322 I HA 0.753 4.923 4.170 -0.000 0.000 0.310 1322 I C -0.783 175.394 176.117 0.101 0.000 0.990 1322 I CA -0.938 60.415 61.300 0.088 0.000 1.228 1322 I CB 1.594 39.638 38.000 0.073 0.000 1.406 1322 I HN -0.074 nan 8.210 nan 0.000 0.534 1323 D N 5.349 125.825 120.400 0.127 0.000 2.467 1323 D HA 0.286 4.926 4.640 -0.000 0.000 0.220 1323 D C -1.972 174.391 176.300 0.106 0.000 1.103 1323 D CA -1.963 52.101 54.000 0.106 0.000 0.886 1323 D CB 1.374 42.238 40.800 0.107 0.000 1.025 1323 D HN 0.411 nan 8.370 nan 0.000 0.514 1324 P HA 0.037 nan 4.420 nan 0.000 0.271 1324 P C 0.648 177.986 177.300 0.065 0.000 1.535 1324 P CA 0.182 63.326 63.100 0.074 0.000 0.820 1324 P CB 0.434 32.166 31.700 0.053 0.000 1.606 1325 T N -0.877 113.715 114.554 0.064 0.000 2.964 1325 T HA 0.211 4.560 4.350 -0.000 0.000 0.250 1325 T C 1.407 176.129 174.700 0.037 0.000 0.982 1325 T CA 0.218 62.341 62.100 0.038 0.000 0.959 1325 T CB 0.274 69.149 68.868 0.013 0.000 1.141 1325 T HN 0.102 nan 8.240 nan 0.000 0.494 1326 R N 0.551 121.084 120.500 0.056 0.000 2.509 1326 R HA 0.446 4.786 4.340 -0.000 0.000 0.300 1326 R C 0.433 176.876 176.300 0.238 0.000 0.985 1326 R CA -0.213 55.900 56.100 0.021 0.000 1.092 1326 R CB 0.599 30.783 30.300 -0.193 0.000 1.237 1326 R HN 0.364 nan 8.270 nan 0.000 0.546 1327 I N 0.744 121.464 120.570 0.251 0.000 2.938 1327 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 1327 I C -0.974 175.361 176.117 0.362 0.000 1.182 1327 I CA 0.097 61.577 61.300 0.299 0.000 1.388 1327 I CB 0.525 38.633 38.000 0.180 0.000 1.390 1327 I HN 0.039 nan 8.210 nan 0.000 0.600 1328 Y N 4.204 124.612 120.300 0.180 0.000 2.424 1328 Y HA 0.303 4.852 4.550 -0.000 0.000 0.323 1328 Y C -1.317 174.657 175.900 0.123 0.000 1.174 1328 Y CA -0.804 57.390 58.100 0.157 0.000 1.060 1328 Y CB 1.463 40.045 38.460 0.202 0.000 1.314 1328 Y HN 0.492 nan 8.280 nan 0.000 0.439 1329 T N 5.847 120.022 114.554 -0.632 0.000 2.786 1329 T HA 0.154 4.504 4.350 -0.000 0.000 0.283 1329 T C 0.855 175.113 174.700 -0.735 0.000 0.992 1329 T CA -0.505 61.299 62.100 -0.492 0.000 0.954 1329 T CB 0.664 69.387 68.868 -0.241 0.000 0.934 1329 T HN 0.730 nan 8.240 nan 0.000 0.440 1330 N N 1.804 120.221 118.700 -0.472 0.000 2.322 1330 N HA -0.138 4.602 4.740 -0.000 0.000 0.189 1330 N C 0.963 176.440 175.510 -0.055 0.000 1.012 1330 N CA 0.765 53.689 53.050 -0.210 0.000 0.880 1330 N CB -0.146 38.355 38.487 0.024 0.000 0.967 1330 N HN 0.399 nan 8.380 nan 0.000 0.439 1331 S N 0.153 115.760 115.700 -0.156 0.000 3.919 1331 S HA 0.124 4.594 4.470 -0.000 0.000 0.245 1331 S C 0.737 175.176 174.600 -0.268 0.000 1.344 1331 S CA -0.880 57.178 58.200 -0.236 0.000 0.896 1331 S CB -1.383 61.676 63.200 -0.235 0.000 1.557 1331 S HN 0.360 nan 8.310 nan 0.000 0.468 1332 F N 2.874 122.809 119.950 -0.025 0.000 2.236 1332 F HA -0.087 4.440 4.527 -0.000 0.000 0.302 1332 F C 1.697 177.514 175.800 0.028 0.000 1.073 1332 F CA 0.536 58.553 58.000 0.029 0.000 1.336 1332 F CB -0.605 38.447 39.000 0.086 0.000 1.040 1332 F HN 0.463 nan 8.300 nan 0.000 0.507 1333 I N 1.622 121.658 120.570 -0.890 0.000 2.248 1333 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 1333 I C 1.830 177.841 176.117 -0.176 0.000 1.107 1333 I CA 1.820 62.833 61.300 -0.478 0.000 1.373 1333 I CB -0.837 36.834 38.000 -0.548 0.000 1.055 1333 I HN 0.309 nan 8.210 nan 0.000 0.418 1334 D N 0.287 120.584 120.400 -0.170 0.000 2.146 1334 D HA -0.026 4.614 4.640 -0.000 0.000 0.209 1334 D C 2.102 178.388 176.300 -0.022 0.000 0.973 1334 D CA 0.764 54.714 54.000 -0.084 0.000 0.860 1334 D CB -0.114 40.630 40.800 -0.094 0.000 1.015 1334 D HN 0.303 nan 8.370 nan 0.000 0.465 1335 I N 1.448 122.014 120.570 -0.005 0.000 3.018 1335 I HA -0.230 3.940 4.170 -0.000 0.000 0.277 1335 I C 2.119 178.292 176.117 0.093 0.000 1.293 1335 I CA 0.540 61.877 61.300 0.061 0.000 1.427 1335 I CB -0.142 37.923 38.000 0.109 0.000 1.091 1335 I HN 0.096 nan 8.210 nan 0.000 0.500 1336 M N 0.142 119.788 119.600 0.077 0.000 2.691 1336 M HA -0.026 4.454 4.480 -0.000 0.000 0.261 1336 M C 1.872 178.206 176.300 0.057 0.000 1.227 1336 M CA 1.328 56.683 55.300 0.091 0.000 1.197 1336 M CB 0.035 32.706 32.600 0.118 0.000 1.294 1336 M HN 0.127 nan 8.290 nan 0.000 0.508 1337 E N -0.085 120.133 120.200 0.031 0.000 2.072 1337 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 1337 E C 1.921 178.532 176.600 0.020 0.000 0.985 1337 E CA 1.364 57.775 56.400 0.019 0.000 0.801 1337 E CB 0.007 29.706 29.700 -0.001 0.000 0.750 1337 E HN 0.329 nan 8.360 nan 0.000 0.452 1338 V N 1.458 121.384 119.914 0.020 0.000 2.278 1338 V HA -0.193 3.927 4.120 -0.000 0.000 0.231 1338 V C 2.319 178.432 176.094 0.033 0.000 1.048 1338 V CA 1.156 63.469 62.300 0.022 0.000 1.015 1338 V CB -0.692 31.143 31.823 0.020 0.000 0.652 1338 V HN 0.193 nan 8.190 nan 0.000 0.466 1339 L N 0.517 121.768 121.223 0.046 