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 2b8k_1_A DATA FIRST_RESID 2 DATA SEQUENCE VGQQYSSAPL RTVKEVQFGL FSPEEVRAIS VAKIRFPETM DETQTRAKIG DATA SEQUENCE GLNDPRLGSI DRNLKcQTCQ EGMNEcPGHF GHIDLAKPVF HVGFIAKIKK DATA SEQUENCE VCECVCMHCG KLLLDEHNEL MRQALAIKDS KKRFAAIWTL CKTKMVCETD DATA SEQUENCE VPSEDDPTQL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXDEPELRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSIS DATA SEQUENCE FNESQRGEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQALQKSGRP VKSIRARLKG KEGRIRGNLM GKRVDFSART DATA SEQUENCE VISGDPNLEL DQVGVPKSIA KTLTYPEVVT PYNIDRLTQL VRNGPNEHPG DATA SEQUENCE AKYVIRDSGD RIDLRYSKRA GDIQLQYGWK VERHIMDNDP VLFNRQPSLH DATA SEQUENCE KMSMMAHRVK VIPYSTFRLN LSVTSPYNAD FDGDEMNLHV PQSEETRAEL DATA SEQUENCE SQLCAVPLQI VSPQSNKPCM GIVQDTLCGI RKLTLRDTFI ELDQVLNMLY DATA SEQUENCE WVPDWDGVIP TPAIIKPKPL WSGKQILSVA IPNGIHLQRF DEGTTLLSPK DATA SEQUENCE DNGMLIIDGQ IIFGVVEKKT VGSSNGGLIH VVTREKGPQV CAKLFGNIQK DATA SEQUENCE VVNFWLLHNG FSTGIGDTIA DGPTMREITE TIAEAKKKVL DVTKEAQANL DATA SEQUENCE LTAKHGMTLR ESFEDNVVRF LNEARDKAGR LAEVNLKDLN NVKQMVMAGS DATA SEQUENCE KGSFINIAQM SACVGQQSVE GKRIAFGFVD RTLPHFSKDD YSPESKGFVE DATA SEQUENCE NSYLRGLTPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMIDEESLV DATA SEQUENCE KYMP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.091 176.094 -0.005 0.000 1.182 2 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 2 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 3 G N 2.210 111.006 108.800 -0.008 0.000 2.527 3 G HA2 -0.158 3.804 3.960 0.003 0.000 0.218 3 G HA3 -0.158 3.804 3.960 0.003 0.000 0.218 3 G C 0.376 175.273 174.900 -0.006 0.000 1.177 3 G CA 1.385 46.481 45.100 -0.006 0.000 0.695 3 G HN 1.980 nan 8.290 nan 0.000 0.517 4 Q N -1.677 118.122 119.800 -0.003 0.000 0.586 4 Q HA -0.117 4.225 4.340 0.003 0.000 0.251 4 Q C -0.333 175.679 176.000 0.020 0.000 1.087 4 Q CA 0.461 56.263 55.803 -0.002 0.000 0.479 4 Q CB -1.184 27.543 28.738 -0.018 0.000 5.149 4 Q HN 1.334 nan 8.270 nan 0.000 0.310 5 Q N -0.422 119.394 119.800 0.026 0.000 3.207 5 Q HA -0.238 4.104 4.340 0.003 0.000 0.028 5 Q C -1.167 174.896 176.000 0.105 0.000 1.694 5 Q CA 1.304 57.139 55.803 0.053 0.000 0.251 5 Q CB -0.380 28.373 28.738 0.024 0.000 0.584 5 Q HN 0.455 nan 8.270 nan 0.000 0.322 6 Y N 2.248 122.537 120.300 -0.018 0.000 2.301 6 Y HA 0.441 4.993 4.550 0.003 0.000 0.325 6 Y C -0.164 175.730 175.900 -0.010 0.000 1.203 6 Y CA -0.116 57.975 58.100 -0.015 0.000 1.255 6 Y CB 1.262 39.714 38.460 -0.015 0.000 1.232 6 Y HN 0.469 nan 8.280 nan 0.000 0.501 7 S N 2.220 117.666 115.700 -0.422 0.000 2.557 7 S HA 0.310 4.782 4.470 0.003 0.000 0.291 7 S C 0.141 174.334 174.600 -0.679 0.000 1.116 7 S CA -0.218 57.669 58.200 -0.522 0.000 0.992 7 S CB 1.060 64.149 63.200 -0.184 0.000 1.028 7 S HN 0.892 nan 8.310 nan 0.000 0.484 8 S N 2.010 117.343 115.700 -0.612 0.000 2.595 8 S HA 0.225 4.697 4.470 0.003 0.000 0.235 8 S C 0.873 175.395 174.600 -0.130 0.000 0.974 8 S CA 0.002 58.004 58.200 -0.330 0.000 0.942 8 S CB -0.768 62.304 63.200 -0.214 0.000 0.766 8 S HN 1.287 nan 8.310 nan 0.000 0.536 9 A N 3.738 126.484 122.820 -0.124 0.000 2.409 9 A HA 0.544 4.866 4.320 0.003 0.000 0.267 9 A C -1.341 176.235 177.584 -0.013 0.000 1.127 9 A CA -1.521 50.483 52.037 -0.055 0.000 0.795 9 A CB -0.160 18.808 19.000 -0.052 0.000 1.061 9 A HN 0.426 nan 8.150 nan 0.000 0.502 10 P HA 0.275 nan 4.420 nan 0.000 0.270 10 P C -0.814 176.493 177.300 0.011 0.000 1.227 10 P CA -0.124 62.985 63.100 0.015 0.000 0.788 10 P CB 0.616 32.321 31.700 0.009 0.000 0.926 11 L N 0.756 121.989 121.223 0.017 0.000 2.381 11 L HA 0.572 4.914 4.340 0.003 0.000 0.274 11 L C -0.359 176.514 176.870 0.004 0.000 0.988 11 L CA -0.406 54.441 54.840 0.011 0.000 0.824 11 L CB 1.718 43.789 42.059 0.020 0.000 1.263 11 L HN 0.340 nan 8.230 nan 0.000 0.410 12 R N 1.476 121.974 120.500 -0.004 0.000 2.987 12 R HA 0.733 5.075 4.340 0.003 0.000 0.248 12 R C -0.917 175.374 176.300 -0.014 0.000 1.264 12 R CA -0.573 55.523 56.100 -0.008 0.000 1.026 12 R CB 1.884 32.178 30.300 -0.010 0.000 1.286 12 R HN 0.717 nan 8.270 nan 0.000 0.483 13 T N -1.706 112.838 114.554 -0.017 0.000 2.895 13 T HA 0.409 4.761 4.350 0.003 0.000 0.283 13 T C 0.171 174.853 174.700 -0.030 0.000 1.014 13 T CA -0.768 61.319 62.100 -0.023 0.000 1.037 13 T CB 1.556 70.411 68.868 -0.021 0.000 1.006 13 T HN 0.133 nan 8.240 nan 0.000 0.468 14 V N 3.538 123.429 119.914 -0.038 0.000 2.572 14 V HA 0.169 4.291 4.120 0.003 0.000 0.291 14 V C 1.110 177.175 176.094 -0.048 0.000 1.039 14 V CA 0.069 62.339 62.300 -0.051 0.000 1.055 14 V CB 0.685 32.471 31.823 -0.062 0.000 0.969 14 V HN 0.912 nan 8.190 nan 0.000 0.482 15 K N 3.009 123.378 120.400 -0.052 0.000 2.367 15 K HA 0.313 4.635 4.320 0.003 0.000 0.198 15 K C 0.192 176.759 176.600 -0.055 0.000 1.132 15 K CA 0.271 56.532 56.287 -0.043 0.000 0.941 15 K CB 1.024 33.505 32.500 -0.031 0.000 1.052 15 K HN 0.694 nan 8.250 nan 0.000 0.507 16 E N 0.839 120.992 120.200 -0.077 0.000 2.369 16 E HA 0.417 4.769 4.350 0.003 0.000 0.270 16 E C -1.295 175.203 176.600 -0.170 0.000 0.909 16 E CA -0.841 55.498 56.400 -0.101 0.000 0.775 16 E CB 3.127 32.778 29.700 -0.082 0.000 1.270 16 E HN -0.263 nan 8.360 nan 0.000 0.445 17 V N 2.263 122.028 119.914 -0.248 0.000 2.409 17 V HA 0.179 4.301 4.120 0.003 0.000 0.290 17 V C -0.674 175.069 176.094 -0.585 0.000 1.017 17 V CA -0.839 61.197 62.300 -0.441 0.000 0.841 17 V CB 1.479 32.983 31.823 -0.533 0.000 1.003 17 V HN 0.543 nan 8.190 nan 0.000 0.426 18 Q N 4.027 123.500 119.800 -0.545 0.000 2.390 18 Q HA 0.453 4.794 4.340 0.003 0.000 0.249 18 Q C -0.899 174.760 176.000 -0.567 0.000 0.996 18 Q CA -0.101 55.396 55.803 -0.510 0.000 0.899 18 Q CB 1.196 29.610 28.738 -0.540 0.000 1.216 18 Q HN 0.649 nan 8.270 nan 0.000 0.465 19 F N 1.342 121.173 119.950 -0.199 0.000 2.421 19 F HA 0.445 4.974 4.527 0.003 0.000 0.358 19 F C 1.204 176.896 175.800 -0.179 0.000 1.115 19 F CA -0.298 57.598 58.000 -0.174 0.000 1.160 19 F CB 1.177 40.127 39.000 -0.084 0.000 1.123 19 F HN 0.463 nan 8.300 nan 0.000 0.508 20 G N 3.743 112.507 108.800 -0.061 0.000 3.211 20 G HA2 0.800 4.762 3.960 0.003 0.000 0.262 20 G HA3 0.800 4.762 3.960 0.003 0.000 0.262 20 G C -1.506 173.340 174.900 -0.090 0.000 1.352 20 G CA -0.828 44.215 45.100 -0.095 0.000 1.004 20 G HN 0.427 nan 8.290 nan 0.000 0.559 21 L N -0.359 120.788 121.223 -0.128 0.000 2.370 21 L HA 0.473 4.815 4.340 0.003 0.000 0.266 21 L C -1.005 175.650 176.870 -0.359 0.000 1.002 21 L CA -0.717 54.067 54.840 -0.093 0.000 0.818 21 L CB 2.740 44.893 42.059 0.157 0.000 1.325 21 L HN 0.419 nan 8.230 nan 0.000 0.418 22 F N 1.022 120.793 119.950 -0.298 0.000 2.438 22 F HA 0.133 4.662 4.527 0.003 0.000 0.356 22 F C 0.771 176.166 175.800 -0.674 0.000 1.099 22 F CA -0.496 57.257 58.000 -0.412 0.000 1.185 22 F CB 1.457 40.328 39.000 -0.215 0.000 1.115 22 F HN 0.458 nan 8.300 nan 0.000 0.526 23 S N 5.958 121.314 115.700 -0.574 0.000 2.465 23 S HA 0.176 4.647 4.470 0.003 0.000 0.279 23 S C -1.643 172.964 174.600 0.012 0.000 1.201 23 S CA -1.405 56.455 58.200 -0.567 0.000 1.053 23 S CB 1.158 64.215 63.200 -0.238 0.000 0.953 23 S HN 0.455 nan 8.310 nan 0.000 0.488 24 P HA -0.248 nan 4.420 nan 0.000 0.219 24 P C 0.900 178.244 177.300 0.072 0.000 1.153 24 P CA 1.536 64.703 63.100 0.112 0.000 0.865 24 P CB 0.183 31.986 31.700 0.172 0.000 0.788 25 E N 0.097 120.377 120.200 0.133 0.000 2.038 25 E HA -0.208 4.144 4.350 0.003 0.000 0.195 25 E C 2.273 178.889 176.600 0.027 0.000 1.000 25 E CA 1.584 58.040 56.400 0.094 0.000 0.803 25 E CB -0.773 29.019 29.700 0.153 0.000 0.750 25 E HN 0.467 nan 8.360 nan 0.000 0.448 26 E N 0.307 120.526 120.200 0.032 0.000 2.031 26 E HA -0.190 4.162 4.350 0.003 0.000 0.193 26 E C 2.062 178.586 176.600 -0.127 0.000 0.994 26 E CA 1.474 57.879 56.400 0.009 0.000 0.800 26 E CB -0.017 29.756 29.700 0.122 0.000 0.752 26 E HN 0.057 nan 8.360 nan 0.000 0.447 27 V N 1.575 121.324 119.914 -0.275 0.000 2.277 27 V HA -0.394 3.728 4.120 0.003 0.000 0.255 27 V C 2.503 178.437 176.094 -0.268 0.000 1.074 27 V CA 2.536 64.562 62.300 -0.456 0.000 1.058 27 V CB -0.720 30.894 31.823 -0.348 0.000 0.656 27 V HN 0.323 nan 8.190 nan 0.000 0.449 28 R N -0.212 120.163 120.500 -0.208 0.000 2.092 28 R HA -0.125 4.217 4.340 0.003 0.000 0.226 28 R C 2.512 178.654 176.300 -0.263 0.000 1.140 28 R CA 1.476 57.371 56.100 -0.341 0.000 0.910 28 R CB -1.052 29.120 30.300 -0.213 0.000 0.822 28 R HN 0.497 nan 8.270 nan 0.000 0.433 29 A N 1.796 124.530 122.820 -0.143 0.000 1.899 29 A HA -0.304 4.018 4.320 0.003 0.000 0.230 29 A C 2.245 179.779 177.584 -0.083 0.000 1.593 29 A CA 2.355 54.341 52.037 -0.085 0.000 0.728 29 A CB -1.180 17.799 19.000 -0.035 0.000 0.848 29 A HN 0.362 nan 8.150 nan 0.000 0.490 30 I N -0.609 119.911 120.570 -0.083 0.000 2.151 30 I HA -0.192 3.980 4.170 0.003 0.000 0.243 30 I C 1.856 177.957 176.117 -0.026 0.000 1.080 30 I CA 1.076 62.346 61.300 -0.050 0.000 1.339 30 I CB -0.499 37.457 38.000 -0.074 0.000 1.039 30 I HN 0.447 nan 8.210 nan 0.000 0.409 31 S N -0.183 115.481 115.700 -0.061 0.000 2.572 31 S HA 0.034 4.506 4.470 0.003 0.000 0.262 31 S C 0.663 175.268 174.600 0.009 0.000 1.375 31 S CA 0.387 58.590 58.200 0.005 0.000 0.996 31 S CB 1.048 64.233 63.200 -0.025 0.000 0.892 31 S HN 0.265 nan 8.310 nan 0.000 0.562 32 V N -0.554 119.398 119.914 0.064 0.000 3.440 32 V HA 0.736 4.858 4.120 0.003 0.000 0.301 32 V C -0.114 176.022 176.094 0.071 0.000 1.555 32 V CA 0.187 62.513 62.300 0.043 0.000 1.095 32 V CB -0.203 31.636 31.823 0.025 0.000 0.936 32 V HN 0.900 nan 8.190 nan 0.000 0.452 33 A N 0.622 123.517 122.820 0.124 0.000 2.335 33 A HA 0.858 5.180 4.320 0.003 0.000 0.304 33 A C 0.517 178.224 177.584 0.205 0.000 1.118 33 A CA -0.502 51.614 52.037 0.132 0.000 0.757 33 A CB 1.883 20.940 19.000 0.096 0.000 1.188 33 A HN 0.084 nan 8.150 nan 0.000 0.460 34 K N 1.429 121.915 120.400 0.143 0.000 2.062 34 K HA 0.151 4.473 4.320 0.003 0.000 0.205 34 K C 0.439 177.036 176.600 -0.005 0.000 1.051 34 K CA 0.836 57.192 56.287 0.116 0.000 0.941 34 K CB -0.513 32.053 32.500 0.110 0.000 0.719 34 K HN 0.815 nan 8.250 nan 0.000 0.440 35 I N 1.317 121.914 120.570 0.045 0.000 7.277 35 I HA -0.389 3.783 4.170 0.003 0.000 0.126 35 I C 0.606 176.726 176.117 0.004 0.000 1.720 35 I CA 0.218 61.534 61.300 0.028 0.000 2.268 35 I CB -0.605 37.374 38.000 -0.035 0.000 3.404 35 I HN 0.219 nan 8.210 nan 0.000 0.234 36 R N 1.708 122.267 120.500 0.098 0.000 2.195 36 R HA 0.251 4.593 4.340 0.003 0.000 0.197 36 R C 0.314 176.527 176.300 -0.144 0.000 0.990 36 R CA 0.583 56.643 56.100 -0.068 0.000 1.048 36 R CB 0.298 30.495 30.300 -0.171 0.000 0.997 36 R HN 0.249 nan 8.270 nan 0.000 0.502 37 F N 1.143 121.075 119.950 -0.030 0.000 2.377 37 F HA 0.294 4.823 4.527 0.003 0.000 0.328 37 F C -1.327 174.461 175.800 -0.021 0.000 1.094 37 F CA -2.747 55.240 58.000 -0.021 0.000 1.093 37 F CB 0.668 39.660 39.000 -0.014 0.000 1.214 37 F HN -0.167 nan 8.300 nan 0.000 0.518 38 P HA 0.067 nan 4.420 nan 0.000 0.252 38 P C -0.331 177.024 177.300 0.091 0.000 1.211 38 P CA 0.391 63.544 63.100 0.088 0.000 0.824 38 P CB 0.527 32.255 31.700 0.048 0.000 1.077 39 E N -0.107 120.161 120.200 0.113 0.000 2.435 39 E HA 0.070 4.422 4.350 0.003 0.000 0.256 39 E C 0.719 177.355 176.600 0.059 0.000 1.245 39 E CA 0.359 56.804 56.400 0.076 0.000 0.989 39 E CB 0.271 30.012 29.700 0.067 0.000 0.983 39 E HN -0.031 nan 8.360 nan 0.000 0.480 40 T N -0.101 114.481 114.554 0.047 0.000 3.031 40 T HA 0.076 4.428 4.350 0.003 0.000 0.236 40 T C 1.301 176.003 174.700 0.002 0.000 1.005 40 T CA 0.796 62.918 62.100 0.037 0.000 1.230 40 T CB 0.146 69.049 68.868 0.057 0.000 0.913 40 T HN 0.386 nan 8.240 nan 0.000 0.419 41 M N -0.239 119.360 119.600 -0.002 0.000 2.337 41 M HA 0.336 4.818 4.480 0.003 0.000 0.277 41 M C -1.046 175.237 176.300 -0.028 0.000 2.156 41 M CA -0.593 54.694 55.300 -0.023 0.000 1.731 41 M CB 0.154 32.745 32.600 -0.015 0.000 1.843 41 M HN -0.207 nan 8.290 nan 0.000 0.885 42 D N 3.823 124.214 120.400 -0.016 0.000 4.554 42 D HA -0.134 4.508 4.640 0.003 0.000 0.185 42 D C -0.719 175.565 176.300 -0.028 0.000 1.202 42 D CA 0.879 54.870 54.000 -0.014 0.000 0.870 42 D CB -0.430 40.370 40.800 -0.000 0.000 1.028 42 D HN 0.451 nan 8.370 nan 0.000 0.550 43 E N 0.719 120.896 120.200 -0.039 0.000 2.860 43 E HA 0.054 4.405 4.350 0.003 0.000 0.318 43 E C 0.129 176.710 176.600 -0.031 0.000 1.481 43 E CA -0.020 56.349 56.400 -0.052 0.000 1.613 43 E CB -0.228 29.438 29.700 -0.056 0.000 1.279 43 E HN 0.280 nan 8.360 nan 0.000 0.489 44 T N 1.001 115.543 114.554 -0.021 0.000 4.338 44 T HA -0.199 4.153 4.350 0.003 0.000 0.345 44 T C 0.567 175.263 174.700 -0.007 0.000 0.755 44 T CA 0.614 62.708 62.100 -0.009 0.000 1.995 44 T CB -1.550 67.312 68.868 -0.009 0.000 1.873 44 T HN 0.695 nan 8.240 nan 0.000 0.944 45 Q N -2.283 117.514 119.800 -0.005 0.000 2.604 45 Q HA -0.201 4.141 4.340 0.003 0.000 0.160 45 Q C 0.396 176.394 176.000 -0.004 0.000 1.724 45 Q CA 2.013 57.816 55.803 -0.001 0.000 1.083 45 Q CB -1.803 26.936 28.738 0.002 0.000 1.016 45 Q HN 0.754 nan 8.270 nan 0.000 0.939 46 T N 2.663 117.212 114.554 -0.009 0.000 2.866 46 T HA 0.081 4.433 4.350 0.003 0.000 0.293 46 T C 0.267 174.959 174.700 -0.014 0.000 1.005 46 T CA 0.340 62.433 62.100 -0.011 0.000 1.162 46 T CB 0.238 69.096 68.868 -0.016 0.000 0.968 46 T HN 0.116 nan 8.240 nan 0.000 0.530 47 R N 2.099 122.593 120.500 -0.011 0.000 2.438 47 R HA 0.581 4.922 4.340 0.003 0.000 0.287 47 R C 0.535 176.824 176.300 -0.018 0.000 1.077 47 R CA -0.203 55.890 56.100 -0.012 0.000 1.034 47 R CB 0.636 30.932 30.300 -0.007 0.000 0.993 47 R HN 0.829 nan 8.270 nan 0.000 0.459 48 A N 2.130 124.937 122.820 -0.021 0.000 4.089 48 A HA 0.207 4.529 4.320 0.003 0.000 0.106 48 A C -1.507 176.059 177.584 -0.031 0.000 1.267 48 A CA -0.769 51.252 52.037 -0.026 0.000 1.347 48 A CB 0.458 19.440 19.000 -0.030 0.000 1.425 48 A HN 0.543 nan 8.150 nan 0.000 0.665 49 K N -0.137 120.238 120.400 -0.042 0.000 2.557 49 K HA 0.657 4.979 4.320 0.003 0.000 0.261 49 K C -1.429 175.124 176.600 -0.078 0.000 0.932 49 K CA -0.437 55.820 56.287 -0.050 0.000 0.829 49 K CB 2.217 34.694 32.500 -0.039 0.000 1.358 49 K HN 0.567 nan 8.250 nan 0.000 0.430 50 I N 0.867 121.371 120.570 -0.110 0.000 2.532 50 I HA 0.162 4.333 4.170 0.003 0.000 0.292 50 I C 1.372 177.376 176.117 -0.188 0.000 1.014 50 I CA -0.364 60.821 61.300 -0.191 0.000 1.340 50 I CB 1.198 39.014 38.000 -0.305 0.000 1.422 50 I HN 0.873 nan 8.210 nan 0.000 0.528 51 G N 3.759 112.434 108.800 -0.209 0.000 3.266 51 G HA2 0.197 4.159 3.960 0.003 0.000 0.238 51 G HA3 0.197 4.159 3.960 0.003 0.000 0.238 51 G C 0.703 175.529 174.900 -0.123 0.000 1.076 51 G CA 0.407 45.432 45.100 -0.125 0.000 1.804 51 G HN 0.960 nan 8.290 nan 0.000 0.600 52 G N -0.297 108.421 108.800 -0.136 0.000 2.534 52 G HA2 0.415 4.377 3.960 0.003 0.000 0.220 52 G HA3 0.415 4.377 3.960 0.003 0.000 0.220 52 G C 0.199 175.149 174.900 0.083 0.000 1.699 52 G CA -0.278 44.845 45.100 0.040 0.000 0.769 52 G HN 0.408 nan 8.290 nan 0.000 0.632 53 L N 0.906 122.153 121.223 0.041 0.000 2.313 53 L HA 0.402 4.744 4.340 0.003 0.000 0.268 53 L C -0.523 176.348 176.870 0.001 0.000 1.010 53 L CA -0.678 54.178 54.840 0.027 0.000 0.814 53 L CB 1.545 43.625 42.059 0.034 0.000 1.304 53 L HN 0.710 nan 8.230 nan 0.000 0.441 54 N N 1.629 120.324 118.700 -0.009 0.000 2.726 54 N HA -0.260 4.482 4.740 0.003 0.000 0.307 54 N C -0.413 175.089 175.510 -0.014 0.000 1.207 54 N CA 1.354 54.393 53.050 -0.018 0.000 0.728 54 N CB -0.693 37.777 38.487 -0.028 0.000 1.017 54 N HN 0.823 nan 8.380 nan 0.000 0.559 55 D N -0.872 119.525 120.400 -0.006 0.000 3.126 55 D HA -0.070 4.572 4.640 0.003 0.000 0.208 55 D C -2.215 174.082 176.300 -0.004 0.000 1.047 55 D CA 0.340 54.339 54.000 -0.001 0.000 0.895 55 D CB -1.068 39.727 40.800 -0.009 0.000 1.063 55 D HN 0.550 nan 8.370 nan 0.000 0.449 56 P HA 0.214 nan 4.420 nan 0.000 0.252 56 P C 0.125 177.431 177.300 0.011 0.000 1.265 56 P CA 0.640 63.743 63.100 0.005 0.000 0.775 56 P CB 0.274 31.993 31.700 0.031 0.000 1.128 57 R N -4.619 115.889 120.500 0.012 0.000 1.920 57 R HA 0.005 4.347 4.340 0.003 0.000 0.327 57 R C 0.430 176.752 176.300 0.037 0.000 0.345 57 R CA -0.123 55.982 56.100 0.009 0.000 1.282 57 R CB -1.350 28.948 30.300 -0.003 0.000 1.636 57 R HN 0.127 nan 8.270 nan 0.000 0.396 58 L N 0.258 121.515 121.223 0.057 0.000 2.341 58 L HA 0.217 4.559 4.340 0.003 0.000 0.185 58 L C 1.945 178.891 176.870 0.127 0.000 1.091 58 L CA 0.677 55.580 54.840 0.105 0.000 0.899 58 L CB -0.355 41.730 42.059 0.044 0.000 1.357 58 L HN 0.184 nan 8.230 nan 0.000 0.535 59 G N -0.727 108.145 108.800 0.121 0.000 2.379 59 G HA2 0.253 4.215 3.960 0.003 0.000 0.287 59 G HA3 0.253 4.215 3.960 0.003 0.000 0.287 59 G C 0.060 174.987 174.900 0.045 0.000 1.422 59 G CA 0.473 45.631 45.100 0.096 0.000 1.081 59 G HN 0.802 nan 8.290 nan 0.000 0.569 60 S N -2.449 113.262 115.700 0.019 0.000 2.929 60 S HA 0.747 5.219 4.470 0.003 0.000 0.311 60 S C -0.198 174.393 174.600 -0.015 0.000 1.213 60 S CA -0.375 57.825 58.200 0.001 0.000 0.908 60 S CB 1.044 64.247 63.200 0.006 0.000 1.287 60 S HN 0.642 nan 8.310 nan 0.000 0.594 61 I N -1.221 119.338 120.570 -0.019 0.000 4.380 61 I HA 0.410 4.582 4.170 0.003 0.000 0.219 61 I C -0.544 175.557 176.117 -0.026 0.000 0.844 61 I CA -0.825 60.457 61.300 -0.029 0.000 1.753 61 I CB -0.061 37.915 38.000 -0.039 0.000 1.103 61 I HN 0.696 nan 8.210 nan 0.000 0.372 62 D N 2.322 122.703 120.400 -0.030 0.000 2.846 62 D HA -0.215 4.427 4.640 0.003 0.000 0.223 62 D C -0.144 176.143 176.300 -0.021 0.000 1.171 62 D CA 0.999 54.983 54.000 -0.026 0.000 0.627 62 D CB -0.384 40.403 40.800 -0.022 0.000 1.052 62 D HN 0.426 nan 8.370 nan 0.000 0.415 63 R N -0.789 119.699 120.500 -0.021 0.000 3.158 63 R HA -0.203 4.139 4.340 0.003 0.000 0.244 63 R C -0.699 175.594 176.300 -0.012 0.000 0.900 63 R CA 0.551 56.642 56.100 -0.016 0.000 0.618 63 R CB -1.458 28.833 30.300 -0.016 0.000 1.061 63 R HN 0.228 nan 8.270 nan 0.000 0.471 64 N N 1.100 119.794 118.700 -0.010 0.000 2.504 64 N HA 0.206 4.948 4.740 0.003 0.000 0.280 64 N C 1.367 176.874 175.510 -0.004 0.000 1.052 64 N CA -0.566 52.479 53.050 -0.008 0.000 0.887 64 N CB 1.211 39.692 38.487 -0.010 0.000 1.323 64 N HN 0.028 nan 8.380 nan 0.000 0.509 65 L N 1.495 122.716 121.223 -0.003 0.000 2.229 65 L HA -0.341 4.000 4.340 0.003 0.000 0.250 65 L C 0.550 177.422 176.870 0.004 0.000 1.110 65 L CA 1.616 56.456 54.840 -0.000 0.000 0.838 65 L CB -0.746 41.312 42.059 -0.003 0.000 0.962 65 L HN 0.532 nan 8.230 nan 0.000 0.437 66 K N -0.372 120.028 120.400 -0.001 0.000 2.371 66 K HA -0.239 4.083 4.320 0.003 0.000 0.242 66 K C -0.218 176.387 176.600 0.009 0.000 1.060 66 K CA 0.546 56.832 56.287 -0.002 0.000 1.136 66 K CB -0.457 32.039 32.500 -0.007 0.000 0.721 66 K HN 0.465 nan 8.250 nan 0.000 0.481 67 c N 3.621 122.226 118.600 0.009 0.000 3.177 67 c HA 0.109 4.681 4.570 0.003 0.000 0.264 67 c C -0.546 173.515 174.090 -0.048 0.000 2.151 67 c CA -0.237 56.114 56.329 0.036 0.000 1.254 67 c CB -0.891 41.680 42.510 0.102 0.000 2.264 67 c HN 1.035 nan 8.230 nan 0.000 0.571 68 Q N 0.177 119.944 119.800 -0.055 0.000 2.434 68 Q HA -0.161 4.181 4.340 0.003 0.000 0.288 68 Q C 0.889 176.846 176.000 -0.072 0.000 1.372 68 Q CA 0.750 56.501 55.803 -0.086 0.000 0.731 68 Q CB -1.761 26.872 28.738 -0.175 0.000 1.126 68 Q HN 0.761 nan 8.270 nan 0.000 0.398 69 T N -3.022 111.507 114.554 -0.042 0.000 10.235 69 T HA -0.416 3.936 4.350 0.003 0.000 0.395 69 T C 1.358 176.041 174.700 -0.028 0.000 1.613 69 T CA 1.756 63.838 62.100 -0.031 0.000 2.565 69 T CB -1.821 67.028 68.868 -0.032 0.000 2.818 69 T HN 0.903 nan 8.240 nan 0.000 1.101 70 C N 3.125 122.401 119.300 -0.041 0.000 2.370 70 C HA -0.145 4.317 4.460 0.003 0.000 0.311 70 C C 2.071 177.064 174.990 0.006 0.000 1.407 70 C CA 1.676 60.681 59.018 -0.022 0.000 1.807 70 C CB -2.118 25.605 27.740 -0.028 0.000 1.782 70 C HN 0.892 nan 8.230 nan 0.000 0.565 71 Q N -0.342 119.459 119.800 0.002 0.000 2.271 71 Q HA -0.426 3.916 4.340 0.003 0.000 0.460 71 Q C 0.889 176.898 176.000 0.015 0.000 0.708 71 Q CA 2.167 57.973 55.803 0.006 0.000 0.880 71 Q CB -1.224 27.513 28.738 -0.002 0.000 3.274 71 Q HN 0.531 nan 8.270 nan 0.000 0.942 72 E N -1.246 118.959 120.200 0.008 0.000 5.150 72 E HA -0.295 4.057 4.350 0.003 0.000 0.167 72 E C 0.861 177.466 176.600 0.008 0.000 1.196 72 E CA 2.668 59.074 56.400 0.009 0.000 2.189 72 E CB -2.042 27.668 29.700 0.017 0.000 1.820 72 E HN 1.758 nan 8.360 nan 0.000 0.420 73 G N 0.609 109.417 108.800 0.014 0.000 2.757 73 G HA2 -0.233 3.729 3.960 0.003 0.000 0.686 73 G HA3 -0.233 3.729 3.960 0.003 0.000 0.686 73 G C 0.853 175.756 174.900 0.005 0.000 1.452 73 G CA 0.984 46.089 45.100 0.009 0.000 0.922 73 G HN 0.212 nan 8.290 nan 0.000 0.588 74 M N 0.150 119.750 119.600 0.001 0.000 3.572 74 M HA -0.360 4.122 4.480 0.003 0.000 0.287 74 M C 1.498 177.793 176.300 -0.009 0.000 0.611 74 M CA 2.618 57.913 55.300 -0.007 0.000 0.860 74 M CB -0.845 31.746 32.600 -0.014 0.000 1.656 74 M HN 0.801 nan 8.290 nan 0.000 0.567 75 N N 1.094 119.788 118.700 -0.010 0.000 2.415 75 N HA 0.122 4.863 4.740 0.003 0.000 0.250 75 N C 0.004 175.510 175.510 -0.006 0.000 1.127 75 N CA 0.977 54.021 53.050 -0.011 0.000 0.945 75 N CB 0.885 39.365 38.487 -0.013 0.000 1.196 75 N HN 0.486 nan 8.380 nan 0.000 0.499 76 E N 1.983 122.179 120.200 -0.005 0.000 4.516 76 E HA -0.143 4.209 4.350 0.003 0.000 0.388 76 E C -1.189 175.417 176.600 0.010 0.000 0.576 76 E CA 0.158 56.559 56.400 0.000 0.000 1.574 76 E CB -1.728 27.974 29.700 0.003 0.000 1.929 76 E HN 0.409 nan 8.360 nan 0.000 0.302 77 c N 2.358 120.960 118.600 0.005 0.000 2.751 77 c HA 0.530 5.102 4.570 0.003 0.000 0.248 77 c C -1.890 172.149 174.090 -0.084 0.000 1.710 77 c CA -0.932 55.410 56.329 0.021 0.000 1.676 77 c CB -1.013 41.546 42.510 0.081 0.000 3.106 77 c HN 0.431 nan 8.230 nan 0.000 0.502 78 P HA -0.097 nan 4.420 nan 0.000 0.281 78 P C 0.630 177.753 177.300 -0.294 0.000 1.347 78 P CA 1.095 64.108 63.100 -0.147 0.000 0.943 78 P CB 0.361 31.989 31.700 -0.120 0.000 0.740 79 G N -0.015 108.672 108.800 -0.188 0.000 2.684 79 G HA2 0.219 4.181 3.960 0.003 0.000 0.255 79 G HA3 0.219 4.181 3.960 0.003 0.000 0.255 79 G C -0.430 174.250 174.900 -0.366 0.000 1.219 79 G CA -0.329 44.645 45.100 -0.210 0.000 0.901 79 G HN 0.669 nan 8.290 nan 0.000 0.548 80 H N 0.291 119.424 119.070 0.106 0.000 2.887 80 H HA 0.217 4.775 4.556 0.003 0.000 0.300 80 H C -0.390 175.050 175.328 0.186 0.000 1.038 80 H CA -0.777 55.361 56.048 0.150 0.000 1.352 80 H CB 0.661 30.471 29.762 0.080 0.000 1.473 80 H HN 0.226 nan 8.280 nan 0.000 0.503 81 F N 1.503 121.499 119.950 0.077 0.000 2.647 81 F HA 0.107 4.635 4.527 0.003 0.000 0.363 81 F C 1.562 177.394 175.800 0.054 0.000 1.130 81 F CA 1.139 59.167 58.000 0.047 0.000 1.351 81 F CB 0.531 39.538 39.000 0.012 0.000 1.026 81 F HN 0.535 nan 8.300 nan 0.000 0.607 82 G N 1.102 109.964 108.800 0.103 0.000 2.600 82 G HA2 0.616 4.578 3.960 0.003 0.000 0.303 82 G HA3 0.616 4.578 3.960 0.003 0.000 0.303 82 G C -1.660 173.343 174.900 0.171 0.000 1.253 82 G CA -0.713 44.459 45.100 0.121 0.000 0.974 82 G HN 0.899 nan 8.290 nan 0.000 0.483 83 H N -2.096 116.977 119.070 0.005 0.000 2.949 83 H HA 0.795 5.353 4.556 0.003 0.000 0.356 83 H C -1.454 173.866 175.328 -0.013 0.000 1.212 83 H CA -1.239 54.802 56.048 -0.011 0.000 1.136 83 H CB 2.572 32.321 29.762 -0.021 0.000 1.869 83 H HN 0.553 nan 8.280 nan 0.000 0.556 84 I N 2.486 122.849 120.570 -0.345 0.000 2.598 84 I HA 0.077 4.249 4.170 0.003 0.000 0.277 84 I C -1.258 174.721 176.117 -0.229 0.000 1.179 84 I CA -0.597 60.476 61.300 -0.379 0.000 1.081 84 I CB 0.998 38.883 38.000 -0.192 0.000 1.272 84 I HN 0.748 nan 8.210 nan 0.000 0.471 85 D N 8.044 128.292 120.400 -0.254 0.000 2.570 85 D HA 0.047 4.689 4.640 0.003 0.000 0.243 85 D C 0.511 176.786 176.300 -0.043 0.000 1.171 85 D CA 0.580 54.541 54.000 -0.065 0.000 0.879 85 D CB 1.102 41.887 40.800 -0.024 0.000 1.143 85 D HN 0.429 nan 8.370 nan 0.000 0.511 86 L N 1.170 122.390 121.223 -0.005 0.000 2.464 86 L HA 0.136 4.478 4.340 0.003 0.000 0.224 86 L C 1.753 178.630 176.870 0.012 0.000 1.219 86 L CA -0.354 54.488 54.840 0.003 0.000 0.831 86 L CB 0.256 42.330 42.059 0.025 0.000 1.284 86 L HN 0.443 nan 8.230 nan 0.000 0.522 87 A N -0.153 122.676 122.820 0.016 0.000 1.942 87 A HA 0.190 4.512 4.320 0.003 0.000 0.209 87 A C 0.651 178.252 177.584 0.028 0.000 1.214 87 A CA 0.706 52.756 52.037 0.021 0.000 0.686 87 A CB 0.302 19.310 19.000 0.014 0.000 0.871 87 A HN 0.640 nan 8.150 nan 0.000 0.460 88 K N 0.142 120.561 120.400 0.032 0.000 2.523 88 K HA 0.369 4.691 4.320 0.003 0.000 0.257 88 K C -3.072 173.561 176.600 0.055 0.000 0.932 88 K CA -2.252 54.059 56.287 0.040 0.000 0.812 88 K CB 2.430 34.949 32.500 0.031 0.000 1.326 88 K HN 0.011 nan 8.250 nan 0.000 0.433 89 P HA -0.070 nan 4.420 nan 0.000 0.263 89 P C -0.591 176.782 177.300 0.122 0.000 1.168 89 P CA 0.041 63.197 63.100 0.095 0.000 0.759 89 P CB 0.498 32.255 31.700 0.096 0.000 0.782 90 V N 3.377 123.384 119.914 0.155 0.000 3.001 90 V HA 0.390 4.512 4.120 0.003 0.000 0.314 90 V C 0.421 176.733 176.094 0.363 0.000 1.099 90 V CA -0.732 61.692 62.300 0.205 0.000 0.989 90 V CB 1.461 33.371 31.823 0.144 0.000 1.040 90 V HN 0.308 nan 8.190 nan 0.000 0.434 91 F N 0.833 120.820 119.950 0.061 0.000 2.399 91 F HA 0.347 4.876 4.527 0.003 0.000 0.313 91 F C 0.807 176.682 175.800 0.124 0.000 1.202 91 F CA -0.606 57.442 58.000 0.080 0.000 1.192 91 F CB 0.169 39.211 39.000 0.070 0.000 1.256 91 F HN 0.556 nan 8.300 nan 0.000 0.558 92 H N 1.347 120.470 119.070 0.088 0.000 2.486 92 H HA 0.336 4.894 4.556 0.003 0.000 0.239 92 H C 0.832 176.089 175.328 -0.119 0.000 1.480 92 H CA -0.509 55.495 56.048 -0.074 0.000 1.324 92 H CB 0.368 29.988 29.762 -0.236 0.000 1.486 92 H HN 0.479 nan 8.280 nan 0.000 0.544 93 V N 2.318 122.266 119.914 0.057 0.000 2.404 93 V HA -0.435 3.687 4.120 0.003 0.000 0.247 93 V C 2.186 178.200 176.094 -0.133 0.000 1.126 93 V CA 2.323 64.614 62.300 -0.015 0.000 1.096 93 V CB -1.395 30.430 31.823 0.003 0.000 0.919 93 V HN 0.775 nan 8.190 nan 0.000 0.464 94 G N -2.297 106.208 108.800 -0.492 0.000 2.603 94 G HA2 0.106 4.068 3.960 0.003 0.000 0.214 94 G HA3 0.106 4.068 3.960 0.003 0.000 0.214 94 G C 1.301 176.084 174.900 -0.195 0.000 1.140 94 G CA 0.492 45.367 45.100 -0.375 0.000 0.800 94 G HN 0.569 nan 8.290 nan 0.000 0.533 95 F N 0.402 120.069 119.950 -0.472 0.000 2.569 95 F HA 0.183 4.712 4.527 0.003 0.000 0.295 95 F C 2.415 178.121 175.800 -0.156 0.000 1.115 95 F CA -0.442 57.398 58.000 -0.266 0.000 1.450 95 F CB 0.062 38.943 39.000 -0.198 0.000 1.107 95 F HN 0.033 nan 8.300 nan 0.000 0.563 96 I N 0.924 121.535 120.570 0.069 0.000 2.121 96 I HA -0.463 3.709 4.170 0.003 0.000 0.243 96 I C 2.784 178.944 176.117 0.072 0.000 1.047 96 I CA 1.541 62.878 61.300 0.063 0.000 1.308 96 I CB -0.844 37.275 38.000 0.199 0.000 1.015 96 I HN 0.118 nan 8.210 nan 0.000 0.410 97 A N 0.012 122.879 122.820 0.078 0.000 1.971 97 A HA -0.311 4.011 4.320 0.003 0.000 0.222 97 A C 2.371 179.985 177.584 0.050 0.000 1.182 97 A CA 2.344 54.418 52.037 0.062 0.000 0.649 97 A CB -0.537 18.487 19.000 0.041 0.000 0.818 97 A HN 0.447 nan 8.150 nan 0.000 0.458 98 K N -1.054 119.364 120.400 0.031 0.000 2.078 98 K HA 0.183 4.505 4.320 0.003 0.000 0.203 98 K C 1.879 178.551 176.600 0.119 0.000 1.043 98 K CA 0.745 57.054 56.287 0.037 0.000 0.960 98 K CB -0.233 32.207 32.500 -0.100 0.000 0.761 98 K HN 0.469 nan 8.250 nan 0.000 0.448 99 I N 2.100 122.694 120.570 0.040 0.000 2.182 99 I HA -0.434 3.738 4.170 0.003 0.000 0.248 99 I C 2.567 178.795 176.117 0.184 0.000 1.073 99 I CA 1.504 62.819 61.300 0.025 0.000 1.335 99 I CB -0.429 37.342 38.000 -0.383 0.000 1.031 99 I HN 0.297 nan 8.210 nan 0.000 0.420 100 K N 1.865 122.358 120.400 0.155 0.000 1.964 100 K HA -0.212 4.110 4.320 0.003 0.000 0.218 100 K C 2.017 178.786 176.600 0.281 0.000 1.043 100 K CA 1.592 58.009 56.287 0.216 0.000 0.966 100 K CB -0.251 32.367 32.500 0.196 0.000 0.739 100 K HN 0.146 nan 8.250 nan 0.000 0.443 101 K N 0.419 120.995 120.400 0.294 0.000 2.259 101 K HA -0.191 4.131 4.320 0.003 0.000 0.206 101 K C 1.984 178.865 176.600 0.469 0.000 1.044 101 K CA 1.767 58.307 56.287 0.422 0.000 0.931 101 K CB -0.211 32.349 32.500 0.100 0.000 0.726 101 K HN 0.108 nan 8.250 nan 0.000 0.467 102 V N 0.374 120.527 119.914 0.398 0.000 2.323 102 V HA -0.274 3.848 4.120 0.003 0.000 0.244 102 V C 2.437 178.633 176.094 0.171 0.000 1.041 102 V CA 1.557 64.047 62.300 0.317 0.000 1.025 102 V CB -0.482 31.497 31.823 0.261 0.000 0.656 102 V HN 0.422 nan 8.190 nan 0.000 0.451 103 C N 0.277 119.714 119.300 0.228 0.000 2.413 103 C HA -0.156 4.306 4.460 0.003 0.000 0.276 103 C C 2.592 177.648 174.990 0.110 0.000 1.248 103 C CA 0.949 60.062 59.018 0.159 0.000 1.742 103 C CB -1.120 26.761 27.740 0.235 0.000 2.017 103 C HN 0.610 nan 8.230 nan 0.000 0.481 104 E N -1.064 119.225 120.200 0.148 0.000 2.463 104 E HA -0.177 4.175 4.350 0.003 0.000 0.201 104 E C 1.826 178.433 176.600 0.013 0.000 1.045 104 E CA 0.717 57.156 56.400 0.065 0.000 0.872 104 E CB -0.123 29.633 29.700 0.093 0.000 0.797 104 E HN 0.675 nan 8.360 nan 0.000 0.538 105 C N 0.223 119.572 119.300 0.081 0.000 2.674 105 C HA 0.182 4.644 4.460 0.003 0.000 0.276 105 C C 0.650 175.643 174.990 0.004 0.000 1.300 105 C CA -0.237 58.808 59.018 0.045 0.000 1.732 105 C CB 0.304 28.123 27.740 0.133 0.000 2.076 105 C HN -0.010 nan 8.230 nan 0.000 0.548 106 V N -0.588 119.320 119.914 -0.009 0.000 2.925 106 V HA 0.383 4.505 4.120 0.003 0.000 0.311 106 V C -0.630 175.458 176.094 -0.010 0.000 1.104 106 V CA -0.771 61.507 62.300 -0.035 0.000 0.954 106 V CB 1.550 33.311 31.823 -0.104 0.000 1.022 106 V HN 0.275 nan 8.190 nan 0.000 0.427 107 C N 5.936 125.241 119.300 0.008 0.000 2.366 107 C HA 0.679 5.141 4.460 0.003 0.000 0.345 107 C C 0.683 175.694 174.990 0.034 0.000 1.209 107 C CA -0.743 58.303 59.018 0.047 0.000 2.050 107 C CB 0.697 28.488 27.740 0.085 0.000 2.359 107 C HN 0.839 nan 8.230 nan 0.000 0.527 108 M N 4.119 123.727 119.600 0.014 0.000 1.782 108 M HA 0.263 4.745 4.480 0.003 0.000 0.199 108 M C 1.409 177.637 176.300 -0.121 0.000 1.314 108 M CA 0.750 55.975 55.300 -0.125 0.000 0.877 108 M CB -0.870 31.552 32.600 -0.296 0.000 1.222 108 M HN 0.925 nan 8.290 nan 0.000 0.419 109 H N -1.100 118.002 119.070 0.054 0.000 4.836 109 H HA -0.212 4.346 4.556 0.003 0.000 0.067 109 H C 1.485 176.793 175.328 -0.034 0.000 0.594 109 H CA 2.354 58.409 56.048 0.010 0.000 0.978 109 H CB -1.593 28.172 29.762 0.005 0.000 0.436 109 H HN 0.883 nan 8.280 nan 0.000 0.790 110 C N 1.999 121.348 119.300 0.081 0.000 3.228 110 C HA 0.679 5.141 4.460 0.003 0.000 0.290 110 C C 1.450 176.421 174.990 -0.032 0.000 1.301 110 C CA 1.007 60.018 59.018 -0.012 0.000 1.703 110 C CB -0.107 27.634 27.740 0.000 0.000 2.141 110 C HN 1.230 nan 8.230 nan 0.000 0.656 111 G N 2.034 110.830 108.800 -0.007 0.000 2.329 111 G HA2 -0.112 3.850 3.960 0.003 0.000 0.204 111 G HA3 -0.112 3.850 3.960 0.003 0.000 0.204 111 G C -0.569 174.304 174.900 -0.045 0.000 0.435 111 G CA 1.094 46.181 45.100 -0.022 0.000 0.977 111 G HN 1.114 nan 8.290 nan 0.000 0.366 112 K N 1.630 122.003 120.400 -0.046 0.000 2.642 112 K HA 0.446 4.768 4.320 0.003 0.000 0.290 112 K C 0.643 177.220 176.600 -0.038 0.000 1.006 112 K CA -1.259 54.997 56.287 -0.051 0.000 0.869 112 K CB 0.996 33.474 32.500 -0.037 0.000 1.499 112 K HN 0.341 nan 8.250 nan 0.000 0.403 113 L N 2.207 123.409 121.223 -0.035 0.000 2.477 113 L HA -0.083 4.259 4.340 0.003 0.000 0.289 113 L C 0.709 177.573 176.870 -0.009 0.000 1.279 113 L CA 0.580 55.408 54.840 -0.019 0.000 0.825 113 L CB 0.095 42.147 42.059 -0.012 0.000 1.085 113 L HN 0.556 nan 8.230 nan 0.000 0.548 114 L N 2.496 123.714 121.223 -0.008 0.000 3.168 114 L HA 0.415 4.757 4.340 0.003 0.000 0.277 114 L C -0.687 176.181 176.870 -0.003 0.000 1.245 114 L CA -0.016 54.820 54.840 -0.006 0.000 1.035 114 L CB 0.096 42.144 42.059 -0.017 0.000 1.399 114 L HN 0.364 nan 8.230 nan 0.000 0.580 115 L N 0.080 121.305 121.223 0.004 0.000 2.905 115 L HA 0.356 4.698 4.340 0.003 0.000 0.260 115 L C -1.491 175.387 176.870 0.013 0.000 0.933 115 L CA -0.317 54.529 54.840 0.012 0.000 1.034 115 L CB 2.491 44.548 42.059 -0.004 0.000 1.550 115 L HN -0.015 nan 8.230 nan 0.000 0.480 116 D N 1.317 121.736 120.400 0.033 0.000 2.442 116 D HA 0.229 4.871 4.640 0.003 0.000 0.254 116 D C 0.588 176.838 176.300 -0.082 0.000 1.069 116 D CA -0.527 53.461 54.000 -0.020 0.000 1.017 116 D CB 1.850 42.655 40.800 0.008 0.000 1.172 116 D HN 0.486 nan 8.370 nan 0.000 0.561 117 E N -0.187 119.899 120.200 -0.189 0.000 2.271 117 E HA -0.271 4.081 4.350 0.003 0.000 0.209 117 E C 1.644 178.147 176.600 -0.161 0.000 1.046 117 E CA 1.552 57.835 56.400 -0.194 0.000 0.840 117 E CB -0.218 29.326 29.700 -0.260 0.000 0.738 117 E HN 0.410 nan 8.360 nan 0.000 0.470 118 H N 0.250 119.317 119.070 -0.005 0.000 2.265 118 H HA -0.108 4.450 4.556 0.003 0.000 0.293 118 H C 1.119 176.443 175.328 -0.007 0.000 1.089 118 H CA 1.258 57.302 56.048 -0.006 0.000 1.244 118 H CB -0.813 28.944 29.762 -0.008 0.000 1.355 118 H HN 0.150 nan 8.280 nan 0.000 0.485 119 N N 1.898 120.664 118.700 0.111 0.000 2.452 119 N HA -0.098 4.644 4.740 0.003 0.000 0.266 119 N C 1.206 176.732 175.510 0.026 0.000 1.209 119 N CA 0.252 53.333 53.050 0.053 0.000 0.929 119 N CB 1.031 39.537 38.487 0.032 0.000 1.063 119 N HN 0.459 nan 8.380 nan 0.000 0.472 120 E N 4.062 124.275 120.200 0.022 0.000 2.031 120 E HA -0.163 4.189 4.350 0.003 0.000 0.193 120 E C 1.547 178.151 176.600 0.006 0.000 0.994 120 E CA 0.992 57.399 56.400 0.012 0.000 0.800 120 E CB 0.019 29.727 29.700 0.013 0.000 0.752 120 E HN 0.700 nan 8.360 nan 0.000 0.447 121 L N 0.396 121.622 121.223 0.004 0.000 2.351 121 L HA -0.218 4.124 4.340 0.003 0.000 0.220 121 L C 2.574 179.444 176.870 0.000 0.000 1.127 121 L CA 0.682 55.522 54.840 0.000 0.000 0.786 121 L CB -0.374 41.682 42.059 -0.005 0.000 0.914 121 L HN 0.356 nan 8.230 nan 0.000 0.443 122 M N -0.134 119.466 119.600 0.000 0.000 2.160 122 M HA -0.079 4.403 4.480 0.003 0.000 0.264 122 M C 2.318 178.618 176.300 -0.000 0.000 1.073 122 M CA 1.593 56.892 55.300 -0.001 0.000 1.142 122 M CB -0.191 32.408 32.600 -0.003 0.000 1.358 122 M HN -0.028 nan 8.290 nan 0.000 0.422 123 R N -0.162 120.336 120.500 -0.004 0.000 2.115 123 R HA -0.219 4.122 4.340 0.003 0.000 0.239 123 R C 2.166 178.469 176.300 0.004 0.000 1.133 123 R CA 2.176 58.273 56.100 -0.005 0.000 0.935 123 R CB -1.035 29.260 30.300 -0.007 0.000 0.853 123 R HN 