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 2e2h_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 VPSEXXXXXL VSRGGCGNTQ PTIRKDGLKL VGSWXXXXXX XXXXXXXLRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQAXXXXGRP 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 XXXXLIIRCR 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 DVMI 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 0.000 176.055 176.094 -0.065 0.000 1.182 2 V CA 0.000 62.235 62.300 -0.108 0.000 1.235 2 V CB 0.000 31.758 31.823 -0.108 0.000 1.184 3 G N 3.162 111.937 108.800 -0.042 0.000 2.378 3 G HA2 0.518 4.467 3.960 -0.018 0.000 0.291 3 G HA3 0.518 4.467 3.960 -0.018 0.000 0.291 3 G C 0.092 174.991 174.900 -0.002 0.000 1.421 3 G CA 0.312 45.397 45.100 -0.025 0.000 1.154 3 G HN 0.476 nan 8.290 nan 0.000 0.590 4 Q N 0.783 120.589 119.800 0.010 0.000 2.462 4 Q HA 0.155 4.484 4.340 -0.018 0.000 0.224 4 Q C 0.109 176.123 176.000 0.023 0.000 0.911 4 Q CA 0.538 56.344 55.803 0.005 0.000 0.925 4 Q CB 0.559 29.299 28.738 0.003 0.000 1.063 4 Q HN 0.535 nan 8.270 nan 0.000 0.572 5 Q N 0.484 120.314 119.800 0.050 0.000 2.321 5 Q HA 0.319 4.648 4.340 -0.018 0.000 0.270 5 Q C -1.775 174.314 176.000 0.148 0.000 1.032 5 Q CA -0.792 55.058 55.803 0.079 0.000 0.784 5 Q CB 1.970 30.740 28.738 0.053 0.000 1.264 5 Q HN 0.131 nan 8.270 nan 0.000 0.448 6 Y N 2.864 123.162 120.300 -0.004 0.000 2.531 6 Y HA 0.117 4.656 4.550 -0.018 0.000 0.347 6 Y C 0.280 176.181 175.900 0.002 0.000 1.024 6 Y CA -0.500 57.600 58.100 -0.001 0.000 1.306 6 Y CB 0.275 38.734 38.460 -0.001 0.000 1.149 6 Y HN 0.634 nan 8.280 nan 0.000 0.527 7 S N 2.520 118.161 115.700 -0.098 0.000 2.738 7 S HA 0.299 4.758 4.470 -0.018 0.000 0.284 7 S C 0.253 174.666 174.600 -0.311 0.000 1.146 7 S CA -0.848 57.260 58.200 -0.154 0.000 0.997 7 S CB 1.187 64.351 63.200 -0.060 0.000 1.081 7 S HN 0.572 nan 8.310 nan 0.000 0.553 8 S N 1.045 116.629 115.700 -0.194 0.000 3.399 8 S HA 0.361 4.820 4.470 -0.018 0.000 0.267 8 S C 0.143 174.660 174.600 -0.139 0.000 1.088 8 S CA -0.188 57.908 58.200 -0.173 0.000 1.306 8 S CB -1.972 61.168 63.200 -0.099 0.000 1.601 8 S HN 0.930 nan 8.310 nan 0.000 0.558 9 A N 5.433 128.141 122.820 -0.186 0.000 2.253 9 A HA 0.594 4.903 4.320 -0.018 0.000 0.316 9 A C -2.141 175.422 177.584 -0.035 0.000 1.327 9 A CA -1.348 50.633 52.037 -0.093 0.000 0.917 9 A CB 0.335 19.293 19.000 -0.071 0.000 1.162 9 A HN 0.543 nan 8.150 nan 0.000 0.535 10 P HA 0.305 nan 4.420 nan 0.000 0.227 10 P C -0.724 176.585 177.300 0.014 0.000 1.815 10 P CA -0.464 62.637 63.100 0.001 0.000 1.134 10 P CB 0.442 32.139 31.700 -0.004 0.000 1.795 11 L N 4.028 125.268 121.223 0.029 0.000 2.565 11 L HA 0.206 4.535 4.340 -0.018 0.000 0.275 11 L C -0.128 176.755 176.870 0.021 0.000 1.137 11 L CA 0.827 55.686 54.840 0.033 0.000 0.915 11 L CB -0.384 41.705 42.059 0.049 0.000 1.232 11 L HN 0.139 nan 8.230 nan 0.000 0.473 12 R N 2.852 123.360 120.500 0.014 0.000 2.888 12 R HA 0.650 4.979 4.340 -0.018 0.000 0.266 12 R C -0.404 175.898 176.300 0.004 0.000 1.020 12 R CA -0.701 55.403 56.100 0.008 0.000 0.963 12 R CB 1.416 31.719 30.300 0.004 0.000 1.197 12 R HN 0.593 nan 8.270 nan 0.000 0.481 13 T N -0.463 114.091 114.554 0.000 0.000 2.944 13 T HA 0.402 4.741 4.350 -0.018 0.000 0.284 13 T C 0.341 175.034 174.700 -0.011 0.000 1.010 13 T CA -0.746 61.352 62.100 -0.004 0.000 1.025 13 T CB 1.509 70.375 68.868 -0.004 0.000 1.079 13 T HN 0.158 nan 8.240 nan 0.000 0.516 14 V N 2.608 122.512 119.914 -0.016 0.000 2.583 14 V HA 0.274 4.383 4.120 -0.018 0.000 0.287 14 V C 0.887 176.966 176.094 -0.025 0.000 1.051 14 V CA -0.131 62.153 62.300 -0.026 0.000 1.010 14 V CB 1.048 32.852 31.823 -0.033 0.000 0.988 14 V HN 0.824 nan 8.190 nan 0.000 0.478 15 K N 1.992 122.374 120.400 -0.030 0.000 2.550 15 K HA 0.341 4.651 4.320 -0.018 0.000 0.205 15 K C 0.207 176.789 176.600 -0.031 0.000 1.429 15 K CA 0.176 56.449 56.287 -0.023 0.000 0.997 15 K CB 1.201 33.692 32.500 -0.014 0.000 1.328 15 K HN 0.689 nan 8.250 nan 0.000 0.546 16 E N 1.123 121.292 120.200 -0.052 0.000 2.263 16 E HA 0.326 4.665 4.350 -0.018 0.000 0.268 16 E C -1.491 175.032 176.600 -0.128 0.000 0.884 16 E CA -0.466 55.891 56.400 -0.072 0.000 0.766 16 E CB 2.824 32.486 29.700 -0.063 0.000 1.196 16 E HN -0.246 nan 8.360 nan 0.000 0.416 17 V N 3.848 123.666 119.914 -0.160 0.000 2.409 17 V HA 0.310 4.419 4.120 -0.018 0.000 0.291 17 V C -0.354 175.500 176.094 -0.400 0.000 1.020 17 V CA -0.626 61.492 62.300 -0.304 0.000 0.848 17 V CB 1.620 33.268 31.823 -0.292 0.000 0.990 17 V HN 0.567 nan 8.190 nan 0.000 0.430 18 Q N 4.279 123.755 119.800 -0.539 0.000 2.303 18 Q HA 0.480 4.809 4.340 -0.018 0.000 0.267 18 Q C -1.578 174.071 176.000 -0.586 0.000 1.011 18 Q CA -0.388 55.119 55.803 -0.493 0.000 0.740 18 Q CB 1.751 30.184 28.738 -0.509 0.000 1.250 18 Q HN 0.592 nan 8.270 nan 0.000 0.458 19 F N 0.784 120.598 119.950 -0.227 0.000 2.371 19 F HA 0.764 5.280 4.527 -0.018 0.000 0.329 19 F C 1.296 176.984 175.800 -0.186 0.000 1.107 19 F CA 0.289 58.183 58.000 -0.178 0.000 1.137 19 F CB 1.569 40.507 39.000 -0.104 0.000 1.214 19 F HN 0.607 nan 8.300 nan 0.000 0.536 20 G N 0.757 109.585 108.800 0.047 0.000 2.588 20 G HA2 0.644 4.593 3.960 -0.018 0.000 0.281 20 G HA3 0.644 4.593 3.960 -0.018 0.000 0.281 20 G C -1.830 173.095 174.900 0.041 0.000 1.223 20 G CA -0.848 44.278 45.100 0.043 0.000 0.871 20 G HN 0.503 nan 8.290 nan 0.000 0.492 21 L N -0.651 120.595 121.223 0.037 0.000 2.327 21 L HA 0.617 4.946 4.340 -0.018 0.000 0.258 21 L C -1.200 175.581 176.870 -0.149 0.000 1.024 21 L CA -0.833 54.028 54.840 0.035 0.000 0.825 21 L CB 2.544 44.691 42.059 0.147 0.000 1.386 21 L HN 0.415 nan 8.230 nan 0.000 0.417 22 F N 0.657 120.574 119.950 -0.055 0.000 2.411 22 F HA 0.252 4.769 4.527 -0.018 0.000 0.355 22 F C 0.685 176.215 175.800 -0.450 0.000 1.117 22 F CA -0.351 57.520 58.000 -0.216 0.000 1.139 22 F CB 1.636 40.559 39.000 -0.128 0.000 1.120 22 F HN 0.382 nan 8.300 nan 0.000 0.493 23 S N 4.892 120.176 115.700 -0.694 0.000 2.513 23 S HA 0.268 4.727 4.470 -0.018 0.000 0.276 23 S C -1.770 172.539 174.600 -0.485 0.000 1.254 23 S CA -1.380 56.075 58.200 -1.241 0.000 1.053 23 S CB 1.334 63.395 63.200 -1.900 0.000 0.958 23 S HN 0.425 nan 8.310 nan 0.000 0.491 24 P HA -0.168 nan 4.420 nan 0.000 0.222 24 P C 1.008 178.225 177.300 -0.139 0.000 1.142 24 P CA 1.071 64.090 63.100 -0.135 0.000 0.788 24 P CB 0.198 31.877 31.700 -0.034 0.000 0.767 25 E N 0.206 120.294 120.200 -0.186 0.000 2.076 25 E HA -0.137 4.202 4.350 -0.018 0.000 0.190 25 E C 1.988 178.502 176.600 -0.144 0.000 0.979 25 E CA 0.698 57.021 56.400 -0.128 0.000 0.807 25 E CB 0.014 29.665 29.700 -0.081 0.000 0.761 25 E HN 0.241 nan 8.360 nan 0.000 0.454 26 E N 0.037 120.117 120.200 -0.199 0.000 2.008 26 E HA -0.144 4.195 4.350 -0.018 0.000 0.191 26 E C 2.263 178.820 176.600 -0.071 0.000 0.986 26 E CA 1.203 57.533 56.400 -0.117 0.000 0.807 26 E CB 0.031 29.664 29.700 -0.112 0.000 0.766 26 E HN 0.112 nan 8.360 nan 0.000 0.450 27 V N 1.744 121.617 119.914 -0.068 0.000 2.317 27 V HA -0.317 3.792 4.120 -0.018 0.000 0.251 27 V C 2.332 178.332 176.094 -0.156 0.000 1.065 27 V CA 1.899 64.137 62.300 -0.103 0.000 1.049 27 V CB -0.591 31.157 31.823 -0.125 0.000 0.651 27 V HN 0.240 nan 8.190 nan 0.000 0.450 28 R N -0.306 120.062 120.500 -0.221 0.000 2.148 28 R HA 0.029 4.358 4.340 -0.018 0.000 0.223 28 R C 2.097 178.241 176.300 -0.260 0.000 1.088 28 R CA 1.309 57.176 56.100 -0.387 0.000 0.985 28 R CB -0.317 29.792 30.300 -0.318 0.000 0.880 28 R HN 0.558 nan 8.270 nan 0.000 0.451 29 A N -0.072 122.661 122.820 -0.144 0.000 2.267 29 A HA 0.115 4.424 4.320 -0.018 0.000 0.213 29 A C 1.700 179.257 177.584 -0.046 0.000 1.192 29 A CA 0.064 52.050 52.037 -0.085 0.000 0.851 29 A CB 0.140 19.102 19.000 -0.063 0.000 0.881 29 A HN 0.190 nan 8.150 nan 0.000 0.494 30 I N 0.061 120.609 120.570 -0.037 0.000 3.941 30 I HA 0.025 4.184 4.170 -0.018 0.000 0.321 30 I C 1.175 177.320 176.117 0.047 0.000 1.284 30 I CA 0.410 61.719 61.300 0.015 0.000 1.226 30 I CB 0.263 38.286 38.000 0.038 0.000 1.045 30 I HN 0.367 nan 8.210 nan 0.000 0.420 31 S N -0.137 115.577 115.700 0.023 0.000 2.600 31 S HA 0.168 4.627 4.470 -0.018 0.000 0.265 31 S C 0.772 175.427 174.600 0.091 0.000 1.325 31 S CA 0.024 58.285 58.200 0.102 0.000 1.002 31 S CB 1.714 65.015 63.200 0.168 0.000 0.921 31 S HN 0.173 nan 8.310 nan 0.000 0.554 32 V N -3.266 116.714 119.914 0.110 0.000 3.426 32 V HA 0.654 4.763 4.120 -0.018 0.000 0.271 32 V C 0.468 176.597 176.094 0.058 0.000 1.530 32 V CA 0.131 62.464 62.300 0.054 0.000 1.021 32 V CB -0.753 31.069 31.823 -0.003 0.000 0.824 32 V HN 1.095 nan 8.190 nan 0.000 0.432 33 A N 0.591 123.464 122.820 0.087 0.000 2.337 33 A HA 0.727 5.036 4.320 -0.018 0.000 0.329 33 A C 0.675 178.237 177.584 -0.037 0.000 1.146 33 A CA -0.456 51.595 52.037 0.023 0.000 0.800 33 A CB 1.630 20.627 19.000 -0.005 0.000 1.220 33 A HN 0.258 nan 8.150 nan 0.000 0.472 34 K N 1.332 121.677 120.400 -0.092 0.000 2.137 34 K HA 0.142 4.451 4.320 -0.018 0.000 0.202 34 K C -0.207 176.207 176.600 -0.310 0.000 1.052 34 K CA 0.479 56.655 56.287 -0.186 0.000 0.961 34 K CB -0.124 32.315 32.500 -0.101 0.000 0.741 34 K HN 0.666 nan 8.250 nan 0.000 0.452 35 I N 2.231 122.669 120.570 -0.220 0.000 7.154 35 I HA -0.336 3.823 4.170 -0.018 0.000 0.126 35 I C 0.765 176.720 176.117 -0.270 0.000 1.808 35 I CA 0.688 61.861 61.300 -0.213 0.000 2.123 35 I CB -1.672 36.198 38.000 -0.216 0.000 3.552 35 I HN 0.348 nan 8.210 nan 0.000 0.195 36 R N 1.150 121.449 120.500 -0.335 0.000 2.057 36 R HA 0.161 4.490 4.340 -0.018 0.000 0.224 36 R C 0.361 176.226 176.300 -0.726 0.000 1.136 36 R CA 1.348 57.052 56.100 -0.661 0.000 0.968 36 R CB 0.272 29.951 30.300 -1.035 0.000 0.863 36 R HN 0.308 nan 8.270 nan 0.000 0.433 37 F N 0.614 120.522 119.950 -0.069 0.000 2.520 37 F HA 0.419 4.935 4.527 -0.018 0.000 0.322 37 F C -2.117 173.640 175.800 -0.071 0.000 1.103 37 F CA -3.099 54.864 58.000 -0.063 0.000 0.926 37 F CB 1.492 40.460 39.000 -0.053 0.000 1.154 37 F HN -0.127 nan 8.300 nan 0.000 0.453 38 P HA 0.212 nan 4.420 nan 0.000 0.279 38 P C 0.124 177.441 177.300 0.028 0.000 1.282 38 P CA -0.307 62.808 63.100 0.024 0.000 0.788 38 P CB 1.379 33.069 31.700 -0.017 0.000 1.139 39 E N -1.072 119.110 120.200 -0.029 0.000 2.121 39 E HA -0.009 4.330 4.350 -0.018 0.000 0.194 39 E C 0.383 176.931 176.600 -0.088 0.000 0.940 39 E CA 1.408 57.762 56.400 -0.077 0.000 0.884 39 E CB 0.339 29.972 29.700 -0.111 0.000 0.874 39 E HN 0.623 nan 8.360 nan 0.000 0.471 40 T N -2.339 112.167 114.554 -0.080 0.000 3.579 40 T HA 0.149 4.488 4.350 -0.018 0.000 0.182 40 T C 1.303 175.970 174.700 -0.055 0.000 0.819 40 T CA -0.268 61.786 62.100 -0.076 0.000 0.959 40 T CB -0.084 68.720 68.868 -0.107 0.000 1.037 40 T HN -0.047 nan 8.240 nan 0.000 0.303 41 M N 1.594 121.160 119.600 -0.058 0.000 2.348 41 M HA 0.428 4.897 4.480 -0.018 0.000 0.206 41 M C -0.721 175.552 176.300 -0.045 0.000 1.286 41 M CA 0.612 55.884 55.300 -0.046 0.000 1.229 41 M CB 0.050 32.623 32.600 -0.044 0.000 1.052 41 M HN 0.139 nan 8.290 nan 0.000 0.466 42 D N 2.572 122.944 120.400 -0.046 0.000 2.401 42 D HA 0.038 4.668 4.640 -0.018 0.000 0.254 42 D C -0.355 175.915 176.300 -0.050 0.000 1.192 42 D CA 0.258 54.232 54.000 -0.044 0.000 0.885 42 D CB 0.247 41.023 40.800 -0.040 0.000 1.147 42 D HN 0.235 nan 8.370 nan 0.000 0.478 43 E N 1.837 122.005 120.200 -0.054 0.000 2.136 43 E HA 0.075 4.414 4.350 -0.018 0.000 0.246 43 E C -0.682 175.882 176.600 -0.060 0.000 1.017 43 E CA -0.741 55.618 56.400 -0.067 0.000 0.883 43 E CB -0.427 29.223 29.700 -0.084 0.000 1.199 43 E HN 0.169 nan 8.360 nan 0.000 0.447 44 T N 3.794 118.317 114.554 -0.052 0.000 2.487 44 T HA -0.213 4.126 4.350 -0.018 0.000 0.490 44 T C 0.047 174.724 174.700 -0.039 0.000 0.794 44 T CA 1.098 63.173 62.100 -0.042 0.000 3.697 44 T CB -1.056 67.788 68.868 -0.040 0.000 0.878 44 T HN 0.595 nan 8.240 nan 0.000 0.259 45 Q N -0.351 119.428 119.800 -0.035 0.000 2.409 45 Q HA 0.119 4.448 4.340 -0.018 0.000 0.345 45 Q C -0.318 175.662 176.000 -0.034 0.000 0.847 45 Q CA -0.448 55.334 55.803 -0.035 0.000 1.092 45 Q CB 0.425 29.145 28.738 -0.030 0.000 1.377 45 Q HN 0.477 nan 8.270 nan 0.000 0.399 46 T N 1.609 116.141 114.554 -0.036 0.000 2.751 46 T HA 0.077 4.416 4.350 -0.018 0.000 0.279 46 T C 0.642 175.323 174.700 -0.032 0.000 0.941 46 T CA 0.133 62.213 62.100 -0.033 0.000 1.192 46 T CB -0.029 68.818 68.868 -0.035 0.000 0.883 46 T HN 0.199 nan 8.240 nan 0.000 0.534 47 R N 2.252 122.735 120.500 -0.029 0.000 4.860 47 R HA 0.414 4.743 4.340 -0.018 0.000 0.191 47 R C 0.930 177.214 176.300 -0.027 0.000 1.936 47 R CA -0.263 55.819 56.100 -0.029 0.000 1.609 47 R CB -0.304 29.979 30.300 -0.029 0.000 1.392 47 R HN 0.732 nan 8.270 nan 0.000 0.844 48 A N 0.413 123.217 122.820 -0.027 0.000 2.905 48 A HA 0.500 4.809 4.320 -0.018 0.000 0.193 48 A C -0.726 176.844 177.584 -0.024 0.000 1.268 48 A CA -0.393 51.630 52.037 -0.023 0.000 1.416 48 A CB 0.846 19.834 19.000 -0.020 0.000 1.753 48 A HN 0.209 nan 8.150 nan 0.000 0.583 49 K N 0.240 120.627 120.400 -0.021 0.000 2.443 49 K HA 0.619 4.928 4.320 -0.018 0.000 0.251 49 K C -1.054 175.536 176.600 -0.017 0.000 0.972 49 K CA -0.718 55.558 56.287 -0.019 0.000 0.833 49 K CB 2.211 34.703 32.500 -0.013 0.000 1.317 49 K HN 0.664 nan 8.250 nan 0.000 0.441 50 I N -2.562 118.001 120.570 -0.012 0.000 3.100 50 I HA 0.506 4.666 4.170 -0.018 0.000 0.312 50 I C 0.209 176.339 176.117 0.021 0.000 1.063 50 I CA -0.650 60.649 61.300 -0.002 0.000 1.031 50 I CB 1.166 39.164 38.000 -0.004 0.000 1.243 50 I HN 0.722 nan 8.210 nan 0.000 0.483 51 G N 0.481 109.308 108.800 0.045 0.000 3.943 51 G HA2 0.490 4.439 3.960 -0.018 0.000 0.275 51 G HA3 0.490 4.439 3.960 -0.018 0.000 0.275 51 G C 0.447 175.429 174.900 0.137 0.000 1.234 51 G CA 0.214 45.356 45.100 0.070 0.000 1.522 51 G HN 1.168 nan 8.290 nan 0.000 0.636 52 G N -0.436 108.433 108.800 0.115 0.000 2.351 52 G HA2 0.342 4.291 3.960 -0.018 0.000 0.169 52 G HA3 0.342 4.291 3.960 -0.018 0.000 0.169 52 G C -0.284 174.625 174.900 0.015 0.000 1.484 52 G CA -0.058 45.115 45.100 0.122 0.000 0.715 52 G HN 0.405 nan 8.290 nan 0.000 1.084 53 L N 1.389 122.616 121.223 0.007 0.000 2.513 53 L HA 0.364 4.693 4.340 -0.018 0.000 0.261 53 L C -1.258 175.593 176.870 -0.030 0.000 0.945 53 L CA -0.615 54.206 54.840 -0.032 0.000 0.848 53 L CB 1.871 43.904 42.059 -0.044 0.000 1.334 53 L HN 0.405 nan 8.230 nan 0.000 0.407 54 N N 2.178 120.854 118.700 -0.040 0.000 2.614 54 N HA -0.236 4.493 4.740 -0.018 0.000 0.276 54 N C -0.514 174.986 175.510 -0.017 0.000 1.119 54 N CA 1.393 54.423 53.050 -0.034 0.000 0.742 54 N CB -1.034 37.429 38.487 -0.040 0.000 0.900 54 N HN 0.918 nan 8.380 nan 0.000 0.549 55 D N -1.593 118.803 120.400 -0.007 0.000 1.083 55 D HA 0.042 4.671 4.640 -0.018 0.000 0.827 55 D C -2.784 173.521 176.300 0.008 0.000 0.597 55 D CA 0.578 54.581 54.000 0.005 0.000 1.220 55 D CB -0.427 40.374 40.800 0.002 0.000 1.950 55 D HN 0.391 nan 8.370 nan 0.000 0.370 56 P HA 0.418 nan 4.420 nan 0.000 0.274 56 P C -0.476 176.821 177.300 -0.005 0.000 1.504 56 P CA 0.097 63.196 63.100 -0.001 0.000 1.011 56 P CB 0.353 32.056 31.700 0.004 0.000 1.366 57 R N 2.111 122.600 120.500 -0.018 0.000 2.552 57 R HA 0.297 4.626 4.340 -0.018 0.000 0.314 57 R C 1.083 177.365 176.300 -0.030 0.000 1.041 57 R CA -0.577 55.498 56.100 -0.041 0.000 1.076 57 R CB 0.060 30.311 30.300 -0.082 0.000 1.290 57 R HN 0.382 nan 8.270 nan 0.000 0.563 58 L N 0.195 121.444 121.223 0.044 0.000 2.356 58 L HA -0.005 4.324 4.340 -0.018 0.000 0.241 58 L C 1.283 178.245 176.870 0.154 0.000 1.242 58 L CA 0.314 55.253 54.840 0.165 0.000 0.820 58 L CB 0.170 42.278 42.059 0.080 0.000 1.124 58 L HN 0.278 nan 8.230 nan 0.000 0.584 59 G N -0.391 108.485 108.800 0.126 0.000 2.588 59 G HA2 0.387 4.337 3.960 -0.018 0.000 0.278 59 G HA3 0.387 4.337 3.960 -0.018 0.000 0.278 59 G C -0.582 174.330 174.900 0.020 0.000 1.307 59 G CA 0.128 45.265 45.100 0.061 0.000 1.016 59 G HN 0.709 nan 8.290 nan 0.000 0.503 60 S N -1.816 113.888 115.700 0.006 0.000 2.715 60 S HA 0.595 5.054 4.470 -0.018 0.000 0.307 60 S C 0.758 175.351 174.600 -0.011 0.000 1.119 60 S CA -0.165 58.034 58.200 -0.002 0.000 0.937 60 S CB 1.787 64.989 63.200 0.003 0.000 1.150 60 S HN 0.864 nan 8.310 nan 0.000 0.521 61 I N -2.856 117.708 120.570 -0.010 0.000 3.443 61 I HA 0.425 4.584 4.170 -0.018 0.000 0.277 61 I C 0.319 176.431 176.117 -0.008 0.000 1.169 61 I CA -0.056 61.237 61.300 -0.011 0.000 1.419 61 I CB -0.177 37.815 38.000 -0.012 0.000 1.331 61 I HN 0.433 nan 8.210 nan 0.000 0.458 62 D N 3.872 124.268 120.400 -0.008 0.000 2.545 62 D HA 0.080 4.709 4.640 -0.018 0.000 0.227 62 D C 0.051 176.348 176.300 -0.006 0.000 1.150 62 D CA -0.225 53.771 54.000 -0.007 0.000 1.046 62 D CB -0.059 40.735 40.800 -0.009 0.000 1.098 62 D HN 0.283 nan 8.370 nan 0.000 0.502 63 R N 0.908 121.405 120.500 -0.005 0.000 2.053 63 R HA -0.255 4.074 4.340 -0.018 0.000 0.197 63 R C -0.185 176.113 176.300 -0.004 0.000 0.634 63 R CA 0.412 56.509 56.100 -0.005 0.000 0.415 63 R CB -1.490 28.807 30.300 -0.005 0.000 1.415 63 R HN 0.166 nan 8.270 nan 0.000 0.550 64 N N -0.132 118.567 118.700 -0.003 0.000 3.002 64 N HA 0.444 5.173 4.740 -0.018 0.000 0.331 64 N C 0.684 176.197 175.510 0.004 0.000 1.384 64 N CA -0.775 52.275 53.050 -0.000 0.000 0.780 64 N CB 0.595 39.081 38.487 -0.001 0.000 1.492 64 N HN 0.143 nan 8.380 nan 0.000 0.608 65 L N -1.515 119.712 121.223 0.007 0.000 2.425 65 L HA 0.502 4.831 4.340 -0.018 0.000 0.215 65 L C 0.484 177.367 176.870 0.021 0.000 1.065 65 L CA 0.467 55.315 54.840 0.013 0.000 0.842 65 L CB -1.116 40.950 42.059 0.012 0.000 1.033 65 L HN 0.188 nan 8.230 nan 0.000 0.474 66 K N 1.146 121.555 120.400 0.015 0.000 2.216 66 K HA -0.033 4.276 4.320 -0.018 0.000 0.252 66 K C -0.322 176.297 176.600 0.032 0.000 1.335 66 K CA 0.354 56.651 56.287 0.017 0.000 1.323 66 K CB -0.773 31.732 32.500 0.009 0.000 0.776 66 K HN 0.446 nan 8.250 nan 0.000 0.491 67 C N 1.272 120.594 119.300 0.037 0.000 3.459 67 C HA 0.370 4.819 4.460 -0.018 0.000 0.358 67 C C -0.775 174.210 174.990 -0.008 0.000 2.992 67 C CA -0.858 58.191 59.018 0.053 0.000 1.568 67 C CB 1.604 29.421 27.740 0.129 0.000 3.388 67 C HN 0.734 nan 8.230 nan 0.000 0.515 68 Q N 0.885 120.640 119.800 -0.076 0.000 2.421 68 Q HA 0.247 4.576 4.340 -0.018 0.000 0.242 68 Q C 0.078 176.038 176.000 -0.067 0.000 1.024 68 Q CA 0.566 56.313 55.803 -0.093 0.000 0.891 68 Q CB -0.026 28.621 28.738 -0.152 0.000 1.222 68 Q HN 0.979 nan 8.270 nan 0.000 0.483 69 T N -0.349 114.188 114.554 -0.029 0.000 4.700 69 T HA -0.228 4.112 4.350 -0.018 0.000 0.326 69 T C 0.358 175.063 174.700 0.008 0.000 0.923 69 T CA 1.042 63.135 62.100 -0.011 0.000 2.025 69 T CB -2.615 66.244 68.868 -0.015 0.000 2.058 69 T HN 0.753 nan 8.240 nan 0.000 0.896 70 C N 2.145 121.460 119.300 0.026 0.000 2.520 70 C HA 0.327 4.776 4.460 -0.018 0.000 0.369 70 C C 1.822 176.836 174.990 0.039 0.000 1.244 70 C CA -0.479 58.576 59.018 0.062 0.000 1.677 70 C CB -0.110 27.708 27.740 0.129 0.000 2.324 70 C HN 0.541 nan 8.230 nan 0.000 0.557 71 Q N 1.554 121.371 119.800 0.029 0.000 1.367 71 Q HA 0.059 4.388 4.340 -0.018 0.000 0.686 71 Q C 1.603 177.616 176.000 0.021 0.000 0.896 71 Q CA 0.666 56.481 55.803 0.020 0.000 0.883 71 Q CB 0.022 28.769 28.738 0.015 0.000 1.471 71 Q HN 0.716 nan 8.270 nan 0.000 0.308 72 E N -1.394 118.817 120.200 0.017 0.000 3.989 72 E HA -0.299 4.040 4.350 -0.018 0.000 0.213 72 E C 0.366 176.973 176.600 0.011 0.000 1.243 72 E CA 1.898 58.307 56.400 0.015 0.000 2.156 72 E CB -1.670 28.042 29.700 0.020 0.000 1.852 72 E HN 0.638 nan 8.360 nan 0.000 0.298 73 G N -0.421 108.386 108.800 0.012 0.000 2.340 73 G HA2 0.168 4.117 3.960 -0.018 0.000 0.527 73 G HA3 0.168 4.117 3.960 -0.018 0.000 0.527 73 G C 0.361 175.263 174.900 0.003 0.000 1.381 73 G CA 0.321 45.425 45.100 0.006 0.000 1.001 73 G HN 0.460 nan 8.290 nan 0.000 0.626 74 M N 0.094 119.692 119.600 -0.003 0.000 2.747 74 M HA 0.255 4.724 4.480 -0.018 0.000 0.221 74 M C 0.906 177.198 176.300 -0.014 0.000 1.107 74 M CA 1.269 56.562 55.300 -0.011 0.000 1.031 74 M CB -0.203 32.389 32.600 -0.014 0.000 1.727 74 M HN 0.425 nan 8.290 nan 0.000 0.517 75 N N 0.352 119.047 118.700 -0.008 0.000 2.356 75 N HA -0.052 4.677 4.740 -0.018 0.000 0.178 75 N C 1.246 176.752 175.510 -0.007 0.000 1.075 75 N CA 0.674 53.719 53.050 -0.008 0.000 0.889 75 N CB 0.496 38.979 38.487 -0.006 0.000 0.999 75 N HN 0.536 nan 8.380 nan 0.000 0.464 76 E N 0.131 120.328 120.200 -0.004 0.000 2.406 76 E HA 0.058 4.397 4.350 -0.018 0.000 0.204 76 E C 0.241 176.837 176.600 -0.007 0.000 0.820 76 E CA -0.070 56.330 56.400 -0.000 0.000 1.136 76 E CB -0.306 29.400 29.700 0.010 0.000 1.129 76 E HN 0.214 nan 8.360 nan 0.000 0.530 77 C N 4.213 123.508 119.300 -0.008 0.000 2.648 77 C HA 0.349 4.798 4.460 -0.018 0.000 0.406 77 C C -1.334 173.591 174.990 -0.108 0.000 1.406 77 C CA -0.949 58.051 59.018 -0.030 0.000 1.610 77 C CB 0.190 27.936 27.740 0.010 0.000 2.451 77 C HN 0.329 nan 8.230 nan 0.000 0.608 78 P HA 0.283 nan 4.420 nan 0.000 0.261 78 P C 0.528 177.692 177.300 -0.226 0.000 1.352 78 P CA 0.863 63.883 63.100 -0.134 0.000 0.891 78 P CB -0.287 31.375 31.700 -0.063 0.000 1.383 79 G N 1.439 109.971 108.800 -0.448 0.000 3.285 79 G HA2 -0.125 3.825 3.960 -0.018 0.000 0.685 79 G HA3 -0.125 3.825 3.960 -0.018 0.000 0.685 79 G C -1.189 173.422 174.900 -0.482 0.000 0.938 79 G CA -0.824 43.968 45.100 -0.512 0.000 0.778 79 G HN 0.514 nan 8.290 nan 0.000 0.515 80 H N 0.867 119.908 119.070 -0.048 0.000 2.489 80 H HA 0.655 5.200 4.556 -0.018 0.000 0.343 80 H C 0.048 175.378 175.328 0.003 0.000 1.086 80 H CA -1.431 54.637 56.048 0.033 0.000 1.198 80 H CB 0.758 30.550 29.762 0.050 0.000 1.490 80 H HN 0.437 nan 8.280 nan 0.000 0.504 81 F N 1.575 121.589 119.950 0.106 0.000 2.572 81 F HA 0.331 4.847 4.527 -0.018 0.000 0.370 81 F C 1.498 177.329 175.800 0.053 0.000 1.103 81 F CA 1.039 59.066 58.000 0.044 0.000 1.286 81 F CB 0.674 39.667 39.000 -0.012 0.000 1.105 81 F HN 0.782 nan 8.300 nan 0.000 0.583 82 G N 1.258 110.167 108.800 0.181 0.000 2.795 82 G HA2 0.551 4.500 3.960 -0.018 0.000 0.267 82 G HA3 0.551 4.500 3.960 -0.018 0.000 0.267 82 G C -1.652 173.365 174.900 0.196 0.000 1.362 82 G CA -0.687 44.507 45.100 0.156 0.000 1.048 82 G HN 0.804 nan 8.290 nan 0.000 0.547 83 H N -2.168 116.907 119.070 0.008 0.000 2.768 83 H HA 0.713 5.258 4.556 -0.018 0.000 0.371 83 H C -1.333 173.973 175.328 -0.036 0.000 1.151 83 H CA -1.156 54.883 56.048 -0.016 0.000 1.165 83 H CB 2.287 32.031 29.762 -0.030 0.000 1.722 83 H HN 0.411 nan 8.280 nan 0.000 0.543 84 I N 2.821 123.326 120.570 -0.107 0.000 2.389 84 I HA 0.211 4.370 4.170 -0.018 0.000 0.288 84 I C -0.779 175.291 176.117 -0.078 0.000 0.999 84 I CA -0.535 60.662 61.300 -0.172 0.000 1.129 84 I CB 1.332 39.255 38.000 -0.129 0.000 1.288 84 I HN 0.834 nan 8.210 nan 0.000 0.444 85 D N 7.758 128.095 120.400 -0.105 0.000 2.348 85 D HA 0.295 4.924 4.640 -0.018 0.000 0.253 85 D C -0.169 176.118 176.300 -0.021 0.000 1.161 85 D CA 0.119 54.110 54.000 -0.014 0.000 0.876 85 D CB 1.308 42.096 40.800 -0.020 0.000 1.160 85 D HN 0.378 nan 8.370 nan 0.000 0.459 86 L N 2.036 123.264 121.223 0.008 0.000 2.325 86 L HA 0.382 4.711 4.340 -0.018 0.000 0.279 86 L C 1.382 178.257 176.870 0.009 0.000 1.054 86 L CA -0.596 54.249 54.840 0.008 0.000 0.804 86 L CB 1.682 43.755 42.059 0.022 0.000 1.200 86 L HN 0.423 nan 8.230 nan 0.000 0.436 87 A N 4.009 126.833 122.820 0.008 0.000 1.822 87 A HA 0.036 4.345 4.320 -0.018 0.000 0.214 87 A C 0.780 178.374 177.584 0.017 0.000 1.245 87 A CA 0.932 52.975 52.037 0.010 0.000 0.608 87 A CB -0.080 18.927 19.000 0.012 0.000 0.896 87 A HN 0.628 nan 8.150 nan 0.000 0.457 88 K N 0.992 121.406 120.400 0.024 0.000 2.248 88 K HA 0.364 4.673 4.320 -0.018 0.000 0.281 88 K C -2.626 173.987 176.600 0.020 0.000 1.054 88 K CA -1.978 54.324 56.287 0.024 0.000 0.903 88 K CB 0.790 33.309 32.500 0.033 0.000 1.077 88 K HN 0.152 nan 8.250 nan 0.000 0.474 89 P HA -0.089 nan 4.420 nan 0.000 0.268 89 P C -0.769 176.509 177.300 -0.036 0.000 1.189 89 P CA -0.018 63.077 63.100 -0.008 0.000 0.771 89 P CB 0.541 32.228 31.700 -0.022 0.000 0.822 90 V N 2.583 122.479 119.914 -0.030 0.000 3.049 90 V HA 0.350 4.459 4.120 -0.018 0.000 0.309 90 V C -0.173 175.925 176.094 0.007 0.000 1.148 90 V CA -0.665 61.633 62.300 -0.003 0.000 0.990 90 V CB 1.643 33.522 31.823 0.095 0.000 1.039 90 V HN 0.345 nan 8.190 nan 0.000 0.430 91 F N 2.882 122.899 119.950 0.112 0.000 2.535 91 F HA 0.238 4.754 4.527 -0.018 0.000 0.332 91 F C 0.901 176.796 175.800 0.158 0.000 1.208 91 F CA 0.449 58.532 58.000 0.139 0.000 1.330 91 F CB 0.193 39.264 39.000 0.118 0.000 1.167 91 F HN 0.490 nan 8.300 nan 0.000 0.597 92 H N 0.117 119.392 119.070 0.342 0.000 2.517 92 H HA 0.356 4.901 4.556 -0.018 0.000 0.346 92 H C 0.468 175.895 175.328 0.165 0.000 1.222 92 H CA -0.452 55.757 56.048 0.268 0.000 1.314 92 H CB 1.773 31.781 29.762 0.409 0.000 1.609 92 H HN 0.407 nan 8.280 nan 0.000 0.571 93 V N 0.985 120.935 119.914 0.059 0.000 2.672 93 V HA 0.068 4.177 4.120 -0.018 0.000 0.242 93 V C 2.054 178.034 176.094 -0.191 0.000 1.059 93 V CA 1.199 63.460 62.300 -0.065 0.000 1.081 93 V CB -0.334 31.398 31.823 -0.151 0.000 0.752 93 V HN 0.879 nan 8.190 nan 0.000 0.472 94 G N -1.487 106.992 108.800 -0.537 0.000 3.262 94 G HA2 0.100 4.049 3.960 -0.018 0.000 0.228 94 G HA3 0.100 4.049 3.960 -0.018 0.000 0.228 94 G C 0.735 175.059 174.900 -0.959 0.000 1.197 94 G CA 0.109 44.567 45.100 -1.069 0.000 0.819 94 G HN 0.507 nan 8.290 nan 0.000 0.531 95 F N -0.609 119.219 119.950 -0.204 0.000 2.746 95 F HA 0.341 4.857 4.527 -0.018 0.000 0.320 95 F C 1.895 177.684 175.800 -0.020 0.000 1.097 95 F CA -0.586 57.346 58.000 -0.113 0.000 1.195 95 F CB 0.559 39.505 39.000 -0.091 0.000 1.056 95 F HN 0.003 nan 8.300 nan 0.000 0.562 96 I N 0.720 121.350 120.570 0.101 0.000 2.208 96 I HA -0.303 3.856 4.170 -0.018 0.000 0.245 96 I C 2.671 178.812 176.117 0.042 0.000 1.097 96 I CA 1.563 62.899 61.300 0.060 0.000 1.363 96 I CB -1.320 36.664 38.000 -0.027 0.000 1.051 96 I HN 0.146 nan 8.210 nan 0.000 0.413 97 A N 0.854 123.676 122.820 0.003 0.000 1.849 97 A HA -0.253 4.056 4.320 -0.018 0.000 0.217 97 A C 2.441 180.031 177.584 0.010 0.000 1.202 97 A CA 1.860 53.886 52.037 -0.019 0.000 0.629 97 A CB -0.636 18.331 19.000 -0.054 0.000 0.834 97 A HN 0.308 nan 8.150 nan 0.000 0.447 98 K N -0.836 119.600 120.400 0.060 0.000 2.026 98 K HA -0.078 4.232 4.320 -0.018 0.000 0.208 98 K C 1.937 178.634 176.600 0.161 0.000 1.048 98 K CA 1.461 57.811 56.287 0.105 0.000 0.929 98 K CB -0.420 32.139 32.500 0.098 0.000 0.713 98 K HN 0.532 nan 8.250 nan 0.000 0.439 99 I N 1.436 122.117 120.570 0.185 0.000 2.145 99 I HA -0.369 3.790 4.170 -0.018 0.000 0.244 99 I C 2.625 178.893 176.117 0.251 0.000 1.075 99 I CA 1.385 62.831 61.300 0.245 0.000 1.332 99 I CB -0.209 37.973 38.000 0.303 0.000 1.033 99 I HN 0.121 nan 8.210 nan 0.000 0.410 100 K N 1.167 121.671 120.400 0.173 0.000 2.026 100 K HA -0.193 4.116 4.320 -0.018 0.000 0.208 100 K C 2.069 178.782 176.600 0.188 0.000 1.048 100 K CA 1.662 58.042 56.287 0.154 0.000 0.929 100 K CB -0.131 32.423 32.500 0.090 0.000 0.713 100 K HN 0.325 nan 8.250 nan 0.000 0.439 101 K N 0.113 120.576 120.400 0.104 0.000 2.148 101 K HA -0.070 4.239 4.320 -0.018 0.000 0.204 101 K C 2.033 178.824 176.600 0.319 0.000 1.050 101 K CA 1.001 57.294 56.287 0.010 0.000 0.942 101 K CB 0.076 32.359 32.500 -0.362 0.000 0.724 101 K HN -0.056 nan 8.250 nan 0.000 0.446 102 V N 0.341 120.481 119.914 0.377 0.000 2.407 102 V HA -0.193 3.916 4.120 -0.018 0.000 0.245 102 V C 1.987 178.339 176.094 0.429 0.000 1.041 102 V CA 1.194 63.772 62.300 0.463 0.000 1.040 102 V CB -0.142 31.931 31.823 0.418 0.000 0.671 102 V HN 0.370 nan 8.190 nan 0.000 0.455 103 C N 0.202 119.729 119.300 0.378 0.000 2.539 103 C HA 0.064 4.513 4.460 -0.018 0.000 0.271 103 C C 2.018 177.138 174.990 0.217 0.000 1.412 103 C CA 0.259 59.438 59.018 0.268 0.000 1.729 103 C CB -1.519 26.359 27.740 0.229 0.000 1.739 103 C HN 0.572 nan 8.230 nan 0.000 0.570 104 E N -1.902 118.463 120.200 0.275 0.000 2.476 104 E HA 0.030 4.369 4.350 -0.018 0.000 0.196 104 E C 1.455 178.201 176.600 0.243 0.000 1.029 104 E CA -0.009 56.544 56.400 0.255 0.000 0.896 104 E CB 0.282 30.194 29.700 0.354 0.000 1.012 104 E HN 0.620 nan 8.360 nan 0.000 0.475 105 C N -0.079 119.384 119.300 0.270 0.000 2.937 105 C HA 0.255 4.704 4.460 -0.018 0.000 0.426 105 C C 0.504 175.605 174.990 0.185 0.000 1.321 105 C CA -0.141 59.021 59.018 0.239 0.000 2.082 105 C CB 0.466 28.404 27.740 0.329 0.000 2.834 105 C HN -0.052 nan 8.230 nan 0.000 0.593 106 V N 1.507 121.536 119.914 0.192 0.000 2.715 106 V HA 0.598 4.707 4.120 -0.018 0.000 0.310 106 V C -0.065 176.071 176.094 0.070 0.000 1.054 106 V CA -0.600 61.773 62.300 0.121 0.000 0.928 106 V CB 1.058 32.962 31.823 0.134 0.000 1.007 106 V HN 0.563 nan 8.190 nan 0.000 0.437 107 C N 5.201 124.522 119.300 0.034 0.000 2.848 107 C HA 0.991 5.440 4.460 -0.018 0.000 0.317 107 C C -0.172 174.807 174.990 -0.018 0.000 1.260 107 C CA -0.139 58.895 59.018 0.026 0.000 1.656 107 C CB 1.719 29.501 27.740 0.070 0.000 2.174 107 C HN 1.205 nan 8.230 nan 0.000 0.479 108 M N 0.498 120.098 119.600 0.000 0.000 1.426 108 M HA 0.008 4.477 4.480 -0.018 0.000 0.569 108 M C -0.934 175.418 176.300 0.087 0.000 2.223 108 M CA 0.732 56.049 55.300 0.028 0.000 0.522 108 M CB -1.018 31.540 32.600 -0.069 0.000 4.347 108 M HN 1.106 nan 8.290 nan 0.000 0.469 109 H N 1.209 120.275 119.070 -0.006 0.000 2.885 109 H HA 0.349 4.894 4.556 -0.018 0.000 0.254 109 H C 1.212 176.506 175.328 -0.056 0.000 1.185 109 H CA 0.446 56.483 56.048 -0.017 0.000 1.029 109 H CB -0.121 29.638 29.762 -0.006 0.000 1.743 109 H HN 0.772 nan 8.280 nan 0.000 0.632 110 C N 0.024 119.155 119.300 -0.283 0.000 2.519 110 C HA 0.679 5.128 4.460 -0.018 0.000 0.297 110 C C 1.400 176.289 174.990 -0.169 0.000 1.414 110 C CA 0.553 59.413 59.018 -0.264 0.000 1.893 110 C CB -0.070 27.502 27.740 -0.279 0.000 2.134 110 C HN 0.781 nan 8.230 nan 0.000 0.580 111 G N 1.523 110.252 108.800 -0.119 0.000 2.980 111 G HA2 0.086 4.035 3.960 -0.018 0.000 0.255 111 G HA3 0.086 4.035 3.960 -0.018 0.000 0.255 111 G C -0.801 174.063 174.900 -0.060 0.000 1.020 111 G CA 0.237 45.292 45.100 -0.075 0.000 1.230 111 G HN 0.973 nan 8.290 nan 0.000 0.580 112 K N 0.206 120.580 120.400 -0.044 0.000 2.579 112 K HA 0.586 4.895 4.320 -0.018 0.000 0.284 112 K C 0.472 177.076 176.600 0.006 0.000 0.990 112 K CA -1.118 55.150 56.287 -0.031 0.000 0.880 112 K CB 1.510 33.981 32.500 -0.049 0.000 1.488 112 K HN 0.256 nan 8.250 nan 0.000 0.425 113 L N 3.193 124.429 121.223 0.021 0.000 2.499 113 L HA -0.021 4.308 4.340 -0.018 0.000 0.281 113 L C 1.304 178.198 176.870 0.039 0.000 1.234 113 L CA 0.264 55.133 54.840 0.050 0.000 0.839 113 L CB 0.262 42.355 42.059 0.056 0.000 1.104 113 L HN 0.641 nan 8.230 nan 0.000 0.500 114 L N 2.596 123.849 121.223 0.050 0.000 2.270 114 L HA 0.091 4.420 4.340 -0.018 0.000 0.210 114 L C 0.017 176.908 176.870 0.036 0.000 1.104 114 L CA 0.669 55.531 54.840 0.037 0.000 0.804 114 L CB -0.022 42.061 42.059 0.039 0.000 0.937 114 L HN 0.415 nan 8.230 nan 0.000 0.450 115 L N -0.563 120.689 121.223 0.048 0.000 2.482 115 L HA 0.335 4.664 4.340 -0.018 0.000 0.269 115 L C -1.046 175.868 176.870 0.074 0.000 0.967 115 L CA -0.549 54.325 54.840 0.057 0.000 0.851 115 L CB 2.120 44.205 42.059 0.044 0.000 1.242 115 L HN -0.145 nan 8.230 nan 0.000 0.404 116 D N 0.673 121.142 120.400 0.116 0.000 2.403 116 D HA 0.120 4.749 4.640 -0.018 0.000 0.278 116 D C 0.720 177.040 176.300 0.034 0.000 1.230 116 D CA -0.281 53.782 54.000 0.104 0.000 1.062 116 D CB 0.666 41.589 40.800 0.204 0.000 1.119 116 D HN 0.473 nan 8.370 nan 0.000 0.557 117 E N -0.704 119.436 120.200 -0.100 0.000 2.515 117 E HA -0.110 4.229 4.350 -0.018 0.000 0.201 117 E C 1.170 177.650 176.600 -0.200 0.000 1.071 117 E CA 0.557 56.863 56.400 -0.157 0.000 0.880 117 E CB -0.025 29.558 29.700 -0.194 0.000 0.828 117 E HN 0.352 nan 8.360 nan 0.000 0.540 118 H N -0.029 119.044 119.070 0.006 0.000 2.276 118 H HA 0.004 4.550 4.556 -0.018 0.000 0.307 118 H C 1.121 176.451 175.328 0.003 0.000 1.061 118 H CA 0.643 56.693 56.048 0.003 0.000 1.336 118 H CB -0.428 29.334 29.762 0.000 0.000 1.396 118 H HN 0.122 nan 8.280 nan 0.000 0.503 119 N N 2.325 121.105 118.700 0.133 0.000 2.356 119 N HA -0.109 4.620 4.740 -0.018 0.000 0.252 119 N C 0.947 176.481 175.510 0.040 0.000 1.241 119 N CA 0.209 53.300 53.050 0.067 0.000 0.861 119 N CB 0.757 39.275 38.487 0.051 0.000 1.075 119 N HN 0.262 nan 8.380 nan 0.000 0.461 120 E N 3.309 123.526 120.200 0.029 0.000 2.285 120 E HA -0.077 4.262 4.350 -0.018 0.000 0.194 120 E C 1.554 178.162 176.600 0.015 0.000 0.997 120 E CA 0.339 56.750 56.400 0.019 0.000 0.845 120 E CB 0.099 29.809 29.700 0.016 0.000 0.782 120 E HN 0.625 nan 8.360 nan 0.000 0.491 121 L N -0.076 121.156 121.223 0.014 0.000 2.156 121 L HA -0.064 4.265 4.340 -0.018 0.000 0.208 121 L C 2.234 179.113 176.870 0.015 0.000 1.095 121 L CA 0.599 55.445 54.840 0.011 0.000 0.770 121 L CB -0.110 41.952 42.059 0.005 0.000 0.914 121 L HN 0.080 nan 8.230 nan 0.000 0.439 122 M N -1.195 118.417 119.600 0.020 0.000 2.492 122 M HA -0.079 4.390 4.480 -0.018 0.000 0.262 122 M C 2.079 178.391 176.300 0.021 0.000 1.090 122 M CA 1.283 56.598 55.300 0.025 0.000 1.110 122 M CB -0.169 32.449 32.600 0.031 0.000 1.407 122 M HN -0.010 nan 8.290 nan 0.000 0.470 123 R N -0.891 119.617 120.500 0.014 0.000 2.148 123 R HA -0.083 4.246 4.340 -0.018 0.000 0.223 123 R C 1.911 178.220 176.300 0.015 0.000 1.088 123 R CA 1.066 57.171 56.100 0.009 0.000 0.985 123 R CB -0.120 30.181 30.300 0.003 0.000 0.880 123 R HN 0.503 nan 8.270 nan 0.000 0.451 124 Q N -0.430 119.380 119.800 0.018 0.000 2.245 124 Q HA 0.013 4.342 4.340 -0.018 0.000 0.201 124 Q C 1.896 177.914 176.000 0.029 0.000 0.955 124 Q CA 1.173 56.989 55.803 0.021 0.000 0.870 124 Q CB 0.199 28.949 28.738 0.019 0.000 0.945 124 Q HN 0.305 nan 8.270 nan 0.000 0.461 125 A N 0.690 123.530 122.820 0.033 0.000 1.844 125 A HA -0.041 4.268 4.320 -0.018 0.000 0.212 125 A C 1.729 179.346 177.584 0.055 0.000 1.221 125 A CA 0.649 52.714 52.037 0.046 0.000 0.607 125 A CB -0.557 18.473 19.000 0.049 0.000 0.878 125 A HN 0.274 nan 8.150 nan 0.000 0.451 126 L N -0.143 121.110 121.223 0.051 0.000 2.749 126 L HA 0.003 4.332 4.340 -0.018 0.000 0.245 126 L C 2.007 178.904 176.870 0.045 0.000 1.156 126 L CA 0.548 55.421 54.840 0.054 0.000 0.890 126 L CB -0.077 42.009 42.059 0.044 0.000 1.036 126 L HN 0.477 nan 8.230 nan 0.000 0.441 127 A N -1.081 121.763 122.820 0.041 0.000 2.287 127 A HA 0.274 4.583 4.320 -0.018 0.000 0.214 127 A C 0.809 178.417 177.584 0.039 0.000 1.228 127 A CA -0.311 51.747 52.037 0.035 0.000 0.939 127 A CB 0.245 19.260 19.000 0.026 0.000 0.992 127 A HN 0.194 nan 8.150 nan 0.000 0.502 128 I N 1.073 121.670 120.570 0.045 0.000 2.529 128 I HA 0.135 4.294 4.170 -0.018 0.000 0.284 128 I C 0.551 176.698 176.117 0.050 0.000 1.082 128 I CA -0.277 61.050 61.300 0.046 0.000 1.406 128 I CB 0.752 38.781 38.000 0.048 0.000 1.405 128 I HN 0.161 nan 8.210 nan 0.000 0.548 129 K N 5.008 125.434 120.400 0.044 0.000 2.230 129 K HA 0.087 4.396 4.320 -0.018 0.000 0.253 129 K C -0.815 175.813 176.600 0.047 0.000 1.008 129 K CA -0.045 56.268 56.287 0.043 0.000 0.910 129 K CB 0.387 32.908 32.500 0.036 0.000 0.994 129 K HN 0.710 nan 8.250 nan 0.000 0.495 130 D N 0.063 120.489 120.400 0.044 0.000 10.739 130 D HA -0.119 4.510 4.640 -0.018 0.000 0.334 130 D C -0.077 176.254 176.300 0.052 0.000 3.121 130 D CA 0.644 54.670 54.000 0.042 0.000 2.717 130 D CB -0.451 40.373 40.800 0.039 0.000 1.202 130 D HN 0.484 nan 8.370 nan 0.000 0.937 131 S N 0.884 116.608 115.700 0.039 0.000 2.496 131 S HA -0.024 4.435 4.470 -0.018 0.000 0.224 131 S C 1.611 176.244 174.600 0.055 0.000 0.996 131 S CA 0.598 58.821 58.200 0.039 0.000 0.927 131 S CB 0.269 63.463 63.200 -0.010 0.000 0.774 131 S HN 0.353 nan 8.310 nan 0.000 0.524 132 K N 1.151 121.580 120.400 0.047 0.000 2.076 132 K HA 0.053 4.362 4.320 -0.018 0.000 0.204 132 K C 1.650 178.317 176.600 0.111 0.000 1.051 132 K CA 0.917 57.243 56.287 0.064 0.000 0.949 132 K CB 0.029 32.547 32.500 0.030 0.000 0.726 132 K HN 0.079 nan 8.250 nan 0.000 0.443 133 K N 0.393 120.849 120.400 0.093 0.000 2.323 133 K HA 0.056 4.365 4.320 -0.018 0.000 0.197 133 K C 1.824 178.488 176.600 0.107 0.000 1.043 133 K CA 0.309 56.651 56.287 0.092 0.000 0.997 133 K CB 0.132 32.672 32.500 0.067 0.000 0.807 133 K HN 0.011 nan 8.250 nan 0.000 0.497 134 R N 0.259 120.833 120.500 0.124 0.000 2.070 134 R HA -0.119 4.210 4.340 -0.018 0.000 0.232 134 R C 1.892 178.305 176.300 0.188 0.000 1.138 134 R CA 1.598 57.781 56.100 0.138 0.000 0.936 134 R CB -0.385 29.998 30.300 0.138 0.000 0.839 134 R HN 0.221 nan 8.270 nan 0.000 0.429 135 F N 1.176 121.170 119.950 0.074 0.000 2.216 135 F HA 0.005 4.521 4.527 -0.018 0.000 0.300 135 F C 1.941 177.821 175.800 0.133 0.000 1.085 135 F CA 1.204 59.263 58.000 0.099 0.000 1.326 135 F CB -0.309 38.725 39.000 0.056 0.000 1.027 135 F HN 0.157 nan 8.300 nan 0.000 0.497 136 A N -0.417 122.463 122.820 0.100 0.000 2.172 136 A HA 0.190 4.499 4.320 -0.018 0.000 0.216 136 A C 2.140 179.760 177.584 0.060 0.000 1.154 136 A CA 1.286 53.357 52.037 0.056 0.000 0.701 136 A CB -1.094 17.966 19.000 0.100 0.000 0.789 136 A HN 0.442 nan 8.150 nan 0.000 0.465 137 A N -0.773 122.075 122.820 0.046 0.000 2.108 137 A HA 0.346 4.655 4.320 -0.018 0.000 0.206 137 A C 1.841 179.436 177.584 0.018 0.000 1.212 137 A CA 0.501 52.562 52.037 0.039 0.000 0.843 137 A CB -0.172 18.857 19.000 0.048 0.000 0.902 137 A HN 0.371 nan 8.150 nan 0.000 0.477 138 I N -2.045 118.531 120.570 0.011 0.000 2.193 138 I HA -0.196 3.963 4.170 -0.018 0.000 0.240 138 I C 2.354 178.468 176.117 -0.004 0.000 1.084 138 I CA 1.359 62.669 61.300 0.017 0.000 1.365 138 I CB -0.332 37.713 38.000 0.074 0.000 1.064 138 I HN 0.665 nan 8.210 nan 0.000 0.410 139 W N 2.043 123.167 121.300 -0.293 0.000 2.335 139 W HA -0.239 4.410 4.660 -0.018 0.000 0.311 139 W C 2.479 178.918 176.519 -0.133 0.000 1.213 139 W CA 2.255 59.444 57.345 -0.259 0.000 1.274 139 W CB -0.616 28.575 29.460 -0.450 0.000 1.148 139 W HN -0.020 nan 8.180 nan 0.000 0.498 140 T N 1.155 115.597 114.554 -0.187 0.000 2.929 140 T HA -0.134 4.205 4.350 -0.018 0.000 0.271 140 T C 1.324 175.847 174.700 -0.294 0.000 1.085 140 T CA 1.335 63.220 62.100 -0.358 0.000 1.125 140 T CB -0.315 68.493 68.868 -0.101 0.000 0.874 140 T HN 0.103 nan 8.240 nan 0.000 0.494 141 L N 1.059 122.172 121.223 -0.183 0.000 3.141 141 L HA 0.357 4.686 4.340 -0.018 0.000 0.267 141 L C 0.847 177.653 176.870 -0.106 0.000 1.281 141 L CA -0.336 54.429 54.840 -0.124 0.000 1.037 141 L CB 0.629 42.651 42.059 -0.062 0.000 1.407 141 L HN 0.453 nan 8.230 nan 0.000 0.566 142 C N -3.621 115.587 119.300 -0.154 0.000 3.903 142 C HA 0.094 4.543 4.460 -0.018 0.000 0.320 142 C C 1.787 176.695 174.990 -0.137 0.000 2.651 142 C CA -0.434 58.523 59.018 -0.101 0.000 1.535 142 C CB -0.819 26.902 27.740 -0.030 0.000 3.119 142 C HN 0.557 nan 8.230 nan 0.000 0.398 143 K N 1.312 121.539 120.400 -0.287 0.000 2.167 143 K HA 0.018 4.327 4.320 -0.018 0.000 0.203 143 K C 1.458 177.951 176.600 -0.178 0.000 1.052 143 K CA 2.091 58.189 56.287 -0.314 0.000 0.956 143 K CB -0.632 31.458 32.500 -0.683 0.000 0.735 143 K HN 0.418 nan 8.250 nan 0.000 0.451 144 T N 1.157 115.610 114.554 -0.168 0.000 2.896 144 T HA -0.025 4.314 4.350 -0.018 0.000 0.263 144 T C 0.615 175.281 174.700 -0.057 0.000 1.050 144 T CA 0.696 62.734 62.100 -0.102 0.000 1.140 144 T CB -0.011 68.798 68.868 -0.098 0.000 0.877 144 T HN 0.168 nan 8.240 nan 0.000 0.457 145 K N 1.657 122.025 120.400 -0.053 0.000 2.294 145 K HA 0.249 4.558 4.320 -0.018 0.000 0.288 145 K C 0.491 177.091 176.600 -0.000 0.000 1.072 145 K CA -0.038 56.236 56.287 -0.021 0.000 0.960 145 K CB 0.371 32.860 32.500 -0.017 0.000 1.043 145 K HN 0.348 nan 8.250 nan 0.000 0.455 146 M N 1.670 121.280 119.600 0.016 0.000 2.653 146 M HA -0.002 4.467 4.480 -0.018 0.000 0.259 146 M C 0.537 176.874 176.300 0.062 0.000 1.244 146 M CA -0.060 55.268 55.300 0.047 0.000 1.163 146 M CB 0.382 33.015 32.600 0.055 0.000 1.309 146 M HN 0.209 nan 8.290 nan 0.000 0.509 147 V N -0.204 119.736 119.914 0.043 0.000 2.585 147 V HA 0.131 4.240 4.120 -0.018 0.000 0.296 147 V C 0.162 176.270 176.094 0.024 0.000 1.035 147 V CA -1.751 60.571 62.300 0.036 0.000 1.084 147 V CB 0.400 32.236 31.823 0.021 0.000 0.953 147 V HN 0.449 nan 8.190 nan 0.000 0.483 148 C N 5.234 124.546 119.300 0.020 0.000 2.605 148 C HA 0.358 4.808 4.460 -0.018 0.000 0.404 148 C C 0.498 175.483 174.990 -0.007 0.000 1.284 148 C CA -0.255 58.767 59.018 0.007 0.000 2.199 148 C CB -0.380 27.360 27.740 -0.001 0.000 2.647 148 C HN 1.036 nan 8.230 nan 0.000 0.604 149 E N 3.727 123.920 120.200 -0.012 0.000 2.109 149 E HA 0.184 4.523 4.350 -0.018 0.000 0.278 149 E C 0.650 177.231 176.600 -0.032 0.000 0.954 149 E CA -0.161 56.227 56.400 -0.021 0.000 0.779 149 E CB 1.599 31.286 29.700 -0.021 0.000 1.093 149 E HN 0.786 nan 8.360 nan 0.000 0.401 150 T N 2.061 116.594 114.554 -0.034 0.000 2.698 150 T HA -0.044 4.295 4.350 -0.018 0.000 0.260 150 T C 0.255 174.925 174.700 -0.049 0.000 1.044 150 T CA 0.874 62.950 62.100 -0.039 0.000 1.149 150 T CB 0.136 68.983 68.868 -0.034 0.000 0.864 150 T HN 0.439 nan 8.240 nan 0.000 0.419 151 D N -0.384 119.984 120.400 -0.053 0.000 2.661 151 D HA 0.471 5.100 4.640 -0.018 0.000 0.228 151 D C -1.486 174.767 176.300 -0.077 0.000 1.210 151 D CA -0.438 53.518 54.000 -0.072 0.000 0.826 151 D CB 3.198 43.959 40.800 -0.064 0.000 1.542 151 D HN 0.020 nan 8.370 nan 0.000 0.447 152 V N 1.773 121.617 119.914 -0.116 0.000 2.532 152 V HA 0.395 4.504 4.120 -0.018 0.000 0.295 152 V C -2.195 173.848 176.094 -0.086 0.000 1.041 152 V CA -1.754 60.480 62.300 -0.110 0.000 0.926 152 V CB 1.659 33.377 31.823 -0.174 0.000 0.992 152 V HN 0.396 nan 8.190 nan 0.000 0.457 153 P HA 0.020 nan 4.420 nan 0.000 0.266 153 P C -0.261 177.027 177.300 -0.021 0.000 1.186 153 P CA 0.449 63.533 63.100 -0.027 0.000 0.767 153 P CB 0.262 31.955 31.700 -0.012 0.000 0.820 154 S N 0.845 116.539 115.700 -0.010 0.000 2.558 154 S HA -0.019 4.440 4.470 -0.018 0.000 0.287 154 S C 0.180 174.797 174.600 0.029 0.000 1.321 154 S CA -0.023 58.180 58.200 0.004 0.000 1.048 154 S CB -0.032 63.171 63.200 0.004 0.000 0.844 154 S HN 0.489 nan 8.310 nan 0.000 0.512 162 V N 1.474 121.363 119.914 -0.041 0.000 2.775 162 V HA 0.811 4.920 4.120 -0.018 0.000 0.299 162 V C 0.643 176.692 176.094 -0.075 0.000 1.062 162 V CA 0.311 62.581 62.300 -0.050 0.000 1.063 162 V CB 1.071 32.865 31.823 -0.049 0.000 0.994 162 V HN 0.447 nan 8.190 nan 0.000 0.483 163 S N 3.875 119.535 115.700 -0.066 0.000 2.621 163 S HA 0.939 5.398 4.470 -0.018 0.000 0.302 163 S C -0.444 174.109 174.600 -0.078 0.000 1.093 163 S CA -0.919 57.241 58.200 -0.068 0.000 1.017 163 S CB 2.102 65.277 63.200 -0.042 0.000 1.077 163 S HN 1.342 nan 8.310 nan 0.000 0.517 164 R N -0.392 120.065 120.500 -0.072 0.000 2.747 164 R HA 0.660 4.989 4.340 -0.018 0.000 0.272 164 R C -0.105 176.169 176.300 -0.043 0.000 1.032 164 R CA -0.984 55.086 56.100 -0.051 0.000 0.896 164 R CB 0.291 30.552 30.300 -0.065 0.000 1.253 164 R HN 0.871 nan 8.270 nan 0.000 0.461 165 G N 0.120 108.900 108.800 -0.033 0.000 2.254 165 G HA2 0.377 4.326 3.960 -0.018 0.000 0.253 165 G HA3 0.377 4.326 3.960 -0.018 0.000 0.253 165 G C -0.037 174.833 174.900 -0.050 0.000 1.246 165 G CA 0.211 45.286 45.100 -0.042 0.000 0.946 165 G HN 0.733 nan 8.290 nan 0.000 0.474 166 G N 0.302 109.069 108.800 -0.055 0.000 2.432 166 G HA2 0.565 4.514 3.960 -0.018 0.000 0.331 166 G HA3 0.565 4.514 3.960 -0.018 0.000 0.331 166 G C 0.170 175.023 174.900 -0.078 0.000 1.170 166 G CA -0.072 44.992 45.100 -0.059 0.000 0.943 166 G HN 1.222 nan 8.290 nan 0.000 0.483 167 C N 0.040 119.290 119.300 -0.084 0.000 2.451 167 C HA 0.999 5.448 4.460 -0.018 0.000 0.391 167 C C 1.428 176.381 174.990 -0.062 0.000 1.286 167 C CA 0.196 59.155 59.018 -0.099 0.000 1.935 167 C CB 1.376 29.027 27.740 -0.149 0.000 2.188 167 C HN 0.862 nan 8.230 nan 0.000 0.523 168 G N 0.629 109.397 108.800 -0.052 0.000 2.571 168 G HA2 0.182 4.131 3.960 -0.018 0.000 0.225 168 G HA3 0.182 4.131 3.960 -0.018 0.000 0.225 168 G C 0.311 175.185 174.900 -0.043 0.000 1.731 168 G CA 0.102 45.178 45.100 -0.041 0.000 0.858 168 G HN 1.205 nan 8.290 nan 0.000 0.611 169 N N 1.569 120.238 118.700 -0.051 0.000 1.862 169 N HA -0.113 4.616 4.740 -0.018 0.000 0.319 169 N C -0.083 175.407 175.510 -0.033 0.000 1.216 169 N CA 1.304 54.303 53.050 -0.085 0.000 0.806 169 N CB -0.271 38.169 38.487 -0.078 0.000 1.023 169 N HN 0.450 nan 8.380 nan 0.000 0.495 170 T N -1.726 112.803 114.554 -0.041 0.000 2.952 170 T HA 0.257 4.596 4.350 -0.018 0.000 0.286 170 T C -0.010 174.888 174.700 0.330 0.000 1.024 170 T CA -0.961 61.194 62.100 0.093 0.000 1.029 170 T CB 1.903 70.814 68.868 0.071 0.000 1.094 170 T HN 0.627 nan 8.240 nan 0.000 0.515 171 Q N 1.588 121.566 119.800 0.296 0.000 2.267 171 Q HA 0.392 4.721 4.340 -0.018 0.000 0.255 171 Q C -2.314 173.861 176.000 0.291 0.000 0.923 171 Q CA -2.131 53.854 55.803 0.303 0.000 0.925 171 Q CB 0.949 29.780 28.738 0.155 0.000 1.195 171 Q HN 0.468 nan 8.270 nan 0.000 0.417 172 P HA 0.150 nan 4.420 nan 0.000 0.279 172 P C -1.037 176.187 177.300 -0.127 0.000 1.276 172 P CA -0.465 62.475 63.100 -0.266 0.000 0.801 172 P CB 0.673 31.769 31.700 -1.007 0.000 1.127 173 T N 1.282 115.762 114.554 -0.123 0.000 2.855 173 T HA 0.344 4.683 4.350 -0.018 0.000 0.290 173 T C 0.572 175.230 174.700 -0.071 0.000 0.941 173 T CA -0.121 61.945 62.100 -0.057 0.000 1.030 173 T CB -1.003 67.846 68.868 -0.032 0.000 0.935 173 T HN 0.166 nan 8.240 nan 0.000 0.564 174 I N 3.193 123.744 120.570 -0.032 0.000 2.428 174 I HA 0.466 4.625 4.170 -0.018 0.000 0.289 174 I C 0.706 176.830 176.117 0.011 0.000 1.019 174 I CA -0.592 60.695 61.300 -0.021 0.000 1.351 174 I CB 0.815 38.824 38.000 0.014 0.000 1.412 174 I HN 0.327 nan 8.210 nan 0.000 0.513 175 R N 4.504 125.001 120.500 -0.005 0.000 2.744 175 R HA 0.354 4.683 4.340 -0.018 0.000 0.279 175 R C -0.830 175.467 176.300 -0.006 0.000 0.977 175 R CA -0.961 55.142 56.100 0.005 0.000 0.906 175 R CB 2.022 32.320 30.300 -0.004 0.000 1.197 175 R HN 0.536 nan 8.270 nan 0.000 0.463 176 K N 2.287 122.686 120.400 -0.001 0.000 2.339 176 K HA 0.058 4.367 4.320 -0.018 0.000 0.286 176 K C -1.334 175.250 176.600 -0.027 0.000 1.050 176 K CA 0.120 56.394 56.287 -0.022 0.000 0.956 176 K CB 0.663 33.154 32.500 -0.016 0.000 0.990 176 K HN 0.431 nan 8.250 nan 0.000 0.475 177 D N 3.028 123.402 120.400 -0.043 0.000 2.763 177 D HA 0.327 4.956 4.640 -0.018 0.000 0.235 177 D C 0.516 176.790 176.300 -0.043 0.000 1.334 177 D CA 0.768 54.748 54.000 -0.034 0.000 0.950 177 D CB 1.372 42.156 40.800 -0.027 0.000 1.433 177 D HN 0.725 nan 8.370 nan 0.000 0.580 178 G N 3.102 111.887 108.800 -0.026 0.000 3.099 178 G HA2 -0.334 3.615 3.960 -0.018 0.000 0.331 178 G HA3 -0.334 3.615 3.960 -0.018 0.000 0.331 178 G C 0.742 175.622 174.900 -0.034 0.000 1.216 178 G CA 1.004 46.098 45.100 -0.011 0.000 0.977 178 G HN 0.573 nan 8.290 nan 0.000 0.600 179 L N -0.743 120.436 121.223 -0.073 0.000 2.966 179 L HA 0.385 4.715 4.340 -0.018 0.000 0.262 179 L C 0.948 177.588 176.870 -0.384 0.000 1.068 179 L CA -0.107 54.633 54.840 -0.166 0.000 1.004 179 L CB 0.340 42.363 42.059 -0.061 0.000 1.629 179 L HN 0.195 nan 8.230 nan 0.000 0.542 180 K N 1.177 121.436 120.400 -0.236 0.000 2.138 180 K HA 0.508 4.817 4.320 -0.018 0.000 0.251 180 K C -0.784 175.704 176.600 -0.187 0.000 1.015 180 K CA 0.253 56.404 56.287 -0.227 0.000 0.917 180 K CB 0.647 33.138 32.500 -0.015 0.000 1.021 180 K HN -0.067 nan 8.250 nan 0.000 0.485 181 L N 1.761 122.918 121.223 -0.110 0.000 2.325 181 L HA 0.461 4.790 4.340 -0.018 0.000 0.281 181 L C -1.018 175.844 176.870 -0.014 0.000 1.004 181 L CA -1.074 53.735 54.840 -0.050 0.000 0.823 181 L CB 1.698 43.750 42.059 -0.011 0.000 1.236 181 L HN 0.225 nan 8.230 nan 0.000 0.415 182 V N 1.396 121.288 119.914 -0.036 0.000 2.667 182 V HA 0.823 4.932 4.120 -0.018 0.000 0.308 182 V C 0.433 176.463 176.094 -0.107 0.000 1.048 182 V CA -0.549 61.717 62.300 -0.058 0.000 0.928 182 V CB 1.746 33.542 31.823 -0.045 0.000 1.004 182 V HN 0.835 nan 8.190 nan 0.000 0.444 183 G N 0.935 109.618 108.800 -0.194 0.000 2.482 183 G HA2 0.583 4.532 3.960 -0.018 0.000 0.317 183 G HA3 0.583 4.532 3.960 -0.018 0.000 0.317 183 G C -1.116 173.557 174.900 -0.378 0.000 1.241 183 G CA -0.493 44.409 45.100 -0.329 0.000 0.967 183 G HN 0.634 nan 8.290 nan 0.000 0.482 184 S N 0.264 115.758 115.700 -0.343 0.000 2.478 184 S HA 0.687 5.146 4.470 -0.018 0.000 0.312 184 S C -0.898 173.594 174.600 -0.181 