0.000 2.187 1339 L HA 0.100 4.440 4.340 -0.000 0.000 0.213 1339 L C 1.073 177.974 176.870 0.052 0.000 1.100 1339 L CA 1.233 56.105 54.840 0.054 0.000 0.765 1339 L CB -0.876 41.228 42.059 0.075 0.000 0.904 1339 L HN 0.762 nan 8.230 nan 0.000 0.437 1340 G N -0.895 107.938 108.800 0.055 0.000 3.233 1340 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.686 1340 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.686 1340 G C 0.289 175.229 174.900 0.066 0.000 1.153 1340 G CA -0.213 44.919 45.100 0.053 0.000 0.853 1340 G HN 0.104 nan 8.290 nan 0.000 0.582 1341 I N 0.597 121.208 120.570 0.068 0.000 2.661 1341 I HA -0.374 3.796 4.170 -0.000 0.000 0.221 1341 I C 2.525 178.691 176.117 0.082 0.000 0.909 1341 I CA 2.774 64.121 61.300 0.079 0.000 1.212 1341 I CB 0.061 38.102 38.000 0.069 0.000 0.929 1341 I HN 0.801 nan 8.210 nan 0.000 0.375 1342 E N 0.431 120.670 120.200 0.066 0.000 2.136 1342 E HA -0.303 4.046 4.350 -0.000 0.000 0.202 1342 E C 2.038 178.679 176.600 0.067 0.000 1.019 1342 E CA 1.831 58.266 56.400 0.059 0.000 0.819 1342 E CB -0.387 29.338 29.700 0.042 0.000 0.739 1342 E HN 0.755 nan 8.360 nan 0.000 0.458 1343 A N 0.409 123.274 122.820 0.075 0.000 1.930 1343 A HA 0.039 4.358 4.320 -0.000 0.000 0.215 1343 A C 2.430 180.094 177.584 0.134 0.000 1.176 1343 A CA 1.528 53.620 52.037 0.093 0.000 0.632 1343 A CB -0.833 18.222 19.000 0.091 0.000 0.819 1343 A HN 0.331 nan 8.150 nan 0.000 0.445 1344 G N -0.046 108.836 108.800 0.137 0.000 2.586 1344 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.218 1344 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.218 1344 G C 1.716 176.724 174.900 0.181 0.000 1.216 1344 G CA 1.221 46.430 45.100 0.182 0.000 0.786 1344 G HN 0.525 nan 8.290 nan 0.000 0.583 1345 R N 0.526 121.106 120.500 0.133 0.000 2.179 1345 R HA -0.260 4.079 4.340 -0.000 0.000 0.238 1345 R C 2.940 179.324 176.300 0.139 0.000 1.119 1345 R CA 2.284 58.450 56.100 0.111 0.000 0.915 1345 R CB -0.848 29.503 30.300 0.085 0.000 0.870 1345 R HN 0.319 nan 8.270 nan 0.000 0.432 1346 A N 0.242 123.138 122.820 0.127 0.000 1.954 1346 A HA -0.311 4.009 4.320 -0.000 0.000 0.222 1346 A C 2.356 180.063 177.584 0.205 0.000 1.199 1346 A CA 2.702 54.820 52.037 0.135 0.000 0.657 1346 A CB -1.003 18.050 19.000 0.089 0.000 0.823 1346 A HN 0.684 nan 8.150 nan 0.000 0.463 1347 A N -1.007 121.959 122.820 0.244 0.000 1.855 1347 A HA 0.094 4.413 4.320 -0.000 0.000 0.215 1347 A C 2.094 179.818 177.584 0.233 0.000 1.191 1347 A CA 1.679 53.932 52.037 0.360 0.000 0.613 1347 A CB -0.777 18.508 19.000 0.475 0.000 0.829 1347 A HN 0.775 nan 8.150 nan 0.000 0.442 1348 L N -0.922 120.361 121.223 0.099 0.000 1.965 1348 L HA -0.272 4.068 4.340 -0.000 0.000 0.226 1348 L C 2.341 179.162 176.870 -0.082 0.000 1.083 1348 L CA 2.907 57.620 54.840 -0.212 0.000 0.790 1348 L CB -1.484 40.462 42.059 -0.188 0.000 0.898 1348 L HN 0.579 nan 8.230 nan 0.000 0.439 1349 Y N 0.311 120.578 120.300 -0.055 0.000 2.102 1349 Y HA -0.375 4.175 4.550 -0.000 0.000 0.280 1349 Y C 2.739 178.672 175.900 0.056 0.000 1.178 1349 Y CA 2.767 60.860 58.100 -0.012 0.000 1.146 1349 Y CB -0.323 38.139 38.460 0.003 0.000 0.968 1349 Y HN 0.332 nan 8.280 nan 0.000 0.504 1350 K N -0.101 120.452 120.400 0.255 0.000 2.063 1350 K HA -0.276 4.044 4.320 -0.000 0.000 0.208 1350 K C 2.090 178.738 176.600 0.081 0.000 1.048 1350 K CA 1.875 58.263 56.287 0.169 0.000 0.928 1350 K CB -0.218 32.371 32.500 0.148 0.000 0.713 1350 K HN 0.338 nan 8.250 nan 0.000 0.442 1351 E N 0.355 120.613 120.200 0.096 0.000 2.031 1351 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 1351 E C 1.849 178.455 176.600 0.010 0.000 0.994 1351 E CA 1.527 57.989 56.400 0.103 0.000 0.800 1351 E CB -0.220 29.536 29.700 0.093 0.000 0.752 1351 E HN 0.109 nan 8.360 nan 0.000 0.447 1352 V N 0.647 120.494 119.914 -0.112 0.000 2.252 1352 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 1352 V C 2.226 178.237 176.094 -0.137 0.000 1.056 1352 V CA 2.341 64.551 62.300 -0.149 0.000 1.022 1352 V CB -0.996 30.693 31.823 -0.223 0.000 0.641 1352 V HN 0.462 nan 8.190 nan 0.000 0.445 1353 Y N 1.499 121.567 120.300 -0.387 0.000 2.139 1353 Y HA -0.335 4.215 4.550 -0.000 0.000 0.282 1353 Y C 2.617 178.448 175.900 -0.116 0.000 1.179 1353 Y CA 2.335 60.250 58.100 -0.308 0.000 1.161 1353 Y CB -0.347 37.888 38.460 -0.374 0.000 0.970 1353 Y HN 0.283 nan 8.280 nan 0.000 0.511 1354 N N 0.266 119.119 118.700 0.255 0.000 2.039 1354 N HA -0.197 4.543 4.740 -0.000 0.000 0.193 1354 N C 1.924 177.444 175.510 0.018 0.000 1.044 1354 N CA 2.130 55.299 53.050 0.198 0.000 0.847 1354 N CB -0.653 37.966 38.487 0.221 0.000 1.030 1354 N HN 0.336 nan 8.380 nan 0.000 0.422 1355 V N 2.509 122.431 119.914 0.014 0.000 2.242 1355 V HA -0.298 3.821 4.120 -0.000 0.000 0.257 1355 V C 2.346 178.405 176.094 -0.058 0.000 1.073 1355 V CA 1.848 