0.555 nan 8.270 nan 0.000 0.433 124 Q N -0.261 119.543 119.800 0.007 0.000 2.389 124 Q HA -0.177 4.165 4.340 0.003 0.000 0.213 124 Q C 1.873 177.883 176.000 0.017 0.000 0.989 124 Q CA 1.378 57.188 55.803 0.011 0.000 0.891 124 Q CB -0.050 28.694 28.738 0.011 0.000 0.923 124 Q HN 0.453 nan 8.270 nan 0.000 0.455 125 A N 0.183 123.014 122.820 0.017 0.000 1.924 125 A HA 0.042 4.363 4.320 0.003 0.000 0.211 125 A C 1.759 179.363 177.584 0.033 0.000 1.198 125 A CA 0.098 52.151 52.037 0.026 0.000 0.657 125 A CB -0.150 18.864 19.000 0.022 0.000 0.852 125 A HN 0.262 nan 8.150 nan 0.000 0.454 126 L N -0.198 121.041 121.223 0.026 0.000 2.700 126 L HA -0.015 4.327 4.340 0.003 0.000 0.240 126 L C 2.194 179.081 176.870 0.029 0.000 1.162 126 L CA 0.505 55.363 54.840 0.030 0.000 0.874 126 L CB -0.207 41.862 42.059 0.016 0.000 1.001 126 L HN 0.470 nan 8.230 nan 0.000 0.447 127 A N -0.591 122.245 122.820 0.028 0.000 2.108 127 A HA 0.258 4.580 4.320 0.003 0.000 0.206 127 A C 1.117 178.720 177.584 0.032 0.000 1.212 127 A CA -0.306 51.746 52.037 0.026 0.000 0.843 127 A CB 0.156 19.168 19.000 0.020 0.000 0.902 127 A HN 0.210 nan 8.150 nan 0.000 0.477 128 I N 2.545 123.137 120.570 0.037 0.000 2.849 128 I HA -0.084 4.088 4.170 0.003 0.000 0.288 128 I C -0.278 175.866 176.117 0.046 0.000 1.156 128 I CA 0.423 61.748 61.300 0.041 0.000 1.394 128 I CB 0.029 38.057 38.000 0.046 0.000 1.462 128 I HN 0.217 nan 8.210 nan 0.000 0.587 129 K N 6.531 126.955 120.400 0.041 0.000 2.237 129 K HA 0.132 4.454 4.320 0.003 0.000 0.283 129 K C -0.382 176.244 176.600 0.044 0.000 1.080 129 K CA 0.122 56.434 56.287 0.042 0.000 0.965 129 K CB 0.146 32.667 32.500 0.035 0.000 1.098 129 K HN 0.443 nan 8.250 nan 0.000 0.434 130 D N 1.472 121.902 120.400 0.050 0.000 2.885 130 D HA -0.078 4.564 4.640 0.003 0.000 0.146 130 D C 0.670 177.004 176.300 0.057 0.000 1.085 130 D CA 0.002 54.030 54.000 0.048 0.000 1.587 130 D CB 0.057 40.884 40.800 0.045 0.000 1.317 130 D HN 0.376 nan 8.370 nan 0.000 0.759 131 S N 1.804 117.532 115.700 0.048 0.000 2.444 131 S HA -0.265 4.207 4.470 0.003 0.000 0.244 131 S C 1.582 176.208 174.600 0.043 0.000 1.025 131 S CA 1.064 59.290 58.200 0.045 0.000 0.995 131 S CB 0.106 63.300 63.200 -0.009 0.000 0.781 131 S HN 0.472 nan 8.310 nan 0.000 0.496 132 K N 0.660 121.078 120.400 0.031 0.000 2.418 132 K HA 0.155 4.477 4.320 0.003 0.000 0.195 132 K C 1.767 178.418 176.600 0.085 0.000 1.035 132 K CA 0.545 56.851 56.287 0.031 0.000 1.003 132 K CB 0.101 32.604 32.500 0.004 0.000 0.793 132 K HN 0.394 nan 8.250 nan 0.000 0.494 133 K N -0.995 119.462 120.400 0.094 0.000 2.474 133 K HA 0.086 4.408 4.320 0.003 0.000 0.202 133 K C 1.587 178.255 176.600 0.114 0.000 1.248 133 K CA -0.172 56.172 56.287 0.094 0.000 0.946 133 K CB 0.436 32.975 32.500 0.064 0.000 1.102 133 K HN -0.080 nan 8.250 nan 0.000 0.541 134 R N 0.483 121.058 120.500 0.125 0.000 2.328 134 R HA -0.064 4.277 4.340 0.003 0.000 0.207 134 R C 1.263 177.678 176.300 0.191 0.000 1.056 134 R CA 0.969 57.146 56.100 0.129 0.000 1.016 134 R CB 0.032 30.405 30.300 0.121 0.000 0.872 134 R HN 0.141 nan 8.270 nan 0.000 0.471 135 F N -0.142 119.841 119.950 0.055 0.000 2.419 135 F HA 0.322 4.851 4.527 0.003 0.000 0.283 135 F C 1.781 177.640 175.800 0.098 0.000 1.044 135 F CA 0.650 58.695 58.000 0.075 0.000 1.376 135 F CB -0.188 38.833 39.000 0.036 0.000 1.131 135 F HN -0.015 nan 8.300 nan 0.000 0.585 136 A N 0.064 122.948 122.820 0.107 0.000 2.263 136 A HA 0.346 4.668 4.320 0.003 0.000 0.205 136 A C 1.670 179.292 177.584 0.064 0.000 1.226 136 A CA 1.142 53.191 52.037 0.019 0.000 0.810 136 A CB -1.346 17.690 19.000 0.061 0.000 0.784 136 A HN 0.480 nan 8.150 nan 0.000 0.486 137 A N -0.198 122.645 122.820 0.038 0.000 2.042 137 A HA 0.306 4.628 4.320 0.003 0.000 0.207 137 A C 1.789 179.384 177.584 0.018 0.000 1.598 137 A CA 0.601 52.665 52.037 0.045 0.000 0.818 137 A CB -0.456 18.572 19.000 0.046 0.000 1.169 137 A HN 0.306 nan 8.150 nan 0.000 0.548 138 I N -1.425 119.139 120.570 -0.011 0.000 2.074 138 I HA -0.365 3.807 4.170 0.003 0.000 0.238 138 I C 2.452 178.539 176.117 -0.049 0.000 1.037 138 I CA 2.325 63.607 61.300 -0.030 0.000 1.301 138 I CB -0.504 37.481 38.000 -0.024 0.000 1.016 138 I HN 0.720 nan 8.210 nan 0.000 0.400 139 W N 1.927 123.011 121.300 -0.360 0.000 2.290 139 W HA -0.322 4.340 4.660 0.003 0.000 0.323 139 W C 2.636 179.045 176.519 -0.182 0.000 1.260 139 W CA 2.709 59.852 57.345 -0.337 0.000 1.266 139 W CB -0.714 28.426 29.460 -0.534 0.000 1.149 139 W HN 0.035 nan 8.180 nan 0.000 0.482 140 T N 1.123 115.708 114.554 0.052 0.000 2.946 140 T HA -0.167 4.185 4.350 0.003 0.000 0.271 140 T C 1.661 176.245 174.700 -0.193 0.000 1.104 140 T CA 1.483 63.514 62.100 -0.116 0.000 1.114 140 T CB -0.312 68.600 68.868 0.072 0.000 0.867 140 T HN 0.214 nan 8.240 nan 0.000 0.513 141 L N -0.453 120.683 121.223 -0.145 0.000 2.554 141 L HA 0.168 4.510 4.340 0.003 0.000 0.225 141 L C 1.538 178.319 176.870 -0.149 0.000 1.104 141 L CA 0.270 55.038 54.840 -0.120 0.000 0.866 141 L CB 0.139 42.160 42.059 -0.064 0.000 1.047 141 L HN 0.349 nan 8.230 nan 0.000 0.468 142 C N -1.151 118.023 119.300 -0.210 0.000 3.403 142 C HA 0.038 4.500 4.460 0.003 0.000 0.317 142 C C 2.404 177.228 174.990 -0.277 0.000 1.346 142 C CA -0.526 58.377 59.018 -0.191 0.000 1.743 142 C CB -0.127 27.535 27.740 -0.131 0.000 2.308 142 C HN 0.475 nan 8.230 nan 0.000 0.675 143 K N 1.545 121.654 120.400 -0.484 0.000 2.209 143 K HA -0.114 4.208 4.320 0.003 0.000 0.204 143 K C 1.414 177.816 176.600 -0.330 0.000 1.048 143 K CA 1.990 57.939 56.287 -0.563 0.000 0.940 143 K CB -0.517 31.363 32.500 -1.033 0.000 0.729 143 K HN 0.328 nan 8.250 nan 0.000 0.451 144 T N 0.792 115.185 114.554 -0.268 0.000 2.852 144 T HA 0.027 4.379 4.350 0.003 0.000 0.256 144 T C 0.276 174.903 174.700 -0.123 0.000 1.038 144 T CA 0.327 62.322 62.100 -0.174 0.000 1.141 144 T CB 0.075 68.856 68.868 -0.146 0.000 0.869 144 T HN 0.081 nan 8.240 nan 0.000 0.439 145 K N 2.290 122.623 120.400 -0.112 0.000 2.437 145 K HA 0.084 4.406 4.320 0.003 0.000 0.277 145 K C 0.016 176.579 176.600 -0.062 0.000 1.073 145 K CA 0.616 56.860 56.287 -0.072 0.000 1.105 145 K CB 0.057 32.521 32.500 -0.060 0.000 0.881 145 K HN 0.416 nan 8.250 nan 0.000 0.475 146 M N 2.538 122.113 119.600 -0.042 0.000 2.876 146 M HA 0.148 4.630 4.480 0.003 0.000 0.367 146 M C -0.864 175.443 176.300 0.011 0.000 1.242 146 M CA -0.266 55.019 55.300 -0.025 0.000 0.889 146 M CB 0.784 33.361 32.600 -0.038 0.000 1.353 146 M HN 0.001 nan 8.290 nan 0.000 0.511 147 V N 0.073 119.995 119.914 0.014 0.000 2.697 147 V HA 0.062 4.184 4.120 0.003 0.000 0.296 147 V C -0.562 175.547 176.094 0.025 0.000 1.140 147 V CA -1.249 61.069 62.300 0.030 0.000 0.921 147 V CB 2.040 33.874 31.823 0.018 0.000 1.036 147 V HN 0.468 nan 8.190 nan 0.000 0.438 148 C N 6.030 125.355 119.300 0.042 0.000 2.894 148 C HA 0.190 4.652 4.460 0.003 0.000 0.430 148 C C 1.069 176.070 174.990 0.018 0.000 1.048 148 C CA -0.289 58.750 59.018 0.034 0.000 1.158 148 C CB -1.894 25.879 27.740 0.055 0.000 1.634 148 C HN 0.877 nan 8.230 nan 0.000 0.565 149 E N 2.842 123.047 120.200 0.008 0.000 2.604 149 E HA -0.058 4.294 4.350 0.003 0.000 0.267 149 E C 1.015 177.612 176.600 -0.006 0.000 0.970 149 E CA 0.534 56.933 56.400 -0.002 0.000 0.956 149 E CB 0.593 30.290 29.700 -0.006 0.000 0.939 149 E HN 0.675 nan 8.360 nan 0.000 0.465 150 T N 1.296 115.841 114.554 -0.015 0.000 3.023 150 T HA 0.033 4.385 4.350 0.003 0.000 0.249 150 T C -0.308 174.370 174.700 -0.037 0.000 1.050 150 T CA 0.236 62.323 62.100 -0.022 0.000 1.088 150 T CB 0.361 69.216 68.868 -0.022 0.000 0.946 150 T HN 0.398 nan 8.240 nan 0.000 0.480 151 D N 0.752 121.125 120.400 -0.044 0.000 2.947 151 D HA 0.532 5.174 4.640 0.003 0.000 0.224 151 D C -1.204 175.054 176.300 -0.070 0.000 1.230 151 D CA -0.260 53.700 54.000 -0.067 0.000 0.871 151 D CB 2.989 43.755 40.800 -0.056 0.000 1.671 151 D HN -0.031 nan 8.370 nan 0.000 0.507 152 V N 1.050 120.899 119.914 -0.108 0.000 3.007 152 V HA 0.465 4.587 4.120 0.003 0.000 0.311 152 V C -2.454 173.580 176.094 -0.100 0.000 1.120 152 V CA -1.817 60.430 62.300 -0.089 0.000 0.980 152 V CB 2.512 34.289 31.823 -0.076 0.000 1.033 152 V HN 0.385 nan 8.190 nan 0.000 0.429 153 P HA 0.138 nan 4.420 nan 0.000 0.273 153 P C 0.331 177.614 177.300 -0.029 0.000 1.319 153 P CA 0.175 63.250 63.100 -0.041 0.000 0.885 153 P CB 0.535 32.221 31.700 -0.022 0.000 1.015 154 S N 3.228 118.904 115.700 -0.040 0.000 2.775 154 S HA -0.093 4.379 4.470 0.003 0.000 0.250 154 S C 1.177 175.794 174.600 0.028 0.000 1.391 154 S CA -0.110 58.092 58.200 0.003 0.000 0.972 154 S CB -0.201 62.997 63.200 -0.003 0.000 0.963 154 S HN 0.462 nan 8.310 nan 0.000 0.570 155 E N 0.940 121.168 120.200 0.046 0.000 2.515 155 E HA -0.025 4.327 4.350 0.003 0.000 0.201 155 E C 0.197 176.808 176.600 0.019 0.000 1.071 155 E CA 0.647 57.068 56.400 0.034 0.000 0.880 155 E CB -0.223 29.499 29.700 0.037 0.000 0.828 155 E HN 0.493 nan 8.360 nan 0.000 0.540 156 D N 0.644 121.051 120.400 0.013 0.000 3.132 156 D HA 0.075 4.716 4.640 0.003 0.000 0.233 156 D C 0.154 176.456 176.300 0.002 0.000 1.216 156 D CA -0.250 53.754 54.000 0.006 0.000 1.227 156 D CB -0.075 40.728 40.800 0.004 0.000 0.930 156 D HN -0.115 nan 8.370 nan 0.000 0.202 157 D N 1.408 121.806 120.400 -0.002 0.000 2.256 157 D HA 0.149 4.791 4.640 0.003 0.000 0.250 157 D C -1.455 174.840 176.300 -0.008 0.000 1.093 157 D CA -1.289 52.708 54.000 -0.005 0.000 0.882 157 D CB 2.056 42.852 40.800 -0.006 0.000 1.185 157 D HN 0.028 nan 8.370 nan 0.000 0.437 158 P HA -0.050 nan 4.420 nan 0.000 0.237 158 P C 0.979 178.272 177.300 -0.013 0.000 1.178 158 P CA 0.554 63.648 63.100 -0.010 0.000 0.766 158 P CB 0.466 32.161 31.700 -0.007 0.000 0.876 159 T N -0.398 114.149 114.554 -0.011 0.000 2.732 159 T HA -0.063 4.289 4.350 0.003 0.000 0.261 159 T C 1.057 175.748 174.700 -0.016 0.000 1.040 159 T CA 0.841 62.934 62.100 -0.012 0.000 1.145 159 T CB -0.447 68.416 68.868 -0.009 0.000 0.866 159 T HN 0.283 nan 8.240 nan 0.000 0.427 160 Q N 1.244 121.034 119.800 -0.016 0.000 2.313 160 Q HA 0.408 4.750 4.340 0.003 0.000 0.266 160 Q C -0.960 175.022 176.000 -0.030 0.000 0.989 160 Q CA 0.102 55.892 55.803 -0.021 0.000 0.890 160 Q CB 0.654 29.381 28.738 -0.018 0.000 1.200 160 Q HN 0.423 nan 8.270 nan 0.000 0.396 161 L N 2.994 124.196 121.223 -0.036 0.000 2.319 161 L HA 0.457 4.799 4.340 0.003 0.000 0.281 161 L C -0.431 176.401 176.870 -0.064 0.000 1.005 161 L CA -0.926 53.884 54.840 -0.050 0.000 0.828 161 L CB 1.409 43.442 42.059 -0.042 0.000 1.227 161 L HN 0.328 nan 8.230 nan 0.000 0.415 162 V N 1.407 121.262 119.914 -0.097 0.000 2.743 162 V HA 0.454 4.576 4.120 0.003 0.000 0.301 162 V C 0.476 176.490 176.094 -0.134 0.000 1.057 162 V CA -0.510 61.717 62.300 -0.121 0.000 1.006 162 V CB 1.734 33.449 31.823 -0.180 0.000 1.024 162 V HN 0.896 nan 8.190 nan 0.000 0.473 163 S N 3.810 119.449 115.700 -0.102 0.000 2.501 163 S HA 0.813 5.285 4.470 0.003 0.000 0.301 163 S C -0.281 174.279 174.600 -0.066 0.000 1.096 163 S CA -0.861 57.292 58.200 -0.078 0.000 1.063 163 S CB 2.318 65.490 63.200 -0.046 0.000 1.042 163 S HN 0.917 nan 8.310 nan 0.000 0.494 164 R N 1.968 122.441 120.500 -0.046 0.000 2.841 164 R HA 0.714 5.056 4.340 0.003 0.000 0.098 164 R C 0.681 176.981 176.300 -0.000 0.000 0.781 164 R CA -0.578 55.522 56.100 -0.001 0.000 0.587 164 R CB -0.477 29.842 30.300 0.032 0.000 0.551 164 R HN 0.690 nan 8.270 nan 0.000 0.341 165 G N -0.354 108.451 108.800 0.008 0.000 2.569 165 G HA2 0.448 4.410 3.960 0.003 0.000 0.249 165 G HA3 0.448 4.410 3.960 0.003 0.000 0.249 165 G C -0.490 174.406 174.900 -0.007 0.000 1.216 165 G CA -0.169 44.930 45.100 -0.001 0.000 0.845 165 G HN 0.608 nan 8.290 nan 0.000 0.568 166 G N -2.121 106.673 108.800 -0.011 0.000 2.481 166 G HA2 0.639 4.601 3.960 0.003 0.000 0.315 166 G HA3 0.639 4.601 3.960 0.003 0.000 0.315 166 G C -0.198 174.695 174.900 -0.011 0.000 1.231 166 G CA 0.047 45.139 45.100 -0.014 0.000 0.968 166 G HN 2.159 nan 8.290 nan 0.000 0.482 167 C N -0.315 118.976 119.300 -0.015 0.000 3.680 167 C HA 0.079 4.541 4.460 0.003 0.000 0.360 167 C C 0.977 175.963 174.990 -0.006 0.000 0.907 167 C CA -0.907 58.098 59.018 -0.022 0.000 3.656 167 C CB -1.361 26.370 27.740 -0.014 0.000 1.128 167 C HN 1.815 nan 8.230 nan 0.000 0.603 168 G N 2.286 111.078 108.800 -0.014 0.000 3.155 168 G HA2 0.114 4.076 3.960 0.003 0.000 0.213 168 G HA3 0.114 4.076 3.960 0.003 0.000 0.213 168 G C 0.474 175.382 174.900 0.013 0.000 1.196 168 G CA 0.010 45.111 45.100 0.003 0.000 0.846 168 G HN 0.948 nan 8.290 nan 0.000 0.516 169 N N 2.328 121.025 118.700 -0.005 0.000 2.347 169 N HA -0.038 4.704 4.740 0.003 0.000 0.278 169 N C 0.609 176.194 175.510 0.125 0.000 1.367 169 N CA 0.672 53.720 53.050 -0.003 0.000 0.898 169 N CB 0.358 38.756 38.487 -0.148 0.000 1.203 169 N HN 0.082 nan 8.380 nan 0.000 0.491 170 T N 2.559 117.193 114.554 0.133 0.000 2.870 170 T HA -0.139 4.212 4.350 0.003 0.000 0.311 170 T C 0.717 175.590 174.700 0.288 0.000 1.052 170 T CA 0.419 62.633 62.100 0.191 0.000 1.131 170 T CB 0.447 69.447 68.868 0.221 0.000 1.082 170 T HN 0.344 nan 8.240 nan 0.000 0.511 171 Q N 3.507 123.410 119.800 0.171 0.000 2.278 171 Q HA 0.310 4.652 4.340 0.003 0.000 0.257 171 Q C -2.191 173.792 176.000 -0.028 0.000 0.928 171 Q CA -1.932 53.940 55.803 0.115 0.000 0.932 171 Q CB 1.333 30.096 28.738 0.042 0.000 1.221 171 Q HN 0.443 nan 8.270 nan 0.000 0.434 172 P HA 0.115 nan 4.420 nan 0.000 0.290 172 P C -0.610 176.475 177.300 -0.358 0.000 1.276 172 P CA -0.346 62.387 63.100 -0.612 0.000 0.808 172 P CB 1.317 32.060 31.700 -1.595 0.000 0.966 173 T N 3.452 117.836 114.554 -0.284 0.000 2.813 173 T HA 0.390 4.742 4.350 0.003 0.000 0.297 173 T C 0.641 175.232 174.700 -0.183 0.000 1.036 173 T CA 0.157 62.150 62.100 -0.177 0.000 1.044 173 T CB 0.082 68.872 68.868 -0.131 0.000 0.993 173 T HN 0.277 nan 8.240 nan 0.000 0.535 174 I N 1.073 121.588 120.570 -0.091 0.000 2.865 174 I HA 0.601 4.773 4.170 0.003 0.000 0.302 174 I C -0.257 175.863 176.117 0.005 0.000 1.140 174 I CA -1.294 59.975 61.300 -0.052 0.000 1.021 174 I CB 2.347 40.346 38.000 -0.002 0.000 1.233 174 I HN 0.618 nan 8.210 nan 0.000 0.427 175 R N 2.361 122.870 120.500 0.015 0.000 2.808 175 R HA 0.594 4.936 4.340 0.003 0.000 0.272 175 R C -1.292 175.044 176.300 0.060 0.000 0.995 175 R CA -1.127 54.997 56.100 0.039 0.000 0.917 175 R CB 2.257 32.568 30.300 0.019 0.000 1.217 175 R HN 0.490 nan 8.270 nan 0.000 0.471 176 K N 1.656 122.099 120.400 0.072 0.000 2.253 176 K HA 0.114 4.436 4.320 0.003 0.000 0.277 176 K C -1.225 175.413 176.600 0.062 0.000 1.053 176 K CA -0.429 55.908 56.287 0.083 0.000 0.892 176 K CB 1.026 33.583 32.500 0.096 0.000 1.102 176 K HN 0.646 nan 8.250 nan 0.000 0.469 177 D N 3.952 124.385 120.400 0.055 0.000 2.471 177 D HA 0.268 4.910 4.640 0.003 0.000 0.245 177 D C 0.589 176.914 176.300 0.042 0.000 1.116 177 D CA 0.540 54.565 54.000 0.041 0.000 0.853 177 D CB 1.365 42.181 40.800 0.027 0.000 1.123 177 D HN 0.875 nan 8.370 nan 0.000 0.540 178 G N 3.596 112.426 108.800 0.050 0.000 2.651 178 G HA2 -0.297 3.664 3.960 0.003 0.000 0.315 178 G HA3 -0.297 3.664 3.960 0.003 0.000 0.315 178 G C 0.685 175.625 174.900 0.067 0.000 1.258 178 G CA 0.512 45.648 45.100 0.060 0.000 1.002 178 G HN 0.579 nan 8.290 nan 0.000 0.551 179 L N 0.933 122.188 121.223 0.053 0.000 2.848 179 L HA 0.366 4.708 4.340 0.003 0.000 0.240 179 L C 0.713 177.526 176.870 -0.095 0.000 1.232 179 L CA 0.135 54.996 54.840 0.035 0.000 1.031 179 L CB -0.271 41.821 42.059 0.055 0.000 1.338 179 L HN 0.258 nan 8.230 nan 0.000 0.509 180 K N 0.957 121.318 120.400 -0.065 0.000 2.435 180 K HA 0.630 4.952 4.320 0.003 0.000 0.251 180 K C -1.063 175.533 176.600 -0.006 0.000 0.954 180 K CA -0.821 55.383 56.287 -0.137 0.000 0.820 180 K CB 3.237 35.672 32.500 -0.109 0.000 1.292 180 K HN -0.024 nan 8.250 nan 0.000 0.436 181 L N 2.134 123.372 121.223 0.025 0.000 2.295 181 L HA 0.530 4.872 4.340 0.003 0.000 0.285 181 L C -0.642 176.269 176.870 0.069 0.000 1.035 181 L CA -1.005 53.901 54.840 0.111 0.000 0.806 181 L CB 1.618 43.814 42.059 0.229 0.000 1.214 181 L HN 0.241 nan 8.230 nan 0.000 0.426 182 V N 1.579 121.519 119.914 0.044 0.000 2.876 182 V HA 0.899 5.021 4.120 0.003 0.000 0.312 182 V C 0.084 176.145 176.094 -0.054 0.000 1.085 182 V CA -0.513 61.796 62.300 0.014 0.000 0.945 182 V CB 2.142 33.974 31.823 0.015 0.000 1.017 182 V HN 0.875 nan 8.190 nan 0.000 0.428 183 G N 1.157 109.871 108.800 -0.144 0.000 2.718 183 G HA2 0.657 4.619 3.960 0.003 0.000 0.295 183 G HA3 0.657 4.619 3.960 0.003 0.000 0.295 183 G C -0.890 173.733 174.900 -0.460 0.000 1.421 183 G CA -0.114 44.780 45.100 -0.344 0.000 0.902 183 G HN 0.942 nan 8.290 nan 0.000 0.501 184 S N -0.016 115.439 115.700 -0.409 0.000 2.651 184 S HA 0.770 5.242 4.470 0.003 0.000 0.291 184 S C -1.055 173.333 174.600 -0.354 0.000 1.141 184 S CA -0.766 57.303 58.200 -0.218 0.000 1.027 184 S CB 1.698 64.852 63.200 -0.076 0.000 1.043 184 S HN 0.583 nan 8.310 nan 0.000 0.530 185 W N 1.925 123.239 121.300 0.022 0.000 2.453 185 W HA 0.445 5.106 4.660 0.003 0.000 0.310 185 W C 0.036 176.563 176.519 0.014 0.000 1.000 185 W CA -0.672 56.686 57.345 0.023 0.000 1.367 185 W CB 1.676 31.154 29.460 0.030 0.000 1.269 185 W HN 0.786 nan 8.180 nan 0.000 0.418 196 E N 0.529 120.745 120.200 0.027 0.000 7.835 196 E HA -0.101 4.251 4.350 0.003 0.000 0.463 196 E C -2.681 173.948 176.600 0.047 0.000 0.612 196 E CA -0.651 55.767 56.400 0.031 0.000 1.100 196 E CB -0.096 29.620 29.700 0.027 0.000 0.976 196 E HN 0.206 nan 8.360 nan 0.000 0.262 197 P HA 0.191 nan 4.420 nan 0.000 0.286 197 P C -0.858 176.505 177.300 0.105 0.000 1.293 197 P CA 0.150 63.295 63.100 0.076 0.000 0.770 197 P CB 0.395 32.126 31.700 0.051 0.000 1.206 198 E N -0.069 120.231 120.200 0.166 0.000 2.502 198 E HA 0.299 4.651 4.350 0.003 0.000 0.261 198 E C -0.963 175.809 176.600 0.287 0.000 0.974 198 E CA -0.299 56.228 56.400 0.211 0.000 0.795 198 E CB 0.759 30.613 29.700 0.256 0.000 1.385 198 E HN 0.315 nan 8.360 nan 0.000 0.400 199 L N 4.216 125.545 121.223 0.176 0.000 2.261 199 L HA 0.518 4.860 4.340 0.003 0.000 0.289 199 L C 0.231 177.202 176.870 0.169 0.000 1.059 199 L CA -0.440 54.496 54.840 0.160 0.000 0.816 199 L CB 0.176 42.282 42.059 0.078 0.000 1.191 199 L HN 0.334 nan 8.230 nan 0.000 0.431 200 R N 2.161 122.821 120.500 0.266 0.000 2.807 200 R HA 0.731 5.073 4.340 0.003 0.000 0.276 200 R C -1.369 175.038 176.300 0.179 0.000 0.979 200 R CA -0.878 55.344 56.100 0.204 0.000 0.928 200 R CB 1.761 32.187 30.300 0.210 0.000 1.191 200 R HN 0.185 nan 8.270 nan 0.000 0.471 201 V N 3.465 123.438 119.914 0.098 0.000 2.488 201 V HA 0.165 4.286 4.120 0.003 0.000 0.277 201 V C 0.417 176.571 176.094 0.100 0.000 1.046 201 V CA -0.530 61.811 62.300 0.069 0.000 0.986 201 V CB 1.002 32.833 31.823 0.013 0.000 0.989 201 V HN 0.578 nan 8.190 nan 0.000 0.475 202 L N 5.651 126.941 121.223 0.112 0.000 2.433 202 L HA 0.199 4.541 4.340 0.003 0.000 0.284 202 L C 0.906 177.833 176.870 0.094 0.000 1.120 202 L CA 0.047 54.973 54.840 0.143 0.000 0.879 202 L CB 0.725 42.890 42.059 0.177 0.000 1.232 202 L HN 0.873 nan 8.230 nan 0.000 0.454 203 S N 0.904 116.656 115.700 0.087 0.000 2.533 203 S HA 0.057 4.529 4.470 0.003 0.000 0.282 203 S C 1.265 175.924 174.600 0.098 0.000 1.304 203 S CA -0.592 57.644 58.200 0.060 0.000 1.063 203 S CB 1.264 64.501 63.200 0.062 0.000 0.881 203 S HN 0.638 nan 8.310 nan 0.000 0.493 204 T N 3.317 117.918 114.554 0.079 0.000 2.597 204 T HA -0.223 4.129 4.350 0.003 0.000 0.267 204 T C 1.507 176.293 174.700 0.144 0.000 1.053 204 T CA 2.251 64.466 62.100 0.192 0.000 1.165 204 T CB -0.789 68.175 68.868 0.161 0.000 0.863 204 T HN 0.879 nan 8.240 nan 0.000 0.427 205 E N 0.678 120.937 120.200 0.098 0.000 2.253 205 E HA -0.240 4.112 4.350 0.003 0.000 0.202 205 E C 2.168 178.821 176.600 0.088 0.000 1.014 205 E CA 1.293 57.742 56.400 0.081 0.000 0.823 205 E CB -0.134 29.606 29.700 0.067 0.000 0.736 205 E HN 0.607 nan 8.360 nan 0.000 0.478 206 E N 0.124 120.386 120.200 0.103 0.000 2.024 206 E HA -0.124 4.228 4.350 0.003 0.000 0.190 206 E C 2.110 178.792 176.600 0.136 0.000 0.974 206 E CA 0.380 56.847 56.400 0.112 0.000 0.810 206 E CB 0.139 29.908 29.700 0.115 0.000 0.775 206 E HN 0.087 nan 8.360 nan 0.000 0.453 207 I N 1.968 122.631 120.570 0.154 0.000 2.074 207 I HA -0.379 3.793 4.170 0.003 0.000 0.238 207 I C 2.698 178.876 176.117 0.102 0.000 1.037 207 I CA 1.410 62.803 61.300 0.156 0.000 1.301 207 I CB -1.486 36.550 38.000 0.060 0.000 1.016 207 I HN 0.359 nan 8.210 nan 0.000 0.400 208 L N 0.508 121.724 121.223 -0.012 0.000 2.026 208 L HA -0.376 3.966 4.340 0.003 0.000 0.231 208 L C 2.638 179.568 176.870 0.099 0.000 1.095 208 L CA 2.205 57.030 54.840 -0.025 0.000 0.810 208 L CB -0.539 41.528 42.059 0.014 0.000 0.909 208 L HN 0.431 nan 8.230 nan 0.000 0.444 209 N N 0.210 118.973 118.700 0.105 0.000 2.020 209 N HA -0.283 4.459 4.740 0.003 0.000 0.200 209 N C 1.777 177.404 175.510 0.194 0.000 1.054 209 N CA 2.550 55.668 53.050 0.112 0.000 0.874 209 N CB -0.497 38.071 38.487 0.136 0.000 1.075 209 N HN 0.405 nan 8.380 nan 0.000 0.446 210 I N 0.225 120.944 120.570 0.247 0.000 2.285 210 I HA -0.320 3.852 4.170 0.003 0.000 0.253 210 I C 1.943 178.187 176.117 0.212 0.000 1.104 210 I CA 1.256 62.695 61.300 0.232 0.000 1.372 210 I CB -0.426 37.700 38.000 0.209 0.000 1.057 210 I HN 0.079 nan 8.210 nan 0.000 0.431 211 F N 0.868 120.832 119.950 0.023 0.000 2.118 211 F HA -0.080 4.449 4.527 0.003 0.000 0.293 211 F C 2.514 178.312 175.800 -0.003 0.000 1.102 211 F CA 1.179 59.177 58.000 -0.003 0.000 1.247 211 F CB -0.741 38.229 39.000 -0.050 0.000 1.017 211 F HN -0.165 nan 8.300 nan 0.000 0.475 212 K N -0.623 119.859 120.400 0.138 0.000 2.127 212 K HA -0.234 4.088 4.320 0.003 0.000 0.208 212 K C 1.948 178.491 176.600 -0.094 0.000 1.047 212 K CA 1.659 57.923 56.287 -0.038 0.000 0.927 212 K CB -0.285 32.117 32.500 -0.164 0.000 0.716 212 K HN 0.323 nan 8.250 nan 0.000 0.450 213 H N 0.014 119.094 119.070 0.017 0.000 2.502 213 H HA 0.091 4.649 4.556 0.003 0.000 0.283 213 H C 0.676 175.935 175.328 -0.115 0.000 1.015 213 H CA 0.320 56.344 56.048 -0.040 0.000 1.298 213 H CB -0.075 29.675 29.762 -0.020 0.000 1.411 213 H HN 0.108 nan 8.280 nan 0.000 0.556 214 I N 2.172 122.728 120.570 -0.023 0.000 2.948 214 I HA -0.167 4.005 4.170 0.003 0.000 0.303 214 I C 1.186 177.057 176.117 -0.411 0.000 1.224 214 I CA 0.348 61.543 61.300 -0.175 0.000 1.442 214 I CB 0.372 38.273 38.000 -0.165 0.000 1.328 214 I HN 0.161 nan 8.210 nan 0.000 0.578 215 S N 4.946 120.418 115.700 -0.380 0.000 2.585 215 S HA 0.139 4.611 4.470 0.003 0.000 0.273 215 S C 1.089 175.254 174.600 -0.726 0.000 1.339 215 S CA -0.924 57.014 58.200 -0.437 0.000 1.028 215 S CB 1.574 64.633 63.200 -0.236 0.000 0.906 215 S HN 0.385 nan 8.310 nan 0.000 0.528 216 V N 3.508 123.069 119.914 -0.589 0.000 2.287 216 V HA -0.156 3.966 4.120 0.003 0.000 0.248 216 V C 2.520 178.485 176.094 -0.216 0.000 1.053 216 V CA 2.052 64.059 62.300 -0.488 0.000 1.027 216 V CB -0.912 30.789 31.823 -0.204 0.000 0.646 216 V HN 0.905 nan 8.190 nan 0.000 0.447 217 K N -0.485 119.827 120.400 -0.146 0.000 2.432 217 K HA -0.075 4.247 4.320 0.003 0.000 0.196 217 K C 1.585 178.164 176.600 -0.036 0.000 1.038 217 K CA 0.710 56.967 56.287 -0.051 0.000 0.986 217 K CB -0.087 32.387 32.500 -0.044 0.000 0.782 217 K HN 0.494 nan 8.250 nan 0.000 0.485 218 D N 0.370 120.702 120.400 -0.112 0.000 2.162 218 D HA -0.027 4.615 4.640 0.003 0.000 0.205 218 D C 1.639 177.971 176.300 0.053 0.000 0.964 218 D CA 0.688 54.650 54.000 -0.064 0.000 0.847 218 D CB -0.084 40.630 40.800 -0.143 0.000 0.988 218 D HN 0.085 nan 8.370 nan 0.000 0.480 219 F N 1.556 121.460 119.950 -0.078 0.000 2.005 219 F HA -0.302 4.227 4.527 0.003 0.000 0.297 219 F C 2.742 178.583 175.800 0.070 0.000 1.175 219 F CA 1.226 59.169 58.000 -0.094 0.000 1.192 219 F CB -0.774 38.191 39.000 -0.058 0.000 0.953 219 F HN -0.060 nan 8.300 nan 0.000 0.504 220 T N 0.228 114.991 114.554 0.347 0.000 2.653 220 T HA -0.309 4.043 4.350 0.003 0.000 0.267 220 T C 1.957 176.771 174.700 0.190 0.000 1.037 220 T CA 2.141 64.380 62.100 0.232 0.000 1.159 220 T CB -0.805 68.156 68.868 0.156 0.000 0.859 220 T HN 0.421 nan 8.240 nan 0.000 0.449 221 S N 1.347 117.136 115.700 0.149 0.000 2.380 221 S HA -0.061 4.411 4.470 0.003 0.000 0.229 221 S C 1.001 175.721 174.600 0.199 0.000 1.043 221 S CA 0.763 59.041 58.200 0.130 0.000 1.038 221 S CB -0.756 62.495 63.200 0.085 0.000 0.872 221 S HN 0.423 nan 8.310 nan 0.000 0.456 222 L N 1.471 122.855 121.223 0.268 0.000 2.399 222 L HA 0.456 4.798 4.340 0.003 0.000 0.266 222 L C 1.131 178.241 176.870 0.400 0.000 1.114 222 L CA -0.464 54.631 54.840 0.425 0.000 0.804 222 L CB 0.286 42.619 42.059 0.457 0.000 1.146 222 L HN 0.322 nan 8.230 nan 0.000 0.451 223 G N 1.978 110.938 108.800 0.267 0.000 2.726 223 G HA2 0.222 4.183 3.960 0.003 0.000 0.283 223 G HA3 0.222 4.183 3.960 0.003 0.000 0.283 223 G C -0.591 174.181 174.900 -0.213 0.000 0.689 223 G CA 0.164 45.252 45.100 -0.021 0.000 2.087 223 G HN 0.249 nan 8.290 nan 0.000 0.546 224 F N -0.333 119.597 119.950 -0.034 0.000 2.980 224 F HA 0.571 5.100 4.527 0.003 0.000 0.335 224 F C -0.030 175.768 175.800 -0.003 0.000 1.210 224 F CA -1.360 56.607 58.000 -0.055 0.000 0.986 224 F CB 2.212 41.147 39.000 -0.109 0.000 1.469 224 F HN 0.251 nan 8.300 nan 0.000 0.519 225 N N 0.021 118.853 118.700 0.219 0.000 2.599 225 N HA 0.115 4.857 4.740 0.003 0.000 0.283 225 N C 0.109 175.690 175.510 0.119 0.000 1.160 225 N CA -0.151 52.980 53.050 0.136 0.000 0.869 225 N CB 1.153 39.701 38.487 0.101 0.000 1.448 225 N HN 0.670 nan 8.380 nan 0.000 0.535 226 E N 1.842 122.124 120.200 0.137 0.000 2.236 226 E HA -0.243 4.109 4.350 0.003 0.000 0.205 226 E C 0.434 177.116 176.600 0.138 0.000 1.028 226 E CA 1.884 58.387 56.400 0.171 0.000 0.827 226 E CB 0.262 30.064 29.700 0.170 0.000 0.735 226 E HN 0.494 nan 8.360 nan 0.000 0.470 227 V N -0.988 118.934 119.914 0.013 0.000 2.922 227 V HA -0.007 4.115 4.120 0.003 0.000 0.242 227 V C 1.702 177.908 176.094 0.187 0.000 1.094 227 V CA 0.894 63.179 62.300 -0.026 0.000 1.106 227 V CB -0.245 31.311 31.823 -0.444 0.000 0.799 227 V HN 0.249 nan 8.190 nan 0.000 0.474 228 F N 0.774 120.819 119.950 0.158 0.000 2.582 228 F HA 0.204 4.733 4.527 0.003 0.000 0.290 228 F C 1.013 176.880 175.800 0.112 0.000 1.115 228 F CA 0.444 58.479 58.000 0.059 0.000 1.445 228 F CB 0.559 39.565 39.000 0.010 0.000 1.126 228 F HN 0.254 nan 8.300 nan 0.000 0.574 229 S N 0.547 116.526 115.700 0.464 0.000 2.423 229 S HA 0.444 4.916 4.470 0.003 0.000 0.213 229 S C -0.904 173.982 174.600 0.475 0.000 1.131 229 S CA -0.863 57.637 58.200 0.499 0.000 1.155 229 S CB 0.763 64.102 63.200 0.232 0.000 1.202 229 S HN 0.090 nan 8.310 nan 0.000 0.441 230 R N 2.778 123.530 120.500 0.420 0.000 2.368 230 R HA 0.404 4.746 4.340 0.003 0.000 0.302 230 R C -2.017 174.104 176.300 -0.298 0.000 1.002 230 R CA -2.313 53.429 56.100 -0.596 0.000 0.929 230 R CB 0.725 30.216 30.300 -1.347 0.000 1.073 230 R HN 0.288 nan 8.270 nan 0.000 0.464 231 P HA -0.301 nan 4.420 nan 0.000 0.218 231 P C 0.697 178.018 177.300 0.035 0.000 1.154 231 P CA 1.449 64.436 63.100 -0.188 0.000 0.872 231 P CB 0.073 31.521 31.700 -0.419 0.000 0.790 232 E N -1.733 118.408 120.200 -0.099 0.000 2.448 232 E HA -0.216 4.136 4.350 0.003 0.000 0.203 232 E C 1.000 177.543 176.600 -0.095 0.000 1.046 232 E CA 0.842 57.165 56.400 -0.128 0.000 0.871 232 E CB -0.876 28.684 29.700 -0.233 0.000 0.790 232 E HN 0.385 nan 8.360 nan 0.000 0.545 233 W N 0.085 121.405 121.300 0.034 0.000 3.107 233 W HA 0.322 4.984 4.660 0.003 0.000 0.293 233 W C 1.707 178.291 176.519 0.109 0.000 1.239 233 W CA -0.230 57.158 57.345 0.071 0.000 1.653 233 W CB -0.175 29.345 29.460 0.100 0.000 1.068 233 W HN 0.109 nan 8.180 nan 0.000 0.615 234 M N -0.066 119.722 119.600 0.312 0.000 2.549 234 M HA -0.029 4.453 4.480 0.003 0.000 0.260 234 M C 0.396 176.816 176.300 0.200 0.000 1.076 234 M CA 1.242 56.775 55.300 0.387 0.000 1.090 234 M CB -0.145 32.563 32.600 0.180 0.000 1.418 234 M HN -0.340 nan 8.290 nan 0.000 0.486 235 I N 1.712 122.327 120.570 0.075 0.000 2.330 235 I HA 0.225 4.397 4.170 0.003 0.000 0.289 235 I C -0.377 175.800 176.117 0.100 0.000 1.001 235 I CA -0.653 60.665 61.300 0.031 0.000 1.193 235 I CB 1.143 39.102 38.000 -0.067 0.000 1.345 235 I HN 0.042 nan 8.210 nan 0.000 0.461 236 L N 6.060 127.338 121.223 0.091 0.000 2.380 236 L HA 0.331 4.672 4.340 0.003 0.000 0.273 236 L C 0.642 177.565 176.870 0.089 0.000 1.138 236 L CA 0.020 54.904 54.840 0.074 0.000 0.832 236 L CB 0.427 42.506 42.059 0.033 0.000 1.124 236 L HN 0.645 nan 8.230 nan 0.000 0.454 237 T N -0.392 114.216 114.554 0.090 0.000 3.098 237 T HA 0.069 4.421 4.350 0.003 0.000 0.256 237 T C -0.115 174.629 174.700 0.073 0.000 0.921 237 T CA 0.025 62.176 62.100 0.086 0.000 0.916 237 T CB 0.452 69.382 68.868 0.103 0.000 1.246 237 T HN 0.658 nan 8.240 nan 0.000 0.511 238 C N 2.335 121.679 119.300 0.074 0.000 2.431 238 C HA 0.825 5.287 4.460 0.003 0.000 0.321 238 C C -1.422 173.593 174.990 0.041 0.000 1.202 238 C CA -1.076 57.986 59.018 0.074 0.000 1.398 238 C CB 0.056 27.860 27.740 0.107 0.000 2.047 238 C HN 0.434 nan 8.230 nan 0.000 0.465 239 L N 9.051 130.290 121.223 0.027 0.000 2.287 239 L HA 0.615 4.957 4.340 0.003 0.000 0.287 239 L C -1.960 174.934 176.870 0.040 0.000 1.022 239 L CA -1.605 53.248 54.840 0.021 0.000 0.814 239 L CB 1.731 43.786 42.059 -0.007 0.000 1.217 239 L HN 0.540 nan 8.230 nan 0.000 0.420 240 P HA 0.061 nan 4.420 nan 0.000 0.271 240 P C -1.010 176.350 177.300 0.101 0.000 1.218 240 P CA -0.112 63.081 63.100 0.155 0.000 0.780 240 P CB 1.125 32.974 31.700 0.249 0.000 0.901 241 V N 4.523 124.424 119.914 -0.021 0.000 2.276 241 V HA 0.187 4.309 4.120 0.003 0.000 0.268 241 V C -1.971 173.832 176.094 -0.486 0.000 1.032 241 V CA -2.040 60.156 62.300 -0.173 0.000 0.810 241 V CB 0.760 32.516 31.823 -0.111 0.000 1.060 241 V HN 0.554 nan 8.190 nan 0.000 0.446 242 P HA -0.001 nan 4.420 nan 0.000 0.259 242 P C -2.481 174.541 177.300 -0.463 0.000 1.155 242 P CA -0.294 62.321 63.100 -0.807 0.000 0.759 242 P CB -0.024 31.496 31.700 -0.299 0.000 0.753 243 P HA 0.113 nan 4.420 nan 0.000 0.278 243 P C -1.671 175.553 177.300 -0.127 0.000 1.238 243 P CA -1.679 61.301 63.100 -0.199 0.000 0.794 243 P CB -0.074 31.547 31.700 -0.133 0.000 0.955 244 P HA -0.245 nan 4.420 nan 0.000 0.221 244 P C -1.191 176.068 177.300 -0.068 0.000 0.967 244 P CA 2.911 65.970 63.100 -0.070 0.000 1.038 244 P CB -2.567 29.103 31.700 -0.051 0.000 0.731 245 P HA -0.134 nan 4.420 nan 0.000 0.219 245 P C 1.639 178.911 177.300 -0.047 0.000 1.147 245 P CA 1.269 64.338 63.100 -0.051 0.000 0.821 245 P CB -0.470 31.201 31.700 -0.047 0.000 0.771 246 V N -0.763 119.118 119.914 -0.055 0.000 2.725 246 V HA -0.057 4.065 4.120 0.003 0.000 0.247 246 V C 1.452 177.516 176.094 -0.050 0.000 1.058 246 V CA 1.270 63.544 62.300 -0.043 0.000 1.080 246 V CB -0.770 31.023 31.823 -0.050 0.000 0.713 246 V HN 0.233 nan 8.190 nan 0.000 0.465 247 R N 1.037 121.499 120.500 -0.064 0.000 2.738 247 R HA 0.355 4.697 4.340 0.003 0.000 0.280 247 R C -3.003 173.247 176.300 -0.084 0.000 1.456 247 R CA -1.358 54.699 56.100 -0.071 0.000 1.612 247 R CB 0.320 30.581 30.300 -0.065 0.000 1.286 247 R HN 0.239 nan 8.270 nan 0.000 0.660 248 P HA 0.032 nan 4.420 nan 0.000 0.275 248 P C -0.036 177.202 177.300 -0.102 0.000 1.270 248 P CA -0.029 63.022 63.100 -0.082 0.000 0.791 248 P CB 1.158 32.815 31.700 -0.072 0.000 1.089 249 S N -0.182 115.453 115.700 -0.109 0.000 2.430 249 S HA 0.627 5.099 4.470 0.003 0.000 0.246 249 S C 0.271 174.775 174.600 -0.160 0.000 1.155 249 S CA -0.612 57.508 58.200 -0.134 0.000 1.054 249 S CB 0.063 63.186 63.200 -0.128 0.000 1.154 249 S HN 0.487 nan 8.310 nan 0.000 0.482 250 I N 1.279 121.708 120.570 -0.234 0.000 2.693 250 I HA 0.118 4.290 4.170 0.003 0.000 0.271 250 I C -1.236 174.487 176.117 -0.656 0.000 1.408 250 I CA -0.261 60.827 61.300 -0.353 0.000 1.179 250 I CB 1.657 39.484 38.000 -0.289 0.000 1.497 250 I HN 0.708 nan 8.210 nan 0.000 0.434 251 S N 4.409 119.793 115.700 -0.526 0.000 2.541 251 S HA 0.659 5.131 4.470 0.003 0.000 0.283 251 S C -0.471 173.756 174.600 -0.622 0.000 1.196 251 S CA -0.550 57.318 58.200 -0.552 0.000 1.062 251 S CB 0.959 64.017 63.200 -0.236 0.000 1.009 251 S HN 0.379 nan 8.310 nan 0.000 0.502 252 F N 2.657 122.604 119.950 -0.004 0.000 2.578 252 F HA 0.388 4.917 4.527 0.003 0.000 0.314 252 F C 0.964 176.764 175.800 -0.001 0.000 1.225 252 F CA -0.787 57.211 58.000 -0.002 0.000 1.215 252 F CB -0.861 38.139 39.000 -0.000 0.000 1.448 252 F HN 0.615 nan 8.300 nan 0.000 0.548 253 N N 0.238 118.964 118.700 0.043 0.000 3.988 253 N HA -0.263 4.479 4.740 0.003 0.000 0.229 253 N C 0.713 176.232 175.510 0.015 0.000 0.276 253 N CA 1.966 55.033 53.050 0.028 0.000 2.813 253 N CB -0.595 37.924 38.487 0.054 0.000 1.426 253 N HN 0.503 nan 8.380 nan 0.000 0.322 254 E N 0.113 120.340 120.200 0.044 0.000 4.381 254 E HA 0.266 4.617 4.350 0.003 0.000 0.212 254 E C -0.207 176.427 176.600 0.056 0.000 1.112 254 E CA 0.234 56.654 56.400 0.033 0.000 0.938 254 E CB 0.014 29.728 29.700 0.024 0.000 2.387 254 E HN 0.370 nan 8.360 nan 0.000 0.486 255 S N 1.592 117.322 115.700 0.050 0.000 3.185 255 S HA -0.120 4.352 4.470 0.003 0.000 0.242 255 S C -0.010 174.637 174.600 0.080 0.000 0.824 255 S CA 0.588 58.820 58.200 0.053 0.000 1.754 255 S CB -0.695 62.527 63.200 0.037 0.000 1.443 255 S HN 0.287 nan 8.310 nan 0.000 0.617 256 Q N 0.480 120.348 119.800 0.113 0.000 2.728 256 Q HA 0.538 4.880 4.340 0.003 0.000 0.378 256 Q C 0.241 176.345 176.000 0.175 0.000 0.670 256 Q CA -1.212 54.694 55.803 0.172 0.000 0.915 256 Q CB 1.024 29.950 28.738 0.313 0.000 1.128 256 Q HN 0.417 nan 8.270 nan 0.000 0.483 257 R N -1.221 119.440 120.500 0.269 0.000 2.642 257 R HA 0.625 4.967 4.340 0.003 0.000 0.103 257 R C -0.141 176.240 176.300 0.136 0.000 1.144 257 R CA 0.049 56.262 56.100 0.188 0.000 0.955 257 R CB 0.327 30.743 30.300 0.193 0.000 0.817 257 R HN 0.797 nan 8.270 nan 0.000 0.381 258 G N 1.182 110.087 108.800 0.175 0.000 2.148 258 G HA2 -0.143 3.819 3.960 0.003 0.000 0.157 258 G HA3 -0.143 3.819 3.960 0.003 0.000 0.157 258 G C -0.397 174.461 174.900 -0.069 0.000 1.012 258 G CA -0.490 44.624 45.100 0.022 0.000 0.677 258 G HN 0.182 nan 8.290 nan 0.000 0.506 259 E N 1.113 121.267 120.200 -0.076 0.000 2.415 259 E HA 0.195 4.547 4.350 0.003 0.000 0.262 259 E C 0.094 176.463 176.600 -0.385 0.000 1.038 259 E CA -0.143 56.115 56.400 -0.238 0.000 0.921 259 E CB 0.860 30.391 