0.000 1.094 184 S CA -0.676 57.405 58.200 -0.198 0.000 1.081 184 S CB 0.644 63.798 63.200 -0.077 0.000 1.007 184 S HN 0.464 nan 8.310 nan 0.000 0.475 200 R N 0.739 121.268 120.500 0.049 0.000 2.474 200 R HA 0.160 4.489 4.340 -0.018 0.000 0.290 200 R C -1.322 174.962 176.300 -0.026 0.000 0.918 200 R CA 0.381 56.507 56.100 0.044 0.000 1.130 200 R CB 0.035 30.399 30.300 0.107 0.000 0.881 200 R HN 0.289 nan 8.270 nan 0.000 0.416 201 V N 7.421 127.352 119.914 0.029 0.000 2.370 201 V HA 0.216 4.325 4.120 -0.018 0.000 0.279 201 V C -0.014 176.117 176.094 0.061 0.000 1.029 201 V CA -0.834 61.485 62.300 0.032 0.000 0.870 201 V CB 1.256 33.114 31.823 0.057 0.000 0.984 201 V HN 0.578 nan 8.190 nan 0.000 0.451 202 L N 4.656 125.914 121.223 0.057 0.000 2.565 202 L HA 0.136 4.465 4.340 -0.018 0.000 0.275 202 L C 0.978 177.955 176.870 0.179 0.000 1.137 202 L CA 1.111 56.013 54.840 0.103 0.000 0.915 202 L CB 0.623 42.741 42.059 0.099 0.000 1.232 202 L HN 0.740 nan 8.230 nan 0.000 0.473 203 S N 1.555 117.342 115.700 0.144 0.000 2.576 203 S HA 0.021 4.480 4.470 -0.018 0.000 0.276 203 S C 1.563 176.230 174.600 0.112 0.000 1.339 203 S CA 0.182 58.467 58.200 0.142 0.000 1.039 203 S CB 1.045 64.302 63.200 0.094 0.000 0.902 203 S HN 0.831 nan 8.310 nan 0.000 0.516 204 T N 2.484 117.077 114.554 0.065 0.000 2.635 204 T HA -0.195 4.144 4.350 -0.018 0.000 0.267 204 T C 1.517 176.125 174.700 -0.153 0.000 1.040 204 T CA 2.264 64.224 62.100 -0.234 0.000 1.156 204 T CB -0.573 68.140 68.868 -0.259 0.000 0.863 204 T HN 0.809 nan 8.240 nan 0.000 0.430 205 E N -0.446 119.724 120.200 -0.050 0.000 2.274 205 E HA -0.079 4.260 4.350 -0.018 0.000 0.194 205 E C 2.349 178.949 176.600 -0.000 0.000 0.996 205 E CA 0.539 56.926 56.400 -0.022 0.000 0.840 205 E CB 0.032 29.732 29.700 0.001 0.000 0.772 205 E HN 0.545 nan 8.360 nan 0.000 0.491 206 E N 0.366 120.575 120.200 0.015 0.000 2.051 206 E HA -0.178 4.161 4.350 -0.018 0.000 0.192 206 E C 2.087 178.692 176.600 0.009 0.000 0.991 206 E CA 0.902 57.319 56.400 0.028 0.000 0.799 206 E CB -0.024 29.708 29.700 0.053 0.000 0.748 206 E HN 0.400 nan 8.360 nan 0.000 0.449 207 I N 1.220 121.792 120.570 0.003 0.000 2.439 207 I HA -0.219 3.940 4.170 -0.018 0.000 0.251 207 I C 2.603 178.736 176.117 0.026 0.000 1.139 207 I CA 0.276 61.566 61.300 -0.017 0.000 1.438 207 I CB -0.133 37.913 38.000 0.078 0.000 1.085 207 I HN 0.129 nan 8.210 nan 0.000 0.427 208 L N 1.061 122.310 121.223 0.043 0.000 1.997 208 L HA -0.325 4.004 4.340 -0.018 0.000 0.216 208 L C 2.327 179.227 176.870 0.051 0.000 1.074 208 L CA 2.233 57.115 54.840 0.071 0.000 0.763 208 L CB -0.455 41.620 42.059 0.027 0.000 0.890 208 L HN 0.347 nan 8.230 nan 0.000 0.434 209 N N 0.121 118.831 118.700 0.017 0.000 2.166 209 N HA -0.199 4.530 4.740 -0.018 0.000 0.186 209 N C 1.635 177.172 175.510 0.045 0.000 1.019 209 N CA 1.517 54.578 53.050 0.019 0.000 0.856 209 N CB -0.140 38.376 38.487 0.049 0.000 0.993 209 N HN 0.344 nan 8.380 nan 0.000 0.426 210 I N -0.562 119.979 120.570 -0.049 0.000 2.493 210 I HA -0.147 4.012 4.170 -0.018 0.000 0.254 210 I C 0.985 176.958 176.117 -0.241 0.000 1.160 210 I CA 0.940 62.135 61.300 -0.174 0.000 1.445 210 I CB -1.121 36.661 38.000 -0.363 0.000 1.086 210 I HN 0.069 nan 8.210 nan 0.000 0.433 211 F N 0.831 120.797 119.950 0.028 0.000 2.622 211 F HA 0.176 4.692 4.527 -0.018 0.000 0.288 211 F C 2.328 178.101 175.800 -0.046 0.000 1.120 211 F CA 0.086 58.080 58.000 -0.010 0.000 1.423 211 F CB -0.498 38.474 39.000 -0.047 0.000 1.127 211 F HN -0.070 nan 8.300 nan 0.000 0.588 212 K N -0.318 120.124 120.400 0.070 0.000 2.281 212 K HA -0.154 4.155 4.320 -0.018 0.000 0.203 212 K C 1.453 177.944 176.600 -0.182 0.000 1.046 212 K CA 1.117 57.352 56.287 -0.086 0.000 0.938 212 K CB 0.006 32.408 32.500 -0.164 0.000 0.737 212 K HN 0.314 nan 8.250 nan 0.000 0.458 213 H N 0.067 119.155 119.070 0.029 0.000 3.109 213 H HA 0.103 4.648 4.556 -0.018 0.000 0.299 213 H C 0.708 176.009 175.328 -0.045 0.000 1.335 213 H CA 0.483 56.523 56.048 -0.012 0.000 1.890 213 H CB -0.031 29.713 29.762 -0.029 0.000 1.595 213 H HN -0.088 nan 8.280 nan 0.000 0.756 214 I N 1.281 121.894 120.570 0.072 0.000 8.714 214 I HA -0.235 3.924 4.170 -0.018 0.000 0.126 214 I C 0.777 176.676 176.117 -0.363 0.000 1.854 214 I CA 0.029 61.250 61.300 -0.131 0.000 2.050 214 I CB -1.267 36.674 38.000 -0.099 0.000 3.870 214 I HN 0.514 nan 8.210 nan 0.000 0.173 215 S N 4.810 120.319 115.700 -0.318 0.000 2.554 215 S HA 0.144 4.603 4.470 -0.018 0.000 0.290 215 S C 1.265 175.526 174.600 -0.565 0.000 1.309 215 S CA 0.180 58.189 58.200 -0.320 0.000 1.047 215 S CB 1.012 64.092 63.200 -0.199 0.000 0.828 215 S HN 0.398 nan 8.310 nan 0.000 0.509 216 V N 4.894 124.604 119.914 -0.340 0.000 2.970 216 V HA 0.014 4.123 4.120 -0.018 0.000 0.260 216 V C 2.217 178.225 176.094 -0.142 0.000 1.100 216 V CA 1.688 63.845 62.300 -0.239 0.000 1.122 216 V CB -0.766 31.025 31.823 -0.054 0.000 0.721 216 V HN 0.881 nan 8.190 nan 0.000 0.483 217 K N -0.494 119.819 120.400 -0.145 0.000 2.358 217 K HA 0.040 4.349 4.320 -0.018 0.000 0.197 217 K C 0.760 177.320 176.600 -0.067 0.000 1.025 217 K CA 0.127 56.376 56.287 -0.063 0.000 1.104 217 K CB 0.280 32.757 32.500 -0.038 0.000 0.855 217 K HN 0.329 nan 8.250 nan 0.000 0.531 218 D N -0.319 119.971 120.400 -0.184 0.000 2.349 218 D HA 0.052 4.681 4.640 -0.018 0.000 0.214 218 D C 0.894 177.140 176.300 -0.089 0.000 1.063 218 D CA 0.191 54.113 54.000 -0.130 0.000 0.847 218 D CB 0.212 40.920 40.800 -0.153 0.000 0.933 218 D HN 0.147 nan 8.370 nan 0.000 0.513 219 F N 0.913 120.856 119.950 -0.012 0.000 2.059 219 F HA -0.141 4.375 4.527 -0.018 0.000 0.289 219 F C 2.503 178.362 175.800 0.098 0.000 1.128 219 F CA 0.696 58.685 58.000 -0.018 0.000 1.181 219 F CB -0.730 38.219 39.000 -0.085 0.000 1.012 219 F HN -0.135 nan 8.300 nan 0.000 0.473 220 T N 0.645 115.371 114.554 0.286 0.000 2.481 220 T HA -0.417 3.923 4.350 -0.018 0.000 0.229 220 T C 2.002 176.813 174.700 0.184 0.000 1.382 220 T CA 2.777 64.990 62.100 0.187 0.000 1.082 220 T CB -1.271 67.666 68.868 0.116 0.000 0.821 220 T HN 0.480 nan 8.240 nan 0.000 0.457 221 S N 2.781 118.581 115.700 0.167 0.000 2.393 221 S HA -0.186 4.273 4.470 -0.018 0.000 0.235 221 S C 0.842 175.588 174.600 0.243 0.000 1.061 221 S CA 1.568 59.875 58.200 0.177 0.000 1.129 221 S CB -1.252 62.046 63.200 0.163 0.000 1.011 221 S HN 0.582 nan 8.310 nan 0.000 0.436 222 L N 1.119 122.532 121.223 0.316 0.000 2.289 222 L HA 0.758 5.087 4.340 -0.018 0.000 0.285 222 L C 0.807 177.817 176.870 0.233 0.000 1.049 222 L CA -0.396 54.656 54.840 0.353 0.000 0.804 222 L CB -0.036 42.297 42.059 0.457 0.000 1.195 222 L HN 0.169 nan 8.230 nan 0.000 0.428 223 G N 2.503 111.274 108.800 -0.048 0.000 2.452 223 G HA2 0.170 4.119 3.960 -0.018 0.000 0.290 223 G HA3 0.170 4.119 3.960 -0.018 0.000 0.290 223 G C -0.461 174.169 174.900 -0.450 0.000 0.717 223 G CA 0.375 45.361 45.100 -0.190 0.000 1.967 223 G HN 0.441 nan 8.290 nan 0.000 0.471 224 F N 0.036 119.955 119.950 -0.051 0.000 2.894 224 F HA 0.576 5.092 4.527 -0.018 0.000 0.332 224 F C 0.110 175.883 175.800 -0.046 0.000 1.192 224 F CA -1.144 56.797 58.000 -0.097 0.000 0.980 224 F CB 2.202 41.092 39.000 -0.184 0.000 1.448 224 F HN 0.315 nan 8.300 nan 0.000 0.514 225 N N -0.312 118.483 118.700 0.158 0.000 2.324 225 N HA 0.154 4.883 4.740 -0.018 0.000 0.285 225 N C 0.067 175.533 175.510 -0.074 0.000 1.076 225 N CA -0.379 52.720 53.050 0.083 0.000 0.864 225 N CB 1.929 40.527 38.487 0.184 0.000 1.632 225 N HN 0.685 nan 8.380 nan 0.000 0.478 226 E N 1.279 121.442 120.200 -0.061 0.000 2.086 226 E HA -0.192 4.147 4.350 -0.018 0.000 0.200 226 E C 0.668 177.158 176.600 -0.184 0.000 1.012 226 E CA 1.762 58.100 56.400 -0.103 0.000 0.812 226 E CB 0.226 29.913 29.700 -0.021 0.000 0.743 226 E HN 0.440 nan 8.360 nan 0.000 0.453 227 V N -0.600 119.177 119.914 -0.230 0.000 3.085 227 V HA -0.020 4.089 4.120 -0.018 0.000 0.245 227 V C 1.606 177.656 176.094 -0.074 0.000 1.114 227 V CA 0.716 62.872 62.300 -0.240 0.000 1.108 227 V CB -0.185 31.353 31.823 -0.474 0.000 0.798 227 V HN 0.240 nan 8.190 nan 0.000 0.471 228 F N -0.314 119.695 119.950 0.098 0.000 2.274 228 F HA 0.211 4.727 4.527 -0.018 0.000 0.288 228 F C 1.409 177.317 175.800 0.181 0.000 1.069 228 F CA 0.876 58.938 58.000 0.104 0.000 1.343 228 F CB 0.314 39.333 39.000 0.032 0.000 1.089 228 F HN 0.084 nan 8.300 nan 0.000 0.517 229 S N 0.641 116.508 115.700 0.279 0.000 2.774 229 S HA 0.495 4.954 4.470 -0.018 0.000 0.297 229 S C -0.871 173.678 174.600 -0.086 0.000 1.143 229 S CA -0.593 57.726 58.200 0.199 0.000 1.090 229 S CB 0.523 63.839 63.200 0.193 0.000 1.019 229 S HN 0.098 nan 8.310 nan 0.000 0.482 230 R N 4.226 124.489 120.500 -0.395 0.000 2.534 230 R HA 0.381 4.710 4.340 -0.018 0.000 0.301 230 R C -2.112 173.691 176.300 -0.829 0.000 0.961 230 R CA -2.298 53.162 56.100 -1.068 0.000 0.871 230 R CB 1.620 30.865 30.300 -1.759 0.000 1.170 230 R HN 0.329 nan 8.270 nan 0.000 0.446 231 P HA -0.249 nan 4.420 nan 0.000 0.218 231 P C 0.713 177.613 177.300 -0.667 0.000 1.146 231 P CA 1.292 63.820 63.100 -0.954 0.000 0.813 231 P CB 0.224 31.124 31.700 -1.333 0.000 0.778 232 E N -1.494 118.405 120.200 -0.502 0.000 2.153 232 E HA -0.193 4.146 4.350 -0.018 0.000 0.194 232 E C 1.313 177.880 176.600 -0.055 0.000 0.988 232 E CA 1.003 57.279 56.400 -0.207 0.000 0.811 232 E CB -1.016 28.546 29.700 -0.230 0.000 0.746 232 E HN 0.288 nan 8.360 nan 0.000 0.466 233 W N 0.866 122.068 121.300 -0.163 0.000 2.576 233 W HA 0.246 4.896 4.660 -0.018 0.000 0.270 233 W C 2.101 178.530 176.519 -0.150 0.000 1.255 233 W CA -0.268 57.007 57.345 -0.116 0.000 1.314 233 W CB -0.698 28.700 29.460 -0.103 0.000 1.101 233 W HN 0.121 nan 8.180 nan 0.000 0.595 234 M N 0.104 119.648 119.600 -0.093 0.000 2.426 234 M HA -0.162 4.308 4.480 -0.018 0.000 0.261 234 M C -0.335 175.907 176.300 -0.097 0.000 1.068 234 M CA 1.335 56.451 55.300 -0.307 0.000 1.066 234 M CB -0.160 32.160 32.600 -0.467 0.000 1.399 234 M HN -0.316 nan 8.290 nan 0.000 0.449 235 I N 0.386 120.963 120.570 0.011 0.000 2.404 235 I HA 0.206 4.365 4.170 -0.018 0.000 0.293 235 I C -0.596 175.579 176.117 0.095 0.000 0.992 235 I CA -0.383 60.951 61.300 0.057 0.000 1.149 235 I CB 1.733 39.711 38.000 -0.037 0.000 1.315 235 I HN -0.011 nan 8.210 nan 0.000 0.446 236 L N 6.395 127.693 121.223 0.124 0.000 2.454 236 L HA 0.173 4.502 4.340 -0.018 0.000 0.284 236 L C 1.281 178.197 176.870 0.077 0.000 1.139 236 L CA -0.120 54.799 54.840 0.131 0.000 0.911 236 L CB -0.217 41.941 42.059 0.164 0.000 1.262 236 L HN 0.810 nan 8.230 nan 0.000 0.453 237 T N -1.738 112.861 114.554 0.075 0.000 2.852 237 T HA -0.052 4.287 4.350 -0.018 0.000 0.256 237 T C 0.702 175.432 174.700 0.049 0.000 1.038 237 T CA 0.147 62.280 62.100 0.055 0.000 1.141 237 T CB 0.093 68.999 68.868 0.063 0.000 0.869 237 T HN 0.504 nan 8.240 nan 0.000 0.439 238 C N 1.938 121.268 119.300 0.049 0.000 2.381 238 C HA 0.769 5.218 4.460 -0.018 0.000 0.328 238 C C -0.645 174.368 174.990 0.039 0.000 1.190 238 C CA -1.546 57.499 59.018 0.045 0.000 1.369 238 C CB -0.091 27.667 27.740 0.029 0.000 2.029 238 C HN 0.650 nan 8.230 nan 0.000 0.448 239 L N 9.388 130.634 121.223 0.039 0.000 2.289 239 L HA 0.728 5.057 4.340 -0.018 0.000 0.285 239 L C -2.206 174.671 176.870 0.012 0.000 1.049 239 L CA -1.215 53.644 54.840 0.032 0.000 0.804 239 L CB 1.248 43.323 42.059 0.028 0.000 1.195 239 L HN 0.458 nan 8.230 nan 0.000 0.428 240 P HA 0.223 nan 4.420 nan 0.000 0.281 240 P C -1.257 176.125 177.300 0.137 0.000 1.249 240 P CA -0.370 62.753 63.100 0.038 0.000 0.810 240 P CB 1.444 33.043 31.700 -0.168 0.000 1.008 241 V N -0.337 119.674 119.914 0.162 0.000 2.347 241 V HA 0.417 4.526 4.120 -0.018 0.000 0.280 241 V C -2.378 173.674 176.094 -0.070 0.000 1.021 241 V CA -2.909 59.414 62.300 0.038 0.000 0.847 241 V CB 0.839 32.634 31.823 -0.047 0.000 0.990 241 V HN 0.404 nan 8.190 nan 0.000 0.444 242 P HA 0.265 nan 4.420 nan 0.000 0.267 242 P C -2.395 174.699 177.300 -0.343 0.000 1.209 242 P CA -0.891 62.003 63.100 -0.343 0.000 0.763 242 P CB 0.317 32.009 31.700 -0.012 0.000 0.816 243 P HA 0.084 nan 4.420 nan 0.000 0.271 243 P C -1.841 175.353 177.300 -0.177 0.000 1.244 243 P CA -1.328 61.593 63.100 -0.298 0.000 0.793 243 P CB -0.652 30.838 31.700 -0.349 0.000 0.984 244 P HA -0.188 nan 4.420 nan 0.000 0.221 244 P C -1.203 176.058 177.300 -0.065 0.000 1.160 244 P CA 2.878 65.933 63.100 -0.076 0.000 0.933 244 P CB -2.165 29.498 31.700 -0.062 0.000 0.793 245 P HA -0.060 nan 4.420 nan 0.000 0.228 245 P C 1.171 178.447 177.300 -0.040 0.000 1.151 245 P CA 0.870 63.936 63.100 -0.055 0.000 0.770 245 P CB -0.411 31.249 31.700 -0.066 0.000 0.786 246 V N -0.444 119.441 119.914 -0.049 0.000 3.235 246 V HA -0.009 4.100 4.120 -0.018 0.000 0.259 246 V C 1.014 177.109 176.094 0.001 0.000 1.133 246 V CA 0.921 63.209 62.300 -0.019 0.000 1.128 246 V CB -0.960 30.850 31.823 -0.020 0.000 0.757 246 V HN 0.282 nan 8.190 nan 0.000 0.469 247 R N -1.051 119.446 120.500 -0.005 0.000 3.107 247 R HA 0.349 4.678 4.340 -0.018 0.000 0.224 247 R C -3.257 173.048 176.300 0.009 0.000 1.734 247 R CA -1.058 55.051 56.100 0.015 0.000 1.303 247 R CB 0.139 30.459 30.300 0.034 0.000 1.570 247 R HN 0.126 nan 8.270 nan 0.000 0.606 248 P HA 0.247 nan 4.420 nan 0.000 0.341 248 P C 0.056 177.368 177.300 0.019 0.000 1.407 248 P CA 0.078 63.181 63.100 0.005 0.000 0.837 248 P CB 0.486 32.188 31.700 0.004 0.000 2.024 249 S N -2.504 113.208 115.700 0.020 0.000 3.972 249 S HA 0.344 4.803 4.470 -0.018 0.000 0.190 249 S C -0.420 174.201 174.600 0.035 0.000 1.204 249 S CA -0.354 57.862 58.200 0.028 0.000 1.285 249 S CB -0.326 62.881 63.200 0.012 0.000 1.849 249 S HN 0.236 nan 8.310 nan 0.000 0.762 250 I N 1.744 122.327 120.570 0.022 0.000 7.703 250 I HA -0.125 4.034 4.170 -0.018 0.000 0.126 250 I C 0.080 176.223 176.117 0.044 0.000 1.619 250 I CA 0.364 61.678 61.300 0.024 0.000 2.323 250 I CB -1.686 36.331 38.000 0.028 0.000 3.283 250 I HN 0.740 nan 8.210 nan 0.000 0.248 251 S N 4.782 120.486 115.700 0.006 0.000 2.759 251 S HA 0.769 5.228 4.470 -0.018 0.000 0.310 251 S C 0.748 175.351 174.600 0.004 0.000 1.123 251 S CA -0.495 57.691 58.200 -0.024 0.000 0.959 251 S CB 1.306 64.371 63.200 -0.224 0.000 1.172 251 S HN 0.427 nan 8.310 nan 0.000 0.539 252 F N 0.531 120.485 119.950 0.007 0.000 2.743 252 F HA 0.381 4.896 4.527 -0.019 0.000 0.297 252 F C 1.408 177.210 175.800 0.003 0.000 1.131 252 F CA -0.162 57.840 58.000 0.004 0.000 1.426 252 F CB -0.321 38.680 39.000 0.003 0.000 1.116 252 F HN 0.272 nan 8.300 nan 0.000 0.583 253 N N 0.457 118.992 118.700 -0.274 0.000 2.358 253 N HA 0.015 4.744 4.740 -0.018 0.000 0.209 253 N C -0.442 175.017 175.510 -0.086 0.000 1.033 253 N CA 0.848 53.800 53.050 -0.163 0.000 1.021 253 N CB -0.230 38.108 38.487 -0.247 0.000 1.244 253 N HN 0.068 nan 8.380 nan 0.000 0.523 254 E N -0.703 119.434 120.200 -0.106 0.000 7.527 254 E HA -0.088 4.251 4.350 -0.018 0.000 0.353 254 E C -0.810 175.757 176.600 -0.054 0.000 0.656 254 E CA 0.097 56.459 56.400 -0.063 0.000 1.244 254 E CB -0.961 28.719 29.700 -0.034 0.000 0.931 254 E HN 0.208 nan 8.360 nan 0.000 0.262 255 S N 3.408 119.078 115.700 -0.050 0.000 2.593 255 S HA -0.021 4.438 4.470 -0.018 0.000 0.217 255 S C 0.295 174.857 174.600 -0.063 0.000 0.966 255 S CA 0.443 58.614 58.200 -0.049 0.000 0.914 255 S CB -0.081 63.097 63.200 -0.036 0.000 0.776 255 S HN 0.480 nan 8.310 nan 0.000 0.523 256 Q N 1.797 121.547 119.800 -0.084 0.000 2.257 256 Q HA 0.423 4.752 4.340 -0.018 0.000 0.255 256 Q C 0.230 176.134 176.000 -0.160 0.000 0.920 256 Q CA -0.570 55.174 55.803 -0.099 0.000 0.927 256 Q CB 1.057 29.741 28.738 -0.089 0.000 1.229 256 Q HN 0.431 nan 8.270 nan 0.000 0.433 257 R N 1.284 121.702 120.500 -0.137 0.000 3.001 257 R HA 0.290 4.619 4.340 -0.018 0.000 0.160 257 R C 0.719 176.991 176.300 -0.047 0.000 0.830 257 R CA 0.258 56.313 56.100 -0.074 0.000 1.363 257 R CB 0.016 30.285 30.300 -0.052 0.000 1.669 257 R HN 0.551 nan 8.270 nan 0.000 0.553 258 G N 0.569 109.350 108.800 -0.033 0.000 2.849 258 G HA2 0.589 4.538 3.960 -0.018 0.000 0.174 258 G HA3 0.589 4.538 3.960 -0.018 0.000 0.174 258 G C -0.774 174.155 174.900 0.049 0.000 1.370 258 G CA -0.246 44.870 45.100 0.027 0.000 1.040 258 G HN 0.150 nan 8.290 nan 0.000 0.582 259 E N -2.154 118.106 120.200 0.101 0.000 2.315 259 E HA 0.256 4.595 4.350 -0.018 0.000 0.256 259 E C -1.580 175.101 176.600 0.135 0.000 1.148 259 E CA -0.723 55.735 56.400 0.097 0.000 0.898 259 E CB 1.405 31.149 29.700 0.073 0.000 1.708 259 E HN 0.345 nan 8.360 nan 0.000 0.473 260 D N -0.112 120.361 120.400 0.123 0.000 2.432 260 D HA 0.148 4.777 4.640 -0.018 0.000 0.258 260 D C 0.240 176.646 176.300 0.177 0.000 1.146 260 D CA -0.143 53.928 54.000 0.118 0.000 1.015 260 D CB 0.665 41.512 40.800 0.078 0.000 1.107 260 D HN 0.257 nan 8.370 nan 0.000 0.529 261 D N -0.318 120.155 120.400 0.122 0.000 2.137 261 D HA -0.020 4.609 4.640 -0.018 0.000 0.202 261 D C 2.123 178.521 176.300 0.163 0.000 0.970 261 D CA 0.586 54.656 54.000 0.115 0.000 0.837 261 D CB 0.169 40.996 40.800 0.045 0.000 0.981 261 D HN 0.251 nan 8.370 nan 0.000 0.475 262 L N 0.862 122.168 121.223 0.139 0.000 2.046 262 L HA -0.149 4.180 4.340 -0.018 0.000 0.208 262 L C 2.487 179.450 176.870 0.155 0.000 1.077 262 L CA 1.087 56.025 54.840 0.164 0.000 0.747 262 L CB -0.735 41.420 42.059 0.161 0.000 0.896 262 L HN 0.014 nan 8.230 nan 0.000 0.432 263 T N -0.245 114.383 114.554 0.123 0.000 2.721 263 T HA -0.262 4.077 4.350 -0.018 0.000 0.268 263 T C 1.588 176.302 174.700 0.024 0.000 1.038 263 T CA 1.620 63.750 62.100 0.050 0.000 1.145 263 T CB -0.489 68.395 68.868 0.027 0.000 0.858 263 T HN 0.150 nan 8.240 nan 0.000 0.459 264 F N 1.076 121.025 119.950 -0.001 0.000 2.365 264 F HA 0.058 4.574 4.527 -0.018 0.000 0.300 264 F C 2.426 178.208 175.800 -0.031 0.000 1.090 264 F CA 0.935 58.927 58.000 -0.013 0.000 1.408 264 F CB -0.076 38.922 39.000 -0.003 0.000 1.060 264 F HN 0.046 nan 8.300 nan 0.000 0.534 265 K N -0.500 119.984 120.400 0.141 0.000 2.211 265 K HA 0.000 4.309 4.320 -0.018 0.000 0.201 265 K C 1.985 178.559 176.600 -0.043 0.000 1.052 265 K CA 0.233 56.553 56.287 0.055 0.000 0.973 265 K CB 0.048 32.624 32.500 0.126 0.000 0.766 265 K HN 0.140 nan 8.250 nan 0.000 0.466 266 L N 0.785 121.962 121.223 -0.077 0.000 2.046 266 L HA -0.129 4.200 4.340 -0.018 0.000 0.208 266 L C 2.399 179.194 176.870 -0.125 0.000 1.077 266 L CA 1.683 56.429 54.840 -0.156 0.000 0.747 266 L CB -1.160 40.805 42.059 -0.157 0.000 0.896 266 L HN 0.148 nan 8.230 nan 0.000 0.432 267 A N -0.812 121.936 122.820 -0.121 0.000 2.019 267 A HA -0.236 4.073 4.320 -0.018 0.000 0.219 267 A C 2.134 179.657 177.584 -0.102 0.000 1.164 267 A CA 1.658 53.616 52.037 -0.132 0.000 0.644 267 A CB -0.472 18.402 19.000 -0.210 0.000 0.805 267 A HN 0.481 nan 8.150 nan 0.000 0.449 268 D N -0.509 119.834 120.400 -0.096 0.000 2.194 268 D HA -0.096 4.533 4.640 -0.018 0.000 0.204 268 D C 1.686 177.952 176.300 -0.058 0.000 0.964 268 D CA 0.917 54.856 54.000 -0.101 0.000 0.846 268 D CB -0.002 40.677 40.800 -0.203 0.000 0.962 268 D HN 0.305 nan 8.370 nan 0.000 0.490 269 I N 1.059 121.597 120.570 -0.054 0.000 2.315 269 I HA -0.139 4.020 4.170 -0.018 0.000 0.248 269 I C 2.404 178.510 176.117 -0.018 0.000 1.117 269 I CA 0.624 61.916 61.300 -0.013 0.000 1.404 269 I CB -0.275 37.688 38.000 -0.061 0.000 1.071 269 I HN 0.049 nan 8.210 nan 0.000 0.419 270 L N -0.249 120.944 121.223 -0.049 0.000 2.201 270 L HA -0.188 4.141 4.340 -0.018 0.000 0.212 270 L C 2.286 179.141 176.870 -0.026 0.000 1.105 270 L CA 1.184 55.993 54.840 -0.052 0.000 0.775 270 L CB -0.284 41.732 42.059 -0.071 0.000 0.913 270 L HN 0.176 nan 8.230 nan 0.000 0.440 271 K N -0.698 119.696 120.400 -0.011 0.000 2.365 271 K HA 0.014 4.323 4.320 -0.018 0.000 0.197 271 K C 1.642 178.261 176.600 0.032 0.000 1.042 271 K CA 0.714 57.006 56.287 0.009 0.000 0.987 271 K CB 0.229 32.732 32.500 0.005 0.000 0.779 271 K HN 0.293 nan 8.250 nan 0.000 0.484 272 A N 0.511 123.361 122.820 0.050 0.000 2.238 272 A HA 0.029 4.338 4.320 -0.018 0.000 0.210 272 A C 1.516 179.130 177.584 0.051 0.000 1.179 272 A CA 0.337 52.420 52.037 0.077 0.000 0.827 272 A CB -0.103 18.981 19.000 0.141 0.000 0.856 272 A HN 0.235 nan 8.150 nan 0.000 0.488 273 N N -0.403 118.311 118.700 0.023 0.000 2.368 273 N HA 0.140 4.869 4.740 -0.018 0.000 0.178 273 N C 1.276 176.778 175.510 -0.014 0.000 1.076 273 N CA 0.260 53.311 53.050 0.002 0.000 0.889 273 N CB 0.212 38.688 38.487 -0.019 0.000 1.040 273 N HN 0.447 nan 8.380 nan 0.000 0.463 274 I N 0.247 120.810 120.570 -0.012 0.000 2.928 274 I HA -0.081 4.078 4.170 -0.018 0.000 0.266 274 I C 1.921 178.042 176.117 0.007 0.000 1.234 274 I CA 0.431 61.723 61.300 -0.013 0.000 1.483 274 I CB 0.099 38.095 38.000 -0.006 0.000 1.097 274 I HN 0.033 nan 8.210 nan 0.000 0.455 275 S N 0.189 115.902 115.700 0.021 0.000 2.562 275 S HA 0.066 4.525 4.470 -0.018 0.000 0.221 275 S C 1.306 175.929 174.600 0.037 0.000 0.975 275 S CA 0.576 58.797 58.200 0.035 0.000 0.918 275 S CB 0.115 63.342 63.200 0.046 0.000 0.772 275 S HN 0.314 nan 8.310 nan 0.000 0.531 276 L N 0.731 121.970 121.223 0.027 0.000 3.069 276 L HA 0.496 4.826 4.340 -0.018 0.000 0.271 276 L C 1.643 178.519 176.870 0.010 0.000 1.201 276 L CA 0.171 55.028 54.840 0.028 0.000 1.015 276 L CB 0.638 42.718 42.059 0.035 0.000 1.371 276 L HN 0.076 nan 8.230 nan 0.000 0.574 277 E N -0.855 119.338 120.200 -0.010 0.000 2.251 277 E HA 0.200 4.539 4.350 -0.018 0.000 0.194 277 E C 0.216 176.795 176.600 -0.035 0.000 0.964 277 E CA 0.413 56.786 56.400 -0.044 0.000 0.868 277 E CB 0.590 30.238 29.700 -0.088 0.000 0.828 277 E HN 0.218 nan 8.360 nan 0.000 0.481 278 T N 1.648 116.203 114.554 0.001 0.000 2.909 278 T HA 0.325 4.664 4.350 -0.018 0.000 0.286 278 T C 0.929 175.664 174.700 0.058 0.000 1.002 278 T CA -0.345 61.784 62.100 0.048 0.000 1.074 278 T CB 1.731 70.629 68.868 0.049 0.000 0.984 278 T HN 0.029 nan 8.240 nan 0.000 0.495 279 L N 0.044 121.313 121.223 0.076 0.000 2.223 279 L HA -0.084 4.245 4.340 -0.018 0.000 0.479 279 L C 0.042 176.954 176.870 0.070 0.000 0.743 279 L CA 1.033 55.915 54.840 0.070 0.000 2.667 279 L CB -0.989 41.108 42.059 0.064 0.000 1.018 279 L HN 0.875 nan 8.230 nan 0.000 0.620 280 E N -0.994 119.261 120.200 0.093 0.000 3.428 280 E HA 0.483 4.822 4.350 -0.018 0.000 0.286 280 E C 0.263 176.972 176.600 0.182 0.000 1.204 280 E CA 0.111 56.568 56.400 0.096 0.000 1.015 280 E CB 0.398 30.138 29.700 0.067 0.000 1.370 280 E HN 0.556 nan 8.360 nan 0.000 0.391 281 H N -0.144 118.934 119.070 0.013 0.000 1.800 281 H HA -0.134 4.411 4.556 -0.018 0.000 0.115 281 H C 1.050 176.388 175.328 0.016 0.000 0.647 281 H CA 1.044 57.100 56.048 0.013 0.000 0.412 281 H CB -0.824 28.946 29.762 0.014 0.000 0.313 281 H HN 0.203 nan 8.280 nan 0.000 0.208 282 N N 0.815 119.600 118.700 0.141 0.000 2.014 282 N HA 0.186 4.915 4.740 -0.018 0.000 0.194 282 N C 0.375 175.899 175.510 0.024 0.000 1.083 282 N CA 2.544 55.636 53.050 0.070 0.000 0.870 282 N CB -0.151 38.379 38.487 0.072 0.000 1.061 282 N HN 0.718 nan 8.380 nan 0.000 0.427 283 G N -2.897 105.921 108.800 0.030 0.000 2.163 283 G HA2 0.502 4.451 3.960 -0.018 0.000 0.191 283 G HA3 0.502 4.451 3.960 -0.018 0.000 0.191 283 G C -0.508 174.418 174.900 0.044 0.000 1.517 283 G CA 0.241 45.371 45.100 0.050 0.000 1.024 283 G HN 0.601 nan 8.290 nan 0.000 0.664 284 A N 2.513 125.360 122.820 0.045 0.000 2.189 284 A HA 0.625 4.934 4.320 -0.018 0.000 0.177 284 A C -1.305 176.313 177.584 0.057 0.000 1.745 284 A CA 0.671 52.729 52.037 0.036 0.000 1.284 284 A CB -0.097 18.917 19.000 0.024 0.000 1.508 284 A HN 0.765 nan 8.150 nan 0.000 0.440 285 P HA 0.486 nan 4.420 nan 0.000 0.278 285 P C -0.962 176.458 177.300 0.199 0.000 1.238 285 P CA 0.592 63.761 63.100 0.114 0.000 0.794 285 P CB 0.627 32.379 31.700 0.087 0.000 0.955 286 H N -0.708 118.406 119.070 0.073 0.000 3.112 286 H HA 0.467 5.012 4.556 -0.018 0.000 0.347 286 H C -0.753 174.719 175.328 0.241 0.000 1.188 286 H CA -0.689 55.432 56.048 0.122 0.000 1.240 286 H CB 1.064 30.892 29.762 0.110 0.000 1.920 286 H HN 0.839 nan 8.280 nan 0.000 0.535 287 H N 2.086 120.894 119.070 -0.437 0.000 4.591 287 H HA 0.020 4.565 4.556 -0.018 0.000 0.595 287 H C -0.526 174.560 175.328 -0.403 0.000 1.644 287 H CA 0.399 55.887 56.048 -0.934 0.000 1.336 287 H CB -1.423 26.543 29.762 -2.994 0.000 2.910 287 H HN 0.843 nan 8.280 nan 0.000 0.510 288 A N 1.249 123.847 122.820 -0.370 0.000 2.248 288 A HA 0.061 4.370 4.320 -0.018 0.000 0.210 288 A C 2.371 179.879 177.584 -0.128 0.000 1.174 288 A CA 0.928 52.831 52.037 -0.224 0.000 0.750 288 A CB -0.704 18.217 19.000 -0.132 0.000 0.780 288 A HN 0.975 nan 8.150 nan 0.000 0.478 289 I N -1.566 118.936 120.570 -0.114 0.000 4.654 289 I HA -0.518 3.641 4.170 -0.018 0.000 0.060 289 I C 1.748 177.896 176.117 0.052 0.000 0.626 289 I CA 2.835 64.133 61.300 -0.004 0.000 0.682 289 I CB -0.259 37.680 38.000 -0.102 0.000 0.635 289 I HN 0.574 nan 8.210 nan 0.000 0.168 290 E N 0.241 120.451 120.200 0.016 0.000 2.536 290 E HA 0.028 4.367 4.350 -0.018 0.000 0.220 290 E C 1.330 177.953 176.600 0.038 0.000 0.876 290 E CA 0.578 57.015 56.400 0.061 0.000 1.190 290 E CB -0.289 29.444 29.700 0.055 0.000 1.191 290 E HN 0.788 nan 8.360 nan 0.000 0.557 291 E N 0.939 121.142 120.200 0.004 0.000 2.510 291 E HA -0.020 4.319 4.350 -0.018 0.000 0.202 291 E C 1.460 178.070 176.600 0.017 0.000 1.072 291 E CA 0.684 57.080 56.400 -0.006 0.000 0.883 291 E CB 0.064 29.744 29.700 -0.033 0.000 0.818 291 E HN 0.417 nan 8.360 nan 0.000 0.548 292 A N 0.782 123.628 122.820 0.042 0.000 2.021 292 A HA -0.088 4.221 4.320 -0.018 0.000 0.216 292 A C 1.894 179.522 177.584 0.073 0.000 1.163 292 A CA 0.505 52.578 52.037 0.060 0.000 0.676 292 A CB 0.110 19.151 19.000 0.067 0.000 0.818 292 A HN 0.096 nan 8.150 nan 0.000 0.453 293 E N 0.081 120.329 120.200 0.081 0.000 2.076 293 E HA -0.108 4.231 4.350 -0.018 0.000 0.190 293 E C 2.080 178.738 176.600 0.096 0.000 0.979 293 E CA 1.307 57.763 56.400 0.094 0.000 0.807 293 E CB -0.066 29.699 29.700 0.109 0.000 0.761 293 E HN 0.681 nan 8.360 nan 0.000 0.454 294 S N 0.004 115.748 115.700 0.073 0.000 2.593 294 S HA 0.004 4.463 4.470 -0.018 0.000 0.217 294 S C 1.611 176.237 174.600 0.044 0.000 0.966 294 S CA 0.063 58.303 58.200 0.066 0.000 0.914 294 S CB 0.240 63.457 63.200 0.028 0.000 0.776 294 S HN 0.080 nan 8.310 nan 0.000 0.523 295 L N 0.081 121.325 121.223 0.035 0.000 2.556 295 L HA 0.529 4.858 4.340 -0.018 0.000 0.226 295 L C 1.697 178.618 176.870 0.086 0.000 1.089 295 L CA 0.418 55.264 54.840 0.009 0.000 0.864 295 L CB -0.000 42.076 42.059 0.028 0.000 1.067 295 L HN 0.391 nan 8.230 nan 0.000 0.477 296 L N -0.827 120.461 121.223 0.108 0.000 2.209 296 L HA -0.053 4.276 4.340 -0.018 0.000 0.207 296 L C 2.338 179.284 176.870 0.126 0.000 1.094 296 L CA 1.395 56.310 54.840 0.124 0.000 0.790 296 L CB -0.261 41.856 42.059 0.097 0.000 0.932 296 L HN 0.376 nan 8.230 nan 0.000 0.447 297 Q N -0.830 119.051 119.800 0.135 0.000 2.049 297 Q HA -0.237 4.092 4.340 -0.018 0.000 0.198 297 Q C 2.102 178.183 176.000 0.136 0.000 0.971 297 Q CA 2.137 58.035 55.803 0.159 0.000 0.833 297 Q CB -0.717 28.143 28.738 0.203 0.000 0.896 297 Q HN 0.450 nan 8.270 nan 0.000 0.434 298 F N 0.515 120.428 119.950 -0.062 0.000 2.091 298 F HA -0.239 4.277 4.527 -0.018 0.000 0.299 298 F C 1.747 177.487 175.800 -0.099 0.000 1.103 298 F CA 2.453 60.366 58.000 -0.145 0.000 1.228 298 F CB -0.348 38.464 39.000 -0.314 0.000 0.984 298 F HN 0.327 nan 8.300 nan 0.000 0.477 299 H N -1.920 117.224 119.070 0.123 0.000 2.512 299 H HA 0.017 4.563 4.556 -0.018 0.000 0.279 299 H C 2.076 177.425 175.328 0.036 0.000 0.999 299 H CA 0.849 56.920 56.048 0.039 0.000 1.283 299 H CB 0.036 29.872 29.762 0.123 0.000 1.421 299 H HN 0.153 nan 8.280 nan 0.000 0.554 300 V N 0.497 120.496 119.914 0.143 0.000 2.871 300 V HA -0.110 3.999 4.120 -0.018 0.000 0.256 300 V C 2.388 178.540 176.094 0.098 0.000 1.082 300 V CA 1.339 63.723 62.300 0.141 0.000 1.105 300 V CB -0.430 31.456 31.823 0.104 0.000 0.713 300 V HN 0.522 nan 8.190 nan 0.000 0.473 301 A N 0.199 123.015 122.820 -0.008 0.000 1.970 301 A HA -0.094 4.215 4.320 -0.018 0.000 0.216 301 A C 2.358 179.841 177.584 -0.170 0.000 1.170 301 A CA 1.936 53.913 52.037 -0.099 0.000 0.645 301 A CB -0.570 18.354 19.000 -0.126 0.000 0.816 301 A HN 0.484 nan 8.150 nan 0.000 0.447 302 T N -1.429 112.987 114.554 -0.230 0.000 2.937 302 T HA -0.089 4.250 4.350 -0.018 0.000 0.260 302 T C 1.743 176.429 174.700 -0.024 0.000 1.051 302 T CA 1.280 63.250 62.100 -0.216 0.000 1.141 302 T CB -0.467 68.213 68.868 -0.313 0.000 0.879 302 T HN 0.615 nan 8.240 nan 0.000 0.459 303 Y N 0.843 121.113 120.300 -0.050 0.000 2.483 303 Y HA 0.029 4.568 4.550 -0.018 0.000 0.291 303 Y C 1.969 177.866 175.900 -0.004 0.000 1.143 303 Y CA 0.753 58.848 58.100 -0.008 0.000 1.289 303 Y CB -0.191 38.278 38.460 0.014 0.000 0.983 303 Y HN 0.080 nan 8.280 nan 0.000 0.556 304 M N -0.390 119.081 119.600 -0.215 0.000 2.567 304 M HA 0.212 4.681 4.480 -0.018 0.000 0.261 304 M C -1.007 175.226 176.300 -0.113 0.000 1.180 304 M CA 0.525 55.672 55.300 -0.255 0.000 1.143 304 M CB 0.696 33.183 32.600 -0.188 0.000 1.319 304 M HN 0.203 nan 8.290 nan 0.000 0.490 305 D N -0.908 119.434 120.400 -0.096 0.000 2.751 305 D HA 0.226 4.855 4.640 -0.018 0.000 0.236 305 D C -1.596 174.655 176.300 -0.082 0.000 1.196 305 D CA -0.211 53.752 54.000 -0.062 0.000 0.741 305 D CB 0.657 41.445 40.800 -0.021 0.000 1.474 305 D HN 0.388 nan 8.370 nan 0.000 0.452 306 N N 1.092 119.757 118.700 -0.058 0.000 2.471 306 N HA 0.115 4.844 4.740 -0.018 0.000 0.270 306 N C -0.801 174.695 175.510 -0.023 0.000 1.490 306 N CA -0.398 52.619 53.050 -0.054 0.000 0.850 306 N CB 0.833 39.289 38.487 -0.051 0.000 1.411 306 N HN 0.094 nan 8.380 nan 0.000 0.488 307 D N 1.161 121.548 120.400 -0.022 0.000 2.349 307 D HA 0.120 4.749 4.640 -0.018 0.000 0.214 307 D C 0.879 177.173 176.300 -0.009 0.000 1.063 307 D CA -0.051 53.941 54.000 -0.013 0.000 0.847 307 D CB 0.710 41.500 40.800 -0.017 0.000 0.933 307 D HN 0.446 nan 8.370 nan 0.000 0.513 308 I N -0.090 120.473 120.570 -0.010 0.000 2.882 308 I HA 0.221 4.380 4.170 -0.018 0.000 0.286 308 I C 0.702 176.825 176.117 0.010 0.000 1.139 308 I CA -1.412 59.885 61.300 -0.005 0.000 1.379 308 I CB 0.135 38.128 38.000 -0.012 0.000 1.410 308 I HN -0.228 nan 8.210 nan 0.000 0.594 309 A N 3.216 126.042 122.820 0.010 0.000 2.444 309 A HA 0.610 4.919 4.320 -0.018 0.000 0.273 309 A C 0.819 178.421 177.584 0.030 0.000 1.136 309 A CA 0.665 52.711 52.037 0.016 0.000 0.799 309 A CB -1.153 17.853 19.000 0.009 0.000 1.081 309 A HN 1.399 nan 8.150 nan 0.000 0.509 310 G N 1.916 110.740 108.800 0.040 0.000 2.060 310 G HA2 0.209 4.158 3.960 -0.018 0.000 0.060 310 G HA3 0.209 4.158 3.960 -0.018 0.000 0.060 310 G C -0.773 174.168 174.900 0.069 0.000 0.724 310 G CA -0.408 44.726 45.100 0.057 0.000 1.129 310 G HN 0.767 nan 8.290 nan 0.000 0.374 311 Q N 0.994 120.869 119.800 0.124 0.000 2.323 311 Q HA 0.496 4.825 4.340 -0.018 0.000 0.271 311 Q C -1.966 174.147 176.000 0.190 0.000 1.048 311 Q CA -1.775 54.112 55.803 0.139 0.000 0.792 311 Q CB 3.209 32.023 28.738 0.126 0.000 1.280 311 Q HN 0.302 nan 8.270 nan 0.000 0.441 312 P HA 0.015 nan 4.420 nan 0.000 0.212 312 P C -0.193 177.182 177.300 0.125 0.000 1.171 312 P CA 0.561 63.718 63.100 0.096 0.000 0.892 312 P CB 0.645 32.378 31.700 0.055 0.000 0.769 313 Q N -3.567 116.309 119.800 0.128 0.000 2.829 313 Q HA 0.468 4.797 4.340 -0.018 0.000 0.319 313 Q C -1.892 174.161 176.000 0.089 0.000 0.770 313 Q CA -0.065 55.826 55.803 0.147 0.000 1.029 313 Q CB -0.637 28.191 28.738 0.150 0.000 1.210 313 Q HN 0.181 nan 8.270 nan 0.000 0.485 320 R N 0.793 121.279 120.500 -0.023 0.000 2.822 320 R HA 0.444 4.773 4.340 -0.018 0.000 0.277 320 R C -1.704 174.580 176.300 -0.026 0.000 1.102 320 R CA -0.061 56.029 56.100 -0.017 0.000 1.207 320 R CB -0.561 29.736 30.300 -0.005 0.000 1.139 320 R HN 0.400 nan 8.270 nan 0.000 0.557 321 P HA 0.311 nan 4.420 nan 0.000 0.325 321 P C -0.593 176.703 177.300 -0.007 0.000 1.382 321 P CA -0.387 62.707 63.100 -0.011 0.000 0.863 321 P CB 0.081 31.774 31.700 -0.012 0.000 2.140 322 V N -2.778 117.134 119.914 -0.003 0.000 3.007 322 V HA 0.512 4.621 4.120 -0.018 0.000 0.311 322 V C 0.656 176.749 176.094 -0.002 0.000 1.120 322 V CA -0.872 61.430 62.300 0.003 0.000 0.980 322 V CB 1.953 33.785 31.823 0.015 0.000 1.033 322 V HN 0.510 nan 8.190 nan 0.000 0.429 323 K N 1.732 122.135 120.400 0.005 0.000 2.189 323 K HA 0.257 4.566 4.320 -0.018 0.000 0.218 323 K C 1.154 177.745 176.600 -0.016 0.000 1.031 323 K CA 1.550 57.838 56.287 0.002 0.000 0.962 323 K CB -0.877 31.638 32.500 0.024 0.000 1.005 323 K HN 1.890 nan 8.250 nan 0.000 0.459 324 S N 0.366 116.054 115.700 -0.019 0.000 2.765 324 S HA -0.208 4.251 4.470 -0.018 0.000 0.266 324 S C 0.934 175.443 174.600 -0.151 0.000 1.302 324 S CA 0.968 59.122 58.200 -0.077 0.000 1.274 324 S CB -2.167 60.996 63.200 -0.062 0.000 1.559 324 S HN 0.590 nan 8.310 nan 0.000 0.658 325 I N -1.117 119.387 120.570 -0.109 0.000 4.381 325 I HA -0.452 3.707 4.170 -0.018 0.000 0.070 325 I C 2.092 178.158 176.117 -0.085 0.000 0.586 325 I CA 2.075 63.310 61.300 -0.109 0.000 1.055 325 I CB -1.737 36.150 38.000 -0.188 0.000 0.943 325 I HN 0.532 nan 8.210 nan 0.000 0.171 326 R N 1.433 121.883 120.500 -0.083 0.000 2.119 326 R HA -0.214 4.115 4.340 -0.018 0.000 0.246 326 R C 2.072 178.336 176.300 -0.060 0.000 1.146 326 R CA 2.537 58.600 56.100 -0.062 0.000 0.962 326 R CB -0.371 29.923 30.300 -0.011 0.000 0.863 326 R HN 0.659 nan 8.270 nan 0.000 0.442 327 A N 0.490 123.281 122.820 -0.050 0.000 2.014 327 A HA -0.060 4.249 4.320 -0.018 0.000 0.218 327 A C 2.213 179.772 177.584 -0.041 0.000 1.163 327 A CA 0.764 52.776 52.037 -0.042 0.000 0.652 327 A CB -0.296 18.684 19.000 -0.034 0.000 0.808 327 A HN 0.296 nan 8.150 nan 0.000 0.449 328 R N -0.592 119.883 120.500 -0.041 0.000 2.092 328 R HA 0.037 4.366 4.340 -0.018 0.000 0.231 328 R C 1.819 178.096 176.300 -0.039 0.000 1.119 328 R CA 1.206 57.287 56.100 -0.033 0.000 0.970 328 R CB -0.355 29.930 30.300 -0.025 0.000 0.864 328 R HN 0.503 nan 8.270 nan 0.000 0.440 329 L N 0.673 121.863 121.223 -0.055 0.000 2.156 329 L HA -0.031 4.298 4.340 -0.018 0.000 0.208 329 L C 1.244 178.075 176.870 -0.065 0.000 1.095 329 L CA 0.584 55.386 54.840 -0.064 0.000 0.770 329 L CB -0.319 41.681 42.059 -0.099 0.000 0.914 329 L HN 0.085 nan 8.230 nan 0.000 0.439 330 K N 1.249 121.609 120.400 -0.066 0.000 2.518 330 K HA 0.016 4.325 4.320 -0.018 0.000 0.276 330 K C 0.459 177.024 176.600 -0.058 0.000 0.974 330 K CA 0.142 56.389 56.287 -0.067 0.000 0.986 330 K CB 0.498 32.961 32.500 -0.061 0.000 0.901 330 K HN 0.100 nan 8.250 nan 0.000 0.497 331 G N 2.629 111.390 108.800 -0.065 0.000 2.484 331 G HA2 0.027 3.976 3.960 -0.018 0.000 0.235 331 G HA3 0.027 3.976 3.960 -0.018 0.000 0.235 331 G C -0.688 174.180 174.900 -0.053 0.000 1.282 331 G CA 0.012 45.077 45.100 -0.059 0.000 0.857 331 G HN 0.783 nan 8.290 nan 0.000 0.571 332 K N 0.766 121.143 120.400 -0.039 0.000 7.265 332 K HA -0.200 4.109 4.320 -0.018 0.000 0.656 332 K C 0.832 177.415 176.600 -0.029 0.000 2.578 332 K CA 0.962 57.230 56.287 -0.032 0.000 1.945 332 K CB -0.138 32.337 32.500 -0.041 0.000 2.193 332 K HN 0.843 nan 8.250 nan 0.000 0.248 333 E N -2.024 118.164 120.200 -0.020 0.000 3.680 333 E HA -0.237 4.103 4.350 -0.018 0.000 0.309 333 E C 0.555 177.145 176.600 -0.018 0.000 0.793 333 E CA 2.016 58.406 56.400 -0.018 0.000 1.083 333 E CB -1.634 28.054 29.700 -0.021 0.000 1.548 333 E HN 0.742 nan 8.360 nan 0.000 0.456 334 G N -0.489 108.298 108.800 -0.021 0.000 2.521 334 G HA2 0.385 4.335 3.960 -0.018 0.000 0.323 334 G HA3 0.385 4.335 3.960 -0.018 0.000 0.323 334 G C 0.982 175.872 174.900 -0.016 0.000 1.211 334 G CA -0.329 44.757 45.100 -0.022 0.000 0.979 334 G HN -0.135 nan 8.290 nan 0.000 0.490 335 R N -0.459 120.030 120.500 -0.017 0.000 2.162 335 R HA -0.187 4.142 4.340 -0.018 0.000 0.245 335 R C 2.268 178.565 176.300 -0.006 0.000 1.129 335 R CA 1.608 57.702 56.100 -0.010 0.000 0.940 335 R CB -0.873 29.420 30.300 -0.012 0.000 0.875 335 R HN 0.644 nan 8.270 nan 0.000 0.437 336 I N -0.093 120.471 120.570 -0.010 0.000 2.270 336 I HA -0.129 4.030 4.170 -0.018 0.000 0.239 336 I C 2.498 178.617 176.117 0.004 0.000 1.080 336 I CA 0.630 61.929 61.300 -0.002 0.000 1.383 336 I CB -0.276 37.721 38.000 -0.006 0.000 1.097 336 I HN 0.038 nan 8.210 nan 0.000 0.420 337 R N 0.754 121.253 120.500 -0.002 0.000 2.189 337 R HA -0.030 4.299 4.340 -0.018 0.000 0.223 337 R C 1.760 178.063 176.300 0.005 0.000 1.092 337 R CA 1.451 57.553 56.100 0.004 0.000 0.989 337 R CB -0.331 29.965 30.300 -0.006 0.000 0.876 337 R HN 0.464 nan 8.270 nan 0.000 0.457 338 G N -1.023 107.777 108.800 0.000 0.000 3.104 338 G HA2 0.007 3.956 3.960 -0.018 0.000 0.237 338 G HA3 0.007 3.956 3.960 -0.018 0.000 0.237 338 G C 0.765 175.668 174.900 0.005 0.000 1.035 338 G CA -0.254 44.848 45.100 0.002 0.000 0.844 338 G HN 0.162 nan 8.290 nan 0.000 0.531 339 N N -0.263 118.440 118.700 0.005 0.000 2.118 339 N HA 0.282 5.011 4.740 -0.018 0.000 0.226 339 N C 1.038 176.555 175.510 0.011 0.000 1.305 339 N CA 0.009 53.064 53.050 0.008 0.000 0.890 339 N CB 1.332 39.823 38.487 0.006 0.000 1.118 339 N HN 0.211 nan 8.380 nan 0.000 0.511 340 L N -0.292 120.937 121.223 0.011 0.000 2.713 340 L HA 0.344 4.673 4.340 -0.018 0.000 0.223 340 L C 1.542 178.420 176.870 0.013 0.000 1.040 340 L CA 0.248 55.096 54.840 0.013 0.000 0.894 340 L CB 0.317 42.383 42.059 0.012 0.000 1.361 340 L HN -0.050 nan 8.230 nan 0.000 0.490 341 M N -0.440 119.169 119.600 0.014 0.000 2.495 341 M HA 0.271 4.740 4.480 -0.018 0.000 0.237 341 M C 0.412 176.721 176.300 0.014 0.000 1.131 341 M CA 0.333 55.642 55.300 0.015 0.000 1.032 341 M CB 0.422 33.035 32.600 0.022 0.000 1.513 341 M HN 0.219 nan 8.290 nan 0.000 0.488 342 G N 1.621 110.430 108.800 0.015 0.000 3.446 342 G HA2 0.313 4.262 3.960 -0.018 0.000 0.314 342 G HA3 0.313 4.262 3.960 -0.018 0.000 0.314 342 G C -0.732 174.180 174.900 0.021 0.000 1.539 342 G CA -0.553 44.557 45.100 0.017 0.000 0.848 342 G HN 0.085 nan 8.290 nan 0.000 0.488 343 K N 0.970 121.386 120.400 0.026 0.000 2.205 343 K HA 0.363 4.672 4.320 -0.018 0.000 0.279 343 K C 0.351 176.977 176.600 0.044 0.000 1.027 343 K CA -0.761 55.545 56.287 0.032 0.000 0.932 343 K CB 1.832 34.352 32.500 0.033 0.000 1.032 343 K HN 0.303 nan 8.250 nan 0.000 0.466 344 R N 1.683 122.207 120.500 0.041 0.000 2.489 344 R HA 0.062 4.391 4.340 -0.018 0.000 0.287 344 R C -0.477 175.862 176.300 0.065 0.000 1.053 344 R CA -0.103 56.025 56.100 0.047 0.000 1.036 344 R CB 0.363 30.681 30.300 0.031 0.000 0.966 344 R HN 0.436 nan 8.270 nan 0.000 0.432 345 V N 0.320 120.287 119.914 0.088 0.000 2.769 345 V HA 0.498 4.607 4.120 -0.018 0.000 0.312 345 V C -0.236 175.932 176.094 0.124 0.000 1.061 345 V CA -1.192 61.184 62.300 0.125 0.000 0.931 345 V CB 2.052 33.987 31.823 0.186 0.000 1.010 345 V HN 0.595 nan 8.190 nan 0.000 0.433 346 D N 1.559 122.062 120.400 0.171 0.000 2.414 346 D HA 0.397 5.026 4.640 -0.018 0.000 0.259 346 D C 0.244 176.706 176.300 0.269 0.000 1.269 346 D CA 0.026 54.120 54.000 0.156 0.000 1.028 346 D CB 0.038 40.964 40.800 0.211 0.000 1.093 346 D HN 0.707 nan 8.370 nan 0.000 0.545 347 F N -0.912 119.061 119.950 0.039 0.000 2.943 347 F HA -0.249 4.268 4.527 -0.018 0.000 0.258 347 F C 0.294 176.103 175.800 0.016 0.000 0.995 347 F CA 0.276 58.308 58.000 0.053 0.000 0.896 347 F CB -1.930 37.122 39.000 0.087 0.000 0.821 347 F HN 0.106 nan 8.300 nan 0.000 0.828 348 S N -1.034 114.695 115.700 0.050 0.000 2.564 348 S HA 0.997 5.456 4.470 -0.018 0.000 0.274 348 S C -0.534 174.045 174.600 -0.034 0.000 1.124 348 S CA -0.399 57.746 58.200 -0.091 0.000 0.869 348 S CB 2.595 65.633 63.200 -0.270 0.000 1.105 348 S HN 1.183 nan 8.310 nan 0.000 0.472 349 A N 0.901 123.714 122.820 -0.011 0.000 2.515 349 A HA 0.931 5.240 4.320 -0.018 0.000 0.298 349 A C -0.785 176.911 177.584 0.187 0.000 1.059 349 A CA -0.900 51.215 52.037 0.131 0.000 0.698 349 A CB 1.833 21.004 19.000 0.284 0.000 1.289 349 A HN 1.031 nan 8.150 nan 0.000 0.404 350 R N 0.354 120.991 120.500 0.228 0.000 2.564 350 R HA 0.778 5.107 4.340 -0.018 0.000 0.284 350 R C -1.273 175.173 176.300 0.244 0.000 1.031 350 R CA 0.253 56.468 56.100 0.191 0.000 0.904 350 R CB 1.991 32.330 30.300 0.065 0.000 1.199 350 R HN 0.869 nan 8.270 nan 0.000 0.443 351 T N 1.484 116.227 114.554 0.315 0.000 2.749 351 T HA 0.256 4.595 4.350 -0.018 0.000 0.310 351 T C -1.124 173.715 174.700 0.231 0.000 1.496 351 T CA -0.694 61.554 62.100 0.247 0.000 1.006 351 T CB 1.262 70.250 68.868 0.199 0.000 1.457 351 T HN 0.274 nan 8.240 nan 0.000 0.497 352 V N 2.254 122.256 119.914 0.148 0.000 2.740 352 V HA 0.341 4.450 4.120 -0.018 0.000 0.303 352 V C 0.338 176.554 176.094 0.203 0.000 1.054 352 V CA -0.144 62.241 62.300 0.142 0.000 1.106 352 V CB 0.020 31.899 31.823 0.093 0.000 0.957 352 V HN 0.700 nan 8.190 nan 0.000 0.486 353 I N 2.092 122.798 120.570 0.228 0.000 2.493 353 I HA 0.865 5.024 4.170 -0.018 0.000 0.298 353 I C 0.021 176.268 176.117 0.217 0.000 0.998 353 I CA -0.268 61.198 61.300 0.277 0.000 1.137 353 I CB 2.064 40.271 38.000 0.345 0.000 1.310 353 I HN 0.597 nan 8.210 nan 0.000 0.445 354 S N 2.507 118.155 115.700 -0.085 0.000 2.632 354 S HA 0.822 5.281 4.470 -0.018 0.000 0.289 354 S C -0.134 173.776 174.600 -1.150 0.000 1.115 354 S CA -0.845 56.997 58.200 -0.597 0.000 0.889 354 S CB 1.452 64.469 63.200 -0.305 0.000 1.116 354 S HN 1.044 nan 8.310 nan 0.000 0.486 355 G N 0.022 107.816 108.800 -1.676 0.000 2.372 355 G HA2 0.497 4.446 3.960 -0.018 0.000 0.283 355 G HA3 0.497 4.446 3.960 -0.018 0.000 0.283 355 G C -1.186 173.470 174.900 -0.406 0.000 1.177 355 G CA -0.208 44.253 45.100 -1.064 0.000 0.842 355 G HN 0.661 nan 8.290 nan 0.000 0.503 356 D N 2.588 122.866 120.400 -0.203 0.000 2.386 356 D HA 0.245 4.874 4.640 -0.018 0.000 0.247 356 D C -1.848 174.429 176.300 -0.038 0.000 1.336 356 D CA -1.499 52.435 54.000 -0.111 0.000 0.976 356 D CB 2.585 43.323 40.800 -0.103 0.000 1.257 356 D HN 0.147 nan 8.370 nan 0.000 0.570 357 P HA 0.046 nan 4.420 nan 0.000 0.242 357 P C 0.389 177.695 177.300 0.009 0.000 1.197 357 P CA 0.239 63.341 63.100 0.002 0.000 0.765 357 P CB 0.513 32.208 31.700 -0.009 0.000 0.936 358 N N -0.530 118.180 118.700 0.017 0.000 2.235 358 N HA 0.184 4.913 4.740 -0.018 0.000 0.209 358 N C 0.421 175.963 175.510 0.053 0.000 1.122 358 N CA 0.039 53.123 53.050 0.056 0.000 0.845 358 N CB 0.314 38.855 38.487 0.090 0.000 1.004 358 N HN 0.249 nan 8.380 nan 0.000 0.499 359 L N 0.345 121.587 121.223 0.033 0.000 2.358 359 L HA 0.344 4.673 4.340 -0.018 0.000 0.268 359 L C 0.526 177.424 176.870 0.047 0.000 1.032 359 L CA -0.756 54.104 54.840 0.033 0.000 0.805 359 L CB 1.164 43.230 42.059 0.012 0.000 1.253 359 L HN -0.102 nan 8.230 nan 0.000 0.452 360 E N 0.790 121.019 120.200 0.049 0.000 2.242 360 E HA 0.112 4.451 4.350 -0.018 0.000 0.275 360 E C 0.593 177.226 176.600 0.055 0.000 1.002 360 E CA -0.541 55.894 56.400 0.057 0.000 0.841 360 E CB 1.934 31.667 29.700 0.054 0.000 1.109 360 E HN 0.391 nan 8.360 nan 0.000 0.394 361 L N 2.427 123.679 121.223 0.049 0.000 2.051 361 L HA -0.234 4.095 4.340 -0.018 0.000 0.214 361 L C 1.461 178.345 176.870 0.024 0.000 1.076 361 L CA 2.115 56.962 54.840 0.012 0.000 0.758 361 L CB -0.244 41.793 42.059 -0.037 0.000 0.890 361 L HN 0.550 nan 8.230 nan 0.000 0.433 362 D N -1.559 118.846 120.400 0.008 0.000 2.323 362 D HA -0.059 4.570 4.640 -0.018 0.000 0.239 362 D C 0.459 176.814 176.300 0.092 0.000 1.129 362 D CA 0.062 54.037 54.000 -0.042 0.000 0.865 362 D CB -0.127 40.637 40.800 -0.061 0.000 0.913 362 D HN 0.491 nan 8.370 nan 0.000 0.517 363 Q N -0.431 119.475 119.800 0.178 0.000 2.194 363 Q HA 0.602 4.931 4.340 -0.018 0.000 0.245 363 Q C -1.097 174.951 176.000 0.081 0.000 0.993 363 Q CA -1.120 54.767 55.803 0.139 0.000 0.930 363 Q CB 3.055 31.824 28.738 0.052 0.000 1.238 363 Q HN 0.026 nan 8.270 nan 0.000 0.486 364 V N -0.297 119.555 119.914 -0.104 0.000 2.697 364 V HA 0.505 4.614 4.120 -0.018 0.000 0.300 364 V C -0.771 175.228 176.094 -0.160 0.000 1.115 364 V CA -0.325 61.755 62.300 -0.367 0.000 0.912 364 V CB 1.741 33.163 31.823 -0.670 0.000 1.024 364 V HN 0.848 nan 8.190 nan 0.000 0.431 365 G N 6.029 114.761 108.800 -0.113 0.000 2.985 365 G HA2 0.413 4.362 3.960 -0.018 0.000 0.282 365 G HA3 0.413 4.362 3.960 -0.018 0.000 0.282 365 G C -0.123 174.810 174.900 0.055 0.000 0.791 365 G CA -0.142 44.947 45.100 -0.018 0.000 1.934 365 G HN 0.808 nan 8.290 nan 0.000 0.563 366 V N 3.659 123.605 119.914 0.054 0.000 2.521 366 V HA 0.113 4.222 4.120 -0.018 0.000 0.286 366 V C -1.664 174.353 176.094 -0.128 0.000 1.034 366 V CA -1.236 61.076 62.300 0.020 0.000 1.045 366 V CB 1.414 33.302 31.823 0.108 0.000 0.974 366 V HN 0.412 nan 8.190 nan 0.000 0.480 367 P HA 0.152 nan 4.420 nan 0.000 0.271 367 P C 0.636 177.830 177.300 -0.176 0.000 1.218 367 P CA -0.296 62.671 63.100 -0.221 0.000 0.780 367 P CB 0.780 32.303 31.700 -0.295 0.000 0.901 368 K N 1.747 122.048 120.400 -0.165 0.000 2.063 368 K HA -0.181 4.128 4.320 -0.018 0.000 0.208 368 K C 2.005 178.531 176.600 -0.123 0.000 1.048 368 K CA 2.231 58.413 56.287 -0.176 0.000 0.928 368 K CB -0.429 31.956 32.500 -0.192 0.000 0.713 368 K HN 0.547 nan 8.250 nan 0.000 0.442 369 S N 0.463 116.089 115.700 -0.123 0.000 2.419 369 S HA -0.120 4.339 4.470 -0.018 0.000 0.233 369 S C 1.881 176.421 174.600 -0.100 0.000 1.016 369 S CA 1.098 59.235 58.200 -0.106 0.000 0.974 369 S CB -0.507 62.634 63.200 -0.099 0.000 0.786 369 S HN 0.324 nan 8.310 nan 0.000 0.492 370 I N 1.831 122.334 120.570 -0.111 0.000 2.406 370 I HA 0.031 4.190 4.170 -0.018 0.000 0.249 370 I C 3.073 179.168 176.117 -0.036 0.000 1.122 370 I CA 0.907 62.161 61.300 -0.075 0.000 1.431 370 I CB -0.794 37.145 38.000 -0.101 0.000 1.087 370 I HN 0.405 nan 8.210 nan 0.000 0.424 371 A N 1.272 124.073 122.820 -0.032 0.000 1.972 371 A HA -0.194 4.115 4.320 -0.018 0.000 0.219 371 A C 2.315 179.836 177.584 -0.103 0.000 1.169 371 A CA 1.469 53.528 52.037 0.036 0.000 0.635 371 A CB -0.455 18.623 19.000 0.130 0.000 0.810 371 A HN 0.326 nan 8.150 nan 0.000 0.446 372 K N -0.840 119.425 120.400 -0.224 0.000 2.147 372 K HA -0.108 4.201 4.320 -0.018 0.000 0.205 372 K C 1.741 178.072 176.600 -0.449 0.000 1.049 372 K CA 1.814 57.761 56.287 -0.567 0.000 0.936 372 K CB -0.169 32.176 32.500 -0.259 0.000 0.722 372 K HN 0.632 nan 8.250 nan 0.000 0.446 373 T N 0.291 114.766 114.554 -0.133 0.000 3.042 373 T HA 0.143 4.482 4.350 -0.018 0.000 0.245 373 T C 0.818 175.566 174.700 0.080 0.000 1.029 373 T CA -0.061 62.039 62.100 -0.001 0.000 1.120 373 T CB 0.192 69.053 68.868 -0.011 0.000 0.917 373 T HN -0.017 nan 8.240 nan 0.000 0.467 374 L N 2.656 123.938 121.223 0.100 0.000 2.369 374 L HA 0.322 4.651 4.340 -0.018 0.000 0.279 374 L C 0.656 177.704 176.870 0.297 0.000 1.108 374 L CA -0.216 54.737 54.840 0.189 0.000 0.852 374 L CB 0.817 42.991 42.059 0.191 0.000 1.169 374 L HN 0.154 nan 8.230 nan 0.000 0.452 375 T N 2.505 117.294 114.554 0.391 0.000 2.884 375 T HA 0.431 4.770 4.350 -0.018 0.000 0.277 375 T C -1.356 173.618 174.700 0.457 0.000 0.976 375 T CA -0.220 62.132 62.100 0.419 0.000 0.956 375 T CB 0.900 70.004 68.868 0.393 0.000 1.113 375 T HN 0.416 nan 8.240 nan 0.000 0.554 376 Y N 1.861 122.277 120.300 0.193 0.000 2.274 376 Y HA 0.421 4.960 4.550 -0.019 0.000 0.323 376 Y C -2.850 173.089 175.900 0.065 0.000 1.171 376 Y CA -2.181 55.973 58.100 0.090 0.000 1.163 376 Y CB 1.286 39.788 38.460 0.070 0.000 1.183 376 Y HN 0.473 nan 8.280 nan 0.000 0.424 377 P HA 0.068 nan 4.420 nan 0.000 0.262 377 P C -1.061 175.815 177.300 -0.707 0.000 1.182 377 P CA 0.601 63.419 63.100 -0.470 0.000 0.761 377 P CB 0.594 32.070 31.700 -0.373 0.000 0.795 378 E N 2.428 122.461 120.200 -0.278 0.000 2.278 378 E HA 0.330 4.669 4.350 -0.018 0.000 0.272 378 E C -1.061 175.531 176.600 -0.013 0.000 0.890 378 E CA -0.850 55.483 56.400 -0.113 0.000 0.770 378 E CB 1.349 31.080 29.700 0.052 0.000 1.212 378 E HN 0.035 nan 8.360 nan 0.000 0.415 379 V N 2.858 122.785 119.914 0.020 0.000 3.003 379 V HA 0.151 4.260 4.120 -0.018 0.000 0.305 379 V C 0.452 176.603 176.094 0.095 0.000 1.078 379 V CA -0.681 61.659 62.300 0.066 0.000 1.083 379 V CB 1.070 32.936 31.823 0.073 0.000 1.039 379 V HN 0.554 nan 8.190 nan 0.000 0.481 380 V N 0.756 120.735 119.914 0.109 0.000 2.339 380 V HA 0.441 4.550 4.120 -0.018 0.000 0.261 380 V C 0.197 176.361 176.094 0.116 0.000 1.058 380 V CA -0.196 62.150 62.300 0.077 0.000 0.897 380 V CB -0.308 31.518 31.823 0.006 0.000 1.052 380 V HN 0.906 nan 8.190 nan 0.000 0.480 381 T N 7.069 121.704 114.554 0.135 0.000 2.867 381 T HA 0.423 4.762 4.350 -0.018 0.000 0.282 381 T C -1.530 173.238 174.700 0.113 0.000 1.000 381 T