64.142 62.300 -0.010 0.000 1.058 1355 V CB -0.794 31.016 31.823 -0.021 0.000 0.664 1355 V HN 0.287 nan 8.190 nan 0.000 0.451 1356 I N 0.478 120.980 120.570 -0.113 0.000 2.315 1356 I HA -0.163 4.007 4.170 -0.000 0.000 0.248 1356 I C 2.443 178.455 176.117 -0.175 0.000 1.117 1356 I CA 1.431 62.644 61.300 -0.144 0.000 1.404 1356 I CB -0.496 37.400 38.000 -0.175 0.000 1.071 1356 I HN 0.334 nan 8.210 nan 0.000 0.419 1357 A N 0.337 123.000 122.820 -0.263 0.000 2.235 1357 A HA -0.041 4.278 4.320 -0.000 0.000 0.208 1357 A C 2.238 179.766 177.584 -0.095 0.000 1.172 1357 A CA 1.077 52.956 52.037 -0.262 0.000 0.786 1357 A CB -0.471 18.219 19.000 -0.517 0.000 0.804 1357 A HN 0.481 nan 8.150 nan 0.000 0.479 1358 S N -0.251 115.419 115.700 -0.051 0.000 2.496 1358 S HA -0.052 4.418 4.470 -0.000 0.000 0.224 1358 S C 1.032 175.615 174.600 -0.028 0.000 0.996 1358 S CA 0.743 58.935 58.200 -0.012 0.000 0.927 1358 S CB -0.137 63.076 63.200 0.021 0.000 0.774 1358 S HN 0.583 nan 8.310 nan 0.000 0.524 1359 D N 1.585 121.960 120.400 -0.042 0.000 2.347 1359 D HA 0.155 4.794 4.640 -0.000 0.000 0.213 1359 D C 1.184 177.461 176.300 -0.038 0.000 0.985 1359 D CA 0.837 54.813 54.000 -0.039 0.000 0.879 1359 D CB 0.024 40.797 40.800 -0.045 0.000 0.919 1359 D HN 0.591 nan 8.370 nan 0.000 0.526 1360 G N 1.453 110.226 108.800 -0.045 0.000 2.204 1360 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 1360 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 1360 G C -0.121 174.767 174.900 -0.020 0.000 1.062 1360 G CA 0.056 45.136 45.100 -0.033 0.000 0.798 1360 G HN 0.194 nan 8.290 nan 0.000 0.496 1361 S N 0.486 116.164 115.700 -0.038 0.000 2.474 1361 S HA 0.505 4.975 4.470 -0.000 0.000 0.320 1361 S C -0.169 174.452 174.600 0.034 0.000 1.067 1361 S CA -0.758 57.432 58.200 -0.016 0.000 1.127 1361 S CB 1.312 64.482 63.200 -0.051 0.000 0.971 1361 S HN 0.514 nan 8.310 nan 0.000 0.472 1362 Y N 3.491 123.749 120.300 -0.071 0.000 2.326 1362 Y HA 0.494 5.044 4.550 -0.000 0.000 0.333 1362 Y C -0.513 175.375 175.900 -0.020 0.000 1.240 1362 Y CA -1.206 56.863 58.100 -0.051 0.000 1.365 1362 Y CB 0.541 38.994 38.460 -0.012 0.000 1.289 1362 Y HN 0.384 nan 8.280 nan 0.000 0.548 1363 V N 6.448 126.522 119.914 0.267 0.000 2.663 1363 V HA 0.077 4.197 4.120 -0.000 0.000 0.286 1363 V C -0.359 175.808 176.094 0.121 0.000 1.085 1363 V CA -1.505 60.782 62.300 -0.022 0.000 0.916 1363 V CB 1.314 33.176 31.823 0.064 0.000 1.039 1363 V HN 0.874 nan 8.190 nan 0.000 0.453 1364 N N 3.267 121.859 118.700 -0.179 0.000 2.236 1364 N HA -0.109 4.631 4.740 -0.000 0.000 0.274 1364 N C 1.249 176.882 175.510 0.204 0.000 1.339 1364 N CA 0.368 53.485 53.050 0.112 0.000 0.845 1364 N CB 0.341 38.769 38.487 -0.098 0.000 1.091 1364 N HN 0.746 nan 8.380 nan 0.000 0.489 1365 Y N 5.505 125.973 120.300 0.281 0.000 1.924 1365 Y HA -0.521 4.029 4.550 -0.000 0.000 0.194 1365 Y C 2.144 178.101 175.900 0.095 0.000 1.165 1365 Y CA 3.062 61.322 58.100 0.265 0.000 0.921 1365 Y CB -0.458 38.123 38.460 0.202 0.000 0.739 1365 Y HN 0.722 nan 8.280 nan 0.000 0.568 1366 R N -1.454 119.069 120.500 0.040 0.000 2.323 1366 R HA -0.356 3.984 4.340 -0.000 0.000 0.259 1366 R C 1.778 177.940 176.300 -0.231 0.000 1.104 1366 R CA 2.129 58.064 56.100 -0.275 0.000 0.961 1366 R CB -1.632 28.339 30.300 -0.548 0.000 0.929 1366 R HN 0.574 nan 8.270 nan 0.000 0.457 1367 H N 0.943 119.996 119.070 -0.029 0.000 2.267 1367 H HA 0.021 4.577 4.556 -0.000 0.000 0.302 1367 H C 2.477 177.772 175.328 -0.055 0.000 1.056 1367 H CA 1.892 57.933 56.048 -0.012 0.000 1.269 1367 H CB -0.607 29.155 29.762 0.001 0.000 1.385 1367 H HN 0.227 nan 8.280 nan 0.000 0.501 1368 M N 0.490 120.147 119.600 0.095 0.000 2.108 1368 M HA -0.200 4.280 4.480 -0.000 0.000 0.257 1368 M C 2.699 178.986 176.300 -0.021 0.000 1.071 1368 M CA 1.633 56.935 55.300 0.003 0.000 1.093 1368 M CB -0.619 31.965 32.600 -0.026 0.000 1.345 1368 M HN 0.263 nan 8.290 nan 0.000 0.403 1369 A N 1.071 123.816 122.820 -0.125 0.000 1.859 1369 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 1369 A C 2.157 179.661 177.584 -0.134 0.000 1.209 1369 A CA 2.069 53.920 52.037 -0.310 0.000 0.639 1369 A CB -1.140 17.371 19.000 -0.814 0.000 0.835 1369 A HN 0.450 nan 8.150 nan 0.000 0.450 1370 L N -0.394 120.776 121.223 -0.089 0.000 1.978 1370 L HA -0.205 4.135 4.340 -0.000 0.000 0.218 1370 L C 2.362 179.216 176.870 -0.028 0.000 1.075 1370 L CA 2.617 57.444 54.840 -0.022 0.000 0.767 1370 L CB -1.198 40.893 42.059 0.054 0.000 0.890 1370 L HN 0.475 nan 8.230 nan 0.000 0.434 1371 L N -0.967 120.237 121.223 -0.032 0.000 1.991 1371 L HA -0.236 4.104 4.340 -0.000 0.000 0.221 1371 L C 2.513 179.352 176.870 -0.052 0.000 1.079 1371 L CA 2.325 57.129 54.840 -0.060 0.000 0.778 1371 L CB -1.268 40.747 42.059 -0.074 0.000 0.893 1371 L HN 0.158 nan 8.230 nan 0.000 0.437 1372 V N 0.198 120.090 