29.700 -0.281 0.000 0.950 259 E HN 0.385 nan 8.360 nan 0.000 0.438 260 D N 1.338 121.524 120.400 -0.356 0.000 2.304 260 D HA -0.012 4.630 4.640 0.003 0.000 0.247 260 D C 0.315 176.355 176.300 -0.433 0.000 1.089 260 D CA -0.287 53.531 54.000 -0.303 0.000 0.910 260 D CB 0.915 41.605 40.800 -0.183 0.000 1.199 260 D HN 0.195 nan 8.370 nan 0.000 0.426 261 D N 2.012 122.248 120.400 -0.273 0.000 2.126 261 D HA -0.198 4.444 4.640 0.003 0.000 0.190 261 D C 1.972 178.213 176.300 -0.099 0.000 1.001 261 D CA 1.296 55.190 54.000 -0.178 0.000 0.841 261 D CB 0.025 40.796 40.800 -0.048 0.000 0.949 261 D HN 0.389 nan 8.370 nan 0.000 0.446 262 L N 0.247 121.437 121.223 -0.055 0.000 1.971 262 L HA -0.229 4.113 4.340 0.003 0.000 0.215 262 L C 2.279 179.165 176.870 0.028 0.000 1.072 262 L CA 1.598 56.463 54.840 0.042 0.000 0.758 262 L CB -0.917 41.172 42.059 0.049 0.000 0.889 262 L HN 0.101 nan 8.230 nan 0.000 0.433 263 T N -0.428 114.085 114.554 -0.068 0.000 3.070 263 T HA -0.196 4.156 4.350 0.003 0.000 0.270 263 T C 1.347 176.124 174.700 0.129 0.000 1.175 263 T CA 1.195 63.270 62.100 -0.041 0.000 1.073 263 T CB -0.349 68.447 68.868 -0.120 0.000 0.840 263 T HN 0.269 nan 8.240 nan 0.000 0.576 264 F N 0.293 120.233 119.950 -0.017 0.000 2.399 264 F HA 0.141 4.670 4.527 0.003 0.000 0.282 264 F C 2.187 177.944 175.800 -0.071 0.000 1.027 264 F CA -0.188 57.792 58.000 -0.032 0.000 1.333 264 F CB 0.143 39.132 39.000 -0.019 0.000 1.132 264 F HN -0.099 nan 8.300 nan 0.000 0.590 265 K N 1.029 121.513 120.400 0.139 0.000 2.281 265 K HA -0.133 4.189 4.320 0.003 0.000 0.203 265 K C 1.692 178.217 176.600 -0.124 0.000 1.046 265 K CA 0.904 57.172 56.287 -0.031 0.000 0.938 265 K CB -0.460 32.071 32.500 0.051 0.000 0.737 265 K HN 0.287 nan 8.250 nan 0.000 0.458 266 L N -0.694 120.468 121.223 -0.103 0.000 2.068 266 L HA -0.061 4.280 4.340 0.003 0.000 0.204 266 L C 2.356 179.183 176.870 -0.071 0.000 1.076 266 L CA 1.071 55.802 54.840 -0.182 0.000 0.753 266 L CB -0.701 41.262 42.059 -0.159 0.000 0.910 266 L HN 0.175 nan 8.230 nan 0.000 0.439 267 A N 0.184 123.012 122.820 0.012 0.000 1.903 267 A HA -0.292 4.030 4.320 0.003 0.000 0.219 267 A C 1.912 179.495 177.584 -0.001 0.000 1.191 267 A CA 2.284 54.339 52.037 0.030 0.000 0.638 267 A CB -0.654 18.396 19.000 0.083 0.000 0.823 267 A HN 0.387 nan 8.150 nan 0.000 0.451 268 D N -0.136 120.244 120.400 -0.033 0.000 2.106 268 D HA -0.146 4.496 4.640 0.003 0.000 0.194 268 D C 1.940 178.315 176.300 0.124 0.000 0.988 268 D CA 1.488 55.480 54.000 -0.014 0.000 0.845 268 D CB -0.564 40.024 40.800 -0.354 0.000 0.990 268 D HN 0.457 nan 8.370 nan 0.000 0.448 269 I N 0.627 121.249 120.570 0.086 0.000 2.182 269 I HA -0.321 3.851 4.170 0.003 0.000 0.248 269 I C 2.417 178.564 176.117 0.051 0.000 1.073 269 I CA 0.738 62.106 61.300 0.113 0.000 1.335 269 I CB -0.247 37.726 38.000 -0.045 0.000 1.031 269 I HN 0.094 nan 8.210 nan 0.000 0.420 270 L N 0.892 122.117 121.223 0.002 0.000 1.970 270 L HA -0.230 4.112 4.340 0.003 0.000 0.212 270 L C 2.431 179.305 176.870 0.007 0.000 1.071 270 L CA 1.941 56.775 54.840 -0.011 0.000 0.751 270 L CB -0.959 41.090 42.059 -0.016 0.000 0.889 270 L HN 0.128 nan 8.230 nan 0.000 0.432 271 K N -0.557 119.858 120.400 0.024 0.000 2.001 271 K HA -0.258 4.064 4.320 0.003 0.000 0.223 271 K C 1.926 178.540 176.600 0.023 0.000 1.055 271 K CA 2.058 58.359 56.287 0.022 0.000 0.965 271 K CB -0.719 31.804 32.500 0.038 0.000 0.730 271 K HN 0.476 nan 8.250 nan 0.000 0.449 272 A N 1.178 124.031 122.820 0.056 0.000 2.139 272 A HA -0.250 4.072 4.320 0.003 0.000 0.221 272 A C 1.804 179.392 177.584 0.007 0.000 1.159 272 A CA 2.114 54.164 52.037 0.022 0.000 0.662 272 A CB -0.683 18.328 19.000 0.018 0.000 0.796 272 A HN 0.433 nan 8.150 nan 0.000 0.463 273 N N -0.398 118.307 118.700 0.009 0.000 2.278 273 N HA 0.044 4.786 4.740 0.003 0.000 0.181 273 N C 1.489 176.991 175.510 -0.014 0.000 1.023 273 N CA 1.209 54.256 53.050 -0.004 0.000 0.862 273 N CB -0.221 38.258 38.487 -0.014 0.000 1.003 273 N HN 0.435 nan 8.380 nan 0.000 0.431 274 I N 0.349 120.904 120.570 -0.024 0.000 2.202 274 I HA -0.255 3.917 4.170 0.003 0.000 0.242 274 I C 2.400 178.505 176.117 -0.021 0.000 1.091 274 I CA 1.249 62.529 61.300 -0.033 0.000 1.368 274 I CB -0.663 37.305 38.000 -0.054 0.000 1.058 274 I HN 0.288 nan 8.210 nan 0.000 0.410 275 S N 1.703 117.392 115.700 -0.018 0.000 2.372 275 S HA -0.278 4.194 4.470 0.003 0.000 0.227 275 S C 2.024 176.616 174.600 -0.014 0.000 1.044 275 S CA 1.600 59.790 58.200 -0.017 0.000 1.050 275 S CB -0.974 62.215 63.200 -0.018 0.000 0.901 275 S HN 0.354 nan 8.310 nan 0.000 0.447 276 L N 2.020 123.235 121.223 -0.013 0.000 1.924 276 L HA -0.105 4.237 4.340 0.003 0.000 0.222 276 L C 2.647 179.515 176.870 -0.004 0.000 1.081 276 L CA 2.740 57.573 54.840 -0.012 0.000 0.780 276 L CB -1.335 40.719 42.059 -0.008 0.000 0.891 276 L HN 0.589 nan 8.230 nan 0.000 0.434 277 E N -1.129 119.077 120.200 0.010 0.000 2.132 277 E HA -0.356 3.996 4.350 0.003 0.000 0.218 277 E C 1.699 178.343 176.600 0.074 0.000 1.058 277 E CA 2.590 59.019 56.400 0.049 0.000 0.882 277 E CB -0.434 29.298 29.700 0.053 0.000 0.774 277 E HN 0.651 nan 8.360 nan 0.000 0.467 278 T N 0.914 115.493 114.554 0.041 0.000 3.118 278 T HA -0.087 4.265 4.350 0.003 0.000 0.269 278 T C 1.455 176.170 174.700 0.024 0.000 1.166 278 T CA 0.658 62.781 62.100 0.038 0.000 1.073 278 T CB -0.083 68.787 68.868 0.003 0.000 0.884 278 T HN 0.215 nan 8.240 nan 0.000 0.550 279 L N -0.252 120.972 121.223 0.002 0.000 2.425 279 L HA 0.214 4.556 4.340 0.003 0.000 0.215 279 L C 2.058 178.888 176.870 -0.067 0.000 1.065 279 L CA 0.582 55.404 54.840 -0.030 0.000 0.842 279 L CB -0.071 41.966 42.059 -0.036 0.000 1.033 279 L HN 0.224 nan 8.230 nan 0.000 0.474 280 E N -0.560 119.580 120.200 -0.100 0.000 2.494 280 E HA -0.029 4.323 4.350 0.003 0.000 0.193 280 E C 0.589 176.945 176.600 -0.406 0.000 1.074 280 E CA 0.287 56.548 56.400 -0.232 0.000 0.867 280 E CB 0.255 29.797 29.700 -0.263 0.000 0.924 280 E HN 0.463 nan 8.360 nan 0.000 0.502 281 H N -1.060 117.988 119.070 -0.038 0.000 3.230 281 H HA 0.294 4.852 4.556 0.003 0.000 0.259 281 H C 0.152 175.457 175.328 -0.039 0.000 1.195 281 H CA -0.125 55.903 56.048 -0.035 0.000 1.112 281 H CB 0.720 30.464 29.762 -0.029 0.000 1.638 281 H HN 0.020 nan 8.280 nan 0.000 0.624 282 N N -0.356 118.364 118.700 0.033 0.000 3.455 282 N HA 0.185 4.927 4.740 0.003 0.000 0.358 282 N C 0.413 175.899 175.510 -0.039 0.000 1.580 282 N CA -0.360 52.692 53.050 0.003 0.000 0.692 282 N CB 0.688 39.176 38.487 0.003 0.000 1.978 282 N HN 0.134 nan 8.380 nan 0.000 0.651 283 G N 0.288 109.063 108.800 -0.042 0.000 2.472 283 G HA2 0.329 4.291 3.960 0.003 0.000 0.291 283 G HA3 0.329 4.291 3.960 0.003 0.000 0.291 283 G C -0.145 174.702 174.900 -0.087 0.000 0.898 283 G CA 0.035 45.097 45.100 -0.063 0.000 1.645 283 G HN 0.519 nan 8.290 nan 0.000 0.459 284 A N 5.657 128.397 122.820 -0.133 0.000 2.798 284 A HA 0.535 4.857 4.320 0.003 0.000 0.316 284 A C -1.366 176.072 177.584 -0.244 0.000 1.506 284 A CA -1.415 50.518 52.037 -0.174 0.000 1.162 284 A CB 0.427 19.304 19.000 -0.205 0.000 1.138 284 A HN 0.509 nan 8.150 nan 0.000 0.532 285 P HA 0.006 nan 4.420 nan 0.000 0.235 285 P C 0.693 177.931 177.300 -0.104 0.000 1.765 285 P CA 0.036 63.059 63.100 -0.128 0.000 1.034 285 P CB -0.321 31.345 31.700 -0.056 0.000 1.984 286 H N 1.350 120.322 119.070 -0.163 0.000 1.455 286 H HA -0.247 4.311 4.556 0.003 0.000 0.091 286 H C 0.501 175.627 175.328 -0.335 0.000 1.257 286 H CA 2.153 58.006 56.048 -0.326 0.000 1.900 286 H CB -1.227 28.233 29.762 -0.504 0.000 2.256 286 H HN 0.617 nan 8.280 nan 0.000 0.960 287 H N -0.396 118.753 119.070 0.131 0.000 2.533 287 H HA 0.589 5.147 4.556 0.003 0.000 0.281 287 H C 0.726 176.071 175.328 0.027 0.000 1.238 287 H CA 0.649 56.732 56.048 0.058 0.000 1.024 287 H CB 0.182 29.969 29.762 0.041 0.000 1.604 287 H HN 0.473 nan 8.280 nan 0.000 0.531 288 A N -0.033 122.839 122.820 0.086 0.000 2.551 288 A HA 0.252 4.574 4.320 0.003 0.000 0.252 288 A C 1.636 179.231 177.584 0.019 0.000 1.199 288 A CA -0.152 51.910 52.037 0.041 0.000 0.972 288 A CB 0.272 19.281 19.000 0.015 0.000 1.153 288 A HN 0.302 nan 8.150 nan 0.000 0.559 289 I N 0.426 121.014 120.570 0.030 0.000 2.512 289 I HA -0.094 4.077 4.170 0.003 0.000 0.247 289 I C 1.975 178.104 176.117 0.021 0.000 1.094 289 I CA 0.990 62.298 61.300 0.012 0.000 1.427 289 I CB -0.028 37.977 38.000 0.007 0.000 1.149 289 I HN 0.521 nan 8.210 nan 0.000 0.438 290 E N 1.219 121.451 120.200 0.053 0.000 2.495 290 E HA -0.195 4.157 4.350 0.003 0.000 0.204 290 E C 0.882 177.485 176.600 0.005 0.000 1.163 290 E CA 0.624 57.045 56.400 0.035 0.000 0.922 290 E CB -0.293 29.442 29.700 0.058 0.000 0.918 290 E HN 0.600 nan 8.360 nan 0.000 0.537 291 E N -0.038 120.161 120.200 -0.003 0.000 2.447 291 E HA 0.152 4.504 4.350 0.003 0.000 0.204 291 E C 1.367 177.940 176.600 -0.045 0.000 0.977 291 E CA 0.446 56.831 56.400 -0.024 0.000 0.950 291 E CB 0.616 30.305 29.700 -0.018 0.000 0.975 291 E HN 0.354 nan 8.360 nan 0.000 0.496 292 A N 0.652 123.450 122.820 -0.036 0.000 2.431 292 A HA 0.088 4.410 4.320 0.003 0.000 0.239 292 A C 1.559 179.119 177.584 -0.041 0.000 1.230 292 A CA -0.135 51.873 52.037 -0.049 0.000 0.928 292 A CB 0.281 19.257 19.000 -0.040 0.000 1.006 292 A HN 0.027 nan 8.150 nan 0.000 0.520 293 E N 0.477 120.660 120.200 -0.028 0.000 2.452 293 E HA -0.060 4.292 4.350 0.003 0.000 0.197 293 E C 1.776 178.363 176.600 -0.023 0.000 1.022 293 E CA 0.999 57.389 56.400 -0.018 0.000 0.890 293 E CB 0.232 29.928 29.700 -0.007 0.000 0.918 293 E HN 0.664 nan 8.360 nan 0.000 0.496 294 S N 0.486 116.165 115.700 -0.036 0.000 2.388 294 S HA -0.118 4.354 4.470 0.003 0.000 0.223 294 S C 2.077 176.668 174.600 -0.014 0.000 1.034 294 S CA 0.409 58.591 58.200 -0.030 0.000 0.963 294 S CB -0.357 62.814 63.200 -0.048 0.000 0.827 294 S HN 0.229 nan 8.310 nan 0.000 0.481 295 L N 1.193 122.367 121.223 -0.083 0.000 2.013 295 L HA 0.002 4.344 4.340 0.003 0.000 0.212 295 L C 2.315 179.132 176.870 -0.088 0.000 1.073 295 L CA 1.727 56.469 54.840 -0.164 0.000 0.753 295 L CB -0.955 40.973 42.059 -0.218 0.000 0.890 295 L HN 0.411 nan 8.230 nan 0.000 0.432 296 L N -0.499 120.702 121.223 -0.037 0.000 1.976 296 L HA -0.242 4.100 4.340 0.003 0.000 0.209 296 L C 2.644 179.569 176.870 0.093 0.000 1.071 296 L CA 2.226 57.083 54.840 0.028 0.000 0.746 296 L CB -1.046 41.027 42.059 0.023 0.000 0.890 296 L HN 0.527 nan 8.230 nan 0.000 0.432 297 Q N -1.013 118.832 119.800 0.074 0.000 2.197 297 Q HA -0.309 4.033 4.340 0.003 0.000 0.211 297 Q C 1.981 178.073 176.000 0.153 0.000 0.993 297 Q CA 2.439 58.295 55.803 0.088 0.000 0.883 297 Q CB -0.736 28.015 28.738 0.021 0.000 0.916 297 Q HN 0.562 nan 8.270 nan 0.000 0.418 298 F N -0.329 119.622 119.950 0.003 0.000 2.009 298 F HA -0.151 4.378 4.527 0.003 0.000 0.293 298 F C 2.122 178.016 175.800 0.157 0.000 1.156 298 F CA 2.338 60.364 58.000 0.042 0.000 1.168 298 F CB -0.799 38.181 39.000 -0.033 0.000 0.981 298 F HN 0.248 nan 8.300 nan 0.000 0.475 299 H N -0.762 118.442 119.070 0.222 0.000 2.265 299 H HA -0.201 4.357 4.556 0.003 0.000 0.293 299 H C 2.075 177.423 175.328 0.032 0.000 1.089 299 H CA 1.622 57.716 56.048 0.077 0.000 1.244 299 H CB -0.618 29.228 29.762 0.140 0.000 1.355 299 H HN 0.162 nan 8.280 nan 0.000 0.485 300 V N 0.730 120.762 119.914 0.197 0.000 3.284 300 V HA -0.228 3.893 4.120 0.003 0.000 0.273 300 V C 1.934 178.136 176.094 0.179 0.000 1.178 300 V CA 1.251 63.641 62.300 0.151 0.000 1.177 300 V CB -0.885 31.005 31.823 0.112 0.000 0.793 300 V HN 0.521 nan 8.190 nan 0.000 0.536 301 A N -1.274 121.612 122.820 0.111 0.000 1.988 301 A HA 0.017 4.339 4.320 0.003 0.000 0.201 301 A C 2.239 179.822 177.584 -0.001 0.000 1.410 301 A CA 1.112 53.188 52.037 0.065 0.000 0.832 301 A CB -0.400 18.613 19.000 0.022 0.000 0.981 301 A HN 0.324 nan 8.150 nan 0.000 0.492 302 T N -1.126 113.347 114.554 -0.135 0.000 2.788 302 T HA -0.171 4.181 4.350 0.003 0.000 0.268 302 T C 1.723 176.426 174.700 0.004 0.000 1.044 302 T CA 1.868 63.865 62.100 -0.171 0.000 1.139 302 T CB -0.485 68.143 68.868 -0.399 0.000 0.867 302 T HN 0.509 nan 8.240 nan 0.000 0.454 303 Y N 1.373 121.632 120.300 -0.069 0.000 2.181 303 Y HA -0.233 4.319 4.550 0.003 0.000 0.284 303 Y C 1.964 177.863 175.900 -0.002 0.000 1.179 303 Y CA 1.721 59.803 58.100 -0.029 0.000 1.179 303 Y CB -0.397 38.060 38.460 -0.005 0.000 0.973 303 Y HN 0.278 nan 8.280 nan 0.000 0.519 304 M N -1.224 118.345 119.600 -0.052 0.000 2.447 304 M HA 0.053 4.534 4.480 0.003 0.000 0.266 304 M C -0.030 176.242 176.300 -0.046 0.000 1.120 304 M CA 0.825 56.046 55.300 -0.132 0.000 1.166 304 M CB 0.308 32.923 32.600 0.025 0.000 1.349 304 M HN 0.024 nan 8.290 nan 0.000 0.463 305 D N -0.775 119.615 120.400 -0.017 0.000 2.732 305 D HA 0.258 4.900 4.640 0.003 0.000 0.229 305 D C -0.795 175.477 176.300 -0.045 0.000 1.152 305 D CA -0.106 53.879 54.000 -0.024 0.000 0.854 305 D CB 1.725 42.530 40.800 0.008 0.000 1.590 305 D HN -0.116 nan 8.370 nan 0.000 0.468 306 N N 1.175 119.851 118.700 -0.040 0.000 2.129 306 N HA 0.046 4.788 4.740 0.003 0.000 0.222 306 N C -1.022 174.478 175.510 -0.016 0.000 1.303 306 N CA 0.115 53.143 53.050 -0.036 0.000 0.897 306 N CB 0.718 39.191 38.487 -0.024 0.000 1.093 306 N HN 0.327 nan 8.380 nan 0.000 0.501 307 D N 0.767 121.157 120.400 -0.017 0.000 2.973 307 D HA 0.305 4.947 4.640 0.003 0.000 0.263 307 D C 0.073 176.372 176.300 -0.002 0.000 1.266 307 D CA -0.023 53.972 54.000 -0.009 0.000 0.975 307 D CB 0.683 41.471 40.800 -0.020 0.000 1.032 307 D HN 0.240 nan 8.370 nan 0.000 0.510 308 I N 0.022 120.598 120.570 0.009 0.000 2.918 308 I HA 0.380 4.552 4.170 0.003 0.000 0.316 308 I C 1.493 177.627 176.117 0.029 0.000 1.001 308 I CA -0.910 60.402 61.300 0.021 0.000 1.142 308 I CB 1.380 39.397 38.000 0.028 0.000 1.356 308 I HN 0.088 nan 8.210 nan 0.000 0.524 309 A N 2.428 125.268 122.820 0.033 0.000 2.072 309 A HA 0.108 4.430 4.320 0.003 0.000 0.216 309 A C 1.718 179.329 177.584 0.044 0.000 1.156 309 A CA 0.863 52.920 52.037 0.034 0.000 0.701 309 A CB -0.783 18.236 19.000 0.031 0.000 0.816 309 A HN 0.930 nan 8.150 nan 0.000 0.458 310 G N -0.605 108.229 108.800 0.056 0.000 3.392 310 G HA2 0.296 4.258 3.960 0.003 0.000 0.247 310 G HA3 0.296 4.258 3.960 0.003 0.000 0.247 310 G C 0.576 175.527 174.900 0.086 0.000 1.161 310 G CA 0.427 45.570 45.100 0.071 0.000 1.739 310 G HN 0.592 nan 8.290 nan 0.000 0.619 311 Q N -0.251 119.589 119.800 0.068 0.000 2.632 311 Q HA -0.265 4.077 4.340 0.003 0.000 0.459 311 Q C -1.303 174.755 176.000 0.096 0.000 0.530 311 Q CA 1.927 57.771 55.803 0.069 0.000 1.014 311 Q CB -2.006 26.765 28.738 0.056 0.000 1.769 311 Q HN 0.435 nan 8.270 nan 0.000 1.079 312 P HA -0.202 nan 4.420 nan 0.000 0.250 312 P C -0.492 176.924 177.300 0.193 0.000 1.095 312 P CA 1.220 64.418 63.100 0.164 0.000 0.774 312 P CB 0.100 31.925 31.700 0.208 0.000 0.678 313 Q N 3.003 122.889 119.800 0.144 0.000 2.403 313 Q HA 0.139 4.481 4.340 0.003 0.000 0.203 313 Q C 0.947 177.034 176.000 0.145 0.000 0.932 313 Q CA 0.580 56.450 55.803 0.113 0.000 0.945 313 Q CB 0.109 28.891 28.738 0.073 0.000 1.045 313 Q HN 0.658 nan 8.270 nan 0.000 0.511 314 A N 1.017 123.993 122.820 0.261 0.000 2.667 314 A HA -0.189 4.132 4.320 0.003 0.000 0.298 314 A C 0.043 177.730 177.584 0.172 0.000 1.483 314 A CA 0.200 52.426 52.037 0.315 0.000 0.738 314 A CB -2.246 16.919 19.000 0.274 0.000 1.067 314 A HN 0.421 nan 8.150 nan 0.000 0.451 315 L N 0.334 121.636 121.223 0.133 0.000 2.534 315 L HA 0.084 4.426 4.340 0.003 0.000 0.271 315 L C 1.151 178.072 176.870 0.085 0.000 1.178 315 L CA 0.453 55.347 54.840 0.090 0.000 0.907 315 L CB 0.556 42.657 42.059 0.070 0.000 1.164 315 L HN 0.743 nan 8.230 nan 0.000 0.482 316 Q N 5.050 124.897 119.800 0.078 0.000 2.267 316 Q HA 0.130 4.471 4.340 0.003 0.000 0.255 316 Q C -0.465 175.569 176.000 0.057 0.000 0.923 316 Q CA -0.789 55.058 55.803 0.072 0.000 0.925 316 Q CB 0.966 29.762 28.738 0.097 0.000 1.195 316 Q HN 0.402 nan 8.270 nan 0.000 0.417 317 K N 2.397 122.819 120.400 0.038 0.000 2.378 317 K HA -0.230 4.092 4.320 0.003 0.000 0.250 317 K C 0.242 176.863 176.600 0.036 0.000 1.125 317 K CA 1.447 57.750 56.287 0.027 0.000 1.192 317 K CB -0.403 32.102 32.500 0.007 0.000 0.751 317 K HN 1.002 nan 8.250 nan 0.000 0.502 318 S N 0.182 115.900 115.700 0.030 0.000 2.163 318 S HA -0.112 4.360 4.470 0.003 0.000 0.255 318 S C 0.848 175.466 174.600 0.030 0.000 1.361 318 S CA 0.933 59.151 58.200 0.029 0.000 1.162 318 S CB -1.917 61.304 63.200 0.034 0.000 1.460 318 S HN 1.599 nan 8.310 nan 0.000 0.653 319 G N 1.386 110.207 108.800 0.035 0.000 2.153 319 G HA2 -0.339 3.623 3.960 0.003 0.000 0.252 319 G HA3 -0.339 3.623 3.960 0.003 0.000 0.252 319 G C -0.151 174.772 174.900 0.037 0.000 0.994 319 G CA 0.555 45.676 45.100 0.035 0.000 0.698 319 G HN 0.923 nan 8.290 nan 0.000 0.521 320 R N 0.488 121.014 120.500 0.043 0.000 2.267 320 R HA 0.309 4.651 4.340 0.003 0.000 0.319 320 R C -0.660 175.668 176.300 0.047 0.000 1.067 320 R CA -1.385 54.740 56.100 0.042 0.000 0.936 320 R CB 0.631 30.959 30.300 0.047 0.000 1.006 320 R HN 0.039 nan 8.270 nan 0.000 0.452 321 P HA -0.265 nan 4.420 nan 0.000 0.224 321 P C -0.546 176.780 177.300 0.043 0.000 1.153 321 P CA 1.248 64.371 63.100 0.037 0.000 0.947 321 P CB 0.143 31.857 31.700 0.023 0.000 0.790 322 V N -3.316 116.622 119.914 0.039 0.000 3.031 322 V HA -0.101 4.021 4.120 0.003 0.000 0.440 322 V C -0.445 175.660 176.094 0.018 0.000 0.682 322 V CA -0.342 61.983 62.300 0.041 0.000 1.974 322 V CB -0.683 31.169 31.823 0.048 0.000 2.460 322 V HN 0.120 nan 8.190 nan 0.000 0.489 323 K N 3.712 124.119 120.400 0.011 0.000 2.183 323 K HA 0.485 4.807 4.320 0.003 0.000 0.272 323 K C 0.537 177.123 176.600 -0.025 0.000 1.113 323 K CA 0.236 56.516 56.287 -0.011 0.000 0.949 323 K CB 0.852 33.341 32.500 -0.018 0.000 1.365 323 K HN 0.838 nan 8.250 nan 0.000 0.420 324 S N 2.026 117.704 115.700 -0.036 0.000 2.560 324 S HA 0.086 4.558 4.470 0.003 0.000 0.284 324 S C 1.531 176.068 174.600 -0.105 0.000 1.327 324 S CA -0.635 57.526 58.200 -0.064 0.000 1.055 324 S CB 0.524 63.689 63.200 -0.058 0.000 0.868 324 S HN 0.472 nan 8.310 nan 0.000 0.506 325 I N 1.827 122.290 120.570 -0.179 0.000 2.113 325 I HA -0.347 3.825 4.170 0.003 0.000 0.242 325 I C 2.960 178.995 176.117 -0.138 0.000 1.057 325 I CA 2.317 63.506 61.300 -0.185 0.000 1.314 325 I CB -0.499 37.331 38.000 -0.283 0.000 1.022 325 I HN 0.874 nan 8.210 nan 0.000 0.408 326 R N 1.684 122.103 120.500 -0.135 0.000 2.136 326 R HA -0.294 4.048 4.340 0.003 0.000 0.242 326 R C 2.319 178.538 176.300 -0.134 0.000 1.131 326 R CA 2.402 58.405 56.100 -0.161 0.000 0.937 326 R CB -0.680 29.527 30.300 -0.153 0.000 0.863 326 R HN 0.363 nan 8.270 nan 0.000 0.435 327 A N 1.066 123.825 122.820 -0.101 0.000 2.054 327 A HA -0.221 4.101 4.320 0.003 0.000 0.223 327 A C 2.219 179.759 177.584 -0.074 0.000 1.169 327 A CA 1.929 53.919 52.037 -0.079 0.000 0.655 327 A CB -0.628 18.337 19.000 -0.058 0.000 0.812 327 A HN 0.533 nan 8.150 nan 0.000 0.462 328 R N -0.954 119.499 120.500 -0.078 0.000 2.189 328 R HA 0.058 4.400 4.340 0.003 0.000 0.218 328 R C 1.509 177.769 176.300 -0.068 0.000 1.074 328 R CA 1.221 57.282 56.100 -0.066 0.000 0.991 328 R CB -0.249 30.012 30.300 -0.064 0.000 0.883 328 R HN 0.589 nan 8.270 nan 0.000 0.457 329 L N -0.066 121.102 121.223 -0.090 0.000 2.515 329 L HA 0.155 4.497 4.340 0.003 0.000 0.223 329 L C 0.874 177.687 176.870 -0.095 0.000 1.079 329 L CA -0.216 54.568 54.840 -0.094 0.000 0.857 329 L CB -0.151 41.832 42.059 -0.126 0.000 1.050 329 L HN -0.043 nan 8.230 nan 0.000 0.476 330 K N 2.045 122.384 120.400 -0.103 0.000 2.586 330 K HA 0.012 4.333 4.320 0.003 0.000 0.280 330 K C 0.694 177.255 176.600 -0.065 0.000 0.972 330 K CA 0.399 56.629 56.287 -0.095 0.000 1.040 330 K CB 0.413 32.861 32.500 -0.087 0.000 0.870 330 K HN 0.139 nan 8.250 nan 0.000 0.497 331 G N 3.276 112.041 108.800 -0.059 0.000 2.238 331 G HA2 -0.056 3.906 3.960 0.003 0.000 0.234 331 G HA3 -0.056 3.906 3.960 0.003 0.000 0.234 331 G C -0.539 174.355 174.900 -0.011 0.000 1.181 331 G CA 0.633 45.718 45.100 -0.023 0.000 0.871 331 G HN 0.942 nan 8.290 nan 0.000 0.490 332 K N 1.069 121.472 120.400 0.005 0.000 5.248 332 K HA -0.235 4.087 4.320 0.003 0.000 0.573 332 K C 0.982 177.578 176.600 -0.007 0.000 2.577 332 K CA 1.193 57.483 56.287 0.006 0.000 2.028 332 K CB -0.387 32.118 32.500 0.009 0.000 2.551 332 K HN 0.894 nan 8.250 nan 0.000 0.155 333 E N -2.163 118.034 120.200 -0.004 0.000 3.343 333 E HA -0.261 4.091 4.350 0.003 0.000 0.281 333 E C 0.354 176.945 176.600 -0.015 0.000 0.914 333 E CA 2.027 58.422 56.400 -0.009 0.000 0.884 333 E CB -1.456 28.238 29.700 -0.010 0.000 1.445 333 E HN 0.745 nan 8.360 nan 0.000 0.468 334 G N -0.521 108.268 108.800 -0.018 0.000 2.687 334 G HA2 0.463 4.425 3.960 0.003 0.000 0.301 334 G HA3 0.463 4.425 3.960 0.003 0.000 0.301 334 G C 0.325 175.209 174.900 -0.027 0.000 1.416 334 G CA 0.067 45.152 45.100 -0.026 0.000 1.005 334 G HN 0.005 nan 8.290 nan 0.000 0.509 335 R N 0.796 121.280 120.500 -0.026 0.000 3.453 335 R HA -0.344 3.998 4.340 0.003 0.000 0.550 335 R C 2.300 178.588 176.300 -0.020 0.000 0.360 335 R CA 2.326 58.411 56.100 -0.024 0.000 0.405 335 R CB -1.217 29.064 30.300 -0.032 0.000 0.593 335 R HN 0.503 nan 8.270 nan 0.000 0.257 336 I N 0.112 120.667 120.570 -0.026 0.000 2.148 336 I HA -0.372 3.800 4.170 0.003 0.000 0.229 336 I C 2.525 178.638 176.117 -0.006 0.000 0.993 336 I CA 2.358 63.648 61.300 -0.017 0.000 1.295 336 I CB -1.136 36.848 38.000 -0.026 0.000 1.004 336 I HN 0.464 nan 8.210 nan 0.000 0.386 337 R N 0.055 120.553 120.500 -0.003 0.000 2.090 337 R HA -0.073 4.269 4.340 0.003 0.000 0.228 337 R C 1.860 178.162 176.300 0.002 0.000 1.110 337 R CA 1.356 57.460 56.100 0.008 0.000 0.973 337 R CB -0.260 30.053 30.300 0.022 0.000 0.869 337 R HN 0.521 nan 8.270 nan 0.000 0.440 338 G N -1.112 107.686 108.800 -0.004 0.000 3.277 338 G HA2 0.011 3.973 3.960 0.003 0.000 0.243 338 G HA3 0.011 3.973 3.960 0.003 0.000 0.243 338 G C 0.598 175.494 174.900 -0.007 0.000 1.107 338 G CA -0.248 44.849 45.100 -0.004 0.000 0.771 338 G HN 0.203 nan 8.290 nan 0.000 0.544 339 N N -0.661 118.034 118.700 -0.009 0.000 2.372 339 N HA 0.190 4.932 4.740 0.003 0.000 0.242 339 N C 1.712 177.216 175.510 -0.010 0.000 1.124 339 N CA 0.009 53.053 53.050 -0.009 0.000 0.824 339 N CB 0.640 39.120 38.487 -0.012 0.000 1.468 339 N HN 0.189 nan 8.380 nan 0.000 0.470 340 L N 0.394 121.612 121.223 -0.009 0.000 2.349 340 L HA 0.249 4.591 4.340 0.003 0.000 0.200 340 L C 1.798 178.661 176.870 -0.011 0.000 1.064 340 L CA 0.395 55.229 54.840 -0.010 0.000 0.821 340 L CB -0.053 42.002 42.059 -0.007 0.000 1.027 340 L HN -0.009 nan 8.230 nan 0.000 0.476 341 M N -0.109 119.486 119.600 -0.008 0.000 2.562 341 M HA 0.181 4.663 4.480 0.003 0.000 0.257 341 M C 0.655 176.946 176.300 -0.015 0.000 1.099 341 M CA 0.407 55.701 55.300 -0.009 0.000 1.099 341 M CB -0.555 32.044 32.600 -0.001 0.000 1.427 341 M HN 0.204 nan 8.290 nan 0.000 0.489 342 G N 0.525 109.316 108.800 -0.014 0.000 2.752 342 G HA2 0.541 4.503 3.960 0.003 0.000 0.298 342 G HA3 0.541 4.503 3.960 0.003 0.000 0.298 342 G C -1.229 173.663 174.900 -0.013 0.000 1.434 342 G CA -0.734 44.356 45.100 -0.016 0.000 1.004 342 G HN 0.138 nan 8.290 nan 0.000 0.560 343 K N 0.643 121.033 120.400 -0.017 0.000 2.466 343 K HA 0.600 4.922 4.320 0.003 0.000 0.260 343 K C -0.174 176.425 176.600 -0.002 0.000 1.011 343 K CA -1.064 55.217 56.287 -0.009 0.000 0.871 343 K CB 2.605 35.098 32.500 -0.011 0.000 1.404 343 K HN 0.445 nan 8.250 nan 0.000 0.450 344 R N 0.622 121.128 120.500 0.009 0.000 2.560 344 R HA 0.478 4.820 4.340 0.003 0.000 0.270 344 R C -0.223 176.094 176.300 0.027 0.000 1.074 344 R CA -0.711 55.404 56.100 0.025 0.000 1.140 344 R CB 1.005 31.320 30.300 0.024 0.000 1.073 344 R HN 0.479 nan 8.270 nan 0.000 0.527 345 V N -1.910 118.035 119.914 0.051 0.000 3.206 345 V HA 0.473 4.595 4.120 0.003 0.000 0.305 345 V C -1.201 174.960 176.094 0.112 0.000 1.257 345 V CA -1.119 61.220 62.300 0.065 0.000 1.057 345 V CB 2.515 34.350 31.823 0.019 0.000 1.075 345 V HN 0.584 nan 8.190 nan 0.000 0.443 346 D N 0.656 121.158 120.400 0.169 0.000 2.387 346 D HA 0.580 5.222 4.640 0.003 0.000 0.255 346 D C -0.296 176.229 176.300 0.374 0.000 1.081 346 D CA 0.140 54.238 54.000 0.164 0.000 0.994 346 D CB 0.684 41.574 40.800 0.149 0.000 1.127 346 D HN 0.786 nan 8.370 nan 0.000 0.513 347 F N -0.416 119.594 119.950 0.100 0.000 2.905 347 F HA -0.231 4.298 4.527 0.003 0.000 0.291 347 F C 0.006 175.907 175.800 0.168 0.000 1.002 347 F CA 0.081 58.155 58.000 0.123 0.000 0.978 347 F CB -2.087 36.982 39.000 0.117 0.000 1.036 347 F HN 0.185 nan 8.300 nan 0.000 0.820 348 S N -0.948 114.885 115.700 0.221 0.000 2.536 348 S HA 0.993 5.465 4.470 0.003 0.000 0.271 348 S C -0.571 174.109 174.600 0.132 0.000 1.134 348 S CA -0.364 57.969 58.200 0.222 0.000 0.897 348 S CB 2.396 65.796 63.200 0.332 0.000 1.094 348 S HN 1.308 nan 8.310 nan 0.000 0.473 349 A N 1.595 124.490 122.820 0.125 0.000 2.556 349 A HA 0.967 5.289 4.320 0.003 0.000 0.294 349 A C -0.721 177.016 177.584 0.255 0.000 1.091 349 A CA -0.951 51.200 52.037 0.189 0.000 0.704 349 A CB 1.911 21.079 19.000 0.280 0.000 1.300 349 A HN 1.050 nan 8.150 nan 0.000 0.406 350 R N -0.065 120.592 120.500 0.262 0.000 2.604 350 R HA 0.683 5.025 4.340 0.003 0.000 0.270 350 R C -0.862 175.503 176.300 0.109 0.000 1.052 350 R CA 0.455 56.733 56.100 0.295 0.000 0.902 350 R CB 1.996 32.363 30.300 0.111 0.000 1.233 350 R HN 1.379 nan 8.270 nan 0.000 0.455 351 T N -1.406 113.189 114.554 0.070 0.000 2.647 351 T HA 0.359 4.711 4.350 0.003 0.000 0.302 351 T C -1.053 173.633 174.700 -0.022 0.000 1.389 351 T CA -0.580 61.428 62.100 -0.153 0.000 1.037 351 T CB 0.758 69.326 68.868 -0.501 0.000 1.755 351 T HN 0.199 nan 8.240 nan 0.000 0.467 352 V N 2.121 121.997 119.914 -0.063 0.000 2.644 352 V HA 0.597 4.719 4.120 0.003 0.000 0.295 352 V C 0.500 176.643 176.094 0.081 0.000 1.053 352 V CA -0.800 61.517 62.300 0.029 0.000 0.987 352 V CB 0.923 32.750 31.823 0.007 0.000 1.006 352 V HN 0.886 nan 8.190 nan 0.000 0.472 353 I N 1.457 122.128 120.570 0.168 0.000 2.607 353 I HA 0.925 5.097 4.170 0.003 0.000 0.305 353 I C -0.164 175.960 176.117 0.012 0.000 0.995 353 I CA -0.159 61.264 61.300 0.204 0.000 1.148 353 I CB 2.156 40.371 38.000 0.359 0.000 1.323 353 I HN 0.648 nan 8.210 nan 0.000 0.461 354 S N 2.176 117.661 115.700 -0.359 0.000 2.550 354 S HA 0.697 5.169 4.470 0.003 0.000 0.270 354 S C -0.212 173.611 174.600 -1.295 0.000 1.145 354 S CA -0.748 56.836 58.200 -1.027 0.000 0.852 354 S CB 1.096 64.017 63.200 -0.464 0.000 1.119 354 S HN 1.126 nan 8.310 nan 0.000 0.465 355 G N -0.015 107.702 108.800 -1.806 0.000 2.527 355 G HA2 0.488 4.450 3.960 0.003 0.000 0.248 355 G HA3 0.488 4.450 3.960 0.003 0.000 0.248 355 G C -0.887 173.848 174.900 -0.273 0.000 1.231 355 G CA -0.046 44.671 45.100 -0.639 0.000 0.838 355 G HN 0.726 nan 8.290 nan 0.000 0.570 356 D N 1.288 121.627 120.400 -0.101 0.000 2.584 356 D HA 0.138 4.780 4.640 0.003 0.000 0.238 356 D C -1.955 174.349 176.300 0.006 0.000 1.302 356 D CA -1.062 52.904 54.000 -0.058 0.000 0.884 356 D CB 1.576 42.328 40.800 -0.080 0.000 1.456 356 D HN 0.167 nan 8.370 nan 0.000 0.528 357 P HA -0.025 nan 4.420 nan 0.000 0.261 357 P C 0.197 177.554 177.300 0.094 0.000 1.277 357 P CA 0.320 63.465 63.100 0.074 0.000 0.748 357 P CB 0.189 31.938 31.700 0.081 0.000 1.062 358 N N -0.821 117.922 118.700 0.070 0.000 2.177 358 N HA 0.188 4.929 4.740 0.003 0.000 0.218 358 N C 0.327 175.860 175.510 0.039 0.000 1.182 358 N CA -0.041 53.059 53.050 0.084 0.000 0.882 358 N CB 0.767 39.306 38.487 0.087 0.000 1.052 358 N HN 0.251 nan 8.380 nan 0.000 0.519 359 L N 1.132 122.366 121.223 0.018 0.000 2.334 359 L HA 0.332 4.674 4.340 0.003 0.000 0.275 359 L C 0.696 177.567 176.870 0.003 0.000 1.036 359 L CA -0.786 54.048 54.840 -0.010 0.000 0.807 359 L CB 1.171 43.201 42.059 -0.047 0.000 1.231 359 L HN -0.131 nan 8.230 nan 0.000 0.438 360 E N 0.924 121.122 120.200 -0.004 0.000 2.410 360 E HA -0.024 4.328 4.350 0.003 0.000 0.255 360 E C 0.710 177.305 176.600 -0.008 0.000 1.194 360 E CA -0.276 56.131 56.400 0.012 0.000 0.955 360 E CB 0.772 30.478 29.700 0.010 0.000 0.988 360 E HN 0.400 nan 8.360 nan 0.000 0.461 361 L N 1.859 123.078 121.223 -0.006 0.000 1.970 361 L HA -0.214 4.128 4.340 0.003 0.000 0.212 361 L C 1.477 178.327 176.870 -0.033 0.000 1.071 361 L CA 2.417 57.217 54.840 -0.068 0.000 0.751 361 L CB -0.755 41.202 42.059 -0.171 0.000 0.889 361 L HN 0.575 nan 8.230 nan 0.000 0.432 362 D N -1.203 119.204 120.400 0.012 0.000 2.390 362 D HA -0.110 4.531 4.640 0.003 0.000 0.235 362 D C 0.759 177.117 176.300 0.097 0.000 1.040 362 D CA 0.330 54.392 54.000 0.103 0.000 0.923 362 D CB -0.287 40.547 40.800 0.058 0.000 0.886 362 D HN 0.570 nan 8.370 nan 0.000 0.532 363 Q N -0.713 119.064 119.800 -0.037 0.000 2.298 363 Q HA 0.602 4.944 4.340 0.003 0.000 0.181 363 Q C -0.870 174.940 176.000 -0.316 0.000 1.004 363 Q CA -1.093 54.650 55.803 -0.101 0.000 1.050 363 Q CB 2.201 30.886 28.738 -0.088 0.000 1.254 363 Q HN 0.023 nan 8.270 nan 0.000 0.531 364 V N -0.391 119.344 119.914 -0.298 0.000 2.850 364 V HA 0.324 4.446 4.120 0.003 0.000 0.276 364 V C -1.172 174.767 176.094 -0.259 0.000 1.467 364 V CA -0.419 61.605 62.300 -0.459 0.000 0.926 364 V CB 1.460 32.779 31.823 -0.838 0.000 1.131 364 V HN 0.809 nan 8.190 nan 0.000 0.453 365 G N 5.686 114.383 108.800 -0.171 0.000 2.367 365 G HA2 0.462 4.424 3.960 0.003 0.000 0.282 365 G HA3 0.462 4.424 3.960 0.003 0.000 0.282 365 G C -0.358 174.574 174.900 0.052 0.000 1.140 365 G CA 0.010 45.076 45.100 -0.056 0.000 1.088 365 G HN 0.994 nan 8.290 nan 0.000 0.431 366 V N 6.584 126.524 119.914 0.043 0.000 2.370 366 V HA 0.288 4.410 4.120 0.003 0.000 0.279 366 V C -1.687 174.418 176.094 0.018 0.000 1.029 366 V CA -1.749 60.630 62.300 0.130 0.000 0.870 366 V CB 1.832 33.722 31.823 0.111 0.000 0.984 366 V HN 0.622 nan 8.190 nan 0.000 0.451 367 P HA 0.091 nan 4.420 nan 0.000 0.271 367 P C 0.577 177.811 177.300 -0.109 0.000 1.216 367 P CA -0.210 62.840 63.100 -0.084 0.000 0.771 367 P CB 1.071 32.695 31.700 -0.126 0.000 0.864 368 K N 3.046 123.347 120.400 -0.166 0.000 2.107 368 K HA -0.261 4.061 4.320 0.003 0.000 0.211 368 K C 2.046 178.551 176.600 -0.159 0.000 1.049 368 K CA 2.436 58.577 56.287 -0.245 0.000 0.927 368 K CB -0.579 31.768 32.500 -0.255 0.000 0.714 368 K HN 0.425 nan 8.250 nan 0.000 0.452 369 S N 0.387 116.017 115.700 -0.118 0.000 2.372 369 S HA -0.209 4.263 4.470 0.003 0.000 0.227 369 S C 1.905 176.481 174.600 -0.040 0.000 1.044 369 S CA 1.868 60.021 58.200 -0.078 0.000 1.050 369 S CB -0.387 62.765 63.200 -0.081 0.000 0.901 369 S HN 0.437 nan 8.310 nan 0.000 0.447 370 I N 1.418 121.970 120.570 -0.031 0.000 2.400 370 I HA 0.043 4.215 4.170 0.003 0.000 0.248 370 I C 2.991 179.153 176.117 0.076 0.000 1.109 370 I CA 0.787 62.105 61.300 0.030 0.000 1.425 370 I CB -0.701 37.333 38.000 0.056 0.000 1.094 370 I HN 0.426 nan 8.210 nan 0.000 0.425 371 A N 0.985 123.830 122.820 0.042 0.000 1.986 371 A HA -0.233 4.088 4.320 0.003 0.000 0.220 371 A C 2.235 179.942 177.584 0.205 0.000 1.171 371 A CA 1.708 53.807 52.037 0.103 0.000 0.640 371 A CB -0.462 18.521 19.000 -0.028 0.000 0.811 371 A HN 0.351 nan 8.150 nan 0.000 0.451 372 K N -1.424 119.033 120.400 0.096 0.000 2.365 372 K HA 0.014 4.336 4.320 0.003 0.000 0.197 372 K C 1.602 178.388 176.600 0.310 0.000 1.042 372 K CA 1.153 57.520 56.287 0.133 0.000 0.987 372 K CB 0.010 32.466 32.500 -0.073 0.000 0.779 372 K HN 0.460 nan 8.250 nan 0.000 0.484 373 T N 1.263 115.918 114.554 0.168 0.000 2.925 373 T HA 0.120 4.472 4.350 0.003 0.000 0.245 373 T C 0.806 175.562 174.700 0.092 0.000 1.025 373 T CA 0.225 62.382 62.100 0.095 0.000 1.149 373 T CB 0.152 69.047 68.868 0.045 0.000 0.866 373 T HN 0.001 nan 8.240 nan 0.000 0.437 374 L N 1.751 123.058 121.223 0.141 0.000 2.426 374 L HA 0.368 4.710 4.340 0.003 0.000 0.271 374 L C 0.451 177.460 176.870 0.232 0.000 1.169 374 L CA 0.007 54.952 54.840 0.174 0.000 0.836 374 L CB 0.736 42.923 42.059 0.213 0.000 1.112 374 L HN 0.153 nan 8.230 nan 0.000 0.465 375 T N 1.215 115.957 114.554 0.313 0.000 2.896 375 T HA 0.487 4.839 4.350 0.003 0.000 0.297 375 T C -1.650 173.300 174.700 0.417 0.000 1.108 375 T CA -0.399 61.887 62.100 0.310 0.000 1.004 375 T CB 1.315 70.317 68.868 0.223 0.000 1.159 375 T HN 0.369 nan 8.240 nan 0.000 0.499 376 Y N 4.490 124.877 120.300 0.145 0.000 2.361 376 Y HA 0.591 5.142 4.550 0.002 0.000 0.337 376 Y C -2.587 173.341 175.900 0.046 0.000 0.965 376 Y CA -2.527 55.617 58.100 0.073 0.000 1.091 376 Y CB 2.272 40.766 38.460 0.057 0.000 1.182 376 Y HN 0.340 nan 8.280 nan 0.000 0.450 377 P HA 0.138 nan 4.420 nan 0.000 0.280 377 P C -0.946 175.955 177.300 -0.665 0.000 1.386 377 P CA 0.084 62.881 63.100 -0.505 0.000 0.899 377 P CB 0.983 32.447 31.700 -0.393 0.000 1.098 378 E N 2.686 122.720 120.200 -0.277 0.000 2.214 378 E HA 0.379 4.731 4.350 0.003 0.000 0.274 378 E C -0.826 175.745 176.600 -0.047 0.000 0.977 378 E CA -0.979 55.372 56.400 -0.082 0.000 0.827 378 E CB 1.306 31.071 29.700 0.109 0.000 1.130 378 E HN 0.120 nan 8.360 nan 0.000 0.394 379 V N 3.910 123.816 119.914 -0.012 0.000 2.370 379 V HA 0.180 4.302 4.120 0.003 0.000 0.283 379 V C -0.062 176.032 176.094 0.000 0.000 1.023 379 V CA -1.031 61.269 62.300 0.000 0.000 0.857 379 V CB 1.307 33.131 31.823 0.001 0.000 0.985 379 V HN 0.543 nan 8.190 nan 0.000 0.443 380 V N 4.809 124.722 119.914 -0.002 0.000 2.583 380 V HA 0.063 4.185 4.120 0.003 0.000 0.302 380 V C 0.711 176.722 176.094 -0.137 0.000 1.033 380 V CA 1.290 63.539 62.300 -0.084 0.000 1.194 380 V CB 0.321 32.075 31.823 -0.115 0.000 0.879 380 V HN 1.048 nan 8.190 nan 0.000 0.482 381 T N 7.676 122.115 114.554 -0.192 0.000 2.933 381 T HA 0.401 4.753 4.350 0.003 0.000 0.305 381 T C -1.668 172.870 174.700 -0.270 0.000 1.092 381 T CA -0.905 61.062 62.100 -0.222 0.000 1.008 381 T CB 2.263 70.979 68.868 -0.253 0.000 1.102 381 T HN 0.443 nan 8.240 nan 0.000 0.469 382 P HA -0.211 nan 4.420 nan 0.000 0.218 382 P C 1.058 178.407 177.300 0.082 0.000 1.150 382 P CA 1.675 64.800 63.100 0.042 0.000 0.841 382 P CB -0.042 31.806 31.700 0.248 0.000 0.784 383 Y N 0.942 121.270 120.300 0.048 0.000 2.256 383 Y HA -0.214 4.338 4.550 0.003 0.000 0.288 383 Y C 2.408 178.309 175.900 0.001 0.000 1.155 383 Y CA 1.007 59.123 58.100 0.025 0.000 1.203 383 Y CB -0.842 37.636 38.460 0.029 0.000 0.980 383 Y HN 0.242 nan 8.280 nan 0.000 0.530 384 N N -1.412 117.348 118.700 0.100 0.000 