CA -1.490 60.696 62.100 0.145 0.000 1.042 381 T CB 1.648 70.608 68.868 0.152 0.000 0.973 381 T HN 0.520 nan 8.240 nan 0.000 0.465 382 P HA -0.158 nan 4.420 nan 0.000 0.229 382 P C 0.514 177.804 177.300 -0.016 0.000 1.147 382 P CA 1.194 64.381 63.100 0.145 0.000 0.766 382 P CB -0.199 31.531 31.700 0.049 0.000 0.775 383 Y N 0.917 121.279 120.300 0.104 0.000 2.457 383 Y HA -0.059 4.480 4.550 -0.019 0.000 0.292 383 Y C 1.638 177.569 175.900 0.050 0.000 1.125 383 Y CA 0.759 58.899 58.100 0.066 0.000 1.254 383 Y CB -0.173 38.322 38.460 0.059 0.000 1.012 383 Y HN 0.203 nan 8.280 nan 0.000 0.555 384 N N -1.662 117.144 118.700 0.177 0.000 2.162 384 N HA 0.056 4.785 4.740 -0.018 0.000 0.232 384 N C 0.153 175.697 175.510 0.057 0.000 1.361 384 N CA 0.006 53.130 53.050 0.124 0.000 0.786 384 N CB -1.209 37.368 38.487 0.150 0.000 1.290 384 N HN 0.218 nan 8.380 nan 0.000 0.505 385 I N -0.030 120.550 120.570 0.017 0.000 2.406 385 I HA -0.070 4.089 4.170 -0.018 0.000 0.249 385 I C 1.185 177.286 176.117 -0.026 0.000 1.122 385 I CA 0.671 61.945 61.300 -0.043 0.000 1.431 385 I CB -0.237 37.686 38.000 -0.129 0.000 1.087 385 I HN -0.064 nan 8.210 nan 0.000 0.424 386 D N 1.566 121.964 120.400 -0.003 0.000 2.177 386 D HA -0.288 4.341 4.640 -0.018 0.000 0.189 386 D C 2.136 178.440 176.300 0.006 0.000 1.002 386 D CA 1.762 55.764 54.000 0.004 0.000 0.845 386 D CB -0.540 40.273 40.800 0.022 0.000 0.960 386 D HN 0.320 nan 8.370 nan 0.000 0.447 387 R N 0.324 120.836 120.500 0.020 0.000 2.120 387 R HA -0.062 4.267 4.340 -0.018 0.000 0.234 387 R C 2.447 178.753 176.300 0.010 0.000 1.123 387 R CA 0.795 56.906 56.100 0.019 0.000 0.975 387 R CB -0.269 30.051 30.300 0.033 0.000 0.866 387 R HN 0.202 nan 8.270 nan 0.000 0.446 388 L N -0.218 121.010 121.223 0.009 0.000 2.127 388 L HA -0.041 4.288 4.340 -0.018 0.000 0.203 388 L C 2.295 179.157 176.870 -0.014 0.000 1.080 388 L CA 1.283 56.124 54.840 0.003 0.000 0.768 388 L CB -0.223 41.844 42.059 0.014 0.000 0.924 388 L HN 0.219 nan 8.230 nan 0.000 0.444 389 T N -0.923 113.615 114.554 -0.028 0.000 2.635 389 T HA -0.341 3.998 4.350 -0.018 0.000 0.267 389 T C 1.672 176.357 174.700 -0.025 0.000 1.040 389 T CA 1.868 63.947 62.100 -0.035 0.000 1.156 389 T CB -0.296 68.541 68.868 -0.052 0.000 0.863 389 T HN 0.243 nan 8.240 nan 0.000 0.430 390 Q N 0.693 120.481 119.800 -0.020 0.000 2.103 390 Q HA -0.173 4.156 4.340 -0.018 0.000 0.213 390 Q C 2.138 178.126 176.000 -0.020 0.000 1.008 390 Q CA 1.701 57.495 55.803 -0.015 0.000 0.879 390 Q CB -0.758 27.975 28.738 -0.008 0.000 0.946 390 Q HN 0.398 nan 8.270 nan 0.000 0.413 391 L N -0.351 120.857 121.223 -0.024 0.000 2.079 391 L HA -0.162 4.167 4.340 -0.018 0.000 0.210 391 L C 2.389 179.225 176.870 -0.057 0.000 1.081 391 L CA 1.462 56.276 54.840 -0.042 0.000 0.752 391 L CB -0.872 41.163 42.059 -0.040 0.000 0.896 391 L HN 0.278 nan 8.230 nan 0.000 0.433 392 V N -0.501 119.389 119.914 -0.039 0.000 2.307 392 V HA -0.268 3.841 4.120 -0.018 0.000 0.245 392 V C 2.659 178.733 176.094 -0.034 0.000 1.045 392 V CA 1.662 63.940 62.300 -0.036 0.000 1.024 392 V CB -0.714 31.103 31.823 -0.011 0.000 0.651 392 V HN 0.437 nan 8.190 nan 0.000 0.449 393 R N 0.511 120.996 120.500 -0.025 0.000 2.103 393 R HA -0.227 4.103 4.340 -0.018 0.000 0.242 393 R C 2.162 178.452 176.300 -0.018 0.000 1.142 393 R CA 2.231 58.319 56.100 -0.019 0.000 0.960 393 R CB -0.328 29.963 30.300 -0.016 0.000 0.858 393 R HN 0.546 nan 8.270 nan 0.000 0.439 394 N N -0.399 118.290 118.700 -0.019 0.000 2.272 394 N HA -0.039 4.690 4.740 -0.018 0.000 0.185 394 N C 0.641 176.148 175.510 -0.006 0.000 1.014 394 N CA 1.274 54.319 53.050 -0.008 0.000 0.870 394 N CB -0.145 38.338 38.487 -0.007 0.000 0.975 394 N HN 0.498 nan 8.380 nan 0.000 0.433 395 G N -0.297 108.486 108.800 -0.029 0.000 2.877 395 G HA2 -0.199 3.750 3.960 -0.018 0.000 0.279 395 G HA3 -0.199 3.750 3.960 -0.018 0.000 0.279 395 G C -2.327 172.582 174.900 0.015 0.000 1.431 395 G CA -0.457 44.627 45.100 -0.027 0.000 0.883 395 G HN 0.113 nan 8.290 nan 0.000 0.547 396 P HA 0.185 nan 4.420 nan 0.000 0.269 396 P C 0.504 177.917 177.300 0.189 0.000 1.601 396 P CA 0.713 63.926 63.100 0.188 0.000 0.831 396 P CB -0.506 31.251 31.700 0.094 0.000 1.688 397 N N -1.300 117.493 118.700 0.156 0.000 2.496 397 N HA 0.008 4.737 4.740 -0.018 0.000 0.262 397 N C 0.131 175.700 175.510 0.099 0.000 0.981 397 N CA -0.351 52.753 53.050 0.091 0.000 0.903 397 N CB 0.218 38.727 38.487 0.035 0.000 1.737 397 N HN 0.035 nan 8.380 nan 0.000 0.715 398 E N 0.906 121.164 120.200 0.096 0.000 2.324 398 E HA -0.061 4.278 4.350 -0.018 0.000 0.271 398 E C 0.525 177.222 176.600 0.162 0.000 1.028 398 E CA -0.065 56.397 56.400 0.103 0.000 0.890 398 E CB 0.643 30.381 29.700 0.064 0.000 1.004 398 E HN 0.286 nan 8.360 nan 0.000 0.431 399 H N 5.027 124.146 119.070 0.081 0.000 2.319 399 H HA -0.028 4.516 4.556 -0.020 0.000 0.299 399 H C -1.342 174.104 175.328 0.196 0.000 1.092 399 H CA 1.278 57.387 56.048 0.102 0.000 1.302 399 H CB -0.630 29.159 29.762 0.044 0.000 1.373 399 H HN 0.431 nan 8.280 nan 0.000 0.497 400 P HA 0.176 nan 4.420 nan 0.000 0.238 400 P C -0.215 177.037 177.300 -0.079 0.000 1.714 400 P CA 0.536 63.522 63.100 -0.190 0.000 0.908 400 P CB 0.186 31.846 31.700 -0.067 0.000 1.893 401 G N -0.344 108.435 108.800 -0.034 0.000 3.217 401 G HA2 0.842 4.791 3.960 -0.018 0.000 0.213 401 G HA3 0.842 4.791 3.960 -0.018 0.000 0.213 401 G C -1.406 173.087 174.900 -0.679 0.000 1.294 401 G CA -0.619 44.367 45.100 -0.190 0.000 0.987 401 G HN 0.271 nan 8.290 nan 0.000 0.584 402 A N -1.040 121.349 122.820 -0.718 0.000 2.608 402 A HA 0.761 5.070 4.320 -0.018 0.000 0.292 402 A C -1.263 176.151 177.584 -0.284 0.000 1.066 402 A CA -0.661 51.031 52.037 -0.575 0.000 0.676 402 A CB 1.566 20.434 19.000 -0.221 0.000 1.277 402 A HN 0.474 nan 8.150 nan 0.000 0.413 403 K N 0.592 120.943 120.400 -0.083 0.000 2.324 403 K HA 0.633 4.942 4.320 -0.018 0.000 0.253 403 K C -1.798 174.888 176.600 0.143 0.000 0.932 403 K CA -0.490 55.794 56.287 -0.005 0.000 0.799 403 K CB 1.651 34.248 32.500 0.162 0.000 1.154 403 K HN 0.732 nan 8.250 nan 0.000 0.425 404 Y N -1.374 118.939 120.300 0.022 0.000 2.572 404 Y HA -0.254 4.288 4.550 -0.014 0.000 0.025 404 Y C -0.707 175.198 175.900 0.009 0.000 1.771 404 Y CA -0.345 57.764 58.100 0.016 0.000 1.373 404 Y CB -0.785 37.687 38.460 0.019 0.000 2.022 404 Y HN 0.265 nan 8.280 nan 0.000 0.264 405 V N 5.400 125.405 119.914 0.153 0.000 2.656 405 V HA 0.698 4.807 4.120 -0.018 0.000 0.307 405 V C -0.251 175.842 176.094 -0.002 0.000 1.051 405 V CA -0.841 61.518 62.300 0.100 0.000 0.893 405 V CB 1.925 33.831 31.823 0.139 0.000 0.999 405 V HN 0.466 nan 8.190 nan 0.000 0.426 406 I N 4.551 125.067 120.570 -0.090 0.000 2.474 406 I HA 0.596 4.755 4.170 -0.018 0.000 0.294 406 I C 0.367 176.114 176.117 -0.616 0.000 1.005 406 I CA -0.287 60.862 61.300 -0.251 0.000 1.113 406 I CB 1.719 39.623 38.000 -0.161 0.000 1.289 406 I HN 0.495 nan 8.210 nan 0.000 0.436 407 R N 2.996 123.016 120.500 -0.801 0.000 2.602 407 R HA 0.299 4.628 4.340 -0.018 0.000 0.237 407 R C 0.804 176.626 176.300 -0.798 0.000 1.219 407 R CA -0.600 54.659 56.100 -1.401 0.000 1.121 407 R CB 0.530 30.221 30.300 -1.016 0.000 1.408 407 R HN 0.744 nan 8.270 nan 0.000 0.559 408 D N -0.025 120.056 120.400 -0.532 0.000 2.144 408 D HA -0.148 4.481 4.640 -0.018 0.000 0.200 408 D C 1.094 177.328 176.300 -0.111 0.000 0.978 408 D CA 1.574 55.505 54.000 -0.115 0.000 0.833 408 D CB -0.257 40.630 40.800 0.145 0.000 0.961 408 D HN 0.432 nan 8.370 nan 0.000 0.470 409 S N -0.866 114.760 115.700 -0.124 0.000 2.561 409 S HA 0.319 4.778 4.470 -0.018 0.000 0.225 409 S C 1.811 176.351 174.600 -0.099 0.000 0.977 409 S CA 0.391 58.542 58.200 -0.082 0.000 0.926 409 S CB 0.041 63.210 63.200 -0.052 0.000 0.769 409 S HN 0.642 nan 8.310 nan 0.000 0.533 410 G N 1.195 109.906 108.800 -0.148 0.000 2.131 410 G HA2 -0.145 3.804 3.960 -0.018 0.000 0.201 410 G HA3 -0.145 3.804 3.960 -0.018 0.000 0.201 410 G C -0.792 174.035 174.900 -0.123 0.000 1.000 410 G CA -0.187 44.835 45.100 -0.129 0.000 0.680 410 G HN 0.493 nan 8.290 nan 0.000 0.514 411 D N -0.119 120.186 120.400 -0.159 0.000 2.210 411 D HA 0.529 5.158 4.640 -0.018 0.000 0.249 411 D C 0.630 176.850 176.300 -0.134 0.000 1.078 411 D CA -0.196 53.727 54.000 -0.129 0.000 0.875 411 D CB 1.235 41.958 40.800 -0.127 0.000 1.175 411 D HN 0.336 nan 8.370 nan 0.000 0.440 412 R N 1.548 122.007 120.500 -0.068 0.000 2.407 412 R HA 0.524 4.853 4.340 -0.018 0.000 0.303 412 R C -0.867 175.451 176.300 0.031 0.000 0.981 412 R CA -0.685 55.407 56.100 -0.014 0.000 0.905 412 R CB 0.700 31.007 30.300 0.012 0.000 1.099 412 R HN 0.274 nan 8.270 nan 0.000 0.459 413 I N 3.402 124.021 120.570 0.082 0.000 2.437 413 I HA 0.129 4.288 4.170 -0.018 0.000 0.279 413 I C -0.641 175.512 176.117 0.061 0.000 1.028 413 I CA -0.441 60.897 61.300 0.062 0.000 1.142 413 I CB 1.345 39.363 38.000 0.030 0.000 1.266 413 I HN 0.505 nan 8.210 nan 0.000 0.461 414 D N 5.150 125.542 120.400 -0.013 0.000 2.382 414 D HA 0.198 4.827 4.640 -0.018 0.000 0.245 414 D C 0.724 176.918 176.300 -0.178 0.000 1.120 414 D CA 0.308 54.146 54.000 -0.271 0.000 0.890 414 D CB 1.374 42.077 40.800 -0.162 0.000 1.201 414 D HN 0.418 nan 8.370 nan 0.000 0.433 415 L N 3.306 124.367 121.223 -0.270 0.000 2.575 415 L HA 0.108 4.437 4.340 -0.018 0.000 0.228 415 L C 2.362 179.182 176.870 -0.084 0.000 1.075 415 L CA -0.125 54.637 54.840 -0.131 0.000 0.867 415 L CB 0.081 42.062 42.059 -0.130 0.000 1.097 415 L HN 0.406 nan 8.230 nan 0.000 0.485 416 R N -0.630 119.820 120.500 -0.083 0.000 2.119 416 R HA -0.048 4.281 4.340 -0.018 0.000 0.222 416 R C 0.602 176.816 176.300 -0.144 0.000 1.088 416 R CA 0.699 56.742 56.100 -0.095 0.000 0.984 416 R CB -0.403 29.843 30.300 -0.091 0.000 0.884 416 R HN 0.135 nan 8.270 nan 0.000 0.447 417 Y N 1.466 121.710 120.300 -0.093 0.000 2.771 417 Y HA 0.280 4.826 4.550 -0.005 0.000 0.389 417 Y C 0.717 176.584 175.900 -0.055 0.000 1.289 417 Y CA -0.272 57.792 58.100 -0.061 0.000 1.485 417 Y CB 0.029 38.458 38.460 -0.051 0.000 1.596 417 Y HN 0.167 nan 8.280 nan 0.000 0.721 418 S N -0.135 115.660 115.700 0.158 0.000 3.217 418 S HA -0.187 4.272 4.470 -0.018 0.000 0.857 418 S C 0.076 174.701 174.600 0.042 0.000 1.078 418 S CA 0.301 58.544 58.200 0.072 0.000 1.169 418 S CB -0.443 62.783 63.200 0.044 0.000 0.822 418 S HN 0.791 nan 8.310 nan 0.000 0.256 419 K N 3.630 124.050 120.400 0.035 0.000 2.476 419 K HA 0.270 4.580 4.320 -0.018 0.000 0.196 419 K C 1.127 177.738 176.600 0.018 0.000 1.025 419 K CA 0.144 56.444 56.287 0.022 0.000 1.138 419 K CB 0.092 32.605 32.500 0.021 0.000 0.860 419 K HN 0.506 nan 8.250 nan 0.000 0.515 420 R N -0.045 120.467 120.500 0.021 0.000 2.600 420 R HA 0.251 4.580 4.340 -0.018 0.000 0.392 420 R C 0.869 177.180 176.300 0.018 0.000 1.032 420 R CA 0.215 56.328 56.100 0.021 0.000 1.139 420 R CB 0.882 31.201 30.300 0.031 0.000 1.400 420 R HN 0.271 nan 8.270 nan 0.000 0.566 421 A N 0.503 123.329 122.820 0.010 0.000 2.186 421 A HA -0.051 4.258 4.320 -0.018 0.000 0.219 421 A C 1.626 179.207 177.584 -0.004 0.000 1.159 421 A CA 1.553 53.590 52.037 0.000 0.000 0.680 421 A CB -0.198 18.795 19.000 -0.012 0.000 0.787 421 A HN 0.338 nan 8.150 nan 0.000 0.467 422 G N -0.752 108.046 108.800 -0.003 0.000 3.609 422 G HA2 0.401 4.350 3.960 -0.018 0.000 0.280 422 G HA3 0.401 4.350 3.960 -0.018 0.000 0.280 422 G C 0.233 175.129 174.900 -0.006 0.000 1.155 422 G CA 0.654 45.750 45.100 -0.007 0.000 0.876 422 G HN 0.646 nan 8.290 nan 0.000 0.535 423 D N -0.738 119.660 120.400 -0.002 0.000 2.168 423 D HA -0.028 4.601 4.640 -0.018 0.000 0.062 423 D C 0.323 176.621 176.300 -0.003 0.000 1.427 423 D CA -0.354 53.642 54.000 -0.007 0.000 1.116 423 D CB -0.156 40.640 40.800 -0.007 0.000 2.819 423 D HN 0.292 nan 8.370 nan 0.000 0.199 424 I N 1.778 122.352 120.570 0.007 0.000 8.714 424 I HA -0.203 3.956 4.170 -0.018 0.000 0.126 424 I C -0.521 175.576 176.117 -0.032 0.000 1.854 424 I CA 0.184 61.497 61.300 0.022 0.000 2.050 424 I CB -0.459 37.585 38.000 0.073 0.000 3.870 424 I HN 0.302 nan 8.210 nan 0.000 0.173 425 Q N 6.521 126.277 119.800 -0.074 0.000 2.313 425 Q HA 0.440 4.769 4.340 -0.018 0.000 0.266 425 Q C -0.275 175.530 176.000 -0.325 0.000 0.989 425 Q CA -0.086 55.613 55.803 -0.173 0.000 0.890 425 Q CB 1.265 29.898 28.738 -0.174 0.000 1.200 425 Q HN 0.448 nan 8.270 nan 0.000 0.396 426 L N 3.263 124.280 121.223 -0.344 0.000 2.255 426 L HA 0.183 4.512 4.340 -0.018 0.000 0.289 426 L C 0.394 176.859 176.870 -0.674 0.000 1.046 426 L CA -0.433 54.129 54.840 -0.463 0.000 0.816 426 L CB 0.998 42.903 42.059 -0.256 0.000 1.197 426 L HN 0.484 nan 8.230 nan 0.000 0.427 427 Q N 1.832 120.971 119.800 -1.101 0.000 2.316 427 Q HA 0.252 4.581 4.340 -0.018 0.000 0.215 427 Q C -1.256 174.370 176.000 -0.624 0.000 1.020 427 Q CA -0.056 55.194 55.803 -0.921 0.000 0.970 427 Q CB 0.746 28.804 28.738 -1.133 0.000 1.187 427 Q HN 0.282 nan 8.270 nan 0.000 0.546 428 Y N 0.259 120.408 120.300 -0.251 0.000 2.436 428 Y HA 0.383 4.923 4.550 -0.017 0.000 0.343 428 Y C 1.201 177.107 175.900 0.010 0.000 1.008 428 Y CA 0.944 58.983 58.100 -0.102 0.000 1.241 428 Y CB 0.867 39.278 38.460 -0.082 0.000 1.153 428 Y HN 0.772 nan 8.280 nan 0.000 0.521 429 G N 1.683 110.621 108.800 0.230 0.000 2.148 429 G HA2 -0.214 3.735 3.960 -0.018 0.000 0.157 429 G HA3 -0.214 3.735 3.960 -0.018 0.000 0.157 429 G C -0.929 174.205 174.900 0.390 0.000 1.012 429 G CA -0.995 44.265 45.100 0.266 0.000 0.677 429 G HN 0.460 nan 8.290 nan 0.000 0.506 430 W N 1.617 122.920 121.300 0.006 0.000 2.433 430 W HA 0.680 5.327 4.660 -0.020 0.000 0.315 430 W C 0.542 177.051 176.519 -0.015 0.000 1.087 430 W CA -1.412 55.927 57.345 -0.010 0.000 1.205 430 W CB 0.963 30.411 29.460 -0.021 0.000 1.288 430 W HN -0.038 nan 8.180 nan 0.000 0.504 431 K N 1.978 122.443 120.400 0.109 0.000 2.339 431 K HA 0.344 4.653 4.320 -0.018 0.000 0.286 431 K C -0.566 176.073 176.600 0.066 0.000 1.050 431 K CA -0.190 56.120 56.287 0.038 0.000 0.956 431 K CB 0.812 33.290 32.500 -0.037 0.000 0.990 431 K HN 0.176 nan 8.250 nan 0.000 0.475 432 V N 4.428 124.377 119.914 0.059 0.000 2.313 432 V HA 0.077 4.186 4.120 -0.018 0.000 0.262 432 V C -0.278 175.846 176.094 0.049 0.000 1.011 432 V CA -0.716 61.627 62.300 0.072 0.000 0.858 432 V CB 0.515 32.386 31.823 0.080 0.000 1.104 432 V HN 0.771 nan 8.190 nan 0.000 0.456 433 E N 3.759 123.996 120.200 0.063 0.000 2.608 433 E HA 0.174 4.513 4.350 -0.018 0.000 0.259 433 E C 0.325 176.983 176.600 0.096 0.000 0.951 433 E CA 0.390 56.842 56.400 0.086 0.000 0.945 433 E CB 0.537 30.323 29.700 0.145 0.000 0.916 433 E HN 0.755 nan 8.360 nan 0.000 0.477 434 R N 1.619 122.187 120.500 0.113 0.000 2.799 434 R HA 0.409 4.738 4.340 -0.018 0.000 0.270 434 R C -0.730 175.665 176.300 0.158 0.000 1.010 434 R CA -0.935 55.196 56.100 0.052 0.000 0.916 434 R CB 0.678 31.009 30.300 0.051 0.000 1.228 434 R HN 0.331 nan 8.270 nan 0.000 0.469 435 H N 0.739 119.862 119.070 0.088 0.000 2.757 435 H HA 0.234 4.778 4.556 -0.020 0.000 0.370 435 H C 0.177 175.553 175.328 0.080 0.000 1.172 435 H CA -0.439 55.655 56.048 0.076 0.000 1.426 435 H CB 0.468 30.227 29.762 -0.005 0.000 1.438 435 H HN 0.426 nan 8.280 nan 0.000 0.612 436 I N 3.277 123.995 120.570 0.247 0.000 2.436 436 I HA 0.002 4.162 4.170 -0.018 0.000 0.289 436 I C 0.959 177.162 176.117 0.143 0.000 1.083 436 I CA 0.158 61.564 61.300 0.177 0.000 1.372 436 I CB 0.080 38.182 38.000 0.171 0.000 1.408 436 I HN 0.247 nan 8.210 nan 0.000 0.516 437 M N 4.065 123.721 119.600 0.093 0.000 2.114 437 M HA 0.254 4.723 4.480 -0.018 0.000 0.280 437 M C -0.043 176.323 176.300 0.109 0.000 1.209 437 M CA -0.613 54.738 55.300 0.085 0.000 1.044 437 M CB 0.345 32.975 32.600 0.049 0.000 1.404 437 M HN 0.380 nan 8.290 nan 0.000 0.499 438 D N 0.938 121.405 120.400 0.111 0.000 2.362 438 D HA 0.132 4.761 4.640 -0.018 0.000 0.242 438 D C -0.454 175.875 176.300 0.049 0.000 1.132 438 D CA 0.415 54.465 54.000 0.083 0.000 0.907 438 D CB 0.222 41.070 40.800 0.079 0.000 1.195 438 D HN 0.540 nan 8.370 nan 0.000 0.429 439 N N 1.052 119.775 118.700 0.038 0.000 2.699 439 N HA -0.173 4.556 4.740 -0.018 0.000 0.257 439 N C -1.699 173.813 175.510 0.004 0.000 1.077 439 N CA 0.686 53.748 53.050 0.021 0.000 0.702 439 N CB -0.720 37.778 38.487 0.018 0.000 0.886 439 N HN 0.328 nan 8.380 nan 0.000 0.549 440 D N -0.539 119.863 120.400 0.002 0.000 2.619 440 D HA 0.449 5.078 4.640 -0.018 0.000 0.241 440 D C -2.560 173.726 176.300 -0.024 0.000 1.087 440 D CA -1.404 52.575 54.000 -0.035 0.000 0.851 440 D CB 1.350 42.126 40.800 -0.039 0.000 1.474 440 D HN -0.072 nan 8.370 nan 0.000 0.478 441 P HA 0.178 nan 4.420 nan 0.000 0.271 441 P C -0.995 176.309 177.300 0.007 0.000 1.233 441 P CA -0.358 62.728 63.100 -0.024 0.000 0.764 441 P CB 0.536 32.205 31.700 -0.052 0.000 0.825 442 V N 1.917 121.873 119.914 0.070 0.000 2.932 442 V HA 0.470 4.579 4.120 -0.018 0.000 0.307 442 V C -0.785 175.420 176.094 0.184 0.000 1.147 442 V CA -1.145 61.227 62.300 0.121 0.000 0.951 442 V CB 1.924 33.828 31.823 0.134 0.000 1.031 442 V HN 0.297 nan 8.190 nan 0.000 0.426 443 L N 3.956 125.299 121.223 0.200 0.000 2.349 443 L HA 0.639 4.968 4.340 -0.018 0.000 0.275 443 L C -1.122 175.942 176.870 0.322 0.000 1.115 443 L CA -0.451 54.525 54.840 0.227 0.000 0.820 443 L CB 1.255 43.386 42.059 0.120 0.000 1.135 443 L HN 0.845 nan 8.230 nan 0.000 0.445 444 F N 6.188 126.214 119.950 0.127 0.000 2.949 444 F HA 0.337 4.853 4.527 -0.019 0.000 0.376 444 F C -0.279 175.490 175.800 -0.052 0.000 1.205 444 F CA -0.835 57.140 58.000 -0.043 0.000 1.155 444 F CB 0.506 39.379 39.000 -0.212 0.000 1.495 444 F HN 0.542 nan 8.300 nan 0.000 0.551 445 N N 4.375 122.870 118.700 -0.342 0.000 2.671 445 N HA 0.582 5.312 4.740 -0.018 0.000 0.303 445 N C -1.415 173.831 175.510 -0.440 0.000 1.277 445 N CA -0.772 52.148 53.050 -0.218 0.000 0.933 445 N CB 2.280 40.760 38.487 -0.012 0.000 1.190 445 N HN 0.664 nan 8.380 nan 0.000 0.600 446 R N 0.442 120.839 120.500 -0.170 0.000 2.510 446 R HA 0.154 4.483 4.340 -0.018 0.000 0.287 446 R C -1.307 174.968 176.300 -0.042 0.000 1.084 446 R CA -0.403 55.597 56.100 -0.165 0.000 0.934 446 R CB 1.388 31.588 30.300 -0.167 0.000 1.201 446 R HN 0.652 nan 8.270 nan 0.000 0.431 447 Q N 3.712 123.483 119.800 -0.048 0.000 2.299 447 Q HA 0.345 4.674 4.340 -0.018 0.000 0.246 447 Q C -2.135 173.855 176.000 -0.016 0.000 0.935 447 Q CA -1.565 54.227 55.803 -0.019 0.000 0.887 447 Q CB 0.626 29.355 28.738 -0.015 0.000 1.223 447 Q HN 0.393 nan 8.270 nan 0.000 0.439 448 P HA 0.056 nan 4.420 nan 0.000 0.282 448 P C -0.950 176.350 177.300 -0.001 0.000 1.262 448 P CA -0.528 62.568 63.100 -0.007 0.000 0.773 448 P CB 0.941 32.634 31.700 -0.011 0.000 0.879 449 S N 2.812 118.514 115.700 0.002 0.000 3.530 449 S HA 0.202 4.661 4.470 -0.018 0.000 0.279 449 S C 0.599 175.193 174.600 -0.009 0.000 1.280 449 S CA -0.683 57.528 58.200 0.017 0.000 0.946 449 S CB -1.253 61.959 63.200 0.019 0.000 1.501 449 S HN 0.374 nan 8.310 nan 0.000 0.498 450 L N 0.615 121.808 121.223 -0.049 0.000 2.934 450 L HA 0.645 4.974 4.340 -0.018 0.000 0.233 450 L C 0.162 176.862 176.870 -0.284 0.000 1.358 450 L CA -0.270 54.479 54.840 -0.152 0.000 1.233 450 L CB -1.203 40.738 42.059 -0.196 0.000 1.594 450 L HN 0.622 nan 8.230 nan 0.000 0.439 451 H N -0.510 118.529 119.070 -0.052 0.000 3.075 451 H HA 0.272 4.817 4.556 -0.018 0.000 0.263 451 H C -0.029 175.256 175.328 -0.070 0.000 1.549 451 H CA -0.548 55.458 56.048 -0.069 0.000 1.192 451 H CB 0.953 30.672 29.762 -0.073 0.000 1.898 451 H HN 0.121 nan 8.280 nan 0.000 0.696 452 K N -0.384 120.082 120.400 0.110 0.000 2.391 452 K HA 0.200 4.509 4.320 -0.018 0.000 0.197 452 K C 1.192 177.757 176.600 -0.059 0.000 1.087 452 K CA 0.404 56.691 56.287 -0.001 0.000 1.012 452 K CB 0.485 32.960 32.500 -0.041 0.000 0.925 452 K HN 0.148 nan 8.250 nan 0.000 0.547 453 M N 1.597 121.098 119.600 -0.166 0.000 2.159 453 M HA 0.041 4.510 4.480 -0.018 0.000 0.263 453 M C 1.372 177.515 176.300 -0.262 0.000 1.063 453 M CA 1.312 56.401 55.300 -0.352 0.000 1.110 453 M CB -0.289 31.841 32.600 -0.785 0.000 1.374 453 M HN 0.068 nan 8.290 nan 0.000 0.411 454 S N -0.006 115.678 115.700 -0.027 0.000 2.954 454 S HA 0.181 4.640 4.470 -0.018 0.000 0.234 454 S C 0.230 174.956 174.600 0.209 0.000 0.978 454 S CA 0.376 58.654 58.200 0.130 0.000 1.045 454 S CB -0.478 62.840 63.200 0.196 0.000 0.807 454 S HN 0.299 nan 8.310 nan 0.000 0.508 455 M N 1.653 121.329 119.600 0.125 0.000 2.197 455 M HA 0.345 4.814 4.480 -0.018 0.000 0.226 455 M C -1.375 175.003 176.300 0.131 0.000 0.970 455 M CA 0.278 55.667 55.300 0.150 0.000 1.036 455 M CB 1.353 33.982 32.600 0.048 0.000 2.437 455 M HN 0.121 nan 8.290 nan 0.000 0.432 456 M N 1.545 121.316 119.600 0.285 0.000 2.465 456 M HA 0.689 5.158 4.480 -0.018 0.000 0.316 456 M C 0.048 176.500 176.300 0.254 0.000 1.121 456 M CA -0.663 54.749 55.300 0.187 0.000 0.934 456 M CB 2.520 35.189 32.600 0.115 0.000 1.692 456 M HN 0.632 nan 8.290 nan 0.000 0.444 457 A N 2.445 125.308 122.820 0.071 0.000 2.401 457 A HA 0.519 4.828 4.320 -0.018 0.000 0.259 457 A C -0.689 176.866 177.584 -0.047 0.000 1.103 457 A CA -0.052 52.026 52.037 0.068 0.000 0.789 457 A CB 0.236 19.241 19.000 0.009 0.000 1.035 457 A HN 0.886 nan 8.150 nan 0.000 0.491 458 H N 0.387 119.485 119.070 0.047 0.000 2.927 458 H HA 0.547 5.092 4.556 -0.018 0.000 0.316 458 H C -0.694 174.626 175.328 -0.013 0.000 1.403 458 H CA -0.733 55.319 56.048 0.005 0.000 1.288 458 H CB 1.695 31.426 29.762 -0.051 0.000 1.944 458 H HN 0.718 nan 8.280 nan 0.000 0.629 459 R N 1.181 121.756 120.500 0.126 0.000 2.439 459 R HA 0.364 4.693 4.340 -0.018 0.000 0.310 459 R C -1.427 174.902 176.300 0.049 0.000 0.955 459 R CA -0.638 55.497 56.100 0.059 0.000 0.853 459 R CB 1.191 31.513 30.300 0.037 0.000 1.171 459 R HN 0.228 nan 8.270 nan 0.000 0.449 460 V N 4.507 124.445 119.914 0.039 0.000 2.432 460 V HA 0.204 4.313 4.120 -0.018 0.000 0.271 460 V C -0.008 176.109 176.094 0.039 0.000 1.046 460 V CA -0.311 62.012 62.300 0.037 0.000 0.945 460 V CB 1.132 32.991 31.823 0.059 0.000 0.992 460 V HN 0.570 nan 8.190 nan 0.000 0.471 461 K N 4.785 125.198 120.400 0.022 0.000 2.464 461 K HA 0.456 4.765 4.320 -0.018 0.000 0.252 461 K C -0.918 175.683 176.600 0.002 0.000 1.000 461 K CA -0.382 55.917 56.287 0.019 0.000 0.951 461 K CB 1.239 33.746 32.500 0.011 0.000 1.183 461 K HN 0.460 nan 8.250 nan 0.000 0.445 462 V N 6.371 126.287 119.914 0.002 0.000 2.529 462 V HA 0.191 4.300 4.120 -0.018 0.000 0.292 462 V C 0.267 176.298 176.094 -0.106 0.000 1.028 462 V CA -0.020 62.236 62.300 -0.073 0.000 1.074 462 V CB -0.489 31.230 31.823 -0.172 0.000 0.958 462 V HN 0.673 nan 8.190 nan 0.000 0.481 463 I N 4.441 124.950 120.570 -0.101 0.000 2.865 463 I HA 0.767 4.926 4.170 -0.018 0.000 0.302 463 I C -2.692 173.394 176.117 -0.052 0.000 1.140 463 I CA -2.512 58.752 61.300 -0.061 0.000 1.021 463 I CB 2.047 40.032 38.000 -0.026 0.000 1.233 463 I HN 0.332 nan 8.210 nan 0.000 0.427 464 P HA 0.320 nan 4.420 nan 0.000 0.279 464 P C -1.362 176.053 177.300 0.192 0.000 1.282 464 P CA -0.057 63.054 63.100 0.018 0.000 0.788 464 P CB 0.219 31.925 31.700 0.010 0.000 1.139 465 Y N -2.453 117.794 120.300 -0.089 0.000 2.535 465 Y HA -0.207 4.334 4.550 -0.016 0.000 0.023 465 Y C 1.473 177.306 175.900 -0.112 0.000 1.731 465 Y CA 0.826 58.874 58.100 -0.086 0.000 1.399 465 Y CB -2.043 36.373 38.460 -0.073 0.000 2.046 465 Y HN 0.422 nan 8.280 nan 0.000 0.258 466 S N -1.070 114.645 115.700 0.025 0.000 2.660 466 S HA 0.108 4.567 4.470 -0.018 0.000 0.223 466 S C 0.525 175.061 174.600 -0.106 0.000 0.963 466 S CA 0.237 58.394 58.200 -0.072 0.000 0.932 466 S CB -0.462 62.696 63.200 -0.070 0.000 0.775 466 S HN 0.847 nan 8.310 nan 0.000 0.531 467 T N -0.063 114.463 114.554 -0.045 0.000 2.856 467 T HA 0.538 4.877 4.350 -0.018 0.000 0.292 467 T C -0.320 174.345 174.700 -0.058 0.000 0.980 467 T CA -0.806 61.273 62.100 -0.036 0.000 1.091 467 T CB 0.167 69.031 68.868 -0.006 0.000 0.936 467 T HN 0.187 nan 8.240 nan 0.000 0.503 468 F N 2.377 122.338 119.950 0.018 0.000 2.504 468 F HA 0.310 4.827 4.527 -0.017 0.000 0.369 468 F C 1.525 177.306 175.800 -0.031 0.000 1.082 468 F CA -0.489 57.520 58.000 0.015 0.000 1.216 468 F CB 0.690 39.774 39.000 0.140 0.000 1.108 468 F HN 0.360 nan 8.300 nan 0.000 0.554 469 R N 5.500 126.076 120.500 0.128 0.000 2.480 469 R HA 0.625 4.954 4.340 -0.018 0.000 0.306 469 R C -1.511 174.751 176.300 -0.062 0.000 0.958 469 R CA -1.029 55.059 56.100 -0.020 0.000 0.861 469 R CB 1.668 31.930 30.300 -0.063 0.000 1.171 469 R HN 0.488 nan 8.270 nan 0.000 0.445 470 L N -0.547 120.658 121.223 -0.030 0.000 2.371 470 L HA 0.535 4.864 4.340 -0.018 0.000 0.262 470 L C -0.239 176.678 176.870 0.078 0.000 1.006 470 L CA -1.064 53.781 54.840 0.008 0.000 0.818 470 L CB 1.232 43.333 42.059 0.070 0.000 1.354 470 L HN 0.371 nan 8.230 nan 0.000 0.415 471 N N 1.260 120.013 118.700 0.088 0.000 2.468 471 N HA 0.099 4.828 4.740 -0.018 0.000 0.265 471 N C 0.780 176.362 175.510 0.121 0.000 1.199 471 N CA 0.114 53.213 53.050 0.082 0.000 0.928 471 N CB 0.987 39.509 38.487 0.058 0.000 1.059 471 N HN 0.894 nan 8.380 nan 0.000 0.467 472 L N 2.597 123.894 121.223 0.124 0.000 2.351 472 L HA -0.171 4.158 4.340 -0.018 0.000 0.220 472 L C 1.846 178.773 176.870 0.094 0.000 1.127 472 L CA 0.942 55.881 54.840 0.166 0.000 0.786 472 L CB -0.091 42.055 42.059 0.144 0.000 0.914 472 L HN 0.526 nan 8.230 nan 0.000 0.443 473 S N -2.031 113.675 115.700 0.010 0.000 2.535 473 S HA 0.052 4.511 4.470 -0.018 0.000 0.214 473 S C 1.279 175.764 174.600 -0.191 0.000 0.980 473 S CA -0.035 58.096 58.200 -0.115 0.000 0.907 473 S CB 0.740 63.794 63.200 -0.244 0.000 0.790 473 S HN 0.164 nan 8.310 nan 0.000 0.510 474 V N 1.841 121.717 119.914 -0.063 0.000 3.499 474 V HA 0.082 4.191 4.120 -0.018 0.000 0.308 474 V C 1.910 178.078 176.094 0.124 0.000 1.319 474 V CA 0.842 63.144 62.300 0.003 0.000 1.194 474 V CB -0.293 31.619 31.823 0.149 0.000 1.072 474 V HN 0.457 nan 8.190 nan 0.000 0.426 475 T N -1.045 113.559 114.554 0.084 0.000 2.904 475 T HA -0.109 4.230 4.350 -0.018 0.000 0.267 475 T C 2.080 176.802 174.700 0.037 0.000 1.059 475 T CA 1.997 64.147 62.100 0.084 0.000 1.137 475 T CB 0.073 68.951 68.868 0.015 0.000 0.879 475 T HN 0.570 nan 8.240 nan 0.000 0.467 476 S N 1.488 117.181 115.700 -0.011 0.000 2.371 476 S HA 0.017 4.476 4.470 -0.018 0.000 0.224 476 S C -0.549 174.029 174.600 -0.038 0.000 1.029 476 S CA 1.132 59.316 58.200 -0.027 0.000 0.978 476 S CB -0.628 62.551 63.200 -0.034 0.000 0.833 476 S HN 0.586 nan 8.310 nan 0.000 0.466 477 P HA 0.110 nan 4.420 nan 0.000 0.245 477 P C 0.377 177.572 177.300 -0.175 0.000 1.203 477 P CA 0.663 63.644 63.100 -0.199 0.000 0.792 477 P CB -0.114 31.370 31.700 -0.361 0.000 0.997 478 Y N -0.480 119.820 120.300 0.001 0.000 2.490 478 Y HA 0.115 4.654 4.550 -0.018 0.000 0.285 478 Y C 0.710 176.607 175.900 -0.005 0.000 1.117 478 Y CA 0.010 58.113 58.100 0.005 0.000 1.262 478 Y CB -0.289 38.168 38.460 -0.006 0.000 1.043 478 Y HN -0.065 nan 8.280 nan 0.000 0.553 479 N N 0.644 119.417 118.700 0.122 0.000 2.610 479 N HA -0.174 4.555 4.740 -0.018 0.000 0.271 479 N C -1.264 174.254 175.510 0.014 0.000 1.146 479 N CA 0.605 53.681 53.050 0.045 0.000 0.711 479 N CB -0.924 37.583 38.487 0.033 0.000 0.883 479 N HN 0.381 nan 8.380 nan 0.000 0.548 480 A N 1.327 124.131 122.820 -0.027 0.000 2.414 480 A HA 0.707 5.016 4.320 -0.018 0.000 0.306 480 A C -0.512 176.897 177.584 -0.293 0.000 1.054 480 A CA -0.701 51.270 52.037 -0.110 0.000 0.724 480 A CB 1.270 20.227 19.000 -0.072 0.000 1.267 480 A HN 0.383 nan 8.150 nan 0.000 0.418 481 D N -0.205 120.010 120.400 -0.307 0.000 2.588 481 D HA 0.588 5.218 4.640 -0.018 0.000 0.268 481 D C -0.273 175.675 176.300 -0.585 0.000 1.176 481 D CA -0.089 53.635 54.000 -0.459 0.000 1.080 481 D CB 0.414 41.101 40.800 -0.187 0.000 1.186 481 D HN 0.418 nan 8.370 nan 0.000 0.619 482 F N -0.344 119.624 119.950 0.031 0.000 2.735 482 F HA 0.108 4.624 4.527 -0.018 0.000 0.308 482 F C 0.754 176.568 175.800 0.023 0.000 1.112 482 F CA -0.606 57.411 58.000 0.028 0.000 1.235 482 F CB 0.479 39.495 39.000 0.027 0.000 1.027 482 F HN 0.050 nan 8.300 nan 0.000 0.528 483 D N -0.221 120.247 120.400 0.114 0.000 2.346 483 D HA 0.204 4.833 4.640 -0.018 0.000 0.248 483 D C 1.649 177.991 176.300 0.071 0.000 1.173 483 D CA 0.629 54.677 54.000 0.079 0.000 0.878 483 D CB 0.005 40.829 40.800 0.040 0.000 0.919 483 D HN 0.356 nan 8.370 nan 0.000 0.513 484 G N -0.145 108.713 108.800 0.097 0.000 2.168 484 G HA2 -0.233 3.716 3.960 -0.018 0.000 0.197 484 G HA3 -0.233 3.716 3.960 -0.018 0.000 0.197 484 G C -0.423 174.515 174.900 0.064 0.000 0.997 484 G CA -0.376 44.771 45.100 0.078 0.000 0.658 484 G HN 0.400 nan 8.290 nan 0.000 0.513 485 D N 0.822 121.256 120.400 0.057 0.000 2.525 485 D HA 0.413 5.042 4.640 -0.018 0.000 0.235 485 D C 0.429 176.755 176.300 0.044 0.000 1.137 485 D CA 0.949 54.965 54.000 0.028 0.000 0.868 485 D CB 0.633 41.428 40.800 -0.008 0.000 1.180 485 D HN 0.407 nan 8.370 nan 0.000 0.465 486 E N 2.314 122.521 120.200 0.012 0.000 2.176 486 E HA 0.426 4.765 4.350 -0.018 0.000 0.267 486 E C -0.962 175.602 176.600 -0.061 0.000 0.893 486 E CA -0.620 55.788 56.400 0.014 0.000 0.761 486 E CB 0.983 30.694 29.700 0.018 0.000 1.133 486 E HN 0.378 nan 8.360 nan 0.000 0.409 487 M N 2.479 122.016 119.600 -0.105 0.000 2.777 487 M HA 0.469 4.938 4.480 -0.018 0.000 0.307 487 M C -0.613 175.460 176.300 -0.379 0.000 1.228 487 M CA -0.772 54.314 55.300 -0.357 0.000 0.871 487 M CB 1.847 34.041 32.600 -0.677 0.000 1.721 487 M HN 0.425 nan 8.290 nan 0.000 0.487 488 N N 1.330 119.708 118.700 -0.537 0.000 2.265 488 N HA 0.712 5.441 4.740 -0.018 0.000 0.300 488 N C -1.863 173.426 175.510 -0.369 0.000 1.148 488 N CA -0.619 52.229 53.050 -0.337 0.000 0.772 488 N CB 2.974 41.370 38.487 -0.152 0.000 1.434 488 N HN 0.513 nan 8.380 nan 0.000 0.481 489 L N 0.708 121.827 121.223 -0.174 0.000 2.455 489 L HA 0.481 4.810 4.340 -0.018 0.000 0.264 489 L C -1.215 175.636 176.870 -0.031 0.000 0.968 489 L CA -0.529 54.332 54.840 0.035 0.000 0.827 489 L CB 1.966 44.095 42.059 0.117 0.000 1.317 489 L HN 0.566 nan 8.230 nan 0.000 0.407 490 H N 3.184 122.324 119.070 0.116 0.000 2.771 490 H HA 0.693 5.239 4.556 -0.018 0.000 0.367 490 H C -1.306 174.103 175.328 0.135 0.000 1.172 490 H CA -0.911 55.213 56.048 0.127 0.000 1.186 490 H CB 2.648 32.465 29.762 0.092 0.000 1.790 490 H HN 0.353 nan 8.280 nan 0.000 0.556 491 V N 3.333 123.404 119.914 0.262 0.000 2.524 491 V HA 0.175 4.284 4.120 -0.018 0.000 0.297 491 V C -2.154 173.998 176.094 0.096 0.000 1.035 491 V CA -1.538 60.869 62.300 0.179 0.000 0.867 491 V CB 1.774 33.733 31.823 0.226 0.000 1.004 491 V HN 0.621 nan 8.190 nan 0.000 0.426 492 P HA 0.149 nan 4.420 nan 0.000 0.270 492 P C -0.443 176.918 177.300 0.102 0.000 1.227 492 P CA 0.108 63.235 63.100 0.045 0.000 0.788 492 P CB 1.112 32.832 31.700 0.034 0.000 0.926 493 Q N -1.168 118.669 119.800 0.063 0.000 2.313 493 Q HA 0.179 4.508 4.340 -0.018 0.000 0.263 493 Q C 0.287 176.312 176.000 0.041 0.000 0.820 493 Q CA 0.529 56.327 55.803 -0.009 0.000 0.974 493 Q CB 0.369 28.952 28.738 -0.257 0.000 1.156 493 Q HN 0.371 nan 8.270 nan 0.000 0.517 494 S N 1.145 116.903 115.700 0.095 0.000 2.593 494 S HA 0.228 4.687 4.470 -0.018 0.000 0.297 494 S C 0.921 175.627 174.600 0.176 0.000 1.112 494 S CA -0.524 57.731 58.200 0.093 0.000 1.043 494 S CB 2.009 65.229 63.200 0.033 0.000 1.054 494 S HN 0.022 nan 8.310 nan 0.000 0.516 495 E N 1.958 122.261 120.200 0.172 0.000 2.153 495 E HA -0.176 4.163 4.350 -0.018 0.000 0.194 495 E C 1.828 178.475 176.600 0.078 0.000 0.988 495 E CA 1.214 57.703 56.400 0.149 0.000 0.811 495 E CB -0.045 29.735 29.700 0.133 0.000 0.746 495 E HN 0.857 nan 8.360 nan 0.000 0.466 496 E N -0.653 119.584 120.200 0.062 0.000 2.208 496 E HA -0.074 4.265 4.350 -0.018 0.000 0.193 496 E C 1.689 178.307 176.600 0.030 0.000 0.988 496 E CA 1.252 57.676 56.400 0.041 0.000 0.828 496 E CB -0.250 29.471 29.700 0.035 0.000 0.763 496 E HN -0.013 nan 8.360 nan 0.000 0.478 497 T N 0.759 115.334 114.554 0.035 0.000 2.896 497 T HA -0.011 4.328 4.350 -0.018 0.000 0.263 497 T C 1.805 176.515 174.700 0.017 0.000 1.050 497 T CA 0.760 62.874 62.100 0.022 0.000 1.140 497 T CB -0.084 68.800 68.868 0.027 0.000 0.877 497 T HN 0.145 nan 8.240 nan 0.000 0.457 498 R N 1.202 121.715 120.500 0.021 0.000 2.097 498 R HA -0.076 4.253 4.340 -0.018 0.000 0.236 498 R C 2.893 179.189 176.300 -0.006 0.000 1.135 498 R CA 1.535 57.628 56.100 -0.012 0.000 0.934 498 R CB -0.756 29.519 30.300 -0.042 0.000 0.846 498 R HN 0.380 nan 8.270 nan 0.000 0.431 499 A N 1.007 123.830 122.820 0.006 0.000 1.958 499 A HA -0.279 4.030 4.320 -0.018 0.000 0.221 499 A C 1.987 179.571 177.584 0.001 0.000 1.178 499 A CA 1.951 53.991 52.037 0.006 0.000 0.642 499 A CB -0.521 18.489 19.000 0.018 0.000 0.816 499 A HN 0.459 nan 8.150 nan 0.000 0.453 500 E N -1.096 119.105 120.200 0.001 0.000 2.208 500 E HA -0.081 4.258 4.350 -0.018 0.000 0.193 500 E C 1.779 178.371 176.600 -0.014 0.000 0.988 500 E CA 0.421 56.817 56.400 -0.007 0.000 0.828 500 E CB -0.012 29.683 29.700 -0.008 0.000 0.763 500 E HN 0.452 nan 8.360 nan 0.000 0.478 501 L N 0.327 121.544 121.223 -0.010 0.000 2.049 501 L HA -0.069 4.260 4.340 -0.018 0.000 0.203 501 L C 2.444 179.304 176.870 -0.017 0.000 1.074 501 L CA 1.809 56.644 54.840 -0.009 0.000 0.749 501 L CB -1.185 40.877 42.059 0.005 0.000 0.907 501 L HN 0.197 nan 8.230 nan 0.000 0.439 502 S N -1.673 114.016 115.700 -0.017 0.000 2.561 502 S HA -0.083 4.376 4.470 -0.018 0.000 0.225 502 S C 1.618 176.202 174.600 -0.026 0.000 0.977 502 S CA 0.333 58.520 58.200 -0.023 0.000 0.926 502 S CB 0.126 63.313 63.200 -0.021 0.000 0.769 502 S HN 0.322 nan 8.310 nan 0.000 0.533 503 Q N -0.037 119.748 119.800 -0.025 0.000 2.396 503 Q HA 0.419 4.748 4.340 -0.018 0.000 0.220 503 Q C 1.139 177.114 176.000 -0.041 0.000 0.900 503 Q CA 0.612 56.399 55.803 -0.028 0.000 0.925 503 Q CB 0.043 28.770 28.738 -0.018 0.000 1.065 503 Q HN 0.490 nan 8.270 nan 0.000 0.535 504 L N -2.387 118.810 121.223 -0.044 0.000 2.854 504 L HA 0.145 4.475 4.340 -0.018 0.000 0.249 504 L C 1.315 178.150 176.870 -0.059 0.000 1.091 504 L CA 0.559 55.364 54.840 -0.057 0.000 0.935 504 L CB 0.067 42.092 42.059 -0.057 0.000 1.367 504 L HN 0.032 nan 8.230 nan 0.000 0.524 505 C N -0.108 119.163 119.300 -0.049 0.000 3.228 505 C HA 0.625 5.074 4.460 -0.018 0.000 0.290 505 C C 1.368 176.322 174.990 -0.060 0.000 1.301 505 C CA -0.837 58.153 59.018 -0.047 0.000 1.703 505 C CB -0.548 27.178 27.740 -0.023 0.000 2.141 505 C HN 0.321 nan 8.230 nan 0.000 0.656 506 A N 1.266 124.046 122.820 -0.067 0.000 2.520 506 A HA 0.361 4.670 4.320 -0.018 0.000 0.245 506 A C 1.430 178.935 177.584 -0.131 0.000 1.072 506 A CA 0.239 52.218 52.037 -0.097 0.000 0.761 506 A CB 0.289 19.244 19.000 -0.074 0.000 1.004 506 A HN 0.259 nan 8.150 nan 0.000 0.499 507 V N 4.091 123.877 119.914 -0.213 0.000 2.313 507 V HA -0.245 3.864 4.120 -0.018 0.000 0.253 507 V C -0.295 175.714 176.094 -0.141 0.000 1.070 507 V CA 2.846 65.013 62.300 -0.221 0.000 1.057 507 V CB -1.667 29.957 31.823 -0.332 0.000 0.653 507 V HN 0.814 nan 8.190 nan 0.000 0.450 508 P HA -0.148 nan 4.420 nan 0.000 0.215 508 P C 1.935 179.206 177.300 -0.048 0.000 1.157 508 P CA 1.394 64.462 63.100 -0.053 0.000 0.868 508 P CB -0.102 31.577 31.700 -0.035 0.000 0.788 509 L N -1.089 120.100 121.223 -0.056 0.000 2.191 509 L HA -0.151 4.178 4.340 -0.018 0.000 0.212 509 L C 2.034 178.870 176.870 -0.057 0.000 1.103 509 L CA 1.332 56.144 54.840 -0.047 0.000 0.769 509 L CB -0.641 41.388 42.059 -0.051 0.000 0.908 509 L HN -0.028 nan 8.230 nan 0.000 0.438 510 Q N -0.610 119.139 119.800 -0.085 0.000 2.247 510 Q HA 0.162 4.491 4.340 -0.018 0.000 0.205 510 Q C 1.853 177.786 176.000 -0.112 0.000 0.896 510 Q CA 0.213 55.952 55.803 -0.106 0.000 0.950 510 Q CB 0.453 29.107 28.738 -0.140 0.000 1.054 510 Q HN 0.566 nan 8.270 nan 0.000 0.482 511 I N -0.632 119.890 120.570 -0.079 0.000 2.090 511 I HA -0.159 4.000 4.170 -0.018 0.000 0.236 511 I C 1.155 177.229 176.117 -0.072 0.000 1.064 511 I CA 0.797 62.061 61.300 -0.061 0.000 1.324 511 I CB -0.016 37.988 38.000 0.007 0.000 1.044 511 I HN -0.050 nan 8.210 nan 0.000 0.399 512 V N 1.623 121.492 119.914 -0.076 0.000 2.488 512 V HA 0.077 4.186 4.120 -0.018 0.000 0.277 512 V C 0.504 176.556 176.094 -0.069 0.000 1.046 512 V CA -0.303 61.928 62.300 -0.115 0.000 0.986 512 V CB 1.128 32.836 31.823 -0.192 0.000 0.989 512 V HN 0.353 nan 8.190 nan 0.000 0.475 513 S N 9.353 125.019 115.700 -0.057 0.000 2.443 513 S HA 0.321 4.780 4.470 -0.018 0.000 0.284 513 S C -1.671 172.940 174.600 0.018 0.000 1.206 513 S CA -0.922 57.258 58.200 -0.033 0.000 1.074 513 S CB 0.870 64.060 63.200 -0.016 0.000 0.963 513 S HN 0.796 nan 8.310 nan 0.000 0.501 514 P HA 0.125 nan 4.420 nan 0.000 0.246 514 P C -0.022 177.358 177.300 0.133 0.000 1.686 514 P CA 0.300 63.426 63.100 0.043 0.000 0.867 514 P CB -0.018 31.675 31.700 -0.011 0.000 1.733 515 Q N -1.075 118.817 119.800 0.153 0.000 2.451 515 Q HA 0.135 4.464 4.340 -0.018 0.000 0.216 515 Q C 0.585 176.705 176.000 0.200 0.000 0.746 515 Q CA 0.188 56.112 55.803 0.202 0.000 0.940 515 Q CB 0.372 29.143 28.738 0.055 0.000 1.311 515 Q HN -0.004 nan 8.270 nan 0.000 0.481 516 S N 1.702 117.497 115.700 0.158 0.000 2.846 516 S HA 0.077 4.536 4.470 -0.018 0.000 0.249 516 S C -0.197 174.564 174.600 0.270 0.000 1.028 516 S CA 0.270 58.593 58.200 0.206 0.000 1.043 516 S CB 0.341 63.650 63.200 0.181 0.000 0.990 516 S HN 0.618 nan 8.310 nan 0.000 0.564 517 N N 2.351 121.178 118.700 0.213 0.000 2.677 517 N HA -0.293 4.436 4.740 -0.018 0.000 0.249 517 N C -0.438 175.202 175.510 0.216 0.000 1.073 517 N CA 1.546 54.726 53.050 0.215 0.000 0.737 517 N CB -1.847 36.800 38.487 0.267 0.000 0.999 517 N HN 0.679 nan 8.380 nan 0.000 0.543 518 K N -2.728 117.752 120.400 0.133 0.000 2.501 518 K HA 0.531 4.840 4.320 -0.018 0.000 0.252 518 K C -3.247 173.351 176.600 -0.003 0.000 0.934 518 K CA -2.214 54.128 56.287 0.092 0.000 0.797 518 K CB 2.552 35.136 32.500 0.140 0.000 1.270 518 K HN -0.174 nan 8.250 nan 0.000 0.431 519 P HA -0.065 nan 4.420 nan 0.000 0.263 519 P C 0.885 178.180 177.300 -0.009 0.000 1.195 519 P CA -0.319 62.745 63.100 -0.060 0.000 0.762 519 P CB 0.421 32.097 31.700 -0.039 0.000 0.799 520 C N 2.615 121.891 119.300 -0.040 0.000 2.464 520 C HA 0.181 4.630 4.460 -0.018 0.000 0.278 520 C C 1.230 176.191 174.990 -0.048 0.000 1.375 520 C CA -0.117 58.869 59.018 -0.053 0.000 1.761 520 C CB -1.143 26.524 27.740 -0.120 0.000 1.944 520 C HN 0.414 nan 8.230 nan 0.000 0.509 521 M N 1.855 121.425 119.600 -0.049 0.000 2.209 521 M HA 0.598 5.067 4.480 -0.018 0.000 0.355 521 M C 0.352 176.716 176.300 0.108 0.000 1.171 521 M CA 0.516 55.759 55.300 -0.096 0.000 1.069 521 M CB 1.355 33.767 32.600 -0.312 0.000 1.622 521 M HN 0.460 nan 8.290 nan 0.000 0.459 522 G N 2.074 110.947 108.800 0.122 0.000 2.949 522 G HA2 0.730 4.679 3.960 -0.018 0.000 0.285 522 G HA3 0.730 4.679 3.960 -0.018 0.000 0.285 522 G C -1.444 173.647 174.900 0.318 0.000 1.395 522 G CA -0.798 44.492 45.100 0.317 0.000 0.901 522 G HN 0.535 nan 8.290 nan 0.000 0.519 523 I N 0.910 121.644 120.570 0.274 0.000 2.363 523 I HA 0.323 4.482 4.170 -0.018 0.000 0.292 523 I C 0.015 176.195 176.117 0.105 0.000 1.075 523 I CA 0.152 61.566 61.300 0.189 0.000 1.333 523 I CB 1.088 39.158 38.000 0.117 0.000 1.415 523 I HN 0.088 nan 8.210 nan 0.000 0.502 524 V N 6.357 126.326 119.914 0.093 0.000 2.769 524 V HA 0.542 4.651 4.120 -0.018 0.000 0.312 524 V C 0.254 176.391 176.094 0.072 0.000 1.061 524 V CA -0.678 61.663 62.300 0.068 0.000 0.931 524 V CB 1.427 33.283 31.823 0.055 0.000 1.010 524 V HN 0.890 nan 8.190 nan 0.000 0.433 525 Q N 0.907 120.748 119.800 0.067 0.000 1.308 525 Q HA -0.309 4.020 4.340 -0.018 0.000 0.337 525 Q C 0.914 176.964 176.000 0.083 0.000 0.978 525 Q CA 1.311 57.163 55.803 0.081 0.000 0.716 525 Q CB -0.958 27.834 28.738 0.090 0.000 4.272 525 Q HN 0.907 nan 8.270 nan 0.000 0.541 526 D N -0.095 120.363 120.400 0.097 0.000 2.339 526 D HA -0.201 4.428 4.640 -0.018 0.000 0.189 526 D C 1.844 178.185 176.300 0.069 0.000 1.022 526 D CA 2.660 56.717 54.000 0.095 0.000 0.884 526 D CB -0.493 40.357 40.800 0.084 0.000 0.916 526 D HN 0.516 nan 8.370 nan 0.000 0.453 527 T N 0.123 114.713 114.554 0.059 0.000 2.674 527 T HA -0.147 4.192 4.350 -0.018 0.000 0.265 527 T C 1.912 176.626 174.700 0.022 0.000 1.039 527 T CA 1.162 63.288 62.100 0.043 0.000 1.150 527 T CB -0.429 68.471 68.868 0.054 0.000 0.864 527 T HN 0.127 nan 8.240 nan 0.000 0.427 528 L N 0.623 121.863 121.223 0.028 0.000 2.217 528 L HA 0.149 4.478 4.340 -0.018 0.000 0.211 528 L C 2.353 179.212 176.870 -0.018 0.000 1.107 528 L CA 1.233 56.078 54.840 0.007 0.000 0.783 528 L CB -0.748 41.327 42.059 0.025 0.000 0.919 528 L HN 0.398 nan 8.230 nan 0.000 0.442 529 C N -0.470 118.823 119.300 -0.011 0.000 2.594 529 C HA 0.354 4.803 4.460 -0.018 0.000 0.265 529 C C 2.313 177.230 174.990 -0.121 0.000 1.351 529 C CA 0.329 59.308 59.018 -0.065 0.000 1.744 529 C CB -1.568 26.154 27.740 -0.029 0.000 1.890 529 C HN 0.697 nan 8.230 nan 0.000 0.551 530 G N -0.270 108.499 108.800 -0.053 0.000 2.743 530 G HA2 0.078 4.027 3.960 -0.018 0.000 0.206 530 G HA3 0.078 4.027 3.960 -0.018 0.000 0.206 530 G C 1.238 176.063 174.900 -0.125 0.000 1.115 530 G CA 0.424 45.512 45.100 -0.021 0.000 0.782 530 G HN 0.450 nan 8.290 nan 0.000 0.524 531 I N 0.626 121.131 120.570 -0.107 0.000 2.454 531 I HA -0.003 4.156 4.170 -0.018 0.000 0.254 531 I C 2.535 178.542 176.117 -0.183 0.000 1.156 531 I CA 1.050 62.262 61.300 -0.147 0.000 1.433 531 I CB 0.076 38.018 38.000 -0.096 0.000 1.082 531 I HN 0.115 nan 8.210 nan 0.000 0.432 532 R N 0.264 120.668 120.500 -0.160 0.000 2.055 532 R HA -0.107 4.222 4.340 -0.018 0.000 0.226 532 R C 2.229 178.402 176.300 -0.211 0.000 1.135 532 R CA 0.886 56.891 56.100 -0.159 0.000 0.959 532 R CB -0.085 30.144 30.300 -0.118 0.000 0.854 532 R HN 0.148 nan 8.270 nan 0.000 0.431 533 K N 1.130 121.393 120.400 -0.228 0.000 2.020 533 K HA -0.216 4.093 4.320 -0.018 0.000 0.212 533 K C 2.180 178.463 176.600 -0.529 0.000 1.050 533 K CA 1.265 57.404 56.287 -0.247 0.000 0.929 533 K CB -0.842 31.633 32.500 -0.042 0.000 0.714 533 K HN 0.181 nan 8.250 nan 0.000 0.443 534 L N 1.442 122.132 121.223 -0.889 0.000 2.011 534 L HA -0.284 4.045 4.340 -0.018 0.000 0.225 534 L C 2.201 178.739 176.870 -0.554 0.000 1.084 534 L CA 2.269 56.472 54.840 -1.061 0.000 0.791 534 L CB -0.917 40.673 42.059 -0.782 0.000 0.898 534 L HN 0.205 nan 8.230 nan 0.000 0.440 535 T N -0.031 114.304 114.554 -0.364 0.000 2.951 535 T HA 0.023 4.362 4.350 -0.018 0.000 0.268 535 T C 0.908 175.494 174.700 -0.191 0.000 1.073 535 T CA -0.023 61.937 62.100 -0.233 0.000 1.134 535 T CB -0.377 68.383 68.868 -0.179 0.000 0.884 535 T HN 0.132 nan 8.240 nan 0.000 0.479 536 L N 2.460 123.566 121.223 -0.196 0.000 2.720 536 L HA -0.094 4.235 4.340 -0.018 0.000 0.289 536 L C 1.883 178.638 176.870 -0.192 0.000 1.232 536 L CA 0.007 54.752 54.840 -0.158 0.000 0.915 536 L CB 0.329 42.303 42.059 -0.141 0.000 1.184 536 L HN 0.195 nan 8.230 nan 0.000 0.491 537 R N 1.864 122.275 120.500 -0.148 0.000 2.140 537 R HA -0.256 4.073 4.340 -0.018 0.000 0.250 537 R C 1.594 177.670 176.300 -0.374 0.000 1.150 537 R CA 2.090 58.084 56.100 -0.177 0.000 0.966 537 R CB -0.344 29.908 30.300 -0.079 0.000 0.869 537 R HN 0.761 nan 8.270 nan 0.000 0.445 538 D N 0.263 120.489 120.400 -0.291 0.000 2.228 538 D HA -0.094 4.535 4.640 -0.018 0.000 0.203 538 D C -0.161 175.850 176.300 -0.481 0.000 0.988 538 D CA 0.918 54.733 54.000 -0.308 0.000 0.864 538 D CB 0.160 40.877 40.800 -0.138 0.000 0.928 538 D HN 0.116 nan 8.370 nan 0.000 0.469 539 T N 0.369 114.642 114.554 -0.467 0.000 2.744 539 T HA 0.382 4.721 4.350 -0.018 0.000 0.291 539 T C -0.362 174.106 174.700 -0.387 0.000 0.957 539 T CA -0.286 61.639 62.100 -0.292 0.000 1.002 539 T CB 0.607 69.394 68.868 -0.134 0.000 0.919 539 T HN -0.130 nan 8.240 nan 0.000 0.468 540 F N 2.603 122.633 119.950 0.133 0.000 2.598 540 F HA 0.751 5.267 4.527 -0.018 0.000 0.327 540 F C 0.011 175.939 175.800 0.212 0.000 1.057 540 F CA -1.359 56.732 58.000 0.153 0.000 0.957 540 F CB 1.624 40.705 39.000 0.135 0.000 1.278 540 F HN 0.333 nan 8.300 nan 0.000 0.484 541 I N -0.147 120.701 120.570 0.465 0.000 2.865 541 I HA 0.495 4.654 4.170 -0.018 0.000 0.302 541 I C -1.342 174.964 176.117 0.315 0.000 1.140 541 I CA -0.915 60.590 61.300 0.343 0.000 1.021 541 I CB 2.424 40.605 38.000 0.302 0.000 1.233 541 I HN 0.611 nan 8.210 nan 0.000 0.427 542 E N 3.247 123.572 120.200 0.207 0.000 2.336 542 E HA 0.455 4.794 4.350 -0.018 0.000 0.267 542 E C 0.158 176.771 176.600 0.022 0.000 0.906 542 E CA -0.942 55.579 56.400 0.202 0.000 0.781 542 E CB 2.234 32.052 29.700 0.197 0.000 1.261 542 E HN 0.452 nan 8.360 nan 0.000 0.436 543 L N 1.958 123.177 121.223 -0.005 0.000 2.320 543 L HA -0.448 3.881 4.340 -0.018 0.000 0.243 543 L C 1.784 178.585 176.870 -0.115 0.000 1.131 543 L CA 3.229 57.999 54.840 -0.115 0.000 0.843 543 L CB -1.106 40.981 42.059 0.047 0.000 0.976 543 L HN 1.012 nan 8.230 nan 0.000 0.437 544 D N -2.499 117.886 120.400 -0.024 0.000 2.170 544 D HA -0.282 4.347 4.640 -0.018 0.000 0.193 544 D C 1.882 178.180 176.300 -0.004 0.000 1.004 544 D CA 2.140 56.138 54.000 -0.003 0.000 0.860 544 D CB -0.435 40.386 40.800 0.033 0.000 0.931 544 D HN 0.677 nan 8.370 nan 0.000 0.448 545 Q N -0.239 119.559 119.800 -0.003 0.000 2.165 545 Q HA 0.031 4.360 4.340 -0.018 0.000 0.197 545 Q C 2.508 178.474 176.000 -0.057 0.000 0.952 545 Q CA 0.518 56.343 55.803 0.036 0.000 0.848 545 Q CB 0.207 28.987 28.738 0.070 0.000 0.931 545 Q HN 0.220 nan 8.270 nan 0.000 0.470 546 V N 1.650 121.450 119.914 -0.191 0.000 2.255 546 V HA -0.295 3.814 4.120 -0.018 0.000 0.247 546 V C 2.253 178.103 176.094 -0.408 0.000 1.051 546 V CA 1.632 63.685 62.300 -0.411 0.000 1.018 546 V CB -0.606 30.668 31.823 -0.915 0.000 0.641 546 V HN 0.395 nan 8.190 nan 0.000 0.445 547 L N 0.092 121.109 121.223 -0.343 0.000 2.127 547 L HA -0.198 4.131 4.340 -0.018 0.000 0.211 547 L C 2.444 179.161 176.870 -0.254 0.000 1.089 547 L CA 1.559 56.235 54.840 -0.274 0.000 0.757 547 L CB -0.876 41.083 42.059 -0.167 0.000 0.899 547 L HN 0.433 nan 8.230 nan 0.000 0.434 548 N N 0.149 118.730 118.700 -0.198 0.000 2.135 548 N HA -0.102 4.627 4.740 -0.018 0.000 0.186 548 N C 1.948 177.259 175.510 -0.333 0.000 1.027 548 N CA 1.242 54.161 53.050 -0.217 0.000 0.849 548 N CB -0.158 38.246 38.487 -0.139 0.000 1.002 548 N HN 0.292 nan 8.380 nan 0.000 0.425 549 M N 0.271 119.663 119.600 -0.346 0.000 2.149 549 M HA -0.129 4.340 4.480 -0.018 0.000 0.261 549 M C 1.654 177.773 176.300 -0.303 0.000 1.064 549 M CA 0.973 56.091 55.300 -0.303 0.000 1.102 549 M CB -0.192 32.306 32.600 -0.170 0.000 1.369 549 M HN 0.069 nan 8.290 nan 0.000 0.408 550 L N -0.766 120.170 121.223 -0.478 0.000 1.990 550 L HA -0.248 4.081 4.340 -0.018 0.000 0.213 550 L C 2.391 178.831 176.870 -0.718 0.000 1.072 550 L CA 2.049 56.362 54.840 -0.878 0.000 0.755 550 L CB -1.726 39.525 42.059 -1.347 0.000 0.889 550 L HN 0.330 nan 8.230 nan 0.000 0.432 551 Y N -1.832 118.094 120.300 -0.623 0.000 2.680 551 Y HA -0.204 4.335 4.550 -0.018 0.000 0.303 551 Y C 1.949 177.637 175.900 -0.353 0.000 1.166 551 Y CA 0.135 57.989 58.100 -0.411 0.000 1.344 551 Y CB -0.511 37.736 38.460 -0.355 0.000 1.002 551 Y HN 0.111 nan 8.280 nan 0.000 0.537 552 W N -1.070 119.968 121.300 -0.438 0.000 2.630 552 W HA 0.159 4.808 4.660 -0.019 0.000 0.271 552 W C 0.402 176.754 176.519 -0.278 0.000 1.244 552 W CA 0.397 57.495 57.345 -0.413 0.000 1.353 552 W CB 0.150 29.358 29.460 -0.421 0.000 1.080 552 W HN -0.407 nan 8.180 nan 0.000 0.594 553 V N 4.096 124.027 119.914 0.028 0.000 2.455 553 V HA -0.004 4.106 4.120 -0.018 0.000 0.273 553 V C -0.909 175.230 176.094 0.075 0.000 1.045 553 V CA -0.779 61.554 62.300 0.055 0.000 0.976 553 V CB 0.936 32.786 31.823 0.044 0.000 0.993 553 V HN -0.059 nan 8.190 nan 0.000 0.475 554 P HA -0.019 nan 4.420 nan 0.000 0.222 554 P C 0.220 177.582 177.300 0.104 0.000 1.153 554 P CA 0.620 63.751 63.100 0.052 0.000 0.798 554 P CB 0.277 31.996 31.700 0.031 0.000 0.796 555 D N -0.651 119.819 120.400 0.117 0.000 3.168 555 D HA 0.113 4.742 4.640 -0.018 0.000 0.255 555 D C -0.679 175.732 176.300 0.186 0.000 1.314 555 D CA -0.273 53.795 54.000 0.114 0.000 0.900 555 D CB -0.817 40.028 40.800 0.074 0.000 1.072 555 D HN 0.150 nan 8.370 nan 0.000 0.487 556 W N 2.526 123.837 121.300 0.017 0.000 2.361 556 W HA 0.189 4.838 4.660 -0.018 0.000 0.309 556 W C 0.653 177.187 176.519 0.025 0.000 1.122 556 W CA -1.418 55.941 57.345 0.024 0.000 1.208 556 W CB 0.896 30.380 29.460 0.039 0.000 1.246 556 W HN 0.077 nan 8.180 nan 0.000 0.490 557 