119.914 -0.036 0.000 2.255 1372 V HA -0.345 3.775 4.120 -0.000 0.000 0.247 1372 V C 2.363 178.456 176.094 -0.003 0.000 1.051 1372 V CA 2.434 64.725 62.300 -0.016 0.000 1.018 1372 V CB -0.659 31.187 31.823 0.039 0.000 0.641 1372 V HN 0.629 nan 8.190 nan 0.000 0.445 1373 D N -0.523 119.874 120.400 -0.005 0.000 2.158 1373 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 1373 D C 2.100 178.402 176.300 0.003 0.000 0.995 1373 D CA 1.783 55.786 54.000 0.004 0.000 0.846 1373 D CB -0.162 40.636 40.800 -0.004 0.000 0.941 1373 D HN 0.421 nan 8.370 nan 0.000 0.456 1374 V N 1.234 121.140 119.914 -0.013 0.000 2.295 1374 V HA -0.260 3.859 4.120 -0.000 0.000 0.246 1374 V C 2.603 178.702 176.094 0.008 0.000 1.049 1374 V CA 1.362 63.653 62.300 -0.015 0.000 1.024 1374 V CB -0.453 31.340 31.823 -0.050 0.000 0.648 1374 V HN 0.193 nan 8.190 nan 0.000 0.447 1375 M N 0.042 119.646 119.600 0.006 0.000 2.065 1375 M HA -0.179 4.301 4.480 -0.000 0.000 0.259 1375 M C 2.370 178.706 176.300 0.059 0.000 1.069 1375 M CA 2.526 57.848 55.300 0.037 0.000 1.110 1375 M CB -0.840 31.774 32.600 0.022 0.000 1.328 1375 M HN 0.593 nan 8.290 nan 0.000 0.405 1376 T N 0.010 114.595 114.554 0.051 0.000 2.504 1376 T HA -0.164 4.186 4.350 -0.000 0.000 0.243 1376 T C 1.611 176.348 174.700 0.061 0.000 1.206 1376 T CA 3.259 65.398 62.100 0.065 0.000 1.356 1376 T CB -0.825 68.080 68.868 0.063 0.000 0.910 1376 T HN 0.629 nan 8.240 nan 0.000 0.393 1377 T N 0.937 115.523 114.554 0.053 0.000 1.766 1377 T HA -0.521 3.829 4.350 -0.000 0.000 0.118 1377 T C 1.626 176.358 174.700 0.054 0.000 1.833 1377 T CA 2.662 64.792 62.100 0.050 0.000 0.817 1377 T CB -1.871 67.016 68.868 0.032 0.000 0.767 1377 T HN 0.692 nan 8.240 nan 0.000 0.408 1378 Q N 1.653 121.483 119.800 0.051 0.000 2.221 1378 Q HA -0.329 4.011 4.340 -0.000 0.000 0.220 1378 Q C 2.170 178.203 176.000 0.055 0.000 1.057 1378 Q CA 2.793 58.628 55.803 0.053 0.000 0.949 1378 Q CB -0.982 27.793 28.738 0.062 0.000 1.077 1378 Q HN 1.020 nan 8.270 nan 0.000 0.436 1379 G N -3.283 105.553 108.800 0.060 0.000 4.264 1379 G HA2 0.179 4.139 3.960 -0.000 0.000 0.204 1379 G HA3 0.179 4.139 3.960 -0.000 0.000 0.204 1379 G C 0.229 175.167 174.900 0.064 0.000 1.003 1379 G CA 0.426 45.560 45.100 0.058 0.000 0.998 1379 G HN 0.619 nan 8.290 nan 0.000 0.361 1380 G N -0.247 108.597 108.800 0.072 0.000 3.420 1380 G HA2 0.516 4.476 3.960 -0.000 0.000 0.183 1380 G HA3 0.516 4.476 3.960 -0.000 0.000 0.183 1380 G C -1.087 173.874 174.900 0.103 0.000 1.315 1380 G CA -0.428 44.722 45.100 0.083 0.000 0.958 1380 G HN 0.410 nan 8.290 nan 0.000 0.745 1381 L N 2.451 123.744 121.223 0.117 0.000 2.301 1381 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 1381 L C -0.509 176.441 176.870 0.134 0.000 1.022 1381 L CA -0.381 54.546 54.840 0.145 0.000 0.854 1381 L CB 1.471 43.657 42.059 0.211 0.000 1.226 1381 L HN 0.240 nan 8.230 nan 0.000 0.429 1382 T N 1.148 115.777 114.554 0.125 0.000 2.729 1382 T HA 0.197 4.547 4.350 -0.000 0.000 0.296 1382 T C 0.607 175.403 174.700 0.161 0.000 0.928 1382 T CA -0.458 61.724 62.100 0.138 0.000 1.045 1382 T CB 0.918 69.865 68.868 0.133 0.000 0.902 1382 T HN 0.669 nan 8.240 nan 0.000 0.500 1383 S N 2.223 118.034 115.700 0.185 0.000 2.608 1383 S HA 0.242 4.712 4.470 -0.000 0.000 0.261 1383 S C 0.445 175.213 174.600 0.280 0.000 1.314 1383 S CA -0.862 57.459 58.200 0.203 0.000 0.992 1383 S CB 0.517 63.842 63.200 0.207 0.000 0.935 1383 S HN 0.405 nan 8.310 nan 0.000 0.564 1384 V N 2.157 122.210 119.914 0.231 0.000 2.112 1384 V HA 0.400 4.520 4.120 -0.000 0.000 0.271 1384 V C -0.113 176.238 176.094 0.429 0.000 1.465 1384 V CA -0.092 62.361 62.300 0.254 0.000 1.419 1384 V CB -1.037 30.769 31.823 -0.029 0.000 1.409 1384 V HN 1.023 nan 8.190 nan 0.000 0.495 1385 T N 0.626 115.518 114.554 0.562 0.000 2.886 1385 T HA 0.230 4.580 4.350 -0.000 0.000 0.330 1385 T C 0.920 175.679 174.700 0.099 0.000 1.488 1385 T CA -0.751 61.580 62.100 0.384 0.000 1.054 1385 T CB 2.228 71.257 68.868 0.267 0.000 1.348 1385 T HN 0.428 nan 8.240 nan 0.000 0.489 1386 R N 0.911 121.357 120.500 -0.091 0.000 2.292 1386 R HA -0.296 4.043 4.340 -0.000 0.000 0.268 1386 R C 1.009 177.116 176.300 -0.323 0.000 1.150 1386 R CA 2.294 58.134 56.100 -0.433 0.000 0.993 1386 R CB -0.403 29.526 30.300 -0.618 0.000 0.901 1386 R HN 0.671 nan 8.270 nan 0.000 0.470 1387 H N -1.461 117.578 119.070 -0.052 0.000 2.547 1387 H HA 0.153 4.709 4.556 -0.000 0.000 0.266 1387 H C 1.244 176.566 175.328 -0.011 0.000 0.988 1387 H CA 0.955 56.988 56.048 -0.025 0.000 1.147 1387 H CB 0.527 30.300 29.762 0.018 0.000 1.365 1387 H HN 0.517 nan 8.280 nan 0.000 0.589 1388 G N 0.137 108.979 108.800 0.069 0.000 3.054 1388 G HA2 0.064 4.023 3.960 -0.000 0.000 0.201 1388 G HA3 0.064 4.023 3.960 -0.000 0.000 0.201 1388 G C 0.975 175.881 174.900 0.011 0.000 1.694 1388 G CA 0.090 