2.516 384 N HA -0.048 4.694 4.740 0.003 0.000 0.197 384 N C 1.338 176.827 175.510 -0.036 0.000 1.064 384 N CA 0.107 53.180 53.050 0.037 0.000 0.866 384 N CB -0.613 37.899 38.487 0.043 0.000 1.255 384 N HN -0.001 nan 8.380 nan 0.000 0.447 385 I N 2.234 122.730 120.570 -0.124 0.000 3.642 385 I HA -0.490 3.682 4.170 0.003 0.000 0.171 385 I C 1.165 177.217 176.117 -0.107 0.000 0.746 385 I CA 2.381 63.568 61.300 -0.189 0.000 1.031 385 I CB -1.072 36.752 38.000 -0.294 0.000 0.825 385 I HN 0.336 nan 8.210 nan 0.000 0.296 386 D N -0.314 120.044 120.400 -0.070 0.000 2.182 386 D HA -0.264 4.378 4.640 0.003 0.000 0.193 386 D C 2.052 178.335 176.300 -0.027 0.000 0.999 386 D CA 2.056 56.032 54.000 -0.040 0.000 0.850 386 D CB -0.578 40.212 40.800 -0.018 0.000 0.994 386 D HN 0.424 nan 8.370 nan 0.000 0.450 387 R N 0.674 121.167 120.500 -0.012 0.000 2.134 387 R HA -0.195 4.147 4.340 0.003 0.000 0.248 387 R C 2.706 179.003 176.300 -0.006 0.000 1.143 387 R CA 1.312 57.410 56.100 -0.003 0.000 0.957 387 R CB -0.600 29.706 30.300 0.010 0.000 0.867 387 R HN 0.168 nan 8.270 nan 0.000 0.441 388 L N -0.167 121.048 121.223 -0.012 0.000 2.012 388 L HA -0.188 4.154 4.340 0.003 0.000 0.210 388 L C 2.402 179.264 176.870 -0.014 0.000 1.073 388 L CA 2.048 56.882 54.840 -0.010 0.000 0.748 388 L CB -0.385 41.660 42.059 -0.022 0.000 0.891 388 L HN 0.373 nan 8.230 nan 0.000 0.431 389 T N -1.805 112.729 114.554 -0.032 0.000 2.833 389 T HA -0.250 4.102 4.350 0.003 0.000 0.269 389 T C 1.704 176.397 174.700 -0.011 0.000 1.054 389 T CA 1.134 63.217 62.100 -0.027 0.000 1.135 389 T CB -0.157 68.683 68.868 -0.046 0.000 0.869 389 T HN 0.195 nan 8.240 nan 0.000 0.466 390 Q N 1.263 121.057 119.800 -0.011 0.000 2.020 390 Q HA 0.032 4.374 4.340 0.003 0.000 0.202 390 Q C 2.147 178.148 176.000 0.001 0.000 0.982 390 Q CA 1.483 57.283 55.803 -0.005 0.000 0.838 390 Q CB -0.843 27.892 28.738 -0.006 0.000 0.899 390 Q HN 0.524 nan 8.270 nan 0.000 0.423 391 L N -0.623 120.602 121.223 0.003 0.000 2.013 391 L HA -0.219 4.123 4.340 0.003 0.000 0.212 391 L C 2.336 179.216 176.870 0.017 0.000 1.073 391 L CA 1.282 56.129 54.840 0.012 0.000 0.753 391 L CB -0.693 41.375 42.059 0.015 0.000 0.890 391 L HN 0.115 nan 8.230 nan 0.000 0.432 392 V N -0.570 119.353 119.914 0.015 0.000 2.343 392 V HA -0.281 3.841 4.120 0.003 0.000 0.247 392 V C 2.607 178.714 176.094 0.022 0.000 1.051 392 V CA 1.702 64.014 62.300 0.021 0.000 1.036 392 V CB -0.707 31.134 31.823 0.030 0.000 0.654 392 V HN 0.392 nan 8.190 nan 0.000 0.451 393 R N 0.129 120.639 120.500 0.016 0.000 2.073 393 R HA -0.142 4.200 4.340 0.003 0.000 0.234 393 R C 2.358 178.669 176.300 0.018 0.000 1.134 393 R CA 1.575 57.685 56.100 0.016 0.000 0.952 393 R CB -0.465 29.840 30.300 0.008 0.000 0.850 393 R HN 0.516 nan 8.270 nan 0.000 0.433 394 N N -0.064 118.646 118.700 0.017 0.000 2.192 394 N HA -0.118 4.624 4.740 0.003 0.000 0.188 394 N C 0.990 176.519 175.510 0.033 0.000 1.013 394 N CA 1.541 54.603 53.050 0.020 0.000 0.863 394 N CB -0.136 38.361 38.487 0.016 0.000 0.990 394 N HN 0.413 nan 8.380 nan 0.000 0.430 395 G N -0.437 108.386 108.800 0.038 0.000 2.685 395 G HA2 -0.149 3.813 3.960 0.003 0.000 0.387 395 G HA3 -0.149 3.813 3.960 0.003 0.000 0.387 395 G C -2.460 172.489 174.900 0.082 0.000 1.324 395 G CA -0.128 44.997 45.100 0.042 0.000 0.878 395 G HN 0.116 nan 8.290 nan 0.000 0.527 396 P HA 0.201 nan 4.420 nan 0.000 0.263 396 P C 0.469 177.866 177.300 0.161 0.000 1.448 396 P CA 0.254 63.432 63.100 0.131 0.000 0.983 396 P CB 0.237 31.915 31.700 -0.037 0.000 1.481 397 N N -0.526 118.233 118.700 0.099 0.000 2.503 397 N HA 0.063 4.805 4.740 0.003 0.000 0.210 397 N C 0.734 176.251 175.510 0.012 0.000 1.077 397 N CA 0.212 53.290 53.050 0.046 0.000 0.855 397 N CB 0.058 38.564 38.487 0.032 0.000 1.323 397 N HN 0.133 nan 8.380 nan 0.000 0.452 398 E N -0.097 120.113 120.200 0.017 0.000 2.391 398 E HA -0.037 4.315 4.350 0.003 0.000 0.255 398 E C 0.358 176.931 176.600 -0.044 0.000 1.187 398 E CA -0.014 56.384 56.400 -0.003 0.000 0.941 398 E CB 0.782 30.484 29.700 0.003 0.000 1.010 398 E HN 0.285 nan 8.360 nan 0.000 0.458 399 H N 1.489 120.479 119.070 -0.133 0.000 2.390 399 H HA 0.065 4.622 4.556 0.002 0.000 0.314 399 H C -1.770 173.450 175.328 -0.180 0.000 1.053 399 H CA 0.401 56.309 56.048 -0.233 0.000 1.353 399 H CB -1.104 28.561 29.762 -0.161 0.000 1.464 399 H HN 0.252 nan 8.280 nan 0.000 0.571 400 P HA 0.149 nan 4.420 nan 0.000 0.250 400 P C -0.498 176.693 177.300 -0.182 0.000 1.198 400 P CA 1.176 63.927 63.100 -0.583 0.000 1.118 400 P CB -0.006 31.531 31.700 -0.271 0.000 1.208 401 G N 1.317 110.140 108.800 0.038 0.000 2.650 401 G HA2 0.772 4.734 3.960 0.003 0.000 0.310 401 G HA3 0.772 4.734 3.960 0.003 0.000 0.310 401 G C -1.845 173.196 174.900 0.236 0.000 1.270 401 G CA -0.092 45.123 45.100 0.191 0.000 0.810 401 G HN 0.482 nan 8.290 nan 0.000 0.493 402 A N -1.119 121.698 122.820 -0.004 0.000 2.567 402 A HA 0.866 5.188 4.320 0.003 0.000 0.289 402 A C -0.469 176.946 177.584 -0.282 0.000 1.177 402 A CA 0.103 51.985 52.037 -0.258 0.000 0.694 402 A CB 1.462 20.410 19.000 -0.087 0.000 1.292 402 A HN 1.379 nan 8.150 nan 0.000 0.425 403 K N -0.933 119.298 120.400 -0.282 0.000 2.684 403 K HA 0.518 4.840 4.320 0.003 0.000 0.189 403 K C -1.288 175.132 176.600 -0.300 0.000 1.154 403 K CA -0.089 56.013 56.287 -0.308 0.000 1.109 403 K CB 0.385 32.622 32.500 -0.439 0.000 0.826 403 K HN 0.559 nan 8.250 nan 0.000 0.501 404 Y N 0.130 120.378 120.300 -0.086 0.000 2.318 404 Y HA 0.204 4.757 4.550 0.005 0.000 0.317 404 Y C -1.419 174.451 175.900 -0.049 0.000 1.290 404 Y CA -1.361 56.696 58.100 -0.072 0.000 1.177 404 Y CB 2.017 40.435 38.460 -0.071 0.000 1.307 404 Y HN -0.192 nan 8.280 nan 0.000 0.428 405 V N 5.746 125.738 119.914 0.130 0.000 2.628 405 V HA 0.598 4.720 4.120 0.003 0.000 0.306 405 V C -0.389 175.663 176.094 -0.070 0.000 1.045 405 V CA -0.685 61.653 62.300 0.063 0.000 0.905 405 V CB 2.076 33.973 31.823 0.123 0.000 0.997 405 V HN 0.506 nan 8.190 nan 0.000 0.436 406 I N 2.285 122.780 120.570 -0.125 0.000 2.512 406 I HA 0.696 4.868 4.170 0.003 0.000 0.287 406 I C -0.374 175.450 176.117 -0.488 0.000 1.069 406 I CA -0.906 60.222 61.300 -0.286 0.000 1.056 406 I CB 1.830 39.697 38.000 -0.221 0.000 1.229 406 I HN 0.485 nan 8.210 nan 0.000 0.429 407 R N 2.362 122.323 120.500 -0.898 0.000 2.549 407 R HA 0.352 4.694 4.340 0.003 0.000 0.259 407 R C 0.657 176.548 176.300 -0.681 0.000 1.095 407 R CA -0.536 54.643 56.100 -1.535 0.000 1.148 407 R CB 0.388 29.474 30.300 -2.024 0.000 1.181 407 R HN 0.711 nan 8.270 nan 0.000 0.571 408 D N 0.088 120.216 120.400 -0.454 0.000 2.149 408 D HA -0.261 4.381 4.640 0.003 0.000 0.194 408 D C 1.134 177.336 176.300 -0.164 0.000 1.001 408 D CA 1.795 55.702 54.000 -0.155 0.000 0.849 408 D CB -0.564 40.240 40.800 0.008 0.000 0.939 408 D HN 0.480 nan 8.370 nan 0.000 0.449 409 S N -0.181 115.404 115.700 -0.191 0.000 2.795 409 S HA 0.113 4.585 4.470 0.003 0.000 0.236 409 S C 1.573 176.081 174.600 -0.153 0.000 0.973 409 S CA 0.199 58.313 58.200 -0.143 0.000 0.982 409 S CB -1.562 61.560 63.200 -0.131 0.000 0.786 409 S HN 0.658 nan 8.310 nan 0.000 0.538 410 G N 0.768 109.463 108.800 -0.175 0.000 2.357 410 G HA2 -0.208 3.754 3.960 0.003 0.000 0.282 410 G HA3 -0.208 3.754 3.960 0.003 0.000 0.282 410 G C -0.457 174.347 174.900 -0.159 0.000 0.910 410 G CA 0.491 45.498 45.100 -0.156 0.000 1.267 410 G HN 0.722 nan 8.290 nan 0.000 0.476 411 D N -0.665 119.610 120.400 -0.208 0.000 2.879 411 D HA 0.474 5.115 4.640 0.003 0.000 0.236 411 D C 0.346 176.508 176.300 -0.230 0.000 1.171 411 D CA -0.800 53.086 54.000 -0.190 0.000 0.868 411 D CB 0.991 41.689 40.800 -0.170 0.000 1.598 411 D HN 0.374 nan 8.370 nan 0.000 0.497 412 R N 3.213 123.581 120.500 -0.220 0.000 2.254 412 R HA 0.502 4.844 4.340 0.003 0.000 0.318 412 R C -0.141 176.048 176.300 -0.185 0.000 1.031 412 R CA -0.540 55.390 56.100 -0.284 0.000 0.905 412 R CB 1.079 31.130 30.300 -0.414 0.000 1.050 412 R HN 0.400 nan 8.270 nan 0.000 0.456 413 I N 2.603 123.096 120.570 -0.129 0.000 2.307 413 I HA 0.047 4.219 4.170 0.003 0.000 0.289 413 I C 0.063 176.249 176.117 0.115 0.000 1.021 413 I CA -0.536 60.754 61.300 -0.016 0.000 1.224 413 I CB 1.063 39.063 38.000 0.000 0.000 1.376 413 I HN 0.455 nan 8.210 nan 0.000 0.470 414 D N 7.333 127.810 120.400 0.127 0.000 2.402 414 D HA 0.114 4.756 4.640 0.003 0.000 0.235 414 D C 1.199 177.501 176.300 0.004 0.000 1.226 414 D CA -0.004 54.110 54.000 0.191 0.000 0.918 414 D CB 0.952 41.762 40.800 0.016 0.000 1.043 414 D HN 0.496 nan 8.370 nan 0.000 0.506 415 L N 3.537 124.762 121.223 0.004 0.000 2.197 415 L HA -0.244 4.098 4.340 0.003 0.000 0.215 415 L C 2.324 179.171 176.870 -0.039 0.000 1.095 415 L CA 1.223 56.048 54.840 -0.024 0.000 0.764 415 L CB -0.227 41.807 42.059 -0.042 0.000 0.897 415 L HN 0.420 nan 8.230 nan 0.000 0.436 416 R N -1.699 118.715 120.500 -0.143 0.000 2.236 416 R HA -0.028 4.314 4.340 0.003 0.000 0.208 416 R C 1.010 177.518 176.300 0.347 0.000 1.036 416 R CA 0.693 56.787 56.100 -0.009 0.000 1.001 416 R CB -0.192 30.042 30.300 -0.109 0.000 0.896 416 R HN 0.380 nan 8.270 nan 0.000 0.464 417 Y N 0.941 121.250 120.300 0.016 0.000 2.710 417 Y HA 0.150 4.699 4.550 -0.000 0.000 0.117 417 Y C 0.730 176.645 175.900 0.025 0.000 0.875 417 Y CA -0.729 57.383 58.100 0.020 0.000 1.795 417 Y CB -0.338 38.137 38.460 0.024 0.000 1.154 417 Y HN 0.026 nan 8.280 nan 0.000 0.308 418 S N 2.230 118.069 115.700 0.232 0.000 4.412 418 S HA -0.240 4.232 4.470 0.003 0.000 0.380 418 S C 0.631 175.288 174.600 0.094 0.000 0.805 418 S CA 0.642 58.918 58.200 0.126 0.000 1.256 418 S CB -0.426 62.830 63.200 0.093 0.000 2.159 418 S HN 0.673 nan 8.310 nan 0.000 0.379 419 K N 4.095 124.539 120.400 0.072 0.000 2.520 419 K HA -0.137 4.185 4.320 0.003 0.000 0.198 419 K C 1.415 178.046 176.600 0.051 0.000 1.045 419 K CA 1.741 58.060 56.287 0.054 0.000 0.934 419 K CB -0.186 32.339 32.500 0.040 0.000 0.766 419 K HN 0.731 nan 8.250 nan 0.000 0.483 420 R N 0.002 120.537 120.500 0.058 0.000 2.393 420 R HA 0.229 4.571 4.340 0.003 0.000 0.244 420 R C 1.781 178.115 176.300 0.058 0.000 0.920 420 R CA 0.345 56.479 56.100 0.056 0.000 1.076 420 R CB 0.212 30.549 30.300 0.062 0.000 1.119 420 R HN 0.261 nan 8.270 nan 0.000 0.524 421 A N 1.481 124.337 122.820 0.060 0.000 1.901 421 A HA -0.280 4.042 4.320 0.003 0.000 0.227 421 A C 2.173 179.785 177.584 0.047 0.000 1.551 421 A CA 2.378 54.449 52.037 0.057 0.000 0.769 421 A CB -1.522 17.513 19.000 0.058 0.000 0.845 421 A HN 0.464 nan 8.150 nan 0.000 0.481 422 G N -1.416 107.408 108.800 0.039 0.000 2.559 422 G HA2 -0.058 3.904 3.960 0.003 0.000 0.216 422 G HA3 -0.058 3.904 3.960 0.003 0.000 0.216 422 G C 1.071 175.988 174.900 0.029 0.000 1.126 422 G CA 1.244 46.363 45.100 0.031 0.000 0.778 422 G HN 0.669 nan 8.290 nan 0.000 0.543 423 D N 0.866 121.287 120.400 0.035 0.000 1.761 423 D HA -0.044 4.598 4.640 0.003 0.000 0.299 423 D C 1.193 177.514 176.300 0.035 0.000 1.042 423 D CA 0.045 54.065 54.000 0.033 0.000 0.906 423 D CB -0.248 40.576 40.800 0.040 0.000 1.328 423 D HN 0.195 nan 8.370 nan 0.000 0.486 424 I N 0.424 121.026 120.570 0.054 0.000 4.483 424 I HA -0.285 3.887 4.170 0.003 0.000 0.126 424 I C -0.452 175.675 176.117 0.016 0.000 1.103 424 I CA 0.283 61.624 61.300 0.069 0.000 2.686 424 I CB -0.446 37.617 38.000 0.104 0.000 1.678 424 I HN 0.318 nan 8.210 nan 0.000 0.331 425 Q N 6.823 126.607 119.800 -0.026 0.000 2.316 425 Q HA 0.688 5.030 4.340 0.003 0.000 0.264 425 Q C -0.346 175.501 176.000 -0.256 0.000 0.987 425 Q CA -0.928 54.806 55.803 -0.115 0.000 0.852 425 Q CB 2.329 30.995 28.738 -0.120 0.000 1.287 425 Q HN 0.535 nan 8.270 nan 0.000 0.448 426 L N 1.434 122.483 121.223 -0.289 0.000 2.456 426 L HA 0.298 4.640 4.340 0.003 0.000 0.257 426 L C 0.433 176.857 176.870 -0.743 0.000 1.162 426 L CA -0.421 54.142 54.840 -0.462 0.000 0.808 426 L CB 0.519 42.414 42.059 -0.273 0.000 1.136 426 L HN 0.405 nan 8.230 nan 0.000 0.466 427 Q N 0.951 120.090 119.800 -1.102 0.000 2.304 427 Q HA 0.309 4.651 4.340 0.003 0.000 0.270 427 Q C -1.439 174.256 176.000 -0.509 0.000 1.035 427 Q CA -0.787 54.433 55.803 -0.973 0.000 0.781 427 Q CB 2.145 29.881 28.738 -1.671 0.000 1.261 427 Q HN 0.317 nan 8.270 nan 0.000 0.444 428 Y N 0.606 120.732 120.300 -0.290 0.000 2.895 428 Y HA 0.097 4.650 4.550 0.005 0.000 0.334 428 Y C 1.647 177.510 175.900 -0.062 0.000 1.261 428 Y CA 2.265 60.275 58.100 -0.151 0.000 1.560 428 Y CB 0.141 38.523 38.460 -0.130 0.000 1.253 428 Y HN 1.001 nan 8.280 nan 0.000 0.582 429 G N 0.504 109.390 108.800 0.145 0.000 2.339 429 G HA2 -0.241 3.721 3.960 0.003 0.000 0.209 429 G HA3 -0.241 3.721 3.960 0.003 0.000 0.209 429 G C -0.090 174.980 174.900 0.282 0.000 1.015 429 G CA -0.508 44.705 45.100 0.188 0.000 0.635 429 G HN 0.485 nan 8.290 nan 0.000 0.499 430 W N 1.711 122.995 121.300 -0.026 0.000 2.079 430 W HA 0.714 5.374 4.660 0.000 0.000 0.354 430 W C 0.837 177.323 176.519 -0.056 0.000 1.302 430 W CA -0.206 57.114 57.345 -0.042 0.000 1.281 430 W CB 0.324 29.758 29.460 -0.043 0.000 1.165 430 W HN 0.139 nan 8.180 nan 0.000 0.603 431 K N 0.105 120.596 120.400 0.152 0.000 2.281 431 K HA 0.667 4.989 4.320 0.003 0.000 0.242 431 K C -1.333 175.302 176.600 0.058 0.000 0.971 431 K CA -0.919 55.397 56.287 0.049 0.000 0.834 431 K CB 2.071 34.551 32.500 -0.034 0.000 1.181 431 K HN 0.084 nan 8.250 nan 0.000 0.435 432 V N 2.468 122.399 119.914 0.028 0.000 2.443 432 V HA 0.119 4.240 4.120 0.003 0.000 0.272 432 V C -0.720 175.390 176.094 0.026 0.000 1.002 432 V CA -0.845 61.481 62.300 0.044 0.000 0.840 432 V CB 1.002 32.855 31.823 0.050 0.000 1.042 432 V HN 0.720 nan 8.190 nan 0.000 0.446 433 E N 4.868 125.095 120.200 0.045 0.000 2.606 433 E HA 0.082 4.434 4.350 0.003 0.000 0.248 433 E C 0.267 176.880 176.600 0.021 0.000 1.005 433 E CA 0.238 56.674 56.400 0.060 0.000 0.946 433 E CB 0.709 30.512 29.700 0.172 0.000 0.928 433 E HN 0.750 nan 8.360 nan 0.000 0.494 434 R N 2.430 122.949 120.500 0.031 0.000 2.960 434 R HA 0.447 4.789 4.340 0.003 0.000 0.249 434 R C 0.011 176.298 176.300 -0.021 0.000 1.192 434 R CA -0.905 55.178 56.100 -0.030 0.000 1.035 434 R CB 0.822 31.156 30.300 0.056 0.000 1.234 434 R HN 0.380 nan 8.270 nan 0.000 0.493 435 H N 0.279 119.396 119.070 0.079 0.000 2.615 435 H HA 0.165 4.721 4.556 0.001 0.000 0.363 435 H C 0.428 175.840 175.328 0.140 0.000 1.148 435 H CA -0.235 55.877 56.048 0.106 0.000 1.401 435 H CB 0.721 30.519 29.762 0.060 0.000 1.461 435 H HN 0.278 nan 8.280 nan 0.000 0.588 436 I N 2.849 123.607 120.570 0.314 0.000 2.710 436 I HA -0.052 4.120 4.170 0.003 0.000 0.286 436 I C 0.934 177.182 176.117 0.218 0.000 1.181 436 I CA 0.787 62.217 61.300 0.216 0.000 1.430 436 I CB -0.329 37.786 38.000 0.192 0.000 1.367 436 I HN 0.398 nan 8.210 nan 0.000 0.577 437 M N 3.170 122.846 119.600 0.127 0.000 2.755 437 M HA 0.329 4.811 4.480 0.003 0.000 0.298 437 M C -0.554 175.793 176.300 0.078 0.000 1.251 437 M CA -1.112 54.266 55.300 0.131 0.000 0.817 437 M CB 1.355 33.999 32.600 0.074 0.000 1.760 437 M HN 0.286 nan 8.290 nan 0.000 0.473 438 D N 2.218 122.666 120.400 0.080 0.000 2.479 438 D HA 0.062 4.704 4.640 0.003 0.000 0.257 438 D C -0.198 176.108 176.300 0.009 0.000 1.230 438 D CA 1.352 55.374 54.000 0.037 0.000 0.912 438 D CB -0.135 40.684 40.800 0.033 0.000 1.130 438 D HN 0.605 nan 8.370 nan 0.000 0.515 439 N N 1.190 119.887 118.700 -0.005 0.000 3.041 439 N HA -0.147 4.595 4.740 0.003 0.000 0.238 439 N C -1.290 174.195 175.510 -0.041 0.000 1.005 439 N CA 0.279 53.317 53.050 -0.020 0.000 0.919 439 N CB -0.699 37.778 38.487 -0.017 0.000 1.104 439 N HN 0.374 nan 8.380 nan 0.000 0.551 440 D N 1.301 121.672 120.400 -0.049 0.000 2.312 440 D HA 0.206 4.848 4.640 0.003 0.000 0.252 440 D C -2.086 174.172 176.300 -0.071 0.000 1.150 440 D CA -1.020 52.918 54.000 -0.103 0.000 0.870 440 D CB 0.761 41.488 40.800 -0.122 0.000 1.153 440 D HN 0.154 nan 8.370 nan 0.000 0.457 441 P HA 0.061 nan 4.420 nan 0.000 0.276 441 P C -0.546 176.736 177.300 -0.030 0.000 1.230 441 P CA -0.349 62.724 63.100 -0.045 0.000 0.776 441 P CB 1.048 32.720 31.700 -0.047 0.000 0.888 442 V N 1.289 121.199 119.914 -0.007 0.000 3.078 442 V HA 0.465 4.587 4.120 0.003 0.000 0.311 442 V C -0.706 175.406 176.094 0.030 0.000 1.138 442 V CA -1.223 61.091 62.300 0.023 0.000 1.007 442 V CB 2.493 34.336 31.823 0.032 0.000 1.045 442 V HN 0.398 nan 8.190 nan 0.000 0.432 443 L N 3.020 124.286 121.223 0.072 0.000 2.265 443 L HA 0.557 4.899 4.340 0.003 0.000 0.288 443 L C -1.221 175.729 176.870 0.134 0.000 1.058 443 L CA -0.078 54.813 54.840 0.084 0.000 0.809 443 L CB 1.038 43.166 42.059 0.115 0.000 1.179 443 L HN 0.853 nan 8.230 nan 0.000 0.429 444 F N 6.531 126.417 119.950 -0.107 0.000 2.470 444 F HA 0.540 5.069 4.527 0.003 0.000 0.329 444 F C 0.055 175.756 175.800 -0.165 0.000 1.072 444 F CA -0.678 57.219 58.000 -0.172 0.000 0.989 444 F CB 1.422 40.414 39.000 -0.013 0.000 1.193 444 F HN 0.624 nan 8.300 nan 0.000 0.481 445 N N 3.291 121.567 118.700 -0.705 0.000 2.859 445 N HA 0.280 5.022 4.740 0.003 0.000 0.250 445 N C -2.193 172.964 175.510 -0.588 0.000 1.341 445 N CA -0.714 52.053 53.050 -0.471 0.000 0.881 445 N CB 2.199 40.611 38.487 -0.124 0.000 1.516 445 N HN 0.812 nan 8.380 nan 0.000 0.503 446 R N 1.823 122.145 120.500 -0.296 0.000 2.483 446 R HA 0.328 4.670 4.340 0.003 0.000 0.303 446 R C -0.910 175.353 176.300 -0.062 0.000 0.987 446 R CA -0.387 55.593 56.100 -0.201 0.000 0.881 446 R CB 1.221 31.437 30.300 -0.139 0.000 1.177 446 R HN 0.561 nan 8.270 nan 0.000 0.451 447 Q N 4.500 124.263 119.800 -0.062 0.000 2.340 447 Q HA 0.290 4.632 4.340 0.003 0.000 0.249 447 Q C -1.922 174.067 176.000 -0.018 0.000 0.957 447 Q CA -1.821 53.966 55.803 -0.026 0.000 0.882 447 Q CB 0.865 29.590 28.738 -0.022 0.000 1.235 447 Q HN 0.497 nan 8.270 nan 0.000 0.439 448 P HA 0.026 nan 4.420 nan 0.000 0.271 448 P C -1.026 176.270 177.300 -0.006 0.000 1.216 448 P CA -0.122 62.970 63.100 -0.013 0.000 0.771 448 P CB 0.891 32.580 31.700 -0.020 0.000 0.864 449 S N 3.056 118.753 115.700 -0.006 0.000 2.430 449 S HA 0.350 4.822 4.470 0.003 0.000 0.289 449 S C 0.314 174.901 174.600 -0.021 0.000 1.143 449 S CA -0.394 57.810 58.200 0.006 0.000 1.067 449 S CB 0.025 63.232 63.200 0.012 0.000 0.964 449 S HN 0.350 nan 8.310 nan 0.000 0.485 450 L N 1.839 123.041 121.223 -0.036 0.000 3.313 450 L HA 0.532 4.874 4.340 0.003 0.000 0.339 450 L C -0.401 176.381 176.870 -0.146 0.000 1.309 450 L CA -0.186 54.591 54.840 -0.105 0.000 0.867 450 L CB -1.221 40.742 42.059 -0.159 0.000 1.316 450 L HN 0.637 nan 8.230 nan 0.000 0.604 451 H N -1.146 117.888 119.070 -0.059 0.000 3.017 451 H HA 0.420 4.978 4.556 0.003 0.000 0.346 451 H C 0.219 175.504 175.328 -0.072 0.000 1.286 451 H CA -0.775 55.228 56.048 -0.075 0.000 1.120 451 H CB 2.552 32.270 29.762 -0.074 0.000 1.860 451 H HN -0.062 nan 8.280 nan 0.000 0.542 452 K N 1.029 121.470 120.400 0.067 0.000 2.026 452 K HA -0.118 4.204 4.320 0.003 0.000 0.208 452 K C 1.361 177.945 176.600 -0.025 0.000 1.048 452 K CA 1.816 58.094 56.287 -0.015 0.000 0.929 452 K CB -0.033 32.431 32.500 -0.060 0.000 0.713 452 K HN 0.463 nan 8.250 nan 0.000 0.439 453 M N 0.602 120.142 119.600 -0.099 0.000 2.629 453 M HA -0.083 4.399 4.480 0.003 0.000 0.257 453 M C 1.737 177.979 176.300 -0.096 0.000 1.071 453 M CA 0.981 56.164 55.300 -0.195 0.000 1.077 453 M CB -0.056 32.288 32.600 -0.426 0.000 1.423 453 M HN -0.113 nan 8.290 nan 0.000 0.508 454 S N -0.149 115.601 115.700 0.083 0.000 2.515 454 S HA 0.182 4.654 4.470 0.003 0.000 0.231 454 S C 0.629 175.385 174.600 0.259 0.000 0.987 454 S CA 0.705 59.018 58.200 0.188 0.000 0.936 454 S CB -0.062 63.224 63.200 0.143 0.000 0.766 454 S HN 0.426 nan 8.310 nan 0.000 0.528 455 M N 1.222 120.922 119.600 0.167 0.000 2.165 455 M HA 0.454 4.936 4.480 0.003 0.000 0.283 455 M C -1.147 175.219 176.300 0.110 0.000 0.978 455 M CA 0.162 55.565 55.300 0.171 0.000 0.948 455 M CB 1.956 34.606 32.600 0.083 0.000 1.599 455 M HN 0.055 nan 8.290 nan 0.000 0.450 456 M N 1.524 121.219 119.600 0.159 0.000 2.658 456 M HA 0.817 5.299 4.480 0.003 0.000 0.295 456 M C -0.539 175.654 176.300 -0.179 0.000 1.248 456 M CA -0.851 54.420 55.300 -0.049 0.000 0.843 456 M CB 2.610 35.131 32.600 -0.132 0.000 1.749 456 M HN 0.710 nan 8.290 nan 0.000 0.464 457 A N 0.740 123.425 122.820 -0.226 0.000 2.306 457 A HA 0.731 5.053 4.320 0.003 0.000 0.314 457 A C -1.091 176.290 177.584 -0.339 0.000 1.164 457 A CA -0.466 51.446 52.037 -0.209 0.000 0.822 457 A CB 0.382 19.325 19.000 -0.095 0.000 1.130 457 A HN 0.821 nan 8.150 nan 0.000 0.496 458 H N 0.723 119.787 119.070 -0.009 0.000 2.855 458 H HA 0.438 4.995 4.556 0.003 0.000 0.363 458 H C -0.521 174.762 175.328 -0.076 0.000 1.185 458 H CA -0.674 55.337 56.048 -0.062 0.000 1.174 458 H CB 1.310 30.978 29.762 -0.157 0.000 1.857 458 H HN 0.698 nan 8.280 nan 0.000 0.565 459 R N 0.578 121.124 120.500 0.077 0.000 2.308 459 R HA 0.326 4.668 4.340 0.003 0.000 0.305 459 R C -0.366 175.922 176.300 -0.020 0.000 1.053 459 R CA -0.626 55.479 56.100 0.009 0.000 0.957 459 R CB 1.152 31.451 30.300 -0.001 0.000 1.022 459 R HN 0.151 nan 8.270 nan 0.000 0.461 460 V N 3.998 123.897 119.914 -0.024 0.000 2.530 460 V HA 0.102 4.224 4.120 0.003 0.000 0.282 460 V C 0.129 176.207 176.094 -0.026 0.000 1.048 460 V CA 0.231 62.511 62.300 -0.033 0.000 0.997 460 V CB 1.184 33.003 31.823 -0.007 0.000 0.987 460 V HN 0.502 nan 8.190 nan 0.000 0.477 461 K N 5.006 125.382 120.400 -0.041 0.000 2.616 461 K HA 0.343 4.665 4.320 0.003 0.000 0.241 461 K C -1.074 175.505 176.600 -0.035 0.000 0.961 461 K CA -0.485 55.782 56.287 -0.033 0.000 0.942 461 K CB 1.513 33.985 32.500 -0.047 0.000 1.153 461 K HN 0.443 nan 8.250 nan 0.000 0.452 462 V N 6.139 126.032 119.914 -0.035 0.000 2.529 462 V HA 0.211 4.333 4.120 0.003 0.000 0.292 462 V C 0.864 176.905 176.094 -0.088 0.000 1.028 462 V CA -0.129 62.116 62.300 -0.092 0.000 1.074 462 V CB -0.425 31.281 31.823 -0.195 0.000 0.958 462 V HN 0.583 nan 8.190 nan 0.000 0.481 463 I N 3.227 123.748 120.570 -0.082 0.000 3.074 463 I HA 0.747 4.919 4.170 0.003 0.000 0.310 463 I C -2.576 173.509 176.117 -0.054 0.000 1.153 463 I CA -2.532 58.740 61.300 -0.046 0.000 0.993 463 I CB 2.490 40.485 38.000 -0.008 0.000 1.237 463 I HN 0.363 nan 8.210 nan 0.000 0.443 464 P HA 0.217 nan 4.420 nan 0.000 0.302 464 P C -0.783 176.527 177.300 0.016 0.000 1.301 464 P CA 0.334 63.376 63.100 -0.097 0.000 0.745 464 P CB 0.280 31.874 31.700 -0.177 0.000 1.331 465 Y N -2.941 117.312 120.300 -0.079 0.000 2.537 465 Y HA -0.238 4.316 4.550 0.006 0.000 0.382 465 Y C 1.436 177.274 175.900 -0.103 0.000 1.683 465 Y CA 1.117 59.169 58.100 -0.081 0.000 1.418 465 Y CB -2.141 36.275 38.460 -0.073 0.000 2.033 465 Y HN 0.252 nan 8.280 nan 0.000 0.268 466 S N -0.362 115.378 115.700 0.066 0.000 2.561 466 S HA 0.309 4.781 4.470 0.003 0.000 0.245 466 S C -0.296 174.222 174.600 -0.137 0.000 1.001 466 S CA 0.187 58.349 58.200 -0.062 0.000 1.002 466 S CB -0.162 62.997 63.200 -0.068 0.000 0.805 466 S HN 0.691 nan 8.310 nan 0.000 0.458 467 T N -0.782 113.705 114.554 -0.111 0.000 2.886 467 T HA 0.617 4.969 4.350 0.003 0.000 0.292 467 T C -0.315 174.326 174.700 -0.099 0.000 1.012 467 T CA -0.743 61.261 62.100 -0.160 0.000 0.982 467 T CB 0.528 69.338 68.868 -0.096 0.000 1.018 467 T HN 0.135 nan 8.240 nan 0.000 0.451 468 F N 2.187 122.141 119.950 0.007 0.000 2.590 468 F HA 0.186 4.715 4.527 0.003 0.000 0.389 468 F C 1.568 177.329 175.800 -0.066 0.000 1.049 468 F CA -0.366 57.631 58.000 -0.006 0.000 1.199 468 F CB 0.460 39.573 39.000 0.189 0.000 1.058 468 F HN 0.276 nan 8.300 nan 0.000 0.556 469 R N 5.717 126.249 120.500 0.052 0.000 2.288 469 R HA 0.476 4.818 4.340 0.003 0.000 0.326 469 R C -0.926 175.303 176.300 -0.118 0.000 0.959 469 R CA -0.830 55.230 56.100 -0.066 0.000 0.834 469 R CB 1.188 31.438 30.300 -0.084 0.000 1.157 469 R HN 0.590 nan 8.270 nan 0.000 0.470 470 L N -0.423 120.751 121.223 -0.081 0.000 2.322 470 L HA 0.593 4.935 4.340 0.003 0.000 0.269 470 L C 0.098 176.965 176.870 -0.005 0.000 1.012 470 L CA -1.144 53.636 54.840 -0.100 0.000 0.815 470 L CB 1.194 43.275 42.059 0.036 0.000 1.295 470 L HN 0.320 nan 8.230 nan 0.000 0.438 471 N N 1.096 119.779 118.700 -0.027 0.000 2.453 471 N HA 0.124 4.866 4.740 0.003 0.000 0.253 471 N C 0.662 176.241 175.510 0.114 0.000 1.252 471 N CA 0.052 53.118 53.050 0.027 0.000 0.917 471 N CB 1.161 39.638 38.487 -0.017 0.000 1.117 471 N HN 0.894 nan 8.380 nan 0.000 0.442 472 L N 1.614 122.918 121.223 0.134 0.000 2.027 472 L HA -0.154 4.188 4.340 0.003 0.000 0.206 472 L C 2.351 179.283 176.870 0.103 0.000 1.074 472 L CA 1.069 56.011 54.840 0.171 0.000 0.745 472 L CB -0.439 41.718 42.059 0.163 0.000 0.898 472 L HN 0.550 nan 8.230 nan 0.000 0.433 473 S N -0.935 114.800 115.700 0.058 0.000 2.419 473 S HA -0.153 4.319 4.470 0.003 0.000 0.235 473 S C 1.525 176.077 174.600 -0.080 0.000 1.019 473 S CA 0.947 59.149 58.200 0.003 0.000 0.982 473 S CB -0.183 63.005 63.200 -0.022 0.000 0.789 473 S HN 0.269 nan 8.310 nan 0.000 0.490 474 V N 1.832 121.705 119.914 -0.068 0.000 3.490 474 V HA 0.060 4.182 4.120 0.003 0.000 0.315 474 V C 1.743 177.872 176.094 0.059 0.000 1.284 474 V CA 0.894 63.157 62.300 -0.062 0.000 1.233 474 V CB -0.708 31.135 31.823 0.035 0.000 1.101 474 V HN 0.501 nan 8.190 nan 0.000 0.425 475 T N 0.020 114.618 114.554 0.073 0.000 2.755 475 T HA -0.131 4.220 4.350 0.003 0.000 0.251 475 T C 2.219 176.945 174.700 0.044 0.000 1.044 475 T CA 1.900 64.068 62.100 0.113 0.000 1.154 475 T CB -0.171 68.719 68.868 0.037 0.000 0.866 475 T HN 0.804 nan 8.240 nan 0.000 0.416 476 S N 1.772 117.466 115.700 -0.011 0.000 2.420 476 S HA -0.057 4.415 4.470 0.003 0.000 0.237 476 S C -0.695 173.876 174.600 -0.048 0.000 1.023 476 S CA 1.226 59.412 58.200 -0.023 0.000 0.991 476 S CB -1.660 61.526 63.200 -0.023 0.000 0.792 476 S HN 0.455 nan 8.310 nan 0.000 0.488 477 P HA 0.041 nan 4.420 nan 0.000 0.215 477 P C 0.917 178.123 177.300 -0.157 0.000 1.157 477 P CA 0.940 63.887 63.100 -0.255 0.000 0.856 477 P CB -0.196 31.235 31.700 -0.447 0.000 0.786 478 Y N -1.510 118.797 120.300 0.013 0.000 2.439 478 Y HA -0.019 4.533 4.550 0.004 0.000 0.292 478 Y C 0.787 176.695 175.900 0.013 0.000 1.130 478 Y CA 0.238 58.349 58.100 0.019 0.000 1.254 478 Y CB -0.370 38.105 38.460 0.025 0.000 1.000 478 Y HN -0.006 nan 8.280 nan 0.000 0.554 479 N N 0.602 119.379 118.700 0.129 0.000 2.621 479 N HA -0.171 4.571 4.740 0.003 0.000 0.269 479 N C -1.278 174.259 175.510 0.045 0.000 1.154 479 N CA 0.615 53.703 53.050 0.062 0.000 0.696 479 N CB -0.905 37.615 38.487 0.056 0.000 0.878 479 N HN 0.358 nan 8.380 nan 0.000 0.550 480 A N 1.999 124.828 122.820 0.015 0.000 2.539 480 A HA 0.709 5.031 4.320 0.003 0.000 0.296 480 A C -0.939 176.523 177.584 -0.203 0.000 1.073 480 A CA -0.265 51.748 52.037 -0.041 0.000 0.700 480 A CB 1.368 20.384 19.000 0.028 0.000 1.296 480 A HN 0.596 nan 8.150 nan 0.000 0.405 481 D N -0.976 119.289 120.400 -0.224 0.000 2.450 481 D HA 0.595 5.237 4.640 0.003 0.000 0.238 481 D C -0.471 175.651 176.300 -0.297 0.000 1.020 481 D CA -0.576 53.203 54.000 -0.368 0.000 1.010 481 D CB 0.744 41.444 40.800 -0.167 0.000 1.342 481 D HN 0.298 nan 8.370 nan 0.000 0.530 482 F N -0.645 119.324 119.950 0.032 0.000 2.641 482 F HA 0.113 4.642 4.527 0.004 0.000 0.302 482 F C 0.990 176.800 175.800 0.017 0.000 1.098 482 F CA -0.711 57.306 58.000 0.028 0.000 1.318 482 F CB 0.243 39.261 39.000 0.029 0.000 1.035 482 F HN 0.293 nan 8.300 nan 0.000 0.551 483 D N 0.295 120.767 120.400 0.120 0.000 2.387 483 D HA 0.054 4.696 4.640 0.003 0.000 0.257 483 D C 1.506 177.846 176.300 0.066 0.000 1.198 483 D CA 0.760 54.805 54.000 0.074 0.000 0.945 483 D CB -0.457 40.360 40.800 0.028 0.000 0.907 483 D HN 0.363 nan 8.370 nan 0.000 0.518 484 G N -0.309 108.547 108.800 0.093 0.000 2.141 484 G HA2 -0.196 3.766 3.960 0.003 0.000 0.164 484 G HA3 -0.196 3.766 3.960 0.003 0.000 0.164 484 G C -0.626 174.311 174.900 0.061 0.000 1.009 484 G CA -0.375 44.764 45.100 0.065 0.000 0.677 484 G HN 0.361 nan 8.290 nan 0.000 0.508 485 D N 0.874 121.326 120.400 0.086 0.000 2.302 485 D HA 0.505 5.146 4.640 0.003 0.000 0.248 485 D C 0.607 176.957 176.300 0.082 0.000 1.094 485 D CA 0.271 54.312 54.000 0.067 0.000 0.897 485 D CB 1.130 41.967 40.800 0.061 0.000 1.200 485 D HN 0.485 nan 8.370 nan 0.000 0.429 486 E N 0.965 121.194 120.200 0.048 0.000 2.212 486 E HA 0.563 4.915 4.350 0.003 0.000 0.270 486 E C -0.252 176.352 176.600 0.007 0.000 0.956 486 E CA -0.684 55.748 56.400 0.053 0.000 0.825 486 E CB 1.940 31.660 29.700 0.033 0.000 1.167 486 E HN 0.257 nan 8.360 nan 0.000 0.400 487 M N 1.454 121.068 119.600 0.024 0.000 2.550 487 M HA 0.380 4.862 4.480 0.003 0.000 0.292 487 M C -1.131 175.040 176.300 -0.215 0.000 1.221 487 M CA -1.034 54.130 55.300 -0.228 0.000 0.873 487 M CB 2.165 34.419 32.600 -0.576 0.000 1.727 487 M HN 0.358 nan 8.290 nan 0.000 0.459 488 N N 1.773 120.222 118.700 -0.418 0.000 2.456 488 N HA 0.695 5.437 4.740 0.003 0.000 0.296 488 N C -1.570 173.612 175.510 -0.547 0.000 1.102 488 N CA -0.486 52.345 53.050 -0.365 0.000 0.924 488 N CB 1.871 40.168 38.487 -0.316 0.000 1.186 488 N HN 0.455 nan 8.380 nan 0.000 0.492 489 L N 2.315 123.293 121.223 -0.408 0.000 2.381 489 L HA 0.447 4.789 4.340 0.003 0.000 0.274 489 L C -1.234 175.453 176.870 -0.305 0.000 0.988 489 L CA -0.456 54.224 54.840 -0.266 0.000 0.824 489 L CB 1.046 43.003 42.059 -0.171 0.000 1.263 489 L HN 0.502 nan 8.230 nan 0.000 0.410 490 H N 3.935 123.049 119.070 0.074 0.000 2.524 490 H HA 0.604 5.162 4.556 0.003 0.000 0.353 490 H C -1.005 174.386 175.328 0.105 0.000 1.136 490 H CA -0.660 55.445 56.048 0.094 0.000 1.193 490 H CB 2.406 32.207 29.762 0.064 0.000 1.558 490 H HN 0.416 nan 8.280 nan 0.000 0.515 491 V N 5.981 126.060 119.914 0.274 0.000 2.384 491 V HA 0.182 4.304 4.120 0.003 0.000 0.287 491 V C -1.669 174.512 176.094 0.144 0.000 1.020 491 V CA -1.514 60.909 62.300 0.206 0.000 0.850 491 V CB 1.710 33.695 31.823 0.271 0.000 0.987 491 V HN 0.670 nan 8.190 nan 0.000 0.436 492 P HA 0.028 nan 4.420 nan 0.000 0.273 492 P C -0.476 176.868 177.300 0.074 0.000 1.252 492 P CA 0.287 63.425 63.100 0.062 0.000 0.809 492 P CB 1.353 33.083 31.700 0.050 0.000 1.017 493 Q N -1.782 118.052 119.800 0.057 0.000 2.225 493 Q HA 0.171 4.513 4.340 0.003 0.000 0.230 493 Q C 0.065 176.059 176.000 -0.011 0.000 0.729 493 Q CA 0.348 56.132 55.803 -0.032 0.000 0.918 493 Q CB 0.252 28.832 28.738 -0.264 0.000 1.262 493 Q HN 0.375 nan 8.270 nan 0.000 0.473 494 S N 0.637 116.352 115.700 0.025 0.000 2.578 494 S HA 0.167 4.639 4.470 0.003 0.000 0.283 494 S C 0.502 175.164 174.600 0.102 0.000 1.195 494 S CA -0.393 57.820 58.200 0.021 0.000 1.050 494 S CB 1.539 64.734 63.200 -0.007 0.000 1.012 494 S HN 0.223 nan 8.310 nan 0.000 0.511 495 E N 2.054 122.317 120.200 0.106 0.000 2.267 495 E HA -0.210 4.141 4.350 0.003 0.000 0.197 495 E C 1.640 178.283 176.600 0.073 0.000 0.998 495 E CA 1.733 58.209 56.400 0.128 0.000 0.830 495 E CB 0.011 29.776 29.700 0.107 0.000 0.751 495 E HN 0.820 nan 8.360 nan 0.000 0.491 496 E N -1.995 118.234 120.200 0.049 0.000 2.250 496 E HA -0.023 4.329 4.350 0.003 0.000 0.192 496 E C 1.873 178.486 176.600 0.022 0.000 0.986 496 E CA 0.985 57.405 56.400 0.032 0.000 0.849 496 E CB -0.287 29.427 29.700 0.023 0.000 0.797 496 E HN -0.018 nan 8.360 nan 0.000 0.482 497 T N 1.455 116.023 114.554 0.024 0.000 2.674 497 T HA -0.142 4.210 4.350 0.003 0.000 0.265 497 T C 1.788 176.497 174.700 0.015 0.000 1.039 497 T CA 1.949 64.057 62.100 0.013 0.000 1.150 497 T CB -0.177 68.700 68.868 0.014 0.000 0.864 497 T HN 0.262 nan 8.240 nan 0.000 0.427 498 R N 1.682 122.199 120.500 0.028 0.000 2.112 498 R HA -0.103 4.239 4.340 0.003 0.000 0.242 498 R C 2.732 179.031 176.300 -0.002 0.000 1.137 498 R CA 1.516 57.617 56.100 0.003 0.000 0.944 498 R CB -1.023 29.267 30.300 -0.016 0.000 0.857 498 R HN 0.360 nan 8.270 nan 0.000 0.435 499 A N 1.778 124.602 122.820 0.007 0.000 1.929 499 A HA -0.310 4.012 4.320 0.003 0.000 0.221 499 A C 2.103 179.686 177.584 -0.001 0.000 1.211 499 A CA 2.175 54.215 52.037 0.006 0.000 0.657 499 A CB -0.673 18.338 19.000 0.018 0.000 0.827 499 A HN 0.522 nan 8.150 nan 0.000 0.462 500 E N -0.871 119.328 120.200 -0.003 0.000 2.153 500 E HA -0.115 4.237 4.350 0.003 0.000 0.194 500 E C 1.962 178.551 176.600 -0.020 0.000 0.988 500 E CA 0.965 57.358 56.400 -0.012 0.000 0.811 500 E CB -0.188 29.502 29.700 -0.017 0.000 0.746 500 E HN 0.697 nan 8.360 nan 0.000 0.466 501 L N 0.316 121.529 121.223 -0.018 0.000 2.049 501 L HA -0.134 4.208 4.340 0.003 0.000 0.203 501 L C 2.639 179.490 176.870 -0.031 0.000 1.074 501 L CA 1.257 56.082 54.840 -0.024 0.000 0.749 501 L CB -0.358 41.690 42.059 -0.018 0.000 0.907 501 L HN 0.148 nan 8.230 nan 0.000 0.439 502 S N -1.289 114.395 115.700 -0.026 0.000 2.423 502 S HA -0.181 4.291 4.470 0.003 0.000 0.231 502 S C 1.852 176.438 174.600 -0.023 0.000 1.014 502 S CA 0.746 58.931 58.200 -0.026 0.000 0.965 502 S CB -0.189 62.998 63.200 -0.022 0.000 0.785 502 S HN 0.296 nan 8.310 nan 0.000 0.495 503 Q N -0.104 119.683 119.800 -0.021 0.000 2.408 503 Q HA 0.443 4.785 4.340 0.003 0.000 0.205 503 Q C 0.981 176.962 176.000 -0.032 0.000 0.919 503 Q CA 0.540 56.331 55.803 -0.021 0.000 0.932 503 Q CB 0.189 28.920 28.738 -0.011 0.000 1.058 503 Q HN 0.570 nan 8.270 nan 0.000 0.517 504 L N -3.278 117.922 121.223 -0.038 0.000 3.154 504 L HA 0.153 4.495 4.340 0.003 0.000 0.280 504 L C 1.075 177.912 176.870 -0.055 0.000 1.134 504 L CA 0.319 55.129 54.840 -0.050 0.000 1.037 504 L CB 0.313 42.340 42.059 -0.052 0.000 1.571 504 L HN -0.001 nan 8.230 nan 0.000 0.576 505 C N 0.491 119.760 119.300 -0.052 0.000 2.912 505 C HA 0.600 5.062 4.460 0.003 0.000 0.274 505 C C 1.530 176.473 174.990 -0.079 0.000 1.248 505 C CA -0.633 58.349 59.018 -0.061 0.000 1.694 505 C CB -0.551 27.160 27.740 -0.049 0.000 2.024 505 C HN 0.378 nan 8.230 nan 0.000 0.605 506 A N 1.083 123.862 122.820 -0.069 0.000 2.540 506 A HA 0.306 4.628 4.320 0.003 0.000 0.239 506 A C 1.441 178.976 177.584 -0.082 0.000 1.061 506 A CA 0.285 52.278 52.037 -0.074 0.000 0.758 506 A CB 0.282 19.255 19.000 -0.044 0.000 0.991 506 A HN 0.254 nan 8.150 nan 0.000 0.502 507 V N 3.961 123.818 119.914 -0.094 0.000 2.278 507 V HA -0.225 3.897 4.120 0.003 0.000 0.251 507 V C -0.299 175.749 176.094 -0.077 0.000 1.062 507 V CA 2.805 65.051 62.300 -0.089 0.000 1.038 507 V CB -1.571 30.240 31.823 -0.020 0.000 0.646 507 V HN 0.837 nan 8.190 nan 0.000 0.447 508 P HA -0.156 nan 4.420 nan 0.000 0.217 508 P C 1.763 179.049 177.300 -0.023 0.000 1.148 508 P CA 1.422 64.509 63.100 -0.023 0.000 0.828 508 P CB -0.067 31.633 31.700 0.000 0.000 0.783 509 L N -1.335 119.865 121.223 -0.039 0.000 2.240 509 L HA -0.095 4.247 4.340 0.003 0.000 0.211 509 L C 2.128 178.961 176.870 -0.061 0.000 1.106 509 L CA 0.957 55.773 54.840 -0.041 0.000 0.793 509 L CB -0.698 41.334 42.059 -0.045 0.000 0.927 509 L HN -0.082 nan 8.230 nan 0.000 0.446 510 Q N -0.058 119.691 119.800 -0.085 0.000 2.472 510 Q HA 0.024 4.366 4.340 0.003 0.000 0.208 510 Q C 2.146 178.079 176.000 -0.111 0.000 0.958 510 Q CA 0.703 56.437 55.803 -0.115 0.000 0.932 510 Q CB -0.054 28.589 28.738 -0.159 0.000 1.007 510 Q HN 0.572 nan 8.270 nan 0.000 0.508 511 I N -0.280 120.246 120.570 -0.072 0.000 2.185 511 I HA -0.200 3.972 4.170 0.003 0.000 0.246 511 I C 0.706 176.806 176.117 -0.027 0.000 1.088 511 I CA 0.950 62.230 61.300 -0.033 0.000 1.347 511 I CB -0.122 37.907 38.000 0.047 0.000 1.041 511 I HN -0.123 nan 8.210 nan 0.000 0.415 512 V N 1.827 121.722 119.914 -0.032 0.000 2.304 512 V HA 0.123 4.245 4.120 0.003 0.000 0.269 512 V C 0.309 176.357 176.094 -0.077 0.000 1.036 512 V CA -0.274 62.002 62.300 -0.040 0.000 0.840 512 V CB 1.065 32.889 31.823 0.002 0.000 1.036 512 V HN 0.249 nan 8.190 nan 0.000 0.466 513 S N 8.182 123.825 115.700 -0.096 0.000 2.505 513 S HA 0.319 4.791 4.470 0.003 0.000 0.276 513 S C -0.812 173.752 174.600 -0.059 0.000 1.274 513 S CA -1.083 57.058 58.200 -0.098 0.000 1.053 513 S CB 1.238 64.359 63.200 -0.132 0.000 0.919 513 S HN 0.638 nan 8.310 nan 0.000 0.490 514 P HA -0.090 nan 4.420 nan 0.000 0.231 514 P C 0.983 178.370 177.300 0.144 0.000 1.168 514 P CA 0.615 63.750 63.100 0.058 0.000 0.779 514 P CB -0.025 31.726 31.700 0.084 0.000 0.844 515 Q N 1.378 121.208 119.800 0.049 0.000 2.508 515 Q HA -0.053 4.289 4.340 0.003 0.000 0.214 515 Q C 0.778 176.794 176.000 0.026 0.000 0.979 515 Q CA 1.633 57.453 55.803 0.028 0.000 0.911 515 Q CB -0.622 28.093 28.738 -0.038 0.000 0.969 515 Q HN 0.225 nan 8.270 nan 0.000 0.504 516 S N -0.712 114.956 115.700 -0.053 0.000 2.885 516 S HA 0.101 4.573 4.470 0.003 0.000 0.238 516 S C -0.530 173.946 174.600 -0.206 0.000 0.766 516 S CA -0.382 57.675 58.200 -0.238 0.000 1.089 516 S CB -1.257 61.814 63.200 -0.215 0.000 1.396 516 S HN 0.572 nan 8.310 nan 0.000 0.509 517 N N 2.090 120.733 118.700 -0.094 0.000 2.730 517 N HA -0.294 4.448 4.740 0.003 0.000 0.266 517 N C -0.439 175.036 175.510 -0.058 0.000 0.949 517 N CA 1.888 54.922 53.050 -0.027 0.000 0.829 517 N CB -1.642 36.868 38.487 0.039 0.000 0.916 517 N HN 1.019 nan 8.380 nan 0.000 0.558 518 K N -2.980 117.328 120.400 -0.153 0.000 2.579 518 K HA 0.549 4.871 4.320 0.003 0.000 0.284 518 K C -3.388 173.045 176.600 -0.280 0.000 0.990 518 K CA -1.924 54.146 56.287 -0.361 0.000 0.880 518 K CB 2.079 34.426 32.500 -0.255 0.000 1.488 518 K HN -0.101 nan 8.250 nan 0.000 0.425 519 P HA -0.011 nan 4.420 nan 0.000 0.270 519 P C 0.538 177.782 177.300 -0.093 0.000 1.223 519 P CA -0.296 62.730 63.100 -0.124 0.000 0.785 519 P CB 0.589 32.257 31.700 -0.053 0.000 0.923 520 C N 0.064 119.322 119.300 -0.069 0.000 3.491 520 C HA 0.539 5.001 4.460 0.003 0.000 0.298 520 C C 0.372 175.320 174.990 -0.071 0.000 1.424 520 C CA -0.440 58.523 59.018 -0.090 0.000 1.772 520 C CB -1.127 26.519 27.740 -0.157 0.000 2.447 520 C HN 0.370 nan 8.230 nan 0.000 0.670 521 M N 1.030 120.625 119.600 -0.009 0.000 2.591 521 M HA 0.672 5.154 4.480 0.003 0.000 0.306 521 M C 0.449 176.872 176.300 0.206 0.000 1.190 521 M CA 0.326 55.635 55.300 0.015 0.000 0.889 521 M CB 2.339 34.858 32.600 -0.135 0.000 1.728 521 M HN 0.367 nan 8.290 nan 0.000 0.458 522 G N 1.635 110.580 108.800 0.241 0.000 3.354 522 G HA2 0.774 4.736 3.960 0.003 0.000 0.174 522 G HA3 0.774 4.736 3.960 0.003 0.000 0.174 522 G C -1.226 173.870 174.900 0.327 0.000 1.140 522 G CA -0.414 44.853 45.100 0.279 0.000 0.897 522 G HN 0.575 nan 8.290 nan 0.000 0.685 523 I N 0.900 121.557 120.570 0.146 0.000 2.571 523 I HA 0.471 4.643 4.170 0.003 0.000 0.289 523 I C -0.753 175.406 176.117 0.069 0.000 1.115 523 I CA -0.608 60.763 61.300 0.117 0.000 1.045 523 I CB 2.117 40.141 38.000 0.041 0.000 1.238 523 I HN 0.194 nan 8.210 nan 0.000 0.424 524 V N 4.275 124.231 119.914 0.071 0.000 3.145 524 V HA 0.540 4.662 4.120 0.003 0.000 0.311 524 V C 0.163 176.285 176.094 0.046 0.000 1.238 524 V CA -0.626 61.702 62.300 0.048 0.000 1.066 524 V CB 1.497 33.345 31.823 0.042 0.000 1.144 524 V HN 0.890 nan 8.190 nan 0.000 0.465 525 Q N -0.112 119.712 119.800 0.041 0.000 1.890 525 Q HA -0.348 3.994 4.340 0.003 0.000 0.435 525 Q C 1.082 177.107 176.000 0.041 0.000 0.839 525 Q CA 1.952 57.786 55.803 0.051 0.000 0.778 525 Q CB -1.531 27.248 28.738 0.069 0.000 3.954 525 Q HN 0.949 nan 8.270 nan 0.000 0.790 526 D N 0.467 120.904 120.400 0.060 0.000 2.355 526 D HA -0.193 4.448 4.640 0.003 0.000 0.192 526 D C 1.969 178.283 176.300 0.023 0.000 1.014 526 D CA 2.916 56.947 54.000 0.050 0.000 0.862 526 D CB -0.825 40.018 40.800 0.071 0.000 0.986 526 D HN 0.650 nan 8.370 nan 0.000 0.456 527 T N 0.504 115.080 114.554 0.036 0.000 2.680 527 T HA -0.230 4.121 4.350 0.003 0.000 0.268 527 T C 1.831 176.525 174.700 -0.009 0.000 1.033 527 T CA 1.399 63.512 62.100 0.022 0.000 1.152 527 T CB -0.472 68.422 68.868 0.045 0.000 0.859 527 T HN 0.056 nan 8.240 nan 0.000 0.452 528 L N 0.778 121.998 121.223 -0.006 0.000 1.982 528 L HA 0.064 4.406 4.340 0.003 0.000 0.206 528 L C 2.794 179.628 176.870 -0.060 0.000 1.078 528 L CA 1.511 56.334 54.840 -0.028 0.000 0.749 528 L CB -1.428 40.624 42.059 -0.011 0.000 0.894 528 L HN 0.441 nan 8.230 nan 0.000 0.436 529 C N 0.376 119.634 119.300 -0.069 0.000 2.349 529 C HA -0.249 4.213 4.460 0.003 0.000 0.274 529 C C 2.860 177.748 174.990 -0.169 0.000 1.178 529 C CA 1.577 60.507 59.018 -0.147 0.000 1.769 529 C CB -1.679 25.946 27.740 -0.192 0.000 2.047 529 C HN 0.767 nan 8.230 nan 0.000 0.448 530 G N -0.274 108.457 108.800 -0.114 0.000 2.446 530 G HA2 -0.249 3.713 3.960 0.003 0.000 0.217 530 G HA3 -0.249 3.713 3.960 0.003 0.000 0.217 530 G C 1.619 176.470 174.900 -0.082 0.000 1.168 530 G CA 0.983 46.068 45.100 -0.025 0.000 0.771 530 G HN 0.711 nan 8.290 nan 0.000 0.551 531 I N 0.523 121.029 120.570 -0.108 0.000 2.399 531 I HA -0.195 3.977 4.170 0.003 0.000 0.254 531 I C 2.790 178.792 176.117 -0.192 0.000 1.146 531 I CA 1.601 62.801 61.300 -0.167 0.000 1.412 531 I CB -0.069 37.855 38.000 -0.126 0.000 1.076 531 I HN 0.264 nan 8.210 nan 0.000 0.432 532 R N 1.041 121.452 120.500 -0.148 0.000 2.055 532 R HA -0.161 4.181 4.340 0.003 0.000 0.228 532 R C 2.259 178.472 176.300 -0.145 0.000 1.143 532 R CA 1.329 57.349 56.100 -0.132 0.000 0.945 532 R CB -0.268 29.974 30.300 -0.098 0.000 0.841 532 R HN 0.202 nan 8.270 nan 0.000 0.429 533 K N 0.743 121.075 120.400 -0.113 0.000 2.000 533 K HA -0.229 4.093 4.320 0.003 0.000 0.218 533 K C 2.138 178.622 176.600 -0.194 0.000 1.053 533 K CA 1.924 58.190 56.287 -0.035 0.000 0.946 533 K CB -0.715 31.880 32.500 0.159 0.000 0.723 533 K HN 0.212 nan 8.250 nan 0.000 0.446 534 L N 1.599 122.451 121.223 -0.619 0.000 2.357 534 L HA -0.215 4.127 4.340 0.003 0.000 0.220 534 L C 1.993 178.537 176.870 -0.544 0.000 1.123 534 L CA 1.803 55.986 54.840 -1.096 0.000 0.782 534 L CB -0.471 40.729 42.059 -1.432 0.000 0.910 534 L HN 0.157 nan 8.230 nan 0.000 0.442 535 T N -0.509 113.842 114.554 -0.338 0.000 2.781 535 T HA 0.107 4.459 4.350 0.003 0.000 0.252 535 T C 0.798 175.396 174.700 -0.169 0.000 1.039 535 T CA 0.151 62.111 62.100 -0.234 0.000 1.147 535 T CB -0.228 68.532 68.868 -0.180 0.000 0.865 535 T HN 0.197 nan 8.240 nan 0.000 0.423 536 L N 2.167 123.323 121.223 -0.112 0.000 3.127 536 L HA -0.221 4.121 4.340 0.003 0.000 0.373 536 L C 1.768 178.602 176.870 -0.061 0.000 1.223 536 L CA 0.205 55.012 54.840 -0.055 0.000 0.806 536 L CB 0.246 42.300 42.059 -0.008 0.000 1.070 536 L HN 0.270 nan 8.230 nan 0.000 0.630 537 R N 1.617 122.104 120.500 -0.023 0.000 2.091 537 R HA -0.212 4.130 4.340 0.003 0.000 0.238 537 R C 1.581 177.933 176.300 0.086 0.000 1.136 537 R CA 1.803 57.897 56.100 -0.011 0.000 0.959 537 R CB -0.300 30.028 30.300 0.047 0.000 0.856 537 R HN 0.719 nan 8.270 nan 0.000 0.437 538 D N 0.390 120.868 120.400 0.131 0.000 2.158 538 D HA -0.099 4.543 4.640 0.003 0.000 0.197 538 D C -0.036 176.453 176.300 0.314 0.000 0.995 538 D CA 1.028 55.159 54.000 0.218 0.000 0.846 538 D CB 0.016 40.896 40.800 0.133 0.000 0.941 538 D HN 0.010 nan 8.370 nan 0.000 0.456 539 T N 0.731 115.378 114.554 0.155 0.000 2.738 539 T HA 0.229 4.581 4.350 0.003 0.000 0.293 539 T C -0.512 174.211 174.700 0.038 0.000 0.913 539 T CA -0.049 62.145 62.100 0.157 0.000 1.103 539 T CB -0.097 68.813 68.868 0.069 0.000 0.880 539 T HN -0.100 nan 8.240 nan 0.000 0.526 540 F N 2.970 122.989 119.950 0.115 0.000 2.508 540 F HA 0.619 5.148 4.527 0.003 0.000 0.325 540 F C 0.238 176.148 175.800 0.183 0.000 1.090 540 F CA -1.302 56.774 58.000 0.125 0.000 0.945 540 F CB 1.329 40.384 39.000 0.092 0.000 1.156 540 F HN 0.332 nan 8.300 nan 0.000 0.463 541 I N 2.466 123.252 120.570 0.360 0.000 2.465 541 I HA 0.323 4.495 4.170 0.003 0.000 0.291 541 I C -0.665 175.705 176.117 0.422 0.000 1.014 541 I CA -0.812 60.692 61.300 0.340 0.000 1.093 541 I CB 1.998 40.154 38.000 0.260 0.000 1.267 541 I HN 0.609 nan 8.210 nan 0.000 0.431 542 E N 5.467 125.863 120.200 0.328 0.000 2.242 542 E HA 0.218 4.570 4.350 0.003 0.000 0.275 542 E C 0.732 177.484 176.600 0.253 0.000 1.002 542 E CA -0.770 55.845 56.400 0.358 0.000 0.841 542 E CB 2.024 31.866 29.700 0.237 0.000 1.109 542 E HN 0.451 nan 8.360 nan 0.000 0.394 543 L N 2.991 124.421 121.223 0.345 0.000 2.107 543 L HA -0.415 3.927 4.340 0.003 0.000 0.242 543 L C 1.987 178.844 176.870 -0.023 0.000 1.115 543 L CA 3.100 57.984 54.840 0.074 0.000 0.842 543 L CB -0.972 41.230 42.059 0.238 0.000 0.941 543 L HN 0.995 nan 8.230 nan 0.000 0.448 544 D N -1.455 118.980 120.400 0.058 0.000 2.200 544 D HA -0.320 4.322 4.640 0.003 0.000 0.192 544 D C 1.886 178.220 176.300 0.055 0.000 1.008 544 D CA 2.472 56.504 54.000 0.053 0.000 0.872 544 D CB -0.604 40.240 40.800 0.073 0.000 0.923 544 D HN 0.766 nan 8.370 nan 0.000 0.447 545 Q N -0.251 119.586 119.800 0.063 0.000 2.084 545 Q HA 0.034 4.376 4.340 0.003 0.000 0.194 545 Q C 2.673 178.689 176.000 0.026 0.000 0.969 545 Q CA 0.542 56.408 55.803 0.105 0.000 0.829 545 Q CB 0.085 28.892 28.738 0.116 0.000 0.904 545 Q HN 0.132 nan 8.270 nan 0.000 0.464 546 V N 1.954 121.808 119.914 -0.100 0.000 2.280 546 V HA -0.378 3.744 4.120 0.003 0.000 0.258 546 V C 2.290 178.182 176.094 -0.337 0.000 1.081 546 V CA 1.936 64.047 62.300 -0.315 0.000 1.070 546 V CB -0.643 30.711 31.823 -0.782 0.000 0.666 546 V HN 0.380 nan 8.190 nan 0.000 0.450 547 L N -0.439 120.613 121.223 -0.284 0.000 2.012 547 L HA -0.208 4.134 4.340 0.003 0.000 0.210 547 L C 2.488 179.264 176.870 -0.156 0.000 1.073 547 L CA 1.936 56.626 54.840 -0.249 0.000 0.748 547 L CB -0.838 41.136 42.059 -0.141 0.000 0.891 547 L HN 0.415 nan 8.230 nan 0.000 0.431 548 N N -0.026 118.673 118.700 -0.001 0.000 2.058 548 N HA -0.181 4.561 4.740 0.003 0.000 0.191 548 N C 1.933 177.468 175.510 0.042 0.000 1.037 548 N CA 1.467 54.574 53.050 0.094 0.000 0.848 548 N CB -0.264 38.361 38.487 0.230 0.000 1.021 548 N HN 0.295 nan 8.380 nan 0.000 0.422 549 M N 0.749 120.372 119.600 0.038 0.000 2.089 549 M HA -0.202 4.280 4.480 0.003 0.000 0.257 549 M C 2.133 178.363 176.300 -0.117 0.000 1.071 549 M CA 1.440 56.729 55.300 -0.018 0.000 1.096 549 M CB -0.528 32.088 32.600 0.028 0.000 1.330 549 M HN 0.118 nan 8.290 nan 0.000 0.403 550 L N -1.428 119.597 121.223 -0.330 0.000 1.971 550 L HA -0.294 4.048 4.340 0.003 0.000 0.215 550 L C 2.598 179.240 176.870 -0.381 0.000 1.072 550 L CA 1.668 56.090 54.840 -0.696 0.000 0.758 550 L CB -1.142 40.058 42.059 -1.431 0.000 0.889 550 L HN 0.249 nan 8.230 nan 0.000 0.433 551 Y N -0.385 119.704 120.300 -0.351 0.000 2.181 551 Y HA -0.304 4.248 4.550 0.003 0.000 0.284 551 Y C 2.174 178.048 175.900 -0.043 0.000 1.179 551 Y CA 1.233 59.285 58.100 -0.080 0.000 1.179 551 Y CB -0.654 37.764 38.460 -0.071 0.000 0.973 551 Y HN 0.114 nan 8.280 nan 0.000 0.519 552 W N -0.251 120.885 121.300 -0.274 0.000 2.358 552 W HA -0.049 4.613 4.660 0.003 0.000 0.303 552 W C 0.793 177.186 176.519 -0.210 0.000 1.208 552 W CA 1.521 58.671 57.345 -0.325 0.000 1.274 552 W CB -0.873 28.386 29.460 -0.335 0.000 1.138 552 W HN -0.369 nan 8.180 nan 0.000 0.515 553 V N 4.614 124.583 119.914 0.091 0.000 2.409 553 V HA -0.073 4.049 4.120 0.003 0.000 0.270 553 V C -0.810 175.326 176.094 0.070 0.000 1.019 553 V CA -0.563 61.784 62.300 0.078 0.000 1.066 553 V CB 0.035 31.903 31.823 0.075 0.000 1.021 553 V HN -0.008 nan 8.190 nan 0.000 0.476 554 P HA -0.136 nan 4.420 nan 0.000 0.221 554 P C 0.502 177.826 177.300 0.039 0.000 1.145 554 P CA 1.154 64.235 63.100 -0.033 0.000 0.795 554 P CB 0.401 32.061 31.700 -0.068 0.000 0.775 555 D N -1.579 118.869 120.400 0.080 0.000 2.491 555 D HA 0.026 4.668 4.640 0.003 0.000 0.228 555 D C 0.079 176.465 176.300 0.142 0.000 1.183 555 D CA -0.380 53.667 54.000 0.078 0.000 0.827 555 D CB -0.342 40.491 40.800 0.055 0.000 0.989 555 D HN 0.195 nan 8.370 nan 0.000 0.494 556 W N 3.760 125.060 121.300 -0.001 0.000 2.253 556 W HA 0.032 4.694 4.660 0.003 0.000 0.322 556 W C 1.046 177.576 176.519 0.019 0.000 1.342 556 W CA -0.954 56.399 57.345 0.015 0.000 1.218 556 W CB 0.671 30.151 29.460 0.032 0.000 1.205 556 W HN -0.044 nan 8.180 nan 0.000 0.551 557 D N 3.716 123.894 120.400 -0.369 0.000 2.352 557 D HA 0.020 4.662 4.640 0.003 0.000 0.232 557 D C 1.305 177.112 176.300 -0.822 0.000 1.055 557 D CA 0.587 54.319 54.000 -0.445 0.000 0.891 557 D CB -0.629 40.059 40.800 -0.187 0.000 0.897 557 D HN 0.811 nan 8.370 nan 0.000 0.529 558 G N 0.059 107.684 108.800 -1.958 0.000 2.314 558 G HA2 -0.209 3.753 3.960 0.003 0.000 0.292 558 G HA3 -0.209 3.753 3.960 0.003 0.000 0.292 558 G C -0.051 174.379 174.900 -0.784 0.000 1.059 558 G CA 0.186 44.100 45.100 -1.977 0.000 0.982 558 G HN 0.386 nan 8.290 nan 0.000 0.505 559 V N 2.277 122.014 119.914 -0.296 0.000 2.383 559 V HA 0.258 4.380 4.120 0.003 0.000 0.264 559 V C 0.938 177.313 176.094 0.468 0.000 1.001 559 V CA -0.812 61.577 62.300 0.148 0.000 0.828 559 V CB 0.765 32.630 31.823 0.071 0.000 1.069 559 V HN 0.515 nan 8.190 nan 0.000 0.451 560 I N 4.498 125.376 120.570 0.514 0.000 3.138 560 I HA 0.047 4.219 4.170 0.003 0.000 0.286 560 I C -1.248 175.044 176.117 0.291 0.000 1.194 560 I CA -0.814 60.695 61.300 0.349 0.000 1.392 560 I CB -0.590 37.558 38.000 0.248 0.000 1.476 560 I HN 0.342 nan 8.210 nan 0.000 0.579 561 P HA -0.014 nan 4.420 nan 0.000 0.266 561 P C -0.160 177.388 177.300 0.414 0.000 1.193 561 P CA -0.011 63.261 63.100 0.287 0.000 0.770 561 P CB 0.335 32.180 31.700 0.241 0.000 0.836 562 T N 3.410 118.129 114.554 0.276 0.000 2.799 562 T HA 0.217 4.569 4.350 0.003 0.000 0.296 562 T C -2.102 172.649 174.700 0.085 0.000 0.947 562 T CA -1.089 61.129 62.100 0.196 0.000 1.141 562 T CB -0.780 68.145 68.868 0.095 0.000 0.891 562 T HN 0.347 nan 8.240 nan 0.000 0.533 563 P HA 0.063 nan 4.420 nan 0.000 0.264 563 P C 0.624 177.675 177.300 -0.415 0.000 1.173 563 P CA -0.069 62.490 63.100 -0.901 0.000 0.761 563 P CB 0.396 31.378 31.700 -1.196 0.000 0.794 564 A N 4.141 126.749 122.820 -0.353 0.000 1.855 564 A HA -0.043 4.278 4.320 0.003 0.000 0.215 564 A C 1.035 178.548 177.584 -0.119 0.000 1.191 564 A CA 1.160 53.115 52.037 -0.137 0.000 0.613 564 A CB -0.677 18.283 19.000 -0.067 0.000 0.829 564 A HN 0.534 nan 8.150 nan 0.000 0.442 565 I N -0.054 120.434 120.570 -0.136 0.000 2.385 565 I HA 0.282 4.454 4.170 0.003 0.000 0.294 565 I C 0.360 176.362 176.117 -0.192 0.000 0.988 565 I CA -0.052 61.190 61.300 -0.098 0.000 1.265 565 I CB 1.585 39.580 38.000 -0.009 0.000 1.388 565 I HN 0.286 nan 8.210 nan 0.000 0.480 566 I N 4.202 124.694 120.570 -0.130 0.000 4.607 566 I HA -0.016 4.156 4.170 0.003 0.000 0.324 566 I C 1.733 177.804 176.117 -0.076 0.000 1.279 566 I CA -0.170 61.057 61.300 -0.123 0.000 1.286 566 I CB -0.073 37.870 38.000 -0.095 0.000 1.265 566 I HN 0.542 nan 8.210 nan 0.000 0.446 567 K N 3.370 123.732 120.400 -0.063 0.000 2.436 567 K HA -0.174 4.148 4.320 0.003 0.000 0.228 567 K C -0.788 175.787 176.600 -0.041 0.000 0.733 567 K CA 1.681 57.940 56.287 -0.047 0.000 0.930 567 K CB -2.443 30.030 32.500 -0.046 0.000 0.423 567 K HN 0.122 nan 8.250 nan 0.000 0.939 568 P HA -0.067 nan 4.420 nan 0.000 0.216 568 P C -0.155 177.130 177.300 -0.025 0.000 1.156 568 P CA 1.251 64.333 63.100 -0.030 0.000 0.855 568 P CB 0.247 31.929 31.700 -0.031 0.000 0.786 569 K N 1.261 121.641 120.400 -0.034 0.000 2.358 569 K HA 0.347 4.668 4.320 0.003 0.000 0.260 569 K C -2.592 173.979 176.600 -0.047 0.000 0.956 569 K CA -2.699 53.577 56.287 -0.018 0.000 0.834 569 K CB 2.049 34.547 32.500 -0.003 0.000 1.102 569 K HN -0.075 nan 8.250 nan 0.000 0.431 570 P HA 0.078 nan 4.420 nan 0.000 0.271 570 P C -1.092 176.069 177.300 -0.232 0.000 1.233 570 P CA -0.277 62.695 63.100 -0.212 0.000 0.764 570 P CB 0.745 32.329 31.700 -0.194 0.000 0.825 571 L N 4.336 125.385 121.223 -0.289 0.000 2.301 571 L HA 0.625 4.967 4.340 0.003 0.000 0.264 571 L C -0.180 176.584 176.870 -0.176 0.000 1.016 571 L CA -0.482 54.355 54.840 -0.006 0.000 0.821 571 L CB 1.625 43.823 42.059 0.232 0.000 1.346 571 L HN 0.419 nan 8.230 nan 0.000 0.429 572 W N 0.230 121.625 121.300 0.157 0.000 2.844 572 W HA 0.541 5.204 4.660 0.004 0.000 0.340 572 W C -0.459 176.000 176.519 -0.100 0.000 1.093 572 W CA -0.747 56.619 57.345 0.036 0.000 1.212 572 W CB 2.298 31.765 29.460 0.012 0.000 1.422 572 W HN 0.484 nan 8.180 nan 0.000 0.515 573 S N 0.036 115.707 115.700 -0.049 0.000 2.585 573 S HA 0.426 4.897 4.470 0.003 0.000 0.277 573 S C 0.980 175.473 174.600 -0.178 0.000 1.241 573 S CA -0.074 57.921 58.200 -0.341 0.000 1.041 573 S CB 1.880 64.832 63.200 -0.413 0.000 0.987 573 S HN 0.652 nan 8.310 nan 0.000 0.512 574 G N 2.220 110.873 108.800 -0.244 0.000 2.586 574 G HA2 -0.268 3.694 3.960 0.003 0.000 0.218 574 G HA3 -0.268 3.694 3.960 0.003 0.000 0.218 574 G C 1.234 175.994 174.900 -0.233 0.000 1.216 574 G CA 0.997 45.926 45.100 -0.284 0.000 0.786 574 G HN 0.798 nan 8.290 nan 0.000 0.583 575 K N -0.006 120.267 120.400 -0.213 0.000 2.097 575 K HA -0.287 4.035 4.320 0.003 0.000 0.214 575 K C 2.589 179.120 176.600 -0.114 0.000 1.052 575 K CA 1.791 57.982 56.287 -0.161 0.000 0.932 575 K CB -0.355 32.064 32.500 -0.135 0.000 0.716 575 K HN 0.405 nan 8.250 nan 0.000 0.455 576 Q N 0.370 120.119 119.800 -0.084 0.000 2.096 576 Q HA -0.211 4.131 4.340 0.003 0.000 0.208 576 Q C 2.306 178.300 176.000 -0.011 0.000 0.993 576 Q CA 2.157 57.955 55.803 -0.009 0.000 0.862 576 Q CB -0.206 28.583 28.738 0.086 0.000 0.915 576 Q HN 0.600 nan 8.270 nan 0.000 0.416 577 I N -2.721 117.815 120.570 -0.057 0.000 2.731 577 I HA -0.057 4.115 4.170 0.003 0.000 0.260 577 I C 2.145 178.197 176.117 -0.109 0.000 1.138 577 I CA 0.350 61.594 61.300 -0.092 0.000 1.461 577 I CB -0.331 37.582 38.000 -0.145 0.000 1.128 577 I HN 0.075 nan 8.210 nan 0.000 0.438 578 L N 1.665 122.802 121.223 -0.144 0.000 2.270 578 L HA -0.165 4.177 4.340 0.003 0.000 0.217 578 L C 2.154 178.965 176.870 -0.098 0.000 1.107 578 L CA 1.878 56.633 54.840 -0.142 0.000 0.772 578 L CB -0.650 41.301 42.059 -0.181 0.000 0.902 578 L HN 0.282 nan 8.230 nan 0.000 0.439 579 S N -1.446 114.205 115.700 -0.081 0.000 2.515 579 S HA -0.040 4.432 4.470 0.003 0.000 0.231 579 S C 1.809 176.395 174.600 -0.023 0.000 0.987 579 S CA 0.913 59.081 58.200 -0.054 0.000 0.936 579 S CB -0.243 62.931 63.200 -0.043 0.000 0.766 579 S HN 0.388 nan 8.310 nan 0.000 0.528 580 V N 1.601 121.503 119.914 -0.021 0.000 2.667 580 V HA -0.092 4.029 4.120 0.003 0.000 0.252 580 V C 2.523 178.633 176.094 0.027 0.000 1.065 580 V CA 1.487 63.799 62.300 0.019 0.000 1.083 580 V CB -1.042 30.772 31.823 -0.015 0.000 0.692 580 V HN 0.545 nan 8.190 nan 0.000 0.468 581 A N -0.000 122.815 122.820 -0.008 0.000 1.930 581 A HA 0.111 4.433 4.320 0.003 0.000 0.215 581 A C 1.243 178.820 177.584 -0.010 0.000 1.176 581 A CA 0.491 52.525 52.037 -0.004 0.000 0.632 581 A CB -0.352 18.631 19.000 -0.028 0.000 0.819 581 A HN 0.496 nan 8.150 nan 0.000 0.445 582 I N 2.915 123.469 120.570 -0.027 0.000 2.494 582 I HA 0.104 4.275 4.170 0.003 0.000 0.289 582 I C -2.044 174.068 176.117 -0.008 0.000 1.106 582 I CA -1.601 59.680 61.300 -0.031 0.000 1.369 582 I CB 0.509 38.480 38.000 -0.049 0.000 1.410 582 I HN 0.197 nan 8.210 nan 0.000 0.523 583 P HA 0.031 nan 4.420 nan 0.000 0.271 583 P C -0.788 176.519 177.300 0.011 0.000 1.218 583 P CA -0.357 62.750 63.100 0.012 0.000 0.780 583 P CB 0.471 32.179 31.700 0.014 0.000 0.901 584 N N 1.029 119.739 118.700 0.017 0.000 2.345 584 N HA 0.069 4.810 4.740 0.003 0.000 0.243 584 N C 1.656 177.180 175.510 0.024 0.000 1.246 584 N CA 1.344 54.404 53.050 0.018 0.000 0.863 584 N CB -0.281 38.217 38.487 0.018 0.000 1.096 584 N HN 0.829 nan 8.380 nan 0.000 0.446 585 G N 0.079 108.897 108.800 0.030 0.000 2.358 585 G HA2 -0.262 3.700 3.960 0.003 0.000 0.224 585 G HA3 -0.262 3.700 3.960 0.003 0.000 0.224 585 G C 0.346 175.297 174.900 0.085 0.000 1.073 585 G CA -0.173 44.962 45.100 0.057 0.000 0.635 585 G HN 0.504 nan 8.290 nan 0.000 0.509 586 I N 1.703 122.303 120.570 0.051 0.000 3.245 586 I HA 0.239 4.411 4.170 0.003 0.000 0.290 586 I C 0.793 176.963 176.117 0.087 0.000 1.269 586 I CA 0.794 62.128 61.300 0.056 0.000 1.383 586 I CB 0.021 38.026 38.000 0.009 0.000 1.337 586 I HN 0.376 nan 8.210 nan 0.000 0.599 587 H N 3.021 122.092 119.070 0.002 0.000 3.079 587 H HA 0.593 5.151 4.556 0.003 0.000 0.356 587 H C -1.751 173.575 175.328 -0.003 0.000 1.221 587 H CA -0.643 55.409 56.048 0.008 0.000 1.185 587 H CB 2.273 32.051 29.762 0.025 0.000 1.882 587 H HN 0.382 nan 8.280 nan 0.000 0.543 588 L N 3.062 124.361 121.223 0.126 0.000 2.795 588 L HA 0.234 4.576 4.340 0.003 0.000 0.260 588 L C -1.441 175.468 176.870 0.064 0.000 0.935 588 L CA -0.025 54.861 54.840 0.077 0.000 0.985 588 L CB 1.825 43.879 42.059 -0.008 0.000 1.433 588 L HN 0.599 nan 8.230 nan 0.000 0.447 589 Q N 3.753 123.624 119.800 0.119 0.000 2.331 589 Q HA 0.525 4.867 4.340 0.003 0.000 0.267 589 Q C -0.165 175.946 176.000 0.184 0.000 1.006 589 Q CA -0.481 55.428 55.803 0.177 0.000 0.818 589 Q CB 2.973 31.856 28.738 0.242 0.000 1.276 589 Q HN 0.705 nan 8.270 nan 0.000 0.450 590 R N 2.105 122.732 120.500 0.212 0.000 1.776 590 R HA 0.291 4.633 4.340 0.003 0.000 0.146 590 R C -0.807 175.748 176.300 0.424 0.000 2.057 590 R CA 0.201 56.418 56.100 0.195 0.000 1.641 590 R CB 0.618 30.933 30.300 0.026 0.000 1.256 590 R HN 0.604 nan 8.270 nan 0.000 0.478 591 F N 1.586 121.571 119.950 0.059 0.000 2.228 591 F HA -0.213 4.316 4.527 0.003 0.000 0.484 591 F C 0.140 175.968 175.800 0.047 0.000 1.239 591 F CA 0.285 58.332 58.000 0.078 0.000 1.558 591 F CB -1.010 38.032 39.000 0.071 0.000 2.443 591 F HN 0.437 nan 8.300 nan 0.000 0.741 592 D N 1.771 122.252 120.400 0.134 0.000 1.992 592 D HA 0.021 4.663 4.640 0.003 0.000 0.280 592 D C 1.497 177.853 176.300 0.093 0.000 1.060 592 D CA 1.037 55.091 54.000 0.089 0.000 0.877 592 D CB 0.184 41.010 40.800 0.044 0.000 1.010 592 D HN 0.660 nan 8.370 nan 0.000 0.385 593 E N 0.063 120.301 120.200 0.062 0.000 2.205 593 E HA 0.206 4.558 4.350 0.003 0.000 0.219 593 E C 1.006 177.641 176.600 0.060 0.000 0.948 593 E CA -0.161 56.272 56.400 0.055 0.000 0.993 593 E CB -0.173 29.544 29.700 0.030 0.000 1.441 593 E HN 0.156 nan 8.360 nan 0.000 0.511 594 G N 1.879 110.699 108.800 0.033 0.000 2.916 594 G HA2 0.172 4.134 3.960 0.003 0.000 0.280 594 G HA3 0.172 4.134 3.960 0.003 0.000 0.280 594 G C -0.670 174.230 174.900 0.001 0.000 0.758 594 G CA 0.062 45.175 45.100 0.022 0.000 1.993 594 G HN -0.024 nan 8.290 nan 0.000 0.564 595 T N 0.730 115.294 114.554 0.016 0.000 2.841 595 T HA 0.610 4.962 4.350 0.003 0.000 0.283 595 T C 0.364 175.015 174.700 -0.081 0.000 1.000 595 T CA -0.478 61.563 62.100 -0.098 0.000 0.977 595 T CB 1.774 70.525 68.868 -0.194 0.000 0.979 595 T HN 0.409 nan 8.240 nan 0.000 0.446 596 T N 0.252 114.683 114.554 -0.204 0.000 4.314 596 T HA 0.281 4.633 4.350 0.003 0.000 0.234 596 T C 0.382 174.975 174.700 -0.179 0.000 0.954 596 T CA -0.709 61.340 62.100 -0.085 0.000 1.329 596 T CB -0.883 67.962 68.868 -0.038 0.000 0.883 596 T HN 0.453 nan 8.240 nan 0.000 0.577 597 L N -0.158 120.880 121.223 -0.310 0.000 4.111 597 L HA -0.187 4.155 4.340 0.003 0.000 0.428 597 L C 0.874 177.460 176.870 -0.474 0.000 1.149 597 L CA 1.213 55.855 54.840 -0.329 0.000 0.981 597 L CB -1.480 40.562 42.059 -0.028 0.000 1.914 597 L HN 0.714 nan 8.230 nan 0.000 1.016 598 L N -1.186 119.702 121.223 -0.558 0.000 4.228 598 L HA 0.106 4.448 4.340 0.003 0.000 0.415 598 L C 0.798 177.433 176.870 -0.391 0.000 1.154 598 L CA 0.515 55.102 54.840 -0.422 0.000 1.451 598 L CB 0.474 42.403 42.059 -0.218 0.000 1.562 598 L HN 0.321 nan 8.230 nan 0.000 0.617 599 S N 1.129 116.541 115.700 -0.481 0.000 4.212 599 S HA -0.109 4.363 4.470 0.003 0.000 0.377 599 S C -1.071 173.433 174.600 -0.159 0.000 0.564 599 S CA -0.078 57.959 58.200 -0.272 0.000 1.469 599 S CB -0.728 62.358 63.200 -0.190 0.000 1.665 599 S HN 0.380 nan 8.310 nan 0.000 0.397 600 P HA -0.176 nan 4.420 nan 0.000 0.214 600 P C 0.981 178.258 177.300 -0.038 0.000 1.163 600 P CA 1.393 64.453 63.100 -0.067 0.000 0.883 600 P CB 0.021 31.692 31.700 -0.049 0.000 0.788 601 K N -0.628 119.755 120.400 -0.028 0.000 2.616 601 K HA -0.086 4.236 4.320 0.003 0.000 0.192 601 K C 0.150 176.751 176.600 0.001 0.000 1.031 601 K CA 0.447 56.728 56.287 -0.010 0.000 1.004 601 K CB -0.813 31.683 32.500 -0.006 0.000 0.810 601 K HN 0.047 nan 8.250 nan 0.000 0.497 602 D N 0.890 121.290 120.400 0.001 0.000 2.697 602 D HA -0.162 4.480 4.640 0.003 0.000 0.238 602 D C -0.402 175.935 176.300 0.062 0.000 1.152 602 D CA 0.438 54.465 54.000 0.045 0.000 0.666 602 D CB -0.990 39.830 40.800 0.034 0.000 1.037 602 D HN 0.211 nan 8.370 nan 0.000 0.423 603 N N -0.273 118.463 118.700 0.060 0.000 2.562 603 N HA 0.615 5.357 4.740 0.003 0.000 0.299 603 N C 1.559 177.114 175.510 0.074 0.000 1.344 603 N CA 0.293 53.369 53.050 0.044 0.000 0.914 603 N CB -0.620 37.878 38.487 0.018 0.000 1.101 603 N HN 0.424 nan 8.380 nan 0.000 0.527 604 G N 0.619 109.432 108.800 0.022 0.000 2.602 604 G HA2 -0.210 3.752 3.960 0.003 0.000 0.317 604 G HA3 -0.210 3.752 3.960 0.003 0.000 0.317 604 G C -0.165 174.654 174.900 -0.134 0.000 1.327 604 G CA 1.308 46.392 45.100 -0.027 0.000 0.971 604 G HN 0.774 nan 8.290 nan 0.000 0.540 605 M N -2.089 117.289 119.600 -0.370 0.000 2.483 605 M HA 0.577 5.059 4.480 0.003 0.000 0.266 605 M C -2.308 173.605 176.300 -0.646 0.000 0.936 605 M CA -0.536 54.434 55.300 -0.551 0.000 0.843 605 M CB 1.069 33.519 32.600 -0.251 0.000 1.911 605 M HN 1.941 nan 8.290 nan 0.000 0.563 606 L N 6.374 127.062 121.223 -0.892 0.000 2.482 606 L HA 0.848 5.190 4.340 0.003 0.000 0.269 606 L C -2.149 174.520 176.870 -0.335 0.000 0.967 606 L CA -0.228 54.302 54.840 -0.517 0.000 0.851 606 L CB 1.721 43.497 42.059 -0.470 0.000 1.242 606 L HN 0.808 nan 8.230 nan 0.000 0.404 607 I N 5.959 126.400 120.570 -0.214 0.000 2.474 607 I HA 0.520 4.692 4.170 0.003 0.000 0.294 607 I C -0.660 175.292 176.117 -0.276 0.000 1.005 607 I CA -0.593 60.592 61.300 -0.192 0.000 1.113 607 I CB 1.995 39.907 38.000 -0.145 0.000 1.289 607 I HN 0.518 nan 8.210 nan 0.000 0.436 608 I N 4.653 125.067 120.570 -0.260 0.000 2.533 608 I HA 0.207 4.379 4.170 0.003 0.000 0.290 608 I C 0.007 176.009 176.117 -0.192 0.000 1.056 608 I CA -0.318 60.752 61.300 -0.384 0.000 1.057 608 I CB 1.822 39.662 38.000 -0.266 0.000 1.240 608 I HN 0.668 nan 8.210 nan 0.000 0.423 609 D N 4.677 124.981 120.400 -0.160 0.000 2.931 609 D HA -0.213 4.429 4.640 0.003 0.000 0.228 609 D C 0.865 177.146 176.300 -0.030 0.000 1.180 609 D CA 1.830 55.809 54.000 -0.034 0.000 0.784 609 D CB -0.624 40.177 40.800 0.002 0.000 1.093 609 D HN 1.176 nan 8.370 nan 0.000 0.421 610 G N -0.783 107.981 108.800 -0.060 0.000 2.204 610 G HA2 -0.232 3.730 3.960 0.003 0.000 0.244 610 G HA3 -0.232 3.730 3.960 0.003 0.000 0.244 610 G C -0.394 174.481 174.900 -0.042 0.000 1.062 610 G CA 0.265 45.339 45.100 -0.043 0.000 0.798 610 G HN 0.431 nan 8.290 nan 0.000 0.496 611 Q N -0.320 119.444 119.800 -0.060 0.000 2.274 611 Q HA 0.415 4.757 4.340 0.003 0.000 0.268 611 Q C 0.470 176.427 176.000 -0.071 0.000 1.015 611 Q CA -0.736 55.039 55.803 -0.047 0.000 0.775 611 Q CB 1.697 30.422 28.738 -0.021 0.000 1.256 611 Q HN 0.465 nan 8.270 nan 0.000 0.442 612 I N 3.752 124.275 120.570 -0.079 0.000 2.664 612 I HA -0.095 4.077 4.170 0.003 0.000 0.284 612 I C 1.372 177.445 176.117 -0.072 0.000 1.154 612 I CA 0.472 61.710 61.300 -0.104 0.000 1.402 612 I CB 0.349 38.281 38.000 -0.112 0.000 1.395 612 I HN 0.621 nan 8.210 nan 0.000 0.545 613 I N 7.333 127.855 120.570 -0.079 0.000 3.035 613 I HA 0.051 4.223 4.170 0.003 0.000 0.271 613 I C 0.005 176.220 176.117 0.164 0.000 1.190 613 I CA 0.490 61.808 61.300 0.031 0.000 1.472 613 I CB 0.216 38.260 38.000 0.074 0.000 1.116 613 I HN 0.598 nan 8.210 nan 0.000 0.443 614 F N -0.473 119.434 119.950 -0.072 0.000 2.780 614 F HA 0.562 5.091 4.527 0.003 0.000 0.320 614 F C -0.774 174.973 175.800 -0.089 0.000 1.118 614 F CA -0.729 57.222 58.000 -0.081 0.000 0.964 614 F CB -0.019 38.932 39.000 -0.082 0.000 1.249 614 F HN -0.057 nan 8.300 nan 0.000 0.455 615 G N 1.746 110.620 108.800 0.123 0.000 3.069 615 G HA2 0.390 4.352 3.960 0.003 0.000 0.686 615 G HA3 0.390 4.352 3.960 0.003 0.000 0.686 615 G C -1.214 173.645 174.900 -0.068 0.000 1.161 615 G CA -0.640 44.459 45.100 -0.001 0.000 0.804 615 G HN 1.603 nan 8.290 nan 0.000 0.608 616 V N 1.265 121.154 119.914 -0.041 0.000 2.788 616 V HA 0.322 4.444 4.120 0.003 0.000 0.307 616 V C 1.240 177.282 176.094 -0.087 0.000 1.069 616 V CA -0.361 61.901 62.300 -0.064 0.000 1.173 616 V CB 1.372 33.168 31.823 -0.045 0.000 0.925 616 V HN 0.945 nan 8.190 nan 0.000 0.492 617 V N 5.020 124.873 119.914 -0.102 0.000 2.333 617 V HA 0.567 4.689 4.120 0.003 0.000 0.274 617 V C -0.041 175.999 176.094 -0.090 0.000 1.028 617 V CA -0.228 62.008 62.300 -0.105 0.000 0.851 617 V CB 0.740 32.488 31.823 -0.125 0.000 1.000 617 V HN 1.194 nan 8.190 nan 0.000 0.456 618 E N 2.670 122.827 120.200 -0.071 0.000 2.460 618 E HA 0.439 4.791 4.350 0.003 0.000 0.277 618 E C 0.667 177.242 176.600 -0.042 0.000 1.010 618 E CA -1.017 55.349 56.400 -0.057 0.000 0.838 618 E CB 0.826 30.498 29.700 -0.047 0.000 1.448 618 E HN 0.102 nan 8.360 nan 0.000 0.462 619 K N 0.256 120.637 120.400 -0.030 0.000 2.195 619 K HA -0.390 3.931 4.320 0.003 0.000 0.216 619 K C 1.194 177.785 176.600 -0.016 0.000 1.039 619 K CA 2.704 58.980 56.287 -0.018 0.000 0.940 619 K CB -0.247 32.249 32.500 -0.007 0.000 0.778 619 K HN 0.487 nan 8.250 nan 0.000 0.475 620 K N -1.169 119.221 120.400 -0.017 0.000 2.365 620 K HA -0.032 4.290 4.320 0.003 0.000 0.199 620 K C 1.696 178.285 176.600 -0.019 0.000 1.045 620 K CA 1.422 57.702 56.287 -0.012 0.000 0.962 620 K CB 0.235 32.730 32.500 -0.008 0.000 0.759 620 K HN 0.204 nan 8.250 nan 0.000 0.469 621 T N -0.541 113.992 114.554 -0.036 0.000 3.018 621 T HA 0.037 4.389 4.350 0.003 0.000 0.246 621 T C 1.184 175.850 174.700 -0.058 0.000 1.026 621 T CA 0.268 62.338 62.100 -0.049 0.000 1.081 621 T CB 0.624 69.448 68.868 -0.073 0.000 0.970 621 T HN -0.019 nan 8.240 nan 0.000 0.475 622 V N 1.475 121.352 119.914 -0.062 0.000 3.166 622 V HA 0.581 4.703 4.120 0.003 0.000 0.332 622 V C 0.536 176.594 176.094 -0.060 0.000 1.434 622 V CA -0.089 62.161 62.300 -0.083 0.000 1.121 622 V CB -0.007 31.753 31.823 -0.104 0.000 1.062 622 V HN 0.422 nan 8.190 nan 0.000 0.489 623 G N 0.049 108.832 108.800 -0.029 0.000 2.705 623 G HA2 0.405 4.367 3.960 0.003 0.000 0.299 623 G HA3 0.405 4.367 3.960 0.003 0.000 0.299 623 G C 0.306 175.211 174.900 0.008 0.000 1.315 623 G CA 0.184 45.284 45.100 -0.000 0.000 1.045 623 G HN 0.540 nan 8.290 nan 0.000 0.517 624 S N -0.003 115.708 115.700 0.019 0.000 3.864 624 S HA 0.316 4.788 4.470 0.003 0.000 0.202 624 S C 0.735 175.322 174.600 -0.022 0.000 1.402 624 S CA -0.106 58.097 58.200 0.005 0.000 1.072 624 S CB -0.937 62.266 63.200 0.005 0.000 1.383 624 S HN 0.845 nan 8.310 nan 0.000 0.458 625 S N 0.816 116.505 115.700 -0.019 0.000 2.713 625 S HA 0.412 4.883 4.470 0.003 0.000 0.283 625 S C 0.913 175.489 174.600 -0.040 0.000 1.161 625 S CA -0.921 57.269 58.200 -0.017 0.000 0.999 625 S CB 0.754 63.956 63.200 0.003 0.000 1.039 625 S HN 0.351 nan 8.310 nan 0.000 0.548 626 N N 1.480 120.171 118.700 -0.014 0.000 2.008 626 N HA -0.080 4.662 4.740 0.003 0.000 0.190 626 N C 1.619 177.234 175.510 0.175 0.000 1.098 626 N CA 1.691 54.746 53.050 0.008 0.000 0.894 626 N CB -1.172 37.355 38.487 0.066 0.000 1.056 626 N HN 0.909 nan 8.380 nan 0.000 0.432 627 G N 0.557 109.468 108.800 0.185 0.000 3.286 627 G HA2 0.146 4.108 3.960 0.003 0.000 0.213 627 G HA3 0.146 4.108 3.960 0.003 0.000 0.213 627 G C 0.628 175.607 174.900 0.131 0.000 1.274 627 G CA 0.330 45.543 45.100 0.188 0.000 1.218 627 G HN 0.493 nan 8.290 nan 0.000 0.504 628 G N -0.958 107.925 108.800 0.139 0.000 2.667 628 G HA2 0.243 4.205 3.960 0.003 0.000 0.250 628 G HA3 0.243 4.205 3.960 0.003 0.000 0.250 628 G C 1.101 176.038 174.900 0.061 0.000 1.212 628 G CA -0.629 44.515 45.100 0.073 0.000 0.874 628 G HN 0.223 nan 8.290 nan 0.000 0.561 629 L N 0.347 121.569 121.223 -0.001 0.000 1.989 629 L HA -0.123 4.219 4.340 0.003 0.000 0.211 629 L C 2.863 179.718 176.870 -0.024 0.000 1.071 629 L CA 1.344 56.165 54.840 -0.031 0.000 0.749 629 L CB -0.327 41.684 42.059 -0.081 0.000 0.890 629 L HN 0.612 nan 8.230 nan 0.000 0.431 630 I N -0.941 119.602 120.570 -0.047 0.000 2.069 630 I HA -0.421 3.751 4.170 0.003 0.000 0.237 630 I C 2.555 178.723 176.117 0.085 0.000 1.053 630 I CA 1.663 62.941 61.300 -0.036 0.000 1.311 630 I CB -0.910 37.065 38.000 -0.042 0.000 1.030 630 I HN 0.416 nan 8.210 nan 0.000 0.398 631 H N 0.925 119.991 119.070 -0.007 0.000 2.407 631 H HA -0.188 4.370 4.556 0.003 0.000 0.293 631 H C 1.910 177.243 175.328 0.008 0.000 1.122 631 H CA 2.128 58.181 56.048 0.007 0.000 1.232 631 H CB -0.450 29.317 29.762 0.009 0.000 1.361 631 H HN 0.144 nan 8.280 nan 0.000 0.498 632 V N -0.820 119.117 119.914 0.038 0.000 2.251 632 V HA -0.200 3.922 4.120 0.003 0.000 0.237 632 V C 2.742 178.833 176.094 -0.006 0.000 1.040 632 V CA 1.351 63.630 62.300 -0.036 0.000 1.005 632 V CB -1.052 30.764 31.823 -0.012 0.000 0.645 632 V HN 0.296 nan 8.190 nan 0.000 0.458 633 V N 0.727 120.643 119.914 0.005 0.000 2.265 633 V HA -0.421 3.701 4.120 0.003 0.000 0.259 633 V C 2.497 178.607 176.094 0.027 0.000 1.084 633 V CA 2.966 