D N 3.046 123.164 120.400 -0.470 0.000 2.378 557 D HA 0.012 4.641 4.640 -0.018 0.000 0.227 557 D C 1.604 177.454 176.300 -0.750 0.000 1.012 557 D CA 0.743 54.464 54.000 -0.466 0.000 0.905 557 D CB -0.486 40.144 40.800 -0.283 0.000 0.895 557 D HN 0.800 nan 8.370 nan 0.000 0.532 558 G N -0.483 107.382 108.800 -1.560 0.000 2.153 558 G HA2 -0.253 3.696 3.960 -0.018 0.000 0.252 558 G HA3 -0.253 3.696 3.960 -0.018 0.000 0.252 558 G C 0.053 174.325 174.900 -1.046 0.000 0.994 558 G CA 0.258 44.447 45.100 -1.518 0.000 0.698 558 G HN 0.405 nan 8.290 nan 0.000 0.521 559 V N 3.468 122.842 119.914 -0.899 0.000 2.294 559 V HA 0.364 4.473 4.120 -0.018 0.000 0.272 559 V C 0.982 177.183 176.094 0.178 0.000 1.027 559 V CA -1.192 60.969 62.300 -0.232 0.000 0.823 559 V CB 0.984 32.719 31.823 -0.146 0.000 1.030 559 V HN 0.319 nan 8.190 nan 0.000 0.457 560 I N 7.116 127.883 120.570 0.329 0.000 2.752 560 I HA 0.189 4.348 4.170 -0.018 0.000 0.287 560 I C -1.797 174.532 176.117 0.354 0.000 1.188 560 I CA -1.255 60.319 61.300 0.458 0.000 1.427 560 I CB 0.102 38.318 38.000 0.359 0.000 1.365 560 I HN 0.383 nan 8.210 nan 0.000 0.585 561 P HA 0.256 nan 4.420 nan 0.000 0.290 561 P C -0.698 176.834 177.300 0.386 0.000 1.275 561 P CA -0.468 62.842 63.100 0.349 0.000 0.841 561 P CB 0.782 32.691 31.700 0.349 0.000 1.042 562 T N 4.446 119.094 114.554 0.156 0.000 2.779 562 T HA 0.233 4.573 4.350 -0.018 0.000 0.296 562 T C -2.011 172.526 174.700 -0.272 0.000 0.938 562 T CA -0.888 61.204 62.100 -0.015 0.000 1.119 562 T CB -0.451 68.401 68.868 -0.027 0.000 0.891 562 T HN 0.379 nan 8.240 nan 0.000 0.526 563 P HA 0.083 nan 4.420 nan 0.000 0.264 563 P C 0.485 177.417 177.300 -0.615 0.000 1.183 563 P CA -0.152 62.129 63.100 -1.364 0.000 0.763 563 P CB 0.559 31.156 31.700 -1.838 0.000 0.807 564 A N 3.873 126.434 122.820 -0.432 0.000 2.172 564 A HA -0.002 4.307 4.320 -0.018 0.000 0.216 564 A C 1.097 178.541 177.584 -0.233 0.000 1.154 564 A CA 0.962 52.870 52.037 -0.215 0.000 0.701 564 A CB -0.609 18.346 19.000 -0.076 0.000 0.789 564 A HN 0.574 nan 8.150 nan 0.000 0.465 565 I N -0.508 119.859 120.570 -0.339 0.000 2.533 565 I HA 0.339 4.498 4.170 -0.018 0.000 0.290 565 I C -0.646 175.296 176.117 -0.292 0.000 1.056 565 I CA -0.450 60.675 61.300 -0.292 0.000 1.057 565 I CB 2.270 40.058 38.000 -0.354 0.000 1.240 565 I HN 0.094 nan 8.210 nan 0.000 0.423 566 I N 5.859 126.308 120.570 -0.202 0.000 3.083 566 I HA 0.178 4.338 4.170 -0.018 0.000 0.336 566 I C 0.589 176.643 176.117 -0.107 0.000 1.497 566 I CA -0.530 60.675 61.300 -0.159 0.000 0.936 566 I CB -0.312 37.606 38.000 -0.136 0.000 1.671 566 I HN 0.525 nan 8.210 nan 0.000 0.535 567 K N 1.649 121.985 120.400 -0.107 0.000 2.952 567 K HA 0.457 4.766 4.320 -0.018 0.000 0.323 567 K C -1.291 175.276 176.600 -0.055 0.000 1.003 567 K CA -0.651 55.592 56.287 -0.074 0.000 1.156 567 K CB -0.908 31.547 32.500 -0.074 0.000 1.339 567 K HN -0.212 nan 8.250 nan 0.000 0.516 568 P HA -0.164 nan 4.420 nan 0.000 0.221 568 P C -0.530 176.760 177.300 -0.018 0.000 1.141 568 P CA 1.527 64.614 63.100 -0.022 0.000 0.794 568 P CB 0.152 31.844 31.700 -0.014 0.000 0.764 569 K N -0.303 120.077 120.400 -0.033 0.000 2.498 569 K HA 0.437 4.746 4.320 -0.018 0.000 0.254 569 K C -3.065 173.505 176.600 -0.050 0.000 0.933 569 K CA -2.346 53.930 56.287 -0.019 0.000 0.806 569 K CB 2.539 35.037 32.500 -0.004 0.000 1.301 569 K HN -0.287 nan 8.250 nan 0.000 0.432 570 P HA 0.343 nan 4.420 nan 0.000 0.292 570 P C -1.403 175.908 177.300 0.018 0.000 1.326 570 P CA -0.502 62.559 63.100 -0.065 0.000 0.787 570 P CB 0.753 32.452 31.700 -0.001 0.000 0.903 571 L N 3.141 124.281 121.223 -0.139 0.000 2.371 571 L HA 0.604 4.933 4.340 -0.018 0.000 0.262 571 L C -0.108 176.722 176.870 -0.066 0.000 1.006 571 L CA -0.477 54.386 54.840 0.038 0.000 0.818 571 L CB 1.817 43.762 42.059 -0.189 0.000 1.354 571 L HN 0.357 nan 8.230 nan 0.000 0.415 572 W N 0.035 121.337 121.300 0.004 0.000 2.578 572 W HA 0.639 5.289 4.660 -0.018 0.000 0.364 572 W C 0.129 176.791 176.519 0.238 0.000 1.144 572 W CA -0.737 56.650 57.345 0.069 0.000 1.242 572 W CB 2.114 31.622 29.460 0.079 0.000 1.382 572 W HN 0.525 nan 8.180 nan 0.000 0.625 573 S N -0.471 115.523 115.700 0.490 0.000 2.608 573 S HA 0.414 4.873 4.470 -0.018 0.000 0.291 573 S C 0.963 175.709 174.600 0.244 0.000 1.146 573 S CA 0.000 58.514 58.200 0.523 0.000 1.043 573 S CB 1.584 65.025 63.200 0.402 0.000 1.037 573 S HN 0.658 nan 8.310 nan 0.000 0.520 574 G N 2.153 110.993 108.800 0.067 0.000 2.505 574 G HA2 -0.251 3.698 3.960 -0.018 0.000 0.220 574 G HA3 -0.251 3.698 3.960 -0.018 0.000 0.220 574 G C 1.268 176.113 174.900 -0.091 0.000 1.145 574 G CA 0.994 46.027 45.100 -0.113 0.000 0.761 574 G HN 0.816 nan 8.290 nan 0.000 0.571 575 K N -0.211 120.167 120.400 -0.037 0.000 1.985 575 K HA -0.094 4.215 4.320 -0.018 0.000 0.210 575 K C 2.551 179.167 176.600 0.028 0.000 1.047 575 K CA 1.082 57.355 56.287 -0.022 0.000 0.932 575 K CB -0.415 32.085 32.500 0.001 0.000 0.716 575 K HN 0.186 nan 8.250 nan 0.000 0.439 576 Q N 0.758 120.619 119.800 0.103 0.000 2.045 576 Q HA -0.242 4.087 4.340 -0.018 0.000 0.215 576 Q C 2.293 178.376 176.000 0.138 0.000 1.026 576 Q CA 2.520 58.419 55.803 0.160 0.000 0.885 576 Q CB -0.516 28.398 28.738 0.293 0.000 0.984 576 Q HN 0.523 nan 8.270 nan 0.000 0.414 577 I N -1.917 118.723 120.570 0.117 0.000 3.059 577 I HA -0.060 4.099 4.170 -0.018 0.000 0.270 577 I C 2.094 178.207 176.117 -0.007 0.000 1.238 577 I CA 0.552 61.882 61.300 0.049 0.000 1.478 577 I CB -0.519 37.464 38.000 -0.028 0.000 1.097 577 I HN 0.041 nan 8.210 nan 0.000 0.455 578 L N 1.191 122.399 121.223 -0.025 0.000 2.046 578 L HA -0.116 4.213 4.340 -0.018 0.000 0.208 578 L C 2.418 179.270 176.870 -0.030 0.000 1.077 578 L CA 1.885 56.694 54.840 -0.052 0.000 0.747 578 L CB -0.968 41.041 42.059 -0.083 0.000 0.896 578 L HN 0.269 nan 8.230 nan 0.000 0.432 579 S N -0.734 114.960 115.700 -0.009 0.000 2.441 579 S HA -0.191 4.268 4.470 -0.018 0.000 0.242 579 S C 1.961 176.573 174.600 0.021 0.000 1.018 579 S CA 1.334 59.534 58.200 0.000 0.000 0.988 579 S CB -0.749 62.465 63.200 0.022 0.000 0.778 579 S HN 0.419 nan 8.310 nan 0.000 0.498 580 V N 1.638 121.576 119.914 0.040 0.000 2.469 580 V HA -0.227 3.882 4.120 -0.018 0.000 0.251 580 V C 2.570 178.699 176.094 0.058 0.000 1.064 580 V CA 1.703 64.050 62.300 0.079 0.000 1.066 580 V CB -1.213 30.644 31.823 0.057 0.000 0.667 580 V HN 0.591 nan 8.190 nan 0.000 0.461 581 A N -0.242 122.585 122.820 0.011 0.000 1.970 581 A HA 0.097 4.406 4.320 -0.018 0.000 0.216 581 A C 1.225 178.797 177.584 -0.020 0.000 1.170 581 A CA 0.475 52.510 52.037 -0.003 0.000 0.645 581 A CB -0.262 18.721 19.000 -0.028 0.000 0.816 581 A HN 0.400 nan 8.150 nan 0.000 0.447 582 I N 2.552 123.101 120.570 -0.035 0.000 2.578 582 I HA 0.115 4.274 4.170 -0.018 0.000 0.286 582 I C -2.270 173.817 176.117 -0.049 0.000 1.126 582 I CA -2.144 59.120 61.300 -0.060 0.000 1.380 582 I CB -0.523 37.432 38.000 -0.075 0.000 1.408 582 I HN 0.134 nan 8.210 nan 0.000 0.532 583 P HA 0.091 nan 4.420 nan 0.000 0.272 583 P C -0.541 176.718 177.300 -0.068 0.000 1.230 583 P CA -0.511 62.563 63.100 -0.043 0.000 0.788 583 P CB 0.600 32.276 31.700 -0.039 0.000 0.949 584 N N 0.799 119.469 118.700 -0.050 0.000 2.402 584 N HA 0.356 5.086 4.740 -0.018 0.000 0.259 584 N C 1.154 176.622 175.510 -0.070 0.000 1.167 584 N CA 0.637 53.652 53.050 -0.059 0.000 0.949 584 N CB -0.469 37.997 38.487 -0.034 0.000 1.212 584 N HN 0.754 nan 8.380 nan 0.000 0.493 585 G N 1.477 110.200 108.800 -0.127 0.000 2.207 585 G HA2 -0.121 3.828 3.960 -0.018 0.000 0.193 585 G HA3 -0.121 3.828 3.960 -0.018 0.000 0.193 585 G C -0.554 174.168 174.900 -0.296 0.000 1.050 585 G CA -0.590 44.453 45.100 -0.094 0.000 0.780 585 G HN 0.371 nan 8.290 nan 0.000 0.504 586 I N 2.176 122.390 120.570 -0.594 0.000 2.404 586 I HA 0.556 4.715 4.170 -0.018 0.000 0.293 586 I C -0.449 175.125 176.117 -0.905 0.000 0.992 586 I CA -0.772 60.198 61.300 -0.550 0.000 1.149 586 I CB 1.424 39.265 38.000 -0.266 0.000 1.315 586 I HN 0.134 nan 8.210 nan 0.000 0.446 587 H N 6.427 125.478 119.070 -0.031 0.000 2.934 587 H HA 0.522 5.067 4.556 -0.018 0.000 0.340 587 H C -1.392 173.909 175.328 -0.045 0.000 1.008 587 H CA -0.632 55.394 56.048 -0.036 0.000 1.317 587 H CB 2.871 32.622 29.762 -0.018 0.000 1.670 587 H HN 0.335 nan 8.280 nan 0.000 0.516 588 L N 2.355 123.595 121.223 0.028 0.000 2.464 588 L HA 0.370 4.699 4.340 -0.018 0.000 0.266 588 L C -1.024 175.800 176.870 -0.077 0.000 0.965 588 L CA -0.219 54.600 54.840 -0.036 0.000 0.833 588 L CB 2.474 44.484 42.059 -0.082 0.000 1.296 588 L HN 0.664 nan 8.230 nan 0.000 0.405 589 Q N 4.135 123.888 119.800 -0.078 0.000 2.285 589 Q HA 0.481 4.810 4.340 -0.018 0.000 0.269 589 Q C -0.593 175.327 176.000 -0.134 0.000 1.030 589 Q CA -0.426 55.298 55.803 -0.132 0.000 0.788 589 Q CB 2.216 30.941 28.738 -0.021 0.000 1.266 589 Q HN 0.805 nan 8.270 nan 0.000 0.438 590 R N 2.706 123.037 120.500 -0.281 0.000 2.171 590 R HA 0.348 4.677 4.340 -0.018 0.000 0.171 590 R C -0.797 175.506 176.300 0.006 0.000 1.662 590 R CA 0.331 56.344 56.100 -0.144 0.000 1.323 590 R CB 0.561 30.769 30.300 -0.155 0.000 1.180 590 R HN 0.691 nan 8.270 nan 0.000 0.474 591 F N 1.810 121.773 119.950 0.022 0.000 2.115 591 F HA -0.222 4.294 4.527 -0.018 0.000 0.478 591 F C -0.213 175.602 175.800 0.026 0.000 1.242 591 F CA 0.474 58.504 58.000 0.051 0.000 1.540 591 F CB -0.481 38.551 39.000 0.054 0.000 2.457 591 F HN 0.325 nan 8.300 nan 0.000 0.726 592 D N 2.319 122.836 120.400 0.194 0.000 2.564 592 D HA 0.208 4.837 4.640 -0.018 0.000 0.273 592 D C 1.194 177.562 176.300 0.114 0.000 1.192 592 D CA -0.454 53.615 54.000 0.115 0.000 1.080 592 D CB 0.705 41.548 40.800 0.071 0.000 1.160 592 D HN 0.654 nan 8.370 nan 0.000 0.607 593 E N -0.067 120.175 120.200 0.069 0.000 2.085 593 E HA -0.103 4.236 4.350 -0.018 0.000 0.194 593 E C 0.881 177.516 176.600 0.059 0.000 0.994 593 E CA 0.773 57.204 56.400 0.052 0.000 0.801 593 E CB -0.040 29.678 29.700 0.031 0.000 0.743 593 E HN 0.371 nan 8.360 nan 0.000 0.453 594 G N 0.891 109.731 108.800 0.066 0.000 3.964 594 G HA2 0.191 4.140 3.960 -0.018 0.000 0.289 594 G HA3 0.191 4.140 3.960 -0.018 0.000 0.289 594 G C -0.771 174.191 174.900 0.102 0.000 1.176 594 G CA -0.258 44.883 45.100 0.068 0.000 1.553 594 G HN -0.097 nan 8.290 nan 0.000 0.588 595 T N 0.567 115.208 114.554 0.146 0.000 2.906 595 T HA 0.401 4.740 4.350 -0.018 0.000 0.302 595 T C 0.388 175.244 174.700 0.259 0.000 1.002 595 T CA -0.451 61.792 62.100 0.237 0.000 0.988 595 T CB 1.529 70.609 68.868 0.354 0.000 0.972 595 T HN 0.137 nan 8.240 nan 0.000 0.447 596 T N 2.568 117.219 114.554 0.162 0.000 3.331 596 T HA 0.270 4.609 4.350 -0.018 0.000 0.282 596 T C 1.223 175.947 174.700 0.040 0.000 1.010 596 T CA -0.448 61.705 62.100 0.089 0.000 0.928 596 T CB -0.270 68.611 68.868 0.022 0.000 1.154 596 T HN 0.482 nan 8.240 nan 0.000 0.516 597 L N -0.967 120.310 121.223 0.090 0.000 5.337 597 L HA -0.318 4.011 4.340 -0.018 0.000 0.446 597 L C 1.540 178.176 176.870 -0.390 0.000 1.007 597 L CA 1.501 56.288 54.840 -0.088 0.000 1.109 597 L CB -1.358 40.743 42.059 0.070 0.000 1.666 597 L HN 0.400 nan 8.230 nan 0.000 0.714 598 L N -1.338 119.725 121.223 -0.266 0.000 2.071 598 L HA 0.080 4.409 4.340 -0.018 0.000 0.201 598 L C 1.054 177.706 176.870 -0.364 0.000 1.076 598 L CA 0.925 55.589 54.840 -0.293 0.000 0.755 598 L CB -0.040 41.939 42.059 -0.134 0.000 0.915 598 L HN 0.363 nan 8.230 nan 0.000 0.445 599 S N -0.456 115.137 115.700 -0.178 0.000 3.634 599 S HA -0.076 4.383 4.470 -0.018 0.000 0.501 599 S C -1.648 172.934 174.600 -0.029 0.000 0.789 599 S CA 0.139 58.312 58.200 -0.046 0.000 1.378 599 S CB -1.024 62.210 63.200 0.057 0.000 0.896 599 S HN 0.274 nan 8.310 nan 0.000 0.703 600 P HA -0.156 nan 4.420 nan 0.000 0.215 600 P C 0.929 178.235 177.300 0.010 0.000 1.157 600 P CA 1.337 64.433 63.100 -0.007 0.000 0.874 600 P CB 0.068 31.767 31.700 -0.002 0.000 0.790 601 K N -0.716 119.697 120.400 0.022 0.000 2.505 601 K HA 0.014 4.323 4.320 -0.018 0.000 0.192 601 K C -0.074 176.550 176.600 0.039 0.000 1.025 601 K CA 0.014 56.318 56.287 0.027 0.000 1.086 601 K CB -0.543 31.974 32.500 0.029 0.000 0.840 601 K HN -0.017 nan 8.250 nan 0.000 0.514 602 D N 1.912 122.348 120.400 0.060 0.000 2.812 602 D HA -0.142 4.487 4.640 -0.018 0.000 0.237 602 D C -0.821 175.543 176.300 0.107 0.000 1.162 602 D CA 0.496 54.559 54.000 0.105 0.000 0.740 602 D CB -0.953 39.885 40.800 0.064 0.000 1.000 602 D HN 0.226 nan 8.370 nan 0.000 0.416 603 N N 0.035 118.817 118.700 0.137 0.000 2.478 603 N HA 0.608 5.337 4.740 -0.018 0.000 0.275 603 N C 1.330 176.902 175.510 0.102 0.000 1.221 603 N CA 0.216 53.327 53.050 0.102 0.000 0.979 603 N CB 0.790 39.335 38.487 0.097 0.000 1.202 603 N HN 0.445 nan 8.380 nan 0.000 0.564 604 G N 0.254 109.067 108.800 0.021 0.000 2.578 604 G HA2 -0.235 3.714 3.960 -0.018 0.000 0.284 604 G HA3 -0.235 3.714 3.960 -0.018 0.000 0.284 604 G C -0.432 174.326 174.900 -0.236 0.000 1.283 604 G CA 0.745 45.801 45.100 -0.074 0.000 0.944 604 G HN 0.646 nan 8.290 nan 0.000 0.558 605 M N -1.531 117.808 119.600 -0.436 0.000 2.373 605 M HA 0.741 5.210 4.480 -0.018 0.000 0.290 605 M C -2.026 173.852 176.300 -0.703 0.000 1.143 605 M CA -0.631 54.340 55.300 -0.549 0.000 0.949 605 M CB 1.898 34.311 32.600 -0.311 0.000 1.756 605 M HN 1.450 nan 8.290 nan 0.000 0.494 606 L N 5.802 126.549 121.223 -0.794 0.000 2.482 606 L HA 0.783 5.112 4.340 -0.018 0.000 0.269 606 L C -2.091 174.606 176.870 -0.290 0.000 0.967 606 L CA -0.074 54.451 54.840 -0.524 0.000 0.851 606 L CB 1.678 43.418 42.059 -0.532 0.000 1.242 606 L HN 0.807 nan 8.230 nan 0.000 0.404 607 I N 6.134 126.606 120.570 -0.163 0.000 2.418 607 I HA 0.479 4.638 4.170 -0.018 0.000 0.287 607 I C -0.876 175.245 176.117 0.007 0.000 1.008 607 I CA -0.515 60.730 61.300 -0.092 0.000 1.104 607 I CB 1.811 39.740 38.000 -0.117 0.000 1.264 607 I HN 0.385 nan 8.210 nan 0.000 0.438 608 I N 5.154 125.746 120.570 0.036 0.000 2.382 608 I HA 0.237 4.396 4.170 -0.018 0.000 0.285 608 I C 0.022 176.175 176.117 0.060 0.000 1.007 608 I CA -0.288 61.100 61.300 0.148 0.000 1.142 608 I CB 0.773 38.834 38.000 0.102 0.000 1.289 608 I HN 0.689 nan 8.210 nan 0.000 0.453 609 D N 5.444 125.819 120.400 -0.041 0.000 2.699 609 D HA -0.157 4.472 4.640 -0.018 0.000 0.239 609 D C 1.100 177.323 176.300 -0.127 0.000 1.136 609 D CA 1.500 55.423 54.000 -0.127 0.000 0.668 609 D CB -0.714 40.134 40.800 0.080 0.000 1.060 609 D HN 1.208 nan 8.370 nan 0.000 0.429 610 G N -0.204 108.493 108.800 -0.171 0.000 2.160 610 G HA2 -0.275 3.674 3.960 -0.018 0.000 0.244 610 G HA3 -0.275 3.674 3.960 -0.018 0.000 0.244 610 G C -0.187 174.682 174.900 -0.052 0.000 1.022 610 G CA 0.409 45.447 45.100 -0.104 0.000 0.741 610 G HN 0.489 nan 8.290 nan 0.000 0.508 611 Q N -0.601 119.171 119.800 -0.046 0.000 2.271 611 Q HA 0.399 4.728 4.340 -0.018 0.000 0.268 611 Q C -0.072 175.912 176.000 -0.027 0.000 1.021 611 Q CA -0.780 55.013 55.803 -0.016 0.000 0.802 611 Q CB 2.402 31.146 28.738 0.010 0.000 1.282 611 Q HN 0.611 nan 8.270 nan 0.000 0.431 612 I N 3.683 124.234 120.570 -0.031 0.000 2.517 612 I HA -0.027 4.132 4.170 -0.018 0.000 0.285 612 I C 0.298 176.407 176.117 -0.014 0.000 1.106 612 I CA -0.095 61.174 61.300 -0.051 0.000 1.402 612 I CB 0.366 38.328 38.000 -0.064 0.000 1.399 612 I HN 0.589 nan 8.210 nan 0.000 0.535 613 I N 8.022 128.576 120.570 -0.026 0.000 2.364 613 I HA 0.137 4.296 4.170 -0.018 0.000 0.241 613 I C 0.414 176.637 176.117 0.178 0.000 1.082 613 I CA 1.148 62.494 61.300 0.077 0.000 1.401 613 I CB -0.934 37.139 38.000 0.122 0.000 1.126 613 I HN 0.669 nan 8.210 nan 0.000 0.429 614 F N -0.379 119.548 119.950 -0.039 0.000 2.703 614 F HA 0.686 5.202 4.527 -0.018 0.000 0.308 614 F C -0.570 175.192 175.800 -0.064 0.000 1.126 614 F CA -0.745 57.229 58.000 -0.043 0.000 0.959 614 F CB 1.029 40.009 39.000 -0.033 0.000 1.297 614 F HN 0.185 nan 8.300 nan 0.000 0.441 615 G N 1.208 110.009 108.800 0.001 0.000 2.627 615 G HA2 0.332 4.281 3.960 -0.018 0.000 0.680 615 G HA3 0.332 4.281 3.960 -0.018 0.000 0.680 615 G C -2.038 172.809 174.900 -0.089 0.000 1.341 615 G CA -0.650 44.392 45.100 -0.096 0.000 0.835 615 G HN 1.122 nan 8.290 nan 0.000 0.643 616 V N 1.293 121.170 119.914 -0.063 0.000 2.555 616 V HA 0.417 4.527 4.120 -0.018 0.000 0.286 616 V C 0.971 177.007 176.094 -0.097 0.000 1.044 616 V CA -0.415 61.838 62.300 -0.078 0.000 1.026 616 V CB 1.507 33.295 31.823 -0.058 0.000 0.981 616 V HN 0.837 nan 8.190 nan 0.000 0.480 617 V N 6.045 125.893 119.914 -0.109 0.000 2.406 617 V HA 0.566 4.675 4.120 -0.018 0.000 0.272 617 V C 0.047 176.087 176.094 -0.090 0.000 1.043 617 V CA -0.238 61.998 62.300 -0.107 0.000 0.915 617 V CB 0.802 32.554 31.823 -0.118 0.000 0.988 617 V HN 1.136 nan 8.190 nan 0.000 0.466 618 E N 3.239 123.396 120.200 -0.072 0.000 2.233 618 E HA 0.366 4.705 4.350 -0.018 0.000 0.223 618 E C 0.730 177.308 176.600 -0.036 0.000 1.048 618 E CA -0.845 55.524 56.400 -0.052 0.000 0.883 618 E CB 0.473 30.147 29.700 -0.044 0.000 1.925 618 E HN 0.068 nan 8.360 nan 0.000 0.460 619 K N 0.142 120.530 120.400 -0.020 0.000 2.211 619 K HA -0.102 4.208 4.320 -0.018 0.000 0.204 619 K C 1.490 178.085 176.600 -0.009 0.000 1.047 619 K CA 1.579 57.862 56.287 -0.006 0.000 0.935 619 K CB -0.101 32.401 32.500 0.004 0.000 0.728 619 K HN 0.358 nan 8.250 nan 0.000 0.452 620 K N -0.614 119.775 120.400 -0.018 0.000 2.057 620 K HA -0.096 4.213 4.320 -0.018 0.000 0.207 620 K C 1.992 178.574 176.600 -0.031 0.000 1.049 620 K CA 1.841 58.114 56.287 -0.022 0.000 0.931 620 K CB -0.024 32.460 32.500 -0.027 0.000 0.714 620 K HN 0.167 nan 8.250 nan 0.000 0.440 621 T N 0.359 114.885 114.554 -0.046 0.000 2.815 621 T HA -0.042 4.297 4.350 -0.018 0.000 0.244 621 T C 1.656 176.323 174.700 -0.054 0.000 1.040 621 T CA 0.549 62.612 62.100 -0.061 0.000 1.176 621 T CB -0.128 68.686 68.868 -0.089 0.000 0.880 621 T HN -0.042 nan 8.240 nan 0.000 0.414 622 V N 1.707 121.587 119.914 -0.057 0.000 3.630 622 V HA 0.347 4.456 4.120 -0.018 0.000 0.273 622 V C 0.991 177.074 176.094 -0.019 0.000 1.248 622 V CA 0.331 62.594 62.300 -0.063 0.000 1.170 622 V CB -1.033 30.747 31.823 -0.071 0.000 0.899 622 V HN 0.481 nan 8.190 nan 0.000 0.457 623 G N -0.791 108.011 108.800 0.003 0.000 2.557 623 G HA2 0.310 4.259 3.960 -0.018 0.000 0.302 623 G HA3 0.310 4.259 3.960 -0.018 0.000 0.302 623 G C 0.381 175.317 174.900 0.060 0.000 1.311 623 G CA 0.032 45.155 45.100 0.040 0.000 1.030 623 G HN 0.279 nan 8.290 nan 0.000 0.509 624 S N 0.194 115.936 115.700 0.069 0.000 3.110 624 S HA 0.150 4.609 4.470 -0.018 0.000 0.253 624 S C 1.160 175.791 174.600 0.051 0.000 1.074 624 S CA 0.177 58.417 58.200 0.067 0.000 1.201 624 S CB -0.930 62.298 63.200 0.047 0.000 0.889 624 S HN 0.798 nan 8.310 nan 0.000 0.490 625 S N 0.681 116.411 115.700 0.050 0.000 2.730 625 S HA 0.365 4.824 4.470 -0.018 0.000 0.284 625 S C 1.033 175.679 174.600 0.077 0.000 1.153 625 S CA -0.868 57.358 58.200 0.044 0.000 0.995 625 S CB 0.813 64.026 63.200 0.022 0.000 1.058 625 S HN 0.276 nan 8.310 nan 0.000 0.552 626 N N 0.816 119.555 118.700 0.065 0.000 2.083 626 N HA -0.023 4.706 4.740 -0.018 0.000 0.190 626 N C 1.322 176.887 175.510 0.093 0.000 1.047 626 N CA 1.390 54.502 53.050 0.102 0.000 0.845 626 N CB -0.747 37.752 38.487 0.020 0.000 1.025 626 N HN 0.842 nan 8.380 nan 0.000 0.428 627 G N 0.292 109.098 108.800 0.011 0.000 3.678 627 G HA2 0.387 4.336 3.960 -0.018 0.000 0.287 627 G HA3 0.387 4.336 3.960 -0.018 0.000 0.287 627 G C 0.357 175.250 174.900 -0.013 0.000 1.280 627 G CA -0.163 44.920 45.100 -0.029 0.000 1.118 627 G HN 0.391 nan 8.290 nan 0.000 0.563 628 G N -0.632 108.184 108.800 0.026 0.000 2.543 628 G HA2 0.367 4.317 3.960 -0.018 0.000 0.290 628 G HA3 0.367 4.317 3.960 -0.018 0.000 0.290 628 G C 0.946 175.847 174.900 0.001 0.000 1.310 628 G CA -0.635 44.468 45.100 0.005 0.000 1.025 628 G HN 0.221 nan 8.290 nan 0.000 0.502 629 L N -0.446 120.752 121.223 -0.042 0.000 2.027 629 L HA -0.042 4.287 4.340 -0.018 0.000 0.206 629 L C 2.730 179.565 176.870 -0.059 0.000 1.074 629 L CA 1.220 56.019 54.840 -0.068 0.000 0.745 629 L CB -0.318 41.672 42.059 -0.114 0.000 0.898 629 L HN 0.506 nan 8.230 nan 0.000 0.433 630 I N -0.484 120.037 120.570 -0.081 0.000 2.194 630 I HA -0.358 3.802 4.170 -0.018 0.000 0.246 630 I C 2.573 178.694 176.117 0.007 0.000 1.093 630 I CA 1.512 62.750 61.300 -0.103 0.000 1.355 630 I CB -1.069 36.877 38.000 -0.090 0.000 1.046 630 I HN 0.366 nan 8.210 nan 0.000 0.413 631 H N 0.911 119.967 119.070 -0.023 0.000 2.289 631 H HA -0.134 4.411 4.556 -0.018 0.000 0.296 631 H C 2.365 177.684 175.328 -0.014 0.000 1.091 631 H CA 2.166 58.213 56.048 -0.002 0.000 1.274 631 H CB -0.269 29.497 29.762 0.007 0.000 1.364 631 H HN 0.158 nan 8.280 nan 0.000 0.490 632 V N 0.278 120.280 119.914 0.147 0.000 2.332 632 V HA -0.222 3.887 4.120 -0.018 0.000 0.248 632 V C 2.955 179.072 176.094 0.039 0.000 1.055 632 V CA 1.627 63.965 62.300 0.063 0.000 1.038 632 V CB -0.736 31.090 31.823 0.005 0.000 0.651 632 V HN 0.226 nan 8.190 nan 0.000 0.450 633 V N 0.011 119.926 119.914 0.001 0.000 2.667 633 V HA -0.192 3.917 4.120 -0.018 0.000 0.252 633 V C 2.470 178.561 176.094 -0.004 0.000 1.065 633 V CA 2.237 64.522 62.300 -0.025 0.000 1.083 633 V CB -0.963 30.817 31.823 -0.072 0.000 0.692 633 V HN 0.643 nan 8.190 nan 0.000 0.468 634 T N -0.501 114.061 114.554 0.013 0.000 2.732 634 T HA -0.110 4.229 4.350 -0.018 0.000 0.261 634 T C 2.114 176.824 174.700 0.016 0.000 1.040 634 T CA 0.877 62.985 62.100 0.012 0.000 1.145 634 T CB -0.215 68.653 68.868 0.000 0.000 0.866 634 T HN 0.207 nan 8.240 nan 0.000 0.427 635 R N 1.321 121.852 120.500 0.051 0.000 2.189 635 R HA 0.126 4.455 4.340 -0.018 0.000 0.218 635 R C 0.918 177.224 176.300 0.011 0.000 1.074 635 R CA 0.505 56.624 56.100 0.031 0.000 0.991 635 R CB -0.206 30.150 30.300 0.093 0.000 0.883 635 R HN 0.507 nan 8.270 nan 0.000 0.457 636 E N 2.145 122.359 120.200 0.023 0.000 2.026 636 E HA 0.030 4.370 4.350 -0.018 0.000 0.253 636 E C -0.680 175.931 176.600 0.017 0.000 1.056 636 E CA -0.291 56.124 56.400 0.025 0.000 0.927 636 E CB 0.180 29.902 29.700 0.037 0.000 1.172 636 E HN -0.130 nan 8.360 nan 0.000 0.445 637 K N 1.291 121.697 120.400 0.011 0.000 5.269 637 K HA -0.231 4.078 4.320 -0.018 0.000 0.389 637 K C -0.016 176.588 176.600 0.006 0.000 0.851 637 K CA 0.995 57.288 56.287 0.010 0.000 1.052 637 K CB -1.158 31.355 32.500 0.022 0.000 1.961 637 K HN 0.760 nan 8.250 nan 0.000 0.344 638 G N 2.484 111.286 108.800 0.003 0.000 3.319 638 G HA2 0.352 4.302 3.960 -0.018 0.000 0.158 638 G HA3 0.352 4.302 3.960 -0.018 0.000 0.158 638 G C -2.315 172.585 174.900 -0.000 0.000 1.205 638 G CA -0.069 45.030 45.100 -0.002 0.000 1.252 638 G HN 0.259 nan 8.290 nan 0.000 0.668 639 P HA 0.087 nan 4.420 nan 0.000 0.211 639 P C 1.352 178.663 177.300 0.017 0.000 1.183 639 P CA 1.267 64.370 63.100 0.005 0.000 0.901 639 P CB 0.280 31.977 31.700 -0.004 0.000 0.762 640 Q N -0.181 119.626 119.800 0.012 0.000 2.170 640 Q HA -0.068 4.261 4.340 -0.018 0.000 0.203 640 Q C 2.305 178.320 176.000 0.026 0.000 0.976 640 Q CA 1.134 56.948 55.803 0.019 0.000 0.858 640 Q CB -0.720 28.024 28.738 0.011 0.000 0.907 640 Q HN -0.005 nan 8.270 nan 0.000 0.433 641 V N 0.373 120.297 119.914 0.017 0.000 2.282 641 V HA -0.363 3.746 4.120 -0.018 0.000 0.249 641 V C 2.364 178.464 176.094 0.011 0.000 1.057 641 V CA 1.838 64.145 62.300 0.012 0.000 1.032 641 V CB -0.660 31.165 31.823 0.003 0.000 0.645 641 V HN 0.613 nan 8.190 nan 0.000 0.447 642 C N 0.266 119.574 119.300 0.013 0.000 2.440 642 C HA -0.023 4.426 4.460 -0.018 0.000 0.278 642 C C 3.018 178.053 174.990 0.075 0.000 1.295 642 C CA 0.766 59.785 59.018 0.003 0.000 1.738 642 C CB -1.225 26.521 27.740 0.011 0.000 1.987 642 C HN 0.581 nan 8.230 nan 0.000 0.492 643 A N -0.272 122.625 122.820 0.128 0.000 1.968 643 A HA -0.115 4.194 4.320 -0.018 0.000 0.217 643 A C 2.315 180.000 177.584 0.168 0.000 1.169 643 A CA 1.627 53.789 52.037 0.209 0.000 0.638 643 A CB -0.665 18.401 19.000 0.109 0.000 0.812 643 A HN 0.734 nan 8.150 nan 0.000 0.446 644 K N -0.614 119.842 120.400 0.093 0.000 2.217 644 K HA -0.065 4.244 4.320 -0.018 0.000 0.202 644 K C 1.844 178.486 176.600 0.071 0.000 1.051 644 K CA 1.077 57.409 56.287 0.075 0.000 0.952 644 K CB -0.222 32.306 32.500 0.047 0.000 0.736 644 K HN 0.432 nan 8.250 nan 0.000 0.453 645 L N 0.423 121.671 121.223 0.042 0.000 1.988 645 L HA -0.107 4.222 4.340 -0.018 0.000 0.207 645 L C 1.801 178.674 176.870 0.006 0.000 1.071 645 L CA 1.612 56.440 54.840 -0.020 0.000 0.744 645 L CB -0.610 41.379 42.059 -0.117 0.000 0.893 645 L HN 0.092 nan 8.230 nan 0.000 0.433 646 F N 0.514 120.463 119.950 -0.002 0.000 2.079 646 F HA -0.358 4.158 4.527 -0.018 0.000 0.296 646 F C 2.364 178.167 175.800 0.004 0.000 1.084 646 F CA 2.006 60.006 58.000 -0.000 0.000 1.236 646 F CB -1.141 37.861 39.000 0.004 0.000 0.984 646 F HN 0.316 nan 8.300 nan 0.000 0.488 647 G N -0.573 108.359 108.800 0.220 0.000 2.433 647 G HA2 -0.285 3.664 3.960 -0.018 0.000 0.216 647 G HA3 -0.285 3.664 3.960 -0.018 0.000 0.216 647 G C 1.432 176.380 174.900 0.080 0.000 1.186 647 G CA 1.135 46.313 45.100 0.129 0.000 0.779 647 G HN 0.283 nan 8.290 nan 0.000 0.543 648 N N 0.812 119.550 118.700 0.062 0.000 2.223 648 N HA -0.041 4.688 4.740 -0.018 0.000 0.185 648 N C 2.177 177.689 175.510 0.003 0.000 1.016 648 N CA 0.688 53.760 53.050 0.037 0.000 0.863 648 N CB -0.242 38.267 38.487 0.036 0.000 0.983 648 N HN 0.414 nan 8.380 nan 0.000 0.429 649 I N 1.333 121.901 120.570 -0.004 0.000 2.058 649 I HA -0.337 3.822 4.170 -0.018 0.000 0.235 649 I C 2.259 178.365 176.117 -0.019 0.000 1.053 649 I CA 1.329 62.613 61.300 -0.026 0.000 1.313 649 I CB -0.624 37.351 38.000 -0.042 0.000 1.039 649 I HN 0.120 nan 8.210 nan 0.000 0.396 650 Q N 1.127 120.935 119.800 0.015 0.000 2.047 650 Q HA -0.298 4.031 4.340 -0.018 0.000 0.211 650 Q C 2.235 178.192 176.000 -0.072 0.000 1.005 650 Q CA 2.189 57.993 55.803 0.002 0.000 0.866 650 Q CB -0.305 28.456 28.738 0.038 0.000 0.938 650 Q HN 0.455 nan 8.270 nan 0.000 0.414 651 K N -0.151 120.189 120.400 -0.099 0.000 2.113 651 K HA -0.180 4.129 4.320 -0.018 0.000 0.208 651 K C 2.068 178.411 176.600 -0.427 0.000 1.047 651 K CA 1.673 57.797 56.287 -0.272 0.000 0.928 651 K CB -0.161 32.281 32.500 -0.096 0.000 0.716 651 K HN 0.070 nan 8.250 nan 0.000 0.446 652 V N 0.545 120.334 119.914 -0.208 0.000 2.273 652 V HA -0.184 3.925 4.120 -0.018 0.000 0.242 652 V C 2.271 178.351 176.094 -0.023 0.000 1.035 652 V CA 1.273 63.484 62.300 -0.147 0.000 1.013 652 V CB -0.385 31.391 31.823 -0.078 0.000 0.652 652 V HN 0.038 nan 8.190 nan 0.000 0.452 653 V N 1.365 121.268 119.914 -0.018 0.000 2.278 653 V HA -0.324 3.785 4.120 -0.018 0.000 0.251 653 V C 2.418 178.565 176.094 0.089 0.000 1.062 653 V CA 2.427 64.751 62.300 0.039 0.000 1.038 653 V CB -1.076 30.746 31.823 -0.001 0.000 0.646 653 V HN 0.591 nan 8.190 nan 0.000 0.447 654 N N -0.138 118.563 118.700 0.001 0.000 2.036 654 N HA -0.236 4.493 4.740 -0.018 0.000 0.195 654 N C 1.750 177.250 175.510 -0.016 0.000 1.037 654 N CA 2.084 55.121 53.050 -0.020 0.000 0.855 654 N CB -0.689 37.741 38.487 -0.095 0.000 1.033 654 N HN 0.554 nan 8.380 nan 0.000 0.423 655 F N 0.300 120.109 119.950 -0.235 0.000 2.095 655 F HA -0.186 4.330 4.527 -0.019 0.000 0.298 655 F C 2.427 178.204 175.800 -0.038 0.000 1.104 655 F CA 1.440 59.303 58.000 -0.228 0.000 1.232 655 F CB -0.429 38.258 39.000 -0.521 0.000 0.987 655 F HN 0.124 nan 8.300 nan 0.000 0.475 656 W N 0.707 122.004 121.300 -0.005 0.000 2.354 656 W HA -0.230 4.419 4.660 -0.018 0.000 0.315 656 W C 2.262 178.736 176.519 -0.075 0.000 1.206 656 W CA 2.075 59.391 57.345 -0.047 0.000 1.290 656 W CB -0.763 28.697 29.460 -0.000 0.000 1.152 656 W HN 0.171 nan 8.180 nan 0.000 0.489 657 L N 0.816 122.167 121.223 0.213 0.000 2.013 657 L HA -0.227 4.102 4.340 -0.018 0.000 0.212 657 L C 2.505 179.290 176.870 -0.142 0.000 1.073 657 L CA 2.335 57.206 54.840 0.051 0.000 0.753 657 L CB -1.498 40.654 42.059 0.156 0.000 0.890 657 L HN 0.215 nan 8.230 nan 0.000 0.432 658 L N -0.757 120.392 121.223 -0.123 0.000 2.064 658 L HA -0.333 3.996 4.340 -0.018 0.000 0.216 658 L C 2.405 179.130 176.870 -0.242 0.000 1.077 658 L CA 2.189 56.933 54.840 -0.160 0.000 0.766 658 L CB -0.744 41.219 42.059 -0.160 0.000 0.890 658 L HN 0.492 nan 8.230 nan 0.000 0.435 659 H N -2.418 116.366 119.070 -0.476 0.000 2.562 659 H HA 0.035 4.580 4.556 -0.018 0.000 0.267 659 H C 1.534 176.582 175.328 -0.467 0.000 0.959 659 H CA 0.899 56.674 56.048 -0.455 0.000 1.204 659 H CB 0.321 29.774 29.762 -0.514 0.000 1.430 659 H HN 0.513 nan 8.280 nan 0.000 0.545 660 N N 0.091 118.478 118.700 -0.522 0.000 2.402 660 N HA 0.055 4.784 4.740 -0.018 0.000 0.174 660 N C 0.557 175.911 175.510 -0.261 0.000 1.027 660 N CA 0.754 53.469 53.050 -0.559 0.000 0.891 660 N CB 0.836 38.596 38.487 -1.211 0.000 1.016 660 N HN 0.327 nan 8.380 nan 0.000 0.439 661 G N -0.336 108.359 108.800 -0.176 0.000 2.846 661 G HA2 -0.151 3.798 3.960 -0.018 0.000 0.660 661 G HA3 -0.151 3.798 3.960 -0.018 0.000 0.660 661 G C -0.946 174.045 174.900 0.152 0.000 1.464 661 G CA -0.035 45.050 45.100 -0.024 0.000 0.891 661 G HN 0.391 nan 8.290 nan 0.000 0.552 662 F N 0.572 120.498 119.950 -0.040 0.000 2.725 662 F HA 0.668 5.184 4.527 -0.018 0.000 0.311 662 F C 0.147 175.942 175.800 -0.008 0.000 1.121 662 F CA 0.338 58.333 58.000 -0.008 0.000 0.978 662 F CB 1.251 40.264 39.000 0.021 0.000 1.274 662 F HN 1.811 nan 8.300 nan 0.000 0.440 663 S N 2.146 117.373 115.700 -0.788 0.000 3.070 663 S HA 0.951 5.410 4.470 -0.018 0.000 0.320 663 S C -1.197 172.978 174.600 -0.709 0.000 1.215 663 S CA -0.453 57.383 58.200 -0.607 0.000 0.956 663 S CB 2.205 65.249 63.200 -0.259 0.000 1.337 663 S HN 0.839 nan 8.310 nan 0.000 0.639 664 T N -0.159 114.185 114.554 -0.351 0.000 3.393 664 T HA 0.663 5.002 4.350 -0.018 0.000 0.359 664 T C -0.405 174.218 174.700 -0.130 0.000 1.380 664 T CA -0.218 61.743 62.100 -0.231 0.000 1.132 664 T CB 1.237 69.980 68.868 -0.209 0.000 1.284 664 T HN 1.214 nan 8.240 nan 0.000 0.477 665 G N 0.618 109.368 108.800 -0.084 0.000 2.788 665 G HA2 0.622 4.571 3.960 -0.018 0.000 0.293 665 G HA3 0.622 4.571 3.960 -0.018 0.000 0.293 665 G C 0.708 175.586 174.900 -0.037 0.000 1.305 665 G CA -1.023 44.044 45.100 -0.055 0.000 1.005 665 G HN 0.651 nan 8.290 nan 0.000 0.496 666 I N 0.056 120.610 120.570 -0.027 0.000 2.614 666 I HA 0.092 4.251 4.170 -0.018 0.000 0.258 666 I C 2.525 178.635 176.117 -0.011 0.000 1.189 666 I CA 1.184 62.474 61.300 -0.016 0.000 1.462 666 I CB -0.600 37.394 38.000 -0.011 0.000 1.092 666 I HN 0.467 nan 8.210 nan 0.000 0.442 667 G N 0.132 108.925 108.800 -0.012 0.000 2.776 667 G HA2 -0.110 3.840 3.960 -0.018 0.000 0.209 667 G HA3 -0.110 3.840 3.960 -0.018 0.000 0.209 667 G C 0.992 175.890 174.900 -0.005 0.000 1.145 667 G CA 0.340 45.437 45.100 -0.006 0.000 0.791 667 G HN 0.348 nan 8.290 nan 0.000 0.530 668 D N -0.048 120.347 120.400 -0.009 0.000 2.342 668 D HA 0.045 4.674 4.640 -0.018 0.000 0.221 668 D C 1.894 178.191 176.300 -0.006 0.000 1.101 668 D CA 0.764 54.761 54.000 -0.004 0.000 0.837 668 D CB 0.563 41.357 40.800 -0.010 0.000 0.938 668 D HN 0.452 nan 8.370 nan 0.000 0.508 669 T N -2.858 111.692 114.554 -0.007 0.000 3.016 669 T HA 0.204 4.543 4.350 -0.018 0.000 0.271 669 T C 0.935 175.631 174.700 -0.007 0.000 0.968 669 T CA -0.326 61.770 62.100 -0.007 0.000 0.891 669 T CB 0.923 69.791 68.868 -0.000 0.000 1.149 669 T HN -0.122 nan 8.240 nan 0.000 0.524 670 I N 3.157 123.724 120.570 -0.004 0.000 2.618 670 I HA 0.512 4.671 4.170 -0.018 0.000 0.284 670 I C 0.682 176.796 176.117 -0.005 0.000 1.146 670 I CA -0.153 61.145 61.300 -0.003 0.000 1.425 670 I CB 0.353 38.352 38.000 -0.001 0.000 1.383 670 I HN 0.378 nan 8.210 nan 0.000 0.562 671 A N 5.112 127.928 122.820 -0.007 0.000 2.386 671 A HA 0.374 4.683 4.320 -0.018 0.000 0.308 671 A C -0.462 177.121 177.584 -0.002 0.000 1.128 671 A CA -0.771 51.263 52.037 -0.006 0.000 0.789 671 A CB 0.915 19.907 19.000 -0.013 0.000 1.325 671 A HN 0.716 nan 8.150 nan 0.000 0.437 672 D N 0.579 120.979 120.400 -0.000 0.000 2.531 672 D HA 0.280 4.909 4.640 -0.018 0.000 0.239 672 D C 1.530 177.832 176.300 0.002 0.000 1.144 672 D CA 1.291 55.292 54.000 0.003 0.000 0.869 672 D CB 0.739 41.541 40.800 0.004 0.000 1.160 672 D HN 0.578 nan 8.370 nan 0.000 0.484 673 G N 4.047 112.849 108.800 0.003 0.000 2.628 673 G HA2 -0.227 3.722 3.960 -0.018 0.000 0.217 673 G HA3 -0.227 3.722 3.960 -0.018 0.000 0.217 673 G C -0.792 174.111 174.900 0.005 0.000 1.240 673 G CA 0.422 45.524 45.100 0.004 0.000 0.792 673 G HN 0.598 nan 8.290 nan 0.000 0.593 674 P HA 0.114 nan 4.420 nan 0.000 0.274 674 P C 0.690 177.993 177.300 0.006 0.000 1.370 674 P CA 1.177 64.281 63.100 0.006 0.000 0.760 674 P CB -0.101 31.603 31.700 0.007 0.000 1.308 675 T N -2.910 111.646 114.554 0.005 0.000 2.980 675 T HA 0.089 4.428 4.350 -0.018 0.000 0.252 675 T C 1.449 176.150 174.700 0.002 0.000 0.962 675 T CA -0.018 62.084 62.100 0.004 0.000 0.932 675 T CB -0.352 68.517 68.868 0.003 0.000 1.188 675 T HN 0.203 nan 8.240 nan 0.000 0.500 676 M N 1.121 120.722 119.600 0.001 0.000 2.319 676 M HA 0.218 4.687 4.480 -0.018 0.000 0.265 676 M C 2.288 178.591 176.300 0.005 0.000 1.068 676 M CA 1.146 56.446 55.300 -0.000 0.000 1.118 676 M CB -0.386 32.213 32.600 -0.002 0.000 1.395 676 M HN -0.033 nan 8.290 nan 0.000 0.435 677 R N 1.248 121.752 120.500 0.007 0.000 2.080 677 R HA -0.138 4.192 4.340 -0.018 0.000 0.236 677 R C 1.836 178.142 176.300 0.010 0.000 1.137 677 R CA 2.273 58.379 56.100 0.009 0.000 0.943 677 R CB -0.281 30.024 30.300 0.009 0.000 0.846 677 R HN 0.561 nan 8.270 nan 0.000 0.431 678 E N -0.269 119.936 120.200 0.008 0.000 2.401 678 E HA -0.160 4.179 4.350 -0.018 0.000 0.199 678 E C 1.766 178.372 176.600 0.010 0.000 1.023 678 E CA 0.878 57.283 56.400 0.009 0.000 0.859 678 E CB 0.062 29.767 29.700 0.008 0.000 0.780 678 E HN 0.473 nan 8.360 nan 0.000 0.523 679 I N -0.382 120.194 120.570 0.010 0.000 2.731 679 I HA -0.124 4.035 4.170 -0.018 0.000 0.260 679 I C 2.358 178.488 176.117 0.023 0.000 1.138 679 I CA 0.620 61.928 61.300 0.013 0.000 1.461 679 I CB 0.206 38.208 38.000 0.004 0.000 1.128 679 I HN -0.048 nan 8.210 nan 0.000 0.438 680 T N 0.856 115.423 114.554 0.021 0.000 2.867 680 T HA -0.167 4.172 4.350 -0.018 0.000 0.268 680 T C 1.694 176.411 174.700 0.028 0.000 1.057 680 T CA 1.577 63.694 62.100 0.029 0.000 1.136 680 T CB -0.157 68.726 68.868 0.025 0.000 0.874 680 T HN 0.544 nan 8.240 nan 0.000 0.466 681 E N -0.125 120.087 120.200 0.019 0.000 2.371 681 E HA -0.030 4.309 4.350 -0.018 0.000 0.194 681 E C 1.715 178.320 176.600 0.008 0.000 1.012 681 E CA 0.817 57.225 56.400 0.014 0.000 0.860 681 E CB -0.336 29.371 29.700 0.011 0.000 0.811 681 E HN 0.307 nan 8.360 nan 0.000 0.502 682 T N 1.633 116.193 114.554 0.010 0.000 2.857 682 T HA -0.012 4.327 4.350 -0.018 0.000 0.266 682 T C 1.873 176.573 174.700 0.001 0.000 1.048 682 T CA 0.682 62.784 62.100 0.002 0.000 1.139 682 T CB 0.043 68.917 68.868 0.010 0.000 0.874 682 T HN 0.126 nan 8.240 nan 0.000 0.455 683 I N 1.837 122.424 120.570 0.027 0.000 2.193 683 I HA -0.026 4.133 4.170 -0.018 0.000 0.240 683 I C 3.004 179.124 176.117 0.005 0.000 1.084 683 I CA 1.029 62.350 61.300 0.035 0.000 1.365 683 I CB -1.682 36.386 38.000 0.113 0.000 1.064 683 I HN 0.167 nan 8.210 nan 0.000 0.410 684 A N 1.347 124.179 122.820 0.019 0.000 1.948 684 A HA -0.262 4.048 4.320 -0.018 0.000 0.220 684 A C 2.272 179.859 177.584 0.005 0.000 1.177 684 A CA 2.252 54.299 52.037 0.017 0.000 0.636 684 A CB -0.770 18.244 19.000 0.023 0.000 0.815 684 A HN 0.697 nan 8.150 nan 0.000 0.449 685 E N -0.387 119.809 120.200 -0.007 0.000 2.076 685 E HA 0.095 4.434 4.350 -0.018 0.000 0.190 685 E C 2.016 178.593 176.600 -0.037 0.000 0.979 685 E CA 0.916 57.307 56.400 -0.016 0.000 0.807 685 E CB -0.461 29.224 29.700 -0.024 0.000 0.761 685 E HN 0.413 nan 8.360 nan 0.000 0.454 686 A N 1.710 124.486 122.820 -0.073 0.000 1.933 686 A HA -0.147 4.162 4.320 -0.018 0.000 0.218 686 A C 2.189 179.741 177.584 -0.054 0.000 1.175 686 A CA 1.416 53.379 52.037 -0.124 0.000 0.628 686 A CB -0.364 18.539 19.000 -0.160 0.000 0.814 686 A HN 0.096 nan 8.150 nan 0.000 0.444 687 K N 0.010 120.376 120.400 -0.057 0.000 1.985 687 K HA -0.079 4.230 4.320 -0.018 0.000 0.210 687 K C 1.381 177.997 176.600 0.027 0.000 1.047 687 K CA 1.338 57.603 56.287 -0.036 0.000 0.932 687 K CB -0.253 32.230 32.500 -0.027 0.000 0.716 687 K HN 0.356 nan 8.250 nan 0.000 0.439 688 K N 0.994 121.412 120.400 0.030 0.000 2.569 688 K HA -0.029 4.280 4.320 -0.018 0.000 0.193 688 K C 1.104 177.747 176.600 0.072 0.000 1.026 688 K CA 0.455 56.771 56.287 0.048 0.000 1.093 688 K CB 0.199 32.721 32.500 0.036 0.000 0.849 688 K HN 0.086 nan 8.250 nan 0.000 0.509 689 K N -0.606 119.858 120.400 0.107 0.000 2.402 689 K HA 0.079 4.389 4.320 -0.018 0.000 0.203 689 K C 1.429 178.242 176.600 0.356 0.000 1.077 689 K CA -0.044 56.368 56.287 0.207 0.000 1.051 689 K CB 0.925 33.525 32.500 0.168 0.000 0.907 689 K HN -0.126 nan 8.250 nan 0.000 0.554 690 V N 1.332 121.402 119.914 0.260 0.000 2.323 690 V HA -0.196 3.913 4.120 -0.018 0.000 0.244 690 V C 1.939 178.118 176.094 0.143 0.000 1.041 690 V CA 1.314 63.720 62.300 0.177 0.000 1.025 690 V CB -0.196 31.684 31.823 0.094 0.000 0.656 690 V HN 0.248 nan 8.190 nan 0.000 0.451 691 L N 0.172 121.462 121.223 0.113 0.000 2.261 691 L HA -0.169 4.160 4.340 -0.018 0.000 0.216 691 L C 1.907 178.819 176.870 0.069 0.000 1.114 691 L CA 1.833 56.725 54.840 0.086 0.000 0.777 691 L CB -0.809 41.290 42.059 0.068 0.000 0.910 691 L HN 0.317 nan 8.230 nan 0.000 0.440 692 D N -1.034 119.416 120.400 0.085 0.000 2.085 692 D HA -0.087 4.542 4.640 -0.018 0.000 0.199 692 D C 2.147 178.472 176.300 0.041 0.000 0.981 692 D CA 1.711 55.750 54.000 0.065 0.000 0.834 692 D CB -0.006 40.850 40.800 0.093 0.000 0.992 692 D HN 0.221 nan 8.370 nan 0.000 0.457 693 V N 1.201 121.148 119.914 0.055 0.000 2.720 693 V HA -0.167 3.942 4.120 -0.018 0.000 0.256 693 V C 2.316 178.426 176.094 0.026 0.000 1.082 693 V CA 1.581 63.900 62.300 0.030 0.000 1.101 693 V CB -0.715 31.083 31.823 -0.042 0.000 0.693 693 V HN 0.187 nan 8.190 nan 0.000 0.479 694 T N 0.923 115.514 114.554 0.062 0.000 2.809 694 T HA -0.126 4.213 4.350 -0.018 0.000 0.260 694 T C 1.663 176.244 174.700 -0.198 0.000 1.039 694 T CA 1.387 63.422 62.100 -0.109 0.000 1.141 694 T CB -0.214 68.719 68.868 0.110 0.000 0.869 694 T HN 0.725 nan 8.240 nan 0.000 0.437 695 K N 1.753 122.103 120.400 -0.083 0.000 2.551 695 K HA 0.107 4.416 4.320 -0.018 0.000 0.192 695 K C 1.899 178.443 176.600 -0.094 0.000 1.027 695 K CA 0.566 56.807 56.287 -0.077 0.000 1.059 695 K CB 0.141 32.625 32.500 -0.027 0.000 0.831 695 K HN 0.324 nan 8.250 nan 0.000 0.508 696 E N 1.450 121.573 120.200 -0.128 0.000 2.079 696 E HA -0.039 4.300 4.350 -0.018 0.000 0.191 696 E C 1.844 178.331 176.600 -0.189 0.000 0.961 696 E CA 0.847 57.171 56.400 -0.126 0.000 0.823 696 E CB -0.189 29.453 29.700 -0.097 0.000 0.789 696 E HN 0.317 nan 8.360 nan 0.000 0.459 697 A N 1.245 123.870 122.820 -0.325 0.000 2.076 697 A HA -0.183 4.126 4.320 -0.018 0.000 0.220 697 A C 2.014 179.414 177.584 -0.306 0.000 1.160 697 A CA 1.483 53.281 52.037 -0.398 0.000 0.653 697 A CB -0.463 18.062 19.000 -0.791 0.000 0.801 697 A HN 0.392 nan 8.150 nan 0.000 0.455 698 Q N -1.227 118.418 119.800 -0.259 0.000 2.403 698 Q HA 0.271 4.600 4.340 -0.018 0.000 0.203 698 Q C 1.972 177.904 176.000 -0.114 0.000 0.932 698 Q CA 0.456 56.156 55.803 -0.173 0.000 0.945 698 Q CB 0.020 28.675 28.738 -0.139 0.000 1.045 698 Q HN 0.690 nan 8.270 nan 0.000 0.511 699 A N 1.922 124.675 122.820 -0.111 0.000 1.887 699 A HA -0.101 4.208 4.320 -0.018 0.000 0.210 699 A C 1.615 179.162 177.584 -0.062 0.000 1.221 699 A CA 1.400 53.392 52.037 -0.074 0.000 0.635 699 A CB -0.220 18.740 19.000 -0.067 0.000 0.881 699 A HN 0.523 nan 8.150 nan 0.000 0.456 700 N N -0.497 118.162 118.700 -0.069 0.000 2.317 700 N HA 0.126 4.855 4.740 -0.018 0.000 0.199 700 N C 0.585 176.048 175.510 -0.078 0.000 1.145 700 N CA 0.125 53.119 53.050 -0.094 0.000 0.882 700 N CB -0.524 37.894 38.487 -0.115 0.000 1.113 700 N HN 0.359 nan 8.380 nan 0.000 0.486 701 L N -0.042 121.148 121.223 -0.055 0.000 2.694 701 L HA 0.271 4.600 4.340 -0.018 0.000 0.287 701 L C 0.425 177.273 176.870 -0.037 0.000 1.249 701 L CA -0.181 54.634 54.840 -0.042 0.000 1.177 701 L CB -0.172 41.869 42.059 -0.030 0.000 1.435 701 L HN 0.385 nan 8.230 nan 0.000 0.440 702 L N 1.078 122.274 121.223 -0.044 0.000 1.988 702 L HA -0.249 4.080 4.340 -0.018 0.000 0.496 702 L C 0.948 177.801 176.870 -0.029 0.000 0.715 702 L CA 1.901 56.712 54.840 -0.049 0.000 3.243 702 L CB -1.468 40.563 42.059 -0.047 0.000 0.660 702 L HN 0.757 nan 8.230 nan 0.000 0.775 703 T N 0.840 115.383 114.554 -0.018 0.000 3.453 703 T HA -0.092 4.247 4.350 -0.018 0.000 0.390 703 T C 0.744 175.443 174.700 -0.001 0.000 0.768 703 T CA 1.184 63.281 62.100 -0.006 0.000 1.922 703 T CB -2.344 66.525 68.868 0.001 0.000 1.745 703 T HN 1.785 nan 8.240 nan 0.000 0.649 704 A N 1.241 124.056 122.820 -0.009 0.000 2.519 704 A HA 0.166 4.475 4.320 -0.018 0.000 0.275 704 A C 0.882 178.473 177.584 0.012 0.000 1.082 704 A CA 0.513 52.546 52.037 -0.006 0.000 0.841 704 A CB -0.005 18.987 19.000 -0.014 0.000 0.984 704 A HN 0.634 nan 8.150 nan 0.000 0.531 705 K N 0.629 121.039 120.400 0.016 0.000 2.276 705 K HA 0.069 4.378 4.320 -0.018 0.000 0.259 705 K C 1.175 177.802 176.600 0.045 0.000 1.001 705 K CA 0.231 56.542 56.287 0.040 0.000 0.927 705 K CB 0.398 32.919 32.500 0.035 0.000 0.969 705 K HN 0.902 nan 8.250 nan 0.000 0.490 706 H N -0.140 118.928 119.070 -0.003 0.000 2.495 706 H HA 0.074 4.619 4.556 -0.018 0.000 0.287 706 H C 0.067 175.395 175.328 0.000 0.000 1.033 706 H CA 1.160 57.204 56.048 -0.006 0.000 1.307 706 H CB 0.412 30.166 29.762 -0.014 0.000 1.401 706 H HN 0.599 nan 8.280 nan 0.000 0.555 707 G N -0.810 107.787 108.800 -0.340 0.000 1.885 707 G HA2 0.394 4.344 3.960 -0.018 0.000 0.309 707 G HA3 0.394 4.344 3.960 -0.018 0.000 0.309 707 G C -0.315 174.501 174.900 -0.141 0.000 1.751 707 G CA -0.151 44.736 45.100 -0.355 0.000 0.949 707 G HN 0.308 nan 8.290 nan 0.000 0.564 708 M N -0.302 119.247 119.600 -0.084 0.000 3.050 708 M HA -0.158 4.311 4.480 -0.018 0.000 0.221 708 M C 1.046 177.316 176.300 -0.049 0.000 0.558 708 M CA 1.561 56.832 55.300 -0.048 0.000 0.848 708 M CB -1.588 30.998 32.600 -0.023 0.000 3.017 708 M HN 0.999 nan 8.290 nan 0.000 0.301 709 T N 0.834 115.337 114.554 -0.085 0.000 2.738 709 T HA 0.580 4.919 4.350 -0.018 0.000 0.294 709 T C 0.130 174.804 174.700 -0.043 0.000 0.914 709 T CA 0.049 62.113 62.100 -0.061 0.000 1.052 709 T CB 1.101 69.922 68.868 -0.079 0.000 0.897 709 T HN 1.311 nan 8.240 nan 0.000 0.522 710 L N 1.701 122.912 121.223 -0.020 0.000 1.872 710 L HA -0.051 4.278 4.340 -0.018 0.000 0.680 710 L C -0.364 176.502 176.870 -0.007 0.000 1.061 710 L CA -0.010 54.824 54.840 -0.010 0.000 1.398 710 L CB -1.016 41.032 42.059 -0.018 0.000 2.202 710 L HN 0.904 nan 8.230 nan 0.000 1.010 711 R N 3.411 123.914 120.500 0.004 0.000 2.351 711 R HA 0.453 4.782 4.340 -0.018 0.000 0.318 711 R C 0.832 177.141 176.300 0.016 0.000 1.055 711 R CA 0.999 57.109 56.100 0.018 0.000 0.968 711 R CB 0.631 30.950 30.300 0.033 0.000 0.974 711 R HN 0.775 nan 8.270 nan 0.000 0.439 712 E N 1.450 121.658 120.200 0.013 0.000 2.441 712 E HA 0.098 4.437 4.350 -0.018 0.000 0.207 712 E C -0.030 176.572 176.600 0.003 0.000 0.803 712 E CA 0.348 56.751 56.400 0.006 0.000 1.240 712 E CB 0.846 30.541 29.700 -0.009 0.000 1.233 712 E HN 0.620 nan 8.360 nan 0.000 0.590 713 S N -1.327 114.375 115.700 0.003 0.000 7.064 713 S HA -0.063 4.396 4.470 -0.018 0.000 0.075 713 S C -0.113 174.514 174.600 0.045 0.000 1.503 713 S CA -0.069 58.146 58.200 0.025 0.000 0.965 713 S CB -1.243 61.987 63.200 0.050 0.000 1.243 713 S HN 0.153 nan 8.310 nan 0.000 0.551 714 F N 2.878 122.778 119.950 -0.083 0.000 2.456 714 F HA 0.466 4.982 4.527 -0.018 0.000 0.298 714 F C 1.829 177.580 175.800 -0.082 0.000 1.104 714 F CA 1.576 59.510 58.000 -0.109 0.000 1.435 714 F CB 0.080 39.001 39.000 -0.132 0.000 1.078 714 F HN 0.329 nan 8.300 nan 0.000 0.546 715 E N 0.262 120.397 120.200 -0.109 0.000 2.502 715 E HA -0.113 4.226 4.350 -0.018 0.000 0.194 715 E C 0.951 177.466 176.600 -0.141 0.000 1.062 715 E CA 0.753 57.060 56.400 -0.156 0.000 0.867 715 E CB -0.062 29.637 29.700 -0.002 0.000 0.888 715 E HN 0.654 nan 8.360 nan 0.000 0.510 716 D N -0.548 119.778 120.400 -0.124 0.000 2.463 716 D HA -0.032 4.597 4.640 -0.018 0.000 0.237 716 D C 1.617 177.839 176.300 -0.129 0.000 1.013 716 D CA 0.217 54.160 54.000 -0.096 0.000 0.910 716 D CB -0.021 40.749 40.800 -0.050 0.000 1.080 716 D HN -0.068 nan 8.370 nan 0.000 0.498 717 N N 0.195 118.786 118.700 -0.181 0.000 2.021 717 N HA -0.172 4.557 4.740 -0.018 0.000 0.198 717 N C 1.661 176.998 175.510 -0.288 0.000 1.041 717 N CA 2.031 54.939 53.050 -0.236 0.000 0.862 717 N CB 0.010 38.335 38.487 -0.271 0.000 1.048 717 N HN 0.083 nan 8.380 nan 0.000 0.427 718 V N 0.941 120.611 119.914 -0.407 0.000 2.970 718 V HA -0.100 4.009 4.120 -0.018 0.000 0.260 718 V C 2.364 178.381 176.094 -0.129 0.000 1.100 718 V CA 0.582 62.693 62.300 -0.315 0.000 1.122 718 V CB -0.007 31.529 31.823 -0.479 0.000 0.721 718 V HN 0.144 nan 8.190 nan 0.000 0.483 719 V N 0.270 120.111 119.914 -0.122 0.000 2.255 719 V HA -0.293 3.816 4.120 -0.018 0.000 0.247 719 V C 2.630 178.738 176.094 0.024 0.000 1.051 719 V CA 2.270 64.544 62.300 -0.042 0.000 1.018 719 V CB -0.655 31.142 31.823 -0.043 0.000 0.641 719 V HN 0.482 nan 8.190 nan 0.000 0.445 720 R N -1.377 119.150 120.500 0.045 0.000 2.073 720 R HA -0.071 4.258 4.340 -0.018 0.000 0.229 720 R C 2.314 178.711 176.300 0.161 0.000 1.120 720 R CA 1.518 57.676 56.100 0.095 0.000 0.967 720 R CB -0.467 29.894 30.300 0.102 0.000 0.862 720 R HN 0.449 nan 8.270 nan 0.000 0.436 721 F N 0.960 120.870 119.950 -0.067 0.000 2.147 721 F HA -0.274 4.242 4.527 -0.018 0.000 0.301 721 F C 2.002 177.745 175.800 -0.095 0.000 1.084 721 F CA 1.029 58.982 58.000 -0.078 0.000 1.268 721 F CB 0.066 39.004 39.000 -0.104 0.000 1.009 721 F HN 0.014 nan 8.300 nan 0.000 0.486 722 L N -1.102 120.149 121.223 0.046 0.000 2.202 722 L HA -0.088 4.241 4.340 -0.018 0.000 0.205 722 L C 1.828 178.767 176.870 0.116 0.000 1.083 722 L CA 0.452 55.271 54.840 -0.034 0.000 0.790 722 L CB -0.562 41.422 42.059 -0.123 0.000 0.942 722 L HN 0.015 nan 8.230 nan 0.000 0.452 723 N N 0.105 118.869 118.700 0.107 0.000 2.520 723 N HA -0.147 4.583 4.740 -0.018 0.000 0.185 723 N C 1.501 177.059 175.510 0.079 0.000 1.068 723 N CA 0.839 53.953 53.050 0.107 0.000 0.911 723 N CB 0.200 38.738 38.487 0.085 0.000 0.961 723 N HN 0.476 nan 8.380 nan 0.000 0.446 724 E N 0.876 121.103 120.200 0.044 0.000 2.057 724 E HA 0.069 4.408 4.350 -0.018 0.000 0.190 724 E C 1.755 178.364 176.600 0.014 0.000 0.969 724 E CA 0.266 56.670 56.400 0.006 0.000 0.812 724 E CB 0.031 29.692 29.700 -0.064 0.000 0.777 724 E HN 0.216 nan 8.360 nan 0.000 0.455 725 A N 1.507 124.325 122.820 -0.004 0.000 2.139 725 A HA -0.218 4.091 4.320 -0.018 0.000 0.221 725 A C 2.003 179.649 177.584 0.103 0.000 1.159 725 A CA 1.355 53.405 52.037 0.021 0.000 0.662 725 A CB -0.436 18.555 19.000 -0.014 0.000 0.796 725 A HN 0.065 nan 8.150 nan 0.000 0.463 726 R N -0.661 119.921 120.500 0.137 0.000 2.075 726 R HA -0.051 4.279 4.340 -0.018 0.000 0.220 726 R C 0.732 177.130 176.300 0.163 0.000 1.118 726 R CA 1.286 57.471 56.100 0.141 0.000 0.986 726 R CB -0.084 30.304 30.300 0.147 0.000 0.884 726 R HN 0.390 nan 8.270 nan 0.000 0.439 727 D N 0.129 120.647 120.400 0.197 0.000 2.363 727 D HA -0.067 4.562 4.640 -0.018 0.000 0.220 727 D C 1.340 177.815 176.300 0.291 0.000 0.994 727 D CA 0.724 54.919 54.000 0.325 0.000 0.890 727 D CB 0.262 41.154 40.800 0.153 0.000 0.906 727 D HN 0.133 nan 8.370 nan 0.000 0.530 728 K N 0.777 121.272 120.400 0.159 0.000 2.067 728 K HA 0.147 4.456 4.320 -0.018 0.000 0.203 728 K C 1.902 178.566 176.600 0.106 0.000 1.048 728 K CA 0.899 57.255 56.287 0.114 0.000 0.954 728 K CB -0.092 32.436 32.500 0.048 0.000 0.737 728 K HN -0.019 nan 8.250 nan 0.000 0.444 729 A N 0.464 123.330 122.820 0.077 0.000 1.930 729 A HA -0.003 4.306 4.320 -0.018 0.000 0.217 729 A C 2.331 179.900 177.584 -0.025 0.000 1.175 729 A CA 1.726 53.779 52.037 0.028 0.000 0.627 729 A CB -1.303 17.710 19.000 0.021 0.000 0.815 729 A HN 0.508 nan 8.150 nan 0.000 0.443 730 G N -0.666 108.108 108.800 -0.043 0.000 2.418 730 G HA2 -0.217 3.732 3.960 -0.018 0.000 0.217 730 G HA3 -0.217 3.732 3.960 -0.018 0.000 0.217 730 G C 1.809 176.508 174.900 -0.335 0.000 1.158 730 G CA 0.878 45.743 45.100 -0.392 0.000 0.771 730 G HN 0.537 nan 8.290 nan 0.000 0.545 731 R N -0.514 