45.245 45.100 0.092 0.000 0.742 1388 G HN 0.217 nan 8.290 nan 0.000 0.790 1389 F N 1.800 121.804 119.950 0.091 0.000 2.214 1389 F HA -0.167 4.360 4.527 -0.000 0.000 0.302 1389 F C 1.401 177.251 175.800 0.084 0.000 1.063 1389 F CA 1.731 59.774 58.000 0.072 0.000 1.319 1389 F CB -0.574 38.457 39.000 0.052 0.000 1.046 1389 F HN 0.228 nan 8.300 nan 0.000 0.505 1390 N N 0.506 118.617 118.700 -0.981 0.000 2.421 1390 N HA 0.013 4.753 4.740 -0.000 0.000 0.201 1390 N C 1.379 176.743 175.510 -0.244 0.000 1.198 1390 N CA 0.275 52.947 53.050 -0.630 0.000 0.838 1390 N CB -0.183 37.918 38.487 -0.644 0.000 1.011 1390 N HN 0.690 nan 8.380 nan 0.000 0.463 1391 R N -1.808 118.606 120.500 -0.143 0.000 2.453 1391 R HA 0.266 4.605 4.340 -0.000 0.000 0.233 1391 R C 0.498 176.783 176.300 -0.025 0.000 0.895 1391 R CA -0.134 55.923 56.100 -0.072 0.000 1.028 1391 R CB -0.297 29.977 30.300 -0.043 0.000 1.255 1391 R HN 0.093 nan 8.270 nan 0.000 0.571 1392 S N 1.567 117.270 115.700 0.005 0.000 2.822 1392 S HA -0.082 4.388 4.470 -0.000 0.000 0.251 1392 S C 0.546 175.159 174.600 0.023 0.000 1.441 1392 S CA 0.151 58.372 58.200 0.034 0.000 0.983 1392 S CB 0.045 63.289 63.200 0.074 0.000 0.910 1392 S HN 0.376 nan 8.310 nan 0.000 0.557 1393 N N 0.607 119.325 118.700 0.030 0.000 2.567 1393 N HA 0.002 4.741 4.740 -0.000 0.000 0.195 1393 N C -0.179 175.348 175.510 0.028 0.000 1.242 1393 N CA 0.389 53.454 53.050 0.024 0.000 0.884 1393 N CB -0.471 38.031 38.487 0.026 0.000 1.007 1393 N HN 0.487 nan 8.380 nan 0.000 0.450 1394 T N 0.431 115.007 114.554 0.035 0.000 2.907 1394 T HA 0.263 4.612 4.350 -0.000 0.000 0.298 1394 T C 1.117 175.837 174.700 0.034 0.000 1.017 1394 T CA -0.495 61.631 62.100 0.043 0.000 1.118 1394 T CB 1.324 70.230 68.868 0.062 0.000 0.948 1394 T HN 0.168 nan 8.240 nan 0.000 0.531 1395 G N 1.199 110.027 108.800 0.046 0.000 2.690 1395 G HA2 0.375 4.335 3.960 -0.000 0.000 0.239 1395 G HA3 0.375 4.335 3.960 -0.000 0.000 0.239 1395 G C 1.088 176.013 174.900 0.042 0.000 1.233 1395 G CA -0.189 44.945 45.100 0.057 0.000 0.847 1395 G HN 0.933 nan 8.290 nan 0.000 0.588 1396 A N 1.040 123.882 122.820 0.037 0.000 2.673 1396 A HA -0.160 4.159 4.320 -0.000 0.000 0.193 1396 A C 2.548 180.132 177.584 0.001 0.000 1.078 1396 A CA 2.143 54.147 52.037 -0.055 0.000 0.969 1396 A CB -1.097 17.771 19.000 -0.220 0.000 0.792 1396 A HN 1.027 nan 8.150 nan 0.000 0.564 1397 L N -1.577 119.689 121.223 0.071 0.000 2.251 1397 L HA -0.402 3.938 4.340 -0.000 0.000 0.226 1397 L C 2.810 179.714 176.870 0.056 0.000 1.103 1397 L CA 2.510 57.400 54.840 0.083 0.000 0.827 1397 L CB -0.707 41.433 42.059 0.135 0.000 0.907 1397 L HN 0.630 nan 8.230 nan 0.000 0.449 1398 M N -0.811 118.825 119.600 0.060 0.000 2.086 1398 M HA -0.219 4.261 4.480 -0.000 0.000 0.261 1398 M C 2.563 178.908 176.300 0.076 0.000 1.067 1398 M CA 1.914 57.252 55.300 0.062 0.000 1.116 1398 M CB -0.127 32.511 32.600 0.063 0.000 1.348 1398 M HN 0.199 nan 8.290 nan 0.000 0.407 1399 R N -1.243 119.290 120.500 0.055 0.000 2.115 1399 R HA -0.127 4.213 4.340 -0.000 0.000 0.226 1399 R C 2.369 178.694 176.300 0.042 0.000 1.100 1399 R CA 1.191 57.323 56.100 0.054 0.000 0.980 1399 R CB -0.794 29.500 30.300 -0.010 0.000 0.875 1399 R HN 0.490 nan 8.270 nan 0.000 0.445 1400 C N 1.527 120.828 119.300 0.003 0.000 2.398 1400 C HA -0.133 4.327 4.460 -0.000 0.000 0.279 1400 C C 2.182 177.190 174.990 0.030 0.000 1.250 1400 C CA 1.663 60.670 59.018 -0.019 0.000 1.786 1400 C CB -0.918 26.806 27.740 -0.026 0.000 2.018 1400 C HN 0.552 nan 8.230 nan 0.000 0.494 1401 S N -1.498 114.248 115.700 0.077 0.000 2.859 1401 S HA 0.301 4.771 4.470 -0.000 0.000 0.245 1401 S C -0.305 174.435 174.600 0.234 0.000 1.008 1401 S CA -0.245 58.022 58.200 0.112 0.000 1.089 1401 S CB -0.604 62.647 63.200 0.086 0.000 0.798 1401 S HN 0.562 nan 8.310 nan 0.000 0.477 1402 F N 0.863 120.810 119.950 -0.004 0.000 2.670 1402 F HA 0.313 4.840 4.527 -0.000 0.000 0.332 1402 F C 0.420 176.208 175.800 -0.020 0.000 1.179 1402 F CA -1.575 56.431 58.000 0.009 0.000 1.076 1402 F CB 0.435 39.453 39.000 0.029 0.000 1.322 1402 F HN 0.238 nan 8.300 nan 0.000 0.515 1403 E N 2.022 122.035 120.200 -0.311 0.000 5.309 1403 E HA -0.348 4.002 4.350 -0.000 0.000 0.168 1403 E C 0.510 176.941 176.600 -0.281 0.000 1.215 1403 E CA 2.388 58.531 56.400 -0.429 0.000 1.746 1403 E CB -0.301 28.895 29.700 -0.840 0.000 1.853 1403 E HN 0.820 nan 8.360 nan 0.000 0.311 1404 E N -0.302 119.742 120.200 -0.260 0.000 2.501 1404 E HA 0.091 4.441 4.350 -0.000 0.000 0.201 1404 E C 1.079 177.617 176.600 -0.104 0.000 1.016 1404 E CA 0.578 56.878 56.400 -0.167 0.000 0.920 1404 E CB 0.441 30.031 29.700 -0.182 0.000 1.023 1404 E HN 0.218 nan 8.360 nan 0.000 0.474 1405 T N 1.348 115.850 114.554 -0.088 0.000 2.019 1405 T HA -0.348 4.002 4.350 -0.000 0.000 0.163 1405 T C 1.945 176.575 174.700 -0.118 0.000 1.761 1405 T CA 2.615 64.668 62.100 -0.079 0.000 0.929 1405 T CB -0.969 67.867 68.868 -0.053 0.000 0.787 1405 T HN 0.071 nan 8.240 nan 0.000 0.427 1406 V N 1.879 121.727 119.914 -0.111 0.000 2.261 1406 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 1406 V C 2.572 178.574 176.094 -0.153 0.000 1.047 1406 V CA 2.349 64.525 62.300 -0.207 0.000 1.015 1406 V CB -0.825 30.934 31.823 -0.107 0.000 0.642 1406 V HN 0.555 nan 8.190 nan 0.000 0.446 1407 E N 0.120 120.349 120.200 0.048 0.000 2.068 1407 E HA -0.278 4.071 4.350 -0.000 0.000 0.207 1407 E C 2.178 178.816 176.600 0.065 0.000 1.032 1407 E CA 2.140 58.631 56.400 0.152 0.000 0.839 1407 E CB -0.361 29.369 29.700 0.050 0.000 0.758 1407 E HN 0.542 nan 8.360 nan 0.000 0.457 1408 I N 1.084 121.622 120.570 -0.053 0.000 2.068 1408 I HA -0.373 3.797 4.170 -0.000 0.000 0.238 1408 I C 2.622 178.642 176.117 -0.162 0.000 1.046 1408 I CA 1.392 62.627 61.300 -0.108 0.000 1.306 1408 I CB -0.487 37.433 38.000 -0.133 0.000 1.023 1408 I HN 0.168 nan 8.210 nan 0.000 0.399 1409 L N -0.308 120.765 121.223 -0.249 0.000 2.021 1409 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 1409 L C 2.613 179.345 176.870 -0.230 0.000 1.074 1409 L CA 1.796 56.413 54.840 -0.372 0.000 0.760 1409 L CB -0.754 41.062 42.059 -0.404 0.000 0.889 1409 L HN 0.174 nan 8.230 nan 0.000 0.433 1410 F N 0.405 120.324 119.950 -0.051 0.000 2.025 1410 F HA -0.279 4.247 4.527 -0.000 0.000 0.297 1410 F C 2.350 178.246 175.800 0.160 0.000 1.132 1410 F CA 1.303 59.371 58.000 0.113 0.000 1.191 1410 F CB -0.275 38.806 39.000 0.136 0.000 0.963 1410 F HN 0.119 nan 8.300 nan 0.000 0.481 1411 E N 0.100 120.418 120.200 0.198 0.000 2.461 1411 E HA -0.010 4.339 4.350 -0.000 0.000 0.196 1411 E C 1.302 177.818 176.600 -0.140 0.000 1.129 1411 E CA 0.226 56.585 56.400 -0.068 0.000 0.902 1411 E CB -0.053 29.571 29.700 -0.126 0.000 0.963 1411 E HN 0.426 nan 8.360 nan 0.000 0.503 1412 A N 0.463 123.207 122.820 -0.126 0.000 1.944 1412 A HA 0.189 4.509 4.320 -0.000 0.000 0.209 1412 A C 2.264 179.784 177.584 -0.106 0.000 1.328 1412 A CA 0.603 52.491 52.037 -0.248 0.000 0.693 1412 A CB -0.602 18.040 19.000 -0.597 0.000 0.994 1412 A HN 0.316 nan 8.150 nan 0.000 0.485 1413 G N -0.316 108.482 108.800 -0.003 0.000 2.559 1413 G HA2 0.177 4.137 3.960 -0.000 0.000 0.216 1413 G HA3 0.177 4.137 3.960 -0.000 0.000 0.216 1413 G C 1.411 176.425 174.900 0.190 0.000 1.126 1413 G CA 1.310 46.517 45.100 0.178 0.000 0.778 1413 G HN 0.702 nan 8.290 nan 0.000 0.543 1414 A N 1.265 124.152 122.820 0.112 0.000 1.854 1414 A HA 0.072 4.392 4.320 -0.000 0.000 0.214 1414 A C 2.452 179.863 177.584 -0.288 0.000 1.192 1414 A CA 1.945 53.924 52.037 -0.097 0.000 0.611 1414 A CB -0.537 18.174 19.000 -0.483 0.000 0.832 1414 A HN 0.675 nan 8.150 nan 0.000 0.442 1415 S N -1.191 114.323 115.700 -0.309 0.000 2.679 1415 S HA 0.489 4.959 4.470 -0.000 0.000 0.233 1415 S C 0.749 175.276 174.600 -0.123 0.000 0.951 1415 S CA 0.723 58.721 58.200 -0.338 0.000 0.973 1415 S CB -0.493 62.494 63.200 -0.355 0.000 0.778 1415 S HN 1.942 nan 8.310 nan 0.000 0.477 1416 A N 0.566 123.391 122.820 0.008 0.000 2.687 1416 A HA -0.201 4.119 4.320 -0.000 0.000 0.299 1416 A C 0.316 177.986 177.584 0.143 0.000 1.497 1416 A CA 0.883 53.006 52.037 0.144 0.000 0.751 1416 A CB -2.333 16.743 19.000 0.127 0.000 1.048 1416 A HN 0.742 nan 8.150 nan 0.000 0.464 1417 E N -1.705 118.577 120.200 0.136 0.000 2.442 1417 E HA 0.331 4.681 4.350 -0.000 0.000 0.260 1417 E C -0.152 176.600 176.600 0.254 0.000 1.148 1417 E CA 0.039 56.528 56.400 0.149 0.000 0.976 1417 E CB 0.408 30.163 29.700 0.092 0.000 0.967 1417 E HN 0.724 nan 8.360 nan 0.000 0.454 1418 L N 1.986 123.324 121.223 0.191 0.000 2.438 1418 L HA 0.288 4.628 4.340 -0.000 0.000 0.270 1418 L C -1.335 175.618 176.870 0.138 0.000 0.972 1418 L CA -0.335 54.600 54.840 0.159 0.000 0.831 1418 L CB 1.925 44.051 42.059 0.112 0.000 1.273 1418 L HN 0.335 nan 8.230 nan 0.000 0.405 1419 D N 2.973 123.446 120.400 0.121 0.000 2.303 1419 D HA 0.195 4.835 4.640 -0.000 0.000 0.236 1419 D C 0.265 176.596 176.300 0.052 0.000 1.068 1419 D CA -0.116 53.947 54.000 0.106 0.000 0.830 1419 D CB 1.753 42.645 40.800 0.153 0.000 1.109 1419 D HN 0.616 nan 8.370 nan 0.000 0.496 1420 D N 1.729 122.160 120.400 0.051 0.000 2.149 1420 D HA -0.136 4.503 4.640 -0.000 0.000 0.198 1420 D C 0.729 177.044 176.300 0.024 0.000 0.990 1420 D CA 0.829 54.850 54.000 0.035 0.000 0.839 1420 D CB 0.131 40.954 40.800 0.038 0.000 0.948 1420 D HN 0.526 nan 8.370 nan 0.000 0.460 1421 C N 0.239 119.556 119.300 0.028 0.000 4.424 1421 C HA -0.153 4.307 4.460 -0.000 0.000 0.304 1421 C C 1.339 176.336 174.990 0.011 0.000 1.344 1421 C CA -0.041 58.986 59.018 0.015 0.000 2.033 1421 C CB -2.402 25.337 27.740 -0.002 0.000 1.264 1421 C HN 0.412 nan 8.230 nan 0.000 0.750 1422 R N -0.212 