65.272 62.300 0.010 0.000 1.076 633 V CB -1.797 30.021 31.823 -0.009 0.000 0.680 633 V HN 0.706 nan 8.190 nan 0.000 0.452 634 T N -0.271 114.310 114.554 0.045 0.000 2.595 634 T HA -0.226 4.126 4.350 0.003 0.000 0.264 634 T C 2.012 176.736 174.700 0.040 0.000 1.058 634 T CA 1.622 63.758 62.100 0.060 0.000 1.166 634 T CB -0.361 68.562 68.868 0.091 0.000 0.863 634 T HN 0.283 nan 8.240 nan 0.000 0.415 635 R N 0.691 121.203 120.500 0.021 0.000 2.193 635 R HA 0.033 4.375 4.340 0.003 0.000 0.229 635 R C 2.236 178.541 176.300 0.009 0.000 1.110 635 R CA 1.051 57.154 56.100 0.005 0.000 0.988 635 R CB -0.247 30.018 30.300 -0.058 0.000 0.871 635 R HN 0.493 nan 8.270 nan 0.000 0.458 636 E N 0.131 120.336 120.200 0.009 0.000 2.075 636 E HA 0.015 4.367 4.350 0.003 0.000 0.193 636 E C 1.620 178.238 176.600 0.031 0.000 0.950 636 E CA 0.626 57.037 56.400 0.019 0.000 0.859 636 E CB 0.165 29.878 29.700 0.021 0.000 0.846 636 E HN -0.174 nan 8.360 nan 0.000 0.467 637 K N -0.233 120.186 120.400 0.032 0.000 2.103 637 K HA 0.197 4.519 4.320 0.003 0.000 0.204 637 K C 0.543 177.164 176.600 0.036 0.000 1.052 637 K CA 1.062 57.370 56.287 0.034 0.000 0.945 637 K CB 0.287 32.806 32.500 0.031 0.000 0.722 637 K HN 0.280 nan 8.250 nan 0.000 0.443 638 G N -0.049 108.774 108.800 0.039 0.000 2.345 638 G HA2 -0.001 3.961 3.960 0.003 0.000 0.310 638 G HA3 -0.001 3.961 3.960 0.003 0.000 0.310 638 G C -2.670 172.258 174.900 0.047 0.000 1.476 638 G CA -0.508 44.616 45.100 0.041 0.000 0.978 638 G HN -0.222 nan 8.290 nan 0.000 0.656 639 P HA -0.024 nan 4.420 nan 0.000 0.221 639 P C 1.199 178.531 177.300 0.053 0.000 1.155 639 P CA 0.979 64.108 63.100 0.047 0.000 0.812 639 P CB 0.381 32.099 31.700 0.031 0.000 0.801 640 Q N -0.042 119.784 119.800 0.043 0.000 2.083 640 Q HA -0.030 4.312 4.340 0.003 0.000 0.198 640 Q C 2.344 178.377 176.000 0.055 0.000 0.969 640 Q CA 1.112 56.941 55.803 0.042 0.000 0.838 640 Q CB -0.856 27.900 28.738 0.029 0.000 0.900 640 Q HN 0.157 nan 8.270 nan 0.000 0.436 641 V N 0.313 120.258 119.914 0.051 0.000 2.427 641 V HA -0.241 3.880 4.120 0.003 0.000 0.248 641 V C 2.460 178.596 176.094 0.069 0.000 1.051 641 V CA 1.563 63.894 62.300 0.052 0.000 1.048 641 V CB -0.645 31.202 31.823 0.039 0.000 0.666 641 V HN 0.456 nan 8.190 nan 0.000 0.456 642 C N 0.398 119.750 119.300 0.087 0.000 2.450 642 C HA 0.087 4.549 4.460 0.003 0.000 0.279 642 C C 2.991 178.134 174.990 0.254 0.000 1.335 642 C CA 0.570 59.660 59.018 0.121 0.000 1.749 642 C CB -1.126 26.694 27.740 0.132 0.000 1.963 642 C HN 0.560 nan 8.230 nan 0.000 0.501 643 A N -0.038 122.914 122.820 0.220 0.000 1.929 643 A HA -0.121 4.201 4.320 0.003 0.000 0.216 643 A C 2.279 180.008 177.584 0.241 0.000 1.176 643 A CA 1.651 53.836 52.037 0.247 0.000 0.628 643 A CB -0.632 18.425 19.000 0.095 0.000 0.816 643 A HN 0.704 nan 8.150 nan 0.000 0.444 644 K N -0.792 119.698 120.400 0.149 0.000 2.211 644 K HA -0.093 4.229 4.320 0.003 0.000 0.203 644 K C 1.834 178.505 176.600 0.118 0.000 1.050 644 K CA 1.100 57.453 56.287 0.110 0.000 0.945 644 K CB -0.226 32.315 32.500 0.068 0.000 0.732 644 K HN 0.389 nan 8.250 nan 0.000 0.451 645 L N 0.522 121.811 121.223 0.110 0.000 1.994 645 L HA -0.128 4.214 4.340 0.003 0.000 0.208 645 L C 1.647 178.531 176.870 0.022 0.000 1.071 645 L CA 1.731 56.583 54.840 0.020 0.000 0.745 645 L CB -0.685 41.326 42.059 -0.079 0.000 0.892 645 L HN 0.078 nan 8.230 nan 0.000 0.431 646 F N 0.437 120.396 119.950 0.015 0.000 2.087 646 F HA -0.207 4.322 4.527 0.003 0.000 0.299 646 F C 2.477 178.291 175.800 0.023 0.000 1.100 646 F CA 1.821 59.831 58.000 0.016 0.000 1.226 646 F CB -1.534 37.478 39.000 0.019 0.000 0.983 646 F HN 0.245 nan 8.300 nan 0.000 0.479 647 G N 0.250 109.195 108.800 0.241 0.000 2.628 647 G HA2 -0.335 3.627 3.960 0.003 0.000 0.217 647 G HA3 -0.335 3.627 3.960 0.003 0.000 0.217 647 G C 1.609 176.577 174.900 0.114 0.000 1.240 647 G CA 1.316 46.506 45.100 0.149 0.000 0.792 647 G HN 0.286 nan 8.290 nan 0.000 0.593 648 N N 1.026 119.778 118.700 0.086 0.000 2.002 648 N HA -0.166 4.576 4.740 0.003 0.000 0.199 648 N C 2.284 177.822 175.510 0.047 0.000 1.060 648 N CA 1.570 54.660 53.050 0.067 0.000 0.867 648 N CB -0.815 37.698 38.487 0.043 0.000 1.069 648 N HN 0.389 nan 8.380 nan 0.000 0.430 649 I N 1.807 122.381 120.570 0.008 0.000 2.130 649 I HA -0.426 3.746 4.170 0.003 0.000 0.241 649 I C 2.609 178.726 176.117 0.000 0.000 1.023 649 I CA 1.722 63.007 61.300 -0.026 0.000 1.293 649 I CB -0.518 37.441 38.000 -0.069 0.000 1.001 649 I HN 0.302 nan 8.210 nan 0.000 0.407 650 Q N 0.506 120.332 119.800 0.043 0.000 1.985 650 Q HA -0.279 4.063 4.340 0.003 0.000 0.207 650 Q C 2.241 178.270 176.000 0.048 0.000 0.996 650 Q CA 2.013 57.852 55.803 0.060 0.000 0.851 650 Q CB -0.281 28.520 28.738 0.106 0.000 0.921 650 Q HN 0.499 nan 8.270 nan 0.000 0.418 651 K N 0.150 120.604 120.400 0.090 0.000 2.015 651 K HA -0.218 4.104 4.320 0.003 0.000 0.216 651 K C 2.191 178.760 176.600 -0.052 0.000 1.052 651 K CA 1.950 58.302 56.287 0.107 0.000 0.937 651 K CB -0.606 32.096 32.500 0.336 0.000 0.719 651 K HN 0.028 nan 8.250 nan 0.000 0.446 652 V N 1.345 121.258 119.914 -0.001 0.000 2.215 652 V HA -0.304 3.818 4.120 0.003 0.000 0.246 652 V C 2.403 178.483 176.094 -0.023 0.000 1.047 652 V CA 2.061 64.341 62.300 -0.034 0.000 0.999 652 V CB -0.649 31.150 31.823 -0.040 0.000 0.635 652 V HN 0.138 nan 8.190 nan 0.000 0.450 653 V N 0.797 120.687 119.914 -0.040 0.000 2.218 653 V HA -0.385 3.737 4.120 0.003 0.000 0.251 653 V C 2.335 178.459 176.094 0.051 0.000 1.057 653 V CA 2.605 64.893 62.300 -0.019 0.000 1.022 653 V CB -1.194 30.603 31.823 -0.044 0.000 0.645 653 V HN 0.620 nan 8.190 nan 0.000 0.451 654 N N -0.182 118.523 118.700 0.009 0.000 2.089 654 N HA -0.279 4.463 4.740 0.003 0.000 0.198 654 N C 1.683 177.148 175.510 -0.074 0.000 1.017 654 N CA 2.362 55.406 53.050 -0.010 0.000 0.880 654 N CB -0.739 37.740 38.487 -0.013 0.000 1.042 654 N HN 0.608 nan 8.380 nan 0.000 0.446 655 F N 0.008 119.729 119.950 -0.381 0.000 2.216 655 F HA -0.129 4.400 4.527 0.003 0.000 0.300 655 F C 2.314 177.827 175.800 -0.478 0.000 1.085 655 F CA 1.131 58.775 58.000 -0.593 0.000 1.326 655 F CB -0.454 37.899 39.000 -1.079 0.000 1.027 655 F HN 0.165 nan 8.300 nan 0.000 0.497 656 W N 0.731 121.712 121.300 -0.532 0.000 2.418 656 W HA -0.129 4.533 4.660 0.003 0.000 0.319 656 W C 2.144 178.428 176.519 -0.392 0.000 1.183 656 W CA 1.590 58.612 57.345 -0.539 0.000 1.327 656 W CB -0.772 28.527 29.460 -0.268 0.000 1.163 656 W HN 0.068 nan 8.180 nan 0.000 0.479 657 L N 1.307 122.591 121.223 0.102 0.000 2.349 657 L HA -0.145 4.196 4.340 0.003 0.000 0.220 657 L C 2.094 178.852 176.870 -0.187 0.000 1.130 657 L CA 1.847 56.648 54.840 -0.065 0.000 0.791 657 L CB -1.298 40.846 42.059 0.142 0.000 0.918 657 L HN 0.273 nan 8.230 nan 0.000 0.444 658 L N -1.107 119.978 121.223 -0.229 0.000 2.083 658 L HA -0.190 4.152 4.340 0.003 0.000 0.209 658 L C 2.215 179.078 176.870 -0.012 0.000 1.083 658 L CA 1.858 56.624 54.840 -0.123 0.000 0.752 658 L CB -0.617 41.355 42.059 -0.145 0.000 0.899 658 L HN 0.408 nan 8.230 nan 0.000 0.433 659 H N -2.041 116.765 119.070 -0.439 0.000 2.406 659 H HA 0.137 4.695 4.556 0.003 0.000 0.304 659 H C 1.880 176.948 175.328 -0.433 0.000 1.042 659 H CA 0.947 56.747 56.048 -0.414 0.000 1.360 659 H CB -0.668 28.800 29.762 -0.489 0.000 1.448 659 H HN 0.290 nan 8.280 nan 0.000 0.553 660 N N 1.015 119.378 118.700 -0.562 0.000 2.651 660 N HA -0.053 4.689 4.740 0.003 0.000 0.193 660 N C 0.466 175.799 175.510 -0.295 0.000 1.149 660 N CA 0.757 53.433 53.050 -0.625 0.000 0.933 660 N CB 0.001 37.664 38.487 -1.374 0.000 0.974 660 N HN 0.526 nan 8.380 nan 0.000 0.448 661 G N -0.533 108.160 108.800 -0.179 0.000 3.032 661 G HA2 -0.206 3.756 3.960 0.003 0.000 0.348 661 G HA3 -0.206 3.756 3.960 0.003 0.000 0.348 661 G C -0.629 174.340 174.900 0.115 0.000 1.541 661 G CA 0.184 45.261 45.100 -0.039 0.000 1.020 661 G HN 0.358 nan 8.290 nan 0.000 0.562 662 F N 0.096 120.011 119.950 -0.059 0.000 2.740 662 F HA 0.618 5.146 4.527 0.003 0.000 0.312 662 F C -0.179 175.613 175.800 -0.014 0.000 1.121 662 F CA 0.421 58.405 58.000 -0.026 0.000 0.977 662 F CB 1.248 40.245 39.000 -0.005 0.000 1.265 662 F HN 1.638 nan 8.300 nan 0.000 0.443 663 S N 2.091 117.082 115.700 -1.182 0.000 2.671 663 S HA 0.871 5.343 4.470 0.003 0.000 0.270 663 S C -1.841 172.329 174.600 -0.716 0.000 1.166 663 S CA -0.000 57.754 58.200 -0.744 0.000 0.868 663 S CB 1.585 64.587 63.200 -0.329 0.000 1.190 663 S HN 0.963 nan 8.310 nan 0.000 0.494 664 T N 0.303 114.646 114.554 -0.353 0.000 3.047 664 T HA 0.729 5.081 4.350 0.003 0.000 0.340 664 T C -0.619 174.009 174.700 -0.121 0.000 1.421 664 T CA -0.113 61.858 62.100 -0.216 0.000 1.090 664 T CB 1.401 70.173 68.868 -0.160 0.000 1.292 664 T HN 1.353 nan 8.240 nan 0.000 0.480 665 G N 0.941 109.692 108.800 -0.081 0.000 2.703 665 G HA2 0.502 4.464 3.960 0.003 0.000 0.294 665 G HA3 0.502 4.464 3.960 0.003 0.000 0.294 665 G C 0.700 175.583 174.900 -0.028 0.000 1.451 665 G CA -0.642 44.427 45.100 -0.051 0.000 0.869 665 G HN 0.744 nan 8.290 nan 0.000 0.516 666 I N 0.329 120.889 120.570 -0.017 0.000 2.308 666 I HA -0.304 3.868 4.170 0.003 0.000 0.248 666 I C 2.457 178.575 176.117 0.001 0.000 1.002 666 I CA 2.360 63.658 61.300 -0.003 0.000 1.307 666 I CB -1.392 36.608 38.000 -0.001 0.000 0.997 666 I HN 0.673 nan 8.210 nan 0.000 0.431 667 G N -0.013 108.784 108.800 -0.005 0.000 2.479 667 G HA2 -0.223 3.739 3.960 0.003 0.000 0.220 667 G HA3 -0.223 3.739 3.960 0.003 0.000 0.220 667 G C 1.295 176.199 174.900 0.007 0.000 1.115 667 G CA 1.075 46.175 45.100 0.000 0.000 0.757 667 G HN 0.562 nan 8.290 nan 0.000 0.560 668 D N 0.001 120.404 120.400 0.004 0.000 2.317 668 D HA -0.055 4.587 4.640 0.003 0.000 0.211 668 D C 2.489 178.806 176.300 0.028 0.000 0.966 668 D CA 1.428 55.438 54.000 0.016 0.000 0.876 668 D CB 0.065 40.870 40.800 0.009 0.000 0.927 668 D HN 0.508 nan 8.370 nan 0.000 0.519 669 T N -1.401 113.168 114.554 0.025 0.000 3.086 669 T HA 0.210 4.562 4.350 0.003 0.000 0.250 669 T C 0.939 175.661 174.700 0.035 0.000 1.074 669 T CA -0.248 61.873 62.100 0.035 0.000 0.988 669 T CB -0.124 68.765 68.868 0.036 0.000 0.988 669 T HN 0.006 nan 8.240 nan 0.000 0.530 670 I N 1.310 121.898 120.570 0.029 0.000 2.382 670 I HA 0.771 4.943 4.170 0.003 0.000 0.286 670 I C 0.107 176.241 176.117 0.029 0.000 1.002 670 I CA -1.497 59.820 61.300 0.027 0.000 1.135 670 I CB 1.512 39.524 38.000 0.021 0.000 1.288 670 I HN 0.043 nan 8.210 nan 0.000 0.448 671 A N 3.640 126.479 122.820 0.032 0.000 2.281 671 A HA 0.450 4.772 4.320 0.003 0.000 0.329 671 A C -0.404 177.198 177.584 0.028 0.000 1.122 671 A CA -0.561 51.496 52.037 0.034 0.000 0.850 671 A CB 0.724 19.749 19.000 0.041 0.000 1.207 671 A HN 0.744 nan 8.150 nan 0.000 0.495 672 D N 0.449 120.865 120.400 0.028 0.000 3.046 672 D HA 0.066 4.707 4.640 0.003 0.000 0.213 672 D C 1.653 177.966 176.300 0.023 0.000 1.074 672 D CA 1.603 55.617 54.000 0.024 0.000 0.785 672 D CB 0.502 41.316 40.800 0.024 0.000 1.160 672 D HN 0.617 nan 8.370 nan 0.000 0.524 673 G N 5.108 113.919 108.800 0.019 0.000 2.529 673 G HA2 -0.245 3.717 3.960 0.003 0.000 0.219 673 G HA3 -0.245 3.717 3.960 0.003 0.000 0.219 673 G C -0.622 174.290 174.900 0.019 0.000 1.177 673 G CA 0.877 45.988 45.100 0.018 0.000 0.773 673 G HN 0.576 nan 8.290 nan 0.000 0.573 674 P HA -0.078 nan 4.420 nan 0.000 0.216 674 P C 1.688 179.001 177.300 0.023 0.000 1.150 674 P CA 1.743 64.855 63.100 0.019 0.000 0.837 674 P CB -0.397 31.313 31.700 0.018 0.000 0.786 675 T N -0.448 114.121 114.554 0.025 0.000 2.929 675 T HA -0.087 4.265 4.350 0.003 0.000 0.271 675 T C 1.916 176.635 174.700 0.032 0.000 1.085 675 T CA 1.039 63.157 62.100 0.030 0.000 1.125 675 T CB -0.403 68.485 68.868 0.034 0.000 0.874 675 T HN 0.007 nan 8.240 nan 0.000 0.494 676 M N 0.669 120.286 119.600 0.028 0.000 2.074 676 M HA 0.044 4.526 4.480 0.003 0.000 0.258 676 M C 2.507 178.824 176.300 0.028 0.000 1.083 676 M CA 1.405 56.722 55.300 0.028 0.000 1.128 676 M CB -0.860 31.754 32.600 0.024 0.000 1.301 676 M HN 0.095 nan 8.290 nan 0.000 0.417 677 R N 0.460 120.975 120.500 0.024 0.000 2.119 677 R HA -0.239 4.103 4.340 0.003 0.000 0.246 677 R C 1.994 178.309 176.300 0.025 0.000 1.146 677 R CA 2.218 58.332 56.100 0.023 0.000 0.962 677 R CB -0.385 29.926 30.300 0.019 0.000 0.863 677 R HN 0.466 nan 8.270 nan 0.000 0.442 678 E N 0.094 120.310 120.200 0.025 0.000 2.219 678 E HA -0.213 4.139 4.350 0.003 0.000 0.198 678 E C 1.791 178.410 176.600 0.032 0.000 0.998 678 E CA 1.402 57.818 56.400 0.027 0.000 0.818 678 E CB -0.029 29.687 29.700 0.028 0.000 0.741 678 E HN 0.472 nan 8.360 nan 0.000 0.477 679 I N -0.056 120.536 120.570 0.036 0.000 2.385 679 I HA -0.162 4.010 4.170 0.003 0.000 0.244 679 I C 2.308 178.451 176.117 0.045 0.000 1.089 679 I CA 1.017 62.344 61.300 0.044 0.000 1.410 679 I CB -0.431 37.598 38.000 0.047 0.000 1.117 679 I HN 0.082 nan 8.210 nan 0.000 0.429 680 T N 1.301 115.879 114.554 0.039 0.000 2.714 680 T HA -0.260 4.092 4.350 0.003 0.000 0.268 680 T C 1.561 176.283 174.700 0.038 0.000 1.036 680 T CA 2.113 64.237 62.100 0.040 0.000 1.148 680 T CB -0.468 68.420 68.868 0.032 0.000 0.856 680 T HN 0.617 nan 8.240 nan 0.000 0.462 681 E N 0.293 120.510 120.200 0.030 0.000 2.250 681 E HA -0.014 4.338 4.350 0.003 0.000 0.192 681 E C 1.886 178.498 176.600 0.019 0.000 0.986 681 E CA 0.862 57.275 56.400 0.021 0.000 0.849 681 E CB -0.522 29.188 29.700 0.016 0.000 0.797 681 E HN 0.279 nan 8.360 nan 0.000 0.482 682 T N 1.400 115.972 114.554 0.029 0.000 2.962 682 T HA 0.013 4.365 4.350 0.003 0.000 0.270 682 T C 1.784 176.504 174.700 0.033 0.000 1.088 682 T CA 0.816 62.934 62.100 0.030 0.000 1.127 682 T CB -0.091 68.803 68.868 0.043 0.000 0.883 682 T HN 0.188 nan 8.240 nan 0.000 0.493 683 I N 0.962 121.560 120.570 0.046 0.000 2.296 683 I HA 0.014 4.186 4.170 0.003 0.000 0.242 683 I C 2.919 179.042 176.117 0.011 0.000 1.087 683 I CA 0.764 62.099 61.300 0.059 0.000 1.393 683 I CB -0.475 37.592 38.000 0.113 0.000 1.093 683 I HN 0.128 nan 8.210 nan 0.000 0.421 684 A N 1.478 124.307 122.820 0.015 0.000 1.978 684 A HA -0.248 4.074 4.320 0.003 0.000 0.220 684 A C 2.160 179.727 177.584 -0.028 0.000 1.170 684 A CA 2.043 54.078 52.037 -0.004 0.000 0.636 684 A CB -0.790 18.215 19.000 0.009 0.000 0.810 684 A HN 0.669 nan 8.150 nan 0.000 0.448 685 E N -0.254 119.929 120.200 -0.027 0.000 2.204 685 E HA 0.088 4.439 4.350 0.003 0.000 0.194 685 E C 1.661 178.209 176.600 -0.088 0.000 0.989 685 E CA 1.006 57.377 56.400 -0.047 0.000 0.824 685 E CB -0.318 29.362 29.700 -0.033 0.000 0.756 685 E HN 0.437 nan 8.360 nan 0.000 0.477 686 A N 0.885 123.654 122.820 -0.084 0.000 2.169 686 A HA 0.053 4.375 4.320 0.003 0.000 0.212 686 A C 1.912 179.403 177.584 -0.154 0.000 1.153 686 A CA 0.526 52.485 52.037 -0.129 0.000 0.756 686 A CB -0.094 18.861 19.000 -0.076 0.000 0.813 686 A HN 0.106 nan 8.150 nan 0.000 0.471 687 K N -0.117 120.212 120.400 -0.118 0.000 2.116 687 K HA 0.014 4.336 4.320 0.003 0.000 0.203 687 K C 1.734 178.283 176.600 -0.086 0.000 1.052 687 K CA 1.065 57.288 56.287 -0.108 0.000 0.952 687 K CB -0.038 32.421 32.500 -0.069 0.000 0.729 687 K HN 0.316 nan 8.250 nan 0.000 0.446 688 K N 0.813 121.161 120.400 -0.087 0.000 2.228 688 K HA -0.071 4.251 4.320 0.003 0.000 0.202 688 K C 1.851 178.377 176.600 -0.123 0.000 1.051 688 K CA 0.711 56.952 56.287 -0.077 0.000 0.960 688 K CB 0.159 32.622 32.500 -0.060 0.000 0.743 688 K HN -0.029 nan 8.250 nan 0.000 0.458 689 K N 0.728 120.999 120.400 -0.216 0.000 2.362 689 K HA -0.060 4.262 4.320 0.003 0.000 0.200 689 K C 1.547 177.919 176.600 -0.380 0.000 1.046 689 K CA 0.499 56.551 56.287 -0.390 0.000 0.952 689 K CB 0.342 32.457 32.500 -0.641 0.000 0.753 689 K HN -0.074 nan 8.250 nan 0.000 0.466 690 V N 0.563 120.371 119.914 -0.177 0.000 2.391 690 V HA -0.157 3.965 4.120 0.003 0.000 0.237 690 V C 1.933 178.074 176.094 0.079 0.000 1.046 690 V CA 0.896 63.211 62.300 0.025 0.000 1.053 690 V CB -0.317 31.525 31.823 0.032 0.000 0.704 690 V HN 0.297 nan 8.190 nan 0.000 0.475 691 L N 1.044 122.286 121.223 0.031 0.000 2.034 691 L HA -0.293 4.049 4.340 0.003 0.000 0.217 691 L C 1.984 178.876 176.870 0.036 0.000 1.077 691 L CA 2.498 57.362 54.840 0.040 0.000 0.769 691 L CB -1.125 40.939 42.059 0.009 0.000 0.890 691 L HN 0.367 nan 8.230 nan 0.000 0.435 692 D N -0.626 119.781 120.400 0.011 0.000 2.106 692 D HA -0.185 4.457 4.640 0.003 0.000 0.191 692 D C 2.200 178.522 176.300 0.038 0.000 0.997 692 D CA 1.964 55.969 54.000 0.008 0.000 0.834 692 D CB -0.437 40.355 40.800 -0.014 0.000 0.956 692 D HN 0.347 nan 8.370 nan 0.000 0.448 693 V N 0.666 120.635 119.914 0.093 0.000 2.970 693 V HA -0.144 3.978 4.120 0.003 0.000 0.260 693 V C 2.218 178.379 176.094 0.113 0.000 1.100 693 V CA 1.548 63.942 62.300 0.156 0.000 1.122 693 V CB -0.708 31.308 31.823 0.321 0.000 0.721 693 V HN 0.219 nan 8.190 nan 0.000 0.483 694 T N -0.246 114.374 114.554 0.111 0.000 2.732 694 T HA -0.140 4.212 4.350 0.003 0.000 0.261 694 T C 1.949 176.569 174.700 -0.133 0.000 1.040 694 T CA 1.223 63.324 62.100 0.001 0.000 1.145 694 T CB -0.128 68.805 68.868 0.109 0.000 0.866 694 T HN 0.427 nan 8.240 nan 0.000 0.427 695 K N 0.932 121.298 120.400 -0.057 0.000 2.103 695 K HA -0.035 4.287 4.320 0.003 0.000 0.204 695 K C 2.354 178.906 176.600 -0.080 0.000 1.052 695 K CA 0.904 57.149 56.287 -0.070 0.000 0.945 695 K CB -0.109 32.370 32.500 -0.034 0.000 0.722 695 K HN 0.420 nan 8.250 nan 0.000 0.443 696 E N 0.357 120.525 120.200 -0.053 0.000 2.455 696 E HA -0.179 4.173 4.350 0.003 0.000 0.202 696 E C 1.088 177.640 176.600 -0.080 0.000 1.045 696 E CA 0.838 57.214 56.400 -0.041 0.000 0.872 696 E CB 0.127 29.828 29.700 0.001 0.000 0.792 696 E HN 0.323 nan 8.360 nan 0.000 0.542 697 A N -0.213 122.509 122.820 -0.163 0.000 2.287 697 A HA 0.125 4.447 4.320 0.003 0.000 0.214 697 A C 1.514 178.951 177.584 -0.245 0.000 1.228 697 A CA -0.277 51.618 52.037 -0.237 0.000 0.939 697 A CB 0.332 19.063 19.000 -0.448 0.000 0.992 697 A HN 0.166 nan 8.150 nan 0.000 0.502 698 Q N -0.416 119.254 119.800 -0.217 0.000 2.373 698 Q HA 0.264 4.606 4.340 0.003 0.000 0.206 698 Q C 1.066 176.999 176.000 -0.113 0.000 0.942 698 Q CA 0.513 56.209 55.803 -0.178 0.000 0.953 698 Q CB 0.131 28.779 28.738 -0.151 0.000 1.022 698 Q HN 0.614 nan 8.270 nan 0.000 0.502 699 A N 0.381 123.142 122.820 -0.099 0.000 2.551 699 A HA 0.130 4.452 4.320 0.003 0.000 0.252 699 A C 0.488 178.038 177.584 -0.057 0.000 1.199 699 A CA -0.036 51.962 52.037 -0.065 0.000 0.972 699 A CB 0.352 19.322 19.000 -0.049 0.000 1.153 699 A HN 0.377 nan 8.150 nan 0.000 0.559 700 N N -0.674 117.983 118.700 -0.071 0.000 2.780 700 N HA -0.130 4.612 4.740 0.003 0.000 0.248 700 N C -0.014 175.473 175.510 -0.037 0.000 1.102 700 N CA 0.996 54.013 53.050 -0.055 0.000 0.697 700 N CB -1.990 36.472 38.487 -0.041 0.000 1.028 700 N HN 0.448 nan 8.380 nan 0.000 0.554 701 L N -0.786 120.414 121.223 -0.038 0.000 2.791 701 L HA 0.328 4.670 4.340 0.003 0.000 0.239 701 L C 0.457 177.321 176.870 -0.010 0.000 1.203 701 L CA -0.074 54.754 54.840 -0.020 0.000 1.002 701 L CB 0.098 42.146 42.059 -0.018 0.000 1.295 701 L HN 0.189 nan 8.230 nan 0.000 0.504 702 L N 0.497 121.712 121.223 -0.013 0.000 2.313 702 L HA 0.362 4.704 4.340 0.003 0.000 0.283 702 L C 0.115 176.993 176.870 0.014 0.000 1.013 702 L CA -0.254 54.590 54.840 0.006 0.000 0.816 702 L CB 2.226 44.289 42.059 0.006 0.000 1.236 702 L HN 0.003 nan 8.230 nan 0.000 0.419 703 T N 3.487 118.055 114.554 0.024 0.000 2.784 703 T HA 0.139 4.491 4.350 0.003 0.000 0.291 703 T C 0.504 175.225 174.700 0.035 0.000 0.942 703 T CA -0.365 61.751 62.100 0.027 0.000 1.161 703 T CB 0.633 69.519 68.868 0.029 0.000 0.885 703 T HN 0.639 nan 8.240 nan 0.000 0.534 704 A N 5.576 128.416 122.820 0.034 0.000 2.489 704 A HA 0.179 4.501 4.320 0.003 0.000 0.289 704 A C 0.724 178.343 177.584 0.058 0.000 1.216 704 A CA -0.277 51.786 52.037 0.042 0.000 0.883 704 A CB -0.261 18.761 19.000 0.037 0.000 1.110 704 A HN 0.796 nan 8.150 nan 0.000 0.523 705 K N 1.810 122.246 120.400 0.060 0.000 2.518 705 K HA -0.021 4.301 4.320 0.003 0.000 0.276 705 K C 0.178 176.841 176.600 0.104 0.000 0.974 705 K CA 0.013 56.346 56.287 0.077 0.000 0.986 705 K CB 0.266 32.803 32.500 0.061 0.000 0.901 705 K HN 0.812 nan 8.250 nan 0.000 0.497 706 H N 0.443 119.522 119.070 0.016 0.000 3.001 706 H HA 0.059 4.617 4.556 0.003 0.000 0.334 706 H C 1.116 176.454 175.328 0.016 0.000 1.034 706 H CA 1.553 57.609 56.048 0.012 0.000 1.420 706 H CB 0.249 30.016 29.762 0.009 0.000 1.405 706 H HN 0.795 nan 8.280 nan 0.000 0.593 707 G N 4.037 112.555 108.800 -0.470 0.000 2.176 707 G HA2 -0.239 3.723 3.960 0.003 0.000 0.252 707 G HA3 -0.239 3.723 3.960 0.003 0.000 0.252 707 G C -0.140 174.681 174.900 -0.132 0.000 1.024 707 G CA 0.473 45.364 45.100 -0.350 0.000 0.755 707 G HN 0.644 nan 8.290 nan 0.000 0.507 708 M N -0.035 119.522 119.600 -0.070 0.000 2.365 708 M HA 0.269 4.751 4.480 0.003 0.000 0.287 708 M C 0.171 176.471 176.300 0.001 0.000 1.154 708 M CA -0.678 54.608 55.300 -0.024 0.000 0.941 708 M CB 2.090 34.687 32.600 -0.005 0.000 1.704 708 M HN 0.044 nan 8.290 nan 0.000 0.479 709 T N 2.029 116.588 114.554 0.009 0.000 2.906 709 T HA 0.083 4.435 4.350 0.003 0.000 0.320 709 T C 1.361 176.085 174.700 0.040 0.000 1.088 709 T CA -0.173 61.941 62.100 0.023 0.000 1.120 709 T CB 0.482 69.368 68.868 0.030 0.000 1.000 709 T HN 0.443 nan 8.240 nan 0.000 0.550 710 L N 1.574 122.820 121.223 0.038 0.000 2.187 710 L HA -0.052 4.290 4.340 0.003 0.000 0.213 710 L C 2.589 179.510 176.870 0.085 0.000 1.100 710 L CA 1.651 56.517 54.840 0.044 0.000 0.765 710 L CB -0.656 41.412 42.059 0.014 0.000 0.904 710 L HN 0.483 nan 8.230 nan 0.000 0.437 711 R N -0.177 120.378 120.500 0.091 0.000 2.056 711 R HA -0.081 4.261 4.340 0.003 0.000 0.227 711 R C 2.246 178.642 176.300 0.160 0.000 1.149 711 R CA 1.196 57.391 56.100 0.158 0.000 0.937 711 R CB -0.268 30.110 30.300 0.129 0.000 0.835 711 R HN 0.344 nan 8.270 nan 0.000 0.430 712 E N -0.321 119.931 120.200 0.085 0.000 2.187 712 E HA -0.213 4.139 4.350 0.003 0.000 0.199 712 E C 1.846 178.471 176.600 0.042 0.000 1.004 712 E CA 1.656 58.083 56.400 0.044 0.000 0.813 712 E CB -0.054 29.657 29.700 0.020 0.000 0.736 712 E HN 0.251 nan 8.360 nan 0.000 0.468 713 S N 0.263 116.006 115.700 0.072 0.000 2.436 713 S HA -0.079 4.393 4.470 0.003 0.000 0.228 713 S C 1.456 176.128 174.600 0.121 0.000 1.014 713 S CA 0.377 58.618 58.200 0.070 0.000 0.950 713 S CB -0.167 63.075 63.200 0.070 0.000 0.784 713 S HN 0.289 nan 8.310 nan 0.000 0.504 714 F N 3.143 123.095 119.950 0.003 0.000 2.084 714 F HA -0.034 4.495 4.527 0.003 0.000 0.296 714 F C 2.166 177.975 175.800 0.015 0.000 1.111 714 F CA 1.344 59.352 58.000 0.014 0.000 1.224 714 F CB -0.660 38.352 39.000 0.021 0.000 0.991 714 F HN 0.058 nan 8.300 nan 0.000 0.471 715 E N 0.266 120.298 120.200 -0.280 0.000 2.031 715 E HA -0.271 4.081 4.350 0.003 0.000 0.193 715 E C 2.088 178.533 176.600 -0.258 0.000 0.994 715 E CA 1.438 57.595 56.400 -0.405 0.000 0.800 715 E CB -0.985 28.586 29.700 -0.215 0.000 0.752 715 E HN 0.495 nan 8.360 nan 0.000 0.447 716 D N 0.840 121.153 120.400 -0.145 0.000 2.218 716 D HA -0.211 4.431 4.640 0.003 0.000 0.194 716 D C 1.451 177.637 176.300 -0.190 0.000 1.007 716 D CA 1.133 55.057 54.000 -0.127 0.000 0.879 716 D CB 0.024 40.780 40.800 -0.074 0.000 0.918 716 D HN 0.113 nan 8.370 nan 0.000 0.449 717 N N -0.156 118.408 118.700 -0.226 0.000 2.197 717 N HA -0.094 4.648 4.740 0.003 0.000 0.184 717 N C 2.238 177.458 175.510 -0.482 0.000 1.030 717 N CA 0.677 53.478 53.050 -0.416 0.000 0.851 717 N CB -0.582 37.704 38.487 -0.335 0.000 1.003 717 N HN 0.115 nan 8.380 nan 0.000 0.430 718 V N 1.805 121.555 119.914 -0.272 0.000 2.233 718 V HA -0.259 3.863 4.120 0.003 0.000 0.252 718 V C 2.580 178.614 176.094 -0.100 0.000 1.063 718 V CA 1.678 63.898 62.300 -0.134 0.000 1.032 718 V CB -0.876 30.744 31.823 -0.338 0.000 0.645 718 V HN 0.050 nan 8.190 nan 0.000 0.446 719 V N -0.475 119.349 119.914 -0.150 0.000 2.255 719 V HA -0.315 3.807 4.120 0.003 0.000 0.247 719 V C 2.587 178.646 176.094 -0.058 0.000 1.051 719 V CA 2.496 64.748 62.300 -0.081 0.000 1.018 719 V CB -0.799 30.972 31.823 -0.086 0.000 0.641 719 V HN 0.455 nan 8.190 nan 0.000 0.445 720 R N -1.284 119.130 120.500 -0.144 0.000 2.159 720 R HA -0.162 4.180 4.340 0.003 0.000 0.237 720 R C 2.209 178.473 176.300 -0.060 0.000 1.131 720 R CA 1.691 57.705 56.100 -0.143 0.000 0.982 720 R CB -0.242 29.901 30.300 -0.260 0.000 0.868 720 R HN 0.558 nan 8.270 nan 0.000 0.453 721 F N -0.070 119.866 119.950 -0.024 0.000 2.094 721 F HA -0.145 4.383 4.527 0.003 0.000 0.291 721 F C 2.224 178.004 175.800 -0.034 0.000 1.109 721 F CA 0.370 58.354 58.000 -0.026 0.000 1.221 721 F CB -0.264 38.710 39.000 -0.042 0.000 1.014 721 F HN -0.068 nan 8.300 nan 0.000 0.473 722 L N 0.330 121.634 121.223 0.135 0.000 1.997 722 L HA -0.334 4.008 4.340 0.003 0.000 0.216 722 L C 2.132 179.095 176.870 0.155 0.000 1.074 722 L CA 1.459 56.303 54.840 0.007 0.000 0.763 722 L CB -0.882 41.108 42.059 -0.115 0.000 0.890 722 L HN 0.157 nan 8.230 nan 0.000 0.434 723 N N -0.286 118.502 118.700 0.148 0.000 2.084 723 N HA -0.216 4.526 4.740 0.003 0.000 0.190 723 N C 1.819 177.406 175.510 0.129 0.000 1.030 723 N CA 1.249 54.382 53.050 0.139 0.000 0.849 723 N CB -0.282 38.258 38.487 0.088 0.000 1.012 723 N HN 0.364 nan 8.380 nan 0.000 0.423 724 E N 0.215 120.490 120.200 0.125 0.000 2.187 724 E HA -0.183 4.169 4.350 0.003 0.000 0.199 724 E C 1.661 178.340 176.600 0.132 0.000 1.004 724 E CA 1.178 57.656 56.400 0.130 0.000 0.813 724 E CB 0.015 29.814 29.700 0.165 0.000 0.736 724 E HN 0.400 nan 8.360 nan 0.000 0.468 725 A N 0.874 123.776 122.820 0.137 0.000 1.835 725 A HA -0.133 4.188 4.320 0.003 0.000 0.213 725 A C 2.057 179.727 177.584 0.143 0.000 1.210 725 A CA 1.250 53.362 52.037 0.126 0.000 0.605 725 A CB -0.543 18.521 19.000 0.108 0.000 0.860 725 A HN 0.143 nan 8.150 nan 0.000 0.447 726 R N -0.072 120.536 120.500 0.180 0.000 2.140 726 R HA -0.281 4.061 4.340 0.003 0.000 0.250 726 R C 1.535 177.886 176.300 0.085 0.000 1.150 726 R CA 2.497 58.680 56.100 0.139 0.000 0.966 726 R CB -0.562 29.817 30.300 0.131 0.000 0.869 726 R HN 0.604 nan 8.270 nan 0.000 0.445 727 D N -0.480 119.986 120.400 0.110 0.000 2.085 727 D HA -0.165 4.477 4.640 0.003 0.000 0.199 727 D C 1.821 178.261 176.300 0.233 0.000 0.981 727 D CA 1.841 55.936 54.000 0.157 0.000 0.834 727 D CB -0.057 40.855 40.800 0.187 0.000 0.992 727 D HN 0.386 nan 8.370 nan 0.000 0.457 728 K N 0.793 121.297 120.400 0.175 0.000 2.362 728 K HA 0.050 4.372 4.320 0.003 0.000 0.200 728 K C 1.875 178.559 176.600 0.141 0.000 1.046 728 K CA 1.105 57.484 56.287 0.153 0.000 0.952 728 K CB 0.005 32.570 32.500 0.109 0.000 0.753 728 K HN 0.070 nan 8.250 nan 0.000 0.466 729 A N 1.609 124.507 122.820 0.129 0.000 1.930 729 A HA 0.003 4.325 4.320 0.003 0.000 0.217 729 A C 2.425 180.083 177.584 0.123 0.000 1.175 729 A CA 1.561 53.662 52.037 0.106 0.000 0.627 729 A CB -1.132 17.924 19.000 0.092 0.000 0.815 729 A HN 0.543 nan 8.150 nan 0.000 0.443 730 G N -0.602 108.297 108.800 0.164 0.000 2.414 730 G HA2 -0.193 3.769 3.960 0.003 0.000 0.215 730 G HA3 -0.193 3.769 3.960 0.003 0.000 0.215 730 G C 1.599 176.710 174.900 0.352 0.000 1.188 730 G CA 0.662 45.906 45.100 0.239 0.000 0.783 730 G HN 0.520 nan 8.290 nan 0.000 0.537 731 R N -0.151 120.574 120.500 0.375 0.000 2.350 731 R HA -0.051 4.291 4.340 0.003 0.000 0.246 731 R C 2.305 178.662 176.300 0.095 0.000 1.182 731 R CA 0.635 56.823 56.100 0.147 0.000 1.030 731 R CB -0.307 30.036 30.300 0.073 0.000 0.861 731 R HN 0.385 nan 8.270 nan 0.000 0.483 732 L N -1.258 120.035 121.223 0.117 0.000 2.130 732 L HA 0.029 4.371 4.340 0.003 0.000 0.200 732 L C 2.561 179.479 176.870 0.080 0.000 1.075 732 L CA 0.856 55.744 54.840 0.080 0.000 0.768 732 L CB -0.533 41.570 42.059 0.073 0.000 0.933 732 L HN 0.149 nan 8.230 nan 0.000 0.451 733 A N 0.026 122.907 122.820 0.101 0.000 1.969 733 A HA -0.243 4.079 4.320 0.003 0.000 0.218 733 A C 2.188 179.833 177.584 0.102 0.000 1.169 733 A CA 1.703 53.795 52.037 0.092 0.000 0.635 733 A CB -0.531 18.525 19.000 0.094 0.000 0.810 733 A HN 0.496 nan 8.150 nan 0.000 0.445 734 E N -0.204 120.080 120.200 0.140 0.000 2.204 734 E HA -0.125 4.227 4.350 0.003 0.000 0.195 734 E C 1.324 177.954 176.600 0.050 0.000 0.990 734 E CA 1.506 57.976 56.400 0.117 0.000 0.821 734 E CB -0.014 29.746 29.700 0.100 0.000 0.750 734 E HN 0.377 nan 8.360 nan 0.000 0.477 735 V N 1.031 120.968 119.914 0.039 0.000 3.263 735 V HA -0.040 4.082 4.120 0.003 0.000 0.248 735 V C 1.997 178.109 176.094 0.030 0.000 1.145 735 V CA 0.885 63.198 62.300 0.022 0.000 1.107 735 V CB -0.112 31.718 31.823 0.011 0.000 0.797 735 V HN 0.336 nan 8.190 nan 0.000 0.467 736 N N 0.630 119.354 118.700 0.039 0.000 2.461 736 N HA 0.049 4.791 4.740 0.003 0.000 0.188 736 N C 0.301 175.834 175.510 0.039 0.000 1.134 736 N CA 0.180 53.252 53.050 0.037 0.000 0.878 736 N CB 0.183 38.693 38.487 0.038 0.000 0.972 736 N HN 0.383 nan 8.380 nan 0.000 0.456 737 L N 2.474 123.724 121.223 0.045 0.000 2.264 737 L HA 0.253 4.595 4.340 0.003 0.000 0.289 737 L C 0.248 177.144 176.870 0.044 0.000 1.044 737 L CA -0.591 54.278 54.840 0.047 0.000 0.807 737 L CB 1.282 43.376 42.059 0.059 0.000 1.192 737 L HN -0.076 nan 8.230 nan 0.000 0.425 738 K N 1.919 122.343 120.400 0.041 0.000 2.336 738 K HA 0.014 4.336 4.320 0.003 0.000 0.262 738 K C 0.104 176.732 176.600 0.047 0.000 0.992 738 K CA -0.429 55.882 56.287 0.040 0.000 0.927 738 K CB 0.609 33.132 32.500 0.037 0.000 0.956 738 K HN 0.419 nan 8.250 nan 0.000 0.495 739 D N 0.988 121.414 120.400 0.044 0.000 2.407 739 D HA -0.062 4.580 4.640 0.003 0.000 0.234 739 D C 0.839 177.176 176.300 0.062 0.000 1.029 739 D CA 0.675 54.704 54.000 0.048 0.000 0.937 739 D CB -0.163 40.661 40.800 0.040 0.000 0.882 739 D HN 0.402 nan 8.370 nan 0.000 0.531 740 L N -2.880 118.382 121.223 0.065 0.000 2.672 740 L HA 0.302 4.644 4.340 0.003 0.000 0.236 740 L C 0.477 177.400 176.870 0.088 0.000 1.092 740 L CA -0.421 54.465 54.840 0.077 0.000 0.887 740 L CB -0.686 41.409 42.059 0.060 0.000 1.168 740 L HN -0.279 nan 8.230 nan 0.000 0.502 741 N N 1.531 120.277 118.700 0.076 0.000 2.454 741 N HA -0.016 4.726 4.740 0.003 0.000 0.260 741 N C 0.939 176.517 175.510 0.114 0.000 1.218 741 N CA 0.201 53.296 53.050 0.075 0.000 0.904 741 N CB 0.442 38.968 38.487 0.065 0.000 1.065 741 N HN 0.197 nan 8.380 nan 0.000 0.462 742 N N 2.910 121.676 118.700 0.111 0.000 2.028 742 N HA -0.170 4.572 4.740 0.003 0.000 0.194 742 N C 1.496 177.129 175.510 0.205 0.000 1.050 742 N CA 1.313 54.480 53.050 0.195 0.000 0.848 742 N CB -0.711 37.757 38.487 -0.031 0.000 1.038 742 N HN 0.329 nan 8.380 nan 0.000 0.423 743 V N 2.050 122.034 119.914 0.116 0.000 2.311 743 V HA -0.305 3.817 4.120 0.003 0.000 0.256 743 V C 2.543 178.707 176.094 0.116 0.000 1.077 743 V CA 1.926 64.291 62.300 0.109 0.000 1.067 743 V CB -0.615 31.252 31.823 0.074 0.000 0.659 743 V HN 0.413 nan 8.190 nan 0.000 0.451 744 K N -0.524 119.939 120.400 0.106 0.000 1.985 744 K HA -0.230 4.092 4.320 0.003 0.000 0.210 744 K C 2.329 178.983 176.600 0.091 0.000 1.047 744 K CA 1.807 58.149 56.287 0.092 0.000 0.932 744 K CB -0.233 32.313 32.500 0.077 0.000 0.716 744 K HN 0.533 nan 8.250 nan 0.000 0.439 745 Q N 0.094 119.959 119.800 0.109 0.000 2.082 745 Q HA -0.263 4.079 4.340 0.003 0.000 0.211 745 Q C 2.221 178.257 176.000 0.060 0.000 1.002 745 Q CA 2.547 58.401 55.803 0.084 0.000 0.868 745 Q CB -0.225 28.586 28.738 0.122 0.000 0.931 745 Q HN 0.437 nan 8.270 nan 0.000 0.414 746 M N -0.241 119.431 119.600 0.119 0.000 2.149 746 M HA -0.178 4.304 4.480 0.003 0.000 0.261 746 M C 2.216 178.554 176.300 0.064 0.000 1.064 746 M CA 1.121 56.478 55.300 0.095 0.000 1.102 746 M CB -0.245 32.453 32.600 0.163 0.000 1.369 746 M HN 0.114 nan 8.290 nan 0.000 0.408 747 V N 0.146 120.103 119.914 0.073 0.000 2.427 747 V HA -0.251 3.871 4.120 0.003 0.000 0.248 747 V C 2.304 178.422 176.094 0.041 0.000 1.051 747 V CA 1.531 63.869 62.300 0.063 0.000 1.048 747 V CB -0.550 31.320 31.823 0.078 0.000 0.666 747 V HN 0.493 nan 8.190 nan 0.000 0.456 748 M N 0.012 119.632 119.600 0.032 0.000 2.077 748 M HA -0.098 4.384 4.480 0.003 0.000 0.261 748 M C 2.479 178.779 176.300 0.000 0.000 1.070 748 M CA 2.103 57.411 55.300 0.014 0.000 1.125 748 M CB -0.616 31.991 32.600 0.011 0.000 1.339 748 M HN 0.368 nan 8.290 nan 0.000 0.409 749 A N -0.024 122.789 122.820 -0.011 0.000 1.986 749 A HA -0.010 4.312 4.320 0.003 0.000 0.220 749 A C 1.810 179.387 177.584 -0.012 0.000 1.171 749 A CA 1.765 53.786 52.037 -0.027 0.000 0.640 749 A CB -1.215 17.755 19.000 -0.051 0.000 0.811 749 A HN 0.764 nan 8.150 nan 0.000 0.451 750 G N -1.477 107.326 108.800 0.005 0.000 2.132 750 G HA2 -0.235 3.727 3.960 0.003 0.000 0.228 750 G HA3 -0.235 3.727 3.960 0.003 0.000 0.228 750 G C 0.960 175.869 174.900 0.015 0.000 1.000 750 G CA 1.168 46.276 45.100 0.014 0.000 0.693 750 G HN 1.542 nan 8.290 nan 0.000 0.515 751 S N -1.646 114.063 115.700 0.015 0.000 2.461 751 S HA 0.442 4.914 4.470 0.003 0.000 0.228 751 S C 0.900 175.521 174.600 0.034 0.000 1.005 751 S CA 1.435 59.647 58.200 0.020 0.000 0.942 751 S CB 0.609 63.818 63.200 0.014 0.000 0.776 751 S HN 0.459 nan 8.310 nan 0.000 0.514 752 K N -0.363 120.062 120.400 0.041 0.000 2.660 752 K HA 0.489 4.811 4.320 0.003 0.000 0.285 752 K C -0.129 176.500 176.600 0.050 0.000 0.997 752 K CA 0.328 56.641 56.287 0.044 0.000 0.861 752 K CB 1.020 33.551 32.500 0.052 0.000 1.469 752 K HN 0.536 nan 8.250 nan 0.000 0.395 753 G N 1.119 109.944 108.800 0.042 0.000 2.954 753 G HA2 -0.153 3.808 3.960 0.003 0.000 0.672 753 G HA3 -0.153 3.808 3.960 0.003 0.000 0.672 753 G C -0.327 174.610 174.900 0.062 0.000 1.598 753 G CA 0.228 45.356 45.100 0.047 0.000 1.063 753 G HN 1.137 nan 8.290 nan 0.000 0.584 754 S N 0.430 116.174 115.700 0.073 0.000 2.851 754 S HA 0.753 5.225 4.470 0.003 0.000 0.313 754 S C 0.891 175.594 174.600 0.171 0.000 1.163 754 S CA 0.280 58.547 58.200 0.111 0.000 0.850 754 S CB 1.406 64.666 63.200 0.100 0.000 1.245 754 S HN 1.765 nan 8.310 nan 0.000 0.558 755 F N 1.660 121.627 119.950 0.029 0.000 2.021 755 F HA -0.152 4.377 4.527 0.003 0.000 0.297 755 F C 2.073 177.896 175.800 0.037 0.000 1.152 755 F CA 1.630 59.649 58.000 0.032 0.000 1.201 755 F CB -0.899 38.118 39.000 0.029 0.000 0.951 755 F HN 0.495 nan 8.300 nan 0.000 0.504 756 I N 1.241 121.628 120.570 -0.306 0.000 2.178 756 I HA -0.487 3.684 4.170 0.003 0.000 0.243 756 I C 2.251 178.241 176.117 -0.211 0.000 1.019 756 I CA 2.153 63.210 