120.086 120.500 0.166 0.000 2.073 731 R HA 0.216 4.545 4.340 -0.018 0.000 0.229 731 R C 2.530 178.880 176.300 0.085 0.000 1.120 731 R CA 0.398 56.645 56.100 0.244 0.000 0.967 731 R CB -0.439 30.044 30.300 0.304 0.000 0.862 731 R HN 0.282 nan 8.270 nan 0.000 0.436 732 L N 0.386 121.642 121.223 0.055 0.000 2.450 732 L HA -0.086 4.243 4.340 -0.018 0.000 0.224 732 L C 1.117 177.986 176.870 -0.002 0.000 1.149 732 L CA 0.503 55.358 54.840 0.025 0.000 0.816 732 L CB -0.083 41.989 42.059 0.021 0.000 0.932 732 L HN 0.165 nan 8.230 nan 0.000 0.449 733 A N -1.155 121.645 122.820 -0.035 0.000 2.965 733 A HA 0.181 4.490 4.320 -0.018 0.000 0.304 733 A C 1.143 178.686 177.584 -0.068 0.000 1.214 733 A CA -0.277 51.727 52.037 -0.056 0.000 0.977 733 A CB 0.088 19.039 19.000 -0.082 0.000 1.127 733 A HN 0.370 nan 8.150 nan 0.000 0.572 734 E N -1.312 118.873 120.200 -0.025 0.000 2.489 734 E HA 0.063 4.402 4.350 -0.018 0.000 0.208 734 E C 1.069 177.682 176.600 0.021 0.000 0.814 734 E CA 0.548 56.947 56.400 -0.002 0.000 1.348 734 E CB 0.556 30.279 29.700 0.039 0.000 1.334 734 E HN 0.212 nan 8.360 nan 0.000 0.672 735 V N 2.238 122.167 119.914 0.026 0.000 2.358 735 V HA -0.231 3.878 4.120 -0.018 0.000 0.246 735 V C 1.985 178.089 176.094 0.017 0.000 1.047 735 V CA 1.739 64.054 62.300 0.025 0.000 1.035 735 V CB -0.576 31.264 31.823 0.027 0.000 0.658 735 V HN 0.314 nan 8.190 nan 0.000 0.452 736 N N 0.529 119.235 118.700 0.010 0.000 2.192 736 N HA -0.103 4.626 4.740 -0.018 0.000 0.188 736 N C 0.719 176.234 175.510 0.008 0.000 1.013 736 N CA 0.890 53.944 53.050 0.006 0.000 0.863 736 N CB -0.448 38.038 38.487 -0.001 0.000 0.990 736 N HN 0.420 nan 8.380 nan 0.000 0.430 737 L N 3.179 124.407 121.223 0.008 0.000 2.433 737 L HA 0.085 4.414 4.340 -0.018 0.000 0.284 737 L C 0.835 177.718 176.870 0.020 0.000 1.120 737 L CA -0.396 54.452 54.840 0.013 0.000 0.879 737 L CB 0.149 42.216 42.059 0.012 0.000 1.232 737 L HN -0.027 nan 8.230 nan 0.000 0.454 738 K N 1.891 122.304 120.400 0.022 0.000 2.188 738 K HA 0.030 4.339 4.320 -0.018 0.000 0.246 738 K C 0.271 176.888 176.600 0.028 0.000 1.026 738 K CA -0.528 55.773 56.287 0.024 0.000 0.871 738 K CB 0.725 33.239 32.500 0.023 0.000 1.042 738 K HN 0.377 nan 8.250 nan 0.000 0.509 739 D N 0.459 120.875 120.400 0.026 0.000 2.309 739 D HA -0.094 4.536 4.640 -0.018 0.000 0.212 739 D C 1.707 178.029 176.300 0.037 0.000 0.968 739 D CA 1.095 55.111 54.000 0.026 0.000 0.882 739 D CB -0.184 40.627 40.800 0.018 0.000 0.918 739 D HN 0.500 nan 8.370 nan 0.000 0.503 740 L N -1.411 119.839 121.223 0.045 0.000 2.554 740 L HA 0.232 4.561 4.340 -0.018 0.000 0.225 740 L C 0.693 177.614 176.870 0.085 0.000 1.104 740 L CA -0.320 54.558 54.840 0.064 0.000 0.866 740 L CB -0.800 41.292 42.059 0.056 0.000 1.047 740 L HN -0.304 nan 8.230 nan 0.000 0.468 741 N N 2.235 120.975 118.700 0.068 0.000 2.394 741 N HA -0.102 4.627 4.740 -0.018 0.000 0.282 741 N C 0.923 176.501 175.510 0.113 0.000 1.351 741 N CA -0.034 53.057 53.050 0.069 0.000 0.936 741 N CB 0.159 38.673 38.487 0.045 0.000 1.274 741 N HN 0.237 nan 8.380 nan 0.000 0.489 742 N N 2.388 121.170 118.700 0.136 0.000 2.322 742 N HA -0.160 4.570 4.740 -0.018 0.000 0.189 742 N C 1.148 176.798 175.510 0.234 0.000 1.012 742 N CA 0.899 54.092 53.050 0.239 0.000 0.880 742 N CB 0.098 38.605 38.487 0.033 0.000 0.967 742 N HN 0.353 nan 8.380 nan 0.000 0.439 743 V N 0.682 120.667 119.914 0.119 0.000 2.331 743 V HA -0.108 4.001 4.120 -0.018 0.000 0.242 743 V C 2.367 178.525 176.094 0.108 0.000 1.034 743 V CA 1.113 63.474 62.300 0.101 0.000 1.027 743 V CB -0.479 31.370 31.823 0.043 0.000 0.667 743 V HN 0.192 nan 8.190 nan 0.000 0.457 744 K N 0.116 120.565 120.400 0.081 0.000 2.113 744 K HA -0.258 4.051 4.320 -0.018 0.000 0.208 744 K C 2.324 178.964 176.600 0.066 0.000 1.047 744 K CA 1.641 57.966 56.287 0.063 0.000 0.928 744 K CB -0.117 32.411 32.500 0.047 0.000 0.716 744 K HN 0.523 nan 8.250 nan 0.000 0.446 745 Q N 0.015 119.866 119.800 0.085 0.000 2.045 745 Q HA -0.222 4.108 4.340 -0.018 0.000 0.206 745 Q C 2.066 178.084 176.000 0.029 0.000 0.991 745 Q CA 1.871 57.692 55.803 0.030 0.000 0.851 745 Q CB -0.373 28.351 28.738 -0.023 0.000 0.911 745 Q HN 0.492 nan 8.270 nan 0.000 0.418 746 M N 0.235 119.899 119.600 0.107 0.000 2.557 746 M HA -0.077 4.393 4.480 -0.018 0.000 0.259 746 M C 1.984 178.328 176.300 0.074 0.000 1.086 746 M CA 0.596 55.960 55.300 0.107 0.000 1.096 746 M CB 0.115 32.823 32.600 0.180 0.000 1.424 746 M HN -0.015 nan 8.290 nan 0.000 0.488 747 V N -0.379 119.575 119.914 0.068 0.000 2.436 747 V HA -0.094 4.015 4.120 -0.018 0.000 0.240 747 V C 2.198 178.320 176.094 0.047 0.000 1.040 747 V CA 1.120 63.457 62.300 0.062 0.000 1.052 747 V CB -0.424 31.439 31.823 0.066 0.000 0.707 747 V HN 0.416 nan 8.190 nan 0.000 0.469 748 M N 0.439 120.061 119.600 0.037 0.000 2.149 748 M HA -0.189 4.280 4.480 -0.018 0.000 0.261 748 M C 2.237 178.540 176.300 0.005 0.000 1.064 748 M CA 2.219 57.532 55.300 0.020 0.000 1.102 748 M CB -0.461 32.145 32.600 0.010 0.000 1.369 748 M HN 0.440 nan 8.290 nan 0.000 0.408 749 A N -0.526 122.294 122.820 -0.001 0.000 1.930 749 A HA 0.257 4.566 4.320 -0.018 0.000 0.215 749 A C 1.713 179.301 177.584 0.007 0.000 1.176 749 A CA 1.129 53.160 52.037 -0.011 0.000 0.632 749 A CB -0.740 18.244 19.000 -0.026 0.000 0.819 749 A HN 0.625 nan 8.150 nan 0.000 0.445 750 G N -0.235 108.579 108.800 0.024 0.000 2.212 750 G HA2 -0.248 3.701 3.960 -0.018 0.000 0.255 750 G HA3 -0.248 3.701 3.960 -0.018 0.000 0.255 750 G C 0.932 175.853 174.900 0.035 0.000 1.062 750 G CA 1.249 46.368 45.100 0.032 0.000 0.815 750 G HN 1.369 nan 8.290 nan 0.000 0.497 751 S N -1.205 114.521 115.700 0.045 0.000 2.357 751 S HA 0.240 4.699 4.470 -0.018 0.000 0.221 751 S C 0.924 175.560 174.600 0.060 0.000 1.031 751 S CA 1.604 59.837 58.200 0.055 0.000 0.982 751 S CB 0.474 63.717 63.200 0.072 0.000 0.853 751 S HN 0.643 nan 8.310 nan 0.000 0.458 752 K N -0.183 120.258 120.400 0.069 0.000 2.557 752 K HA 0.516 4.825 4.320 -0.018 0.000 0.261 752 K C -0.474 176.172 176.600 0.077 0.000 0.932 752 K CA -0.033 56.295 56.287 0.068 0.000 0.829 752 K CB 1.902 34.446 32.500 0.072 0.000 1.358 752 K HN 0.539 nan 8.250 nan 0.000 0.430 753 G N 1.043 109.892 108.800 0.082 0.000 2.781 753 G HA2 -0.119 3.830 3.960 -0.018 0.000 0.683 753 G HA3 -0.119 3.830 3.960 -0.018 0.000 0.683 753 G C -0.417 174.539 174.900 0.093 0.000 1.390 753 G CA -0.083 45.077 45.100 0.100 0.000 0.850 753 G HN 0.961 nan 8.290 nan 0.000 0.557 754 S N -1.210 114.555 115.700 0.110 0.000 3.287 754 S HA 0.717 5.176 4.470 -0.018 0.000 0.324 754 S C 1.053 175.739 174.600 0.144 0.000 1.205 754 S CA 0.537 58.814 58.200 0.128 0.000 1.020 754 S CB 0.419 63.705 63.200 0.143 0.000 1.398 754 S HN 1.804 nan 8.310 nan 0.000 0.679 755 F N 1.880 121.851 119.950 0.034 0.000 2.025 755 F HA -0.073 4.443 4.527 -0.018 0.000 0.297 755 F C 2.138 177.946 175.800 0.015 0.000 1.132 755 F CA 2.289 60.304 58.000 0.024 0.000 1.191 755 F CB -0.367 38.647 39.000 0.024 0.000 0.963 755 F HN 0.431 nan 8.300 nan 0.000 0.481 756 I N 0.938 121.665 120.570 0.262 0.000 2.151 756 I HA -0.368 3.791 4.170 -0.018 0.000 0.243 756 I C 2.151 178.228 176.117 -0.067 0.000 1.080 756 I CA 1.559 62.919 61.300 0.101 0.000 1.339 756 I CB -1.795 36.285 38.000 0.134 0.000 1.039 756 I HN 0.341 nan 8.210 nan 0.000 0.409 757 N N 1.055 119.734 118.700 -0.036 0.000 2.037 757 N HA -0.213 4.516 4.740 -0.018 0.000 0.196 757 N C 1.897 177.362 175.510 -0.075 0.000 1.034 757 N CA 1.498 54.512 53.050 -0.059 0.000 0.861 757 N CB -0.147 38.351 38.487 0.019 0.000 1.039 757 N HN 0.299 nan 8.380 nan 0.000 0.427 758 I N 1.526 122.031 120.570 -0.108 0.000 2.202 758 I HA -0.172 3.987 4.170 -0.018 0.000 0.242 758 I C 2.538 178.547 176.117 -0.180 0.000 1.091 758 I CA 0.606 61.822 61.300 -0.139 0.000 1.368 758 I CB -1.388 36.504 38.000 -0.180 0.000 1.058 758 I HN 0.024 nan 8.210 nan 0.000 0.410 759 A N 0.805 123.453 122.820 -0.287 0.000 1.870 759 A HA -0.305 4.004 4.320 -0.018 0.000 0.219 759 A C 2.220 179.711 177.584 -0.156 0.000 1.224 759 A CA 2.191 54.066 52.037 -0.269 0.000 0.650 759 A CB -0.984 17.857 19.000 -0.265 0.000 0.836 759 A HN 0.554 nan 8.150 nan 0.000 0.454 760 Q N -1.297 118.430 119.800 -0.121 0.000 2.124 760 Q HA -0.108 4.221 4.340 -0.018 0.000 0.202 760 Q C 2.228 178.234 176.000 0.010 0.000 0.977 760 Q CA 1.530 57.273 55.803 -0.101 0.000 0.850 760 Q CB -0.271 28.453 28.738 -0.023 0.000 0.901 760 Q HN 0.710 nan 8.270 nan 0.000 0.429 761 M N -0.419 119.221 119.600 0.066 0.000 2.319 761 M HA -0.085 4.384 4.480 -0.018 0.000 0.265 761 M C 1.456 177.775 176.300 0.031 0.000 1.068 761 M CA 1.126 56.493 55.300 0.111 0.000 1.118 761 M CB 0.264 32.885 32.600 0.035 0.000 1.395 761 M HN 0.081 nan 8.290 nan 0.000 0.435 762 S N -1.167 114.513 115.700 -0.033 0.000 2.613 762 S HA 0.315 4.774 4.470 -0.018 0.000 0.235 762 S C 1.417 175.982 174.600 -0.059 0.000 1.073 762 S CA 0.243 58.417 58.200 -0.044 0.000 0.899 762 S CB 0.615 63.782 63.200 -0.056 0.000 0.818 762 S HN 0.439 nan 8.310 nan 0.000 0.484 763 A N 1.088 123.857 122.820 -0.086 0.000 2.283 763 A HA 0.614 4.923 4.320 -0.018 0.000 0.225 763 A C 0.722 178.244 177.584 -0.105 0.000 2.109 763 A CA 0.779 52.767 52.037 -0.081 0.000 0.889 763 A CB -0.370 18.582 19.000 -0.079 0.000 1.437 763 A HN 0.872 nan 8.150 nan 0.000 0.595 764 C N -1.728 117.485 119.300 -0.145 0.000 3.171 764 C HA 0.594 5.043 4.460 -0.018 0.000 0.336 764 C C 1.263 176.071 174.990 -0.304 0.000 1.198 764 C CA -0.112 58.768 59.018 -0.230 0.000 1.319 764 C CB 0.738 28.361 27.740 -0.196 0.000 1.682 764 C HN 1.285 nan 8.230 nan 0.000 0.497 765 V N 1.768 121.414 119.914 -0.447 0.000 2.548 765 V HA 0.553 4.662 4.120 -0.018 0.000 0.249 765 V C 1.304 177.180 176.094 -0.362 0.000 1.055 765 V CA 2.123 64.143 62.300 -0.467 0.000 1.065 765 V CB -1.095 30.305 31.823 -0.705 0.000 0.681 765 V HN 2.921 nan 8.190 nan 0.000 0.462 766 G N -0.048 108.453 108.800 -0.497 0.000 2.566 766 G HA2 -0.145 3.804 3.960 -0.018 0.000 0.599 766 G HA3 -0.145 3.804 3.960 -0.018 0.000 0.599 766 G C -0.633 174.034 174.900 -0.387 0.000 1.292 766 G CA -0.040 44.798 45.100 -0.437 0.000 0.922 766 G HN 0.988 nan 8.290 nan 0.000 0.514 767 Q N 0.487 120.275 119.800 -0.019 0.000 2.300 767 Q HA 0.430 4.759 4.340 -0.018 0.000 0.262 767 Q C 0.623 176.646 176.000 0.038 0.000 1.109 767 Q CA 0.164 56.040 55.803 0.122 0.000 0.905 767 Q CB 0.414 29.317 28.738 0.275 0.000 1.280 767 Q HN 0.491 nan 8.270 nan 0.000 0.426 768 Q N 1.718 121.524 119.800 0.010 0.000 2.364 768 Q HA 0.257 4.586 4.340 -0.018 0.000 0.267 768 Q C -0.577 175.435 176.000 0.021 0.000 0.999 768 Q CA 0.173 56.006 55.803 0.050 0.000 0.886 768 Q CB 1.312 30.110 28.738 0.101 0.000 1.243 768 Q HN 0.789 nan 8.270 nan 0.000 0.415 769 S N 0.242 115.959 115.700 0.028 0.000 2.599 769 S HA 0.705 5.164 4.470 -0.018 0.000 0.287 769 S C -1.034 173.565 174.600 -0.000 0.000 1.105 769 S CA -0.796 57.405 58.200 0.001 0.000 0.899 769 S CB 1.771 64.977 63.200 0.009 0.000 1.100 769 S HN 0.228 nan 8.310 nan 0.000 0.482 770 V N 2.612 122.516 119.914 -0.018 0.000 2.444 770 V HA 0.491 4.600 4.120 -0.018 0.000 0.294 770 V C -0.187 175.900 176.094 -0.013 0.000 1.022 770 V CA -0.426 61.864 62.300 -0.017 0.000 0.850 770 V CB 0.740 32.548 31.823 -0.025 0.000 0.992 770 V HN 1.162 nan 8.190 nan 0.000 0.426 771 E N 3.838 124.036 120.200 -0.004 0.000 2.440 771 E HA -0.290 4.049 4.350 -0.018 0.000 0.246 771 E C 1.229 177.830 176.600 0.002 0.000 1.165 771 E CA 0.628 57.028 56.400 0.001 0.000 0.726 771 E CB -1.269 28.430 29.700 -0.001 0.000 1.271 771 E HN 1.469 nan 8.360 nan 0.000 0.397 772 G N 0.097 108.900 108.800 0.005 0.000 2.184 772 G HA2 -0.404 3.545 3.960 -0.018 0.000 0.264 772 G HA3 -0.404 3.545 3.960 -0.018 0.000 0.264 772 G C 0.187 175.083 174.900 -0.007 0.000 0.975 772 G CA 0.905 46.009 45.100 0.006 0.000 0.642 772 G HN 0.342 nan 8.290 nan 0.000 0.536 773 K N 0.724 121.112 120.400 -0.020 0.000 2.378 773 K HA 0.497 4.806 4.320 -0.018 0.000 0.252 773 K C 1.191 177.751 176.600 -0.066 0.000 0.931 773 K CA -1.169 55.094 56.287 -0.041 0.000 0.794 773 K CB 1.032 33.509 32.500 -0.038 0.000 1.181 773 K HN 0.418 nan 8.250 nan 0.000 0.425 774 R N 3.729 124.174 120.500 -0.092 0.000 2.740 774 R HA 0.002 4.331 4.340 -0.018 0.000 0.263 774 R C 0.209 176.395 176.300 -0.189 0.000 0.997 774 R CA -0.312 55.709 56.100 -0.132 0.000 1.108 774 R CB -0.117 30.090 30.300 -0.155 0.000 0.969 774 R HN 0.455 nan 8.270 nan 0.000 0.431 775 I N 1.453 121.891 120.570 -0.219 0.000 3.114 775 I HA -0.197 3.962 4.170 -0.018 0.000 0.320 775 I C 1.029 176.997 176.117 -0.247 0.000 1.230 775 I CA 0.785 61.964 61.300 -0.202 0.000 1.440 775 I CB -1.077 36.748 38.000 -0.293 0.000 1.334 775 I HN 0.777 nan 8.210 nan 0.000 0.532 776 A N 7.977 130.717 122.820 -0.133 0.000 2.445 776 A HA 0.276 4.585 4.320 -0.018 0.000 0.242 776 A C -0.063 177.488 177.584 -0.054 0.000 1.075 776 A CA -0.309 51.657 52.037 -0.119 0.000 0.777 776 A CB 0.046 19.031 19.000 -0.025 0.000 1.013 776 A HN 0.569 nan 8.150 nan 0.000 0.493 777 F N 2.011 121.960 119.950 -0.001 0.000 2.487 777 F HA 0.265 4.781 4.527 -0.018 0.000 0.364 777 F C 1.599 177.425 175.800 0.042 0.000 1.126 777 F CA 0.299 58.317 58.000 0.031 0.000 1.135 777 F CB 0.901 39.905 39.000 0.006 0.000 1.127 777 F HN 0.787 nan 8.300 nan 0.000 0.559 778 G N 4.682 113.636 108.800 0.257 0.000 2.508 778 G HA2 -0.023 3.926 3.960 -0.018 0.000 0.212 778 G HA3 -0.023 3.926 3.960 -0.018 0.000 0.212 778 G C 0.296 175.201 174.900 0.008 0.000 1.206 778 G CA -0.236 44.892 45.100 0.046 0.000 0.822 778 G HN 0.368 nan 8.290 nan 0.000 0.550 779 F N 0.847 120.894 119.950 0.161 0.000 2.545 779 F HA 0.250 4.766 4.527 -0.018 0.000 0.348 779 F C 0.850 176.664 175.800 0.025 0.000 1.163 779 F CA -0.654 57.400 58.000 0.090 0.000 1.331 779 F CB 0.805 39.862 39.000 0.096 0.000 1.138 779 F HN -0.193 nan 8.300 nan 0.000 0.602 780 V N 3.262 123.290 119.914 0.190 0.000 2.434 780 V HA -0.062 4.047 4.120 -0.018 0.000 0.281 780 V C 0.054 176.094 176.094 -0.089 0.000 1.005 780 V CA 0.045 62.370 62.300 0.041 0.000 1.089 780 V CB -0.251 31.596 31.823 0.039 0.000 0.978 780 V HN 0.857 nan 8.190 nan 0.000 0.474 781 D N 2.756 122.990 120.400 -0.276 0.000 2.983 781 D HA -0.190 4.439 4.640 -0.018 0.000 0.225 781 D C 0.465 176.206 176.300 -0.932 0.000 1.174 781 D CA 1.657 55.291 54.000 -0.611 0.000 0.831 781 D CB -0.490 40.144 40.800 -0.276 0.000 1.104 781 D HN 0.971 nan 8.370 nan 0.000 0.421 782 R N -3.610 116.439 120.500 -0.752 0.000 2.733 782 R HA 0.640 4.969 4.340 -0.018 0.000 0.272 782 R C 0.509 177.118 176.300 0.515 0.000 1.029 782 R CA -0.831 55.136 56.100 -0.223 0.000 0.888 782 R CB 0.458 30.779 30.300 0.036 0.000 1.251 782 R HN -0.222 nan 8.270 nan 0.000 0.464 783 T N -0.057 114.945 114.554 0.747 0.000 2.983 783 T HA 0.304 4.643 4.350 -0.018 0.000 0.250 783 T C 0.603 175.871 174.700 0.945 0.000 1.037 783 T CA 0.425 62.984 62.100 0.766 0.000 1.142 783 T CB 0.034 69.198 68.868 0.493 0.000 0.876 783 T HN 0.258 nan 8.240 nan 0.000 0.455 784 L N 0.665 122.410 121.223 0.870 0.000 2.409 784 L HA 0.395 4.724 4.340 -0.018 0.000 0.255 784 L C -2.319 174.554 176.870 0.004 0.000 1.027 784 L CA -2.398 52.802 54.840 0.599 0.000 0.834 784 L CB 2.746 45.209 42.059 0.674 0.000 1.426 784 L HN -0.192 nan 8.230 nan 0.000 0.411 785 P HA 0.117 nan 4.420 nan 0.000 0.244 785 P C 0.124 177.082 177.300 -0.570 0.000 1.632 785 P CA 0.349 63.114 63.100 -0.559 0.000 0.944 785 P CB -0.071 31.213 31.700 -0.693 0.000 1.569 786 H N -1.541 117.376 119.070 -0.255 0.000 2.885 786 H HA 0.250 4.795 4.556 -0.018 0.000 0.260 786 H C 0.375 175.444 175.328 -0.431 0.000 0.985 786 H CA 0.094 55.912 56.048 -0.384 0.000 1.210 786 H CB 0.271 29.717 29.762 -0.527 0.000 1.466 786 H HN 0.179 nan 8.280 nan 0.000 0.493 787 F N 1.249 121.281 119.950 0.138 0.000 2.440 787 F HA 0.326 4.842 4.527 -0.018 0.000 0.328 787 F C 0.876 176.703 175.800 0.045 0.000 1.070 787 F CA -1.003 57.068 58.000 0.118 0.000 1.011 787 F CB 1.170 40.276 39.000 0.176 0.000 1.226 787 F HN -0.250 nan 8.300 nan 0.000 0.491 788 S N 0.711 116.563 115.700 0.253 0.000 2.565 788 S HA 0.186 4.645 4.470 -0.018 0.000 0.274 788 S C -0.249 174.416 174.600 0.107 0.000 1.309 788 S CA -0.980 57.297 58.200 0.128 0.000 1.043 788 S CB 0.608 63.873 63.200 0.108 0.000 0.939 788 S HN 0.415 nan 8.310 nan 0.000 0.504 789 K N 2.255 122.674 120.400 0.032 0.000 2.550 789 K HA -0.062 4.247 4.320 -0.018 0.000 0.280 789 K C -0.539 176.049 176.600 -0.019 0.000 0.987 789 K CA 0.671 56.936 56.287 -0.036 0.000 1.048 789 K CB -0.025 32.442 32.500 -0.055 0.000 0.879 789 K HN 0.592 nan 8.250 nan 0.000 0.491 790 D N 2.498 122.834 120.400 -0.107 0.000 3.293 790 D HA -0.152 4.477 4.640 -0.018 0.000 0.252 790 D C -1.141 175.264 176.300 0.175 0.000 1.073 790 D CA 0.785 54.808 54.000 0.039 0.000 0.957 790 D CB -0.507 40.366 40.800 0.121 0.000 0.987 790 D HN 0.537 nan 8.370 nan 0.000 0.422 791 D N 0.470 120.975 120.400 0.174 0.000 2.404 791 D HA 0.181 4.810 4.640 -0.018 0.000 0.267 791 D C 0.453 176.800 176.300 0.078 0.000 1.194 791 D CA -0.527 53.563 54.000 0.150 0.000 0.910 791 D CB 0.019 40.858 40.800 0.065 0.000 1.090 791 D HN 0.160 nan 8.370 nan 0.000 0.511 792 Y N 0.695 121.095 120.300 0.167 0.000 2.583 792 Y HA -0.002 4.537 4.550 -0.018 0.000 0.293 792 Y C 1.661 177.592 175.900 0.051 0.000 1.157 792 Y CA 0.046 58.229 58.100 0.139 0.000 1.315 792 Y CB -0.017 38.625 38.460 0.303 0.000 1.021 792 Y HN 0.228 nan 8.280 nan 0.000 0.536 793 S N 1.130 116.916 115.700 0.143 0.000 2.580 793 S HA 0.007 4.466 4.470 -0.018 0.000 0.266 793 S C -1.390 173.176 174.600 -0.057 0.000 1.354 793 S CA -1.021 57.213 58.200 0.056 0.000 1.008 793 S CB 0.864 64.101 63.200 0.060 0.000 0.898 793 S HN 0.045 nan 8.310 nan 0.000 0.555 794 P HA -0.176 nan 4.420 nan 0.000 0.215 794 P C 1.222 178.512 177.300 -0.017 0.000 1.157 794 P CA 1.548 64.599 63.100 -0.082 0.000 0.863 794 P CB -0.302 31.279 31.700 -0.197 0.000 0.787 795 E N -0.260 119.958 120.200 0.029 0.000 2.501 795 E HA -0.107 4.232 4.350 -0.018 0.000 0.203 795 E C 1.725 178.289 176.600 -0.061 0.000 1.072 795 E CA 1.025 57.484 56.400 0.098 0.000 0.885 795 E CB -0.441 29.358 29.700 0.166 0.000 0.813 795 E HN 0.225 nan 8.360 nan 0.000 0.556 796 S N -0.204 115.273 115.700 -0.372 0.000 2.619 796 S HA 0.107 4.566 4.470 -0.018 0.000 0.238 796 S C 1.342 175.485 174.600 -0.762 0.000 1.068 796 S CA -0.412 57.207 58.200 -0.968 0.000 0.926 796 S CB 0.382 62.975 63.200 -1.011 0.000 0.864 796 S HN 0.002 nan 8.310 nan 0.000 0.493 797 K N 1.294 121.365 120.400 -0.547 0.000 2.410 797 K HA 0.311 4.620 4.320 -0.018 0.000 0.200 797 K C 0.573 176.843 176.600 -0.550 0.000 1.023 797 K CA 0.602 56.551 56.287 -0.563 0.000 1.149 797 K CB 0.664 32.905 32.500 -0.432 0.000 0.859 797 K HN 0.494 nan 8.250 nan 0.000 0.514 798 G N 2.037 110.480 108.800 -0.595 0.000 2.427 798 G HA2 -0.222 3.727 3.960 -0.018 0.000 0.193 798 G HA3 -0.222 3.727 3.960 -0.018 0.000 0.193 798 G C -0.752 174.106 174.900 -0.071 0.000 1.086 798 G CA -0.682 44.147 45.100 -0.452 0.000 0.818 798 G HN 0.241 nan 8.290 nan 0.000 0.490 799 F N 1.225 121.093 119.950 -0.137 0.000 2.427 799 F HA 0.654 5.170 4.527 -0.018 0.000 0.346 799 F C 0.173 175.969 175.800 -0.008 0.000 1.120 799 F CA -1.004 56.959 58.000 -0.061 0.000 1.033 799 F CB 1.928 40.893 39.000 -0.058 0.000 1.126 799 F HN 0.071 nan 8.300 nan 0.000 0.462 800 V N 7.066 126.592 119.914 -0.647 0.000 2.277 800 V HA 0.127 4.236 4.120 -0.018 0.000 0.269 800 V C 0.922 176.666 176.094 -0.584 0.000 1.036 800 V CA -0.377 61.671 62.300 -0.420 0.000 0.821 800 V CB 0.910 32.525 31.823 -0.348 0.000 1.052 800 V HN 0.941 nan 8.190 nan 0.000 0.462 801 E N 3.551 123.626 120.200 -0.209 0.000 2.265 801 E HA -0.133 4.207 4.350 -0.018 0.000 0.196 801 E C 0.626 177.173 176.600 -0.089 0.000 0.996 801 E CA 0.673 57.061 56.400 -0.019 0.000 0.832 801 E CB 0.317 30.117 29.700 0.165 0.000 0.756 801 E HN 0.765 nan 8.360 nan 0.000 0.491 802 N N -0.025 118.593 118.700 -0.137 0.000 2.476 802 N HA 0.109 4.839 4.740 -0.018 0.000 0.275 802 N C -0.782 174.592 175.510 -0.227 0.000 1.190 802 N CA -0.209 52.762 53.050 -0.131 0.000 0.977 802 N CB 1.590 40.023 38.487 -0.090 0.000 1.200 802 N HN 0.017 nan 8.380 nan 0.000 0.515 803 S N -0.719 114.870 115.700 -0.184 0.000 2.745 803 S HA 0.332 4.791 4.470 -0.018 0.000 0.292 803 S C 0.533 175.003 174.600 -0.217 0.000 1.133 803 S CA -0.553 57.508 58.200 -0.232 0.000 0.998 803 S CB 0.373 63.505 63.200 -0.113 0.000 1.087 803 S HN 0.553 nan 8.310 nan 0.000 0.551 804 Y N -0.359 119.891 120.300 -0.083 0.000 2.293 804 Y HA -0.001 4.538 4.550 -0.018 0.000 0.291 804 Y C 2.171 178.052 175.900 -0.030 0.000 1.137 804 Y CA 0.712 58.779 58.100 -0.056 0.000 1.202 804 Y CB -0.189 38.234 38.460 -0.061 0.000 0.990 804 Y HN 0.546 nan 8.280 nan 0.000 0.537 805 L N 0.000 121.286 121.223 0.105 0.000 2.456 805 L HA -0.097 4.232 4.340 -0.018 0.000 0.224 805 L C 1.790 178.679 176.870 0.031 0.000 1.148 805 L CA 1.478 56.351 54.840 0.054 0.000 0.825 805 L CB -0.122 41.954 42.059 0.029 0.000 0.937 805 L HN 0.039 nan 8.230 nan 0.000 0.450 806 R N -0.697 119.812 120.500 0.016 0.000 2.250 806 R HA 0.369 4.698 4.340 -0.018 0.000 0.194 806 R C 0.384 176.694 176.300 0.018 0.000 0.927 806 R CA 0.467 56.570 56.100 0.006 0.000 1.052 806 R CB 0.413 30.704 30.300 -0.015 0.000 1.055 806 R HN 0.308 nan 8.270 nan 0.000 0.537 807 G N 2.151 110.970 108.800 0.031 0.000 3.450 807 G HA2 -0.206 3.744 3.960 -0.018 0.000 0.668 807 G HA3 -0.206 3.744 3.960 -0.018 0.000 0.668 807 G C -0.504 174.422 174.900 0.043 0.000 0.941 807 G CA -0.862 44.276 45.100 0.063 0.000 0.766 807 G HN 0.002 nan 8.290 nan 0.000 0.451 808 L N 1.524 122.777 121.223 0.050 0.000 2.517 808 L HA 0.357 4.686 4.340 -0.018 0.000 0.294 808 L C 1.934 178.867 176.870 0.105 0.000 1.264 808 L CA 1.358 56.231 54.840 0.054 0.000 0.839 808 L CB 0.167 42.281 42.059 0.092 0.000 1.098 808 L HN 1.014 nan 8.230 nan 0.000 0.525 809 T N -0.800 113.811 114.554 0.095 0.000 2.918 809 T HA 0.373 4.712 4.350 -0.018 0.000 0.283 809 T C -1.730 173.047 174.700 0.128 0.000 1.001 809 T CA -1.679 60.471 62.100 0.083 0.000 1.041 809 T CB 1.399 70.305 68.868 0.062 0.000 1.028 809 T HN 0.478 nan 8.240 nan 0.000 0.511 810 P HA -0.204 nan 4.420 nan 0.000 0.215 810 P C 1.372 178.693 177.300 0.036 0.000 1.157 810 P CA 1.464 64.570 63.100 0.011 0.000 0.874 810 P CB 0.069 31.694 31.700 -0.126 0.000 0.790 811 Q N 0.427 120.206 119.800 -0.035 0.000 2.029 811 Q HA -0.227 4.102 4.340 -0.018 0.000 0.209 811 Q C 2.328 178.458 176.000 0.216 0.000 0.999 811 Q CA 2.015 57.843 55.803 0.042 0.000 0.857 811 Q CB -0.826 27.995 28.738 0.138 0.000 0.926 811 Q HN 0.415 nan 8.270 nan 0.000 0.415 812 E N 0.044 120.437 120.200 0.322 0.000 2.051 812 E HA -0.189 4.150 4.350 -0.018 0.000 0.192 812 E C 1.724 178.505 176.600 0.301 0.000 0.991 812 E CA 1.007 57.640 56.400 0.388 0.000 0.799 812 E CB -0.279 29.550 29.700 0.215 0.000 0.748 812 E HN 0.275 nan 8.360 nan 0.000 0.449 813 F N 0.765 120.789 119.950 0.123 0.000 2.085 813 F HA -0.330 4.186 4.527 -0.018 0.000 0.299 813 F C 2.055 177.950 175.800 0.159 0.000 1.096 813 F CA 1.633 59.712 58.000 0.133 0.000 1.227 813 F CB -0.258 38.799 39.000 0.094 0.000 0.983 813 F HN 0.024 nan 8.300 nan 0.000 0.482 814 F N 0.023 120.055 119.950 0.137 0.000 2.171 814 F HA -0.165 4.351 4.527 -0.018 0.000 0.300 814 F C 1.899 177.632 175.800 -0.112 0.000 1.090 814 F CA 1.457 59.438 58.000 -0.031 0.000 1.293 814 F CB -0.949 37.928 39.000 -0.205 0.000 1.013 814 F HN 0.028 nan 8.300 nan 0.000 0.486 815 F N -1.213 118.803 119.950 0.110 0.000 2.113 815 F HA -0.199 4.317 4.527 -0.018 0.000 0.297 815 F C 2.660 178.416 175.800 -0.074 0.000 1.103 815 F CA 1.438 59.430 58.000 -0.014 0.000 1.248 815 F CB -0.875 38.180 39.000 0.091 0.000 0.999 815 F HN 0.022 nan 8.300 nan 0.000 0.475 816 H N 0.516 119.594 119.070 0.014 0.000 2.352 816 H HA -0.122 4.423 4.556 -0.018 0.000 0.299 816 H C 2.069 177.287 175.328 -0.183 0.000 1.097 816 H CA 1.300 57.289 56.048 -0.099 0.000 1.311 816 H CB -0.443 29.225 29.762 -0.156 0.000 1.377 816 H HN 0.163 nan 8.280 nan 0.000 0.504 817 A N 0.877 123.481 122.820 -0.361 0.000 1.841 817 A HA -0.254 4.055 4.320 -0.018 0.000 0.216 817 A C 2.591 179.963 177.584 -0.354 0.000 1.199 817 A CA 2.099 53.889 52.037 -0.411 0.000 0.621 817 A CB -0.982 17.818 19.000 -0.335 0.000 0.835 817 A HN 0.533 nan 8.150 nan 0.000 0.445 818 M N -0.819 118.544 119.600 -0.397 0.000 2.147 818 M HA -0.277 4.192 4.480 -0.018 0.000 0.253 818 M C 2.235 178.423 176.300 -0.187 0.000 1.075 818 M CA 1.935 57.043 55.300 -0.320 0.000 1.085 818 M CB -0.942 31.518 32.600 -0.233 0.000 1.305 818 M HN 0.590 nan 8.290 nan 0.000 0.409 819 G N -0.757 107.956 108.800 -0.144 0.000 2.434 819 G HA2 -0.100 3.849 3.960 -0.018 0.000 0.214 819 G HA3 -0.100 3.849 3.960 -0.018 0.000 0.214 819 G C 1.445 176.264 174.900 -0.136 0.000 1.202 819 G CA 0.967 46.009 45.100 -0.096 0.000 0.788 819 G HN 0.579 nan 8.290 nan 0.000 0.539 820 G N 0.994 109.650 108.800 -0.240 0.000 2.606 820 G HA2 -0.398 3.551 3.960 -0.018 0.000 0.221 820 G HA3 -0.398 3.551 3.960 -0.018 0.000 0.221 820 G C 1.864 176.640 174.900 -0.207 0.000 1.152 820 G CA 1.717 46.670 45.100 -0.245 0.000 0.765 820 G HN 0.526 nan 8.290 nan 0.000 0.595 821 R N 0.766 121.148 120.500 -0.197 0.000 2.113 821 R HA -0.124 4.205 4.340 -0.018 0.000 0.244 821 R C 2.403 178.623 176.300 -0.133 0.000 1.142 821 R CA 2.262 58.264 56.100 -0.163 0.000 0.953 821 R CB -0.775 29.441 30.300 -0.140 0.000 0.860 821 R HN 0.545 nan 8.270 nan 0.000 0.438 822 E N -1.455 118.683 120.200 -0.103 0.000 2.209 822 E HA -0.126 4.213 4.350 -0.018 0.000 0.196 822 E C 1.652 178.225 176.600 -0.045 0.000 0.993 822 E CA 1.151 57.515 56.400 -0.061 0.000 0.819 822 E CB -0.292 29.385 29.700 -0.038 0.000 0.745 822 E HN 0.624 nan 8.360 nan 0.000 0.477 823 G N 0.307 109.074 108.800 -0.055 0.000 2.408 823 G HA2 -0.174 3.775 3.960 -0.018 0.000 0.215 823 G HA3 -0.174 3.775 3.960 -0.018 0.000 0.215 823 G C 1.452 176.289 174.900 -0.104 0.000 1.156 823 G CA 0.164 45.256 45.100 -0.014 0.000 0.793 823 G HN 0.144 nan 8.290 nan 0.000 0.535 824 L N 0.533 121.619 121.223 -0.228 0.000 2.240 824 L HA 0.048 4.377 4.340 -0.018 0.000 0.211 824 L C 2.591 179.389 176.870 -0.121 0.000 1.106 824 L CA -0.096 54.596 54.840 -0.246 0.000 0.793 824 L CB -0.222 41.662 42.059 -0.293 0.000 0.927 824 L HN 0.053 nan 8.230 nan 0.000 0.446 825 I N 1.151 121.666 120.570 -0.091 0.000 2.091 825 I HA -0.321 3.838 4.170 -0.018 0.000 0.239 825 I C 2.081 178.178 176.117 -0.032 0.000 1.061 825 I CA 2.014 63.281 61.300 -0.055 0.000 1.317 825 I CB -1.229 36.743 38.000 -0.045 0.000 1.031 825 I HN 0.433 nan 8.210 nan 0.000 0.401 826 D N -0.924 119.465 120.400 -0.017 0.000 2.347 826 D HA -0.099 4.530 4.640 -0.018 0.000 0.215 826 D C 1.653 177.961 176.300 0.014 0.000 0.976 826 D CA 0.706 54.708 54.000 0.003 0.000 0.884 826 D CB -0.791 40.018 40.800 0.016 0.000 0.915 826 D HN 0.224 nan 8.370 nan 0.000 0.526 827 T N -0.729 113.832 114.554 0.011 0.000 3.035 827 T HA 0.113 4.452 4.350 -0.018 0.000 0.268 827 T C 1.774 176.477 174.700 0.006 0.000 1.109 827 T CA 1.056 63.172 62.100 0.027 0.000 1.119 827 T CB 0.048 68.927 68.868 0.019 0.000 0.900 827 T HN 0.418 nan 8.240 nan 0.000 0.503 828 A N -0.162 122.651 122.820 -0.010 0.000 2.138 828 A HA 0.509 4.818 4.320 -0.018 0.000 0.203 828 A C 2.015 179.593 177.584 -0.011 0.000 1.286 828 A CA 0.034 52.063 52.037 -0.013 0.000 0.929 828 A CB 0.406 19.392 19.000 -0.024 0.000 0.975 828 A HN 0.307 nan 8.150 nan 0.000 0.480 829 V N -0.701 119.207 119.914 -0.009 0.000 2.840 829 V HA 0.097 4.206 4.120 -0.018 0.000 0.234 829 V C 2.060 178.155 176.094 0.002 0.000 1.159 829 V CA 1.177 63.472 62.300 -0.008 0.000 1.194 829 V CB -0.368 31.447 31.823 -0.013 0.000 0.971 829 V HN 0.392 nan 8.190 nan 0.000 0.494 830 K N 0.335 120.740 120.400 0.007 0.000 2.362 830 K HA -0.128 4.181 4.320 -0.018 0.000 0.200 830 K C 1.992 178.605 176.600 0.022 0.000 1.046 830 K CA 1.526 57.822 56.287 0.016 0.000 0.952 830 K CB -0.118 32.392 32.500 0.017 0.000 0.753 830 K HN 0.504 nan 8.250 nan 0.000 0.466 831 T N 0.747 115.312 114.554 0.018 0.000 2.759 831 T HA -0.188 4.151 4.350 -0.018 0.000 0.269 831 T C 1.792 176.508 174.700 0.026 0.000 1.042 831 T CA 1.318 63.429 62.100 0.019 0.000 1.140 831 T CB -0.194 68.683 68.868 0.015 0.000 0.864 831 T HN 0.338 nan 8.240 nan 0.000 0.455 832 A N 1.732 124.565 122.820 0.023 0.000 1.834 832 A HA -0.177 4.132 4.320 -0.018 0.000 0.216 832 A C 2.169 179.800 177.584 0.079 0.000 1.203 832 A CA 1.824 53.880 52.037 0.031 0.000 0.621 832 A CB -0.897 18.101 19.000 -0.003 0.000 0.841 832 A HN 0.524 nan 8.150 nan 0.000 0.446 833 E N -1.477 118.768 120.200 0.075 0.000 2.136 833 E HA -0.290 4.049 4.350 -0.018 0.000 0.208 833 E C 2.176 178.858 176.600 0.137 0.000 1.035 833 E CA 2.058 58.536 56.400 0.130 0.000 0.838 833 E CB -0.363 29.389 29.700 0.085 0.000 0.748 833 E HN 0.681 nan 8.360 nan 0.000 0.459 834 T N -0.860 113.739 114.554 0.075 0.000 2.643 834 T HA -0.108 4.231 4.350 -0.018 0.000 0.264 834 T C 1.880 176.608 174.700 0.046 0.000 1.045 834 T CA 1.744 63.869 62.100 0.041 0.000 1.155 834 T CB -0.522 68.353 68.868 0.012 0.000 0.863 834 T HN 0.313 nan 8.240 nan 0.000 0.420 835 G N -0.981 107.852 108.800 0.054 0.000 2.527 835 G HA2 -0.165 3.785 3.960 -0.018 0.000 0.219 835 G HA3 -0.165 3.785 3.960 -0.018 0.000 0.219 835 G C 1.276 176.247 174.900 0.118 0.000 1.117 835 G CA 0.934 46.066 45.100 0.055 0.000 0.759 835 G HN 0.653 nan 8.290 nan 0.000 0.556 836 Y N 0.670 120.973 120.300 0.004 0.000 2.343 836 Y HA 0.159 4.698 4.550 -0.018 0.000 0.294 836 Y C 2.380 178.306 175.900 0.044 0.000 1.122 836 Y CA -0.216 57.894 58.100 0.017 0.000 1.173 836 Y CB -0.040 38.424 38.460 0.007 0.000 1.077 836 Y HN 0.060 nan 8.280 nan 0.000 0.542 837 I N 1.257 121.770 120.570 -0.095 0.000 2.194 837 I HA -0.365 3.794 4.170 -0.018 0.000 0.246 837 I C 2.463 178.504 176.117 -0.128 0.000 1.093 837 I CA 1.818 63.024 61.300 -0.157 0.000 1.355 837 I CB -1.465 36.503 38.000 -0.053 0.000 1.046 837 I HN 0.433 nan 8.210 nan 0.000 0.413 838 Q N 0.786 120.544 119.800 -0.069 0.000 1.993 838 Q HA -0.230 4.099 4.340 -0.018 0.000 0.202 838 Q C 2.498 178.474 176.000 -0.040 0.000 0.984 838 Q CA 1.687 57.455 55.803 -0.060 0.000 0.837 838 Q CB -0.214 28.497 28.738 -0.045 0.000 0.902 838 Q HN 0.280 nan 8.270 nan 0.000 0.423 839 R N -0.118 120.385 120.500 0.005 0.000 2.154 839 R HA -0.208 4.121 4.340 -0.018 0.000 0.248 839 R C 2.252 178.644 176.300 0.152 0.000 1.155 839 R CA 1.774 57.922 56.100 0.080 0.000 0.979 839 R CB 0.028 30.412 30.300 0.141 0.000 0.869 839 R HN 0.249 nan 8.270 nan 0.000 0.452 840 R N -0.083 120.467 120.500 0.083 0.000 2.060 840 R HA -0.060 4.269 4.340 -0.018 0.000 0.225 840 R C 2.410 178.674 176.300 -0.061 0.000 1.155 840 R CA 1.325 57.530 56.100 0.175 0.000 0.930 840 R CB -0.598 29.736 30.300 0.056 0.000 0.829 840 R HN 0.118 nan 8.270 nan 0.000 0.433 841 L N 0.511 121.663 121.223 -0.117 0.000 2.085 841 L HA -0.318 4.012 4.340 -0.018 0.000 0.218 841 L C 2.382 179.141 176.870 -0.185 0.000 1.080 841 L CA 1.374 56.108 54.840 -0.177 0.000 0.776 841 L CB -0.552 41.427 42.059 -0.134 0.000 0.891 841 L HN 0.115 nan 8.230 nan 0.000 0.437 842 V N -0.758 119.087 119.914 -0.115 0.000 2.255 842 V HA -0.294 3.815 4.120 -0.018 0.000 0.247 842 V C 2.514 178.533 176.094 -0.125 0.000 1.051 842 V CA 1.715 63.957 62.300 -0.097 0.000 1.018 842 V CB -0.492 31.306 31.823 -0.040 0.000 0.641 842 V HN 0.373 nan 8.190 nan 0.000 0.445 843 K N -0.173 120.162 120.400 -0.109 0.000 2.288 843 K HA 0.060 4.369 4.320 -0.018 0.000 0.201 843 K C 2.022 178.411 176.600 -0.351 0.000 1.048 843 K CA 1.213 57.415 56.287 -0.142 0.000 0.956 843 K CB -0.306 32.174 32.500 -0.033 0.000 0.746 843 K HN 0.491 nan 8.250 nan 0.000 0.461 844 A N 0.144 122.592 122.820 -0.620 0.000 2.072 844 A HA 0.065 4.374 4.320 -0.018 0.000 0.216 844 A C 1.903 179.137 177.584 -0.583 0.000 1.156 844 A CA 0.608 51.972 52.037 -1.122 0.000 0.701 844 A CB 0.010 18.048 19.000 -1.603 0.000 0.816 844 A HN 0.162 nan 8.150 nan 0.000 0.458 845 L N -2.825 118.186 121.223 -0.352 0.000 2.519 845 L HA 0.215 4.544 4.340 -0.018 0.000 0.194 845 L C 1.637 178.417 176.870 -0.151 0.000 1.072 845 L CA 0.671 55.380 54.840 -0.220 0.000 0.845 845 L CB -0.611 41.343 42.059 -0.174 0.000 1.138 845 L HN 0.447 nan 8.230 nan 0.000 0.487 846 E N 1.212 121.330 120.200 -0.137 0.000 3.676 846 E HA -0.413 3.926 4.350 -0.018 0.000 0.424 846 E C 0.756 177.309 176.600 -0.080 0.000 1.535 846 E CA 2.405 58.746 56.400 -0.097 0.000 1.478 846 E CB -0.918 28.728 29.700 -0.090 0.000 1.384 846 E HN 0.719 nan 8.360 nan 0.000 0.349 847 D N 0.898 121.256 120.400 -0.070 0.000 2.338 847 D HA -0.061 4.568 4.640 -0.018 0.000 0.239 847 D C 0.572 176.839 176.300 -0.054 0.000 1.095 847 D CA 0.223 54.188 54.000 -0.058 0.000 0.888 847 D CB -0.241 40.536 40.800 -0.038 0.000 0.899 847 D HN 0.163 nan 8.370 nan 0.000 0.525 848 I N 2.587 123.123 120.570 -0.057 0.000 2.455 848 I HA 0.056 4.215 4.170 -0.018 0.000 0.303 848 I C 0.643 176.735 176.117 -0.043 0.000 1.180 848 I CA 0.114 61.391 61.300 -0.038 0.000 1.469 848 I CB -1.032 36.942 38.000 -0.043 0.000 1.480 848 I HN 0.157 nan 8.210 nan 0.000 0.669 849 M N 4.516 124.071 119.600 -0.076 0.000 2.364 849 M HA 0.546 5.015 4.480 -0.018 0.000 0.334 849 M C -0.638 175.577 176.300 -0.141 0.000 1.107 849 M CA -0.776 54.438 55.300 -0.144 0.000 0.988 849 M CB 1.960 34.419 32.600 -0.234 0.000 1.673 849 M HN -0.087 nan 8.290 nan 0.000 0.441 850 V N 4.985 124.825 119.914 -0.124 0.000 2.434 850 V HA 0.028 4.137 4.120 -0.018 0.000 0.281 850 V C 0.753 176.757 176.094 -0.149 0.000 1.005 850 V CA 0.273 62.525 62.300 -0.080 0.000 1.089 850 V CB -1.278 30.473 31.823 -0.120 0.000 0.978 850 V HN 0.794 nan 8.190 nan 0.000 0.474 851 H N 3.579 122.609 119.070 -0.067 0.000 2.581 851 H HA 0.115 4.660 4.556 -0.018 0.000 0.369 851 H C 0.286 175.583 175.328 -0.053 0.000 1.351 851 H CA -0.022 55.995 56.048 -0.052 0.000 1.434 851 H CB 0.803 30.576 29.762 0.018 0.000 1.558 851 H HN 0.593 nan 8.280 nan 0.000 0.608 852 Y N 0.609 121.021 120.300 0.187 0.000 2.584 852 Y HA -0.104 4.435 4.550 -0.018 0.000 0.317 852 Y C 0.838 176.789 175.900 0.085 0.000 1.208 852 Y CA 0.267 58.433 58.100 0.110 0.000 1.299 852 Y CB 0.082 38.605 38.460 0.105 0.000 1.047 852 Y HN 0.534 nan 8.280 nan 0.000 0.506 853 D N -3.005 117.521 120.400 0.211 0.000 2.563 853 D HA 0.020 4.649 4.640 -0.018 0.000 0.237 853 D C 0.019 176.389 176.300 0.116 0.000 1.282 853 D CA -0.179 53.909 54.000 0.146 0.000 0.816 853 D CB -0.737 40.136 40.800 0.121 0.000 1.066 853 D HN 0.164 nan 8.370 nan 0.000 0.501 854 N N -0.599 118.162 118.700 0.101 0.000 2.800 854 N HA -0.169 4.560 4.740 -0.018 0.000 0.250 854 N C -0.634 174.938 175.510 0.105 0.000 1.078 854 N CA 1.189 54.287 53.050 0.080 0.000 0.804 854 N CB -1.467 37.062 38.487 0.068 0.000 1.135 854 N HN 0.363 nan 8.380 nan 0.000 0.565 855 T N 0.735 115.355 114.554 0.110 0.000 2.829 855 T HA 0.355 4.694 4.350 -0.018 0.000 0.282 855 T C -0.049 174.697 174.700 0.077 0.000 0.990 855 T CA 0.006 62.152 62.100 0.078 0.000 1.028 855 T CB 1.009 69.911 68.868 0.057 0.000 0.951 855 T HN 0.071 nan 8.240 nan 0.000 0.460 856 T N 6.881 121.447 114.554 0.019 0.000 2.832 856 T HA 0.490 4.829 4.350 -0.018 0.000 0.313 856 T C 0.188 174.894 174.700 0.009 0.000 1.035 856 T CA -0.693 61.437 62.100 0.050 0.000 0.950 856 T CB 0.249 69.144 68.868 0.046 0.000 0.984 856 T HN 0.515 nan 8.240 nan 0.000 0.486 857 R N 2.334 122.907 120.500 0.121 0.000 3.029 857 R HA 0.561 4.890 4.340 -0.018 0.000 0.239 857 R C 0.396 176.751 176.300 0.092 0.000 1.351 857 R CA -1.074 55.061 56.100 0.058 0.000 1.052 857 R CB 1.364 31.640 30.300 -0.039 0.000 1.354 857 R HN 0.738 nan 8.270 nan 0.000 0.499 858 N N -1.683 117.046 118.700 0.050 0.000 2.992 858 N HA 0.110 4.839 4.740 -0.018 0.000 0.338 858 N C 0.639 176.191 175.510 0.070 0.000 1.376 858 N CA -0.478 52.597 53.050 0.041 0.000 0.778 858 N CB 0.669 39.156 38.487 -0.000 0.000 1.232 858 N HN 0.437 nan 8.380 nan 0.000 0.581 859 S N -0.539 115.183 115.700 0.038 0.000 2.461 859 S HA 0.010 4.470 4.470 -0.018 0.000 0.228 859 S C 1.720 176.340 174.600 0.033 0.000 1.005 859 S CA 0.395 58.620 58.200 0.041 0.000 0.942 859 S CB -0.687 62.527 63.200 0.024 0.000 0.776 859 S HN 0.508 nan 8.310 nan 0.000 0.514 860 L N 0.364 121.598 121.223 0.018 0.000 2.354 860 L HA 0.435 4.764 4.340 -0.018 0.000 0.212 860 L C 1.997 178.863 176.870 -0.008 0.000 1.091 860 L CA 0.500 55.345 54.840 0.008 0.000 0.828 860 L CB -0.491 41.572 42.059 0.006 0.000 0.973 860 L HN 0.545 nan 8.230 nan 0.000 0.461 861 G N -0.706 108.079 108.800 -0.024 0.000 2.192 861 G HA2 -0.215 3.734 3.960 -0.018 0.000 0.193 861 G HA3 -0.215 3.734 3.960 -0.018 0.000 0.193 861 G C -0.015 174.841 174.900 -0.073 0.000 0.999 861 G CA -0.588 44.470 45.100 -0.071 0.000 0.659 861 G HN 0.220 nan 8.290 nan 0.000 0.503 862 N N 0.677 119.347 118.700 -0.050 0.000 2.412 862 N HA 0.268 4.997 4.740 -0.018 0.000 0.258 862 N C 0.678 176.125 175.510 -0.105 0.000 1.236 862 N CA 0.362 53.377 53.050 -0.059 0.000 0.882 862 N CB 1.352 39.815 38.487 -0.040 0.000 1.066 862 N HN 0.184 nan 8.380 nan 0.000 0.465 863 V N 4.298 124.117 119.914 -0.157 0.000 2.583 863 V HA 0.126 4.235 4.120 -0.018 0.000 0.287 863 V C 1.379 177.299 176.094 -0.291 0.000 1.051 863 V CA -0.169 61.951 62.300 -0.300 0.000 1.010 863 V CB 1.114 32.604 31.823 -0.554 0.000 0.988 863 V HN 0.514 nan 8.190 nan 0.000 0.478 864 I N 2.056 122.457 120.570 -0.282 0.000 3.518 864 I HA 0.249 4.408 4.170 -0.018 0.000 0.260 864 I C 0.716 176.691 176.117 -0.238 0.000 1.148 864 I CA 0.608 61.786 61.300 -0.203 0.000 1.440 864 I CB -0.326 37.600 38.000 -0.123 0.000 1.485 864 I HN 0.559 nan 8.210 nan 0.000 0.456 865 Q N -0.371 119.289 119.800 -0.233 0.000 2.345 865 Q HA 0.432 4.761 4.340 -0.018 0.000 0.268 865 Q C -0.108 175.749 176.000 -0.240 0.000 1.054 865 Q CA -0.520 55.176 55.803 -0.178 0.000 0.835 865 Q CB 2.882 31.565 28.738 -0.093 0.000 1.339 865 Q HN 0.040 nan 8.270 nan 0.000 0.447 866 F N 0.354 120.307 119.950 0.004 0.000 2.317 866 F HA 0.205 4.721 4.527 -0.018 0.000 0.293 866 F C 0.669 176.488 175.800 0.031 0.000 1.085 866 F CA 0.416 58.425 58.000 0.016 0.000 1.390 866 F CB 0.721 39.725 39.000 0.008 0.000 1.077 866 F HN 0.330 nan 8.300 nan 0.000 0.517 867 I N -0.887 119.800 120.570 0.195 0.000 2.418 867 I HA 0.148 4.307 4.170 -0.018 0.000 0.287 867 I C -0.774 175.408 176.117 0.108 0.000 1.008 867 I CA -1.303 60.079 61.300 0.137 0.000 1.104 867 I CB 1.004 39.072 38.000 0.112 0.000 1.264 867 I HN -0.123 nan 8.210 nan 0.000 0.438 868 Y N 5.908 126.213 120.300 0.009 0.000 2.895 868 Y HA 0.107 4.646 4.550 -0.018 0.000 0.334 868 Y C 1.503 177.399 175.900 -0.006 0.000 1.261 868 Y CA 1.269 59.360 58.100 -0.015 0.000 1.560 868 Y CB 0.484 38.922 38.460 -0.035 0.000 1.253 868 Y HN 0.906 nan 8.280 nan 0.000 0.582 869 G N 4.854 113.185 108.800 -0.781 0.000 2.361 869 G HA2 -0.380 3.569 3.960 -0.018 0.000 0.294 869 G HA3 -0.380 3.569 3.960 -0.018 0.000 0.294 869 G C 0.340 175.176 174.900 -0.107 0.000 1.004 869 G CA 0.707 45.483 45.100 -0.539 0.000 0.870 869 G HN 1.032 nan 8.290 nan 0.000 0.510 870 E N -1.682 118.489 120.200 -0.049 0.000 3.065 870 E HA -0.320 4.019 4.350 -0.018 0.000 0.277 870 E C 0.832 177.455 176.600 0.038 0.000 1.008 870 E CA 1.366 57.782 56.400 0.028 0.000 0.864 870 E CB -0.872 28.863 29.700 0.058 0.000 1.439 870 E HN 0.957 nan 8.360 nan 0.000 0.445 871 D N -1.625 118.803 120.400 0.047 0.000 2.475 871 D HA 0.104 4.733 4.640 -0.018 0.000 0.306 871 D C 0.937 177.273 176.300 0.061 0.000 1.304 871 D CA 0.528 54.565 54.000 0.061 0.000 0.862 871 D CB -0.370 40.465 40.800 0.059 0.000 1.306 871 D HN 0.297 nan 8.370 nan 0.000 0.494 872 G N 1.283 110.142 108.800 0.098 0.000 2.273 872 G HA2 -0.268 3.681 3.960 -0.018 0.000 0.280 872 G HA3 -0.268 3.681 3.960 -0.018 0.000 0.280 872 G C -0.223 174.685 174.900 0.015 0.000 1.047 872 G CA 0.765 45.920 45.100 0.092 0.000 0.869 872 G HN 0.419 nan 8.290 nan 0.000 0.502 873 M N 0.365 120.010 119.600 0.075 0.000 2.321 873 M HA 0.507 4.976 4.480 -0.018 0.000 0.315 873 M C -0.251 176.051 176.300 0.004 0.000 1.052 873 M CA -1.008 54.269 55.300 -0.037 0.000 0.936 873 M CB 1.601 34.172 32.600 -0.049 0.000 1.639 873 M HN 0.199 nan 8.290 nan 0.000 0.433 874 D N 2.749 123.055 120.400 -0.156 0.000 2.383 874 D HA 0.401 5.030 4.640 -0.018 0.000 0.252 874 D C 0.901 177.115 176.300 -0.143 0.000 1.166 874 D CA 0.428 54.293 54.000 -0.225 0.000 0.879 874 D CB 1.293 41.850 40.800 -0.404 0.000 1.164 874 D HN 0.719 nan 8.370 nan 0.000 0.462 875 A N 4.042 126.844 122.820 -0.030 0.000 1.978 875 A HA -0.113 4.196 4.320 -0.018 0.000 0.220 875 A C 2.169 179.787 177.584 0.057 0.000 1.170 875 A CA 1.849 53.915 52.037 0.049 0.000 0.636 875 A CB -0.913 18.138 19.000 0.084 0.000 0.810 875 A HN 0.715 nan 8.150 nan 0.000 0.448 876 A N -0.622 122.188 122.820 -0.016 0.000 1.940 876 A HA -0.214 4.095 4.320 -0.018 0.000 0.219 876 A C 1.731 179.452 177.584 0.229 0.000 1.176 876 A CA 1.570 53.647 52.037 0.067 0.000 0.631 876 A CB -0.974 18.044 19.000 0.030 0.000 0.814 876 A HN 0.799 nan 8.150 nan 0.000 0.446 877 H N -1.595 117.510 119.070 0.058 0.000 2.536 877 H HA 0.361 4.906 4.556 -0.018 0.000 0.276 877 H C -0.417 174.961 175.328 0.083 0.000 1.019 877 H CA -0.576 55.508 56.048 0.060 0.000 1.159 877 H CB 0.036 29.797 29.762 -0.002 0.000 1.373 877 H HN 0.363 nan 8.280 nan 0.000 0.584 878 I N 1.667 122.370 120.570 0.221 0.000 2.412 878 I HA 0.202 4.361 4.170 -0.018 0.000 0.296 878 I C -0.336 175.895 176.117 0.190 0.000 0.987 878 I CA -0.496 60.911 61.300 0.178 0.000 1.180 878 I CB 1.936 40.032 38.000 0.161 0.000 1.340 878 I HN 0.172 nan 8.210 nan 0.000 0.455 879 E N 4.100 124.377 120.200 0.128 0.000 2.343 879 E HA 0.286 4.625 4.350 -0.018 0.000 0.270 879 E C -0.989 175.649 176.600 0.063 0.000 0.895 879 E CA -1.152 55.279 56.400 0.052 0.000 0.767 879 E CB 2.396 32.051 29.700 -0.074 0.000 1.248 879 E HN 0.326 nan 8.360 nan 0.000 0.440 880 K N 2.203 122.612 120.400 0.015 0.000 2.081 880 K HA 0.001 4.310 4.320 -0.018 0.000 0.230 880 K C -0.536 176.070 176.600 0.009 0.000 1.199 880 K CA 0.248 56.536 56.287 0.002 0.000 1.130 880 K CB -0.009 32.444 32.500 -0.078 0.000 1.386 880 K HN 0.344 nan 8.250 nan 0.000 0.280 881 Q N 1.866 121.707 119.800 0.069 0.000 2.296 881 Q HA 0.088 4.417 4.340 -0.018 0.000 0.257 881 Q C -0.502 175.548 176.000 0.084 0.000 0.942 881 Q CA -0.493 55.355 55.803 0.076 0.000 0.939 881 Q CB 1.313 30.121 28.738 0.116 0.000 1.198 881 Q HN 0.636 nan 8.270 nan 0.000 0.429 882 S N 3.000 118.729 115.700 0.048 0.000 2.531 882 S HA 0.225 4.684 4.470 -0.018 0.000 0.279 882 S C 0.040 174.687 174.600 0.078 0.000 1.305 882 S CA -0.551 57.674 58.200 0.042 0.000 1.058 882 S CB 0.390 63.599 63.200 0.014 0.000 0.899 882 S HN 0.561 nan 8.310 nan 0.000 0.493 883 L N 3.226 124.509 121.223 0.101 0.000 2.397 883 L HA 0.234 4.563 4.340 -0.018 0.000 0.263 883 L C 0.424 177.353 176.870 0.098 0.000 1.136 883 L CA -0.573 54.335 54.840 0.114 0.000 1.019 883 L CB -0.119 42.035 42.059 0.158 0.000 1.352 883 L HN 0.809 nan 8.230 nan 0.000 0.420 884 D N -1.850 118.601 120.400 0.085 0.000 2.348 884 D HA -0.105 4.524 4.640 -0.018 0.000 0.248 884 D C 1.142 177.487 176.300 0.076 0.000 1.142 884 D CA 0.216 54.265 54.000 0.081 0.000 0.904 884 D CB -0.041 40.806 40.800 0.078 0.000 0.901 884 D HN 0.297 nan 8.370 nan 0.000 0.523 885 T N -0.529 114.067 114.554 0.069 0.000 3.067 885 T HA 0.119 4.458 4.350 -0.018 0.000 0.257 885 T C 1.672 176.476 174.700 0.173 0.000 1.105 885 T CA -0.001 62.130 62.100 0.052 0.000 1.104 885 T CB 0.274 69.153 68.868 0.020 0.000 0.925 885 T HN 0.194 nan 8.240 nan 0.000 0.498 886 I N 1.187 121.864 120.570 0.177 0.000 2.429 886 I HA 0.181 4.340 4.170 -0.018 0.000 0.247 886 I C 1.837 178.125 176.117 0.284 0.000 1.099 886 I CA 0.539 61.982 61.300 0.239 0.000 1.422 886 I CB -1.312 36.825 38.000 0.228 0.000 1.112 886 I HN 0.200 nan 8.210 nan 0.000 0.430 887 G N -0.179 108.753 108.800 0.220 0.000 2.563 887 G HA2 0.456 4.405 3.960 -0.018 0.000 0.283 887 G HA3 0.456 4.405 3.960 -0.018 0.000 0.283 887 G C 0.179 175.191 174.900 0.188 0.000 1.309 887 G CA 0.445 45.682 45.100 0.228 0.000 1.022 887 G HN 0.576 nan 8.290 nan 0.000 0.501 888 G N -1.661 107.232 108.800 0.155 0.000 2.781 888 G HA2 0.138 4.087 3.960 -0.018 0.000 0.683 888 G HA3 0.138 4.087 3.960 -0.018 0.000 0.683 888 G C 0.054 175.027 174.900 0.121 0.000 1.390 888 G CA -0.049 45.124 45.100 0.122 0.000 0.850 888 G HN 1.307 nan 8.290 nan 0.000 0.557 889 S N -0.087 115.677 115.700 0.106 0.000 2.632 889 S HA 0.412 4.871 4.470 -0.018 0.000 0.267 889 S C 1.210 175.897 174.600 0.144 0.000 1.276 889 S CA -0.067 58.188 58.200 0.092 0.000 0.998 889 S CB 1.432 64.674 63.200 0.069 0.000 0.953 889 S HN 0.613 nan 8.310 nan 0.000 0.547 890 D N 1.502 121.959 120.400 0.095 0.000 2.144 890 D HA -0.110 4.519 4.640 -0.018 0.000 0.199 890 D C 1.992 178.386 176.300 0.156 0.000 0.984 890 D CA 1.334 55.393 54.000 0.098 0.000 0.834 890 D CB -0.197 40.613 40.800 0.018 0.000 0.955 890 D HN 0.584 nan 8.370 nan 0.000 0.465 891 A N 1.108 124.000 122.820 0.120 0.000 1.930 891 A HA 0.020 4.329 4.320 -0.018 0.000 0.217 891 A C 2.261 179.933 177.584 0.147 0.000 1.175 891 A CA 1.685 53.796 52.037 0.123 0.000 0.627 891 A CB -0.424 18.625 19.000 0.080 0.000 0.815 891 A HN 0.221 nan 8.150 nan 0.000 0.443 892 A N -2.139 120.765 122.820 0.140 0.000 2.168 892 A HA 0.142 4.451 4.320 -0.018 0.000 0.215 892 A C 1.812 179.499 177.584 0.172 0.000 1.152 892 A CA 1.025 53.134 52.037 0.119 0.000 0.716 892 A CB -0.577 18.475 19.000 0.087 0.000 0.794 892 A HN 0.600 nan 8.150 nan 0.000 0.465 893 F N -0.450 119.571 119.950 0.119 0.000 2.220 893 F HA 0.071 4.587 4.527 -0.018 0.000 0.290 893 F C 2.209 178.154 175.800 0.242 0.000 1.080 893 F CA 1.244 59.359 58.000 0.192 0.000 1.318 893 F CB 0.142 39.218 39.000 0.128 0.000 1.063 893 F HN 0.302 nan 8.300 nan 0.000 0.498 894 E N 0.702 121.201 120.200 0.498 0.000 2.007 894 E HA -0.265 4.074 4.350 -0.018 0.000 0.194 894 E C 0.909 177.694 176.600 0.308 0.000 0.999 894 E CA 0.953 57.605 56.400 0.420 0.000 0.811 894 E CB -0.136 29.726 29.700 0.271 0.000 0.762 894 E HN 0.038 nan 8.360 nan 0.000 0.450 895 K N 0.437 120.957 120.400 0.201 0.000 2.449 895 K HA 0.005 4.314 4.320 -0.018 0.000 0.237 895 K C 0.420 177.031 176.600 0.018 0.000 1.265 895 K CA 0.183 56.529 56.287 0.098 0.000 1.193 895 K CB 0.168 32.696 32.500 0.047 0.000 1.515 895 K HN -0.013 nan 8.250 nan 0.000 0.259 896 R N 0.673 121.172 120.500 -0.002 0.000 1.905 896 R HA -0.007 4.322 4.340 -0.018 0.000 0.071 896 R C -0.062 175.957 176.300 -0.469 0.000 0.819 896 R CA 0.384 56.339 56.100 -0.241 0.000 2.878 896 R CB 0.178 30.338 30.300 -0.233 0.000 1.157 896 R HN 0.437 nan 8.270 nan 0.000 0.526 897 Y N -0.391 119.963 120.300 0.089 0.000 2.438 897 Y HA 0.342 4.881 4.550 -0.018 0.000 0.274 897 Y C 0.457 176.588 175.900 0.384 0.000 1.085 897 Y CA -0.351 57.854 58.100 0.175 0.000 1.199 897 Y CB 0.846 39.373 38.460 0.112 0.000 1.317 897 Y HN -0.242 nan 8.280 nan 0.000 0.545 898 R N 1.689 122.505 120.500 0.527 0.000 2.298 898 R HA 0.486 4.815 4.340 -0.018 0.000 0.310 898 R C -1.481 174.856 176.300 0.062 0.000 1.068 898 R CA -0.082 56.115 56.100 0.163 0.000 0.957 898 R CB 0.543 30.788 30.300 -0.092 0.000 1.003 898 R HN -0.098 nan 8.270 nan 0.000 0.454 899 V N 5.143 125.056 119.914 -0.003 0.000 2.349 899 V HA 0.207 4.316 4.120 -0.018 0.000 0.284 899 V C -0.764 175.297 176.094 -0.055 0.000 1.014 899 V CA -0.806 61.492 62.300 -0.005 0.000 0.826 899 V CB 1.361 33.192 31.823 0.012 0.000 1.009 899 V HN 0.701 nan 8.190 nan 0.000 0.431 900 D N 4.205 124.577 120.400 -0.047 0.000 2.456 900 D HA 0.352 4.981 4.640 -0.018 0.000 0.219 900 D C 1.081 177.368 176.300 -0.021 0.000 1.126 900 D CA -0.073 53.890 54.000 -0.062 0.000 0.890 900 D CB 1.261 42.012 40.800 -0.082 0.000 1.025 900 D HN 0.372 nan 8.370 nan 0.000 0.511 901 L N 2.782 123.989 121.223 -0.026 0.000 1.971 901 L HA -0.176 4.154 4.340 -0.018 0.000 0.215 901 L C 1.234 178.096 176.870 -0.014 0.000 1.072 901 L CA 0.978 55.807 54.840 -0.017 0.000 0.758 901 L CB -0.573 41.475 42.059 -0.019 0.000 0.889 901 L HN 0.452 nan 8.230 nan 0.000 0.433 902 L N 0.407 121.617 121.223 -0.020 0.000 2.450 902 L HA 0.228 4.557 4.340 -0.018 0.000 0.256 902 L C -0.214 176.648 176.870 -0.014 0.000 1.374 902 L CA 0.348 55.177 54.840 -0.018 0.000 1.210 902 L CB -0.989 41.056 42.059 -0.023 0.000 1.394 902 L HN 0.231 nan 8.230 nan 0.000 0.438 903 N N 0.047 118.748 118.700 0.001 0.000 4.430 903 N HA 0.028 4.757 4.740 -0.018 0.000 0.181 903 N C 0.414 175.944 175.510 0.034 0.000 1.061 903 N CA 0.011 53.075 53.050 0.023 0.000 1.089 903 N CB 1.328 39.839 