120.300 120.500 0.020 0.000 2.419 1422 R HA 0.230 4.570 4.340 -0.000 0.000 0.235 1422 R C 1.106 177.415 176.300 0.015 0.000 0.899 1422 R CA 0.651 56.761 56.100 0.017 0.000 1.048 1422 R CB 0.667 30.986 30.300 0.031 0.000 1.182 1422 R HN 0.539 nan 8.270 nan 0.000 0.544 1423 G N 0.726 109.537 108.800 0.019 0.000 2.319 1423 G HA2 0.329 4.288 3.960 -0.000 0.000 0.308 1423 G HA3 0.329 4.288 3.960 -0.000 0.000 0.308 1423 G C 1.158 176.061 174.900 0.005 0.000 1.117 1423 G CA -0.524 44.587 45.100 0.017 0.000 0.903 1423 G HN -0.126 nan 8.290 nan 0.000 0.436 1424 V N 3.306 123.215 119.914 -0.008 0.000 2.308 1424 V HA -0.389 3.730 4.120 -0.000 0.000 0.251 1424 V C 3.011 179.099 176.094 -0.011 0.000 1.055 1424 V CA 2.913 65.201 62.300 -0.020 0.000 1.105 1424 V CB -1.265 30.542 31.823 -0.026 0.000 0.785 1424 V HN 0.715 nan 8.190 nan 0.000 0.479 1425 S N -0.975 114.724 115.700 -0.001 0.000 2.389 1425 S HA -0.296 4.173 4.470 -0.000 0.000 0.231 1425 S C 1.825 176.434 174.600 0.014 0.000 1.052 1425 S CA 1.878 60.083 58.200 0.009 0.000 1.053 1425 S CB -0.540 62.674 63.200 0.024 0.000 0.886 1425 S HN 0.703 nan 8.310 nan 0.000 0.456 1426 E N 1.375 121.587 120.200 0.020 0.000 2.114 1426 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 1426 E C 1.805 178.409 176.600 0.006 0.000 1.008 1426 E CA 1.033 57.447 56.400 0.023 0.000 0.810 1426 E CB -0.515 29.200 29.700 0.024 0.000 0.739 1426 E HN 0.601 nan 8.360 nan 0.000 0.456 1427 N N 0.194 118.891 118.700 -0.005 0.000 2.197 1427 N HA -0.061 4.679 4.740 -0.000 0.000 0.184 1427 N C 2.084 177.583 175.510 -0.017 0.000 1.030 1427 N CA 0.662 53.702 53.050 -0.016 0.000 0.851 1427 N CB -0.144 38.327 38.487 -0.027 0.000 1.003 1427 N HN -0.036 nan 8.380 nan 0.000 0.430 1428 V N 2.384 122.288 119.914 -0.017 0.000 2.636 1428 V HA -0.190 3.930 4.120 -0.000 0.000 0.258 1428 V C 2.022 178.110 176.094 -0.010 0.000 1.092 1428 V CA 1.307 63.597 62.300 -0.017 0.000 1.110 1428 V CB -0.438 31.375 31.823 -0.016 0.000 0.685 1428 V HN 0.301 nan 8.190 nan 0.000 0.481 1429 I N -1.323 119.245 120.570 -0.003 0.000 3.419 1429 I HA 0.006 4.176 4.170 -0.000 0.000 0.286 1429 I C 1.409 177.523 176.117 -0.006 0.000 1.268 1429 I CA 0.862 62.163 61.300 0.001 0.000 1.414 1429 I CB 0.180 38.189 38.000 0.015 0.000 1.074 1429 I HN 0.253 nan 8.210 nan 0.000 0.457 1430 L N 0.336 121.551 121.223 -0.013 0.000 2.959 1430 L HA 0.336 4.676 4.340 -0.000 0.000 0.259 1430 L C 1.012 177.869 176.870 -0.022 0.000 1.185 1430 L CA -0.175 54.653 54.840 -0.020 0.000 0.998 1430 L CB 0.381 42.425 42.059 -0.026 0.000 1.337 1430 L HN 0.294 nan 8.230 nan 0.000 0.555 1431 G N 1.350 110.139 108.800 -0.020 0.000 2.412 1431 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.297 1431 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.297 1431 G C 0.077 174.961 174.900 -0.027 0.000 0.965 1431 G CA 0.476 45.563 45.100 -0.022 0.000 1.134 1431 G HN 0.511 nan 8.290 nan 0.000 0.511 1432 Q N -0.886 118.897 119.800 -0.030 0.000 2.378 1432 Q HA 0.598 4.938 4.340 -0.000 0.000 0.276 1432 Q C 0.299 176.274 176.000 -0.042 0.000 1.083 1432 Q CA -1.165 54.618 55.803 -0.034 0.000 0.856 1432 Q CB 1.470 30.189 28.738 -0.031 0.000 1.383 1432 Q HN 0.352 nan 8.270 nan 0.000 0.458 1433 M N 1.618 121.188 119.600 -0.050 0.000 2.143 1433 M HA 0.312 4.792 4.480 -0.000 0.000 0.348 1433 M C -0.837 175.419 176.300 -0.074 0.000 1.375 1433 M CA -0.157 55.103 55.300 -0.066 0.000 1.124 1433 M CB 0.500 33.053 32.600 -0.079 0.000 1.669 1433 M HN 0.757 nan 8.290 nan 0.000 0.469 1434 A N 7.444 130.218 122.820 -0.076 0.000 2.331 1434 A HA 0.537 4.856 4.320 -0.000 0.000 0.283 1434 A C -2.431 175.089 177.584 -0.107 0.000 1.142 1434 A CA -1.487 50.505 52.037 -0.076 0.000 0.812 1434 A CB -0.243 18.720 19.000 -0.061 0.000 1.074 1434 A HN 0.578 nan 8.150 nan 0.000 0.497 1435 P HA 0.176 nan 4.420 nan 0.000 0.252 1435 P C -0.999 176.208 177.300 -0.156 0.000 1.183 1435 P CA 1.186 64.200 63.100 -0.143 0.000 0.973 1435 P CB -0.356 31.276 31.700 -0.113 0.000 0.990 1436 I N 1.936 122.396 120.570 -0.185 0.000 2.690 1436 I HA 0.235 4.405 4.170 -0.000 0.000 0.286 1436 I C 1.137 177.148 176.117 -0.177 0.000 1.313 1436 I CA -0.562 60.641 61.300 -0.161 0.000 1.070 1436 I CB 1.784 39.712 38.000 -0.120 0.000 1.323 1436 I HN 0.468 nan 8.210 nan 0.000 0.432 1437 G N 4.259 112.963 108.800 -0.159 0.000 2.699 1437 G HA2 -0.413 3.546 3.960 -0.000 0.000 0.347 1437 G HA3 -0.413 3.546 3.960 -0.000 0.000 0.347 1437 G C 1.009 175.800 174.900 -0.182 0.000 1.225 1437 G CA 1.411 46.444 45.100 -0.112 0.000 0.973 1437 G HN 0.529 nan 8.290 nan 0.000 0.551 1438 T N 1.219 115.672 114.554 -0.168 0.000 2.718 1438 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 1438 T C 2.076 176.411 174.700 -0.608 0.000 1.033 1438 T CA 2.653 64.584 62.100 -0.281 0.000 1.151 1438 T CB -0.620 68.148 68.868 -0.166 0.000 