61.300 -0.406 0.000 1.294 756 I CB -1.567 36.331 38.000 -0.170 0.000 0.996 756 I HN 0.381 nan 8.210 nan 0.000 0.415 757 N N 0.739 119.401 118.700 -0.064 0.000 2.061 757 N HA -0.204 4.538 4.740 0.003 0.000 0.193 757 N C 1.962 177.479 175.510 0.012 0.000 1.030 757 N CA 1.610 54.657 53.050 -0.005 0.000 0.856 757 N CB -0.405 38.095 38.487 0.021 0.000 1.023 757 N HN 0.432 nan 8.380 nan 0.000 0.424 758 I N 1.442 122.034 120.570 0.036 0.000 2.127 758 I HA -0.302 3.869 4.170 0.003 0.000 0.241 758 I C 2.475 178.612 176.117 0.033 0.000 1.075 758 I CA 1.232 62.576 61.300 0.074 0.000 1.334 758 I CB -0.479 37.624 38.000 0.171 0.000 1.040 758 I HN 0.086 nan 8.210 nan 0.000 0.405 759 A N 0.433 123.213 122.820 -0.067 0.000 1.842 759 A HA -0.319 4.003 4.320 0.003 0.000 0.217 759 A C 2.207 179.755 177.584 -0.060 0.000 1.206 759 A CA 2.032 54.004 52.037 -0.108 0.000 0.630 759 A CB -1.075 17.720 19.000 -0.341 0.000 0.839 759 A HN 0.499 nan 8.150 nan 0.000 0.447 760 Q N -1.273 118.490 119.800 -0.062 0.000 2.268 760 Q HA -0.222 4.120 4.340 0.003 0.000 0.210 760 Q C 2.159 178.246 176.000 0.145 0.000 0.988 760 Q CA 1.866 57.675 55.803 0.011 0.000 0.883 760 Q CB -0.314 28.510 28.738 0.143 0.000 0.911 760 Q HN 0.758 nan 8.270 nan 0.000 0.430 761 M N -1.249 118.447 119.600 0.160 0.000 2.299 761 M HA -0.040 4.441 4.480 0.003 0.000 0.264 761 M C 2.046 178.401 176.300 0.092 0.000 1.095 761 M CA 0.994 56.407 55.300 0.188 0.000 1.165 761 M CB 0.331 33.004 32.600 0.121 0.000 1.349 761 M HN 0.004 nan 8.290 nan 0.000 0.446 762 S N 0.226 115.961 115.700 0.058 0.000 2.441 762 S HA 0.225 4.697 4.470 0.003 0.000 0.224 762 S C 1.683 176.299 174.600 0.026 0.000 1.043 762 S CA 0.659 58.885 58.200 0.043 0.000 0.948 762 S CB 0.087 63.319 63.200 0.053 0.000 0.810 762 S HN 0.437 nan 8.310 nan 0.000 0.504 763 A N 0.136 122.966 122.820 0.015 0.000 2.453 763 A HA 0.520 4.842 4.320 0.003 0.000 0.225 763 A C 0.731 178.298 177.584 -0.029 0.000 2.127 763 A CA 0.326 52.369 52.037 0.009 0.000 0.864 763 A CB -0.532 18.487 19.000 0.032 0.000 1.440 763 A HN 0.513 nan 8.150 nan 0.000 0.566 764 C N -0.798 118.469 119.300 -0.056 0.000 2.535 764 C HA 0.589 5.051 4.460 0.003 0.000 0.319 764 C C 1.659 176.528 174.990 -0.202 0.000 1.171 764 C CA -0.409 58.539 59.018 -0.117 0.000 1.394 764 C CB 0.505 28.215 27.740 -0.050 0.000 1.990 764 C HN 0.550 nan 8.230 nan 0.000 0.466 765 V N 5.175 124.886 119.914 -0.337 0.000 2.220 765 V HA 0.279 4.401 4.120 0.003 0.000 0.242 765 V C 1.622 177.505 176.094 -0.351 0.000 1.041 765 V CA 2.537 64.573 62.300 -0.439 0.000 0.990 765 V CB -1.055 30.364 31.823 -0.673 0.000 0.634 765 V HN 1.460 nan 8.190 nan 0.000 0.452 766 G N -1.269 107.248 108.800 -0.472 0.000 2.359 766 G HA2 0.332 4.294 3.960 0.003 0.000 0.293 766 G HA3 0.332 4.294 3.960 0.003 0.000 0.293 766 G C -1.532 173.119 174.900 -0.416 0.000 1.300 766 G CA -0.124 44.760 45.100 -0.360 0.000 0.888 766 G HN 0.436 nan 8.290 nan 0.000 0.541 767 Q N 0.302 120.055 119.800 -0.078 0.000 2.360 767 Q HA 0.627 4.969 4.340 0.003 0.000 0.254 767 Q C 0.094 176.137 176.000 0.072 0.000 0.975 767 Q CA -0.303 55.569 55.803 0.115 0.000 0.912 767 Q CB 1.087 30.025 28.738 0.333 0.000 1.212 767 Q HN 0.468 nan 8.270 nan 0.000 0.452 768 Q N 1.628 121.480 119.800 0.086 0.000 2.392 768 Q HA 0.420 4.762 4.340 0.003 0.000 0.262 768 Q C -0.820 175.204 176.000 0.040 0.000 1.003 768 Q CA 0.390 56.250 55.803 0.094 0.000 0.888 768 Q CB 1.066 29.902 28.738 0.164 0.000 1.260 768 Q HN 0.811 nan 8.270 nan 0.000 0.435 769 S N -0.364 115.344 115.700 0.013 0.000 2.588 769 S HA 0.855 5.327 4.470 0.003 0.000 0.275 769 S C -1.248 173.329 174.600 -0.037 0.000 1.130 769 S CA -0.932 57.255 58.200 -0.022 0.000 0.855 769 S CB 1.441 64.630 63.200 -0.019 0.000 1.116 769 S HN 0.225 nan 8.310 nan 0.000 0.472 770 V N 1.581 121.464 119.914 -0.053 0.000 2.532 770 V HA 0.527 4.649 4.120 0.003 0.000 0.294 770 V C -0.224 175.838 176.094 -0.053 0.000 1.036 770 V CA -0.639 61.628 62.300 -0.054 0.000 0.876 770 V CB 0.459 32.245 31.823 -0.062 0.000 1.012 770 V HN 1.146 nan 8.190 nan 0.000 0.432 771 E N 3.303 123.477 120.200 -0.043 0.000 2.868 771 E HA -0.286 4.066 4.350 0.003 0.000 0.278 771 E C 1.302 177.878 176.600 -0.040 0.000 1.009 771 E CA 0.818 57.195 56.400 -0.038 0.000 0.856 771 E CB -1.312 28.365 29.700 -0.039 0.000 1.428 771 E HN 1.563 nan 8.360 nan 0.000 0.423 772 G N 0.108 108.884 108.800 -0.041 0.000 2.579 772 G HA2 -0.390 3.572 3.960 0.003 0.000 0.222 772 G HA3 -0.390 3.572 3.960 0.003 0.000 0.222 772 G C 0.218 175.083 174.900 -0.058 0.000 1.201 772 G CA 0.401 45.475 45.100 -0.042 0.000 0.710 772 G HN 0.215 nan 8.290 nan 0.000 0.516 773 K N 2.994 123.351 120.400 -0.071 0.000 2.383 773 K HA 0.404 4.726 4.320 0.003 0.000 0.286 773 K C 1.008 177.539 176.600 -0.116 0.000 1.051 773 K CA -0.379 55.848 56.287 -0.100 0.000 0.974 773 K CB 0.526 32.962 32.500 -0.106 0.000 0.968 773 K HN 0.666 nan 8.250 nan 0.000 0.475 774 R N 2.646 123.068 120.500 -0.131 0.000 2.697 774 R HA 0.004 4.346 4.340 0.003 0.000 0.265 774 R C 0.232 176.417 176.300 -0.190 0.000 1.009 774 R CA -0.663 55.356 56.100 -0.135 0.000 1.099 774 R CB -0.116 30.107 30.300 -0.128 0.000 0.965 774 R HN 0.441 nan 8.270 nan 0.000 0.428 775 I N 1.113 121.564 120.570 -0.198 0.000 3.442 775 I HA -0.284 3.888 4.170 0.003 0.000 0.358 775 I C 1.021 176.992 176.117 -0.243 0.000 1.163 775 I CA 0.922 62.073 61.300 -0.248 0.000 1.629 775 I CB -1.385 36.317 38.000 -0.498 0.000 1.237 775 I HN 0.864 nan 8.210 nan 0.000 0.453 776 A N 8.068 130.790 122.820 -0.163 0.000 2.274 776 A HA 0.596 4.918 4.320 0.003 0.000 0.297 776 A C 0.029 177.653 177.584 0.066 0.000 1.191 776 A CA -0.575 51.364 52.037 -0.163 0.000 0.889 776 A CB 0.464 19.392 19.000 -0.120 0.000 1.294 776 A HN 0.572 nan 8.150 nan 0.000 0.506 777 F N 1.020 120.940 119.950 -0.050 0.000 2.605 777 F HA 0.222 4.751 4.527 0.003 0.000 0.352 777 F C 1.689 177.511 175.800 0.037 0.000 1.236 777 F CA -0.279 57.728 58.000 0.011 0.000 1.267 777 F CB 0.301 39.315 39.000 0.023 0.000 1.632 777 F HN 0.793 nan 8.300 nan 0.000 0.639 778 G N 2.375 111.285 108.800 0.182 0.000 2.394 778 G HA2 -0.135 3.827 3.960 0.003 0.000 0.215 778 G HA3 -0.135 3.827 3.960 0.003 0.000 0.215 778 G C 0.475 175.464 174.900 0.149 0.000 1.165 778 G CA -0.104 45.041 45.100 0.075 0.000 0.784 778 G HN 0.383 nan 8.290 nan 0.000 0.535 779 F N 1.525 121.514 119.950 0.065 0.000 2.444 779 F HA 0.271 4.800 4.527 0.003 0.000 0.360 779 F C 0.615 176.403 175.800 -0.020 0.000 1.106 779 F CA -1.156 56.853 58.000 0.015 0.000 1.170 779 F CB 1.391 40.386 39.000 -0.008 0.000 1.113 779 F HN -0.269 nan 8.300 nan 0.000 0.521 780 V N 6.042 126.065 119.914 0.183 0.000 2.899 780 V HA -0.269 3.852 4.120 0.003 0.000 0.293 780 V C 0.377 176.430 176.094 -0.068 0.000 1.114 780 V CA 0.818 63.157 62.300 0.064 0.000 1.270 780 V CB -0.878 30.968 31.823 0.038 0.000 0.814 780 V HN 0.837 nan 8.190 nan 0.000 0.457 781 D N 3.842 124.156 120.400 -0.142 0.000 2.697 781 D HA -0.194 4.448 4.640 0.003 0.000 0.235 781 D C 0.420 176.056 176.300 -1.106 0.000 1.167 781 D CA 1.586 55.263 54.000 -0.539 0.000 0.656 781 D CB -0.324 40.378 40.800 -0.163 0.000 1.025 781 D HN 1.017 nan 8.370 nan 0.000 0.419 782 R N -4.083 115.581 120.500 -1.394 0.000 3.176 782 R HA 0.235 4.577 4.340 0.003 0.000 0.284 782 R C 0.250 176.557 176.300 0.013 0.000 0.985 782 R CA -0.782 54.876 56.100 -0.737 0.000 0.853 782 R CB -0.015 30.182 30.300 -0.172 0.000 1.309 782 R HN -0.199 nan 8.270 nan 0.000 0.528 783 T N 0.713 115.475 114.554 0.347 0.000 2.643 783 T HA 0.169 4.521 4.350 0.003 0.000 0.256 783 T C 0.857 175.754 174.700 0.329 0.000 1.061 783 T CA 0.872 63.204 62.100 0.387 0.000 1.163 783 T CB -0.128 69.008 68.868 0.447 0.000 0.865 783 T HN 0.277 nan 8.240 nan 0.000 0.407 784 L N 0.879 122.287 121.223 0.307 0.000 2.298 784 L HA 0.361 4.703 4.340 0.003 0.000 0.268 784 L C -1.625 175.364 176.870 0.197 0.000 1.010 784 L CA -2.351 52.571 54.840 0.137 0.000 0.812 784 L CB 1.534 43.346 42.059 -0.411 0.000 1.331 784 L HN -0.037 nan 8.230 nan 0.000 0.450 785 P HA -0.040 nan 4.420 nan 0.000 0.249 785 P C 0.547 177.892 177.300 0.076 0.000 1.229 785 P CA 0.950 63.995 63.100 -0.091 0.000 0.788 785 P CB -0.036 31.520 31.700 -0.239 0.000 1.072 786 H N -1.210 117.712 119.070 -0.245 0.000 2.555 786 H HA 0.257 4.815 4.556 0.003 0.000 0.283 786 H C 0.071 175.247 175.328 -0.254 0.000 1.037 786 H CA -0.270 55.591 56.048 -0.313 0.000 1.169 786 H CB -0.293 29.186 29.762 -0.473 0.000 1.375 786 H HN 0.183 nan 8.280 nan 0.000 0.582 787 F N -0.021 120.016 119.950 0.144 0.000 2.588 787 F HA 0.264 4.792 4.527 0.003 0.000 0.310 787 F C 0.081 175.899 175.800 0.030 0.000 1.082 787 F CA -1.381 56.676 58.000 0.095 0.000 0.929 787 F CB 2.011 41.080 39.000 0.115 0.000 1.254 787 F HN -0.145 nan 8.300 nan 0.000 0.455 788 S N 2.346 118.191 115.700 0.241 0.000 2.505 788 S HA 0.166 4.638 4.470 0.003 0.000 0.276 788 S C -0.149 174.489 174.600 0.063 0.000 1.274 788 S CA -0.812 57.451 58.200 0.106 0.000 1.053 788 S CB 0.524 63.774 63.200 0.082 0.000 0.919 788 S HN 0.415 nan 8.310 nan 0.000 0.490 789 K N 1.980 122.385 120.400 0.007 0.000 2.584 789 K HA -0.129 4.193 4.320 0.003 0.000 0.277 789 K C -0.069 176.522 176.600 -0.015 0.000 0.960 789 K CA 0.695 56.949 56.287 -0.055 0.000 0.975 789 K CB -0.085 32.383 32.500 -0.054 0.000 0.885 789 K HN 0.641 nan 8.250 nan 0.000 0.515 790 D N 0.548 120.922 120.400 -0.043 0.000 2.701 790 D HA -0.176 4.466 4.640 0.003 0.000 0.235 790 D C -0.719 175.753 176.300 0.287 0.000 1.155 790 D CA 0.976 55.087 54.000 0.185 0.000 0.649 790 D CB -0.643 40.256 40.800 0.165 0.000 1.050 790 D HN 0.428 nan 8.370 nan 0.000 0.425 791 D N -0.178 120.355 120.400 0.223 0.000 2.467 791 D HA 0.090 4.732 4.640 0.003 0.000 0.220 791 D C 0.207 176.691 176.300 0.307 0.000 1.103 791 D CA -0.464 53.651 54.000 0.192 0.000 0.886 791 D CB 0.225 41.020 40.800 -0.009 0.000 1.025 791 D HN 0.164 nan 8.370 nan 0.000 0.514 792 Y N 1.537 121.950 120.300 0.188 0.000 2.519 792 Y HA -0.048 4.504 4.550 0.003 0.000 0.287 792 Y C 1.707 177.680 175.900 0.122 0.000 1.128 792 Y CA 0.095 58.319 58.100 0.208 0.000 1.282 792 Y CB -0.241 38.399 38.460 0.300 0.000 1.027 792 Y HN 0.316 nan 8.280 nan 0.000 0.551 793 S N 1.961 117.782 115.700 0.201 0.000 2.550 793 S HA -0.076 4.396 4.470 0.003 0.000 0.285 793 S C -1.232 173.391 174.600 0.038 0.000 1.326 793 S CA -0.726 57.533 58.200 0.100 0.000 1.037 793 S CB 0.633 63.857 63.200 0.039 0.000 0.838 793 S HN 0.147 nan 8.310 nan 0.000 0.519 794 P HA -0.136 nan 4.420 nan 0.000 0.216 794 P C 0.591 177.972 177.300 0.134 0.000 1.150 794 P CA 1.421 64.529 63.100 0.013 0.000 0.837 794 P CB -0.184 31.429 31.700 -0.145 0.000 0.786 795 E N -0.371 119.898 120.200 0.115 0.000 2.527 795 E HA -0.034 4.318 4.350 0.003 0.000 0.204 795 E C 1.810 178.538 176.600 0.213 0.000 1.132 795 E CA 0.594 57.115 56.400 0.202 0.000 0.905 795 E CB -0.507 29.269 29.700 0.127 0.000 0.875 795 E HN 0.276 nan 8.360 nan 0.000 0.548 796 S N -0.754 115.020 115.700 0.125 0.000 3.171 796 S HA 0.056 4.528 4.470 0.003 0.000 0.258 796 S C 1.331 175.965 174.600 0.057 0.000 1.083 796 S CA -0.349 57.908 58.200 0.095 0.000 0.801 796 S CB 0.203 63.176 63.200 -0.377 0.000 0.831 796 S HN -0.078 nan 8.310 nan 0.000 0.462 797 K N 1.686 122.059 120.400 -0.044 0.000 2.585 797 K HA 0.138 4.460 4.320 0.003 0.000 0.194 797 K C 0.833 177.280 176.600 -0.255 0.000 1.037 797 K CA 0.850 57.024 56.287 -0.188 0.000 0.964 797 K CB -0.426 31.967 32.500 -0.178 0.000 0.787 797 K HN 0.683 nan 8.250 nan 0.000 0.488 798 G N 1.617 110.342 108.800 -0.124 0.000 2.797 798 G HA2 -0.204 3.758 3.960 0.003 0.000 0.192 798 G HA3 -0.204 3.758 3.960 0.003 0.000 0.192 798 G C -0.911 174.218 174.900 0.382 0.000 1.101 798 G CA -0.651 44.526 45.100 0.127 0.000 0.930 798 G HN 0.204 nan 8.290 nan 0.000 0.512 799 F N 1.603 121.728 119.950 0.291 0.000 2.477 799 F HA 0.658 5.187 4.527 0.003 0.000 0.335 799 F C -0.046 175.837 175.800 0.138 0.000 1.130 799 F CA -1.102 56.992 58.000 0.155 0.000 0.948 799 F CB 1.976 41.034 39.000 0.096 0.000 1.154 799 F HN 0.116 nan 8.300 nan 0.000 0.439 800 V N 7.356 126.940 119.914 -0.550 0.000 2.368 800 V HA 0.130 4.252 4.120 0.003 0.000 0.266 800 V C 0.851 176.517 176.094 -0.713 0.000 1.045 800 V CA -0.035 61.991 62.300 -0.457 0.000 0.899 800 V CB 1.119 32.700 31.823 -0.403 0.000 1.006 800 V HN 0.965 nan 8.190 nan 0.000 0.470 801 E N 4.408 124.423 120.200 -0.309 0.000 2.086 801 E HA -0.038 4.314 4.350 0.003 0.000 0.190 801 E C 1.000 177.526 176.600 -0.123 0.000 0.975 801 E CA 0.236 56.573 56.400 -0.105 0.000 0.813 801 E CB 0.295 30.101 29.700 0.176 0.000 0.768 801 E HN 0.763 nan 8.360 nan 0.000 0.457 802 N N 1.001 119.625 118.700 -0.128 0.000 2.260 802 N HA -0.023 4.719 4.740 0.003 0.000 0.230 802 N C -0.165 175.221 175.510 -0.206 0.000 1.323 802 N CA 0.700 53.677 53.050 -0.122 0.000 0.897 802 N CB 0.826 39.253 38.487 -0.100 0.000 1.146 802 N HN 0.107 nan 8.380 nan 0.000 0.460 803 S N -1.129 114.474 115.700 -0.161 0.000 2.664 803 S HA 0.333 4.805 4.470 0.003 0.000 0.304 803 S C 0.704 175.200 174.600 -0.172 0.000 1.099 803 S CA -0.755 57.332 58.200 -0.187 0.000 1.003 803 S CB 0.557 63.716 63.200 -0.068 0.000 1.092 803 S HN 0.521 nan 8.310 nan 0.000 0.525 804 Y N -0.030 120.238 120.300 -0.052 0.000 2.556 804 Y HA -0.085 4.468 4.550 0.003 0.000 0.290 804 Y C 1.980 177.872 175.900 -0.013 0.000 1.149 804 Y CA 0.649 58.731 58.100 -0.029 0.000 1.329 804 Y CB -0.139 38.308 38.460 -0.022 0.000 0.975 804 Y HN 0.597 nan 8.280 nan 0.000 0.561 805 L N 0.069 121.357 121.223 0.108 0.000 2.102 805 L HA -0.058 4.284 4.340 0.003 0.000 0.202 805 L C 2.209 179.101 176.870 0.036 0.000 1.076 805 L CA 1.524 56.404 54.840 0.066 0.000 0.761 805 L CB -0.409 41.677 42.059 0.046 0.000 0.921 805 L HN -0.049 nan 8.230 nan 0.000 0.444 806 R N -0.007 120.500 120.500 0.012 0.000 2.062 806 R HA 0.223 4.564 4.340 0.003 0.000 0.229 806 R C 0.268 176.566 176.300 -0.003 0.000 1.128 806 R CA 0.825 56.923 56.100 -0.002 0.000 0.960 806 R CB -0.428 29.861 30.300 -0.018 0.000 0.855 806 R HN 0.512 nan 8.270 nan 0.000 0.432 807 G N 0.958 109.751 108.800 -0.012 0.000 3.224 807 G HA2 -0.102 3.860 3.960 0.003 0.000 0.684 807 G HA3 -0.102 3.860 3.960 0.003 0.000 0.684 807 G C -0.595 174.292 174.900 -0.022 0.000 1.180 807 G CA -0.990 44.109 45.100 -0.001 0.000 1.099 807 G HN -0.003 nan 8.290 nan 0.000 0.476 808 L N 0.844 122.050 121.223 -0.029 0.000 2.476 808 L HA 0.306 4.648 4.340 0.003 0.000 0.309 808 L C 1.874 178.747 176.870 0.005 0.000 1.330 808 L CA 1.683 56.513 54.840 -0.018 0.000 0.827 808 L CB 0.012 42.113 42.059 0.070 0.000 1.044 808 L HN 1.168 nan 8.230 nan 0.000 0.599 809 T N -2.720 111.842 114.554 0.013 0.000 2.940 809 T HA 0.521 4.873 4.350 0.003 0.000 0.288 809 T C -1.969 172.751 174.700 0.033 0.000 1.033 809 T CA -1.900 60.205 62.100 0.009 0.000 1.033 809 T CB 1.785 70.660 68.868 0.013 0.000 1.079 809 T HN 0.376 nan 8.240 nan 0.000 0.496 810 P HA -0.247 nan 4.420 nan 0.000 0.218 810 P C 1.477 178.788 177.300 0.018 0.000 1.165 810 P CA 1.695 64.826 63.100 0.053 0.000 0.922 810 P CB 0.004 31.720 31.700 0.028 0.000 0.794 811 Q N -0.456 119.260 119.800 -0.140 0.000 2.002 811 Q HA -0.192 4.150 4.340 0.003 0.000 0.204 811 Q C 2.175 177.731 176.000 -0.740 0.000 0.988 811 Q CA 1.682 57.187 55.803 -0.496 0.000 0.843 811 Q CB -0.911 27.634 28.738 -0.323 0.000 0.908 811 Q HN 0.414 nan 8.270 nan 0.000 0.420 812 E N 0.156 120.156 120.200 -0.334 0.000 2.033 812 E HA -0.248 4.104 4.350 0.003 0.000 0.199 812 E C 1.866 178.442 176.600 -0.039 0.000 1.011 812 E CA 1.295 57.588 56.400 -0.178 0.000 0.815 812 E CB -0.458 29.207 29.700 -0.058 0.000 0.755 812 E HN 0.257 nan 8.360 nan 0.000 0.451 813 F N 1.232 121.133 119.950 -0.081 0.000 2.063 813 F HA -0.318 4.211 4.527 0.003 0.000 0.298 813 F C 2.193 178.052 175.800 0.099 0.000 1.105 813 F CA 1.853 59.873 58.000 0.034 0.000 1.215 813 F CB -0.615 38.408 39.000 0.038 0.000 0.972 813 F HN -0.022 nan 8.300 nan 0.000 0.483 814 F N 0.110 120.001 119.950 -0.099 0.000 2.069 814 F HA -0.224 4.305 4.527 0.003 0.000 0.298 814 F C 2.277 178.089 175.800 0.020 0.000 1.113 814 F CA 1.969 59.893 58.000 -0.127 0.000 1.214 814 F CB -0.852 38.129 39.000 -0.031 0.000 0.978 814 F HN 0.044 nan 8.300 nan 0.000 0.474 815 F N -1.012 119.073 119.950 0.226 0.000 2.043 815 F HA -0.354 4.175 4.527 0.003 0.000 0.297 815 F C 2.635 178.430 175.800 -0.007 0.000 1.121 815 F CA 1.208 59.281 58.000 0.122 0.000 1.199 815 F CB -1.096 37.999 39.000 0.158 0.000 0.968 815 F HN 0.089 nan 8.300 nan 0.000 0.478 816 H N 0.608 119.719 119.070 0.069 0.000 2.394 816 H HA -0.193 4.365 4.556 0.003 0.000 0.297 816 H C 1.885 177.117 175.328 -0.160 0.000 1.113 816 H CA 1.252 57.268 56.048 -0.055 0.000 1.277 816 H CB -0.482 29.231 29.762 -0.081 0.000 1.370 816 H HN 0.242 nan 8.280 nan 0.000 0.506 817 A N 0.501 123.113 122.820 -0.347 0.000 1.823 817 A HA -0.202 4.120 4.320 0.003 0.000 0.214 817 A C 2.538 179.897 177.584 -0.375 0.000 1.227 817 A CA 1.882 53.620 52.037 -0.498 0.000 0.616 817 A CB -1.083 17.505 19.000 -0.687 0.000 0.874 817 A HN 0.500 nan 8.150 nan 0.000 0.455 818 M N -0.508 118.854 119.600 -0.397 0.000 2.191 818 M HA -0.316 4.166 4.480 0.003 0.000 0.246 818 M C 2.051 178.251 176.300 -0.167 0.000 1.085 818 M CA 1.997 57.140 55.300 -0.262 0.000 1.063 818 M CB -0.959 31.550 32.600 -0.152 0.000 1.336 818 M HN 0.611 nan 8.290 nan 0.000 0.398 819 G N -0.900 107.822 108.800 -0.129 0.000 2.404 819 G HA2 -0.006 3.956 3.960 0.003 0.000 0.214 819 G HA3 -0.006 3.956 3.960 0.003 0.000 0.214 819 G C 1.487 176.306 174.900 -0.136 0.000 1.189 819 G CA 0.804 45.849 45.100 -0.092 0.000 0.789 819 G HN 0.581 nan 8.290 nan 0.000 0.533 820 G N 0.928 109.585 108.800 -0.238 0.000 2.418 820 G HA2 -0.239 3.723 3.960 0.003 0.000 0.217 820 G HA3 -0.239 3.723 3.960 0.003 0.000 0.217 820 G C 1.850 176.635 174.900 -0.192 0.000 1.158 820 G CA 1.278 46.223 45.100 -0.258 0.000 0.771 820 G HN 0.513 nan 8.290 nan 0.000 0.545 821 R N 1.121 121.496 120.500 -0.209 0.000 2.139 821 R HA -0.125 4.217 4.340 0.003 0.000 0.243 821 R C 2.167 178.395 176.300 -0.121 0.000 1.145 821 R CA 2.136 58.136 56.100 -0.167 0.000 0.976 821 R CB -0.706 29.479 30.300 -0.190 0.000 0.866 821 R HN 0.532 nan 8.270 nan 0.000 0.449 822 E N -0.792 119.342 120.200 -0.110 0.000 2.077 822 E HA -0.140 4.212 4.350 0.003 0.000 0.193 822 E C 1.761 178.319 176.600 -0.069 0.000 0.989 822 E CA 1.356 57.708 56.400 -0.080 0.000 0.800 822 E CB -0.497 29.162 29.700 -0.068 0.000 0.746 822 E HN 0.540 nan 8.360 nan 0.000 0.452 823 G N 1.782 110.538 108.800 -0.074 0.000 2.587 823 G HA2 -0.297 3.665 3.960 0.003 0.000 0.217 823 G HA3 -0.297 3.665 3.960 0.003 0.000 0.217 823 G C 1.573 176.438 174.900 -0.059 0.000 1.240 823 G CA 1.099 46.163 45.100 -0.061 0.000 0.794 823 G HN 0.284 nan 8.290 nan 0.000 0.580 824 L N 0.178 121.359 121.223 -0.070 0.000 2.230 824 L HA -0.208 4.134 4.340 0.003 0.000 0.217 824 L C 2.709 179.547 176.870 -0.053 0.000 1.090 824 L CA 0.724 55.526 54.840 -0.063 0.000 0.771 824 L CB -0.388 41.626 42.059 -0.074 0.000 0.892 824 L HN 0.312 nan 8.230 nan 0.000 0.438 825 I N -0.206 120.331 120.570 -0.055 0.000 2.330 825 I HA -0.220 3.952 4.170 0.003 0.000 0.229 825 I C 2.247 178.342 176.117 -0.037 0.000 1.063 825 I CA 1.216 62.488 61.300 -0.045 0.000 1.367 825 I CB -0.526 37.445 38.000 -0.048 0.000 1.158 825 I HN 0.296 nan 8.210 nan 0.000 0.411 826 D N 0.211 120.589 120.400 -0.035 0.000 2.172 826 D HA -0.241 4.401 4.640 0.003 0.000 0.196 826 D C 1.860 178.144 176.300 -0.026 0.000 0.999 826 D CA 2.035 56.018 54.000 -0.028 0.000 0.856 826 D CB -1.283 39.502 40.800 -0.026 0.000 0.934 826 D HN 0.197 nan 8.370 nan 0.000 0.453 827 T N -0.271 114.265 114.554 -0.030 0.000 2.685 827 T HA -0.145 4.207 4.350 0.003 0.000 0.268 827 T C 1.676 176.361 174.700 -0.025 0.000 1.034 827 T CA 2.018 64.101 62.100 -0.028 0.000 1.149 827 T CB -0.528 68.320 68.868 -0.033 0.000 0.860 827 T HN 0.475 nan 8.240 nan 0.000 0.449 828 A N -0.034 122.771 122.820 -0.026 0.000 2.359 828 A HA 0.435 4.757 4.320 0.003 0.000 0.240 828 A C 1.621 179.194 177.584 -0.019 0.000 1.306 828 A CA 0.052 52.075 52.037 -0.023 0.000 0.898 828 A CB -0.020 18.964 19.000 -0.026 0.000 0.956 828 A HN 0.369 nan 8.150 nan 0.000 0.497 829 V N -1.718 118.186 119.914 -0.017 0.000 3.141 829 V HA 0.061 4.183 4.120 0.003 0.000 0.225 829 V C 1.666 177.757 176.094 -0.006 0.000 1.352 829 V CA 0.753 63.045 62.300 -0.012 0.000 1.316 829 V CB -0.079 31.735 31.823 -0.014 0.000 1.126 829 V HN 0.285 nan 8.190 nan 0.000 0.493 830 K N 0.485 120.879 120.400 -0.010 0.000 2.616 830 K HA 0.005 4.327 4.320 0.003 0.000 0.192 830 K C 1.686 178.280 176.600 -0.009 0.000 1.031 830 K CA 1.070 57.352 56.287 -0.009 0.000 1.004 830 K CB -0.233 32.258 32.500 -0.015 0.000 0.810 830 K HN 0.399 nan 8.250 nan 0.000 0.497 831 T N -1.561 112.988 114.554 -0.008 0.000 3.038 831 T HA 0.230 4.581 4.350 0.003 0.000 0.244 831 T C 1.546 176.246 174.700 0.001 0.000 1.016 831 T CA 0.575 62.670 62.100 -0.009 0.000 1.098 831 T CB 0.192 69.052 68.868 -0.014 0.000 0.954 831 T HN 0.200 nan 8.240 nan 0.000 0.469 832 A N 0.968 123.790 122.820 0.003 0.000 1.874 832 A HA 0.102 4.424 4.320 0.003 0.000 0.214 832 A C 2.027 179.631 177.584 0.034 0.000 1.189 832 A CA 1.473 53.516 52.037 0.010 0.000 0.615 832 A CB -0.469 18.530 19.000 -0.003 0.000 0.830 832 A HN 0.519 nan 8.150 nan 0.000 0.443 833 E N -1.012 119.209 120.200 0.035 0.000 2.152 833 E HA -0.108 4.244 4.350 0.003 0.000 0.192 833 E C 1.969 178.622 176.600 0.089 0.000 0.983 833 E CA 1.298 57.740 56.400 0.071 0.000 0.818 833 E CB -0.068 29.663 29.700 0.051 0.000 0.758 833 E HN 0.526 nan 8.360 nan 0.000 0.467 834 T N -0.522 114.057 114.554 0.043 0.000 2.684 834 T HA -0.154 4.198 4.350 0.003 0.000 0.267 834 T C 1.692 176.409 174.700 0.028 0.000 1.036 834 T CA 1.313 63.425 62.100 0.020 0.000 1.148 834 T CB -0.642 68.222 68.868 -0.007 0.000 0.863 834 T HN 0.431 nan 8.240 nan 0.000 0.436 835 G N -0.252 108.571 108.800 0.038 0.000 2.505 835 G HA2 -0.298 3.663 3.960 0.003 0.000 0.220 835 G HA3 -0.298 3.663 3.960 0.003 0.000 0.220 835 G C 1.363 176.316 174.900 0.088 0.000 1.145 835 G CA 1.213 46.339 45.100 0.043 0.000 0.761 835 G HN 0.531 nan 8.290 nan 0.000 0.571 836 Y N 1.237 121.530 120.300 -0.011 0.000 2.109 836 Y HA -0.016 4.536 4.550 0.003 0.000 0.285 836 Y C 2.729 178.625 175.900 -0.006 0.000 1.131 836 Y CA 1.068 59.170 58.100 0.004 0.000 1.121 836 Y CB -0.574 37.902 38.460 0.026 0.000 0.987 836 Y HN 0.182 nan 8.280 nan 0.000 0.495 837 I N 0.235 120.775 120.570 -0.049 0.000 2.091 837 I HA -0.456 3.716 4.170 0.003 0.000 0.240 837 I C 2.684 178.700 176.117 -0.169 0.000 1.046 837 I CA 2.014 63.230 61.300 -0.140 0.000 1.306 837 I CB -0.658 37.317 38.000 -0.042 0.000 1.018 837 I HN 0.341 nan 8.210 nan 0.000 0.404 838 Q N 0.836 120.569 119.800 -0.111 0.000 2.133 838 Q HA -0.284 4.058 4.340 0.003 0.000 0.208 838 Q C 2.323 178.228 176.000 -0.157 0.000 0.991 838 Q CA 1.995 57.725 55.803 -0.122 0.000 0.867 838 Q CB -0.273 28.410 28.738 -0.092 0.000 0.911 838 Q HN 0.464 nan 8.270 nan 0.000 0.417 839 R N -0.149 120.254 120.500 -0.163 0.000 2.062 839 R HA -0.118 4.224 4.340 0.003 0.000 0.231 839 R C 2.424 178.535 176.300 -0.314 0.000 1.136 839 R CA 1.314 57.297 56.100 -0.196 0.000 0.948 839 R CB -0.037 30.186 30.300 -0.128 0.000 0.845 839 R HN 0.152 nan 8.270 nan 0.000 0.430 840 R N 0.618 120.863 120.500 -0.425 0.000 2.132 840 R HA -0.190 4.152 4.340 0.003 0.000 0.233 840 R C 2.463 178.556 176.300 -0.346 0.000 1.125 840 R CA 2.223 58.056 56.100 -0.445 0.000 0.914 840 R CB -1.010 29.052 30.300 -0.396 0.000 0.845 840 R HN 0.213 nan 8.270 nan 0.000 0.431 841 L N 0.301 121.359 121.223 -0.276 0.000 2.119 841 L HA -0.380 3.962 4.340 0.003 0.000 0.226 841 L C 2.415 179.118 176.870 -0.279 0.000 1.093 841 L CA 1.736 56.426 54.840 -0.249 0.000 0.806 841 L CB -0.720 41.230 42.059 -0.182 0.000 0.902 841 L HN 0.166 nan 8.230 nan 0.000 0.444 842 V N -0.895 118.869 119.914 -0.251 0.000 2.229 842 V HA -0.257 3.865 4.120 0.003 0.000 0.243 842 V C 2.479 178.418 176.094 -0.258 0.000 1.042 842 V CA 1.644 63.810 62.300 -0.224 0.000 1.000 842 V CB -0.514 31.201 31.823 -0.180 0.000 0.637 842 V HN 0.359 nan 8.190 nan 0.000 0.446 843 K N 0.286 120.512 120.400 -0.290 0.000 2.218 843 K HA -0.153 4.169 4.320 0.003 0.000 0.205 843 K C 2.072 178.478 176.600 -0.323 0.000 1.046 843 K CA 1.578 57.716 56.287 -0.249 0.000 0.933 843 K CB -0.735 31.555 32.500 -0.349 0.000 0.728 843 K HN 0.520 nan 8.250 nan 0.000 0.454 844 A N 0.172 122.588 122.820 -0.672 0.000 2.119 844 A HA -0.002 4.320 4.320 0.003 0.000 0.216 844 A C 1.682 178.921 177.584 -0.575 0.000 1.152 844 A CA 0.782 52.094 52.037 -1.207 0.000 0.708 844 A CB -0.051 18.133 19.000 -1.360 0.000 0.805 844 A HN 0.261 nan 8.150 nan 0.000 0.460 845 L N -1.881 119.136 121.223 -0.344 0.000 3.135 845 L HA 0.196 4.538 4.340 0.003 0.000 0.279 845 L C 1.249 178.032 176.870 -0.146 0.000 1.200 845 L CA -0.135 54.578 54.840 -0.211 0.000 1.016 845 L CB -0.311 41.644 42.059 -0.173 0.000 1.391 845 L HN 0.238 nan 8.230 nan 0.000 0.588 846 E N 2.116 122.231 120.200 -0.141 0.000 2.041 846 E HA -0.332 4.020 4.350 0.003 0.000 0.227 846 E C 1.339 177.889 176.600 -0.083 0.000 1.039 846 E CA 2.283 58.623 56.400 -0.101 0.000 0.904 846 E CB -0.402 29.253 29.700 -0.075 0.000 0.808 846 E HN 0.613 nan 8.360 nan 0.000 0.510 847 D N 1.170 121.535 120.400 -0.058 0.000 2.311 847 D HA -0.211 4.431 4.640 0.003 0.000 0.204 847 D C 0.652 176.929 176.300 -0.037 0.000 1.000 847 D CA 1.075 55.054 54.000 -0.035 0.000 0.910 847 D CB -0.734 40.063 40.800 -0.006 0.000 0.900 847 D HN 0.225 nan 8.370 nan 0.000 0.463 848 I N 0.871 121.407 120.570 -0.057 0.000 2.496 848 I HA 0.209 4.381 4.170 0.003 0.000 0.285 848 I C 0.657 176.711 176.117 -0.104 0.000 1.080 848 I CA -0.238 61.029 61.300 -0.056 0.000 1.404 848 I CB 0.465 38.433 38.000 -0.053 0.000 1.403 848 I HN 0.118 nan 8.210 nan 0.000 0.539 849 M N 4.645 124.163 119.600 -0.136 0.000 2.880 849 M HA 0.553 5.034 4.480 0.003 0.000 0.269 849 M C -1.852 174.292 176.300 -0.260 0.000 1.248 849 M CA -0.929 54.229 55.300 -0.236 0.000 0.821 849 M CB 2.042 34.458 32.600 -0.306 0.000 1.650 849 M HN 0.054 nan 8.290 nan 0.000 0.479 850 V N 2.552 122.293 119.914 -0.289 0.000 2.406 850 V HA 0.354 4.476 4.120 0.003 0.000 0.272 850 V C -0.168 175.755 176.094 -0.285 0.000 1.043 850 V CA -0.226 61.955 62.300 -0.198 0.000 0.915 850 V CB 0.571 32.294 31.823 -0.167 0.000 0.988 850 V HN 0.672 nan 8.190 nan 0.000 0.466 851 H N 3.811 122.845 119.070 -0.059 0.000 2.482 851 H HA 0.202 4.760 4.556 0.003 0.000 0.344 851 H C 0.659 175.982 175.328 -0.009 0.000 1.151 851 H CA -0.193 55.817 56.048 -0.063 0.000 1.300 851 H CB 1.099 30.861 29.762 0.000 0.000 1.494 851 H HN 0.656 nan 8.280 nan 0.000 0.542 852 Y N 0.791 121.205 120.300 0.191 0.000 2.219 852 Y HA -0.330 4.222 4.550 0.003 0.000 0.283 852 Y C 2.060 178.021 175.900 0.102 0.000 1.191 852 Y CA 1.480 59.655 58.100 0.124 0.000 1.199 852 Y CB 0.149 38.679 38.460 0.117 0.000 0.972 852 Y HN 0.683 nan 8.280 nan 0.000 0.527 853 D N -1.698 118.863 120.400 0.269 0.000 2.363 853 D HA -0.154 4.488 4.640 0.003 0.000 0.220 853 D C 0.330 176.729 176.300 0.164 0.000 0.994 853 D CA 0.757 54.868 54.000 0.184 0.000 0.890 853 D CB -0.383 40.508 40.800 0.152 0.000 0.906 853 D HN 0.205 nan 8.370 nan 0.000 0.530 854 N N -1.062 117.739 118.700 0.168 0.000 2.921 854 N HA -0.160 4.582 4.740 0.003 0.000 0.248 854 N C -0.949 174.655 175.510 0.156 0.000 1.118 854 N CA 1.000 54.135 53.050 0.143 0.000 0.740 854 N CB -1.515 37.047 38.487 0.126 0.000 1.091 854 N HN 0.406 nan 8.380 nan 0.000 0.553 855 T N -0.547 114.105 114.554 0.164 0.000 2.950 855 T HA 0.512 4.864 4.350 0.003 0.000 0.288 855 T C -0.245 174.533 174.700 0.130 0.000 1.035 855 T CA 0.084 62.277 62.100 0.155 0.000 1.028 855 T CB 1.398 70.357 68.868 0.152 0.000 1.109 855 T HN 0.043 nan 8.240 nan 0.000 0.514 856 T N 4.130 118.732 114.554 0.080 0.000 2.821 856 T HA 0.535 4.886 4.350 0.003 0.000 0.307 856 T C -0.311 174.412 174.700 0.038 0.000 1.034 856 T CA -0.526 61.616 62.100 0.070 0.000 0.953 856 T CB 0.288 69.210 68.868 0.090 0.000 0.968 856 T HN 0.470 nan 8.240 nan 0.000 0.462 857 R N 2.142 122.714 120.500 0.121 0.000 2.912 857 R HA 0.554 4.896 4.340 0.003 0.000 0.262 857 R C 0.506 176.867 176.300 0.101 0.000 1.057 857 R CA -1.098 55.056 56.100 0.090 0.000 0.981 857 R CB 1.679 32.026 30.300 0.078 0.000 1.201 857 R HN 0.707 nan 8.270 nan 0.000 0.484 858 N N -1.384 117.348 118.700 0.055 0.000 2.786 858 N HA 0.091 4.833 4.740 0.003 0.000 0.315 858 N C 0.480 176.033 175.510 0.071 0.000 1.359 858 N CA -0.505 52.573 53.050 0.047 0.000 0.846 858 N CB 0.420 38.917 38.487 0.016 0.000 1.117 858 N HN 0.439 nan 8.380 nan 0.000 0.541 859 S N -0.729 114.998 115.700 0.046 0.000 2.522 859 S HA 0.075 4.547 4.470 0.003 0.000 0.227 859 S C 1.785 176.402 174.600 0.029 0.000 0.986 859 S CA 0.112 58.338 58.200 0.044 0.000 0.929 859 S CB -0.510 62.712 63.200 0.036 0.000 0.769 859 S HN 0.431 nan 8.310 nan 0.000 0.529 860 L N 0.493 121.729 121.223 0.021 0.000 2.130 860 L HA 0.358 4.700 4.340 0.003 0.000 0.200 860 L C 2.172 179.036 176.870 -0.011 0.000 1.075 860 L CA 1.037 55.883 54.840 0.011 0.000 0.768 860 L CB -0.477 41.593 42.059 0.018 0.000 0.933 860 L HN 0.578 nan 8.230 nan 0.000 0.451 861 G N -1.443 107.344 108.800 -0.022 0.000 2.902 861 G HA2 -0.161 3.801 3.960 0.003 0.000 0.215 861 G HA3 -0.161 3.801 3.960 0.003 0.000 0.215 861 G C -0.306 174.569 174.900 -0.042 0.000 0.976 861 G CA -0.645 44.420 45.100 -0.058 0.000 0.794 861 G HN 0.222 nan 8.290 nan 0.000 0.557 862 N N 1.506 120.192 118.700 -0.024 0.000 2.414 862 N HA 0.340 5.082 4.740 0.003 0.000 0.268 862 N C 0.659 176.127 175.510 -0.072 0.000 1.286 862 N CA 0.216 53.247 53.050 -0.032 0.000 0.896 862 N CB 1.325 39.804 38.487 -0.014 0.000 1.093 862 N HN 0.189 nan 8.380 nan 0.000 0.480 863 V N 3.275 123.110 119.914 -0.131 0.000 2.872 863 V HA 0.018 4.140 4.120 0.003 0.000 0.307 863 V C 1.535 177.461 176.094 -0.279 0.000 1.072 863 V CA 0.483 62.616 62.300 -0.278 0.000 1.148 863 V CB 0.483 31.945 31.823 -0.602 0.000 0.954 863 V HN 0.644 nan 8.190 nan 0.000 0.490 864 I N 1.380 121.797 120.570 -0.254 0.000 4.228 864 I HA 0.205 4.377 4.170 0.003 0.000 0.298 864 I C 0.515 176.527 176.117 -0.175 0.000 1.206 864 I CA 0.251 61.456 61.300 -0.158 0.000 1.322 864 I CB 0.505 38.466 38.000 -0.066 0.000 1.411 864 I HN 0.548 nan 8.210 nan 0.000 0.454 865 Q N -0.094 119.601 119.800 -0.175 0.000 2.331 865 Q HA 0.383 4.725 4.340 0.003 0.000 0.272 865 Q C -0.695 175.235 176.000 -0.116 0.000 1.062 865 Q CA -0.524 55.231 55.803 -0.080 0.000 0.806 865 Q CB 2.546 31.319 28.738 0.058 0.000 1.312 865 Q HN 0.092 nan 8.270 nan 0.000 0.431 866 F N 1.203 121.195 119.950 0.070 0.000 2.780 866 F HA 0.219 4.748 4.527 0.003 0.000 0.299 866 F C 0.378 176.223 175.800 0.076 0.000 1.146 866 F CA 0.522 58.562 58.000 0.067 0.000 1.428 866 F CB 0.640 39.670 39.000 0.050 0.000 1.115 866 F HN 0.337 nan 8.300 nan 0.000 0.583 867 I N -1.252 119.453 120.570 0.225 0.000 2.637 867 I HA 0.047 4.219 4.170 0.003 0.000 0.285 867 I C -1.023 175.188 176.117 0.158 0.000 1.222 867 I CA -0.979 60.426 61.300 0.174 0.000 1.067 867 I CB 0.834 38.916 38.000 0.136 0.000 1.279 867 I HN -0.223 nan 8.210 nan 0.000 0.441 868 Y N 6.740 127.076 120.300 0.060 0.000 2.916 868 Y HA 0.208 4.760 4.550 0.003 0.000 0.344 868 Y C 1.412 177.346 175.900 0.058 0.000 1.282 868 Y CA 1.365 59.494 58.100 0.048 0.000 1.604 868 Y CB 0.150 38.630 38.460 0.033 0.000 1.207 868 Y HN 0.896 nan 8.280 nan 0.000 0.561 869 G N 4.573 113.099 108.800 -0.457 0.000 2.179 869 G HA2 -0.357 3.605 3.960 0.003 0.000 0.257 869 G HA3 -0.357 3.605 3.960 0.003 0.000 0.257 869 G C 0.362 175.191 174.900 -0.119 0.000 1.010 869 G CA 0.450 45.305 45.100 -0.409 0.000 0.736 869 G HN 0.969 nan 8.290 nan 0.000 0.513 870 E N -1.351 118.837 120.200 -0.021 0.000 2.883 870 E HA -0.296 4.056 4.350 0.003 0.000 0.271 870 E C 1.050 177.636 176.600 -0.022 0.000 1.049 870 E CA 1.415 57.823 56.400 0.013 0.000 0.817 870 E CB -0.571 29.142 29.700 0.022 0.000 1.407 870 E HN 0.949 nan 8.360 nan 0.000 0.434 871 D N -2.769 117.607 120.400 -0.040 0.000 2.310 871 D HA 0.041 4.683 4.640 0.003 0.000 0.470 871 D C 1.059 177.343 176.300 -0.026 0.000 1.038 871 D CA 0.672 54.653 54.000 -0.031 0.000 1.012 871 D CB -0.560 40.203 40.800 -0.062 0.000 1.458 871 D HN 0.352 nan 8.370 nan 0.000 0.457 872 G N 1.183 109.973 108.800 -0.016 0.000 2.168 872 G HA2 -0.290 3.671 3.960 0.003 0.000 0.257 872 G HA3 -0.290 3.671 3.960 0.003 0.000 0.257 872 G C -0.046 174.855 174.900 0.000 0.000 0.997 872 G CA 0.862 45.986 45.100 0.039 0.000 0.708 872 G HN 0.393 nan 8.290 nan 0.000 0.520 873 M N 0.833 120.405 119.600 -0.046 0.000 2.300 873 M HA 0.487 4.969 4.480 0.003 0.000 0.348 873 M C -0.110 176.247 176.300 0.096 0.000 1.151 873 M CA -1.518 53.743 55.300 -0.064 0.000 1.046 873 M CB 1.455 33.975 32.600 -0.133 0.000 1.647 873 M HN 0.136 nan 8.290 nan 0.000 0.451 874 D N 2.837 123.329 120.400 0.154 0.000 2.338 874 D HA 0.341 4.983 4.640 0.003 0.000 0.255 874 D C 0.992 177.416 176.300 0.207 0.000 1.237 874 D CA 0.329 54.491 54.000 0.269 0.000 0.883 874 D CB 0.866 41.856 40.800 0.317 0.000 1.087 874 D HN 0.717 nan 8.370 nan 0.000 0.485 875 A N 4.659 127.595 122.820 0.192 0.000 1.984 875 A HA -0.318 4.004 4.320 0.003 0.000 0.224 875 A C 2.215 179.838 177.584 0.064 0.000 1.256 875 A CA 2.755 54.856 52.037 0.108 0.000 0.679 875 A CB -1.048 18.031 19.000 0.132 0.000 0.829 875 A HN 0.758 nan 8.150 nan 0.000 0.483 876 A N -1.151 121.679 122.820 0.017 0.000 1.917 876 A HA -0.189 4.133 4.320 0.003 0.000 0.219 876 A C 1.380 178.854 177.584 -0.184 0.000 1.182 876 A CA 1.404 53.364 52.037 -0.127 0.000 0.633 876 A CB -0.820 18.018 19.000 -0.270 0.000 0.819 876 A HN 0.730 nan 8.150 nan 0.000 0.448 877 H N -0.481 118.609 119.070 0.032 0.000 2.745 877 H HA 0.540 5.098 4.556 0.003 0.000 0.235 877 H C -0.866 174.459 175.328 -0.006 0.000 1.815 877 H CA 0.183 56.231 56.048 0.001 0.000 1.321 877 H CB -0.585 29.145 29.762 -0.054 0.000 1.716 877 H HN 0.346 nan 8.280 nan 0.000 0.546 878 I N 1.323 121.957 120.570 0.106 0.000 2.787 878 I HA 0.197 4.369 4.170 0.003 0.000 0.294 878 I C -0.738 175.468 176.117 0.148 0.000 1.365 878 I CA -0.674 60.688 61.300 0.103 0.000 1.029 878 I CB 2.909 40.965 38.000 0.095 0.000 1.313 878 I HN 0.259 nan 8.210 nan 0.000 0.431 879 E N 3.443 123.725 120.200 0.137 0.000 2.413 879 E HA 0.420 4.772 4.350 0.003 0.000 0.277 879 E C -1.494 175.185 176.600 