38.487 0.040 0.000 1.586 903 N HN 0.221 nan 8.380 nan 0.000 0.881 904 T N 0.633 115.202 114.554 0.024 0.000 2.821 904 T HA -0.061 4.278 4.350 -0.018 0.000 0.267 904 T C 0.684 175.389 174.700 0.009 0.000 1.046 904 T CA 1.322 63.428 62.100 0.011 0.000 1.139 904 T CB 0.034 68.904 68.868 0.004 0.000 0.871 904 T HN 0.431 nan 8.240 nan 0.000 0.454 905 D N 0.261 120.682 120.400 0.035 0.000 2.317 905 D HA -0.019 4.610 4.640 -0.018 0.000 0.211 905 D C 0.952 177.184 176.300 -0.114 0.000 0.966 905 D CA 0.827 54.824 54.000 -0.006 0.000 0.876 905 D CB -0.003 40.834 40.800 0.061 0.000 0.927 905 D HN 0.480 nan 8.370 nan 0.000 0.519 906 H N -0.601 118.453 119.070 -0.027 0.000 2.676 906 H HA 0.306 4.851 4.556 -0.018 0.000 0.238 906 H C -0.284 175.022 175.328 -0.037 0.000 1.276 906 H CA 0.012 56.041 56.048 -0.031 0.000 0.983 906 H CB 0.511 30.251 29.762 -0.037 0.000 2.000 906 H HN -0.048 nan 8.280 nan 0.000 0.584 907 T N 0.432 115.000 114.554 0.023 0.000 2.910 907 T HA 0.367 4.706 4.350 -0.018 0.000 0.287 907 T C 0.464 175.151 174.700 -0.021 0.000 1.050 907 T CA -0.841 61.261 62.100 0.004 0.000 1.011 907 T CB 1.953 70.821 68.868 -0.001 0.000 1.195 907 T HN 0.103 nan 8.240 nan 0.000 0.540 908 L N 2.034 123.244 121.223 -0.022 0.000 2.559 908 L HA 0.141 4.470 4.340 -0.018 0.000 0.274 908 L C 0.546 177.397 176.870 -0.032 0.000 1.205 908 L CA -0.278 54.544 54.840 -0.031 0.000 0.907 908 L CB -0.221 41.819 42.059 -0.031 0.000 1.153 908 L HN 0.621 nan 8.230 nan 0.000 0.490 909 D N 5.439 125.817 120.400 -0.037 0.000 2.434 909 D HA 0.050 4.679 4.640 -0.018 0.000 0.252 909 D C -1.567 174.716 176.300 -0.028 0.000 1.185 909 D CA -1.379 52.601 54.000 -0.033 0.000 0.886 909 D CB 1.073 41.852 40.800 -0.035 0.000 1.148 909 D HN 0.232 nan 8.370 nan 0.000 0.483 910 P HA -0.109 nan 4.420 nan 0.000 0.229 910 P C 0.364 177.652 177.300 -0.020 0.000 1.147 910 P CA 0.738 63.825 63.100 -0.021 0.000 0.766 910 P CB 0.229 31.918 31.700 -0.018 0.000 0.775 911 S N -1.876 113.811 115.700 -0.021 0.000 2.582 911 S HA 0.268 4.727 4.470 -0.018 0.000 0.234 911 S C 0.972 175.560 174.600 -0.020 0.000 0.961 911 S CA -0.195 57.994 58.200 -0.018 0.000 0.953 911 S CB -0.545 62.645 63.200 -0.016 0.000 0.800 911 S HN 0.032 nan 8.310 nan 0.000 0.471 912 L N -0.153 121.055 121.223 -0.025 0.000 2.902 912 L HA 0.496 4.825 4.340 -0.018 0.000 0.254 912 L C -0.160 176.690 176.870 -0.033 0.000 1.115 912 L CA 0.055 54.877 54.840 -0.030 0.000 0.947 912 L CB 0.529 42.566 42.059 -0.037 0.000 1.369 912 L HN 0.226 nan 8.230 nan 0.000 0.538 913 L N 0.348 121.552 121.223 -0.032 0.000 2.354 913 L HA 0.291 4.620 4.340 -0.018 0.000 0.264 913 L C 0.889 177.741 176.870 -0.029 0.000 1.008 913 L CA 0.074 54.893 54.840 -0.035 0.000 0.819 913 L CB 2.359 44.394 42.059 -0.040 0.000 1.339 913 L HN 0.021 nan 8.230 nan 0.000 0.420 914 E N 0.798 120.980 120.200 -0.030 0.000 2.058 914 E HA -0.149 4.190 4.350 -0.018 0.000 0.194 914 E C 0.737 177.323 176.600 -0.023 0.000 0.997 914 E CA 1.640 58.025 56.400 -0.025 0.000 0.801 914 E CB 0.333 30.017 29.700 -0.027 0.000 0.746 914 E HN 0.641 nan 8.360 nan 0.000 0.450 915 S N 0.222 115.906 115.700 -0.027 0.000 2.767 915 S HA 0.163 4.622 4.470 -0.018 0.000 0.253 915 S C 1.140 175.726 174.600 -0.024 0.000 1.082 915 S CA 0.014 58.199 58.200 -0.024 0.000 1.148 915 S CB 0.575 63.759 63.200 -0.026 0.000 0.808 915 S HN 0.433 nan 8.310 nan 0.000 0.466 916 G N 3.275 112.061 108.800 -0.023 0.000 2.631 916 G HA2 -0.302 3.647 3.960 -0.018 0.000 0.219 916 G HA3 -0.302 3.647 3.960 -0.018 0.000 0.219 916 G C 1.512 176.399 174.900 -0.021 0.000 1.214 916 G CA 1.462 46.548 45.100 -0.023 0.000 0.785 916 G HN 0.728 nan 8.290 nan 0.000 0.596 917 S N 0.527 116.216 115.700 -0.018 0.000 2.575 917 S HA 0.132 4.591 4.470 -0.018 0.000 0.215 917 S C 1.689 176.280 174.600 -0.015 0.000 0.966 917 S CA 1.089 59.279 58.200 -0.016 0.000 0.911 917 S CB 0.411 63.602 63.200 -0.015 0.000 0.780 917 S HN 0.663 nan 8.310 nan 0.000 0.514 918 E N 1.065 121.255 120.200 -0.016 0.000 2.452 918 E HA 0.190 4.529 4.350 -0.018 0.000 0.197 918 E C 1.507 178.097 176.600 -0.016 0.000 1.022 918 E CA 0.127 56.518 56.400 -0.015 0.000 0.890 918 E CB -0.274 29.417 29.700 -0.015 0.000 0.918 918 E HN 0.424 nan 8.360 nan 0.000 0.496 919 I N 0.959 121.518 120.570 -0.018 0.000 2.480 919 I HA 0.057 4.216 4.170 -0.018 0.000 0.251 919 I C 1.226 177.333 176.117 -0.017 0.000 1.124 919 I CA 0.139 61.428 61.300 -0.018 0.000 1.444 919 I CB -0.961 37.025 38.000 -0.022 0.000 1.098 919 I HN 0.245 nan 8.210 nan 0.000 0.428 920 L N 1.884 123.098 121.223 -0.016 0.000 2.776 920 L HA 0.021 4.350 4.340 -0.018 0.000 0.283 920 L C 1.154 178.016 176.870 -0.013 0.000 1.194 920 L CA 1.183 56.015 54.840 -0.014 0.000 0.947 920 L CB -0.453 41.599 42.059 -0.013 0.000 1.255 920 L HN 0.593 nan 8.230 nan 0.000 0.481 921 G N 3.029 111.821 108.800 -0.013 0.000 2.936 921 G HA2 -0.231 3.718 3.960 -0.018 0.000 0.237 921 G HA3 -0.231 3.718 3.960 -0.018 0.000 0.237 921 G C -0.203 174.688 174.900 -0.014 0.000 1.403 921 G CA -0.057 45.035 45.100 -0.013 0.000 1.011 921 G HN 0.980 nan 8.290 nan 0.000 0.568 922 D N -1.324 119.068 120.400 -0.013 0.000 10.869 922 D HA -0.128 4.501 4.640 -0.018 0.000 0.365 922 D C 0.997 177.289 176.300 -0.014 0.000 3.075 922 D CA 1.532 55.524 54.000 -0.013 0.000 2.532 922 D CB -0.711 40.080 40.800 -0.014 0.000 1.131 922 D HN 0.777 nan 8.370 nan 0.000 0.972 923 L N 0.904 122.120 121.223 -0.013 0.000 2.678 923 L HA 0.125 4.454 4.340 -0.018 0.000 0.187 923 L C 2.462 179.325 176.870 -0.011 0.000 1.073 923 L CA -0.422 54.411 54.840 -0.012 0.000 0.883 923 L CB -0.384 41.668 42.059 -0.011 0.000 1.501 923 L HN 0.314 nan 8.230 nan 0.000 0.488 924 K N 0.979 121.373 120.400 -0.010 0.000 2.059 924 K HA -0.192 4.117 4.320 -0.018 0.000 0.212 924 K C 1.896 178.491 176.600 -0.008 0.000 1.050 924 K CA 1.568 57.849 56.287 -0.009 0.000 0.927 924 K CB -0.297 32.198 32.500 -0.009 0.000 0.714 924 K HN 0.248 nan 8.250 nan 0.000 0.447 925 L N 0.591 121.808 121.223 -0.010 0.000 2.313 925 L HA -0.102 4.227 4.340 -0.018 0.000 0.214 925 L C 2.453 179.317 176.870 -0.009 0.000 1.119 925 L CA 0.524 55.358 54.840 -0.010 0.000 0.809 925 L CB -0.184 41.867 42.059 -0.014 0.000 0.933 925 L HN 0.173 nan 8.230 nan 0.000 0.449 926 Q N -0.329 119.464 119.800 -0.011 0.000 2.331 926 Q HA -0.017 4.312 4.340 -0.018 0.000 0.203 926 Q C 2.284 178.278 176.000 -0.010 0.000 0.944 926 Q CA 0.818 56.613 55.803 -0.014 0.000 0.892 926 Q CB 0.294 29.020 28.738 -0.021 0.000 0.983 926 Q HN 0.366 nan 8.270 nan 0.000 0.482 927 V N 0.655 120.565 119.914 -0.006 0.000 2.453 927 V HA -0.174 3.935 4.120 -0.018 0.000 0.247 927 V C 2.063 178.161 176.094 0.007 0.000 1.048 927 V CA 1.121 63.420 62.300 -0.001 0.000 1.049 927 V CB -0.410 31.411 31.823 -0.003 0.000 0.672 927 V HN 0.256 nan 8.190 nan 0.000 0.457 928 L N -0.229 120.998 121.223 0.006 0.000 2.627 928 L HA 0.065 4.394 4.340 -0.018 0.000 0.233 928 L C 1.845 178.730 176.870 0.024 0.000 1.144 928 L CA 0.167 55.014 54.840 0.013 0.000 0.892 928 L CB -0.027 42.035 42.059 0.005 0.000 1.039 928 L HN 0.303 nan 8.230 nan 0.000 0.442 929 L N -0.281 120.958 121.223 0.025 0.000 2.537 929 L HA 0.077 4.406 4.340 -0.018 0.000 0.224 929 L C 1.363 178.278 176.870 0.076 0.000 1.065 929 L CA 1.258 56.122 54.840 0.040 0.000 0.860 929 L CB 0.013 42.077 42.059 0.008 0.000 1.086 929 L HN 0.291 nan 8.230 nan 0.000 0.482 930 D N -1.617 118.818 120.400 0.058 0.000 2.354 930 D HA -0.116 4.513 4.640 -0.018 0.000 0.209 930 D C 1.687 178.053 176.300 0.110 0.000 1.015 930 D CA 0.241 54.310 54.000 0.115 0.000 0.867 930 D CB 0.155 40.990 40.800 0.060 0.000 0.933 930 D HN 0.121 nan 8.370 nan 0.000 0.520 931 E N 1.732 121.971 120.200 0.065 0.000 2.049 931 E HA -0.302 4.037 4.350 -0.018 0.000 0.198 931 E C 1.905 178.536 176.600 0.052 0.000 1.007 931 E CA 1.666 58.092 56.400 0.043 0.000 0.809 931 E CB -0.180 29.535 29.700 0.026 0.000 0.749 931 E HN 0.435 nan 8.360 nan 0.000 0.450 932 E N -1.419 118.826 120.200 0.075 0.000 2.106 932 E HA -0.207 4.132 4.350 -0.018 0.000 0.192 932 E C 1.868 178.531 176.600 0.105 0.000 0.984 932 E CA 0.938 57.385 56.400 0.079 0.000 0.806 932 E CB -0.288 29.471 29.700 0.097 0.000 0.750 932 E HN 0.487 nan 8.360 nan 0.000 0.458 933 Y N 1.029 121.346 120.300 0.028 0.000 2.516 933 Y HA -0.005 4.534 4.550 -0.018 0.000 0.291 933 Y C 2.182 178.088 175.900 0.010 0.000 1.131 933 Y CA 1.250 59.377 58.100 0.044 0.000 1.281 933 Y CB 0.246 38.740 38.460 0.057 0.000 1.013 933 Y HN -0.087 nan 8.280 nan 0.000 0.554 934 K N -0.370 120.084 120.400 0.090 0.000 2.067 934 K HA -0.170 4.139 4.320 -0.018 0.000 0.203 934 K C 2.107 178.671 176.600 -0.061 0.000 1.048 934 K CA 1.092 57.385 56.287 0.009 0.000 0.954 934 K CB -0.049 32.471 32.500 0.033 0.000 0.737 934 K HN 0.147 nan 8.250 nan 0.000 0.444 935 Q N 0.937 120.709 119.800 -0.047 0.000 2.234 935 Q HA -0.156 4.173 4.340 -0.018 0.000 0.206 935 Q C 1.837 177.773 176.000 -0.107 0.000 0.980 935 Q CA 1.193 56.953 55.803 -0.072 0.000 0.869 935 Q CB -0.186 28.516 28.738 -0.060 0.000 0.912 935 Q HN 0.326 nan 8.270 nan 0.000 0.436 936 L N -1.115 120.026 121.223 -0.138 0.000 2.027 936 L HA -0.074 4.255 4.340 -0.018 0.000 0.206 936 L C 1.886 178.643 176.870 -0.188 0.000 1.074 936 L CA 1.510 56.242 54.840 -0.181 0.000 0.745 936 L CB -0.537 41.369 42.059 -0.255 0.000 0.898 936 L HN 0.130 nan 8.230 nan 0.000 0.433 937 V N -0.521 119.232 119.914 -0.268 0.000 2.719 937 V HA -0.132 3.977 4.120 -0.018 0.000 0.252 937 V C 2.468 178.471 176.094 -0.151 0.000 1.065 937 V CA 1.120 63.250 62.300 -0.283 0.000 1.086 937 V CB -0.822 30.802 31.823 -0.331 0.000 0.700 937 V HN 0.357 nan 8.190 nan 0.000 0.467 938 K N 0.175 120.511 120.400 -0.107 0.000 2.362 938 K HA -0.114 4.195 4.320 -0.018 0.000 0.200 938 K C 1.566 178.152 176.600 -0.023 0.000 1.046 938 K CA 1.008 57.262 56.287 -0.054 0.000 0.952 938 K CB -0.190 32.278 32.500 -0.054 0.000 0.753 938 K HN 0.467 nan 8.250 nan 0.000 0.466 939 D N 0.511 120.878 120.400 -0.054 0.000 2.110 939 D HA -0.076 4.553 4.640 -0.018 0.000 0.202 939 D C 1.892 178.230 176.300 0.063 0.000 0.975 939 D CA 0.748 54.738 54.000 -0.016 0.000 0.839 939 D CB -0.087 40.673 40.800 -0.067 0.000 0.996 939 D HN 0.037 nan 8.370 nan 0.000 0.464 940 R N 0.745 121.252 120.500 0.011 0.000 2.127 940 R HA -0.159 4.171 4.340 -0.018 0.000 0.238 940 R C 1.923 178.246 176.300 0.037 0.000 1.134 940 R CA 1.243 57.367 56.100 0.040 0.000 0.975 940 R CB 0.057 30.339 30.300 -0.029 0.000 0.865 940 R HN 0.038 nan 8.270 nan 0.000 0.447 941 K N -0.477 119.930 120.400 0.012 0.000 2.031 941 K HA -0.131 4.178 4.320 -0.018 0.000 0.205 941 K C 1.843 178.467 176.600 0.040 0.000 1.049 941 K CA 1.246 57.538 56.287 0.009 0.000 0.939 941 K CB -0.352 32.139 32.500 -0.016 0.000 0.717 941 K HN 0.077 nan 8.250 nan 0.000 0.438 942 F N 1.271 121.186 119.950 -0.058 0.000 2.120 942 F HA -0.222 4.294 4.527 -0.018 0.000 0.300 942 F C 1.518 177.271 175.800 -0.079 0.000 1.095 942 F CA 1.506 59.462 58.000 -0.073 0.000 1.249 942 F CB -0.005 38.948 39.000 -0.077 0.000 0.995 942 F HN 0.001 nan 8.300 nan 0.000 0.480 943 L N -0.246 121.094 121.223 0.196 0.000 2.044 943 L HA -0.145 4.184 4.340 -0.018 0.000 0.205 943 L C 2.407 179.322 176.870 0.076 0.000 1.075 943 L CA 1.221 56.149 54.840 0.146 0.000 0.747 943 L CB -0.597 41.619 42.059 0.261 0.000 0.903 943 L HN -0.089 nan 8.230 nan 0.000 0.435 944 R N -0.323 120.237 120.500 0.100 0.000 2.377 944 R HA -0.160 4.169 4.340 -0.018 0.000 0.207 944 R C 1.730 178.027 176.300 -0.004 0.000 1.075 944 R CA 0.667 56.835 56.100 0.113 0.000 1.035 944 R CB -0.022 30.351 30.300 0.123 0.000 0.857 944 R HN 0.432 nan 8.270 nan 0.000 0.475 945 E N -0.839 119.276 120.200 -0.141 0.000 2.330 945 E HA -0.012 4.327 4.350 -0.018 0.000 0.200 945 E C 1.425 177.802 176.600 -0.372 0.000 0.922 945 E CA 0.049 56.297 56.400 -0.253 0.000 0.935 945 E CB 0.576 30.073 29.700 -0.338 0.000 0.917 945 E HN 0.025 nan 8.360 nan 0.000 0.491 946 V N 0.764 120.371 119.914 -0.512 0.000 2.249 946 V HA -0.061 4.048 4.120 -0.018 0.000 0.239 946 V C 0.671 176.411 176.094 -0.590 0.000 1.038 946 V CA 1.137 63.028 62.300 -0.683 0.000 1.005 946 V CB -0.285 30.958 31.823 -0.967 0.000 0.646 946 V HN 0.116 nan 8.190 nan 0.000 0.455 947 F N -0.147 119.667 119.950 -0.226 0.000 2.467 947 F HA 0.280 4.796 4.527 -0.018 0.000 0.362 947 F C 0.975 176.733 175.800 -0.070 0.000 1.090 947 F CA -0.130 57.783 58.000 -0.145 0.000 1.202 947 F CB 0.649 39.601 39.000 -0.080 0.000 1.113 947 F HN -0.196 nan 8.300 nan 0.000 0.541 948 V N 1.588 121.557 119.914 0.092 0.000 3.307 948 V HA -0.090 4.019 4.120 -0.018 0.000 0.253 948 V C 1.156 177.281 176.094 0.051 0.000 1.149 948 V CA 0.747 63.078 62.300 0.051 0.000 1.112 948 V CB -0.273 31.538 31.823 -0.020 0.000 0.777 948 V HN 0.677 nan 8.190 nan 0.000 0.464 949 D N 1.687 122.125 120.400 0.063 0.000 2.182 949 D HA -0.011 4.618 4.640 -0.018 0.000 0.201 949 D C 1.846 178.005 176.300 -0.236 0.000 0.986 949 D CA 1.763 55.752 54.000 -0.019 0.000 0.847 949 D CB -0.280 40.566 40.800 0.077 0.000 0.942 949 D HN 0.507 nan 8.370 nan 0.000 0.467 950 G N 0.498 109.190 108.800 -0.179 0.000 2.176 950 G HA2 -0.312 3.637 3.960 -0.018 0.000 0.252 950 G HA3 -0.312 3.637 3.960 -0.018 0.000 0.252 950 G C -0.026 174.695 174.900 -0.297 0.000 1.024 950 G CA 0.207 45.028 45.100 -0.465 0.000 0.755 950 G HN 0.319 nan 8.290 nan 0.000 0.507 951 E N -0.230 119.921 120.200 -0.083 0.000 2.227 951 E HA 0.759 5.098 4.350 -0.018 0.000 0.282 951 E C 1.103 177.687 176.600 -0.026 0.000 1.015 951 E CA 0.463 56.800 56.400 -0.104 0.000 0.823 951 E CB 0.959 30.554 29.700 -0.175 0.000 1.081 951 E HN 0.514 nan 8.360 nan 0.000 0.396 952 A N 4.251 127.008 122.820 -0.104 0.000 2.014 952 A HA 0.086 4.395 4.320 -0.018 0.000 0.210 952 A C 0.283 177.844 177.584 -0.038 0.000 1.188 952 A CA 0.072 52.108 52.037 -0.003 0.000 0.731 952 A CB -0.147 18.861 19.000 0.013 0.000 0.858 952 A HN 0.624 nan 8.150 nan 0.000 0.464 953 N N 0.167 118.670 118.700 -0.329 0.000 2.415 953 N HA 0.392 5.121 4.740 -0.018 0.000 0.250 953 N C -1.372 173.767 175.510 -0.618 0.000 1.127 953 N CA 0.362 53.204 53.050 -0.346 0.000 0.945 953 N CB 0.099 38.405 38.487 -0.301 0.000 1.196 953 N HN 0.524 nan 8.380 nan 0.000 0.499 954 W N 2.280 123.511 121.300 -0.114 0.000 3.033 954 W HA 0.384 5.033 4.660 -0.018 0.000 0.336 954 W C -2.317 174.216 176.519 0.023 0.000 1.173 954 W CA -2.211 55.096 57.345 -0.063 0.000 1.185 954 W CB 1.228 30.625 29.460 -0.104 0.000 1.425 954 W HN 0.263 nan 8.180 nan 0.000 0.536 955 P HA 0.152 nan 4.420 nan 0.000 0.266 955 P C -0.847 176.618 177.300 0.276 0.000 1.215 955 P CA 0.607 63.874 63.100 0.278 0.000 0.763 955 P CB 0.316 32.219 31.700 0.338 0.000 0.806 956 L N 6.224 127.584 121.223 0.228 0.000 2.493 956 L HA 0.426 4.755 4.340 -0.018 0.000 0.265 956 L C -2.491 174.504 176.870 0.209 0.000 0.954 956 L CA -2.552 52.436 54.840 0.247 0.000 0.844 956 L CB 2.933 45.175 42.059 0.306 0.000 1.302 956 L HN 0.125 nan 8.230 nan 0.000 0.405 957 P HA 0.077 nan 4.420 nan 0.000 0.268 957 P C -0.858 176.501 177.300 0.097 0.000 1.208 957 P CA 0.074 63.193 63.100 0.032 0.000 0.777 957 P CB 0.435 32.028 31.700 -0.179 0.000 0.875 958 V N 0.013 119.975 119.914 0.079 0.000 3.708 958 V HA -0.226 3.883 4.120 -0.018 0.000 0.505 958 V C 0.560 176.751 176.094 0.161 0.000 0.682 958 V CA 0.184 62.556 62.300 0.121 0.000 2.034 958 V CB -1.366 30.563 31.823 0.176 0.000 2.447 958 V HN 0.790 nan 8.190 nan 0.000 0.509 959 N N 2.815 121.564 118.700 0.081 0.000 2.483 959 N HA 0.298 5.027 4.740 -0.018 0.000 0.264 959 N C 0.538 176.074 175.510 0.043 0.000 1.197 959 N CA -0.012 53.071 53.050 0.055 0.000 0.927 959 N CB 1.253 39.740 38.487 0.000 0.000 1.065 959 N HN 0.579 nan 8.380 nan 0.000 0.461 960 I N 3.218 123.811 120.570 0.037 0.000 2.499 960 I HA 0.038 4.197 4.170 -0.018 0.000 0.243 960 I C 2.268 178.347 176.117 -0.064 0.000 1.085 960 I CA 0.345 61.634 61.300 -0.018 0.000 1.422 960 I CB -0.487 37.501 38.000 -0.020 0.000 1.165 960 I HN 0.538 nan 8.210 nan 0.000 0.440 961 R N 1.213 121.685 120.500 -0.047 0.000 2.198 961 R HA -0.262 4.067 4.340 -0.018 0.000 0.258 961 R C 2.254 178.517 176.300 -0.061 0.000 1.173 961 R CA 2.028 58.090 56.100 -0.063 0.000 0.991 961 R CB -0.532 29.763 30.300 -0.009 0.000 0.879 961 R HN 0.302 nan 8.270 nan 0.000 0.460 962 R N -0.112 120.368 120.500 -0.034 0.000 2.052 962 R HA 0.057 4.387 4.340 -0.018 0.000 0.226 962 R C 2.184 178.478 176.300 -0.009 0.000 1.145 962 R CA 1.731 57.825 56.100 -0.010 0.000 0.952 962 R CB -0.251 30.052 30.300 0.005 0.000 0.847 962 R HN 0.351 nan 8.270 nan 0.000 0.431 963 I N 1.462 122.010 120.570 -0.036 0.000 2.700 963 I HA -0.233 3.926 4.170 -0.018 0.000 0.261 963 I C 1.755 177.865 176.117 -0.011 0.000 1.219 963 I CA 0.470 61.742 61.300 -0.046 0.000 1.463 963 I CB -0.261 37.631 38.000 -0.179 0.000 1.092 963 I HN 0.279 nan 8.210 nan 0.000 0.452 964 I N 0.898 121.413 120.570 -0.092 0.000 2.163 964 I HA -0.248 3.911 4.170 -0.018 0.000 0.240 964 I C 2.517 178.594 176.117 -0.066 0.000 1.081 964 I CA 1.751 62.954 61.300 -0.161 0.000 1.353 964 I CB -1.066 36.669 38.000 -0.442 0.000 1.054 964 I HN 0.355 nan 8.210 nan 0.000 0.407 965 Q N 0.164 119.926 119.800 -0.063 0.000 2.224 965 Q HA -0.121 4.208 4.340 -0.018 0.000 0.203 965 Q C 1.855 177.784 176.000 -0.118 0.000 0.970 965 Q CA 0.863 56.624 55.803 -0.070 0.000 0.865 965 Q CB -0.148 28.556 28.738 -0.056 0.000 0.922 965 Q HN 0.436 nan 8.270 nan 0.000 0.445 966 N N 0.143 118.847 118.700 0.006 0.000 2.459 966 N HA -0.033 4.696 4.740 -0.018 0.000 0.181 966 N C 1.301 176.964 175.510 0.254 0.000 1.046 966 N CA 0.929 54.047 53.050 0.113 0.000 0.904 966 N CB 0.166 38.829 38.487 0.293 0.000 0.964 966 N HN 0.264 nan 8.380 nan 0.000 0.444 967 A N 1.241 124.252 122.820 0.318 0.000 1.843 967 A HA -0.090 4.219 4.320 -0.018 0.000 0.213 967 A C 1.283 179.030 177.584 0.272 0.000 1.202 967 A CA 0.586 52.883 52.037 0.433 0.000 0.607 967 A CB -0.459 18.767 19.000 0.376 0.000 0.847 967 A HN 0.454 nan 8.150 nan 0.000 0.445 968 Q N -0.279 119.600 119.800 0.131 0.000 3.254 968 Q HA 0.291 4.620 4.340 -0.018 0.000 0.315 968 Q C -0.173 175.824 176.000 -0.004 0.000 1.405 968 Q CA 0.413 56.274 55.803 0.096 0.000 0.966 968 Q CB -0.172 28.612 28.738 0.078 0.000 1.706 968 Q HN 0.720 nan 8.270 nan 0.000 0.525 969 Q N -2.222 117.545 119.800 -0.055 0.000 1.560 969 Q HA 0.071 4.400 4.340 -0.018 0.000 0.150 969 Q C 0.273 176.100 176.000 -0.289 0.000 0.740 969 Q CA 0.354 56.016 55.803 -0.235 0.000 0.722 969 Q CB -0.465 28.079 28.738 -0.322 0.000 1.186 969 Q HN 0.173 nan 8.270 nan 0.000 0.354 970 T N -0.148 114.272 114.554 -0.222 0.000 2.983 970 T HA 0.246 4.585 4.350 -0.018 0.000 0.250 970 T C 0.045 174.381 174.700 -0.608 0.000 1.037 970 T CA 1.105 62.889 62.100 -0.526 0.000 1.142 970 T CB -0.057 68.257 68.868 -0.924 0.000 0.876 970 T HN 0.337 nan 8.240 nan 0.000 0.455 971 F N 1.092 121.050 119.950 0.012 0.000 2.735 971 F HA 0.325 4.841 4.527 -0.018 0.000 0.304 971 F C 0.551 176.407 175.800 0.093 0.000 1.119 971 F CA -1.803 56.221 58.000 0.041 0.000 1.280 971 F CB -1.534 37.437 39.000 -0.047 0.000 0.994 971 F HN 0.252 nan 8.300 nan 0.000 0.520 972 H N -0.118 119.001 119.070 0.082 0.000 3.201 972 H HA -0.093 4.452 4.556 -0.018 0.000 0.301 972 H C 1.583 176.933 175.328 0.036 0.000 0.948 972 H CA 0.285 56.364 56.048 0.052 0.000 1.369 972 H CB 0.947 30.723 29.762 0.024 0.000 1.293 972 H HN 0.442 nan 8.280 nan 0.000 0.575 973 I N 1.452 122.040 120.570 0.029 0.000 2.110 973 I HA -0.229 3.930 4.170 -0.018 0.000 0.236 973 I C 1.093 177.154 176.117 -0.092 0.000 1.068 973 I CA 1.712 62.984 61.300 -0.047 0.000 1.333 973 I CB 0.076 38.038 38.000 -0.063 0.000 1.054 973 I HN 0.717 nan 8.210 nan 0.000 0.402 974 D N -1.176 119.089 120.400 -0.225 0.000 2.454 974 D HA 0.160 4.789 4.640 -0.018 0.000 0.214 974 D C -0.035 175.901 176.300 -0.608 0.000 1.088 974 D CA 0.190 53.860 54.000 -0.549 0.000 0.855 974 D CB 0.394 40.666 40.800 -0.880 0.000 1.025 974 D HN 0.550 nan 8.370 nan 0.000 0.502 975 H N -0.410 118.675 119.070 0.024 0.000 2.977 975 H HA 0.274 4.819 4.556 -0.018 0.000 0.350 975 H C -0.430 174.901 175.328 0.006 0.000 1.238 975 H CA -0.647 55.412 56.048 0.018 0.000 1.124 975 H CB 0.945 30.720 29.762 0.022 0.000 1.866 975 H HN -0.292 nan 8.280 nan 0.000 0.550 976 T N 1.962 116.601 114.554 0.142 0.000 3.414 976 T HA 0.246 4.585 4.350 -0.018 0.000 0.304 976 T C 0.172 174.895 174.700 0.038 0.000 1.241 976 T CA -0.601 61.549 62.100 0.085 0.000 1.076 976 T CB -0.557 68.352 68.868 0.068 0.000 1.134 976 T HN 0.208 nan 8.240 nan 0.000 0.759 977 K N 3.048 123.461 120.400 0.022 0.000 2.664 977 K HA 0.318 4.627 4.320 -0.018 0.000 0.298 977 K C -3.110 173.488 176.600 -0.003 0.000 1.152 977 K CA -0.960 55.335 56.287 0.013 0.000 1.038 977 K CB 2.238 34.754 32.500 0.027 0.000 1.342 977 K HN 0.245 nan 8.250 nan 0.000 0.496 978 P HA 0.307 nan 4.420 nan 0.000 0.284 978 P C -0.158 177.129 177.300 -0.021 0.000 1.287 978 P CA -0.510 62.581 63.100 -0.015 0.000 0.824 978 P CB 0.918 32.608 31.700 -0.016 0.000 1.180 979 S N -0.091 115.592 115.700 -0.028 0.000 2.606 979 S HA 0.138 4.597 4.470 -0.018 0.000 0.257 979 S C -0.059 174.518 174.600 -0.039 0.000 1.327 979 S CA 0.244 58.423 58.200 -0.035 0.000 0.984 979 S CB -0.376 62.796 63.200 -0.046 0.000 0.941 979 S HN 0.567 nan 8.310 nan 0.000 0.576 980 D N 0.092 120.464 120.400 -0.046 0.000 2.785 980 D HA 0.337 4.966 4.640 -0.018 0.000 0.324 980 D C -1.030 175.236 176.300 -0.057 0.000 1.523 980 D CA -0.341 53.632 54.000 -0.044 0.000 0.789 980 D CB -0.256 40.525 40.800 -0.032 0.000 1.171 980 D HN 0.258 nan 8.370 nan 0.000 0.447 981 L N 0.684 121.856 121.223 -0.084 0.000 2.346 981 L HA 0.536 4.865 4.340 -0.018 0.000 0.276 981 L C 0.379 177.185 176.870 -0.107 0.000 1.006 981 L CA -0.589 54.183 54.840 -0.113 0.000 0.817 981 L CB 1.954 43.892 42.059 -0.202 0.000 1.272 981 L HN -0.067 nan 8.230 nan 0.000 0.421 982 T N 1.952 116.453 114.554 -0.088 0.000 2.868 982 T HA 0.238 4.577 4.350 -0.018 0.000 0.292 982 T C 1.569 176.216 174.700 -0.089 0.000 1.028 982 T CA -0.528 61.529 62.100 -0.072 0.000 1.059 982 T CB 0.926 69.765 68.868 -0.049 0.000 0.991 982 T HN 0.345 nan 8.240 nan 0.000 0.531 983 I N 0.809 121.338 120.570 -0.068 0.000 3.241 983 I HA -0.050 4.109 4.170 -0.018 0.000 0.280 983 I C 1.871 177.957 176.117 -0.052 0.000 1.320 983 I CA 1.005 62.267 61.300 -0.064 0.000 1.413 983 I CB -1.234 36.742 38.000 -0.041 0.000 1.060 983 I HN 0.660 nan 8.210 nan 0.000 0.500 984 K N 0.825 121.196 120.400 -0.048 0.000 2.044 984 K HA -0.081 4.229 4.320 -0.018 0.000 0.204 984 K C 1.502 178.076 176.600 -0.043 0.000 1.045 984 K CA 0.930 57.196 56.287 -0.034 0.000 0.951 984 K CB -0.078 32.407 32.500 -0.024 0.000 0.738 984 K HN 0.185 nan 8.250 nan 0.000 0.443 985 D N 1.450 121.810 120.400 -0.066 0.000 2.158 985 D HA -0.158 4.471 4.640 -0.018 0.000 0.197 985 D C 1.954 178.172 176.300 -0.137 0.000 0.995 985 D CA 1.071 55.022 54.000 -0.081 0.000 0.846 985 D CB -0.198 40.535 40.800 -0.111 0.000 0.941 985 D HN 0.184 nan 8.370 nan 0.000 0.456 986 I N 0.185 120.626 120.570 -0.215 0.000 2.141 986 I HA -0.194 3.965 4.170 -0.018 0.000 0.236 986 I C 2.345 178.435 176.117 -0.045 0.000 1.071 986 I CA 0.736 61.875 61.300 -0.269 0.000 1.345 986 I CB -0.099 37.736 38.000 -0.274 0.000 1.066 986 I HN -0.105 nan 8.210 nan 0.000 0.406 987 V N 0.580 120.479 119.914 -0.025 0.000 2.535 987 V HA -0.179 3.930 4.120 -0.018 0.000 0.246 987 V C 2.206 178.313 176.094 0.023 0.000 1.045 987 V CA 1.108 63.417 62.300 0.015 0.000 1.058 987 V CB -0.267 31.564 31.823 0.013 0.000 0.689 987 V HN 0.373 nan 8.190 nan 0.000 0.461 988 L N 0.438 121.669 121.223 0.013 0.000 2.376 988 L HA 0.042 4.371 4.340 -0.018 0.000 0.219 988 L C 2.192 179.082 176.870 0.034 0.000 1.133 988 L CA 1.141 55.991 54.840 0.017 0.000 0.816 988 L CB -0.395 41.669 42.059 0.009 0.000 0.933 988 L HN 0.410 nan 8.230 nan 0.000 0.449 989 G N -1.090 107.747 108.800 0.062 0.000 2.404 989 G HA2 -0.150 3.799 3.960 -0.018 0.000 0.213 989 G HA3 -0.150 3.799 3.960 -0.018 0.000 0.213 989 G C 1.435 176.390 174.900 0.091 0.000 1.189 989 G CA 0.725 45.888 45.100 0.105 0.000 0.796 989 G HN 0.210 nan 8.290 nan 0.000 0.532 990 V N 1.210 121.189 119.914 0.108 0.000 2.287 990 V HA -0.213 3.896 4.120 -0.018 0.000 0.248 990 V C 2.627 178.724 176.094 0.005 0.000 1.053 990 V CA 2.333 64.669 62.300 0.060 0.000 1.027 990 V CB -0.554 31.311 31.823 0.070 0.000 0.646 990 V HN 0.411 nan 8.190 nan 0.000 0.447 991 K N -0.256 120.148 120.400 0.007 0.000 2.147 991 K HA -0.243 4.066 4.320 -0.018 0.000 0.205 991 K C 2.036 178.628 176.600 -0.013 0.000 1.049 991 K CA 1.691 57.971 56.287 -0.012 0.000 0.936 991 K CB -0.239 32.257 32.500 -0.007 0.000 0.722 991 K HN 0.589 nan 8.250 nan 0.000 0.446 992 D N 0.308 120.708 120.400 -0.000 0.000 2.162 992 D HA -0.128 4.501 4.640 -0.018 0.000 0.203 992 D C 2.009 178.302 176.300 -0.011 0.000 0.967 992 D CA 0.550 54.549 54.000 -0.001 0.000 0.840 992 D CB 0.229 41.036 40.800 0.012 0.000 0.972 992 D HN 0.194 nan 8.370 nan 0.000 0.482 993 L N 1.431 122.644 121.223 -0.017 0.000 2.046 993 L HA -0.141 4.188 4.340 -0.018 0.000 0.208 993 L C 2.375 179.206 176.870 -0.064 0.000 1.077 993 L CA 1.688 56.503 54.840 -0.041 0.000 0.747 993 L CB -0.740 41.285 42.059 -0.057 0.000 0.896 993 L HN -0.053 nan 8.230 nan 0.000 0.432 994 Q N -0.747 119.013 119.800 -0.068 0.000 2.297 994 Q HA -0.203 4.126 4.340 -0.018 0.000 0.208 994 Q C 1.973 177.938 176.000 -0.059 0.000 0.981 994 Q CA 1.637 57.391 55.803 -0.082 0.000 0.876 994 Q CB 0.056 28.747 28.738 -0.077 0.000 0.921 994 Q HN 0.625 nan 8.270 nan 0.000 0.446 995 E N 0.097 120.273 120.200 -0.039 0.000 2.060 995 E HA -0.088 4.252 4.350 -0.018 0.000 0.189 995 E C 0.823 177.414 176.600 -0.014 0.000 0.974 995 E CA 1.095 57.481 56.400 -0.022 0.000 0.808 995 E CB -0.096 29.596 29.700 -0.013 0.000 0.768 995 E HN 0.652 nan 8.360 nan 0.000 0.453 996 N N 0.760 119.451 118.700 -0.015 0.000 2.327 996 N HA 0.096 4.825 4.740 -0.018 0.000 0.231 996 N C 1.545 177.057 175.510 0.003 0.000 1.130 996 N CA -0.098 52.953 53.050 0.001 0.000 0.845 996 N CB 0.311 38.802 38.487 0.006 0.000 1.073 996 N HN 0.055 nan 8.380 nan 0.000 0.496 997 L N 0.037 121.241 121.223 -0.032 0.000 2.095 997 L HA 0.043 4.372 4.340 -0.018 0.000 0.204 997 L C 0.171 177.125 176.870 0.140 0.000 1.080 997 L CA 0.418 55.209 54.840 -0.082 0.000 0.759 997 L CB -0.134 41.703 42.059 -0.369 0.000 0.914 997 L HN 0.160 nan 8.230 nan 0.000 0.439 998 L N -1.396 119.903 121.223 0.126 0.000 0.622 998 L HA -0.250 4.079 4.340 -0.018 0.000 0.357 998 L C 0.474 177.504 176.870 0.265 0.000 1.005 998 L CA 0.430 55.370 54.840 0.166 0.000 1.222 998 L CB -0.961 41.165 42.059 0.112 0.000 0.023 998 L HN -0.028 nan 8.230 nan 0.000 0.106 999 V N 1.143 121.151 119.914 0.157 0.000 3.219 999 V HA 0.282 4.391 4.120 -0.018 0.000 0.214 999 V C 0.434 176.563 176.094 0.058 0.000 1.433 999 V CA 0.366 62.723 62.300 0.096 0.000 1.301 999 V CB 0.919 32.804 31.823 0.103 0.000 1.160 999 V HN 0.513 nan 8.190 nan 0.000 0.505 1000 L N 0.982 122.244 121.223 0.066 0.000 2.331 1000 L HA 0.611 4.940 4.340 -0.018 0.000 0.275 1000 L C -0.308 176.592 176.870 0.050 0.000 1.022 1000 L CA -0.322 54.552 54.840 0.056 0.000 0.812 1000 L CB 1.890 43.983 42.059 0.058 0.000 1.257 1000 L HN 0.188 nan 8.230 nan 0.000 0.435 1001 R N 1.114 121.641 120.500 0.045 0.000 2.740 1001 R HA 0.859 5.189 4.340 -0.018 0.000 0.282 1001 R C -0.477 175.842 176.300 0.033 0.000 0.969 1001 R CA -0.599 55.523 56.100 0.037 0.000 0.918 1001 R CB 2.086 32.407 30.300 0.034 0.000 1.175 1001 R HN 0.778 nan 8.270 nan 0.000 0.464 1002 G N 0.464 109.279 108.800 0.025 0.000 2.341 1002 G HA2 0.189 4.138 3.960 -0.018 0.000 0.299 1002 G HA3 0.189 4.138 3.960 -0.018 0.000 0.299 1002 G C -0.930 173.979 174.900 0.015 0.000 1.274 1002 G CA -0.518 44.595 45.100 0.021 0.000 0.853 1002 G HN 0.470 nan 8.290 nan 0.000 0.493 1003 K N -1.005 119.402 120.400 0.012 0.000 2.574 1003 K HA 0.176 4.485 4.320 -0.018 0.000 0.215 1003 K C 0.722 177.325 176.600 0.005 0.000 1.485 1003 K CA 0.351 56.643 56.287 0.008 0.000 1.006 1003 K CB 0.381 32.885 32.500 0.007 0.000 1.254 1003 K HN 0.630 nan 8.250 nan 0.000 0.580 1004 N N -0.180 118.523 118.700 0.005 0.000 2.408 1004 N HA 0.016 4.745 4.740 -0.018 0.000 0.260 1004 N C 0.611 176.120 175.510 -0.002 0.000 1.242 1004 N CA -0.318 52.733 53.050 0.002 0.000 0.959 1004 N CB 0.839 39.328 38.487 0.002 0.000 1.201 1004 N HN -0.155 nan 8.380 nan 0.000 0.511 1005 E N -0.209 119.987 120.200 -0.006 0.000 2.106 1005 E HA -0.021 4.318 4.350 -0.018 0.000 0.192 1005 E C 1.438 178.029 176.600 -0.015 0.000 0.984 1005 E CA 0.940 57.334 56.400 -0.010 0.000 0.806 1005 E CB -0.081 29.612 29.700 -0.012 0.000 0.750 1005 E HN 0.633 nan 8.360 nan 0.000 0.458 1006 I N 0.809 121.368 120.570 -0.019 0.000 2.286 1006 I HA -0.240 3.919 4.170 -0.018 0.000 0.248 1006 I C 2.046 178.147 176.117 -0.028 0.000 1.115 1006 I CA 0.907 62.188 61.300 -0.031 0.000 1.392 1006 I CB -0.846 37.131 38.000 -0.038 0.000 1.065 1006 I HN 0.210 nan 8.210 nan 0.000 0.418 1007 I N 0.846 121.409 120.570 -0.011 0.000 2.133 1007 I HA -0.239 3.920 4.170 -0.018 0.000 0.238 1007 I C 2.554 178.672 176.117 0.002 0.000 1.074 1007 I CA 1.343 62.644 61.300 0.001 0.000 1.342 1007 I CB -1.310 36.699 38.000 0.014 0.000 1.053 1007 I HN 0.336 nan 8.210 nan 0.000 0.404 1008 Q N 0.556 120.357 119.800 0.001 0.000 2.368 1008 Q HA -0.163 4.166 4.340 -0.018 0.000 0.210 1008 Q C 1.704 177.700 176.000 -0.006 0.000 0.982 1008 Q CA 0.911 56.715 55.803 0.001 0.000 0.884 1008 Q CB -0.424 28.314 28.738 -0.001 0.000 0.933 1008 Q HN 0.601 nan 8.270 nan 0.000 0.460 1009 N N 0.275 118.967 118.700 -0.013 0.000 2.305 1009 N HA 0.010 4.739 4.740 -0.018 0.000 0.179 1009 N C 1.601 177.098 175.510 -0.021 0.000 1.019 1009 N CA 0.999 54.036 53.050 -0.021 0.000 0.869 1009 N CB 0.059 38.529 38.487 -0.029 0.000 1.000 1009 N HN 0.195 nan 8.380 nan 0.000 0.431 1010 A N 1.144 123.949 122.820 -0.023 0.000 2.066 1010 A HA -0.148 4.161 4.320 -0.018 0.000 0.218 1010 A C 2.161 179.750 177.584 0.008 0.000 1.157 1010 A CA 1.180 53.206 52.037 -0.019 0.000 0.670 1010 A CB -0.344 18.637 19.000 -0.032 0.000 0.804 1010 A HN 0.252 nan 8.150 nan 0.000 0.453 1011 Q N 0.703 120.511 119.800 0.014 0.000 1.975 1011 Q HA -0.177 4.152 4.340 -0.018 0.000 0.205 1011 Q C 2.078 178.095 176.000 0.029 0.000 0.990 1011 Q CA 2.316 58.138 55.803 0.031 0.000 0.845 1011 Q CB -0.471 28.284 28.738 0.028 0.000 0.913 1011 Q HN 0.602 nan 8.270 nan 0.000 0.420 1012 R N -0.002 120.503 120.500 0.007 0.000 2.127 1012 R HA -0.116 4.213 4.340 -0.018 0.000 0.238 1012 R C 0.736 177.030 176.300 -0.010 0.000 1.134 1012 R CA 1.325 57.419 56.100 -0.009 0.000 0.975 1012 R CB -0.249 30.033 30.300 -0.029 0.000 0.865 1012 R HN 0.388 nan 8.270 nan 0.000 0.447 1013 D N -0.749 119.648 120.400 -0.005 0.000 2.395 1013 D HA 0.063 4.692 4.640 -0.018 0.000 0.250 1013 D C 0.578 176.890 176.300 0.021 0.000 1.203 1013 D CA 0.264 54.263 54.000 -0.000 0.000 0.872 1013 D CB 0.642 41.438 40.800 -0.007 0.000 0.941 1013 D HN 0.283 nan 8.370 nan 0.000 0.504 1014 A N -1.060 121.785 122.820 0.041 0.000 1.878 1014 A HA 0.075 4.384 4.320 -0.018 0.000 0.201 1014 A C 1.950 179.600 177.584 0.109 0.000 1.684 1014 A CA -0.050 52.028 52.037 0.069 0.000 1.113 1014 A CB 0.105 19.153 19.000 0.079 0.000 1.131 1014 A HN 0.118 nan 8.150 nan 0.000 0.472 1015 V N 0.933 120.917 119.914 0.116 0.000 2.343 1015 V HA -0.229 3.880 4.120 -0.018 0.000 0.247 1015 V C 2.486 178.649 176.094 0.115 0.000 1.051 1015 V CA 2.545 64.942 62.300 0.162 0.000 1.036 1015 V CB -1.899 29.981 31.823 0.096 0.000 0.654 1015 V HN 0.551 nan 8.190 nan 0.000 0.451 1016 T N 0.907 115.470 114.554 0.015 0.000 2.502 1016 T HA -0.430 3.909 4.350 -0.018 0.000 0.238 1016 T C 1.760 176.417 174.700 -0.071 0.000 1.324 1016 T CA 2.740 64.787 62.100 -0.089 0.000 1.111 1016 T CB -0.766 68.020 68.868 -0.137 0.000 0.835 1016 T HN 0.383 nan 8.240 nan 0.000 0.449 1017 L N -0.394 120.841 121.223 0.020 0.000 1.970 1017 L HA -0.056 4.273 4.340 -0.018 0.000 0.212 1017 L C 2.320 179.258 176.870 0.113 0.000 1.071 1017 L CA 1.769 56.650 54.840 0.068 0.000 0.751 1017 L CB -0.468 41.647 42.059 0.093 0.000 0.889 1017 L HN 0.265 nan 8.230 nan 0.000 0.432 1018 F N 0.140 120.112 119.950 0.038 0.000 2.111 1018 F HA -0.376 4.140 4.527 -0.018 0.000 0.300 1018 F C 2.447 178.242 175.800 -0.008 0.000 1.088 1018 F CA 1.826 59.857 58.000 0.052 0.000 1.243 1018 F CB -0.938 38.127 39.000 0.108 0.000 0.996 1018 F HN 0.194 nan 8.300 nan 0.000 0.483 1019 C N -0.009 119.174 119.300 -0.195 0.000 2.432 1019 C HA -0.233 4.216 4.460 -0.018 0.000 0.277 1019 C C 3.026 177.863 174.990 -0.256 0.000 1.249 1019 C CA 1.231 60.058 59.018 -0.318 0.000 1.725 1019 C CB -1.811 25.817 27.740 -0.187 0.000 2.028 1019 C HN 0.740 nan 8.230 nan 0.000 0.477 1020 C N 0.303 119.506 119.300 -0.162 0.000 2.403 1020 C HA -0.122 4.327 4.460 -0.018 0.000 0.282 1020 C C 2.424 177.357 174.990 -0.093 0.000 1.297 1020 C CA 0.749 59.700 59.018 -0.113 0.000 1.785 1020 C CB -1.815 25.894 27.740 -0.052 0.000 1.963 1020 C HN 0.672 nan 8.230 nan 0.000 0.507 1021 L N 0.261 121.412 121.223 -0.120 0.000 2.068 1021 L HA 0.056 4.385 4.340 -0.018 0.000 0.204 1021 L C 2.396 179.158 176.870 -0.180 0.000 1.076 1021 L CA 1.372 56.150 54.840 -0.104 0.000 0.753 1021 L CB -0.630 41.390 42.059 -0.065 0.000 0.910 1021 L HN 0.219 nan 8.230 nan 0.000 0.439 1022 L N -0.204 120.791 121.223 -0.380 0.000 2.012 1022 L HA -0.233 4.096 4.340 -0.018 0.000 0.210 1022 L C 2.731 179.502 176.870 -0.165 0.000 1.073 1022 L CA 1.769 56.394 54.840 -0.360 0.000 0.748 1022 L CB -0.397 41.326 42.059 -0.560 0.000 0.891 1022 L HN 0.209 nan 8.230 nan 0.000 0.431 1023 R N -0.953 119.456 120.500 -0.151 0.000 2.152 1023 R HA -0.124 4.205 4.340 -0.018 0.000 0.232 1023 R C 2.303 178.594 176.300 -0.014 0.000 1.117 1023 R CA 1.443 57.498 56.100 -0.076 0.000 0.981 1023 R CB -0.401 29.839 30.300 -0.100 0.000 0.870 1023 R HN 0.625 nan 8.270 nan 0.000 0.451 1024 S N -0.212 115.480 115.700 -0.013 0.000 2.458 1024 S HA 0.033 4.492 4.470 -0.018 0.000 0.223 1024 S C 1.782 176.520 174.600 0.230 0.000 1.019 1024 S CA 0.145 58.385 58.200 0.066 0.000 0.937 1024 S CB 0.192 63.388 63.200 -0.006 0.000 0.788 1024 S HN 0.162 nan 8.310 nan 0.000 0.511 1025 R N 0.547 121.135 120.500 0.146 0.000 2.206 1025 R HA 0.428 4.757 4.340 -0.018 0.000 0.198 1025 R C 0.648 177.096 176.300 0.247 0.000 0.986 1025 R CA 0.335 56.561 56.100 0.210 0.000 1.029 1025 R CB -0.120 30.263 30.300 0.139 0.000 0.966 1025 R HN 0.332 nan 8.270 nan 0.000 0.487 1026 L N 1.207 122.527 121.223 0.162 0.000 3.035 1026 L HA 0.404 4.733 4.340 -0.018 0.000 0.232 1026 L C -0.235 176.751 176.870 0.192 0.000 1.341 1026 L CA -0.666 54.295 54.840 0.202 0.000 1.177 1026 L CB 0.356 42.499 42.059 0.140 0.000 1.555 1026 L HN 0.039 nan 8.230 nan 0.000 0.473 1027 A N -0.717 122.221 122.820 0.197 0.000 2.317 1027 A HA 0.502 4.811 4.320 -0.018 0.000 0.327 1027 A C 1.215 178.867 177.584 0.114 0.000 1.178 1027 A CA -0.384 51.769 52.037 0.193 0.000 0.817 1027 A CB 0.877 20.093 19.000 0.361 0.000 1.189 1027 A HN 0.346 nan 8.150 nan 0.000 0.489 1028 T N 1.902 116.514 114.554 0.096 0.000 2.597 1028 T HA -0.215 4.124 4.350 -0.018 0.000 0.267 1028 T C 2.128 176.820 174.700 -0.014 0.000 1.053 1028 T CA 1.769 63.888 62.100 0.031 0.000 1.165 1028 T CB -0.266 68.622 68.868 0.034 0.000 0.863 1028 T HN 0.642 nan 8.240 nan 0.000 0.427 1029 R N 0.900 121.388 120.500 -0.020 0.000 2.143 1029 R HA -0.080 4.249 4.340 -0.018 0.000 0.239 1029 R C 2.652 178.854 176.300 -0.163 0.000 1.126 1029 R CA 1.597 57.643 56.100 -0.091 0.000 0.927 1029 R CB -0.570 29.656 30.300 -0.123 0.000 0.860 1029 R HN 0.377 nan 8.270 nan 0.000 0.433 1030 R N 0.138 120.494 120.500 -0.240 0.000 2.081 1030 R HA -0.066 4.263 4.340 -0.018 0.000 0.235 1030 R C 2.211 178.326 176.300 -0.308 0.000 1.131 1030 R CA 1.237 57.107 56.100 -0.383 0.000 0.960 1030 R CB -0.624 29.390 30.300 -0.476 0.000 0.856 1030 R HN 0.127 nan 8.270 nan 0.000 0.436 1031 V N 1.182 121.056 119.914 -0.068 0.000 3.026 1031 V HA -0.145 3.965 4.120 -0.018 0.000 0.265 1031 V C 1.870 177.977 176.094 0.021 0.000 1.121 1031 V CA 1.306 63.664 62.300 0.098 0.000 1.142 1031 V CB -0.371 31.542 31.823 0.151 0.000 0.730 1031 V HN 0.255 nan 8.190 nan 0.000 0.503 1032 L N -1.722 119.467 121.223 -0.055 0.000 3.086 1032 L HA 0.267 4.596 4.340 -0.018 0.000 0.274 1032 L C 1.755 178.583 176.870 -0.071 0.000 1.184 1032 L CA 0.281 55.089 54.840 -0.053 0.000 1.002 1032 L CB 0.474 42.498 42.059 -0.059 0.000 1.383 1032 L HN 0.214 nan 8.230 nan 0.000 0.582 1033 Q N -0.403 119.326 119.800 -0.118 0.000 2.652 1033 Q HA 0.057 4.386 4.340 -0.018 0.000 0.211 1033 Q C 1.564 177.482 176.000 -0.136 0.000 0.858 1033 Q CA 0.010 55.739 55.803 -0.123 0.000 0.895 1033 Q CB 0.814 29.464 28.738 -0.146 0.000 1.194 1033 Q HN 0.220 nan 8.270 nan 0.000 0.645 1034 E N 0.002 120.052 120.200 -0.250 0.000 2.060 1034 E HA -0.029 4.310 4.350 -0.018 0.000 0.189 1034 E C -0.087 176.455 176.600 -0.097 0.000 0.974 1034 E CA 0.758 57.012 56.400 -0.244 0.000 0.808 1034 E CB 0.129 29.568 29.700 -0.434 0.000 0.768 1034 E HN 0.332 nan 8.360 nan 0.000 0.453 1035 Y N 0.234 120.533 120.300 -0.000 0.000 2.328 1035 Y HA 0.484 5.023 4.550 -0.018 0.000 0.337 1035 Y C 0.625 176.534 175.900 0.014 0.000 1.008 1035 Y CA -0.814 57.297 58.100 0.019 0.000 1.129 1035 Y CB 0.947 39.434 38.460 0.044 0.000 1.185 1035 Y HN -0.354 nan 8.280 nan 0.000 0.476 1036 R N 3.871 124.451 120.500 0.134 0.000 2.790 1036 R HA 0.325 4.654 4.340 -0.018 0.000 0.274 1036 R C -1.087 175.252 176.300 0.066 0.000 1.334 1036 R CA -0.520 55.617 56.100 0.061 0.000 1.543 1036 R CB 0.326 30.632 30.300 0.009 0.000 1.154 1036 R HN 0.649 nan 8.270 nan 0.000 0.601 1037 L N 0.494 121.780 121.223 0.105 0.000 2.475 1037 L HA 0.274 4.603 4.340 -0.018 0.000 0.253 1037 L C 1.158 178.048 176.870 0.034 0.000 1.198 1037 L CA 0.439 55.342 54.840 0.105 0.000 0.814 1037 L CB 0.903 43.105 42.059 0.238 0.000 1.134 1037 L HN 0.391 nan 8.230 nan 0.000 0.478 1038 T N -2.735 111.822 114.554 0.005 0.000 2.930 1038 T HA 0.346 4.685 4.350 -0.018 0.000 0.290 1038 T C 0.743 175.436 174.700 -0.012 0.000 1.052 1038 T CA -0.766 61.314 62.100 -0.033 0.000 1.017 1038 T CB 1.539 70.366 68.868 -0.068 0.000 1.137 1038 T HN 0.478 nan 8.240 nan 0.000 0.511 1039 K N 0.657 121.044 120.400 -0.022 0.000 2.077 1039 K HA -0.235 4.074 4.320 -0.018 0.000 0.213 1039 K C 2.303 178.921 176.600 0.029 0.000 1.051 1039 K CA 2.338 58.630 56.287 0.009 0.000 0.929 1039 K CB -0.363 32.132 32.500 -0.008 0.000 0.715 1039 K HN 0.746 nan 8.250 nan 0.000 0.451 1040 Q N -1.361 118.409 119.800 -0.049 0.000 2.049 1040 Q HA -0.017 4.312 4.340 -0.018 0.000 0.198 1040 Q C 1.855 177.742 176.000 -0.189 0.000 0.971 1040 Q CA 1.410 57.158 55.803 -0.092 0.000 0.833 1040 Q CB -0.157 28.508 28.738 -0.122 0.000 0.896 1040 Q HN 0.440 nan 8.270 nan 0.000 0.434 1041 A N -0.516 122.059 122.820 -0.408 0.000 2.067 1041 A HA -0.094 4.215 4.320 -0.018 0.000 0.217 1041 A C 1.670 179.262 177.584 0.013 0.000 1.156 1041 A CA 0.484 52.196 52.037 -0.542 0.000 0.683 1041 A CB -0.517 17.987 19.000 -0.827 0.000 0.808 1041 A HN 0.534 nan 8.150 nan 0.000 0.455 1042 F N 1.009 120.923 119.950 -0.060 0.000 2.118 1042 F HA -0.080 4.436 4.527 -0.018 0.000 0.293 1042 F C 1.764 177.588 175.800 0.040 0.000 1.102 1042 F CA 1.806 59.812 58.000 0.010 0.000 1.247 1042 F CB -0.091 38.906 39.000 -0.004 0.000 1.017 1042 F HN 0.205 nan 8.300 nan 0.000 0.475 1043 D N -0.262 120.270 120.400 0.220 0.000 2.149 1043 D HA -0.282 4.347 4.640 -0.018 0.000 0.194 1043 D C 1.704 178.063 176.300 0.097 0.000 1.001 1043 D CA 1.573 55.654 54.000 0.135 0.000 0.849 1043 D CB -0.806 40.075 40.800 0.135 0.000 0.939 1043 D HN 0.506 nan 8.370 nan 0.000 0.449 1044 W N 1.391 122.655 121.300 -0.061 0.000 2.352 1044 W HA -0.228 4.421 4.660 -0.018 0.000 0.322 1044 W C 2.302 178.772 176.519 -0.081 0.000 1.208 1044 W CA 1.363 58.690 57.345 -0.031 0.000 1.286 1044 W CB -0.769 28.711 29.460 0.033 0.000 1.167 1044 W HN -0.202 nan 8.180 nan 0.000 0.469 1045 V N 1.502 121.345 119.914 -0.119 0.000 2.363 1045 V HA -0.377 3.732 4.120 -0.018 0.000 0.254 1045 V C 2.348 178.186 176.094 -0.427 0.000 1.074 1045 V CA 2.099 64.168 62.300 -0.385 0.000 1.069 1045 V CB -1.142 30.479 31.823 -0.337 0.000 0.659 1045 V HN 0.293 nan 8.190 nan 0.000 0.455 1046 L N -0.739 120.245 121.223 -0.398 0.000 1.993 1046 L HA -0.118 4.211 4.340 -0.018 0.000 0.206 1046 L C 2.623 179.379 176.870 -0.189 0.000 1.074 1046 L CA 1.824 56.490 54.840 -0.289 0.000 0.746 1046 L CB -0.824 41.109 42.059 -0.211 0.000 0.896 1046 L HN 0.245 nan 8.230 nan 0.000 0.435 1047 S N -0.304 115.312 115.700 -0.140 0.000 2.420 1047 S HA -0.194 4.265 4.470 -0.018 0.000 0.237 1047 S C 1.727 176.230 174.600 -0.162 0.000 1.023 1047 S CA 1.270 59.413 58.200 -0.096 0.000 0.991 1047 S CB -0.408 62.781 63.200 -0.018 0.000 0.792 1047 S HN 0.393 nan 8.310 nan 0.000 0.488 1048 N N 0.723 119.227 118.700 -0.326 0.000 2.251 1048 N HA 0.102 4.831 4.740 -0.018 0.000 0.181 1048 N C 1.697 177.067 175.510 -0.233 0.000 1.019 1048 N CA 0.695 53.511 53.050 -0.390 0.000 0.862 1048 N CB -0.014 37.976 38.487 -0.829 0.000 0.992 1048 N HN 0.317 nan 8.380 nan 0.000 0.429 1049 I N 1.476 121.920 120.570 -0.211 0.000 2.226 1049 I HA -0.243 3.916 4.170 -0.018 0.000 0.245 1049 I C 2.477 178.604 176.117 0.016 0.000 1.100 1049 I CA 1.111 62.366 61.300 -0.075 0.000 1.374 1049 I CB -0.375 37.579 38.000 -0.077 0.000 1.057 1049 I HN 0.321 nan 8.210 nan 0.000 0.413 1050 E N 1.414 121.600 120.200 -0.024 0.000 2.023 1050 E HA -0.258 4.081 4.350 -0.018 0.000 0.196 1050 E C 2.283 178.920 176.600 0.062 0.000 1.003 1050 E CA 1.592 58.009 56.400 0.027 0.000 0.809 1050 E CB -0.061 29.634 29.700 -0.008 0.000 0.755 1050 E HN 0.440 nan 8.360 nan 0.000 0.449 1051 A N 0.950 123.771 122.820 0.001 0.000 1.940 1051 A HA -0.234 4.075 4.320 -0.018 0.000 0.219 1051 A C 2.161 179.747 177.584 0.005 0.000 1.176 1051 A CA 1.490 53.527 52.037 0.000 0.000 0.631 1051 A CB -0.505 18.478 19.000 -0.029 0.000 0.814 1051 A HN 0.331 nan 8.150 nan 0.000 0.446 1052 Q N -1.563 118.236 119.800 -0.002 0.000 2.020 1052 Q HA -0.175 4.154 4.340 -0.018 0.000 0.202 1052 Q C 1.942 177.971 176.000 0.048 0.000 0.982 1052 Q CA 1.517 57.322 55.803 0.004 0.000 0.838 1052 Q CB -0.489 28.251 28.738 0.003 0.000 0.899 1052 Q HN 0.681 nan 8.270 nan 0.000 0.423 1053 F N 2.402 122.308 119.950 -0.074 0.000 2.011 1053 F HA -0.237 4.280 4.527 -0.018 0.000 0.296 1053 F C 2.064 177.815 175.800 -0.081 0.000 1.144 1053 F CA 1.437 59.370 58.000 -0.110 0.000 1.185 1053 F CB -0.559 38.384 39.000 -0.096 0.000 0.961 1053 F HN 0.097 nan 8.300 nan 0.000 0.485 1054 L N -0.270 120.983 121.223 0.050 0.000 2.700 1054 L HA 0.033 4.362 4.340 -0.018 0.000 0.240 1054 L C 1.398 178.215 176.870 -0.089 0.000 1.162 1054 L CA 1.076 55.883 54.840 -0.054 0.000 0.874 1054 L CB -1.272 40.811 42.059 0.040 0.000 1.001 1054 L HN 0.327 nan 8.230 nan 0.000 0.447 1055 R N -0.055 120.402 120.500 -0.072 0.000 2.254 1055 R HA 0.130 4.459 4.340 -0.018 0.000 0.195 1055 R C 1.404 177.731 176.300 0.045 0.000 0.957 1055 R CA 0.452 56.532 56.100 -0.032 0.000 1.024 1055 R CB 0.219 30.491 30.300 -0.047 0.000 0.952 1055 R HN 0.352 nan 8.270 nan 0.000 0.484 1056 S N 0.859 116.517 115.700 -0.070 0.000 2.634 1056 S HA 0.104 4.564 4.470 -0.018 0.000 0.221 1056 S C 0.563 175.009 174.600 -0.256 0.000 0.952 1056 S CA -0.208 57.975 58.200 -0.028 0.000 0.930 1056 S CB 0.227 63.320 63.200 -0.179 0.000 0.780 1056 S HN -0.058 nan 8.310 nan 0.000 0.498 1057 V N 3.006 122.744 119.914 -0.294 0.000 2.843 1057 V HA 0.068 4.177 4.120 -0.018 0.000 0.305 1057 V C 0.676 176.596 176.094 -0.291 0.000 1.065 1057 V CA -0.679 61.439 62.300 -0.304 0.000 1.116 1057 V CB 0.545 32.190 31.823 -0.297 0.000 0.968 1057 V HN 0.336 nan 8.190 nan 0.000 0.487 1058 V N 2.362 122.131 119.914 -0.240 0.000 2.521 1058 V HA 0.228 4.337 4.120 -0.018 0.000 0.286 1058 V C 0.434 176.386 176.094 -0.236 0.000 1.034 1058 V CA -0.559 61.590 62.300 -0.251 0.000 1.045 1058 V CB -0.195 31.441 31.823 -0.313 0.000 0.974 1058 V HN 0.782 nan 8.190 nan 0.000 0.480 1059 H N 5.238 124.192 119.070 -0.193 0.000 2.848 1059 H HA 0.204 4.749 4.556 -0.018 0.000 0.317 1059 H C -2.300 172.900 175.328 -0.214 0.000 1.046 1059 H CA -1.376 54.580 56.048 -0.153 0.000 1.470 1059 H CB 1.156 30.849 29.762 -0.114 0.000 1.483 1059 H HN 0.542 nan 8.280 nan 0.000 0.548 1060 P HA 0.013 nan 4.420 nan 0.000 0.258 1060 P C 0.884 177.888 177.300 -0.493 0.000 1.214 1060 P CA 0.785 63.625 63.100 -0.434 0.000 0.872 1060 P CB 0.354 31.618 31.700 -0.726 0.000 0.890 1061 G N 2.412 111.017 108.800 -0.325 0.000 3.675 1061 G HA2 -0.138 3.811 3.960 -0.018 0.000 0.206 1061 G HA3 -0.138 3.811 3.960 -0.018 0.000 0.206 1061 G C -0.034 174.761 174.900 -0.175 0.000 1.086 1061 G CA -0.506 44.465 45.100 -0.215 0.000 0.894 1061 G HN 0.393 nan 8.290 nan 0.000 0.412 1062 E N 1.934 122.037 120.200 -0.161 0.000 2.829 1062 E HA 0.037 4.376 4.350 -0.018 0.000 0.264 1062 E C 0.367 176.868 176.600 -0.166 0.000 0.922 1062 E CA 0.712 57.012 56.400 -0.166 0.000 0.960 1062 E CB 0.181 29.751 29.700 -0.217 0.000 0.918 1062 E HN 0.302 nan 8.360 nan 0.000 0.497 1063 M N 4.362 123.882 119.600 -0.134 0.000 2.206 1063 M HA 0.086 4.555 4.480 -0.018 0.000 0.353 1063 M C 0.819 177.070 176.300 -0.082 0.000 1.242 1063 M CA -0.262 54.972 55.300 -0.111 0.000 1.179 1063 M CB 0.534 33.074 32.600 -0.099 0.000 1.374 1063 M HN 0.161 nan 8.290 nan 0.000 0.427 1064 V N 1.690 121.572 119.914 -0.054 0.000 3.174 1064 V HA 0.045 4.154 4.120 -0.018 0.000 0.254 1064 V C 2.279 178.401 176.094 0.047 0.000 1.120 1064 V CA 1.458 63.778 62.300 0.033 0.000 1.114 1064 V CB -0.665 31.254 31.823 0.161 0.000 0.756 1064 V HN 0.941 nan 8.190 nan 0.000 0.467 1065 G N 1.258 110.056 108.800 -0.003 0.000 2.529 1065 G HA2 -0.249 3.700 3.960 -0.018 0.000 0.219 1065 G HA3 -0.249 3.700 3.960 -0.018 0.000 0.219 1065 G C 1.594 176.454 174.900 -0.067 0.000 1.177 1065 G CA 1.751 46.825 45.100 -0.042 0.000 0.773 1065 G HN 0.389 nan 8.290 nan 0.000 0.573 1066 V N 0.530 120.402 119.914 -0.069 0.000 2.307 1066 V HA -0.073 4.036 4.120 -0.018 0.000 0.245 1066 V C 2.655 178.696 176.094 -0.089 0.000 1.045 1066 V CA 1.347 63.600 62.300 -0.078 0.000 1.024 1066 V CB -0.557 31.223 31.823 -0.070 0.000 0.651 1066 V HN 0.284 nan 8.190 nan 0.000 0.449 1067 L N 0.786 121.962 121.223 -0.079 0.000 2.191 1067 L HA -0.031 4.298 4.340 -0.018 0.000 0.212 1067 L C 2.305 179.044 176.870 -0.219 0.000 1.103 1067 L CA 2.084 56.853 54.840 -0.119 0.000 0.769 1067 L CB -1.059 40.970 42.059 -0.050 0.000 0.908 1067 L HN 0.287 nan 8.230 nan 0.000 0.438 1068 A N -1.281 121.485 122.820 -0.090 0.000 2.072 1068 A HA 0.315 4.624 4.320 -0.018 0.000 0.216 1068 A C 1.968 179.480 177.584 -0.120 0.000 1.156 1068 A CA 0.762 52.769 52.037 -0.050 0.000 0.701 1068 A CB -0.651 18.382 19.000 0.055 0.000 0.816 1068 A HN 0.448 nan 8.150 nan 0.000 0.458 1069 A N -0.116 122.625 122.820 -0.132 0.000 3.184 1069 A HA -0.170 4.139 4.320 -0.018 0.000 0.522 1069 A C 1.407 178.869 177.584 -0.205 0.000 0.679 1069 A CA 1.587 53.535 52.037 -0.148 0.000 1.974 1069 A CB -0.829 18.098 19.000 -0.121 0.000 1.115 1069 A HN 0.355 nan 8.150 nan 0.000 0.633 1070 Q N -0.630 119.065 119.800 -0.175 0.000 2.595 1070 Q HA -0.084 4.245 4.340 -0.018 0.000 0.219 1070 Q C 1.996 177.902 176.000 -0.157 0.000 0.984 1070 Q CA 1.638 57.354 55.803 -0.145 0.000 0.910 1070 Q CB -0.308 28.349 28.738 -0.134 0.000 0.956 1070 Q HN 0.596 nan 8.270 nan 0.000 0.533 1071 S N -1.774 113.823 115.700 -0.172 0.000 2.694 1071 S HA 0.135 4.594 4.470 -0.018 0.000 0.225 1071 S C 0.941 175.458 174.600 -0.137 0.000 1.012 1071 S CA 0.081 58.169 58.200 -0.187 0.000 0.896 1071 S CB 0.331 63.333 63.200 -0.330 0.000 0.838 1071 S HN 0.214 nan 8.310 nan 0.000 0.604 1072 I N 0.968 121.466 120.570 -0.120 0.000 4.906 1072 I HA -0.339 3.820 4.170 -0.018 0.000 0.038 1072 I C 1.708 177.758 176.117 -0.110 0.000 0.635 1072 I CA 2.053 63.285 61.300 -0.114 0.000 0.218 1072 I CB -2.001 35.924 38.000 -0.125 0.000 0.325 1072 I HN 0.479 nan 8.210 nan 0.000 0.150 1073 G N 1.240 109.971 108.800 -0.115 0.000 3.279 1073 G HA2 0.057 4.006 3.960 -0.018 0.000 0.230 1073 G HA3 0.057 4.006 3.960 -0.018 0.000 0.230 1073 G C 1.150 175.981 174.900 -0.116 0.000 1.230 1073 G CA 0.654 45.693 45.100 -0.102 0.000 0.891 1073 G HN 0.676 nan 8.290 nan 0.000 0.518 1074 E N 1.025 121.140 120.200 -0.142 0.000 2.098 1074 E HA 0.049 4.388 4.350 -0.018 0.000 0.196 1074 E C -0.387 176.122 176.600 -0.151 0.000 0.955 1074 E CA 0.132 56.417 56.400 -0.192 0.000 0.936 1074 E CB -0.204 29.331 29.700 -0.275 0.000 1.054 1074 E HN 0.177 nan 8.360 nan 0.000 0.482 1075 P HA -0.183 nan 