0.853 1438 T HN 1.437 nan 8.240 nan 0.000 0.466 1439 G N -0.404 108.134 108.800 -0.437 0.000 3.371 1439 G HA2 0.437 4.397 3.960 -0.000 0.000 0.248 1439 G HA3 0.437 4.397 3.960 -0.000 0.000 0.248 1439 G C 0.867 175.521 174.900 -0.408 0.000 1.161 1439 G CA 0.333 45.175 45.100 -0.429 0.000 0.796 1439 G HN 0.539 nan 8.290 nan 0.000 0.539 1440 A N 0.426 122.966 122.820 -0.466 0.000 2.359 1440 A HA 0.645 4.965 4.320 -0.000 0.000 0.240 1440 A C 0.048 177.607 177.584 -0.043 0.000 1.306 1440 A CA -0.234 51.638 52.037 -0.275 0.000 0.898 1440 A CB -0.812 18.021 19.000 -0.278 0.000 0.956 1440 A HN 0.847 nan 8.150 nan 0.000 0.497 1441 F N -4.309 115.620 119.950 -0.035 0.000 2.829 1441 F HA 0.533 5.060 4.527 -0.000 0.000 0.319 1441 F C -1.710 174.114 175.800 0.039 0.000 1.153 1441 F CA -1.852 56.179 58.000 0.051 0.000 0.912 1441 F CB 0.200 39.297 39.000 0.161 0.000 1.292 1441 F HN -0.156 nan 8.300 nan 0.000 0.447 1442 D N 1.058 121.676 120.400 0.364 0.000 2.272 1442 D HA 0.724 5.364 4.640 -0.000 0.000 0.247 1442 D C -0.801 175.683 176.300 0.306 0.000 0.990 1442 D CA -0.246 53.895 54.000 0.234 0.000 0.931 1442 D CB 2.577 43.455 40.800 0.129 0.000 1.195 1442 D HN 0.506 nan 8.370 nan 0.000 0.477 1443 V N 1.072 121.109 119.914 0.206 0.000 2.864 1443 V HA 0.644 4.764 4.120 -0.000 0.000 0.314 1443 V C 0.055 176.209 176.094 0.101 0.000 1.073 1443 V CA -0.665 61.736 62.300 0.167 0.000 0.956 1443 V CB 1.942 33.867 31.823 0.170 0.000 1.023 1443 V HN 0.480 nan 8.190 nan 0.000 0.435 1444 M N 2.691 122.338 119.600 0.078 0.000 2.622 1444 M HA 0.604 5.083 4.480 -0.000 0.000 0.276 1444 M C -1.914 174.419 176.300 0.054 0.000 1.265 1444 M CA -0.536 54.800 55.300 0.060 0.000 0.850 1444 M CB 2.752 35.382 32.600 0.051 0.000 1.720 1444 M HN 0.438 nan 8.290 nan 0.000 0.465 1445 I N 0.998 121.598 120.570 0.049 0.000 2.307 1445 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 1445 I C -0.409 175.734 176.117 0.043 0.000 1.021 1445 I CA -0.171 61.160 61.300 0.052 0.000 1.224 1445 I CB 0.497 38.526 38.000 0.049 0.000 1.376 1445 I HN 0.382 nan 8.210 nan 0.000 0.470 1446 D N 5.537 125.964 120.400 0.045 0.000 2.453 1446 D HA 0.003 4.643 4.640 -0.000 0.000 0.223 1446 D C 1.317 177.631 176.300 0.024 0.000 1.183 1446 D CA 0.089 54.105 54.000 0.026 0.000 0.933 1446 D CB 0.627 41.435 40.800 0.014 0.000 1.038 1446 D HN 0.587 nan 8.370 nan 0.000 0.513 1447 E N 2.956 123.169 120.200 0.022 0.000 2.187 1447 E HA -0.263 4.086 4.350 -0.000 0.000 0.199 1447 E C 0.755 177.357 176.600 0.002 0.000 1.004 1447 E CA 1.222 57.634 56.400 0.020 0.000 0.813 1447 E CB 0.321 30.031 29.700 0.016 0.000 0.736 1447 E HN 0.630 nan 8.360 nan 0.000 0.468 1448 E N -0.161 120.031 120.200 -0.013 0.000 2.150 1448 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 1448 E C 2.069 178.622 176.600 -0.077 0.000 0.985 1448 E CA 1.263 57.641 56.400 -0.036 0.000 0.814 1448 E CB 0.060 29.739 29.700 -0.034 0.000 0.752 1448 E HN 0.320 nan 8.360 nan 0.000 0.466 1449 S N 0.259 115.905 115.700 -0.089 0.000 2.528 1449 S HA -0.011 4.459 4.470 -0.000 0.000 0.219 1449 S C 1.801 176.278 174.600 -0.206 0.000 0.985 1449 S CA -0.067 58.002 58.200 -0.218 0.000 0.914 1449 S CB 0.112 63.207 63.200 -0.175 0.000 0.776 1449 S HN 0.110 nan 8.310 nan 0.000 0.526 1450 L N 1.471 122.691 121.223 -0.006 0.000 2.313 1450 L HA 0.281 4.621 4.340 -0.000 0.000 0.214 1450 L C 2.054 178.974 176.870 0.082 0.000 1.119 1450 L CA 0.891 55.801 54.840 0.117 0.000 0.809 1450 L CB -0.347 41.767 42.059 0.092 0.000 0.933 1450 L HN 0.194 nan 8.230 nan 0.000 0.449 1451 V N -0.437 119.479 119.914 0.003 0.000 2.300 1451 V HA -0.164 3.955 4.120 -0.000 0.000 0.241 1451 V C 2.177 178.266 176.094 -0.009 0.000 1.034 1451 V CA 1.409 63.712 62.300 0.004 0.000 1.021 1451 V CB -0.422 31.392 31.823 -0.015 0.000 0.662 1451 V HN 0.359 nan 8.190 nan 0.000 0.458 1452 K N -0.623 119.722 120.400 -0.091 0.000 2.589 1452 K HA -0.152 4.168 4.320 -0.000 0.000 0.195 1452 K C 0.748 177.313 176.600 -0.059 0.000 1.042 1452 K CA 1.153 57.371 56.287 -0.114 0.000 0.940 1452 K CB -0.323 32.053 32.500 -0.206 0.000 0.776 1452 K HN 0.579 nan 8.250 nan 0.000 0.487 1453 Y N 1.142 121.444 120.300 0.004 0.000 2.811 1453 Y HA 0.166 4.715 4.550 -0.000 0.000 0.330 1453 Y C 0.203 176.107 175.900 0.006 0.000 1.081 1453 Y CA -0.994 57.109 58.100 0.005 0.000 1.408 1453 Y CB -0.003 38.461 38.460 0.007 0.000 1.235 1453 Y HN 0.048 nan 8.280 nan 0.000 0.529 1454 M N -0.075 119.612 119.600 0.144 0.000 2.238 1454 M HA 0.583 5.063 4.480 -0.000 0.000 0.278 1454 M C -2.955 173.380 176.300 0.057 0.000 1.040 1454 M CA -1.691 53.661 55.300 0.086 0.000 0.969 1454 M CB 1.436 34.075 32.600 0.066 0.000 1.694 1454 M HN -0.148 nan 8.290 nan 0.000 0.472 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.120 63.100 0.033 0.000 0.800 1455 P CB 0.000 31.718 31.700 0.029 0.000 0.726