4.420 nan 0.000 0.214 1075 P C 1.401 178.653 177.300 -0.080 0.000 1.163 1075 P CA 2.357 65.400 63.100 -0.094 0.000 0.889 1075 P CB -0.333 31.324 31.700 -0.072 0.000 0.790 1076 A N 0.218 122.993 122.820 -0.074 0.000 1.883 1076 A HA -0.344 3.965 4.320 -0.018 0.000 0.232 1076 A C 2.400 179.954 177.584 -0.049 0.000 1.671 1076 A CA 3.882 55.885 52.037 -0.057 0.000 0.748 1076 A CB -2.239 16.728 19.000 -0.055 0.000 0.850 1076 A HN 0.326 nan 8.150 nan 0.000 0.488 1077 T N -0.792 113.728 114.554 -0.056 0.000 2.635 1077 T HA -0.188 4.151 4.350 -0.018 0.000 0.267 1077 T C 1.911 176.586 174.700 -0.043 0.000 1.040 1077 T CA 1.582 63.656 62.100 -0.044 0.000 1.156 1077 T CB -0.248 68.587 68.868 -0.055 0.000 0.863 1077 T HN 0.510 nan 8.240 nan 0.000 0.430 1078 Q N -0.365 119.398 119.800 -0.062 0.000 2.403 1078 Q HA 0.218 4.547 4.340 -0.018 0.000 0.203 1078 Q C 1.622 177.582 176.000 -0.066 0.000 0.932 1078 Q CA 0.258 56.025 55.803 -0.059 0.000 0.945 1078 Q CB 0.069 28.766 28.738 -0.069 0.000 1.045 1078 Q HN 0.528 nan 8.270 nan 0.000 0.511 1079 M N -1.138 118.424 119.600 -0.063 0.000 2.382 1079 M HA 0.066 4.535 4.480 -0.018 0.000 0.247 1079 M C 1.085 177.354 176.300 -0.051 0.000 1.104 1079 M CA 0.255 55.515 55.300 -0.067 0.000 1.030 1079 M CB 0.589 33.151 32.600 -0.062 0.000 1.424 1079 M HN -0.092 nan 8.290 nan 0.000 0.486 1080 T N -0.072 114.463 114.554 -0.032 0.000 2.898 1080 T HA 0.358 4.697 4.350 -0.018 0.000 0.283 1080 T C 0.870 175.568 174.700 -0.004 0.000 1.059 1080 T CA -0.254 61.840 62.100 -0.009 0.000 0.958 1080 T CB 0.624 69.498 68.868 0.010 0.000 1.594 1080 T HN 0.303 nan 8.240 nan 0.000 0.598 1081 L N 1.008 122.250 121.223 0.033 0.000 4.839 1081 L HA -0.238 4.091 4.340 -0.018 0.000 0.445 1081 L C 1.297 178.187 176.870 0.033 0.000 1.101 1081 L CA 2.376 57.242 54.840 0.044 0.000 0.952 1081 L CB -1.907 40.161 42.059 0.014 0.000 1.871 1081 L HN 0.720 nan 8.230 nan 0.000 0.893 1082 N N -0.819 117.875 118.700 -0.010 0.000 2.006 1082 N HA -0.150 4.580 4.740 -0.018 0.000 0.196 1082 N C 1.337 176.797 175.510 -0.083 0.000 1.070 1082 N CA 3.336 56.346 53.050 -0.066 0.000 0.859 1082 N CB 0.113 38.508 38.487 -0.153 0.000 1.060 1082 N HN 0.849 nan 8.380 nan 0.000 0.424 1083 T N -2.799 111.727 114.554 -0.047 0.000 3.511 1083 T HA 0.087 4.426 4.350 -0.018 0.000 0.220 1083 T C 0.742 175.479 174.700 0.060 0.000 0.962 1083 T CA 0.417 62.596 62.100 0.132 0.000 1.099 1083 T CB -0.665 68.393 68.868 0.317 0.000 1.197 1083 T HN 0.199 nan 8.240 nan 0.000 0.343 1084 F N 4.304 124.219 119.950 -0.059 0.000 1.426 1084 F HA -0.224 4.292 4.527 -0.018 0.000 0.079 1084 F C 0.384 176.166 175.800 -0.031 0.000 0.181 1084 F CA 0.401 58.363 58.000 -0.063 0.000 0.329 1084 F CB -1.272 37.709 39.000 -0.032 0.000 0.719 1084 F HN 0.802 nan 8.300 nan 0.000 0.662 1085 H N 3.370 121.564 119.070 -1.460 0.000 3.120 1085 H HA -0.136 4.409 4.556 -0.018 0.000 0.296 1085 H C 0.371 175.352 175.328 -0.579 0.000 0.945 1085 H CA 1.578 56.960 56.048 -1.110 0.000 1.304 1085 H CB -0.299 28.518 29.762 -1.575 0.000 1.142 1085 H HN 0.723 nan 8.280 nan 0.000 0.605 1086 F N -2.097 118.078 119.950 0.376 0.000 2.302 1086 F HA 0.386 4.902 4.527 -0.018 0.000 0.413 1086 F C 0.610 176.577 175.800 0.279 0.000 0.835 1086 F CA 0.087 58.350 58.000 0.438 0.000 0.891 1086 F CB -0.434 38.722 39.000 0.259 0.000 1.125 1086 F HN 0.631 nan 8.300 nan 0.000 0.586 1087 A N 0.704 123.931 122.820 0.678 0.000 2.686 1087 A HA 0.827 5.136 4.320 -0.018 0.000 0.178 1087 A C 0.404 178.160 177.584 0.288 0.000 1.076 1087 A CA 0.137 52.402 52.037 0.381 0.000 1.681 1087 A CB -0.391 18.856 19.000 0.412 0.000 2.250 1087 A HN 0.615 nan 8.150 nan 0.000 0.846 1088 G N -1.172 107.774 108.800 0.244 0.000 2.509 1088 G HA2 0.520 4.469 3.960 -0.018 0.000 0.328 1088 G HA3 0.520 4.469 3.960 -0.018 0.000 0.328 1088 G C 0.522 175.540 174.900 0.197 0.000 1.194 1088 G CA 0.416 45.621 45.100 0.174 0.000 0.967 1088 G HN 1.174 nan 8.290 nan 0.000 0.488 1089 V N 0.264 120.269 119.914 0.151 0.000 2.326 1089 V HA 0.395 4.504 4.120 -0.018 0.000 0.238 1089 V C 1.873 178.023 176.094 0.092 0.000 1.038 1089 V CA 2.920 65.281 62.300 0.103 0.000 1.032 1089 V CB 0.269 32.139 31.823 0.077 0.000 0.675 1089 V HN 1.066 nan 8.190 nan 0.000 0.467 1090 A N -0.748 122.125 122.820 0.088 0.000 1.655 1090 A HA 0.344 4.653 4.320 -0.018 0.000 0.180 1090 A C 1.012 178.643 177.584 0.077 0.000 1.582 1090 A CA 0.715 52.820 52.037 0.114 0.000 1.292 1090 A CB -0.464 18.619 19.000 0.139 0.000 1.144 1090 A HN 0.732 nan 8.150 nan 0.000 0.609 1091 S N 2.003 117.735 115.700 0.053 0.000 2.566 1091 S HA 0.335 4.794 4.470 -0.018 0.000 0.280 1091 S C 0.118 174.738 174.600 0.034 0.000 1.343 1091 S CA 0.087 58.307 58.200 0.034 0.000 1.036 1091 S CB -0.039 63.175 63.200 0.022 0.000 0.866 1091 S HN 0.667 nan 8.310 nan 0.000 0.526 1092 K N 0.710 121.127 120.400 0.028 0.000 2.237 1092 K HA 0.270 4.579 4.320 -0.018 0.000 0.270 1092 K C -0.450 176.158 176.600 0.013 0.000 1.015 1092 K CA -0.848 55.451 56.287 0.020 0.000 0.949 1092 K CB 0.212 32.725 32.500 0.021 0.000 0.976 1092 K HN 0.497 nan 8.250 nan 0.000 0.472 1093 K N 0.796 121.200 120.400 0.007 0.000 4.278 1093 K HA -0.125 4.185 4.320 -0.018 0.000 0.306 1093 K C -0.872 175.729 176.600 0.002 0.000 1.041 1093 K CA 0.550 56.836 56.287 -0.002 0.000 0.957 1093 K CB -0.966 31.527 32.500 -0.013 0.000 1.522 1093 K HN 0.616 nan 8.250 nan 0.000 0.437 1094 V N 1.107 121.026 119.914 0.009 0.000 3.503 1094 V HA 0.104 4.213 4.120 -0.018 0.000 0.426 1094 V C 0.684 176.786 176.094 0.013 0.000 1.555 1094 V CA 0.931 63.236 62.300 0.007 0.000 1.586 1094 V CB 0.882 32.710 31.823 0.008 0.000 1.152 1094 V HN 0.675 nan 8.190 nan 0.000 0.571 1095 T N -4.062 110.501 114.554 0.015 0.000 3.191 1095 T HA 0.104 4.444 4.350 -0.018 0.000 0.285 1095 T C 1.444 176.155 174.700 0.018 0.000 0.887 1095 T CA 0.849 62.960 62.100 0.017 0.000 0.881 1095 T CB 0.365 69.244 68.868 0.018 0.000 1.217 1095 T HN 0.536 nan 8.240 nan 0.000 0.591 1096 S N 1.112 116.823 115.700 0.018 0.000 2.370 1096 S HA 0.676 5.135 4.470 -0.018 0.000 0.214 1096 S C 1.528 176.142 174.600 0.024 0.000 1.033 1096 S CA 0.945 59.157 58.200 0.021 0.000 0.941 1096 S CB -0.253 62.960 63.200 0.021 0.000 0.886 1096 S HN 1.426 nan 8.310 nan 0.000 0.521 1097 G N 0.204 109.018 108.800 0.023 0.000 2.350 1097 G HA2 -0.010 3.939 3.960 -0.018 0.000 0.085 1097 G HA3 -0.010 3.939 3.960 -0.018 0.000 0.085 1097 G C 0.454 175.362 174.900 0.013 0.000 1.159 1097 G CA -0.034 45.075 45.100 0.016 0.000 1.146 1097 G HN 0.752 nan 8.290 nan 0.000 0.449 1098 V N 3.665 123.586 119.914 0.011 0.000 2.809 1098 V HA 0.100 4.209 4.120 -0.018 0.000 0.256 1098 V C 0.302 176.411 176.094 0.024 0.000 1.080 1098 V CA 2.593 64.900 62.300 0.012 0.000 1.102 1098 V CB -0.494 31.335 31.823 0.010 0.000 0.705 1098 V HN 0.532 nan 8.190 nan 0.000 0.475 1099 P HA -0.123 nan 4.420 nan 0.000 0.220 1099 P C 1.616 178.942 177.300 0.042 0.000 1.152 1099 P CA 1.069 64.191 63.100 0.037 0.000 0.812 1099 P CB -0.163 31.557 31.700 0.032 0.000 0.792 1100 R N -0.537 119.986 120.500 0.038 0.000 2.148 1100 R HA 0.002 4.331 4.340 -0.018 0.000 0.227 1100 R C 2.251 178.582 176.300 0.053 0.000 1.103 1100 R CA 0.585 56.714 56.100 0.049 0.000 0.983 1100 R CB -0.682 29.644 30.300 0.044 0.000 0.874 1100 R HN 0.209 nan 8.270 nan 0.000 0.451 1101 L N 1.027 122.270 121.223 0.034 0.000 2.179 1101 L HA -0.108 4.221 4.340 -0.018 0.000 0.208 1101 L C 1.994 178.887 176.870 0.038 0.000 1.096 1101 L CA 1.466 56.319 54.840 0.022 0.000 0.779 1101 L CB -0.359 41.698 42.059 -0.004 0.000 0.922 1101 L HN 0.081 nan 8.230 nan 0.000 0.443 1102 K N 0.032 120.462 120.400 0.049 0.000 2.283 1102 K HA -0.177 4.132 4.320 -0.018 0.000 0.202 1102 K C 1.718 178.369 176.600 0.084 0.000 1.048 1102 K CA 1.146 57.473 56.287 0.067 0.000 0.948 1102 K CB 0.223 32.769 32.500 0.077 0.000 0.742 1102 K HN 0.456 nan 8.250 nan 0.000 0.458 1103 E N 0.280 120.534 120.200 0.089 0.000 2.016 1103 E HA -0.163 4.176 4.350 -0.018 0.000 0.190 1103 E C 1.898 178.601 176.600 0.172 0.000 0.985 1103 E CA 1.066 57.535 56.400 0.114 0.000 0.802 1103 E CB -0.095 29.672 29.700 0.111 0.000 0.762 1103 E HN 0.165 nan 8.360 nan 0.000 0.448 1104 I N 0.710 121.387 120.570 0.177 0.000 2.530 1104 I HA -0.242 3.917 4.170 -0.018 0.000 0.257 1104 I C 1.762 177.974 176.117 0.158 0.000 1.179 1104 I CA 1.085 62.510 61.300 0.209 0.000 1.440 1104 I CB 0.089 38.095 38.000 0.010 0.000 1.087 1104 I HN 0.061 nan 8.210 nan 0.000 0.440 1105 L N -0.903 120.387 121.223 0.112 0.000 2.515 1105 L HA 0.117 4.446 4.340 -0.018 0.000 0.223 1105 L C 1.653 178.604 176.870 0.135 0.000 1.079 1105 L CA 0.560 55.457 54.840 0.095 0.000 0.857 1105 L CB -0.401 41.683 42.059 0.042 0.000 1.050 1105 L HN 0.082 nan 8.230 nan 0.000 0.476 1106 N N -0.387 118.396 118.700 0.138 0.000 2.515 1106 N HA 0.029 4.759 4.740 -0.018 0.000 0.185 1106 N C -0.103 175.479 175.510 0.121 0.000 1.109 1106 N CA 0.221 53.353 53.050 0.136 0.000 0.903 1106 N CB 0.259 38.815 38.487 0.116 0.000 0.969 1106 N HN -0.083 nan 8.380 nan 0.000 0.450 1107 V N 0.023 120.030 119.914 0.156 0.000 5.775 1107 V HA -0.243 3.866 4.120 -0.018 0.000 0.276 1107 V C 0.208 176.326 176.094 0.039 0.000 0.650 1107 V CA 0.116 62.493 62.300 0.129 0.000 0.954 1107 V CB -2.488 29.395 31.823 0.100 0.000 1.077 1107 V HN 0.383 nan 8.190 nan 0.000 0.455 1108 A N 5.061 127.900 122.820 0.033 0.000 2.347 1108 A HA 0.620 4.929 4.320 -0.018 0.000 0.287 1108 A C 1.199 178.732 177.584 -0.084 0.000 1.199 1108 A CA -0.203 51.829 52.037 -0.009 0.000 0.851 1108 A CB 0.487 19.506 19.000 0.032 0.000 1.118 1108 A HN 0.645 nan 8.150 nan 0.000 0.525 1109 K N 2.386 122.748 120.400 -0.063 0.000 2.190 1109 K HA 0.021 4.330 4.320 -0.018 0.000 0.202 1109 K C 0.169 176.735 176.600 -0.057 0.000 1.045 1109 K CA 0.644 56.886 56.287 -0.075 0.000 0.976 1109 K CB -0.272 32.193 32.500 -0.059 0.000 0.849 1109 K HN 0.743 nan 8.250 nan 0.000 0.468 1110 N N 2.100 120.779 118.700 -0.035 0.000 2.892 1110 N HA 0.044 4.773 4.740 -0.018 0.000 0.300 1110 N C -0.498 175.000 175.510 -0.019 0.000 1.211 1110 N CA -0.193 52.843 53.050 -0.023 0.000 1.158 1110 N CB -0.161 38.319 38.487 -0.011 0.000 1.455 1110 N HN 0.137 nan 8.380 nan 0.000 0.524 1111 M N 1.871 121.452 119.600 -0.031 0.000 2.184 1111 M HA 0.033 4.502 4.480 -0.018 0.000 0.351 1111 M C 1.141 177.435 176.300 -0.010 0.000 1.395 1111 M CA -0.175 55.110 55.300 -0.025 0.000 1.117 1111 M CB 0.814 33.384 32.600 -0.049 0.000 1.708 1111 M HN 0.135 nan 8.290 nan 0.000 0.468 1112 K N 1.889 122.291 120.400 0.004 0.000 1.977 1112 K HA -0.054 4.255 4.320 -0.018 0.000 0.218 1112 K C -0.007 176.595 176.600 0.003 0.000 1.051 1112 K CA 1.695 57.986 56.287 0.008 0.000 0.953 1112 K CB 0.032 32.543 32.500 0.018 0.000 0.727 1112 K HN 0.720 nan 8.250 nan 0.000 0.445 1113 T N 2.999 117.557 114.554 0.006 0.000 3.042 1113 T HA 0.332 4.671 4.350 -0.018 0.000 0.356 1113 T C -2.680 172.015 174.700 -0.008 0.000 1.233 1113 T CA -1.648 60.453 62.100 0.001 0.000 1.038 1113 T CB 1.281 70.154 68.868 0.008 0.000 1.089 1113 T HN -0.002 nan 8.240 nan 0.000 0.531 1114 P HA 0.488 nan 4.420 nan 0.000 0.287 1114 P C -0.619 176.661 177.300 -0.033 0.000 1.281 1114 P CA -0.386 62.695 63.100 -0.032 0.000 0.781 1114 P CB 1.028 32.705 31.700 -0.038 0.000 0.903 1115 S N 2.970 118.642 115.700 -0.047 0.000 2.575 1115 S HA 0.633 5.093 4.470 -0.018 0.000 0.278 1115 S C -1.560 172.994 174.600 -0.077 0.000 1.139 1115 S CA -0.568 57.603 58.200 -0.047 0.000 0.954 1115 S CB 0.449 63.628 63.200 -0.034 0.000 1.054 1115 S HN 0.275 nan 8.310 nan 0.000 0.483 1116 L N 4.417 125.605 121.223 -0.058 0.000 2.356 1116 L HA 0.702 5.031 4.340 -0.018 0.000 0.277 1116 L C -0.621 176.213 176.870 -0.060 0.000 0.996 1116 L CA 0.141 54.941 54.840 -0.066 0.000 0.822 1116 L CB 1.698 43.733 42.059 -0.039 0.000 1.256 1116 L HN 0.688 nan 8.230 nan 0.000 0.413 1117 T N 4.838 119.341 114.554 -0.085 0.000 2.821 1117 T HA 0.540 4.879 4.350 -0.018 0.000 0.307 1117 T C -0.383 174.216 174.700 -0.169 0.000 1.034 1117 T CA -0.464 61.557 62.100 -0.132 0.000 0.953 1117 T CB 0.841 69.611 68.868 -0.163 0.000 0.968 1117 T HN 0.429 nan 8.240 nan 0.000 0.462 1118 V N 2.121 121.940 119.914 -0.159 0.000 2.481 1118 V HA 0.582 4.691 4.120 -0.018 0.000 0.286 1118 V C -0.862 175.108 176.094 -0.207 0.000 1.042 1118 V CA -1.156 61.083 62.300 -0.102 0.000 0.928 1118 V CB 0.243 32.062 31.823 -0.006 0.000 0.986 1118 V HN 0.734 nan 8.190 nan 0.000 0.462 1119 Y N 3.173 123.509 120.300 0.060 0.000 2.342 1119 Y HA 0.616 5.155 4.550 -0.018 0.000 0.334 1119 Y C 0.309 176.250 175.900 0.069 0.000 1.067 1119 Y CA -0.653 57.480 58.100 0.056 0.000 1.128 1119 Y CB 1.783 40.258 38.460 0.026 0.000 1.200 1119 Y HN 0.543 nan 8.280 nan 0.000 0.464 1120 L N 1.779 123.154 121.223 0.253 0.000 2.468 1120 L HA 0.057 4.387 4.340 -0.018 0.000 0.253 1120 L C 0.424 177.391 176.870 0.162 0.000 1.237 1120 L CA 0.077 55.031 54.840 0.190 0.000 0.823 1120 L CB 0.274 42.454 42.059 0.202 0.000 1.124 1120 L HN 0.595 nan 8.230 nan 0.000 0.504 1121 E N 1.318 121.606 120.200 0.146 0.000 2.415 1121 E HA -0.007 4.332 4.350 -0.018 0.000 0.263 1121 E C -1.718 174.909 176.600 0.045 0.000 0.995 1121 E CA -1.085 55.374 56.400 0.098 0.000 0.915 1121 E CB 0.867 30.648 29.700 0.136 0.000 0.951 1121 E HN 0.290 nan 8.360 nan 0.000 0.449 1122 P HA -0.138 nan 4.420 nan 0.000 0.216 1122 P C 0.933 178.196 177.300 -0.063 0.000 1.150 1122 P CA 1.359 64.447 63.100 -0.022 0.000 0.843 1122 P CB 0.190 31.868 31.700 -0.038 0.000 0.787 1123 G N -1.999 106.700 108.800 -0.169 0.000 2.598 1123 G HA2 -0.116 3.833 3.960 -0.018 0.000 0.215 1123 G HA3 -0.116 3.833 3.960 -0.018 0.000 0.215 1123 G C 0.352 175.022 174.900 -0.382 0.000 1.131 1123 G CA 0.358 45.278 45.100 -0.300 0.000 0.785 1123 G HN 0.353 nan 8.290 nan 0.000 0.539 1124 H N -0.123 118.977 119.070 0.051 0.000 2.423 1124 H HA 0.512 5.057 4.556 -0.018 0.000 0.237 1124 H C 1.082 176.465 175.328 0.092 0.000 1.391 1124 H CA -0.368 55.718 56.048 0.065 0.000 1.453 1124 H CB 0.848 30.646 29.762 0.059 0.000 1.484 1124 H HN 0.146 nan 8.280 nan 0.000 0.505 1125 A N 1.879 124.802 122.820 0.171 0.000 1.929 1125 A HA 0.239 4.548 4.320 -0.018 0.000 0.216 1125 A C 1.546 179.268 177.584 0.231 0.000 1.176 1125 A CA 1.442 53.575 52.037 0.160 0.000 0.628 1125 A CB 0.282 19.342 19.000 0.099 0.000 0.816 1125 A HN 0.568 nan 8.150 nan 0.000 0.444 1126 A N -0.693 122.278 122.820 0.252 0.000 2.869 1126 A HA 0.381 4.690 4.320 -0.018 0.000 0.197 1126 A C -0.432 177.305 177.584 0.256 0.000 0.953 1126 A CA -0.103 52.161 52.037 0.379 0.000 1.218 1126 A CB -0.638 18.607 19.000 0.408 0.000 1.249 1126 A HN 0.210 nan 8.150 nan 0.000 0.512 1127 D N 3.114 123.616 120.400 0.171 0.000 2.426 1127 D HA 0.128 4.757 4.640 -0.018 0.000 0.271 1127 D C 0.653 176.984 176.300 0.052 0.000 1.376 1127 D CA 0.636 54.695 54.000 0.098 0.000 1.149 1127 D CB 0.144 40.974 40.800 0.050 0.000 1.118 1127 D HN 0.458 nan 8.370 nan 0.000 0.529 1128 Q N 3.223 123.064 119.800 0.068 0.000 2.357 1128 Q HA -0.285 4.044 4.340 -0.018 0.000 0.366 1128 Q C -0.560 175.419 176.000 -0.035 0.000 1.256 1128 Q CA 0.631 56.455 55.803 0.034 0.000 1.183 1128 Q CB -1.110 27.641 28.738 0.022 0.000 1.346 1128 Q HN 0.588 nan 8.270 nan 0.000 0.307 1129 E N -0.195 119.951 120.200 -0.089 0.000 2.273 1129 E HA -0.280 4.060 4.350 -0.018 0.000 0.177 1129 E C 0.637 177.154 176.600 -0.139 0.000 1.511 1129 E CA 1.230 57.492 56.400 -0.231 0.000 0.675 1129 E CB -1.277 28.238 29.700 -0.308 0.000 1.094 1129 E HN 0.875 nan 8.360 nan 0.000 0.348 1130 Q N 0.039 119.795 119.800 -0.074 0.000 2.311 1130 Q HA 0.036 4.365 4.340 -0.018 0.000 0.203 1130 Q C 2.042 178.006 176.000 -0.060 0.000 0.954 1130 Q CA 0.978 56.746 55.803 -0.058 0.000 0.885 1130 Q CB 0.112 28.831 28.738 -0.033 0.000 0.963 1130 Q HN 0.503 nan 8.270 nan 0.000 0.471 1131 A N 1.773 124.549 122.820 -0.073 0.000 1.884 1131 A HA -0.284 4.026 4.320 -0.018 0.000 0.219 1131 A C 1.910 179.436 177.584 -0.098 0.000 1.197 1131 A CA 2.026 54.022 52.037 -0.068 0.000 0.637 1131 A CB -0.544 18.385 19.000 -0.119 0.000 0.827 1131 A HN 0.378 nan 8.150 nan 0.000 0.450 1132 K N -0.812 119.495 120.400 -0.156 0.000 2.286 1132 K HA -0.114 4.195 4.320 -0.018 0.000 0.203 1132 K C 1.467 178.006 176.600 -0.101 0.000 1.045 1132 K CA 1.359 57.556 56.287 -0.151 0.000 0.935 1132 K CB -0.358 32.039 32.500 -0.173 0.000 0.737 1132 K HN 0.511 nan 8.250 nan 0.000 0.460 1133 L N -0.369 120.806 121.223 -0.080 0.000 2.477 1133 L HA 0.036 4.365 4.340 -0.018 0.000 0.220 1133 L C 1.728 178.575 176.870 -0.039 0.000 1.106 1133 L CA 0.504 55.308 54.840 -0.059 0.000 0.851 1133 L CB 0.081 42.104 42.059 -0.060 0.000 0.994 1133 L HN 0.062 nan 8.230 nan 0.000 0.462 1134 I N -1.056 119.496 120.570 -0.030 0.000 3.035 1134 I HA -0.049 4.110 4.170 -0.018 0.000 0.271 1134 I C 2.609 178.723 176.117 -0.006 0.000 1.190 1134 I CA 0.351 61.647 61.300 -0.006 0.000 1.472 1134 I CB -0.144 37.866 38.000 0.015 0.000 1.116 1134 I HN 0.113 nan 8.210 nan 0.000 0.443 1135 R N 1.603 122.088 120.500 -0.024 0.000 2.094 1135 R HA -0.203 4.127 4.340 -0.018 0.000 0.239 1135 R C 2.326 178.618 176.300 -0.014 0.000 1.137 1135 R CA 2.304 58.389 56.100 -0.025 0.000 0.943 1135 R CB -0.225 30.029 30.300 -0.077 0.000 0.850 1135 R HN 0.435 nan 8.270 nan 0.000 0.433 1136 S N -0.635 115.048 115.700 -0.028 0.000 2.515 1136 S HA 0.044 4.503 4.470 -0.018 0.000 0.231 1136 S C 1.735 176.329 174.600 -0.010 0.000 0.987 1136 S CA 0.602 58.789 58.200 -0.022 0.000 0.936 1136 S CB 0.363 63.541 63.200 -0.036 0.000 0.766 1136 S HN 0.467 nan 8.310 nan 0.000 0.528 1137 A N 0.778 123.596 122.820 -0.004 0.000 2.195 1137 A HA 0.409 4.718 4.320 -0.018 0.000 0.210 1137 A C 1.819 179.416 177.584 0.021 0.000 1.165 1137 A CA 0.210 52.250 52.037 0.005 0.000 0.806 1137 A CB -0.157 18.846 19.000 0.004 0.000 0.847 1137 A HN 0.496 nan 8.150 nan 0.000 0.482 1138 I N -1.025 119.560 120.570 0.026 0.000 3.366 1138 I HA 0.086 4.245 4.170 -0.018 0.000 0.267 1138 I C 0.845 176.999 176.117 0.062 0.000 1.149 1138 I CA 0.299 61.623 61.300 0.040 0.000 1.436 1138 I CB -1.075 36.947 38.000 0.035 0.000 1.379 1138 I HN 0.323 nan 8.210 nan 0.000 0.460 1139 E N 2.403 122.637 120.200 0.056 0.000 2.463 1139 E HA -0.172 4.167 4.350 -0.018 0.000 0.248 1139 E C -0.098 176.554 176.600 0.085 0.000 1.106 1139 E CA 0.172 56.616 56.400 0.074 0.000 0.946 1139 E CB -0.195 29.541 29.700 0.061 0.000 0.971 1139 E HN 0.174 nan 8.360 nan 0.000 0.478 1140 H N 3.556 122.632 119.070 0.011 0.000 3.157 1140 H HA 0.108 4.653 4.556 -0.018 0.000 0.260 1140 H C -0.918 174.415 175.328 0.007 0.000 1.232 1140 H CA -0.204 55.848 56.048 0.006 0.000 1.488 1140 H CB 0.135 29.900 29.762 0.005 0.000 1.548 1140 H HN 0.245 nan 8.280 nan 0.000 0.487 1141 T N 5.045 119.446 114.554 -0.254 0.000 2.771 1141 T HA 0.250 4.589 4.350 -0.018 0.000 0.291 1141 T C 0.212 174.708 174.700 -0.339 0.000 0.954 1141 T CA -0.653 61.319 62.100 -0.213 0.000 1.045 1141 T CB 0.737 69.541 68.868 -0.108 0.000 0.917 1141 T HN 0.684 nan 8.240 nan 0.000 0.484 1142 T N 1.247 115.659 114.554 -0.237 0.000 2.927 1142 T HA 0.405 4.744 4.350 -0.018 0.000 0.281 1142 T C 0.986 175.641 174.700 -0.076 0.000 0.998 1142 T CA -0.979 61.023 62.100 -0.162 0.000 1.019 1142 T CB 0.941 69.770 68.868 -0.065 0.000 1.061 1142 T HN 0.190 nan 8.240 nan 0.000 0.518 1143 L N 0.529 121.724 121.223 -0.045 0.000 2.622 1143 L HA 0.168 4.497 4.340 -0.018 0.000 0.233 1143 L C 2.250 179.116 176.870 -0.007 0.000 1.156 1143 L CA 1.291 56.120 54.840 -0.018 0.000 0.866 1143 L CB -0.992 41.065 42.059 -0.003 0.000 0.980 1143 L HN 0.742 nan 8.230 nan 0.000 0.448 1144 K N -0.799 119.598 120.400 -0.006 0.000 2.044 1144 K HA -0.086 4.223 4.320 -0.018 0.000 0.204 1144 K C 1.988 178.588 176.600 0.001 0.000 1.049 1144 K CA 1.403 57.692 56.287 0.003 0.000 0.945 1144 K CB 0.111 32.617 32.500 0.010 0.000 0.724 1144 K HN 0.461 nan 8.250 nan 0.000 0.440 1145 S N 0.392 116.089 115.700 -0.005 0.000 2.515 1145 S HA -0.049 4.410 4.470 -0.018 0.000 0.231 1145 S C 1.459 176.056 174.600 -0.005 0.000 0.987 1145 S CA 0.674 58.872 58.200 -0.003 0.000 0.936 1145 S CB -0.073 63.124 63.200 -0.005 0.000 0.766 1145 S HN 0.217 nan 8.310 nan 0.000 0.528 1146 V N -1.905 118.005 119.914 -0.007 0.000 3.121 1146 V HA 0.483 4.592 4.120 -0.018 0.000 0.344 1146 V C -0.254 175.841 176.094 0.002 0.000 1.390 1146 V CA -0.391 61.907 62.300 -0.004 0.000 1.177 1146 V CB -0.517 31.300 31.823 -0.010 0.000 1.163 1146 V HN 0.269 nan 8.190 nan 0.000 0.484 1147 T N 0.937 115.493 114.554 0.004 0.000 2.971 1147 T HA 0.572 4.911 4.350 -0.018 0.000 0.304 1147 T C 0.589 175.294 174.700 0.008 0.000 1.038 1147 T CA -0.351 61.753 62.100 0.007 0.000 1.007 1147 T CB 2.414 71.287 68.868 0.008 0.000 1.055 1147 T HN -0.060 nan 8.240 nan 0.000 0.451 1148 I N 1.242 121.818 120.570 0.008 0.000 2.400 1148 I HA 0.317 4.476 4.170 -0.018 0.000 0.248 1148 I C 1.209 177.334 176.117 0.014 0.000 1.109 1148 I CA 0.790 62.097 61.300 0.010 0.000 1.425 1148 I CB -0.438 37.568 38.000 0.010 0.000 1.094 1148 I HN 0.715 nan 8.210 nan 0.000 0.425 1149 A N -0.159 122.671 122.820 0.015 0.000 2.547 1149 A HA 0.504 4.813 4.320 -0.018 0.000 0.297 1149 A C -0.487 177.109 177.584 0.021 0.000 1.056 1149 A CA -0.361 51.689 52.037 0.022 0.000 0.688 1149 A CB 1.403 20.423 19.000 0.033 0.000 1.282 1149 A HN 0.040 nan 8.150 nan 0.000 0.400 1150 S N 1.871 117.586 115.700 0.025 0.000 2.461 1150 S HA 0.487 4.946 4.470 -0.018 0.000 0.322 1150 S C -0.529 174.102 174.600 0.051 0.000 1.063 1150 S CA -0.335 57.880 58.200 0.025 0.000 1.120 1150 S CB 0.037 63.248 63.200 0.019 0.000 0.968 1150 S HN 0.581 nan 8.310 nan 0.000 0.467 1151 E N 3.960 124.198 120.200 0.063 0.000 2.191 1151 E HA 0.615 4.954 4.350 -0.018 0.000 0.274 1151 E C -0.803 175.952 176.600 0.259 0.000 0.948 1151 E CA -0.746 55.761 56.400 0.180 0.000 0.802 1151 E CB 1.566 31.408 29.700 0.238 0.000 1.137 1151 E HN 0.615 nan 8.360 nan 0.000 0.397 1152 I N 0.657 121.451 120.570 0.373 0.000 3.279 1152 I HA 0.543 4.702 4.170 -0.018 0.000 0.315 1152 I C -1.265 175.034 176.117 0.303 0.000 1.187 1152 I CA -0.831 60.732 61.300 0.437 0.000 0.953 1152 I CB 1.443 39.570 38.000 0.210 0.000 1.279 1152 I HN 0.494 nan 8.210 nan 0.000 0.465 1153 Y N 0.839 121.250 120.300 0.184 0.000 2.241 1153 Y HA 0.059 4.598 4.550 -0.018 0.000 0.329 1153 Y C -1.447 174.696 175.900 0.405 0.000 1.439 1153 Y CA -0.493 57.742 58.100 0.224 0.000 1.720 1153 Y CB -0.087 38.452 38.460 0.132 0.000 1.226 1153 Y HN 0.630 nan 8.280 nan 0.000 0.469 1154 Y N 3.136 123.632 120.300 0.327 0.000 2.534 1154 Y HA 0.571 5.111 4.550 -0.018 0.000 0.338 1154 Y C -0.407 175.509 175.900 0.027 0.000 1.279 1154 Y CA -0.123 58.076 58.100 0.165 0.000 1.436 1154 Y CB 1.159 39.654 38.460 0.059 0.000 1.573 1154 Y HN 0.611 nan 8.280 nan 0.000 0.567 1155 D N 2.273 122.048 120.400 -1.042 0.000 2.896 1155 D HA 0.335 4.964 4.640 -0.018 0.000 0.241 1155 D C -3.221 172.717 176.300 -0.603 0.000 1.188 1155 D CA -1.811 51.763 54.000 -0.709 0.000 0.879 1155 D CB 3.052 43.424 40.800 -0.713 0.000 1.553 1155 D HN 0.225 nan 8.370 nan 0.000 0.515 1156 P HA 0.474 nan 4.420 nan 0.000 0.309 1156 P C -1.126 176.061 177.300 -0.188 0.000 1.302 1156 P CA -0.382 62.602 63.100 -0.194 0.000 0.835 1156 P CB 1.325 32.969 31.700 -0.093 0.000 1.324 1157 D N -1.760 118.552 120.400 -0.148 0.000 3.078 1157 D HA -0.019 4.610 4.640 -0.018 0.000 0.195 1157 D C -2.634 173.597 176.300 -0.116 0.000 1.001 1157 D CA -0.146 53.767 54.000 -0.144 0.000 0.933 1157 D CB -1.711 38.977 40.800 -0.188 0.000 0.850 1157 D HN 0.171 nan 8.370 nan 0.000 0.413 1158 P HA 0.372 nan 4.420 nan 0.000 0.253 1158 P C -0.837 176.424 177.300 -0.066 0.000 1.667 1158 P CA -0.623 62.431 63.100 -0.076 0.000 1.118 1158 P CB 0.558 32.224 31.700 -0.056 0.000 1.595 1159 R N 1.822 122.276 120.500 -0.077 0.000 3.433 1159 R HA -0.157 4.172 4.340 -0.018 0.000 0.145 1159 R C -0.153 176.111 176.300 -0.061 0.000 0.770 1159 R CA 0.591 56.645 56.100 -0.075 0.000 0.815 1159 R CB -1.982 28.254 30.300 -0.107 0.000 1.090 1159 R HN 0.468 nan 8.270 nan 0.000 0.291 1160 S N 1.438 117.110 115.700 -0.047 0.000 4.357 1160 S HA -0.169 4.290 4.470 -0.018 0.000 0.524 1160 S C 1.119 175.682 174.600 -0.062 0.000 1.014 1160 S CA 0.385 58.556 58.200 -0.048 0.000 1.149 1160 S CB -0.363 62.819 63.200 -0.030 0.000 0.837 1160 S HN 0.845 nan 8.310 nan 0.000 0.497 1161 T N 0.728 115.231 114.554 -0.085 0.000 3.052 1161 T HA -0.040 4.299 4.350 -0.018 0.000 0.270 1161 T C 1.146 175.803 174.700 -0.072 0.000 1.147 1161 T CA 0.562 62.599 62.100 -0.105 0.000 1.089 1161 T CB -0.547 68.230 68.868 -0.152 0.000 0.875 1161 T HN 0.732 nan 8.240 nan 0.000 0.541 1162 V N 2.521 122.407 119.914 -0.046 0.000 3.681 1162 V HA 0.329 4.438 4.120 -0.018 0.000 0.298 1162 V C 0.407 176.504 176.094 0.006 0.000 1.097 1162 V CA -0.688 61.603 62.300 -0.016 0.000 1.125 1162 V CB -0.169 31.649 31.823 -0.009 0.000 1.140 1162 V HN 0.772 nan 8.190 nan 0.000 0.476 1163 I N -2.331 118.261 120.570 0.036 0.000 8.785 1163 I HA -0.096 4.063 4.170 -0.018 0.000 0.126 1163 I C -2.846 173.303 176.117 0.054 0.000 1.862 1163 I CA -0.806 60.539 61.300 0.074 0.000 2.038 1163 I CB -1.787 36.280 38.000 0.111 0.000 3.895 1163 I HN 0.488 nan 8.210 nan 0.000 0.169 1164 P HA 0.170 nan 4.420 nan 0.000 0.279 1164 P C -0.693 176.620 177.300 0.021 0.000 1.282 1164 P CA -0.052 63.077 63.100 0.050 0.000 0.788 1164 P CB 0.353 32.096 31.700 0.073 0.000 1.139 1165 E N -0.928 119.281 120.200 0.014 0.000 0.826 1165 E HA -0.274 4.065 4.350 -0.018 0.000 0.235 1165 E C -0.426 176.163 176.600 -0.019 0.000 0.504 1165 E CA 0.853 57.252 56.400 -0.001 0.000 0.724 1165 E CB -1.360 28.342 29.700 0.003 0.000 0.943 1165 E HN 0.286 nan 8.360 nan 0.000 0.270 1166 D N 1.904 122.286 120.400 -0.029 0.000 2.628 1166 D HA -0.077 4.553 4.640 -0.018 0.000 0.258 1166 D C 1.333 177.595 176.300 -0.065 0.000 1.165 1166 D CA 0.770 54.738 54.000 -0.054 0.000 0.991 1166 D CB 0.361 41.126 40.800 -0.059 0.000 1.104 1166 D HN 0.400 nan 8.370 nan 0.000 0.438 1167 E N 0.866 121.030 120.200 -0.060 0.000 1.994 1167 E HA -0.116 4.224 4.350 -0.018 0.000 0.197 1167 E C 1.771 178.337 176.600 -0.057 0.000 0.982 1167 E CA 1.000 57.356 56.400 -0.072 0.000 0.855 1167 E CB -0.585 29.080 29.700 -0.059 0.000 0.806 1167 E HN 0.517 nan 8.360 nan 0.000 0.495 1168 E N 0.388 120.569 120.200 -0.031 0.000 2.476 1168 E HA 0.033 4.373 4.350 -0.018 0.000 0.199 1168 E C 1.857 178.451 176.600 -0.011 0.000 1.021 1168 E CA -0.051 56.335 56.400 -0.023 0.000 0.907 1168 E CB -0.065 29.629 29.700 -0.010 0.000 0.974 1168 E HN 0.124 nan 8.360 nan 0.000 0.489 1169 I N 1.020 121.586 120.570 -0.007 0.000 3.291 1169 I HA 0.082 4.241 4.170 -0.018 0.000 0.279 1169 I C 0.200 176.321 176.117 0.007 0.000 1.294 1169 I CA 0.113 61.420 61.300 0.012 0.000 1.428 1169 I CB 0.141 38.155 38.000 0.024 0.000 1.070 1169 I HN -0.086 nan 8.210 nan 0.000 0.478 1170 I N 0.063 120.614 120.570 -0.032 0.000 2.392 1170 I HA 0.203 4.362 4.170 -0.018 0.000 0.295 1170 I C 1.247 177.324 176.117 -0.067 0.000 0.985 1170 I CA 0.069 61.332 61.300 -0.062 0.000 1.221 1170 I CB 1.734 39.645 38.000 -0.149 0.000 1.366 1170 I HN 0.142 nan 8.210 nan 0.000 0.467 1171 Q N 5.374 125.142 119.800 -0.053 0.000 1.946 1171 Q HA -0.035 4.294 4.340 -0.018 0.000 0.199 1171 Q C 1.072 177.121 176.000 0.080 0.000 0.979 1171 Q CA 1.416 57.219 55.803 0.000 0.000 0.834 1171 Q CB -0.387 28.359 28.738 0.013 0.000 0.899 1171 Q HN 0.673 nan 8.270 nan 0.000 0.431 1172 L N 0.703 121.987 121.223 0.100 0.000 4.983 1172 L HA -0.253 4.076 4.340 -0.018 0.000 0.594 1172 L C 0.551 177.518 176.870 0.163 0.000 0.830 1172 L CA 0.671 55.629 54.840 0.196 0.000 0.829 1172 L CB -1.741 40.443 42.059 0.209 0.000 1.912 1172 L HN 0.376 nan 8.230 nan 0.000 0.845 1173 H N 1.605 120.677 119.070 0.002 0.000 2.768 1173 H HA 0.142 4.687 4.556 -0.018 0.000 0.228 1173 H C 0.660 175.920 175.328 -0.113 0.000 1.812 1173 H CA -0.675 55.308 56.048 -0.109 0.000 1.273 1173 H CB -0.314 29.453 29.762 0.008 0.000 1.631 1173 H HN 0.669 nan 8.280 nan 0.000 0.526 1174 F N 0.568 120.427 119.950 -0.152 0.000 2.763 1174 F HA 0.239 4.755 4.527 -0.018 0.000 0.309 1174 F C -0.010 175.655 175.800 -0.226 0.000 1.267 1174 F CA -0.659 57.250 58.000 -0.152 0.000 1.417 1174 F CB -0.388 38.572 39.000 -0.067 0.000 1.223 1174 F HN 0.016 nan 8.300 nan 0.000 0.539 1175 S N 2.398 117.761 115.700 -0.562 0.000 3.489 1175 S HA 0.519 4.978 4.470 -0.018 0.000 0.227 1175 S C -0.395 174.072 174.600 -0.222 0.000 1.360 1175 S CA -0.522 57.462 58.200 -0.361 0.000 0.934 1175 S CB 0.136 63.101 63.200 -0.392 0.000 1.410 1175 S HN 0.501 nan 8.310 nan 0.000 0.483 1188 Q N 0.517 120.308 119.800 -0.016 0.000 2.414 1188 Q HA 0.298 4.627 4.340 -0.018 0.000 0.288 1188 Q C -0.396 175.573 176.000 -0.050 0.000 1.086 1188 Q CA 0.724 56.503 55.803 -0.041 0.000 0.943 1188 Q CB 0.961 29.663 28.738 -0.059 0.000 1.282 1188 Q HN 0.002 nan 8.270 nan 0.000 0.438 1189 S N 1.210 116.864 115.700 -0.077 0.000 2.543 1189 S HA 0.400 4.859 4.470 -0.018 0.000 0.273 1189 S C -2.669 171.834 174.600 -0.162 0.000 1.152 1189 S CA -0.980 57.169 58.200 -0.084 0.000 0.910 1189 S CB 1.976 65.162 63.200 -0.023 0.000 1.105 1189 S HN 0.407 nan 8.310 nan 0.000 0.465 1190 P HA 0.112 nan 4.420 nan 0.000 0.268 1190 P C -0.533 176.601 177.300 -0.277 0.000 1.204 1190 P CA 0.202 62.945 63.100 -0.594 0.000 0.768 1190 P CB 0.040 31.215 31.700 -0.875 0.000 0.842 1191 W N 1.243 122.446 121.300 -0.162 0.000 3.078 1191 W HA -0.169 4.480 4.660 -0.018 0.000 0.451 1191 W C -0.313 176.177 176.519 -0.048 0.000 1.852 1191 W CA -0.201 57.112 57.345 -0.054 0.000 0.459 1191 W CB -1.410 28.071 29.460 0.035 0.000 2.859 1191 W HN 0.511 nan 8.180 nan 0.000 0.416 1192 L N 3.117 124.435 121.223 0.158 0.000 4.145 1192 L HA -0.005 4.324 4.340 -0.018 0.000 0.475 1192 L C -1.205 175.762 176.870 0.162 0.000 1.010 1192 L CA -0.252 54.688 54.840 0.167 0.000 1.038 1192 L CB -0.945 41.295 42.059 0.303 0.000 1.881 1192 L HN 0.797 nan 8.230 nan 0.000 0.989 1193 L N 5.038 126.305 121.223 0.072 0.000 2.902 1193 L HA 0.396 4.725 4.340 -0.018 0.000 0.261 1193 L C 0.201 177.057 176.870 -0.022 0.000 0.928 1193 L CA -0.053 54.814 54.840 0.044 0.000 1.024 1193 L CB 1.194 43.280 42.059 0.044 0.000 1.629 1193 L HN 0.734 nan 8.230 nan 0.000 0.478 1194 R N 2.756 123.223 120.500 -0.054 0.000 2.015 1194 R HA 0.637 4.966 4.340 -0.018 0.000 0.212 1194 R C -0.510 175.750 176.300 -0.066 0.000 1.304 1194 R CA 0.531 56.558 56.100 -0.121 0.000 1.040 1194 R CB 0.120 30.262 30.300 -0.263 0.000 0.915 1194 R HN 0.684 nan 8.270 nan 0.000 0.465 1195 L N 0.586 121.786 121.223 -0.038 0.000 0.586 1195 L HA -0.198 4.131 4.340 -0.018 0.000 0.356 1195 L C -0.585 176.273 176.870 -0.020 0.000 1.005 1195 L CA 0.886 55.718 54.840 -0.015 0.000 1.223 1195 L CB -0.469 41.590 42.059 0.000 0.000 0.023 1195 L HN 0.394 nan 8.230 nan 0.000 0.092 1196 E N 1.104 121.301 120.200 -0.005 0.000 2.393 1196 E HA 0.901 5.240 4.350 -0.018 0.000 0.273 1196 E C -1.665 174.937 176.600 0.005 0.000 0.918 1196 E CA -0.949 55.449 56.400 -0.004 0.000 0.773 1196 E CB 2.232 31.931 29.700 -0.001 0.000 1.275 1196 E HN 0.453 nan 8.360 nan 0.000 0.451 1197 L N 0.496 121.723 121.223 0.006 0.000 2.493 1197 L HA 0.450 4.779 4.340 -0.018 0.000 0.265 1197 L C -0.891 175.983 176.870 0.007 0.000 0.954 1197 L CA -1.029 53.816 54.840 0.008 0.000 0.844 1197 L CB 1.696 43.763 42.059 0.012 0.000 1.302 1197 L HN 0.436 nan 8.230 nan 0.000 0.405 1198 D N 2.487 122.890 120.400 0.005 0.000 3.441 1198 D HA -0.196 4.433 4.640 -0.018 0.000 0.205 1198 D C 0.540 176.842 176.300 0.004 0.000 1.131 1198 D CA 1.009 55.011 54.000 0.004 0.000 1.030 1198 D CB 0.467 41.269 40.800 0.004 0.000 0.783 1198 D HN 0.787 nan 8.370 nan 0.000 0.389 1199 R N 2.236 122.737 120.500 0.003 0.000 2.978 1199 R HA 0.543 4.873 4.340 -0.018 0.000 0.298 1199 R C -0.251 176.048 176.300 -0.002 0.000 1.296 1199 R CA -0.156 55.945 56.100 0.002 0.000 1.181 1199 R CB 0.251 30.553 30.300 0.003 0.000 1.348 1199 R HN 0.259 nan 8.270 nan 0.000 0.585 1200 A N 0.219 123.038 122.820 -0.003 0.000 2.330 1200 A HA 0.521 4.830 4.320 -0.018 0.000 0.303 1200 A C 0.309 177.891 177.584 -0.002 0.000 1.150 1200 A CA -0.183 51.852 52.037 -0.004 0.000 0.921 1200 A CB 0.078 19.075 19.000 -0.005 0.000 1.462 1200 A HN 0.670 nan 8.150 nan 0.000 0.388 1201 A N 1.790 124.608 122.820 -0.003 0.000 5.135 1201 A HA -0.236 4.073 4.320 -0.018 0.000 0.292 1201 A C 1.471 179.049 177.584 -0.010 0.000 2.079 1201 A CA 1.734 53.767 52.037 -0.007 0.000 0.716 1201 A CB -1.702 17.296 19.000 -0.003 0.000 1.208 1201 A HN 1.694 nan 8.150 nan 0.000 0.351 1202 M N 0.124 119.718 119.600 -0.010 0.000 2.492 1202 M HA 0.058 4.527 4.480 -0.018 0.000 0.262 1202 M C 1.383 177.672 176.300 -0.018 0.000 1.090 1202 M CA 2.075 57.366 55.300 -0.015 0.000 1.110 1202 M CB -1.707 30.885 32.600 -0.012 0.000 1.407 1202 M HN 0.648 nan 8.290 nan 0.000 0.470 1203 N N 0.385 119.076 118.700 -0.014 0.000 2.415 1203 N HA -0.052 4.677 4.740 -0.018 0.000 0.174 1203 N C 1.419 176.919 175.510 -0.017 0.000 1.048 1203 N CA 0.481 53.521 53.050 -0.016 0.000 0.895 1203 N CB 0.548 39.028 38.487 -0.012 0.000 1.036 1203 N HN 0.229 nan 8.380 nan 0.000 0.449 1204 D N 0.182 120.576 120.400 -0.011 0.000 2.355 1204 D HA 0.076 4.705 4.640 -0.018 0.000 0.233 1204 D C -0.252 176.045 176.300 -0.006 0.000 0.997 1204 D CA 0.764 54.761 54.000 -0.005 0.000 0.920 1204 D CB 0.359 41.162 40.800 0.006 0.000 1.063 1204 D HN 0.021 nan 8.370 nan 0.000 0.465 1205 K N 2.033 122.431 120.400 -0.004 0.000 2.206 1205 K HA 0.157 4.466 4.320 -0.018 0.000 0.268 1205 K C -1.080 175.508 176.600 -0.021 0.000 1.111 1205 K CA -0.285 55.999 56.287 -0.005 0.000 0.955 1205 K CB 0.577 33.079 32.500 0.003 0.000 1.406 1205 K HN 0.055 nan 8.250 nan 0.000 0.427 1206 D N 2.755 123.135 120.400 -0.032 0.000 6.826 1206 D HA -0.178 4.451 4.640 -0.018 0.000 0.196 1206 D C -0.709 175.569 176.300 -0.038 0.000 1.416 1206 D CA 1.160 55.136 54.000 -0.040 0.000 0.858 1206 D CB -0.117 40.653 40.800 -0.050 0.000 1.523 1206 D HN 0.285 nan 8.370 nan 0.000 0.885 1207 L N 1.124 122.326 121.223 -0.036 0.000 2.518 1207 L HA 0.544 4.873 4.340 -0.018 0.000 0.257 1207 L C -0.086 176.762 176.870 -0.036 0.000 0.980 1207 L CA -0.733 54.084 54.840 -0.037 0.000 0.837 1207 L CB 2.330 44.370 42.059 -0.033 0.000 1.410 1207 L HN 0.303 nan 8.230 nan 0.000 0.410 1208 T N -1.853 112.675 114.554 -0.042 0.000 2.908 1208 T HA 0.375 4.714 4.350 -0.018 0.000 0.290 1208 T C 0.847 175.521 174.700 -0.043 0.000 1.034 1208 T CA -0.839 61.235 62.100 -0.042 0.000 1.010 1208 T CB 1.765 70.602 68.868 -0.052 0.000 1.068 1208 T HN 0.453 nan 8.240 nan 0.000 0.481 1209 M N 1.456 121.038 119.600 -0.031 0.000 2.065 1209 M HA 0.001 4.470 4.480 -0.018 0.000 0.259 1209 M C 2.555 178.828 176.300 -0.045 0.000 1.069 1209 M CA 2.424 57.717 55.300 -0.012 0.000 1.110 1209 M CB -1.586 31.021 32.600 0.012 0.000 1.328 1209 M HN 1.020 nan 8.290 nan 0.000 0.405 1210 G N -0.916 107.824 108.800 -0.101 0.000 2.440 1210 G HA2 -0.272 3.678 3.960 -0.018 0.000 0.218 1210 G HA3 -0.272 3.678 3.960 -0.018 0.000 0.218 1210 G C 1.444 176.172 174.900 -0.286 0.000 1.154 1210 G CA 0.760 45.718 45.100 -0.237 0.000 0.767 1210 G HN 0.558 nan 8.290 nan 0.000 0.552 1211 Q N -0.380 119.314 119.800 -0.177 0.000 2.172 1211 Q HA -0.004 4.325 4.340 -0.018 0.000 0.200 1211 Q C 2.745 178.672 176.000 -0.122 0.000 0.964 1211 Q CA 0.705 56.415 55.803 -0.155 0.000 0.855 1211 Q CB -0.057 28.618 28.738 -0.106 0.000 0.918 1211 Q HN 0.358 nan 8.270 nan 0.000 0.444 1212 V N -0.086 119.781 119.914 -0.079 0.000 2.343 1212 V HA -0.190 3.919 4.120 -0.018 0.000 0.247 1212 V C 1.771 177.869 176.094 0.007 0.000 1.051 1212 V CA 1.883 64.167 62.300 -0.026 0.000 1.036 1212 V CB -0.550 31.276 31.823 0.005 0.000 0.654 1212 V HN 0.509 nan 8.190 nan 0.000 0.451 1213 G N -1.100 107.707 108.800 0.012 0.000 3.424 1213 G HA2 0.087 4.036 3.960 -0.018 0.000 0.263 1213 G HA3 0.087 4.036 3.960 -0.018 0.000 0.263 1213 G C 0.957 175.775 174.900 -0.136 0.000 1.310 1213 G CA -0.114 45.077 45.100 0.151 0.000 1.089 1213 G HN 0.377 nan 8.290 nan 0.000 0.534 1214 E N 0.380 120.486 120.200 -0.157 0.000 2.098 1214 E HA 0.110 4.450 4.350 -0.018 0.000 0.196 1214 E C 2.068 178.628 176.600 -0.067 0.000 0.955 1214 E CA -0.176 56.111 56.400 -0.189 0.000 0.936 1214 E CB -0.300 29.281 29.700 -0.199 0.000 1.054 1214 E HN 0.199 nan 8.360 nan 0.000 0.482 1215 R N 1.196 121.666 120.500 -0.049 0.000 2.341 1215 R HA -0.008 4.321 4.340 -0.018 0.000 0.213 1215 R C 2.155 178.462 176.300 0.012 0.000 1.082 1215 R CA 0.191 56.277 56.100 -0.023 0.000 1.017 1215 R CB -0.359 29.925 30.300 -0.027 0.000 0.860 1215 R HN 0.202 nan 8.270 nan 0.000 0.473 1216 I N 0.380 120.972 120.570 0.037 0.000 2.127 1216 I HA -0.337 3.822 4.170 -0.018 0.000 0.241 1216 I C 2.320 178.490 176.117 0.088 0.000 1.075 1216 I CA 1.509 62.854 61.300 0.075 0.000 1.334 1216 I CB -0.334 37.733 38.000 0.113 0.000 1.040 1216 I HN 0.127 nan 8.210 nan 0.000 0.405 1217 K N 0.367 120.819 120.400 0.087 0.000 2.001 1217 K HA -0.257 4.052 4.320 -0.018 0.000 0.214 1217 K C 2.246 178.883 176.600 0.061 0.000 1.050 1217 K CA 1.502 57.836 56.287 0.079 0.000 0.934 1217 K CB -0.287 32.248 32.500 0.058 0.000 0.718 1217 K HN 0.266 nan 8.250 nan 0.000 0.443 1218 Q N 0.345 120.159 119.800 0.024 0.000 2.268 1218 Q HA -0.169 4.160 4.340 -0.018 0.000 0.210 1218 Q C 1.612 177.605 176.000 -0.010 0.000 0.988 1218 Q CA 1.897 57.700 55.803 -0.001 0.000 0.883 1218 Q CB -0.194 28.533 28.738 -0.018 0.000 0.911 1218 Q HN 0.408 nan 8.270 nan 0.000 0.430 1219 T N -1.436 113.129 114.554 0.018 0.000 3.035 1219 T HA -0.003 4.336 4.350 -0.018 0.000 0.268 1219 T C 1.005 175.672 174.700 -0.054 0.000 1.109 1219 T CA 0.842 62.937 62.100 -0.009 0.000 1.119 1219 T CB -0.004 68.896 68.868 0.054 0.000 0.900 1219 T HN 0.231 nan 8.240 nan 0.000 0.503 1220 F N -0.624 119.333 119.950 0.010 0.000 1.806 1220 F HA 0.323 4.839 4.527 -0.018 0.000 0.245 1220 F C 0.701 176.505 175.800 0.007 0.000 1.158 1220 F CA -0.552 57.455 58.000 0.011 0.000 1.289 1220 F CB 0.653 39.663 39.000 0.016 0.000 1.718 1220 F HN -0.355 nan 8.300 nan 0.000 0.480 1221 K N 1.494 122.030 120.400 0.227 0.000 3.130 1221 K HA -0.274 4.035 4.320 -0.018 0.000 0.282 1221 K C -0.398 176.262 176.600 0.100 0.000 1.145 1221 K CA 1.321 57.675 56.287 0.112 0.000 0.831 1221 K CB -1.800 30.735 32.500 0.058 0.000 1.226 1221 K HN 0.772 nan 8.250 nan 0.000 0.478 1222 N N -0.769 118.016 118.700 0.142 0.000 2.143 1222 N HA 0.050 4.779 4.740 -0.018 0.000 0.222 1222 N C -0.798 174.743 175.510 0.052 0.000 1.264 1222 N CA 0.073 53.181 53.050 0.097 0.000 0.897 1222 N CB 0.613 39.175 38.487 0.126 0.000 1.092 1222 N HN 0.179 nan 8.380 nan 0.000 0.516 1223 D N 0.065 120.482 120.400 0.028 0.000 3.118 1223 D HA 0.323 4.952 4.640 -0.018 0.000 0.259 1223 D C -1.066 175.227 176.300 -0.013 0.000 1.292 1223 D CA -0.189 53.799 54.000 -0.020 0.000 0.784 1223 D CB 0.036 40.775 40.800 -0.101 0.000 1.413 1223 D HN 0.146 nan 8.370 nan 0.000 0.583 1224 L N 0.583 121.823 121.223 0.028 0.000 3.657 1224 L HA 0.366 4.695 4.340 -0.018 0.000 0.264 1224 L C -1.866 175.031 176.870 0.045 0.000 0.988 1224 L CA -0.496 54.370 54.840 0.043 0.000 1.245 1224 L CB 1.003 43.085 42.059 0.039 0.000 1.965 1224 L HN 0.221 nan 8.230 nan 0.000 0.626 1225 F N 4.572 124.490 119.950 -0.055 0.000 2.382 1225 F HA 0.753 5.269 4.527 -0.018 0.000 0.331 1225 F C -0.112 175.578 175.800 -0.183 0.000 1.121 1225 F CA -0.008 57.930 58.000 -0.103 0.000 1.183 1225 F CB 1.246 40.170 39.000 -0.126 0.000 1.207 1225 F HN 0.138 nan 8.300 nan 0.000 0.555 1226 V N 6.669 126.508 119.914 -0.125 0.000 2.509 1226 V HA 0.274 4.383 4.120 -0.018 0.000 0.289 1226 V C -0.103 175.153 176.094 -1.396 0.000 1.026 1226 V CA -0.905 61.077 62.300 -0.531 0.000 0.872 1226 V CB 0.794 32.461 31.823 -0.261 0.000 1.017 1226 V HN 0.478 nan 8.190 nan 0.000 0.436 1227 I N 1.393 121.373 120.570 -0.984 0.000 3.110 1227 I HA 0.519 4.678 4.170 -0.018 0.000 0.314 1227 I C 0.539 175.995 176.117 -1.103 0.000 1.020 1227 I CA -0.164 60.430 61.300 -1.177 0.000 1.169 1227 I CB 0.726 38.433 38.000 -0.489 0.000 1.437 1227 I HN 0.828 nan 8.210 nan 0.000 0.595 1228 W N 0.373 121.673 121.300 0.001 0.000 3.826 1228 W HA 0.253 4.902 4.660 -0.018 0.000 0.176 1228 W C 0.676 177.188 176.519 -0.013 0.000 1.041 1228 W CA 0.529 57.867 57.345 -0.011 0.000 1.499 1228 W CB -0.625 28.824 29.460 -0.017 0.000 0.617 1228 W HN 0.851 nan 8.180 nan 0.000 0.918 1229 S N 1.234 117.034 115.700 0.166 0.000 3.860 1229 S HA -0.182 4.277 4.470 -0.018 0.000 0.712 1229 S C -0.597 174.068 174.600 0.108 0.000 1.287 1229 S CA 0.102 58.355 58.200 0.088 0.000 1.330 1229 S CB -0.808 62.415 63.200 0.038 0.000 0.442 1229 S HN 0.227 nan 8.310 nan 0.000 0.798 1230 E N 2.647 122.886 120.200 0.065 0.000 2.267 1230 E HA 0.382 4.721 4.350 -0.018 0.000 0.241 1230 E C 0.126 176.747 176.600 0.036 0.000 0.950 1230 E CA 0.181 56.613 56.400 0.054 0.000 0.776 1230 E CB 0.197 29.923 29.700 0.044 0.000 1.207 1230 E HN 0.588 nan 8.360 nan 0.000 0.436 1237 I N -0.725 119.855 120.570 0.016 0.000 2.352 1237 I HA 0.480 4.639 4.170 -0.018 0.000 0.315 1237 I C -1.917 174.206 176.117 0.011 0.000 2.337 1237 I CA -0.467 60.833 61.300 -0.000 0.000 0.932 1237 I CB 1.436 39.421 38.000 -0.025 0.000 1.697 1237 I HN -0.137 nan 8.210 nan 0.000 0.685 1238 I N 3.175 123.739 120.570 -0.009 0.000 2.769 1238 I HA 0.614 4.773 4.170 -0.018 0.000 0.298 1238 I C -0.587 175.490 176.117 -0.066 0.000 1.128 1238 I CA -0.617 60.677 61.300 -0.011 0.000 1.031 1238 I CB 1.964 39.985 38.000 0.034 0.000 1.235 1238 I HN 0.571 nan 8.210 nan 0.000 0.423 1239 R N 3.423 123.862 120.500 -0.103 0.000 2.668 1239 R HA 0.770 5.099 4.340 -0.018 0.000 0.272 1239 R C -2.004 174.221 176.300 -0.124 0.000 1.019 1239 R CA -0.289 55.734 56.100 -0.128 0.000 0.894 1239 R CB 2.253 32.458 30.300 -0.159 0.000 1.228 1239 R HN 0.800 nan 8.270 nan 0.000 0.460 1240 C N 2.682 121.931 119.300 -0.085 0.000 2.716 1240 C HA 0.507 4.956 4.460 -0.018 0.000 0.366 1240 C C -0.239 174.738 174.990 -0.022 0.000 1.073 1240 C CA -1.107 57.883 59.018 -0.046 0.000 1.260 1240 C CB 1.381 29.114 27.740 -0.012 0.000 1.755 1240 C HN 0.883 nan 8.230 nan 0.000 0.475 1241 R N 0.989 121.485 120.500 -0.007 0.000 2.553 1241 R HA 0.830 5.159 4.340 -0.018 0.000 0.263 1241 R C -0.203 176.112 176.300 0.026 0.000 1.066 1241 R CA -0.383 55.715 56.100 -0.004 0.000 1.135 1241 R CB 1.434 31.707 30.300 -0.044 0.000 1.148 1241 R HN 0.739 nan 8.270 nan 0.000 0.558 1242 V N -0.262 119.664 119.914 0.020 0.000 2.914 1242 V HA 0.658 4.767 4.120 -0.018 0.000 0.314 1242 V C -0.684 175.414 176.094 0.007 0.000 1.084 1242 V CA -0.656 61.655 62.300 0.018 0.000 0.963 1242 V CB 2.183 34.022 31.823 0.027 0.000 1.025 1242 V HN 0.441 nan 8.190 nan 0.000 0.432 1255 E N 0.227 120.488 120.200 0.101 0.000 2.414 1255 E HA -0.211 4.128 4.350 -0.018 0.000 0.173 1255 E C 0.444 177.096 176.600 0.086 0.000 1.551 1255 E CA 0.979 57.427 56.400 0.079 0.000 0.661 1255 E CB -0.674 29.036 29.700 0.017 0.000 1.108 1255 E HN 0.819 nan 8.360 nan 0.000 0.365 1256 E N 0.428 120.720 120.200 0.153 0.000 2.478 1256 E HA -0.096 4.243 4.350 -0.018 0.000 0.194 1256 E C 0.576 177.135 176.600 -0.069 0.000 1.045 1256 E CA 0.634 57.123 56.400 0.149 0.000 0.868 1256 E CB 0.259 30.177 29.700 0.363 0.000 0.885 1256 E HN 0.403 nan 8.360 nan 0.000 0.505 1257 D N -0.931 119.249 120.400 -0.368 0.000 2.264 1257 D HA -0.146 4.483 4.640 -0.018 0.000 0.208 1257 D C 1.370 177.535 176.300 -0.226 0.000 0.966 1257 D CA 0.998 54.665 54.000 -0.556 0.000 0.864 1257 D CB 0.002 40.431 40.800 -0.619 0.000 0.933 1257 D HN 0.221 nan 8.370 nan 0.000 0.499 1258 H N -1.291 117.678 119.070 -0.169 0.000 2.582 1258 H HA 0.306 4.851 4.556 -0.018 0.000 0.269 1258 H C 1.503 176.796 175.328 -0.059 0.000 0.962 1258 H CA 0.341 56.331 56.048 -0.096 0.000 1.230 1258 H CB 0.334 30.055 29.762 -0.067 0.000 1.445 1258 H HN -0.065 nan 8.280 nan 0.000 0.528 1259 M N -0.405 119.225 119.600 0.050 0.000 2.558 1259 M HA 0.044 4.513 4.480 -0.018 0.000 0.255 1259 M C 1.381 177.673 176.300 -0.014 0.000 1.113 1259 M CA 0.457 55.773 55.300 0.028 0.000 1.097 1259 M CB 0.219 32.846 32.600 0.046 0.000 1.426 1259 M HN 0.322 nan 8.290 nan 0.000 0.488 1260 L N -0.350 120.845 121.223 -0.046 0.000 2.068 1260 L HA -0.058 4.271 4.340 -0.018 0.000 0.204 1260 L C 2.003 178.835 176.870 -0.064 0.000 1.076 1260 L CA 1.811 56.623 54.840 -0.047 0.000 0.753 1260 L CB -0.449 41.564 42.059 -0.077 0.000 0.910 1260 L HN 0.117 nan 8.230 nan 0.000 0.439 1261 K N -0.346 119.985 120.400 -0.115 0.000 2.063 1261 K HA -0.185 4.124 4.320 -0.018 0.000 0.208 1261 K C 1.306 177.861 176.600 -0.075 0.000 1.048 1261 K CA 1.275 57.494 56.287 -0.114 0.000 0.928 1261 K CB -0.095 32.293 32.500 -0.187 0.000 0.713 1261 K HN -0.012 nan 8.250 nan 0.000 0.442 1262 K N 0.972 121.330 120.400 -0.070 0.000 2.878 1262 K HA 0.054 4.363 4.320 -0.018 0.000 0.242 1262 K C 0.788 177.386 176.600 -0.002 0.000 0.985 1262 K CA 0.368 56.638 56.287 -0.029 0.000 1.168 1262 K CB -0.108 32.383 32.500 -0.014 0.000 0.993 1262 K HN 0.200 nan 8.250 nan 0.000 0.476 1263 I N -1.728 118.839 120.570 -0.005 0.000 4.228 1263 I HA -0.061 4.098 4.170 -0.018 0.000 0.298 1263 I C 1.707 177.836 176.117 0.020 0.000 1.206 1263 I CA 0.012 61.321 61.300 0.015 0.000 1.322 1263 I CB 0.196 38.200 38.000 0.005 0.000 1.411 1263 I HN 0.163 nan 8.210 nan 0.000 0.454 1264 E N 1.425 121.628 120.200 0.006 0.000 2.274 1264 E HA -0.123 4.216 4.350 -0.018 0.000 0.194 1264 E C 1.430 178.036 176.600 0.010 0.000 0.996 1264 E CA 1.125 57.530 56.400 0.009 0.000 0.840 1264 E CB -0.191 29.509 29.700 0.001 0.000 0.772 1264 E HN 0.375 nan 8.360 nan 0.000 0.491 1265 N N 0.488 119.191 118.700 0.005 0.000 2.354 1265 N HA -0.041 4.688 4.740 -0.018 0.000 0.179 1265 N C 0.705 176.227 175.510 0.021 0.000 1.021 1265 N CA 1.490 54.545 53.050 0.009 0.000 0.887 1265 N CB 0.114 38.601 38.487 -0.000 0.000 0.974 1265 N HN 0.252 nan 8.380 nan 0.000 0.437 1266 T N -0.279 114.293 114.554 0.030 0.000 3.278 1266 T HA 0.303 4.642 4.350 -0.018 0.000 0.251 1266 T C 1.489 176.218 174.700 0.049 0.000 1.039 1266 T CA 0.144 62.270 62.100 0.045 0.000 0.935 1266 T CB 0.343 69.248 68.868 0.061 0.000 1.034 1266 T HN 0.135 nan 8.240 nan 0.000 0.575 1267 M N -0.680 118.943 119.600 0.038 0.000 2.330 1267 M HA 0.317 4.786 4.480 -0.018 0.000 0.207 1267 M C 1.310 177.625 176.300 0.026 0.000 1.622 1267 M CA 0.359 55.680 55.300 0.036 0.000 1.045 1267 M CB 0.296 32.917 32.600 0.036 0.000 1.461 1267 M HN 0.156 nan 8.290 nan 0.000 0.564 1268 L N 0.469 121.705 121.223 0.022 0.000 1.961 1268 L HA -0.106 4.223 4.340 -0.018 0.000 0.209 1268 L C 0.432 177.315 176.870 0.022 0.000 1.075 1268 L CA 1.435 56.285 54.840 0.017 0.000 0.749 1268 L CB -0.333 41.734 42.059 0.014 0.000 0.890 1268 L HN 0.190 nan 8.230 nan 0.000 0.433 1269 E N 0.136 120.353 120.200 0.028 0.000 2.427 1269 E HA 0.119 4.458 4.350 -0.018 0.000 0.259 1269 E C 0.173 176.801 176.600 0.047 0.000 1.267 1269 E CA -0.085 56.339 56.400 0.040 0.000 1.425 1269 E CB 0.196 29.916 29.700 0.033 0.000 1.482 1269 E HN 0.246 nan 8.360 nan 0.000 0.460 1270 N N -0.027 118.705 118.700 0.053 0.000 2.451 1270 N HA 0.015 4.744 4.740 -0.018 0.000 0.308 1270 N C -0.442 175.107 175.510 0.064 0.000 0.699 1270 N CA -0.033 53.050 53.050 0.056 0.000 1.060 1270 N CB 0.644 39.157 38.487 0.044 0.000 1.865 1270 N HN 0.107 nan 8.380 nan 0.000 1.333 1271 I N 3.213 123.811 120.570 0.047 0.000 2.396 1271 I HA 0.184 4.343 4.170 -0.018 0.000 0.289 1271 I C 0.153 176.280 176.117 0.016 0.000 1.056 1271 I CA 0.410 61.733 61.300 0.037 0.000 1.365 1271 I CB 0.649 38.669 38.000 0.033 0.000 1.407 1271 I HN 0.070 nan 8.210 nan 0.000 0.509 1272 T N 7.940 122.514 114.554 0.035 0.000 2.907 1272 T HA 0.291 4.630 4.350 -0.018 0.000 0.298 1272 T C 1.237 175.911 174.700 -0.044 0.000 1.017 1272 T CA -0.176 61.922 62.100 -0.004 0.000 1.118 1272 T CB 1.424 70.359 68.868 0.112 0.000 0.948 1272 T HN 0.340 nan 8.240 nan 0.000 0.531 1273 L N 1.705 122.868 121.223 -0.100 0.000 2.526 1273 L HA 0.368 4.697 4.340 -0.018 0.000 0.210 1273 L C 0.934 177.769 176.870 -0.058 0.000 1.048 1273 L CA 0.456 55.254 54.840 -0.070 0.000 0.852 1273 L CB 0.174 42.186 42.059 -0.078 0.000 1.128 1273 L HN 0.627 nan 8.230 nan 0.000 0.482 1274 R N -1.227 119.231 120.500 -0.071 0.000 2.561 1274 R HA 0.650 4.979 4.340 -0.018 0.000 0.266 1274 R C -0.440 175.863 176.300 0.005 0.000 1.091 1274 R CA -0.327 55.755 56.100 -0.030 0.000 0.927 1274 R CB 1.099 31.379 30.300 -0.034 0.000 1.240 1274 R HN 0.056 nan 8.270 nan 0.000 0.449 1275 G N 0.566 109.395 108.800 0.048 0.000 2.549 1275 G HA2 0.005 3.954 3.960 -0.018 0.000 0.404 1275 G HA3 0.005 3.954 3.960 -0.018 0.000 0.404 1275 G C -1.296 173.694 174.900 0.151 0.000 1.292 1275 G CA -0.470 44.689 45.100 0.098 0.000 0.935 1275 G HN 0.641 nan 8.290 nan 0.000 0.512 1276 V N 0.879 120.868 119.914 0.125 0.000 2.815 1276 V HA 0.613 4.722 4.120 -0.018 0.000 0.314 1276 V C 0.796 176.834 176.094 -0.093 0.000 1.064 1276 V CA -0.192 62.139 62.300 0.051 0.000 0.952 1276 V CB 1.637 33.464 31.823 0.006 0.000 1.020 1276 V HN 1.115 nan 8.190 nan 0.000 0.439 1277 E N 2.734 122.787 120.200 -0.245 0.000 2.422 1277 E HA 0.142 4.481 4.350 -0.018 0.000 0.260 1277 E C -0.069 176.332 176.600 -0.332 0.000 1.108 1277 E CA -0.088 55.981 56.400 -0.552 0.000 0.943 1277 E CB 0.111 29.618 29.700 -0.322 0.000 0.961 1277 E HN 0.683 nan 8.360 nan 0.000 0.443 1278 N N -1.124 117.376 118.700 -0.333 0.000 2.994 1278 N HA -0.155 4.574 4.740 -0.018 0.000 0.221 1278 N C -0.816 174.631 175.510 -0.105 0.000 0.900 1278 N CA 0.795 53.748 53.050 -0.161 0.000 1.008 1278 N CB -1.158 37.264 38.487 -0.108 0.000 1.053 1278 N HN 0.403 nan 8.380 nan 0.000 0.580 1279 I N 1.563 122.067 120.570 -0.110 0.000 2.385 1279 I HA 0.195 4.354 4.170 -0.018 0.000 0.294 1279 I C 1.460 177.602 176.117 0.042 0.000 0.988 1279 I CA 0.226 61.520 61.300 -0.010 0.000 1.265 1279 I CB 1.597 39.617 38.000 0.032 0.000 1.388 1279 I HN 0.076 nan 8.210 nan 0.000 0.480 1280 E N 5.229 125.449 120.200 0.033 0.000 2.587 1280 E HA 0.294 4.633 4.350 -0.018 0.000 0.260 1280 E C 0.080 176.704 176.600 0.040 0.000 0.928 1280 E CA -0.358 56.066 56.400 0.039 0.000 1.084 1280 E CB 0.483 30.192 29.700 0.014 0.000 2.100 1280 E HN 0.589 nan 8.360 nan 0.000 0.551 1281 R N 0.096 120.604 120.500 0.013 0.000 2.573 1281 R HA 0.569 4.898 4.340 -0.018 0.000 0.272 1281 R C -1.089 175.235 176.300 0.039 0.000 1.009 1281 R CA -0.674 55.426 56.100 -0.000 0.000 1.059 1281 R CB 1.500 31.743 30.300 -0.095 0.000 1.112 1281 R HN 0.013 nan 8.270 nan 0.000 0.517 1282 V N 1.867 121.850 119.914 0.115 0.000 2.577 1282 V HA 0.267 4.376 4.120 -0.018 0.000 0.294 1282 V C -0.792 175.507 176.094 0.341 0.000 1.052 1282 V CA -0.895 61.498 62.300 0.154 0.000 0.891 1282 V CB 1.643 33.535 31.823 0.114 0.000 1.017 1282 V HN 0.631 nan 8.190 nan 0.000 0.436 1283 V N 5.133 125.201 119.914 0.257 0.000 2.513 1283 V HA 0.550 4.659 4.120 -0.018 0.000 0.299 1283 V C 0.195 176.413 176.094 0.205 0.000 1.035 1283 V CA -0.766 61.732 62.300 0.330 0.000 0.889 1283 V CB 1.775 33.705 31.823 0.177 0.000 0.988 1283 V HN 0.915 nan 8.190 nan 0.000 0.440 1284 M N 4.601 124.301 119.600 0.168 0.000 2.238 1284 M HA 0.603 5.072 4.480 -0.018 0.000 0.347 1284 M C -0.442 176.044 176.300 0.309 0.000 1.173 1284 M CA 0.446 55.864 55.300 0.197 0.000 1.147 1284 M CB 0.287 32.897 32.600 0.016 0.000 1.547 1284 M HN 0.591 nan 8.290 nan 0.000 0.455 1285 M N 2.334 122.174 119.600 0.399 0.000 2.271 1285 M HA 0.321 4.790 4.480 -0.018 0.000 0.285 1285 M C -0.964 175.459 176.300 0.204 0.000 1.059 1285 M CA -0.287 55.169 55.300 0.259 0.000 0.940 1285 M CB 2.030 34.673 32.600 0.072 0.000 1.636 1285 M HN 0.615 nan 8.290 nan 0.000 0.460 1286 K N 3.591 123.987 120.400 -0.008 0.000 2.083 1286 K HA 0.154 4.463 4.320 -0.018 0.000 0.246 1286 K C -1.462 175.024 176.600 -0.191 0.000 1.160 1286 K CA 0.041 56.109 56.287 -0.366 0.000 1.060 1286 K CB -0.038 32.118 32.500 -0.573 0.000 1.417 1286 K HN 0.589 nan 8.250 nan 0.000 0.329 1287 Y N 1.510 121.761 120.300 -0.081 0.000 2.377 1287 Y HA -0.013 4.526 4.550 -0.018 0.000 0.330 1287 Y C 0.509 176.393 175.900 -0.027 0.000 1.108 1287 Y CA 0.009 58.111 58.100 0.002 0.000 1.308 1287 Y CB 0.647 39.174 38.460 0.111 0.000 1.216 1287 Y HN 0.503 nan 8.280 nan 0.000 0.518 1288 D N 2.947 123.446 120.400 0.164 0.000 2.329 1288 D HA 0.471 5.100 4.640 -0.018 0.000 0.246 1288 D C -0.377 175.998 176.300 0.125 0.000 1.111 1288 D CA -0.200 53.857 54.000 0.095 0.000 0.941 1288 D CB 0.666 41.497 40.800 0.052 0.000 1.169 1288 D HN 0.403 nan 8.370 nan 0.000 0.441 1289 R N 0.754 121.296 120.500 0.070 0.000 2.579 1289 R HA 0.164 4.493 4.340 -0.018 0.000 0.260 1289 R C -1.380 174.951 176.300 0.051 0.000 1.103 1289 R CA -0.757 55.374 56.100 0.051 0.000 0.942 1289 R CB 0.865 31.182 30.300 0.028 0.000 1.251 1289 R HN 0.314 nan 8.270 nan 0.000 0.450 1290 K N 2.661 123.089 120.400 0.046 0.000 2.249 1290 K HA 0.443 4.753 4.320 -0.018 0.000 0.280 1290 K C -0.752 175.982 176.600 0.224 0.000 1.033 1290 K CA -0.557 55.795 56.287 0.108 0.000 0.946 1290 K CB 1.842 34.311 32.500 -0.052 0.000 1.005 1290 K HN 0.215 nan 8.250 nan 0.000 0.469 1291 V N 4.291 124.399 119.914 0.323 0.000 2.888 1291 V HA 0.235 4.344 4.120 -0.018 0.000 0.309 1291 V C -2.405 173.716 176.094 0.046 0.000 1.114 1291 V CA -2.000 60.414 62.300 0.190 0.000 0.940 1291 V CB 2.252 34.118 31.823 0.073 0.000 1.021 1291 V HN 0.720 nan 8.190 nan 0.000 0.426 1292 P HA 0.048 nan 4.420 nan 0.000 0.263 1292 P C -0.234 176.976 177.300 -0.150 0.000 1.247 1292 P CA 0.387 63.322 63.100 -0.274 0.000 0.876 1292 P CB 0.561 32.141 31.700 -0.201 0.000 0.928 1293 S N 5.244 120.857 115.700 -0.146 0.000 2.405 1293 S HA 0.231 4.690 4.470 -0.018 0.000 0.291 1293 S C -1.138 173.412 174.600 -0.083 0.000 1.137 1293 S CA -1.558 56.595 58.200 -0.079 0.000 1.061 1293 S CB 0.044 63.215 63.200 -0.048 0.000 1.001 1293 S HN 0.156 nan 8.310 nan 0.000 0.507 1294 P HA -0.190 nan 4.420 nan 0.000 0.219 1294 P C 1.629 178.898 177.300 -0.052 0.000 1.149 1294 P CA 1.444 64.508 63.100 -0.060 0.000 0.835 1294 P CB -0.095 31.579 31.700 -0.043 0.000 0.778 1295 T N -3.430 111.100 114.554 -0.041 0.000 2.881 1295 T HA -0.003 4.336 4.350 -0.018 0.000 0.270 1295 T C 1.489 176.172 174.700 -0.027 0.000 1.068 1295 T CA 2.153 64.238 62.100 -0.026 0.000 1.131 1295 T CB -0.509 68.351 68.868 -0.013 0.000 0.871 1295 T HN 0.294 nan 8.240 nan 0.000 0.479 1296 G N 0.047 108.815 108.800 -0.053 0.000 3.288 1296 G HA2 -0.073 3.876 3.960 -0.018 0.000 0.195 1296 G HA3 -0.073 3.876 3.960 -0.018 0.000 0.195 1296 G C -0.272 174.574 174.900 -0.090 0.000 1.093 1296 G CA -0.079 44.986 45.100 -0.057 0.000 0.852 1296 G HN 0.606 nan 8.290 nan 0.000 0.453 1297 E N 0.121 120.289 120.200 -0.054 0.000 2.374 1297 E HA 0.558 4.897 4.350 -0.018 0.000 0.260 1297 E C -0.859 175.690 176.600 -0.084 0.000 1.101 1297 E CA -0.455 55.931 56.400 -0.023 0.000 0.907 1297 E CB 0.663 30.380 29.700 0.029 0.000 1.014 1297 E HN 0.367 nan 8.360 nan 0.000 0.427 1298 Y N 0.722 121.038 120.300 0.028 0.000 2.504 1298 Y HA 0.261 4.800 4.550 -0.018 0.000 0.351 1298 Y C -0.389 175.520 175.900 0.015 0.000 0.988 1298 Y CA -0.587 57.526 58.100 0.021 0.000 1.239 1298 Y CB 0.487 38.962 38.460 0.025 0.000 1.128 1298 Y HN 0.161 nan 8.280 nan 0.000 0.525 1299 V N 4.032 124.031 119.914 0.141 0.000 2.630 1299 V HA 0.313 4.422 4.120 -0.018 0.000 0.305 1299 V C -0.336 175.811 176.094 0.088 0.000 1.046 1299 V CA -1.790 60.564 62.300 0.090 0.000 0.934 1299 V CB 1.721 33.571 31.823 0.046 0.000 1.003 1299 V HN 0.557 nan 8.190 nan 0.000 0.451 1300 K N 2.600 123.036 120.400 0.060 0.000 2.416 1300 K HA 0.250 4.559 4.320 -0.018 0.000 0.283 1300 K C -0.122 176.496 176.600 0.029 0.000 1.037 1300 K CA 0.146 56.459 56.287 0.044 0.000 0.995 1300 K CB 0.695 33.211 32.500 0.026 0.000 0.938 1300 K HN 0.731 nan 8.250 nan 0.000 0.475 1301 E N 5.272 125.489 120.200 0.030 0.000 2.114 1301 E HA 0.204 4.543 4.350 -0.018 0.000 0.266 1301 E C -2.397 174.198 176.600 -0.008 0.000 0.896 1301 E CA -2.513 53.895 56.400 0.013 0.000 0.750 1301 E CB 0.995 30.709 29.700 0.022 0.000 1.121 1301 E HN 0.268 nan 8.360 nan 0.000 0.413 1302 P HA 0.091 nan 4.420 nan 0.000 0.281 1302 P C -1.347 175.864 177.300 -0.148 0.000 1.252 1302 P CA -0.038 62.990 63.100 -0.120 0.000 0.778 1302 P CB 0.724 32.317 31.700 -0.177 0.000 0.895 1303 E N 2.154 122.271 120.200 -0.137 0.000 2.317 1303 E HA 0.400 4.739 4.350 -0.018 0.000 0.270 1303 E C -1.338 175.202 176.600 -0.099 0.000 0.885 1303 E CA -0.991 55.364 56.400 -0.076 0.000 0.760 1303 E CB 1.083 30.835 29.700 0.087 0.000 1.227 1303 E HN 0.282 nan 8.360 nan 0.000 0.434 1304 W N 2.063 123.453 121.300 0.150 0.000 2.311 1304 W HA 0.441 5.090 4.660 -0.018 0.000 0.310 1304 W C -0.618 175.997 176.519 0.160 0.000 1.274 1304 W CA -0.455 56.973 57.345 0.138 0.000 1.215 1304 W CB 1.290 30.805 29.460 0.092 0.000 1.227 1304 W HN 0.226 nan 8.180 nan 0.000 0.523 1305 V N 4.947 125.116 119.914 0.425 0.000 2.876 1305 V HA 0.437 4.546 4.120 -0.018 0.000 0.312 1305 V C -0.248 175.971 176.094 0.209 0.000 1.085 1305 V CA -1.286 61.163 62.300 0.249 0.000 0.945 1305 V CB 1.855 33.810 31.823 0.220 0.000 1.017 1305 V HN 0.292 nan 8.190 nan 0.000 0.428 1306 L N 3.504 124.777 121.223 0.082 0.000 2.282 1306 L HA 0.554 4.883 4.340 -0.018 0.000 0.288 1306 L C -0.060 176.841 176.870 0.053 0.000 1.033 1306 L CA -0.458 54.432 54.840 0.083 0.000 0.807 1306 L CB 1.209 43.303 42.059 0.058 0.000 1.209 1306 L HN 0.589 nan 8.230 nan 0.000 0.423 1307 E N 2.961 123.217 120.200 0.093 0.000 2.134 1307 E HA 0.374 4.714 4.350 -0.018 0.000 0.278 1307 E C -0.730 175.900 176.600 0.051 0.000 0.959 1307 E CA -0.327 56.116 56.400 0.072 0.000 0.783 1307 E CB 1.927 31.683 29.700 0.093 0.000 1.095 1307 E HN 0.459 nan 8.360 nan 0.000 0.399 1308 T N 1.602 116.170 114.554 0.023 0.000 2.885 1308 T HA 0.267 4.606 4.350 -0.018 0.000 0.285 1308 T C -0.151 174.549 174.700 0.000 0.000 1.019 1308 T CA -0.758 61.351 62.100 0.015 0.000 1.010 1308 T CB 1.171 70.044 68.868 0.008 0.000 1.022 1308 T HN 0.168 nan 8.240 nan 0.000 0.466 1309 D N 1.431 121.831 120.400 -0.001 0.000 2.615 1309 D HA 0.421 5.050 4.640 -0.018 0.000 0.236 1309 D C 0.455 176.747 176.300 -0.013 0.000 1.233 1309 D CA 0.088 54.083 54.000 -0.009 0.000 0.829 1309 D CB 0.209 41.003 40.800 -0.009 0.000 1.024 1309 D HN 0.725 nan 8.370 nan 0.000 0.490 1310 G N -1.104 107.685 108.800 -0.018 0.000 2.718 1310 G HA2 0.495 4.444 3.960 -0.018 0.000 0.295 1310 G HA3 0.495 4.444 3.960 -0.018 0.000 0.295 1310 G C -1.435 173.443 174.900 -0.035 0.000 1.421 1310 G CA -0.489 44.594 45.100 -0.029 0.000 0.902 1310 G HN -0.043 nan 8.290 nan 0.000 0.501 1311 V N 2.121 122.009 119.914 -0.044 0.000 2.349 1311 V HA 0.521 4.630 4.120 -0.018 0.000 0.284 1311 V C -0.195 175.872 176.094 -0.045 0.000 1.014 1311 V CA -0.814 61.459 62.300 -0.045 0.000 0.826 1311 V CB 1.353 33.145 31.823 -0.052 0.000 1.009 1311 V HN 0.793 nan 8.190 nan 0.000 0.431 1312 N N 4.285 122.964 118.700 -0.036 0.000 2.700 1312 N HA 0.083 4.812 4.740 -0.018 0.000 0.242 1312 N C 0.671 176.171 175.510 -0.016 0.000 1.541 1312 N CA -0.334 52.697 53.050 -0.032 0.000 0.764 1312 N CB 1.184 39.645 38.487 -0.043 0.000 1.319 1312 N HN 0.552 nan 8.380 nan 0.000 0.518 1313 L N 1.671 122.888 121.223 -0.009 0.000 2.079 1313 L HA -0.087 4.242 4.340 -0.018 0.000 0.210 1313 L C 1.900 178.776 176.870 0.010 0.000 1.081 1313 L CA 1.983 56.828 54.840 0.008 0.000 0.752 1313 L CB -0.618 41.453 42.059 0.019 0.000 0.896 1313 L HN 0.329 nan 8.230 nan 0.000 0.433 1314 S N -0.772 114.929 115.700 0.003 0.000 2.422 1314 S HA -0.335 4.124 4.470 -0.018 0.000 0.241 1314 S C 1.900 176.504 174.600 0.006 0.000 1.076 1314 S CA 2.177 60.380 58.200 0.004 0.000 1.066 1314 S CB -0.390 62.808 63.200 -0.004 0.000 0.890 1314 S HN 0.691 nan 8.310 nan 0.000 0.465 1315 E N -0.780 119.422 120.200 0.004 0.000 2.508 1315 E HA 0.136 4.476 4.350 -0.018 0.000 0.217 1315 E C 1.621 178.228 176.600 0.012 0.000 0.896 1315 E CA 0.019 56.423 56.400 0.006 0.000 1.118 1315 E CB 0.459 30.160 29.700 0.001 0.000 1.133 1315 E HN 0.265 nan 8.360 nan 0.000 0.526 1316 V N 2.480 122.401 119.914 0.013 0.000 2.295 1316 V HA -0.311 3.798 4.120 -0.018 0.000 0.246 1316 V C 2.578 178.688 176.094 0.027 0.000 1.049 1316 V CA 2.169 64.481 62.300 0.019 0.000 1.024 1316 V CB -0.646 31.188 31.823 0.017 0.000 0.648 1316 V HN 0.474 nan 8.190 nan 0.000 0.447 1317 M N 1.256 120.875 119.600 0.031 0.000 2.460 1317 M HA -0.083 4.386 4.480 -0.018 0.000 0.263 1317 M C 1.893 178.212 176.300 0.032 0.000 1.071 1317 M CA 2.117 57.440 55.300 0.038 0.000 1.096 1317 M CB -1.084 31.541 32.600 0.042 0.000 1.408 1317 M HN 0.440 nan 8.290 nan 0.000 0.463 1318 T N -1.593 112.976 114.554 0.025 0.000 3.113 1318 T HA 0.218 4.557 4.350 -0.018 0.000 0.256 1318 T C 0.583 175.296 174.700 0.021 0.000 1.131 1318 T CA -0.205 61.907 62.100 0.021 0.000 1.074 1318 T CB -0.556 68.321 68.868 0.015 0.000 0.944 1318 T HN 0.226 nan 8.240 nan 0.000 0.516 1319 V N 4.762 124.690 119.914 0.025 0.000 2.530 1319 V HA 0.312 4.421 4.120 -0.018 0.000 0.282 1319 V C -1.937 174.174 176.094 0.030 0.000 1.048 1319 V CA -2.132 60.182 62.300 0.024 0.000 0.997 1319 V CB 0.988 32.825 31.823 0.024 0.000 0.987 1319 V HN 0.365 nan 8.190 nan 0.000 0.477 1320 P HA 0.225 nan 4.420 nan 0.000 0.267 1320 P C 0.701 178.025 177.300 0.040 0.000 1.205 1320 P CA 0.824 63.943 63.100 0.032 0.000 0.765 1320 P CB 0.915 32.629 31.700 0.023 0.000 0.828 1321 G N 2.219 111.054 108.800 0.058 0.000 2.205 1321 G HA2 -0.131 3.818 3.960 -0.018 0.000 0.180 1321 G HA3 -0.131 3.818 3.960 -0.018 0.000 0.180 1321 G C -0.018 174.938 174.900 0.094 0.000 1.004 1321 G CA 0.081 45.227 45.100 0.076 0.000 0.670 1321 G HN 0.708 nan 8.290 nan 0.000 0.496 1322 I N -1.459 119.161 120.570 0.082 0.000 3.023 1322 I HA 0.807 4.966 4.170 -0.018 0.000 0.312 1322 I C -1.467 174.703 176.117 0.089 0.000 1.056 1322 I CA -0.927 60.429 61.300 0.093 0.000 1.033 1322 I CB 2.034 40.084 38.000 0.082 0.000 1.233 1322 I HN -0.103 nan 8.210 nan 0.000 0.462 1323 D N 4.925 125.388 120.400 0.105 0.000 2.468 1323 D HA 0.391 5.021 4.640 -0.018 0.000 0.218 1323 D C -2.084 174.266 176.300 0.084 0.000 1.155 1323 D CA -2.024 52.027 54.000 0.085 0.000 0.924 1323 D CB 0.760 41.614 40.800 0.090 0.000 1.029 1323 D HN 0.292 nan 8.370 nan 0.000 0.515 1324 P HA 0.108 nan 4.420 nan 0.000 0.254 1324 P C 0.369 177.696 177.300 0.044 0.000 1.631 1324 P CA 0.131 63.265 63.100 0.056 0.000 0.861 1324 P CB 0.543 32.268 31.700 0.043 0.000 1.663 1325 T N -1.649 112.931 114.554 0.043 0.000 2.966 1325 T HA 0.202 4.541 4.350 -0.018 0.000 0.254 1325 T C 1.335 176.050 174.700 0.025 0.000 0.961 1325 T CA 0.269 62.381 62.100 0.021 0.000 0.915 1325 T CB 0.154 69.019 68.868 -0.006 0.000 1.186 1325 T HN -0.026 nan 8.240 nan 0.000 0.505 1326 R N 0.391 120.929 120.500 0.063 0.000 2.397 1326 R HA 0.440 4.769 4.340 -0.018 0.000 0.241 1326 R C 0.379 176.849 176.300 0.284 0.000 0.914 1326 R CA -0.226 55.931 56.100 0.096 0.000 1.071 1326 R CB 0.509 30.792 30.300 -0.028 0.000 1.116 1326 R HN 0.360 nan 8.270 nan 0.000 0.524 1327 I N 1.814 122.515 120.570 0.219 0.000 2.662 1327 I HA -0.121 4.038 4.170 -0.018 0.000 0.285 1327 I C -1.034 175.246 176.117 0.271 0.000 1.161 1327 I CA 0.384 61.812 61.300 0.214 0.000 1.415 1327 I CB 0.186 38.266 38.000 0.132 0.000 1.385 1327 I HN 0.013 nan 8.210 nan 0.000 0.552 1328 Y N 6.931 127.283 120.300 0.088 0.000 2.329 1328 Y HA 0.420 4.959 4.550 -0.018 0.000 0.328 1328 Y C -0.622 175.305 175.900 0.045 0.000 0.992 1328 Y CA -1.122 57.023 58.100 0.076 0.000 1.151 1328 Y CB 1.380 39.906 38.460 0.110 0.000 1.150 1328 Y HN 0.535 nan 8.280 nan 0.000 0.450 1329 T N 4.987 119.450 114.554 -0.152 0.000 2.829 1329 T HA 0.131 4.470 4.350 -0.018 0.000 0.282 1329 T C 1.213 175.584 174.700 -0.548 0.000 0.990 1329 T CA -0.799 61.136 62.100 -0.274 0.000 1.028 1329 T CB 0.920 69.732 68.868 -0.095 0.000 0.951 1329 T HN 0.702 nan 8.240 nan 0.000 0.460 1330 N N 1.213 119.647 118.700 -0.444 0.000 2.443 1330 N HA -0.120 4.609 4.740 -0.018 0.000 0.184 1330 N C 0.740 176.219 175.510 -0.052 0.000 1.037 1330 N CA 0.397 53.252 53.050 -0.324 0.000 0.896 1330 N CB -0.204 38.189 38.487 -0.157 0.000 0.959 1330 N HN 0.478 nan 8.380 nan 0.000 0.442 1331 S N 0.289 115.949 115.700 -0.066 0.000 2.443 1331 S HA 0.122 4.581 4.470 -0.018 0.000 0.284 1331 S C 0.748 175.357 174.600 0.015 0.000 1.206 1331 S CA -0.883 57.282 58.200 -0.059 0.000 1.074 1331 S CB -0.688 62.444 63.200 -0.113 0.000 0.963 1331 S HN 0.325 nan 8.310 nan 0.000 0.501 1332 F N 4.542 124.516 119.950 0.040 0.000 2.664 1332 F HA 0.285 4.801 4.527 -0.018 0.000 0.296 1332 F C 1.505 177.339 175.800 0.056 0.000 1.125 1332 F CA -0.214 57.833 58.000 0.078 0.000 1.444 1332 F CB -0.261 38.797 39.000 0.096 0.000 1.114 1332 F HN 0.493 nan 8.300 nan 0.000 0.576 1333 I N 1.869 122.052 120.570 -0.646 0.000 2.315 1333 I HA -0.209 3.950 4.170 -0.018 0.000 0.248 1333 I C 1.158 177.189 176.117 -0.143 0.000 1.117 1333 I CA 1.695 62.755 61.300 -0.401 0.000 1.404 1333 I CB -0.663 37.048 38.000 -0.483 0.000 1.071 1333 I HN 0.156 nan 8.210 nan 0.000 0.419 1334 D N 0.344 120.676 120.400 -0.114 0.000 2.162 1334 D HA -0.041 4.588 4.640 -0.018 0.000 0.205 1334 D C 2.297 178.604 176.300 0.011 0.000 0.964 1334 D CA 0.550 54.523 54.000 -0.045 0.000 0.847 1334 D CB 0.068 40.839 40.800 -0.048 0.000 0.988 1334 D HN 0.154 nan 8.370 nan 0.000 0.480 1335 I N 1.126 121.726 120.570 0.050 0.000 2.315 1335 I HA -0.272 3.888 4.170 -0.018 0.000 0.251 1335 I C 2.209 178.381 176.117 0.091 0.000 1.125 1335 I CA 1.040 62.401 61.300 0.101 0.000 1.392 1335 I CB -0.568 37.542 38.000 0.183 0.000 1.065 1335 I HN 0.243 nan 8.210 nan 0.000 0.424 1336 M N 0.707 120.359 119.600 0.086 0.000 2.086 1336 M HA -0.230 4.239 4.480 -0.018 0.000 0.261 1336 M C 1.977 178.306 176.300 0.049 0.000 1.067 1336 M CA 1.932 57.279 55.300 0.079 0.000 1.116 1336 M CB -0.175 32.477 32.600 0.085 0.000 1.348 1336 M HN 0.181 nan 8.290 nan 0.000 0.407 1337 E N -0.770 119.448 120.200 0.030 0.000 2.216 1337 E HA -0.099 4.240 4.350 -0.018 0.000 0.192 1337 E C 1.947 178.559 176.600 0.021 0.000 0.988 1337 E CA 0.916 57.328 56.400 0.020 0.000 0.834 1337 E CB 0.217 29.921 29.700 0.006 0.000 0.772 1337 E HN 0.386 nan 8.360 nan 0.000 0.479 1338 V N 0.778 120.708 119.914 0.026 0.000 2.331 1338 V HA -0.105 4.004 4.120 -0.018 0.000 0.242 1338 V C 1.753 177.866 176.094 0.032 0.000 1.034 1338 V CA 1.199 63.515 62.300 0.027 0.000 1.027 1338 V CB -0.033 31.808 31.823 0.030 0.000 0.667 1338 V HN 0.237 nan 8.190 nan 0.000 0.457 1339 L N 0.031 121.279 121.223 0.042 0.000 2.857 1339 L HA 0.548 4.877 4.340 -0.018 0.000 0.249 1339 L C 0.852 177.745 176.870 0.039 0.000 1.172 1339 L CA 0.347 55.212 54.840 0.041 0.000 0.980 1339 L CB -0.150 41.940 42.059 0.052 0.000 1.299 1339 L HN 0.507 nan 8.230 nan 0.000 0.535 1340 G N 0.515 109.338 108.800 0.039 0.000 2.758 1340 G HA2 -0.265 3.684 3.960 -0.018 0.000 0.686 1340 G HA3 -0.265 3.684 3.960 -0.018 0.000 0.686 1340 G C 0.204 175.132 174.900 0.046 0.000 1.389 1340 G CA -0.255 44.867 45.100 0.037 0.000 0.845 1340 G HN 0.016 nan 8.290 nan 0.000 0.572 1341 I N 0.387 120.983 120.570 0.044 0.000 2.361 1341 I HA -0.040 4.119 4.170 -0.018 0.000 0.251 1341 I C 2.430 178.577 176.117 0.050 0.000 1.133 1341 I CA 2.121 63.452 61.300 0.052 0.000 1.413 1341 I CB 0.010 38.038 38.000 0.046 0.000 1.073 1341 I HN 0.614 nan 8.210 nan 0.000 0.424 1342 E N 0.052 120.274 120.200 0.037 0.000 2.285 1342 E HA -0.017 4.322 4.350 -0.018 0.000 0.194 1342 E C 2.165 178.782 176.600 0.028 0.000 0.997 1342 E CA 0.937 57.353 56.400 0.026 0.000 0.845 1342 E CB -0.026 29.681 29.700 0.013 0.000 0.782 1342 E HN 0.552 nan 8.360 nan 0.000 0.491 1343 A N 0.315 123.159 122.820 0.041 0.000 1.975 1343 A HA 0.077 4.386 4.320 -0.018 0.000 0.215 1343 A C 2.343 179.978 177.584 0.085 0.000 1.170 1343 A CA 1.276 53.343 52.037 0.050 0.000 0.656 1343 A CB -0.529 18.505 19.000 0.056 0.000 0.821 1343 A HN 0.293 nan 8.150 nan 0.000 0.449 1344 G N -0.505 108.357 108.800 0.103 0.000 2.404 1344 G HA2 -0.222 3.727 3.960 -0.018 0.000 0.215 1344 G HA3 -0.222 3.727 3.960 -0.018 0.000 0.215 1344 G C 1.714 176.682 174.900 0.114 0.000 1.174 1344 G CA 0.762 45.951 45.100 0.148 0.000 0.780 1344 G HN 0.335 nan 8.290 nan 0.000 0.537 1345 R N 0.901 121.445 120.500 0.074 0.000 2.140 1345 R HA -0.133 4.196 4.340 -0.018 0.000 0.250 1345 R C 2.616 178.948 176.300 0.054 0.000 1.150 1345 R CA 1.785 57.912 56.100 0.045 0.000 0.966 1345 R CB -0.688 29.624 30.300 0.021 0.000 0.869 1345 R HN 0.355 nan 8.270 nan 0.000 0.445 1346 A N -0.949 121.906 122.820 0.058 0.000 2.147 1346 A HA 0.261 4.570 4.320 -0.018 0.000 0.211 1346 A C 2.077 179.727 177.584 0.110 0.000 1.160 1346 A CA 0.878 52.955 52.037 0.066 0.000 0.781 1346 A CB -0.055 18.949 19.000 0.008 0.000 0.842 1346 A HN 0.372 nan 8.150 nan 0.000 0.475 1347 A N -0.098 122.800 122.820 0.130 0.000 1.855 1347 A HA 0.141 4.450 4.320 -0.018 0.000 0.213 1347 A C 1.976 179.628 177.584 0.115 0.000 1.195 1347 A CA 1.366 53.525 52.037 0.203 0.000 0.610 1347 A CB -0.744 18.451 19.000 0.325 0.000 0.837 1347 A HN 0.528 nan 8.150 nan 0.000 0.444 1348 L N -0.996 120.218 121.223 -0.016 0.000 1.991 1348 L HA -0.257 4.072 4.340 -0.018 0.000 0.221 1348 L C 2.268 179.057 176.870 -0.135 0.000 1.079 1348 L CA 2.777 57.431 54.840 -0.311 0.000 0.778 1348 L CB -1.259 40.653 42.059 -0.245 0.000 0.893 1348 L HN 0.563 nan 8.230 nan 0.000 0.437 1349 Y N 0.574 120.818 120.300 -0.094 0.000 1.993 1349 Y HA -0.366 4.173 4.550 -0.018 0.000 0.267 1349 Y C 2.762 178.688 175.900 0.043 0.000 1.155 1349 Y CA 2.700 60.781 58.100 -0.031 0.000 1.105 1349 Y CB -0.552 37.904 38.460 -0.007 0.000 0.960 1349 Y HN 0.218 nan 8.280 nan 0.000 0.486 1350 K N -0.261 120.210 120.400 0.119 0.000 2.228 1350 K HA -0.294 4.015 4.320 -0.018 0.000 0.205 1350 K C 1.903 178.544 176.600 0.070 0.000 1.045 1350 K CA 1.956 58.279 56.287 0.061 0.000 0.931 1350 K CB -0.170 32.395 32.500 0.108 0.000 0.727 1350 K HN 0.365 nan 8.250 nan 0.000 0.458 1351 E N -0.250 119.971 120.200 0.035 0.000 2.122 1351 E HA -0.052 4.287 4.350 -0.018 0.000 0.190 1351 E C 1.685 178.258 176.600 -0.044 0.000 0.977 1351 E CA 0.558 56.974 56.400 0.028 0.000 0.820 1351 E CB 0.215 29.901 29.700 -0.022 0.000 0.770 1351 E HN 0.042 nan 8.360 nan 0.000 0.462 1352 V N 0.505 120.338 119.914 -0.133 0.000 2.515 1352 V HA -0.208 3.901 4.120 -0.018 0.000 0.250 1352 V C 1.911 177.916 176.094 -0.149 0.000 1.058 1352 V CA 1.639 63.850 62.300 -0.149 0.000 1.064 1352 V CB -0.628 31.084 31.823 -0.184 0.000 0.675 1352 V HN 0.346 nan 8.190 nan 0.000 0.461 1353 Y N 1.639 121.746 120.300 -0.321 0.000 2.181 1353 Y HA -0.200 4.339 4.550 -0.018 0.000 0.288 1353 Y C 2.437 178.279 175.900 -0.097 0.000 1.146 1353 Y CA 1.848 59.791 58.100 -0.262 0.000 1.164 1353 Y CB -0.049 38.212 38.460 -0.332 0.000 0.982 1353 Y HN 0.270 nan 8.280 nan 0.000 0.515 1354 N N -0.569 118.213 118.700 0.136 0.000 2.550 1354 N HA -0.091 4.638 4.740 -0.018 0.000 0.186 1354 N C 1.564 177.093 175.510 0.032 0.000 1.110 1354 N CA 0.823 53.945 53.050 0.121 0.000 0.912 1354 N CB 0.198 38.778 38.487 0.155 0.000 0.968 1354 N HN 0.278 nan 8.380 nan 0.000 0.448 1355 V N 0.711 120.613 119.914 -0.020 0.000 2.492 1355 V HA -0.008 4.101 4.120 -0.018 0.000 0.241 1355 V C 2.084 178.132 176.094 -0.077 0.000 1.041 1355 V CA 0.633 62.912 62.300 -0.036 0.000 1.057 1355 V CB 0.140 31.942 31.823 -0.034 0.000 0.711 1355 V HN 0.079 nan 8.190 nan 0.000 0.468 1356 I N 0.881 121.368 120.570 -0.137 0.000 2.130 1356 I HA -0.043 4.116 4.170 -0.018 0.000 0.234 1356 I C 2.037 178.035 176.117 -0.198 0.000 1.067 1356 I CA 1.937 63.135 61.300 -0.171 0.000 1.339 1356 I CB -1.346 36.526 38.000 -0.213 0.000 1.073 1356 I HN 0.293 nan 8.210 nan 0.000 0.405 1357 A N 0.535 123.142 122.820 -0.356 0.000 2.734 1357 A HA 0.264 4.573 4.320 -0.018 0.000 0.279 1357 A C 1.625 179.111 177.584 -0.164 0.000 1.386 1357 A CA -0.025 51.800 52.037 -0.354 0.000 0.987 1357 A CB -0.543 17.993 19.000 -0.774 0.000 1.041 1357 A HN 0.415 nan 8.150 nan 0.000 0.569 1358 S N 0.985 116.638 115.700 -0.079 0.000 2.288 1358 S HA -0.050 4.409 4.470 -0.018 0.000 0.191 1358 S C 0.724 175.325 174.600 0.002 0.000 1.028 1358 S CA 0.431 58.629 58.200 -0.003 0.000 1.030 1358 S CB -0.578 62.627 63.200 0.008 0.000 0.932 1358 S HN 0.790 nan 8.310 nan 0.000 0.463 1359 D N 1.924 122.321 120.400 -0.004 0.000 2.598 1359 D HA 0.267 4.896 4.640 -0.018 0.000 0.231 1359 D C 1.108 177.401 176.300 -0.012 0.000 1.127 1359 D CA 0.708 54.705 54.000 -0.005 0.000 1.126 1359 D CB -0.535 40.263 40.800 -0.005 0.000 1.124 1359 D HN 0.675 nan 8.370 nan 0.000 0.485 1360 G N 1.463 110.259 108.800 -0.007 0.000 2.396 1360 G HA2 -0.335 3.614 3.960 -0.018 0.000 0.242 1360 G HA3 -0.335 3.614 3.960 -0.018 0.000 0.242 1360 G C 0.639 175.548 174.900 0.014 0.000 1.069 1360 G CA 0.225 45.324 45.100 -0.002 0.000 0.633 1360 G HN 0.551 nan 8.290 nan 0.000 0.517 1361 S N 0.121 115.820 115.700 -0.001 0.000 2.558 1361 S HA 0.427 4.886 4.470 -0.018 0.000 0.287 1361 S C -0.440 174.198 174.600 0.064 0.000 1.321 1361 S CA 0.708 58.912 58.200 0.008 0.000 1.048 1361 S CB 0.903 64.077 63.200 -0.045 0.000 0.844 1361 S HN 0.992 nan 8.310 nan 0.000 0.512 1362 Y N 2.083 122.350 120.300 -0.056 0.000 2.362 1362 Y HA 0.503 5.042 4.550 -0.018 0.000 0.326 1362 Y C -1.439 174.469 175.900 0.013 0.000 1.083 1362 Y CA -0.738 57.341 58.100 -0.035 0.000 1.073 1362 Y CB 0.884 39.346 38.460 0.002 0.000 1.211 1362 Y HN 0.377 nan 8.280 nan 0.000 0.433 1363 V N 5.668 125.239 119.914 -0.573 0.000 2.487 1363 V HA 0.292 4.402 4.120 -0.018 0.000 0.298 1363 V C -0.281 175.435 176.094 -0.629 0.000 1.028 1363 V CA -1.237 60.793 62.300 -0.450 0.000 0.860 1363 V CB 1.697 33.431 31.823 -0.149 0.000 0.991 1363 V HN 0.835 nan 8.190 nan 0.000 0.427 1364 N N 2.562 120.970 118.700 -0.488 0.000 2.434 1364 N HA -0.021 4.708 4.740 -0.018 0.000 0.268 1364 N C 1.111 176.584 175.510 -0.062 0.000 1.256 1364 N CA -0.011 52.890 53.050 -0.248 0.000 0.914 1364 N CB 0.119 38.577 38.487 -0.049 0.000 1.088 1364 N HN 0.751 nan 8.380 nan 0.000 0.478 1365 Y N 4.971 125.283 120.300 0.020 0.000 2.368 1365 Y HA -0.529 4.010 4.550 -0.018 0.000 0.260 1365 Y C 1.948 177.818 175.900 -0.049 0.000 1.348 1365 Y CA 2.700 60.866 58.100 0.111 0.000 1.049 1365 Y CB -0.270 38.255 38.460 0.108 0.000 0.854 1365 Y HN 0.693 nan 8.280 nan 0.000 0.531 1366 R N -1.372 119.026 120.500 -0.169 0.000 2.159 1366 R HA -0.288 4.041 4.340 -0.018 0.000 0.249 1366 R C 1.822 177.868 176.300 -0.423 0.000 1.136 1366 R CA 2.044 57.882 56.100 -0.436 0.000 0.951 1366 R CB -1.499 28.507 30.300 -0.490 0.000 0.876 1366 R HN 0.515 nan 8.270 nan 0.000 0.440 1367 H N 0.943 119.939 119.070 -0.124 0.000 2.261 1367 H HA 0.035 4.580 4.556 -0.018 0.000 0.301 1367 H C 2.433 177.687 175.328 -0.122 0.000 1.067 1367 H CA 1.848 57.835 56.048 -0.101 0.000 1.297 1367 H CB -0.519 29.205 29.762 -0.064 0.000 1.377 1367 H HN 0.205 nan 8.280 nan 0.000 0.492 1368 M N 0.492 120.113 119.600 0.034 0.000 2.106 1368 M HA -0.156 4.313 4.480 -0.018 0.000 0.259 1368 M C 2.716 179.011 176.300 -0.008 0.000 1.068 1368 M CA 1.720 57.034 55.300 0.024 0.000 1.100 1368 M CB -0.351 32.286 32.600 0.062 0.000 1.351 1368 M HN 0.263 nan 8.290 nan 0.000 0.404 1369 A N 0.367 123.070 122.820 -0.196 0.000 1.933 1369 A HA -0.134 4.175 4.320 -0.018 0.000 0.218 1369 A C 2.191 179.616 177.584 -0.266 0.000 1.175 1369 A CA 1.149 52.943 52.037 -0.406 0.000 0.628 1369 A CB -0.796 17.577 19.000 -1.045 0.000 0.814 1369 A HN 0.459 nan 8.150 nan 0.000 0.444 1370 L N -0.227 120.854 121.223 -0.236 0.000 2.017 1370 L HA -0.160 4.169 4.340 -0.018 0.000 0.208 1370 L C 2.491 179.295 176.870 -0.110 0.000 1.073 1370 L CA 2.570 57.315 54.840 -0.158 0.000 0.745 1370 L CB -1.081 40.919 42.059 -0.097 0.000 0.894 1370 L HN 0.505 nan 8.230 nan 0.000 0.432 1371 L N -0.516 120.654 121.223 -0.089 0.000 2.012 1371 L HA -0.177 4.152 4.340 -0.018 0.000 0.210 1371 L C 2.383 179.201 176.870 -0.085 0.000 1.073 1371 L CA 1.836 56.621 54.840 -0.092 0.000 0.748 1371 L CB -0.906 41.104 42.059 -0.082 0.000 0.891 1371 L HN 0.023 nan 8.230 nan 0.000 0.431 1372 V N 0.226 120.098 119.914 -0.070 0.000 2.343 1372 V HA -0.262 3.847 4.120 -0.018 0.000 0.247 1372 V C 2.357 178.418 176.094 -0.055 0.000 1.051 1372 V CA 2.036 64.306 62.300 -0.050 0.000 1.036 1372 V CB -0.851 30.968 31.823 -0.007 0.000 0.654 1372 V HN 0.519 nan 8.190 nan 0.000 0.451 1373 D N -0.067 120.286 120.400 -0.079 0.000 2.117 1373 D HA -0.131 4.498 4.640 -0.018 0.000 0.197 1373 D C 2.193 178.456 176.300 -0.061 0.000 0.987 1373 D CA 1.300 55.258 54.000 -0.071 0.000 0.829 1373 D CB -0.168 40.574 40.800 -0.096 0.000 0.961 1373 D HN 0.318 nan 8.370 nan 0.000 0.460 1374 V N 1.195 121.063 119.914 -0.075 0.000 2.332 1374 V HA -0.224 3.885 4.120 -0.018 0.000 0.248 1374 V C 2.378 178.445 176.094 -0.046 0.000 1.055 1374 V CA 1.275 63.529 62.300 -0.076 0.000 1.038 1374 V CB -0.382 31.372 31.823 -0.116 0.000 0.651 1374 V HN 0.234 nan 8.190 nan 0.000 0.450 1375 M N -1.077 118.501 119.600 -0.036 0.000 2.700 1375 M HA -0.082 4.387 4.480 -0.018 0.000 0.249 1375 M C 1.714 178.031 176.300 0.028 0.000 1.082 1375 M CA 1.131 56.434 55.300 0.005 0.000 1.077 1375 M CB -0.170 32.434 32.600 0.007 0.000 1.477 1375 M HN 0.322 nan 8.290 nan 0.000 0.529 1376 T N -1.517 113.045 114.554 0.013 0.000 2.980 1376 T HA 0.024 4.363 4.350 -0.018 0.000 0.252 1376 T C 1.721 176.435 174.700 0.023 0.000 0.962 1376 T CA 1.002 63.118 62.100 0.025 0.000 0.932 1376 T CB 0.252 69.132 68.868 0.020 0.000 1.188 1376 T HN 0.477 nan 8.240 nan 0.000 0.500 1377 T N -0.567 113.992 114.554 0.008 0.000 3.043 1377 T HA 0.087 4.426 4.350 -0.018 0.000 0.263 1377 T C 1.735 176.445 174.700 0.017 0.000 1.094 1377 T CA 0.567 62.671 62.100 0.008 0.000 1.127 1377 T CB -0.188 68.670 68.868 -0.016 0.000 0.905 1377 T HN 0.240 nan 8.240 nan 0.000 0.490 1378 Q N 1.039 120.852 119.800 0.021 0.000 2.364 1378 Q HA 0.154 4.483 4.340 -0.018 0.000 0.207 1378 Q C 1.488 177.509 176.000 0.035 0.000 0.970 1378 Q CA 1.172 56.992 55.803 0.029 0.000 0.888 1378 Q CB -0.252 28.509 28.738 0.039 0.000 0.951 1378 Q HN 0.819 nan 8.270 nan 0.000 0.469 1379 G N -1.445 107.377 108.800 0.037 0.000 1.937 1379 G HA2 -0.160 3.789 3.960 -0.018 0.000 0.075 1379 G HA3 -0.160 3.789 3.960 -0.018 0.000 0.075 1379 G C 0.372 175.299 174.900 0.044 0.000 2.264 1379 G CA -0.245 44.878 45.100 0.039 0.000 1.288 1379 G HN 0.502 nan 8.290 nan 0.000 0.396 1380 G N 0.294 109.122 108.800 0.047 0.000 2.514 1380 G HA2 0.501 4.450 3.960 -0.018 0.000 0.245 1380 G HA3 0.501 4.450 3.960 -0.018 0.000 0.245 1380 G C 0.058 174.999 174.900 0.068 0.000 1.488 1380 G CA -0.362 44.770 45.100 0.054 0.000 1.063 1380 G HN 0.778 nan 8.290 nan 0.000 0.557 1381 L N 1.345 122.617 121.223 0.082 0.000 2.270 1381 L HA 0.250 4.579 4.340 -0.018 0.000 0.286 1381 L C 0.006 176.940 176.870 0.106 0.000 1.059 1381 L CA -0.391 54.515 54.840 0.110 0.000 0.839 1381 L CB 0.784 42.937 42.059 0.158 0.000 1.221 1381 L HN 0.289 nan 8.230 nan 0.000 0.431 1382 T N 1.387 116.001 114.554 0.100 0.000 2.779 1382 T HA 0.110 4.449 4.350 -0.018 0.000 0.296 1382 T C 0.661 175.452 174.700 0.152 0.000 0.938 1382 T CA -0.415 61.755 62.100 0.118 0.000 1.119 1382 T CB 0.668 69.602 68.868 0.111 0.000 0.891 1382 T HN 0.690 nan 8.240 nan 0.000 0.526 1383 S N 2.208 118.013 115.700 0.174 0.000 2.564 1383 S HA 0.179 4.638 4.470 -0.018 0.000 0.278 1383 S C 0.465 175.260 174.600 0.326 0.000 1.333 1383 S CA -0.978 57.345 58.200 0.205 0.000 1.048 1383 S CB 0.562 63.872 63.200 0.184 0.000 0.900 1383 S HN 0.444 nan 8.310 nan 0.000 0.505 1384 V N 3.689 123.777 119.914 0.290 0.000 2.052 1384 V HA 0.282 4.391 4.120 -0.018 0.000 0.281 1384 V C 0.236 176.626 176.094 0.495 0.000 1.668 1384 V CA -0.096 62.450 62.300 0.409 0.000 1.621 1384 V CB -1.741 30.152 31.823 0.116 0.000 1.488 1384 V HN 1.072 nan 8.190 nan 0.000 0.513 1385 T N -0.680 114.126 114.554 0.419 0.000 2.787 1385 T HA 0.336 4.675 4.350 -0.018 0.000 0.297 1385 T C 1.178 175.805 174.700 -0.121 0.000 1.221 1385 T CA -0.955 61.295 62.100 0.250 0.000 1.006 1385 T CB 1.696 70.742 68.868 0.296 0.000 1.328 1385 T HN 0.354 nan 8.240 nan 0.000 0.509 1386 R N 0.568 121.062 120.500 -0.010 0.000 2.153 1386 R HA -0.265 4.064 4.340 -0.018 0.000 0.252 1386 R C 1.351 177.470 176.300 -0.302 0.000 1.158 1386 R CA 2.281 58.271 56.100 -0.182 0.000 0.975 1386 R CB -1.215 28.933 30.300 -0.253 0.000 0.871 1386 R HN 0.737 nan 8.270 nan 0.000 0.450 1387 H N 0.602 119.622 119.070 -0.082 0.000 2.256 1387 H HA -0.007 4.538 4.556 -0.018 0.000 0.299 1387 H C 2.287 177.568 175.328 -0.078 0.000 1.071 1387 H CA 1.680 57.696 56.048 -0.054 0.000 1.280 1387 H CB -0.562 29.197 29.762 -0.005 0.000 1.370 1387 H HN 0.428 nan 8.280 nan 0.000 0.490 1388 G N 0.548 109.389 108.800 0.069 0.000 2.707 1388 G HA2 -0.216 3.734 3.960 -0.018 0.000 0.204 1388 G HA3 -0.216 3.734 3.960 -0.018 0.000 0.204 1388 G C 1.341 176.225 174.900 -0.028 0.000 1.435 1388 G CA 0.663 45.797 45.100 0.058 0.000 0.890 1388 G HN 0.512 nan 8.290 nan 0.000 0.552 1389 F N 0.777 120.721 119.950 -0.009 0.000 2.373 1389 F HA 0.061 4.577 4.527 -0.018 0.000 0.300 1389 F C 1.269 177.021 175.800 -0.079 0.000 1.080 1389 F CA 0.825 58.789 58.000 -0.061 0.000 1.417 1389 F CB -0.651 38.281 39.000 -0.114 0.000 1.070 1389 F HN -0.003 nan 8.300 nan 0.000 0.546 1390 N N 0.630 118.973 118.700 -0.595 0.000 2.843 1390 N HA 0.143 4.872 4.740 -0.018 0.000 0.284 1390 N C 1.090 176.511 175.510 -0.149 0.000 1.274 1390 N CA -0.017 52.827 53.050 -0.343 0.000 1.045 1390 N CB 0.005 38.272 38.487 -0.366 0.000 1.370 1390 N HN 0.542 nan 8.380 nan 0.000 0.525 1391 R N -1.236 119.217 120.500 -0.078 0.000 3.578 1391 R HA 0.127 4.456 4.340 -0.018 0.000 0.131 1391 R C -0.555 175.741 176.300 -0.006 0.000 0.722 1391 R CA 0.329 56.408 56.100 -0.035 0.000 1.328 1391 R CB -0.460 29.830 30.300 -0.018 0.000 1.650 1391 R HN 0.065 nan 8.270 nan 0.000 0.485 1392 S N 3.002 118.711 115.700 0.014 0.000 3.159 1392 S HA -0.108 4.352 4.470 -0.018 0.000 0.375 1392 S C -0.177 174.435 174.600 0.019 0.000 1.068 1392 S CA 0.520 58.736 58.200 0.026 0.000 1.678 1392 S CB -1.657 61.569 63.200 0.044 0.000 1.160 1392 S HN 0.612 nan 8.310 nan 0.000 0.605 1393 N N 1.368 120.076 118.700 0.013 0.000 2.805 1393 N HA -0.217 4.512 4.740 -0.018 0.000 0.280 1393 N C -0.344 175.174 175.510 0.013 0.000 0.982 1393 N CA 1.134 54.191 53.050 0.011 0.000 0.846 1393 N CB -1.639 36.858 38.487 0.016 0.000 0.932 1393 N HN 0.654 nan 8.380 nan 0.000 0.583 1394 T N -1.129 113.431 114.554 0.009 0.000 2.948 1394 T HA 0.672 5.011 4.350 -0.018 0.000 0.285 1394 T C 1.024 175.731 174.700 0.011 0.000 1.019 1394 T CA -0.364 61.743 62.100 0.013 0.000 1.013 1394 T CB 1.435 70.313 68.868 0.017 0.000 1.117 1394 T HN 0.485 nan 8.240 nan 0.000 0.533 1395 G N -0.124 108.688 108.800 0.020 0.000 2.272 1395 G HA2 0.376 4.325 3.960 -0.018 0.000 0.247 1395 G HA3 0.376 4.325 3.960 -0.018 0.000 0.247 1395 G C 1.098 176.010 174.900 0.021 0.000 1.272 1395 G CA -0.104 45.016 45.100 0.034 0.000 0.921 1395 G HN 0.912 nan 8.290 nan 0.000 0.495 1396 A N 3.298 126.124 122.820 0.012 0.000 1.908 1396 A HA -0.083 4.226 4.320 -0.018 0.000 0.218 1396 A C 2.436 179.989 177.584 -0.052 0.000 1.181 1396 A CA 1.163 53.154 52.037 -0.078 0.000 0.627 1396 A CB -0.337 18.509 19.000 -0.256 0.000 0.818 1396 A HN 0.655 nan 8.150 nan 0.000 0.445 1397 L N -0.937 120.312 121.223 0.043 0.000 2.042 1397 L HA -0.261 4.069 4.340 -0.018 0.000 0.210 1397 L C 2.907 179.796 176.870 0.031 0.000 1.076 1397 L CA 2.157 57.035 54.840 0.062 0.000 0.749 1397 L CB -0.500 41.633 42.059 0.122 0.000 0.893 1397 L HN 0.726 nan 8.230 nan 0.000 0.432 1398 M N -0.506 119.113 119.600 0.031 0.000 2.132 1398 M HA -0.216 4.253 4.480 -0.018 0.000 0.263 1398 M C 2.293 178.613 176.300 0.033 0.000 1.065 1398 M CA 1.663 56.981 55.300 0.030 0.000 1.122 1398 M CB -0.260 32.354 32.600 0.023 0.000 1.365 1398 M HN 0.022 nan 8.290 nan 0.000 0.411 1399 R N -0.417 120.091 120.500 0.013 0.000 2.241 1399 R HA -0.137 4.192 4.340 -0.018 0.000 0.224 1399 R C 2.426 178.739 176.300 0.021 0.000 1.101 1399 R CA 1.282 57.387 56.100 0.009 0.000 0.995 1399 R CB -0.625 29.658 30.300 -0.029 0.000 0.870 1399 R HN 0.592 nan 8.270 nan 0.000 0.463 1400 C N 0.671 119.970 119.300 -0.001 0.000 2.466 1400 C HA 0.004 4.453 4.460 -0.018 0.000 0.278 1400 C C 1.462 176.468 174.990 0.027 0.000 1.288 1400 C CA 0.889 59.895 59.018 -0.019 0.000 1.722 1400 C CB -0.472 27.238 27.740 -0.051 0.000 2.017 1400 C HN 0.436 nan 8.230 nan 0.000 0.488 1401 S N -0.445 115.292 115.700 0.061 0.000 4.069 1401 S HA 0.324 4.784 4.470 -0.018 0.000 0.192 1401 S C -0.182 174.543 174.600 0.208 0.000 1.441 1401 S CA -0.351 57.903 58.200 0.090 0.000 0.994 1401 S CB -0.324 62.918 63.200 0.071 0.000 1.456 1401 S HN 0.643 nan 8.310 nan 0.000 0.458 1402 F N 1.145 121.090 119.950 -0.009 0.000 1.928 1402 F HA 0.436 4.952 4.527 -0.018 0.000 0.221 1402 F C 1.231 177.032 175.800 0.001 0.000 1.265 1402 F CA -0.163 57.844 58.000 0.012 0.000 1.270 1402 F CB 0.035 39.044 39.000 0.015 0.000 1.955 1402 F HN 0.293 nan 8.300 nan 0.000 0.147 1403 E N -0.536 119.434 120.200 -0.382 0.000 2.475 1403 E HA 0.149 4.488 4.350 -0.018 0.000 0.205 1403 E C -0.452 176.013 176.600 -0.225 0.000 0.822 1403 E CA -0.045 56.056 56.400 -0.498 0.000 1.240 1403 E CB 1.145 30.367 29.700 -0.796 0.000 1.222 1403 E HN 0.298 nan 8.360 nan 0.000 0.581 1404 E N 0.357 120.476 120.200 -0.136 0.000 2.231 1404 E HA 0.234 4.573 4.350 -0.018 0.000 0.277 1404 E C -0.211 176.336 176.600 -0.088 0.000 0.999 1404 E CA -0.050 56.285 56.400 -0.108 0.000 0.827 1404 E CB 1.908 31.548 29.700 -0.101 0.000 1.101 1404 E HN -0.031 nan 8.360 nan 0.000 0.393 1405 T N 0.566 115.060 114.554 -0.101 0.000 3.221 1405 T HA 0.026 4.365 4.350 -0.018 0.000 0.250 1405 T C 1.619 176.216 174.700 -0.172 0.000 0.988 1405 T CA 0.017 62.049 62.100 -0.113 0.000 1.163 1405 T CB 0.068 68.874 68.868 -0.103 0.000 1.098 1405 T HN 0.190 nan 8.240 nan 0.000 0.422 1406 V N 3.566 123.362 119.914 -0.197 0.000 2.256 1406 V HA -0.094 4.015 4.120 -0.018 0.000 0.240 1406 V C 2.843 178.708 176.094 -0.381 0.000 1.036 1406 V CA 1.776 63.855 62.300 -0.369 0.000 1.008 1406 V CB -0.851 30.780 31.823 -0.320 0.000 0.648 1406 V HN 0.573 nan 8.190 nan 0.000 0.453 1407 E N 1.027 121.185 120.200 -0.070 0.000 2.208 1407 E HA -0.276 4.063 4.350 -0.018 0.000 0.202 1407 E C 2.121 178.694 176.600 -0.044 0.000 1.014 1407 E CA 1.979 58.427 56.400 0.080 0.000 0.819 1407 E CB -0.639 29.086 29.700 0.041 0.000 0.735 1407 E HN 0.506 nan 8.360 nan 0.000 0.469 1408 I N 1.048 121.542 120.570 -0.128 0.000 2.202 1408 I HA -0.178 3.981 4.170 -0.018 0.000 0.242 1408 I C 2.747 178.720 176.117 -0.240 0.000 1.091 1408 I CA 0.808 62.015 61.300 -0.155 0.000 1.368 1408 I CB -0.784 37.131 38.000 -0.141 0.000 1.058 1408 I HN 0.121 nan 8.210 nan 0.000 0.410 1409 L N -0.533 120.499 121.223 -0.318 0.000 2.056 1409 L HA -0.179 4.151 4.340 -0.018 0.000 0.207 1409 L C 2.625 179.317 176.870 -0.296 0.000 1.078 1409 L CA 1.262 55.848 54.840 -0.425 0.000 0.749 1409 L CB -0.622 41.184 42.059 -0.422 0.000 0.901 1409 L HN 0.067 nan 8.230 nan 0.000 0.433 1410 F N 0.888 120.696 119.950 -0.237 0.000 2.120 1410 F HA -0.300 4.216 4.527 -0.018 0.000 0.300 1410 F C 2.704 178.367 175.800 -0.228 0.000 1.095 1410 F CA 1.577 59.396 58.000 -0.301 0.000 1.249 1410 F CB -0.144 38.597 39.000 -0.431 0.000 0.995 1410 F HN 0.275 nan 8.300 nan 0.000 0.480 1411 E N 0.500 120.693 120.200 -0.011 0.000 2.158 1411 E HA -0.100 4.239 4.350 -0.018 0.000 0.191 1411 E C 2.175 178.716 176.600 -0.097 0.000 0.982 1411 E CA 0.825 57.197 56.400 -0.047 0.000 0.823 1411 E CB -0.429 29.225 29.700 -0.076 0.000 0.766 1411 E HN 0.317 nan 8.360 nan 0.000 0.468 1412 A N 1.945 124.648 122.820 -0.194 0.000 1.908 1412 A HA -0.086 4.223 4.320 -0.018 0.000 0.218 1412 A C 2.528 180.037 177.584 -0.125 0.000 1.181 1412 A CA 1.797 53.651 52.037 -0.305 0.000 0.627 1412 A CB -1.329 17.192 19.000 -0.798 0.000 0.818 1412 A HN 0.428 nan 8.150 nan 0.000 0.445 1413 G N -1.032 107.750 108.800 -0.030 0.000 2.422 1413 G HA2 0.114 4.063 3.960 -0.018 0.000 0.218 1413 G HA3 0.114 4.063 3.960 -0.018 0.000 0.218 1413 G C 1.617 176.586 174.900 0.116 0.000 1.140 1413 G CA 1.349 46.533 45.100 0.140 0.000 0.775 1413 G HN 0.754 nan 8.290 nan 0.000 0.545 1414 A N 0.903 123.787 122.820 0.107 0.000 1.835 1414 A HA 0.143 4.452 4.320 -0.018 0.000 0.213 1414 A C 2.436 179.818 177.584 -0.336 0.000 1.210 1414 A CA 1.784 53.801 52.037 -0.033 0.000 0.605 1414 A CB -0.577 18.498 19.000 0.125 0.000 0.860 1414 A HN 0.233 nan 8.150 nan 0.000 0.447 1415 S N 0.053 115.572 115.700 -0.302 0.000 2.727 1415 S HA 0.339 4.798 4.470 -0.018 0.000 0.226 1415 S C 0.950 175.455 174.600 -0.159 0.000 0.963 1415 S CA 0.614 58.617 58.200 -0.328 0.000 0.950 1415 S CB -0.737 62.325 63.200 -0.230 0.000 0.779 1415 S HN 1.547 nan 8.310 nan 0.000 0.532 1416 A N 1.484 124.255 122.820 -0.082 0.000 2.364 1416 A HA -0.232 4.077 4.320 -0.018 0.000 0.288 1416 A C 0.278 177.882 177.584 0.033 0.000 1.433 1416 A CA 0.629 52.679 52.037 0.022 0.000 0.757 1416 A CB -1.628 17.423 19.000 0.085 0.000 1.098 1416 A HN 0.617 nan 8.150 nan 0.000 0.380 1417 E N -1.395 118.833 120.200 0.047 0.000 2.398 1417 E HA 0.390 4.729 4.350 -0.018 0.000 0.263 1417 E C 0.085 176.766 176.600 0.135 0.000 1.046 1417 E CA -0.240 56.200 56.400 0.068 0.000 0.908 1417 E CB 0.674 30.387 29.700 0.022 0.000 0.963 1417 E HN 0.667 nan 8.360 nan 0.000 0.431 1418 L N 2.634 123.900 121.223 0.072 0.000 2.296 1418 L HA 0.291 4.620 4.340 -0.018 0.000 0.286 1418 L C -0.797 176.115 176.870 0.069 0.000 1.023 1418 L CA -0.301 54.560 54.840 0.034 0.000 0.812 1418 L CB 1.450 43.506 42.059 -0.005 0.000 1.223 1418 L HN 0.426 nan 8.230 nan 0.000 0.421 1419 D N 2.282 122.728 120.400 0.076 0.000 2.225 1419 D HA 0.118 4.747 4.640 -0.018 0.000 0.248 1419 D C 0.514 176.833 176.300 0.032 0.000 1.096 1419 D CA -0.162 53.895 54.000 0.095 0.000 0.863 1419 D CB 1.413 42.315 40.800 0.169 0.000 1.156 1419 D HN 0.675 nan 8.370 nan 0.000 0.450 1420 D N 2.193 122.614 120.400 0.034 0.000 2.144 1420 D HA -0.123 4.506 4.640 -0.018 0.000 0.199 1420 D C 0.528 176.836 176.300 0.013 0.000 0.984 1420 D CA 0.733 54.746 54.000 0.021 0.000 0.834 1420 D CB -0.009 40.805 40.800 0.024 0.000 0.955 1420 D HN 0.631 nan 8.370 nan 0.000 0.465 1421 C N -0.451 118.859 119.300 0.016 0.000 4.588 1421 C HA -0.122 4.327 4.460 -0.018 0.000 0.295 1421 C C 1.296 176.291 174.990 0.008 0.000 1.316 1421 C CA -0.102 58.920 59.018 0.008 0.000 2.041 1421 C CB -2.476 25.259 27.740 -0.007 0.000 1.224 1421 C HN 0.402 nan 8.230 nan 0.000 0.779 1422 R N -0.001 120.507 120.500 0.015 0.000 2.469 1422 R HA 0.252 4.581 4.340 -0.018 0.000 0.250 1422 R C 1.185 177.493 176.300 0.013 0.000 0.909 1422 R CA 0.779 56.890 56.100 0.018 0.000 1.050 1422 R CB 0.326 30.644 30.300 0.030 0.000 1.256 1422 R HN 0.617 nan 8.270 nan 0.000 0.550 1423 G N 0.275 109.081 108.800 0.010 0.000 2.588 1423 G HA2 0.287 4.236 3.960 -0.018 0.000 0.281 1423 G HA3 0.287 4.236 3.960 -0.018 0.000 0.281 1423 G C 1.138 176.032 174.900 -0.010 0.000 1.236 1423 G CA -0.525 44.575 45.100 0.001 0.000 0.969 1423 G HN -0.147 nan 8.290 nan 0.000 0.504 1424 V N 0.353 120.256 119.914 -0.019 0.000 2.229 1424 V HA -0.178 3.931 4.120 -0.018 0.000 0.243 1424 V C 3.102 179.188 176.094 -0.013 0.000 1.042 1424 V CA 2.437 64.722 62.300 -0.025 0.000 1.000 1424 V CB -1.039 30.764 31.823 -0.034 0.000 0.637 1424 V HN 0.686 nan 8.190 nan 0.000 0.446 1425 S N -0.396 115.301 115.700 -0.004 0.000 2.368 1425 S HA -0.332 4.127 4.470 -0.018 0.000 0.226 1425 S C 1.920 176.526 174.600 0.010 0.000 1.044 1425 S CA 2.108 60.313 58.200 0.008 0.000 1.062 1425 S CB -0.454 62.758 63.200 0.019 0.000 0.931 1425 S HN 0.643 nan 8.310 nan 0.000 0.440 1426 E N 1.483 121.691 120.200 0.013 0.000 2.082 1426 E HA -0.187 4.152 4.350 -0.018 0.000 0.215 1426 E C 1.789 178.393 176.600 0.006 0.000 1.048 1426 E CA 1.736 58.146 56.400 0.016 0.000 0.869 1426 E CB -0.310 29.400 29.700 0.015 0.000 0.773 1426 E HN 0.521 nan 8.360 nan 0.000 0.466 1427 N N -0.352 118.347 118.700 -0.003 0.000 2.512 1427 N HA -0.087 4.642 4.740 -0.018 0.000 0.183 1427 N C 1.607 177.112 175.510 -0.008 0.000 1.073 1427 N CA 0.557 53.602 53.050 -0.009 0.000 0.911 1427 N CB 0.308 38.785 38.487 -0.017 0.000 0.964 1427 N HN 0.019 nan 8.380 nan 0.000 0.447 1428 V N 1.758 121.669 119.914 -0.005 0.000 2.283 1428 V HA -0.149 3.960 4.120 -0.018 0.000 0.243 1428 V C 2.221 178.317 176.094 0.004 0.000 1.039 1428 V CA 1.221 63.519 62.300 -0.003 0.000 1.016 1428 V CB -0.255 31.567 31.823 -0.003 0.000 0.650 1428 V HN 0.149 nan 8.190 nan 0.000 0.449 1429 I N -0.212 120.363 120.570 0.009 0.000 2.286 1429 I HA -0.234 3.925 4.170 -0.018 0.000 0.248 1429 I C 1.979 178.102 176.117 0.010 0.000 1.115 1429 I CA 1.604 62.912 61.300 0.013 0.000 1.392 1429 I CB -0.298 37.715 38.000 0.022 0.000 1.065 1429 I HN 0.217 nan 8.210 nan 0.000 0.418 1430 L N 0.863 122.089 121.223 0.005 0.000 2.599 1430 L HA 0.179 4.508 4.340 -0.018 0.000 0.230 1430 L C 1.158 178.026 176.870 -0.002 0.000 1.141 1430 L CA 0.088 54.927 54.840 -0.001 0.000 0.877 1430 L CB -0.748 41.307 42.059 -0.007 0.000 1.009 1430 L HN 0.457 nan 8.230 nan 0.000 0.447 1431 G N 1.050 109.849 108.800 -0.001 0.000 2.372 1431 G HA2 -0.279 3.670 3.960 -0.018 0.000 0.297 1431 G HA3 -0.279 3.670 3.960 -0.018 0.000 0.297 1431 G C -0.127 174.769 174.900 -0.006 0.000 1.005 1431 G CA 0.273 45.372 45.100 -0.002 0.000 1.173 1431 G HN 0.462 nan 8.290 nan 0.000 0.511 1432 Q N -1.191 118.603 119.800 -0.011 0.000 2.587 1432 Q HA 0.635 4.964 4.340 -0.018 0.000 0.293 1432 Q C 0.520 176.506 176.000 -0.024 0.000 1.083 1432 Q CA -1.105 54.688 55.803 -0.016 0.000 0.792 1432 Q CB 1.223 29.952 28.738 -0.016 0.000 1.484 1432 Q HN 0.350 nan 8.270 nan 0.000 0.446 1433 M N 2.071 121.653 119.600 -0.031 0.000 3.042 1433 M HA 0.313 4.782 4.480 -0.018 0.000 0.283 1433 M C -0.865 175.402 176.300 -0.055 0.000 1.473 1433 M CA -0.223 55.050 55.300 -0.046 0.000 1.583 1433 M CB -0.422 32.148 32.600 -0.050 0.000 1.221 1433 M HN 0.691 nan 8.290 nan 0.000 0.518 1434 A N 5.879 128.668 122.820 -0.052 0.000 2.520 1434 A HA 0.286 4.596 4.320 -0.018 0.000 0.245 1434 A C -2.085 175.455 177.584 -0.074 0.000 1.072 1434 A CA -1.060 50.946 52.037 -0.052 0.000 0.761 1434 A CB -0.593 18.381 19.000 -0.044 0.000 1.004 1434 A HN 0.613 nan 8.150 nan 0.000 0.499 1435 P HA -0.017 nan 4.420 nan 0.000 0.188 1435 P C -0.119 177.116 177.300 -0.108 0.000 1.353 1435 P CA 0.849 63.900 63.100 -0.081 0.000 1.027 1435 P CB -0.415 31.262 31.700 -0.038 0.000 1.709 1436 I N -0.840 119.653 120.570 -0.127 0.000 5.119 1436 I HA 0.257 4.416 4.170 -0.018 0.000 0.164 1436 I C 2.288 178.310 176.117 -0.159 0.000 1.062 1436 I CA -0.179 61.042 61.300 -0.132 0.000 1.870 1436 I CB -0.532 37.405 38.000 -0.106 0.000 1.333 1436 I HN 0.006 nan 8.210 nan 0.000 0.466 1437 G N -0.189 108.527 108.800 -0.140 0.000 2.404 1437 G HA2 -0.112 3.837 3.960 -0.018 0.000 0.214 1437 G HA3 -0.112 3.837 3.960 -0.018 0.000 0.214 1437 G C 1.255 176.072 174.900 -0.138 0.000 1.189 1437 G CA 1.104 46.129 45.100 -0.124 0.000 0.789 1437 G HN 0.517 nan 8.290 nan 0.000 0.533 1438 T N 0.167 114.618 114.554 -0.172 0.000 3.086 1438 T HA 0.305 4.645 4.350 -0.018 0.000 0.250 1438 T C 1.480 175.866 174.700 -0.523 0.000 1.074 1438 T CA 0.554 62.523 62.100 -0.219 0.000 0.988 1438 T CB 0.738 69.549 68.868 -0.093 0.000 0.988 1438 T HN 0.316 nan 8.240 nan 0.000 0.530 1439 G N 0.341 108.865 108.800 -0.460 0.000 4.331 1439 G HA2 0.528 4.477 3.960 -0.018 0.000 0.299 1439 G HA3 0.528 4.477 3.960 -0.018 0.000 0.299 1439 G C 1.008 175.657 174.900 -0.417 0.000 1.158 1439 G CA 0.119 44.944 45.100 -0.458 0.000 0.916 1439 G HN 0.374 nan 8.290 nan 0.000 0.553 1440 A N 0.360 122.835 122.820 -0.575 0.000 2.067 1440 A HA 0.519 4.828 4.320 -0.018 0.000 0.217 1440 A C 0.585 178.216 177.584 0.079 0.000 1.156 1440 A CA 0.484 52.447 52.037 -0.124 0.000 0.683 1440 A CB -0.313 18.797 19.000 0.185 0.000 0.808 1440 A HN 0.610 nan 8.150 nan 0.000 0.455 1441 F N -2.338 117.685 119.950 0.122 0.000 2.613 1441 F HA 0.721 5.237 4.527 -0.018 0.000 0.314 1441 F C -0.946 174.880 175.800 0.044 0.000 1.075 1441 F CA -1.969 56.078 58.000 0.080 0.000 0.945 1441 F CB 0.712 39.752 39.000 0.068 0.000 1.310 1441 F HN -0.219 nan 8.300 nan 0.000 0.467 1442 D N 0.556 121.076 120.400 0.201 0.000 2.432 1442 D HA 0.632 5.261 4.640 -0.018 0.000 0.258 1442 D C -0.806 175.606 176.300 0.186 0.000 1.146 1442 D CA -0.328 53.751 54.000 0.132 0.000 1.015 1442 D CB 2.099 42.945 40.800 0.076 0.000 1.107 1442 D HN 0.377 nan 8.370 nan 0.000 0.529 1443 V N 1.045 121.034 119.914 0.125 0.000 2.577 1443 V HA 0.418 4.527 4.120 -0.018 0.000 0.303 1443 V C 0.157 176.288 176.094 0.062 0.000 1.042 1443 V CA -0.595 61.769 62.300 0.106 0.000 0.872 1443 V CB 1.576 33.470 31.823 0.118 0.000 0.998 1443 V HN 0.417 nan 8.190 nan 0.000 0.423 1444 M N 3.774 123.400 119.600 0.044 0.000 2.642 1444 M HA 0.699 5.168 4.480 -0.018 0.000 0.274 1444 M C -1.099 175.214 176.300 0.022 0.000 1.052 1444 M CA -0.655 54.663 55.300 0.030 0.000 0.955 1444 M CB 1.971 34.586 32.600 0.024 0.000 1.638 1444 M HN 0.496 nan 8.290 nan 0.000 0.539 1445 I N 0.000 120.580 120.570 0.016 0.000 2.984 1445 I HA 0.000 4.159 4.170 -0.018 0.000 0.288 1445 I CA 0.000 61.308 61.300 0.013 0.000 1.566 1445 I CB 0.000 38.009 38.000 0.014 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494