0.131 0.000 0.958 879 E CA -1.246 55.252 56.400 0.164 0.000 0.779 879 E CB 2.580 32.338 29.700 0.097 0.000 1.278 879 E HN 0.341 nan 8.360 nan 0.000 0.456 880 K N 2.040 122.510 120.400 0.117 0.000 2.378 880 K HA 0.117 4.439 4.320 0.003 0.000 0.288 880 K C -0.268 176.355 176.600 0.039 0.000 1.057 880 K CA 0.236 56.555 56.287 0.053 0.000 0.971 880 K CB 0.506 33.007 32.500 0.001 0.000 0.975 880 K HN 0.325 nan 8.250 nan 0.000 0.475 881 Q N 0.661 120.490 119.800 0.047 0.000 2.486 881 Q HA 0.381 4.722 4.340 0.003 0.000 0.274 881 Q C -0.619 175.394 176.000 0.022 0.000 1.076 881 Q CA -1.003 54.828 55.803 0.047 0.000 0.872 881 Q CB 2.042 30.832 28.738 0.087 0.000 1.383 881 Q HN 0.636 nan 8.270 nan 0.000 0.478 882 S N -0.117 115.598 115.700 0.025 0.000 2.502 882 S HA 0.522 4.993 4.470 0.003 0.000 0.304 882 S C -0.458 174.166 174.600 0.039 0.000 1.097 882 S CA -0.816 57.391 58.200 0.012 0.000 1.045 882 S CB 0.537 63.733 63.200 -0.007 0.000 1.019 882 S HN 0.503 nan 8.310 nan 0.000 0.481 883 L N 3.563 124.810 121.223 0.040 0.000 2.422 883 L HA 0.271 4.613 4.340 0.003 0.000 0.256 883 L C 0.798 177.695 176.870 0.046 0.000 1.202 883 L CA -0.499 54.366 54.840 0.042 0.000 1.119 883 L CB -0.291 41.782 42.059 0.025 0.000 1.383 883 L HN 0.788 nan 8.230 nan 0.000 0.411 884 D N 0.485 120.930 120.400 0.074 0.000 2.170 884 D HA -0.216 4.426 4.640 0.003 0.000 0.193 884 D C 1.684 178.041 176.300 0.096 0.000 1.004 884 D CA 1.833 55.896 54.000 0.104 0.000 0.860 884 D CB 0.145 41.053 40.800 0.180 0.000 0.931 884 D HN 0.478 nan 8.370 nan 0.000 0.448 885 T N 1.303 115.894 114.554 0.062 0.000 2.760 885 T HA -0.174 4.178 4.350 0.003 0.000 0.269 885 T C 2.082 176.803 174.700 0.034 0.000 1.047 885 T CA 0.600 62.708 62.100 0.014 0.000 1.139 885 T CB -0.096 68.764 68.868 -0.014 0.000 0.855 885 T HN 0.218 nan 8.240 nan 0.000 0.471 886 I N 0.126 120.713 120.570 0.029 0.000 2.130 886 I HA 0.055 4.227 4.170 0.003 0.000 0.234 886 I C 1.748 177.885 176.117 0.033 0.000 1.067 886 I CA 0.531 61.845 61.300 0.023 0.000 1.339 886 I CB -0.691 37.318 38.000 0.016 0.000 1.073 886 I HN 0.244 nan 8.210 nan 0.000 0.405 887 G N 0.237 109.045 108.800 0.012 0.000 2.483 887 G HA2 0.451 4.413 3.960 0.003 0.000 0.248 887 G HA3 0.451 4.413 3.960 0.003 0.000 0.248 887 G C -0.224 174.724 174.900 0.080 0.000 1.248 887 G CA 0.500 45.614 45.100 0.024 0.000 0.838 887 G HN 0.671 nan 8.290 nan 0.000 0.566 888 G N -0.107 108.757 108.800 0.106 0.000 2.764 888 G HA2 0.404 4.366 3.960 0.003 0.000 0.678 888 G HA3 0.404 4.366 3.960 0.003 0.000 0.678 888 G C -0.031 174.934 174.900 0.108 0.000 1.341 888 G CA -0.088 45.079 45.100 0.111 0.000 0.836 888 G HN 1.827 nan 8.290 nan 0.000 0.632 889 S N 0.868 116.625 115.700 0.095 0.000 2.566 889 S HA 0.202 4.673 4.470 0.003 0.000 0.280 889 S C 1.050 175.698 174.600 0.080 0.000 1.343 889 S CA 0.631 58.875 58.200 0.073 0.000 1.036 889 S CB 1.362 64.602 63.200 0.065 0.000 0.866 889 S HN 0.592 nan 8.310 nan 0.000 0.526 890 D N 1.760 122.183 120.400 0.037 0.000 2.228 890 D HA -0.130 4.512 4.640 0.003 0.000 0.203 890 D C 2.016 178.396 176.300 0.134 0.000 0.988 890 D CA 1.503 55.522 54.000 0.033 0.000 0.864 890 D CB -0.370 40.428 40.800 -0.004 0.000 0.928 890 D HN 0.727 nan 8.370 nan 0.000 0.469 891 A N 1.388 124.276 122.820 0.114 0.000 1.828 891 A HA -0.069 4.253 4.320 0.003 0.000 0.215 891 A C 2.433 180.109 177.584 0.153 0.000 1.203 891 A CA 2.313 54.423 52.037 0.121 0.000 0.614 891 A CB -1.078 17.970 19.000 0.081 0.000 0.844 891 A HN 0.224 nan 8.150 nan 0.000 0.445 892 A N -1.252 121.651 122.820 0.139 0.000 1.940 892 A HA -0.216 4.105 4.320 0.003 0.000 0.221 892 A C 2.058 179.762 177.584 0.200 0.000 1.190 892 A CA 2.086 54.205 52.037 0.137 0.000 0.647 892 A CB -0.955 18.118 19.000 0.122 0.000 0.821 892 A HN 0.758 nan 8.150 nan 0.000 0.457 893 F N 0.470 120.469 119.950 0.082 0.000 2.063 893 F HA -0.266 4.263 4.527 0.003 0.000 0.298 893 F C 2.275 178.193 175.800 0.197 0.000 1.109 893 F CA 2.529 60.583 58.000 0.091 0.000 1.212 893 F CB -0.428 38.568 39.000 -0.006 0.000 0.973 893 F HN 0.454 nan 8.300 nan 0.000 0.480 894 E N 0.178 120.589 120.200 0.352 0.000 2.012 894 E HA -0.330 4.022 4.350 0.003 0.000 0.197 894 E C 2.287 178.943 176.600 0.094 0.000 1.007 894 E CA 1.634 58.202 56.400 0.280 0.000 0.816 894 E CB -0.363 29.485 29.700 0.247 0.000 0.762 894 E HN 0.354 nan 8.360 nan 0.000 0.451 895 K N 0.319 120.745 120.400 0.043 0.000 2.362 895 K HA -0.222 4.100 4.320 0.003 0.000 0.202 895 K C 2.086 178.654 176.600 -0.052 0.000 1.045 895 K CA 1.250 57.510 56.287 -0.045 0.000 0.936 895 K CB 0.035 32.518 32.500 -0.027 0.000 0.747 895 K HN -0.017 nan 8.250 nan 0.000 0.467 896 R N -1.413 119.085 120.500 -0.003 0.000 2.140 896 R HA 0.022 4.364 4.340 0.003 0.000 0.200 896 R C 1.147 177.347 176.300 -0.166 0.000 1.069 896 R CA 0.430 56.487 56.100 -0.070 0.000 1.088 896 R CB 0.165 30.475 30.300 0.017 0.000 1.012 896 R HN 0.149 nan 8.270 nan 0.000 0.500 897 Y N 0.023 120.176 120.300 -0.244 0.000 2.458 897 Y HA 0.271 4.823 4.550 0.003 0.000 0.254 897 Y C 0.379 176.308 175.900 0.048 0.000 1.120 897 Y CA -0.238 57.738 58.100 -0.206 0.000 1.282 897 Y CB 0.252 38.394 38.460 -0.530 0.000 1.109 897 Y HN -0.123 nan 8.280 nan 0.000 0.526 898 R N 1.129 121.764 120.500 0.225 0.000 2.340 898 R HA 0.509 4.851 4.340 0.003 0.000 0.300 898 R C -1.531 174.726 176.300 -0.072 0.000 1.069 898 R CA -0.128 55.983 56.100 0.018 0.000 0.984 898 R CB 0.407 30.609 30.300 -0.163 0.000 1.003 898 R HN -0.096 nan 8.270 nan 0.000 0.459 899 V N 4.641 124.500 119.914 -0.091 0.000 2.686 899 V HA 0.350 4.471 4.120 0.003 0.000 0.306 899 V C -1.226 174.829 176.094 -0.066 0.000 1.065 899 V CA -0.798 61.467 62.300 -0.059 0.000 0.894 899 V CB 2.021 33.823 31.823 -0.035 0.000 1.004 899 V HN 0.820 nan 8.190 nan 0.000 0.424 900 D N 3.960 124.345 120.400 -0.026 0.000 2.542 900 D HA 0.367 5.009 4.640 0.003 0.000 0.252 900 D C 0.376 176.672 176.300 -0.007 0.000 1.222 900 D CA -0.380 53.607 54.000 -0.021 0.000 0.895 900 D CB 2.000 42.801 40.800 0.001 0.000 1.207 900 D HN 0.411 nan 8.370 nan 0.000 0.558 901 L N 3.044 124.256 121.223 -0.018 0.000 2.610 901 L HA 0.139 4.481 4.340 0.003 0.000 0.232 901 L C 0.941 177.801 176.870 -0.016 0.000 1.149 901 L CA 0.496 55.327 54.840 -0.016 0.000 0.872 901 L CB 0.006 42.054 42.059 -0.018 0.000 0.992 901 L HN 0.339 nan 8.230 nan 0.000 0.447 902 L N 0.133 121.344 121.223 -0.021 0.000 2.959 902 L HA 0.359 4.701 4.340 0.003 0.000 0.236 902 L C -0.418 176.431 176.870 -0.036 0.000 1.296 902 L CA -0.047 54.777 54.840 -0.027 0.000 1.047 902 L CB -0.337 41.703 42.059 -0.031 0.000 1.395 902 L HN 0.207 nan 8.230 nan 0.000 0.492 903 N N -1.094 117.590 118.700 -0.025 0.000 3.186 903 N HA 0.014 4.756 4.740 0.003 0.000 0.230 903 N C 0.469 175.978 175.510 -0.002 0.000 1.062 903 N CA -0.142 52.887 53.050 -0.035 0.000 1.084 903 N CB 1.323 39.760 38.487 -0.083 0.000 1.662 903 N HN -0.009 nan 8.380 nan 0.000 0.627 904 T N 0.682 115.232 114.554 -0.006 0.000 2.869 904 T HA -0.105 4.247 4.350 0.003 0.000 0.270 904 T C 0.341 175.063 174.700 0.037 0.000 1.082 904 T CA 1.186 63.291 62.100 0.009 0.000 1.123 904 T CB -0.096 68.772 68.868 0.000 0.000 0.856 904 T HN 0.540 nan 8.240 nan 0.000 0.499 905 D N -0.652 119.797 120.400 0.081 0.000 2.474 905 D HA 0.077 4.719 4.640 0.003 0.000 0.213 905 D C 0.627 177.104 176.300 0.295 0.000 1.120 905 D CA 0.271 54.368 54.000 0.162 0.000 0.836 905 D CB 0.268 41.177 40.800 0.181 0.000 1.019 905 D HN 0.384 nan 8.370 nan 0.000 0.507 906 H N -0.418 118.631 119.070 -0.036 0.000 2.674 906 H HA 0.299 4.857 4.556 0.003 0.000 0.274 906 H C 0.072 175.369 175.328 -0.052 0.000 1.121 906 H CA -0.049 55.971 56.048 -0.046 0.000 1.132 906 H CB 0.589 30.317 29.762 -0.056 0.000 1.606 906 H HN -0.165 nan 8.280 nan 0.000 0.558 907 T N 0.614 115.202 114.554 0.056 0.000 2.936 907 T HA 0.426 4.778 4.350 0.003 0.000 0.282 907 T C 0.242 174.932 174.700 -0.016 0.000 1.003 907 T CA -0.797 61.308 62.100 0.009 0.000 1.005 907 T CB 1.105 69.975 68.868 0.004 0.000 1.097 907 T HN 0.075 nan 8.240 nan 0.000 0.532 908 L N 2.397 123.603 121.223 -0.028 0.000 2.369 908 L HA 0.249 4.591 4.340 0.003 0.000 0.279 908 L C 0.773 177.625 176.870 -0.030 0.000 1.108 908 L CA -0.590 54.227 54.840 -0.038 0.000 0.852 908 L CB 0.122 42.154 42.059 -0.045 0.000 1.169 908 L HN 0.597 nan 8.230 nan 0.000 0.452 909 D N 7.109 127.491 120.400 -0.029 0.000 2.434 909 D HA 0.011 4.653 4.640 0.003 0.000 0.252 909 D C -1.263 175.024 176.300 -0.022 0.000 1.185 909 D CA -1.317 52.669 54.000 -0.022 0.000 0.886 909 D CB 1.518 42.306 40.800 -0.021 0.000 1.148 909 D HN 0.357 nan 8.370 nan 0.000 0.483 910 P HA -0.190 nan 4.420 nan 0.000 0.225 910 P C 1.009 178.299 177.300 -0.017 0.000 1.141 910 P CA 0.763 63.852 63.100 -0.019 0.000 0.774 910 P CB -0.013 31.677 31.700 -0.015 0.000 0.760 911 S N -1.665 114.026 115.700 -0.015 0.000 2.555 911 S HA 0.000 4.472 4.470 0.003 0.000 0.230 911 S C 1.731 176.324 174.600 -0.011 0.000 0.978 911 S CA 0.332 58.526 58.200 -0.011 0.000 0.934 911 S CB -0.984 62.211 63.200 -0.008 0.000 0.766 911 S HN 0.179 nan 8.310 nan 0.000 0.533 912 L N -0.800 120.412 121.223 -0.019 0.000 2.519 912 L HA 0.497 4.839 4.340 0.003 0.000 0.194 912 L C 0.466 177.318 176.870 -0.030 0.000 1.072 912 L CA -0.251 54.575 54.840 -0.023 0.000 0.845 912 L CB -0.395 41.644 42.059 -0.034 0.000 1.138 912 L HN 0.280 nan 8.230 nan 0.000 0.487 913 L N 0.611 121.813 121.223 -0.035 0.000 2.289 913 L HA 0.253 4.595 4.340 0.003 0.000 0.285 913 L C 1.053 177.903 176.870 -0.033 0.000 1.049 913 L CA 0.151 54.967 54.840 -0.041 0.000 0.804 913 L CB 1.249 43.279 42.059 -0.049 0.000 1.195 913 L HN 0.121 nan 8.230 nan 0.000 0.428 914 E N 1.591 121.771 120.200 -0.033 0.000 2.049 914 E HA -0.195 4.157 4.350 0.003 0.000 0.198 914 E C 0.813 177.398 176.600 -0.025 0.000 1.007 914 E CA 1.814 58.198 56.400 -0.026 0.000 0.809 914 E CB 0.133 29.817 29.700 -0.027 0.000 0.749 914 E HN 0.824 nan 8.360 nan 0.000 0.450 915 S N -0.698 114.985 115.700 -0.029 0.000 2.815 915 S HA 0.231 4.703 4.470 0.003 0.000 0.254 915 S C 1.109 175.692 174.600 -0.027 0.000 1.197 915 S CA -0.144 58.040 58.200 -0.027 0.000 1.216 915 S CB 0.674 63.857 63.200 -0.029 0.000 0.871 915 S HN 0.336 nan 8.310 nan 0.000 0.473 916 G N 2.736 111.521 108.800 -0.026 0.000 2.424 916 G HA2 -0.163 3.798 3.960 0.003 0.000 0.214 916 G HA3 -0.163 3.798 3.960 0.003 0.000 0.214 916 G C 1.684 176.572 174.900 -0.020 0.000 1.202 916 G CA 0.764 45.849 45.100 -0.025 0.000 0.793 916 G HN 0.776 nan 8.290 nan 0.000 0.534 917 S N 1.545 117.235 115.700 -0.017 0.000 2.399 917 S HA -0.145 4.327 4.470 0.003 0.000 0.231 917 S C 1.918 176.510 174.600 -0.014 0.000 1.022 917 S CA 1.738 59.930 58.200 -0.014 0.000 0.983 917 S CB -0.414 62.778 63.200 -0.012 0.000 0.803 917 S HN 0.727 nan 8.310 nan 0.000 0.480 918 E N 0.386 120.576 120.200 -0.015 0.000 2.463 918 E HA 0.257 4.609 4.350 0.003 0.000 0.191 918 E C 1.402 177.992 176.600 -0.016 0.000 1.083 918 E CA 0.099 56.490 56.400 -0.015 0.000 0.872 918 E CB -0.253 29.438 29.700 -0.014 0.000 0.966 918 E HN 0.605 nan 8.360 nan 0.000 0.491 919 I N 0.236 120.795 120.570 -0.018 0.000 3.194 919 I HA 0.054 4.226 4.170 0.003 0.000 0.271 919 I C 1.047 177.154 176.117 -0.017 0.000 1.150 919 I CA -0.424 60.864 61.300 -0.019 0.000 1.440 919 I CB 0.428 38.413 38.000 -0.024 0.000 1.276 919 I HN 0.201 nan 8.210 nan 0.000 0.457 920 L N 2.577 123.790 121.223 -0.016 0.000 2.841 920 L HA -0.139 4.203 4.340 0.003 0.000 0.282 920 L C 1.030 177.892 176.870 -0.015 0.000 1.130 920 L CA 1.226 56.058 54.840 -0.015 0.000 0.996 920 L CB -0.236 41.816 42.059 -0.013 0.000 1.364 920 L HN 0.600 nan 8.230 nan 0.000 0.466 921 G N 2.545 111.336 108.800 -0.016 0.000 2.424 921 G HA2 -0.278 3.684 3.960 0.003 0.000 0.207 921 G HA3 -0.278 3.684 3.960 0.003 0.000 0.207 921 G C 0.236 175.128 174.900 -0.015 0.000 1.061 921 G CA 0.028 45.118 45.100 -0.016 0.000 0.657 921 G HN 0.718 nan 8.290 nan 0.000 0.508 922 D N 1.404 121.795 120.400 -0.014 0.000 2.982 922 D HA 0.014 4.656 4.640 0.003 0.000 0.222 922 D C 1.613 177.905 176.300 -0.013 0.000 1.124 922 D CA 0.616 54.608 54.000 -0.013 0.000 0.810 922 D CB 0.285 41.076 40.800 -0.014 0.000 1.152 922 D HN 0.305 nan 8.370 nan 0.000 0.538 923 L N 4.078 125.294 121.223 -0.011 0.000 2.270 923 L HA -0.058 4.284 4.340 0.003 0.000 0.210 923 L C 2.331 179.196 176.870 -0.008 0.000 1.104 923 L CA 0.521 55.355 54.840 -0.010 0.000 0.804 923 L CB 0.039 42.093 42.059 -0.009 0.000 0.937 923 L HN 0.352 nan 8.230 nan 0.000 0.450 924 K N -0.252 120.143 120.400 -0.008 0.000 2.362 924 K HA -0.077 4.245 4.320 0.003 0.000 0.200 924 K C 1.891 178.487 176.600 -0.006 0.000 1.046 924 K CA 0.780 57.064 56.287 -0.006 0.000 0.952 924 K CB 0.166 32.663 32.500 -0.006 0.000 0.753 924 K HN 0.304 nan 8.250 nan 0.000 0.466 925 L N 0.265 121.483 121.223 -0.009 0.000 2.127 925 L HA -0.086 4.256 4.340 0.003 0.000 0.203 925 L C 2.234 179.100 176.870 -0.006 0.000 1.080 925 L CA 0.596 55.430 54.840 -0.009 0.000 0.768 925 L CB -0.325 41.725 42.059 -0.015 0.000 0.924 925 L HN 0.144 nan 8.230 nan 0.000 0.444 926 Q N 0.090 119.886 119.800 -0.008 0.000 2.376 926 Q HA -0.158 4.184 4.340 0.003 0.000 0.211 926 Q C 2.099 178.099 176.000 0.001 0.000 0.986 926 Q CA 1.106 56.904 55.803 -0.008 0.000 0.886 926 Q CB -0.294 28.436 28.738 -0.013 0.000 0.927 926 Q HN 0.377 nan 8.270 nan 0.000 0.457 927 V N -0.178 119.738 119.914 0.004 0.000 2.446 927 V HA -0.168 3.954 4.120 0.003 0.000 0.244 927 V C 2.305 178.410 176.094 0.018 0.000 1.039 927 V CA 0.835 63.141 62.300 0.011 0.000 1.045 927 V CB -0.394 31.434 31.823 0.008 0.000 0.681 927 V HN 0.249 nan 8.190 nan 0.000 0.459 928 L N -0.660 120.571 121.223 0.013 0.000 1.976 928 L HA -0.170 4.172 4.340 0.003 0.000 0.209 928 L C 2.556 179.444 176.870 0.030 0.000 1.071 928 L CA 1.328 56.178 54.840 0.018 0.000 0.746 928 L CB -0.695 41.369 42.059 0.008 0.000 0.890 928 L HN 0.276 nan 8.230 nan 0.000 0.432 929 L N 0.019 121.255 121.223 0.022 0.000 2.051 929 L HA -0.306 4.036 4.340 0.003 0.000 0.214 929 L C 2.262 179.169 176.870 0.062 0.000 1.076 929 L CA 2.022 56.882 54.840 0.032 0.000 0.758 929 L CB -1.108 40.956 42.059 0.007 0.000 0.890 929 L HN 0.392 nan 8.230 nan 0.000 0.433 930 D N -0.912 119.517 120.400 0.049 0.000 2.194 930 D HA -0.123 4.519 4.640 0.003 0.000 0.204 930 D C 2.084 178.450 176.300 0.111 0.000 0.964 930 D CA 0.562 54.608 54.000 0.076 0.000 0.846 930 D CB 0.239 41.064 40.800 0.041 0.000 0.962 930 D HN 0.422 nan 8.370 nan 0.000 0.490 931 E N 0.875 121.120 120.200 0.076 0.000 2.023 931 E HA -0.212 4.140 4.350 0.003 0.000 0.196 931 E C 1.948 178.601 176.600 0.088 0.000 1.003 931 E CA 0.923 57.364 56.400 0.068 0.000 0.809 931 E CB -0.053 29.672 29.700 0.042 0.000 0.755 931 E HN 0.338 nan 8.360 nan 0.000 0.449 932 E N 0.051 120.305 120.200 0.089 0.000 2.108 932 E HA -0.299 4.053 4.350 0.003 0.000 0.203 932 E C 1.986 178.670 176.600 0.141 0.000 1.022 932 E CA 1.587 58.045 56.400 0.097 0.000 0.823 932 E CB -0.267 29.491 29.700 0.096 0.000 0.744 932 E HN 0.327 nan 8.360 nan 0.000 0.456 933 Y N 0.769 121.100 120.300 0.052 0.000 2.220 933 Y HA -0.041 4.511 4.550 0.003 0.000 0.291 933 Y C 1.933 177.888 175.900 0.092 0.000 1.129 933 Y CA 1.585 59.732 58.100 0.079 0.000 1.161 933 Y CB 0.184 38.689 38.460 0.075 0.000 0.997 933 Y HN -0.086 nan 8.280 nan 0.000 0.522 934 K N -0.249 120.279 120.400 0.212 0.000 2.515 934 K HA -0.183 4.139 4.320 0.003 0.000 0.196 934 K C 1.703 178.327 176.600 0.041 0.000 1.038 934 K CA 0.929 57.289 56.287 0.122 0.000 0.967 934 K CB 0.080 32.645 32.500 0.109 0.000 0.780 934 K HN 0.316 nan 8.250 nan 0.000 0.483 935 Q N 0.682 120.498 119.800 0.026 0.000 2.263 935 Q HA 0.076 4.418 4.340 0.003 0.000 0.196 935 Q C 1.721 177.703 176.000 -0.030 0.000 0.965 935 Q CA 0.816 56.618 55.803 -0.002 0.000 0.851 935 Q CB -0.051 28.690 28.738 0.004 0.000 0.948 935 Q HN 0.163 nan 8.270 nan 0.000 0.516 936 L N 0.095 121.295 121.223 -0.039 0.000 2.137 936 L HA -0.209 4.133 4.340 0.003 0.000 0.213 936 L C 2.248 179.104 176.870 -0.023 0.000 1.085 936 L CA 0.942 55.754 54.840 -0.045 0.000 0.760 936 L CB -0.726 41.270 42.059 -0.105 0.000 0.893 936 L HN 0.130 nan 8.230 nan 0.000 0.434 937 V N 0.108 119.969 119.914 -0.088 0.000 2.270 937 V HA -0.295 3.827 4.120 0.003 0.000 0.245 937 V C 2.679 178.717 176.094 -0.094 0.000 1.043 937 V CA 2.042 64.262 62.300 -0.133 0.000 1.014 937 V CB -0.400 31.358 31.823 -0.107 0.000 0.645 937 V HN 0.459 nan 8.190 nan 0.000 0.447 938 K N -0.201 120.174 120.400 -0.041 0.000 2.032 938 K HA -0.263 4.059 4.320 0.003 0.000 0.209 938 K C 1.826 178.438 176.600 0.020 0.000 1.048 938 K CA 2.204 58.489 56.287 -0.004 0.000 0.927 938 K CB -0.324 32.181 32.500 0.008 0.000 0.712 938 K HN 0.439 nan 8.250 nan 0.000 0.441 939 D N 0.292 120.682 120.400 -0.016 0.000 2.126 939 D HA -0.209 4.433 4.640 0.003 0.000 0.190 939 D C 1.928 178.250 176.300 0.037 0.000 1.001 939 D CA 1.378 55.368 54.000 -0.016 0.000 0.841 939 D CB -0.175 40.593 40.800 -0.054 0.000 0.949 939 D HN 0.172 nan 8.370 nan 0.000 0.446 940 R N 0.787 121.263 120.500 -0.039 0.000 2.196 940 R HA -0.194 4.148 4.340 0.003 0.000 0.227 940 R C 2.036 178.330 176.300 -0.009 0.000 1.108 940 R CA 1.858 57.908 56.100 -0.084 0.000 0.884 940 R CB -0.086 30.043 30.300 -0.285 0.000 0.839 940 R HN -0.019 nan 8.270 nan 0.000 0.431 941 K N 0.039 120.417 120.400 -0.036 0.000 2.052 941 K HA -0.252 4.070 4.320 0.003 0.000 0.215 941 K C 2.088 178.707 176.600 0.032 0.000 1.053 941 K CA 2.070 58.347 56.287 -0.017 0.000 0.934 941 K CB -1.054 31.428 32.500 -0.030 0.000 0.717 941 K HN 0.323 nan 8.250 nan 0.000 0.450 942 F N 1.894 121.809 119.950 -0.058 0.000 2.063 942 F HA -0.263 4.266 4.527 0.003 0.000 0.298 942 F C 2.163 177.937 175.800 -0.044 0.000 1.109 942 F CA 1.549 59.517 58.000 -0.054 0.000 1.212 942 F CB -0.247 38.723 39.000 -0.049 0.000 0.973 942 F HN -0.086 nan 8.300 nan 0.000 0.480 943 L N -0.048 121.399 121.223 0.373 0.000 2.017 943 L HA -0.220 4.122 4.340 0.003 0.000 0.208 943 L C 2.455 179.415 176.870 0.149 0.000 1.073 943 L CA 1.522 56.545 54.840 0.305 0.000 0.745 943 L CB -0.830 41.372 42.059 0.238 0.000 0.894 943 L HN 0.052 nan 8.230 nan 0.000 0.432 944 R N -0.049 120.507 120.500 0.093 0.000 2.357 944 R HA -0.114 4.227 4.340 0.003 0.000 0.202 944 R C 1.687 177.980 176.300 -0.011 0.000 1.047 944 R CA 0.601 56.750 56.100 0.083 0.000 1.034 944 R CB -0.044 30.304 30.300 0.081 0.000 0.875 944 R HN 0.487 nan 8.270 nan 0.000 0.473 945 E N -0.740 119.389 120.200 -0.117 0.000 2.415 945 E HA -0.009 4.343 4.350 0.003 0.000 0.197 945 E C 1.336 177.756 176.600 -0.299 0.000 1.007 945 E CA 0.164 56.434 56.400 -0.217 0.000 0.890 945 E CB 0.696 30.208 29.700 -0.315 0.000 0.891 945 E HN 0.059 nan 8.360 nan 0.000 0.496 946 V N -0.054 119.655 119.914 -0.343 0.000 2.521 946 V HA 0.015 4.137 4.120 0.003 0.000 0.239 946 V C 0.462 176.198 176.094 -0.596 0.000 1.053 946 V CA 0.847 62.818 62.300 -0.548 0.000 1.073 946 V CB 0.053 31.443 31.823 -0.721 0.000 0.746 946 V HN 0.099 nan 8.190 nan 0.000 0.476 947 F N 0.523 120.354 119.950 -0.199 0.000 2.441 947 F HA 0.365 4.894 4.527 0.003 0.000 0.337 947 F C 1.252 177.032 175.800 -0.033 0.000 1.182 947 F CA -0.324 57.581 58.000 -0.158 0.000 1.279 947 F CB 0.143 39.025 39.000 -0.196 0.000 1.614 947 F HN -0.169 nan 8.300 nan 0.000 0.574 948 V N 0.014 119.974 119.914 0.078 0.000 2.317 948 V HA -0.349 3.773 4.120 0.003 0.000 0.251 948 V C 2.132 178.340 176.094 0.189 0.000 1.065 948 V CA 1.987 64.353 62.300 0.110 0.000 1.049 948 V CB -0.325 31.517 31.823 0.031 0.000 0.651 948 V HN 0.590 nan 8.190 nan 0.000 0.450 949 D N 0.230 120.724 120.400 0.157 0.000 2.191 949 D HA -0.190 4.452 4.640 0.003 0.000 0.195 949 D C 1.938 178.243 176.300 0.009 0.000 1.003 949 D CA 2.226 56.301 54.000 0.126 0.000 0.867 949 D CB -0.236 40.651 40.800 0.145 0.000 0.926 949 D HN 0.668 nan 8.370 nan 0.000 0.450 950 G N 0.615 109.352 108.800 -0.104 0.000 2.179 950 G HA2 -0.265 3.697 3.960 0.003 0.000 0.220 950 G HA3 -0.265 3.697 3.960 0.003 0.000 0.220 950 G C 0.228 174.949 174.900 -0.299 0.000 0.990 950 G CA 0.380 45.091 45.100 -0.650 0.000 0.646 950 G HN 0.358 nan 8.290 nan 0.000 0.517 951 E N 0.837 121.013 120.200 -0.039 0.000 2.465 951 E HA 0.592 4.944 4.350 0.003 0.000 0.260 951 E C 1.175 177.828 176.600 0.089 0.000 0.980 951 E CA 1.023 57.417 56.400 -0.010 0.000 0.927 951 E CB 0.811 30.543 29.700 0.055 0.000 0.934 951 E HN 0.772 nan 8.360 nan 0.000 0.459 952 A N 5.042 127.814 122.820 -0.080 0.000 2.229 952 A HA 0.128 4.450 4.320 0.003 0.000 0.211 952 A C 0.174 177.696 177.584 -0.103 0.000 1.193 952 A CA -0.239 51.782 52.037 -0.026 0.000 0.879 952 A CB 0.137 19.104 19.000 -0.054 0.000 0.911 952 A HN 0.565 nan 8.150 nan 0.000 0.492 953 N N 0.297 118.759 118.700 -0.397 0.000 2.408 953 N HA 0.353 5.095 4.740 0.003 0.000 0.257 953 N C -1.623 173.340 175.510 -0.911 0.000 1.064 953 N CA 0.327 53.113 53.050 -0.440 0.000 0.952 953 N CB 0.516 38.794 38.487 -0.348 0.000 1.093 953 N HN 0.445 nan 8.380 nan 0.000 0.490 954 W N 2.090 123.292 121.300 -0.164 0.000 3.033 954 W HA 0.396 5.058 4.660 0.003 0.000 0.336 954 W C -2.099 174.403 176.519 -0.028 0.000 1.173 954 W CA -1.657 55.606 57.345 -0.137 0.000 1.185 954 W CB 1.137 30.444 29.460 -0.256 0.000 1.425 954 W HN 0.291 nan 8.180 nan 0.000 0.536 955 P HA 0.365 nan 4.420 nan 0.000 0.281 955 P C -0.978 176.439 177.300 0.195 0.000 1.252 955 P CA 0.341 63.568 63.100 0.212 0.000 0.778 955 P CB 1.383 33.238 31.700 0.257 0.000 0.895 956 L N 4.352 125.669 121.223 0.156 0.000 2.540 956 L HA 0.495 4.837 4.340 0.003 0.000 0.256 956 L C -2.489 174.426 176.870 0.074 0.000 1.001 956 L CA -2.515 52.406 54.840 0.134 0.000 0.843 956 L CB 3.290 45.481 42.059 0.219 0.000 1.436 956 L HN 0.190 nan 8.230 nan 0.000 0.410 957 P HA 0.143 nan 4.420 nan 0.000 0.274 957 P C -0.597 176.656 177.300 -0.078 0.000 1.246 957 P CA 0.003 63.024 63.100 -0.132 0.000 0.795 957 P CB 1.380 32.856 31.700 -0.373 0.000 1.006 958 V N -0.094 119.794 119.914 -0.045 0.000 3.683 958 V HA -0.219 3.903 4.120 0.003 0.000 0.493 958 V C 0.468 176.627 176.094 0.109 0.000 0.682 958 V CA 0.390 62.716 62.300 0.044 0.000 2.008 958 V CB -1.423 30.473 31.823 0.121 0.000 2.427 958 V HN 0.891 nan 8.190 nan 0.000 0.505 959 N N 5.571 124.301 118.700 0.049 0.000 2.415 959 N HA 0.298 5.040 4.740 0.003 0.000 0.250 959 N C 0.865 176.391 175.510 0.025 0.000 1.127 959 N CA -0.086 52.987 53.050 0.039 0.000 0.945 959 N CB 0.835 39.316 38.487 -0.011 0.000 1.196 959 N HN 0.678 nan 8.380 nan 0.000 0.499 960 I N 2.750 123.348 120.570 0.046 0.000 2.333 960 I HA -0.167 4.005 4.170 0.003 0.000 0.246 960 I C 2.460 178.546 176.117 -0.052 0.000 1.106 960 I CA 0.317 61.613 61.300 -0.008 0.000 1.411 960 I CB -0.153 37.844 38.000 -0.005 0.000 1.082 960 I HN 0.563 nan 8.210 nan 0.000 0.420 961 R N 1.711 122.196 120.500 -0.025 0.000 2.136 961 R HA -0.262 4.080 4.340 0.003 0.000 0.242 961 R C 2.429 178.688 176.300 -0.068 0.000 1.131 961 R CA 2.199 58.277 56.100 -0.037 0.000 0.937 961 R CB -0.277 30.020 30.300 -0.006 0.000 0.863 961 R HN 0.289 nan 8.270 nan 0.000 0.435 962 R N 0.032 120.502 120.500 -0.050 0.000 2.092 962 R HA -0.058 4.284 4.340 0.003 0.000 0.231 962 R C 2.501 178.768 176.300 -0.055 0.000 1.119 962 R CA 1.382 57.448 56.100 -0.057 0.000 0.970 962 R CB -0.470 29.810 30.300 -0.033 0.000 0.864 962 R HN 0.389 nan 8.270 nan 0.000 0.440 963 I N 0.973 121.507 120.570 -0.061 0.000 2.315 963 I HA -0.328 3.844 4.170 0.003 0.000 0.251 963 I C 2.019 178.114 176.117 -0.036 0.000 1.125 963 I CA 1.449 62.705 61.300 -0.074 0.000 1.392 963 I CB 0.067 37.992 38.000 -0.124 0.000 1.065 963 I HN 0.201 nan 8.210 nan 0.000 0.424 964 I N -0.160 120.347 120.570 -0.104 0.000 2.235 964 I HA -0.274 3.898 4.170 0.003 0.000 0.241 964 I C 2.430 178.507 176.117 -0.067 0.000 1.085 964 I CA 0.882 62.102 61.300 -0.134 0.000 1.378 964 I CB -0.402 37.358 38.000 -0.400 0.000 1.076 964 I HN 0.252 nan 8.210 nan 0.000 0.415 965 Q N 0.745 120.471 119.800 -0.123 0.000 2.182 965 Q HA -0.282 4.060 4.340 0.003 0.000 0.213 965 Q C 1.888 177.807 176.000 -0.134 0.000 1.000 965 Q CA 1.847 57.526 55.803 -0.207 0.000 0.889 965 Q CB -0.412 28.108 28.738 -0.362 0.000 0.932 965 Q HN 0.579 nan 8.270 nan 0.000 0.415 966 N N 0.313 119.021 118.700 0.013 0.000 2.080 966 N HA -0.103 4.639 4.740 0.003 0.000 0.189 966 N C 1.820 177.425 175.510 0.159 0.000 1.036 966 N CA 1.238 54.369 53.050 0.135 0.000 0.846 966 N CB -0.523 38.137 38.487 0.287 0.000 1.015 966 N HN 0.241 nan 8.380 nan 0.000 0.423 967 A N 2.370 125.393 122.820 0.339 0.000 1.940 967 A HA -0.259 4.062 4.320 0.003 0.000 0.221 967 A C 2.111 179.758 177.584 0.105 0.000 1.190 967 A CA 1.462 53.638 52.037 0.233 0.000 0.647 967 A CB -0.587 18.606 19.000 0.322 0.000 0.821 967 A HN 0.305 nan 8.150 nan 0.000 0.457 968 Q N -0.451 119.384 119.800 0.059 0.000 1.708 968 Q HA -0.283 4.059 4.340 0.003 0.000 0.378 968 Q C 2.143 178.159 176.000 0.027 0.000 1.010 968 Q CA 2.077 57.904 55.803 0.039 0.000 0.892 968 Q CB -0.867 27.894 28.738 0.038 0.000 0.954 968 Q HN 1.001 nan 8.270 nan 0.000 0.405 969 Q N 0.137 119.950 119.800 0.021 0.000 2.591 969 Q HA -0.037 4.305 4.340 0.003 0.000 0.219 969 Q C 1.032 176.869 176.000 -0.271 0.000 0.981 969 Q CA 1.374 57.143 55.803 -0.056 0.000 0.945 969 Q CB -0.171 28.608 28.738 0.068 0.000 0.985 969 Q HN 0.187 nan 8.270 nan 0.000 0.542 970 T N -0.671 113.755 114.554 -0.213 0.000 3.057 970 T HA 0.145 4.497 4.350 0.003 0.000 0.254 970 T C -0.205 174.065 174.700 -0.717 0.000 1.094 970 T CA 0.319 62.144 62.100 -0.458 0.000 1.088 970 T CB 0.091 68.646 68.868 -0.522 0.000 0.934 970 T HN 0.365 nan 8.240 nan 0.000 0.497 971 F N 0.448 120.160 119.950 -0.396 0.000 2.791 971 F HA 0.337 4.866 4.527 0.003 0.000 0.316 971 F C 0.332 176.049 175.800 -0.137 0.000 1.134 971 F CA -1.143 56.697 58.000 -0.268 0.000 1.222 971 F CB -0.221 38.648 39.000 -0.218 0.000 1.034 971 F HN 0.108 nan 8.300 nan 0.000 0.516 972 H N 0.635 119.730 119.070 0.043 0.000 2.404 972 H HA -0.192 4.366 4.556 0.003 0.000 0.323 972 H C 0.712 176.037 175.328 -0.004 0.000 1.029 972 H CA 0.479 56.535 56.048 0.012 0.000 1.111 972 H CB -1.254 28.503 29.762 -0.007 0.000 1.524 972 H HN 0.322 nan 8.280 nan 0.000 0.394 973 I N 2.896 123.499 120.570 0.054 0.000 2.742 973 I HA -0.111 4.061 4.170 0.003 0.000 0.287 973 I C 0.983 177.003 176.117 -0.162 0.000 1.186 973 I CA 0.509 61.783 61.300 -0.043 0.000 1.417 973 I CB 0.340 38.290 38.000 -0.083 0.000 1.377 973 I HN 0.233 nan 8.210 nan 0.000 0.556 974 D N 6.878 127.211 120.400 -0.111 0.000 2.249 974 D HA 0.045 4.687 4.640 0.003 0.000 0.246 974 D C 0.682 176.904 176.300 -0.131 0.000 1.114 974 D CA -0.407 53.526 54.000 -0.111 0.000 0.854 974 D CB 0.887 41.676 40.800 -0.018 0.000 1.132 974 D HN 0.471 nan 8.370 nan 0.000 0.461 975 H N 1.477 120.573 119.070 0.044 0.000 2.563 975 H HA -0.047 4.511 4.556 0.003 0.000 0.272 975 H C 1.502 176.842 175.328 0.019 0.000 1.005 975 H CA 1.122 57.190 56.048 0.032 0.000 1.171 975 H CB -0.013 29.770 29.762 0.035 0.000 1.351 975 H HN 0.651 nan 8.280 nan 0.000 0.602 976 T N -1.814 112.795 114.554 0.092 0.000 2.837 976 T HA 0.028 4.380 4.350 0.003 0.000 0.242 976 T C 1.154 175.874 174.700 0.033 0.000 1.044 976 T CA -0.179 61.956 62.100 0.058 0.000 1.202 976 T CB 0.450 69.343 68.868 0.043 0.000 0.905 976 T HN 0.041 nan 8.240 nan 0.000 0.413 977 K N 2.737 123.149 120.400 0.019 0.000 2.234 977 K HA 0.268 4.590 4.320 0.003 0.000 0.251 977 K C -2.233 174.370 176.600 0.006 0.000 1.011 977 K CA -1.369 54.923 56.287 0.009 0.000 0.889 977 K CB -0.025 32.478 32.500 0.004 0.000 1.011 977 K HN 0.368 nan 8.250 nan 0.000 0.505 978 P HA 0.043 nan 4.420 nan 0.000 0.281 978 P C -0.455 176.836 177.300 -0.015 0.000 1.264 978 P CA -0.426 62.669 63.100 -0.008 0.000 0.824 978 P CB 1.515 33.208 31.700 -0.012 0.000 1.092 979 S N 0.050 115.736 115.700 -0.024 0.000 2.602 979 S HA 0.153 4.625 4.470 0.003 0.000 0.257 979 S C 0.364 174.940 174.600 -0.040 0.000 1.250 979 S CA 0.178 58.357 58.200 -0.035 0.000 0.986 979 S CB -0.277 62.894 63.200 -0.049 0.000 1.040 979 S HN 0.677 nan 8.310 nan 0.000 0.562 980 D N 0.230 120.598 120.400 -0.053 0.000 2.881 980 D HA 0.153 4.795 4.640 0.003 0.000 0.325 980 D C -0.619 175.638 176.300 -0.072 0.000 1.621 980 D CA -0.207 53.763 54.000 -0.051 0.000 0.785 980 D CB -1.074 39.705 40.800 -0.035 0.000 1.233 980 D HN 0.374 nan 8.370 nan 0.000 0.447 981 L N 1.086 122.246 121.223 -0.104 0.000 2.289 981 L HA 0.424 4.766 4.340 0.003 0.000 0.285 981 L C 0.467 177.261 176.870 -0.126 0.000 1.049 981 L CA -0.507 54.242 54.840 -0.152 0.000 0.804 981 L CB 1.476 43.382 42.059 -0.255 0.000 1.195 981 L HN -0.192 nan 8.230 nan 0.000 0.428 982 T N 2.374 116.862 114.554 -0.110 0.000 2.898 982 T HA 0.210 4.562 4.350 0.003 0.000 0.301 982 T C 1.662 176.300 174.700 -0.104 0.000 1.049 982 T CA -0.371 61.679 62.100 -0.083 0.000 1.095 982 T CB 1.503 70.335 68.868 -0.061 0.000 0.976 982 T HN 0.442 nan 8.240 nan 0.000 0.539 983 I N 0.865 121.387 120.570 -0.080 0.000 2.454 983 I HA -0.152 4.020 4.170 0.003 0.000 0.254 983 I C 2.500 178.574 176.117 -0.072 0.000 1.156 983 I CA 1.245 62.497 61.300 -0.080 0.000 1.433 983 I CB -0.239 37.728 38.000 -0.055 0.000 1.082 983 I HN 0.682 nan 8.210 nan 0.000 0.432 984 K N 0.568 120.934 120.400 -0.057 0.000 2.001 984 K HA -0.177 4.145 4.320 0.003 0.000 0.208 984 K C 1.716 178.285 176.600 -0.051 0.000 1.048 984 K CA 1.376 57.640 56.287 -0.039 0.000 0.932 984 K CB -0.194 32.290 32.500 -0.027 0.000 0.715 984 K HN 0.148 nan 8.250 nan 0.000 0.437 985 D N 1.122 121.478 120.400 -0.073 0.000 2.248 985 D HA -0.243 4.399 4.640 0.003 0.000 0.189 985 D C 1.812 178.036 176.300 -0.126 0.000 1.011 985 D CA 1.397 55.342 54.000 -0.092 0.000 0.868 985 D CB -0.261 40.452 40.800 -0.146 0.000 0.931 985 D HN 0.165 nan 8.370 nan 0.000 0.449 986 I N 0.160 120.588 120.570 -0.237 0.000 2.138 986 I HA -0.243 3.929 4.170 0.003 0.000 0.225 986 I C 2.503 178.622 176.117 0.003 0.000 1.057 986 I CA 0.531 61.670 61.300 -0.268 0.000 1.343 986 I CB -0.569 37.254 38.000 -0.295 0.000 1.118 986 I HN -0.125 nan 8.210 nan 0.000 0.395 987 V N 1.328 121.238 119.914 -0.007 0.000 2.511 987 V HA -0.281 3.841 4.120 0.003 0.000 0.257 987 V C 2.065 178.181 176.094 0.036 0.000 1.088 987 V CA 1.603 63.920 62.300 0.029 0.000 1.098 987 V CB -0.735 31.096 31.823 0.013 0.000 0.674 987 V HN 0.401 nan 8.190 nan 0.000 0.470 988 L N -0.298 120.942 121.223 0.029 0.000 2.592 988 L HA 0.217 4.559 4.340 0.003 0.000 0.227 988 L C 2.057 178.957 176.870 0.050 0.000 1.127 988 L CA 0.744 55.602 54.840 0.029 0.000 0.884 988 L CB -0.153 41.914 42.059 0.014 0.000 1.065 988 L HN 0.445 nan 8.230 nan 0.000 0.457 989 G N -1.308 107.552 108.800 0.100 0.000 2.747 989 G HA2 -0.009 3.953 3.960 0.003 0.000 0.202 989 G HA3 -0.009 3.953 3.960 0.003 0.000 0.202 989 G C 1.359 176.313 174.900 0.090 0.000 1.090 989 G CA 0.129 45.305 45.100 0.125 0.000 0.779 989 G HN 0.044 nan 8.290 nan 0.000 0.535 990 V N 0.946 120.932 119.914 0.121 0.000 2.407 990 V HA -0.127 3.995 4.120 0.003 0.000 0.248 990 V C 2.667 178.759 176.094 -0.003 0.000 1.055 990 V CA 2.216 64.547 62.300 0.052 0.000 1.049 990 V CB -0.274 31.601 31.823 0.087 0.000 0.662 990 V HN 0.294 nan 8.190 nan 0.000 0.455 991 K N -0.253 120.153 120.400 0.010 0.000 1.984 991 K HA -0.171 4.151 4.320 0.003 0.000 0.209 991 K C 1.961 178.548 176.600 -0.022 0.000 1.046 991 K CA 1.558 57.838 56.287 -0.012 0.000 0.934 991 K CB -0.260 32.239 32.500 -0.002 0.000 0.717 991 K HN 0.367 nan 8.250 nan 0.000 0.438 992 D N 0.835 121.230 120.400 -0.008 0.000 2.354 992 D HA -0.147 4.495 4.640 0.003 0.000 0.216 992 D C 1.662 177.940 176.300 -0.037 0.000 0.970 992 D CA 0.565 54.555 54.000 -0.016 0.000 0.905 992 D CB 0.198 40.997 40.800 -0.000 0.000 0.903 992 D HN 0.106 nan 8.370 nan 0.000 0.508 993 L N 0.959 122.152 121.223 -0.050 0.000 2.034 993 L HA -0.106 4.235 4.340 0.003 0.000 0.203 993 L C 2.184 178.990 176.870 -0.107 0.000 1.074 993 L CA 1.534 56.323 54.840 -0.084 0.000 0.748 993 L CB -0.722 41.274 42.059 -0.106 0.000 0.905 993 L HN -0.118 nan 8.230 nan 0.000 0.439 994 Q N -0.395 119.342 119.800 -0.106 0.000 2.217 994 Q HA -0.260 4.082 4.340 0.003 0.000 0.209 994 Q C 1.927 177.861 176.000 -0.110 0.000 0.988 994 Q CA 1.688 57.419 55.803 -0.120 0.000 0.878 994 Q CB -0.314 28.365 28.738 -0.099 0.000 0.909 994 Q HN 0.525 nan 8.270 nan 0.000 0.424 995 E N 0.537 120.689 120.200 -0.080 0.000 2.153 995 E HA -0.103 4.249 4.350 0.003 0.000 0.194 995 E C 1.148 177.706 176.600 -0.070 0.000 0.988 995 E CA 0.790 57.152 56.400 -0.063 0.000 0.811 995 E CB -0.121 29.553 29.700 -0.043 0.000 0.746 995 E HN 0.369 nan 8.360 nan 0.000 0.466 996 N N 0.144 118.791 118.700 -0.088 0.000 2.270 996 N HA 0.054 4.796 4.740 0.003 0.000 0.198 996 N C 0.230 175.662 175.510 -0.130 0.000 1.117 996 N CA 0.035 53.036 53.050 -0.083 0.000 0.845 996 N CB 0.553 39.001 38.487 -0.064 0.000 0.980 996 N HN 0.142 nan 8.380 nan 0.000 0.486 997 L N 1.865 122.947 121.223 -0.236 0.000 2.727 997 L HA 0.231 4.572 4.340 0.003 0.000 0.237 997 L C -0.425 176.308 176.870 -0.227 0.000 1.370 997 L CA -0.289 54.239 54.840 -0.520 0.000 1.248 997 L CB -0.610 40.926 42.059 -0.873 0.000 1.556 997 L HN -0.150 nan 8.230 nan 0.000 0.420 998 L N -0.083 121.137 121.223 -0.006 0.000 2.367 998 L HA 0.122 4.464 4.340 0.003 0.000 0.275 998 L C 1.041 178.030 176.870 0.197 0.000 1.129 998 L CA 0.224 55.115 54.840 0.084 0.000 0.839 998 L CB 1.004 43.088 42.059 0.042 0.000 1.133 998 L HN 0.018 nan 8.230 nan 0.000 0.453 999 V N 2.715 122.728 119.914 0.166 0.000 2.721 999 V HA 0.213 4.335 4.120 0.003 0.000 0.236 999 V C 0.555 176.699 176.094 0.082 0.000 1.116 999 V CA 0.262 62.642 62.300 0.135 0.000 1.148 999 V CB 0.194 32.100 31.823 0.138 0.000 0.886 999 V HN 0.469 nan 8.190 nan 0.000 0.490 1000 L N 0.027 121.295 121.223 0.075 0.000 2.334 1000 L HA 0.467 4.809 4.340 0.003 0.000 0.275 1000 L C 0.926 177.825 176.870 0.048 0.000 1.036 1000 L CA -0.140 54.738 54.840 0.064 0.000 0.807 1000 L CB 1.725 43.822 42.059 0.064 0.000 1.231 1000 L HN 0.072 nan 8.230 nan 0.000 0.438 1001 R N 0.825 121.349 120.500 0.041 0.000 2.404 1001 R HA 0.187 4.529 4.340 0.003 0.000 0.237 1001 R C 0.764 177.077 176.300 0.021 0.000 0.907 1001 R CA -0.089 56.027 56.100 0.027 0.000 1.063 1001 R CB 0.718 31.030 30.300 0.020 0.000 1.134 1001 R HN 0.820 nan 8.270 nan 0.000 0.529 1002 G N 1.547 110.362 108.800 0.025 0.000 2.863 1002 G HA2 -0.278 3.684 3.960 0.003 0.000 0.225 1002 G HA3 -0.278 3.684 3.960 0.003 0.000 0.225 1002 G C 0.215 175.122 174.900 0.011 0.000 1.152 1002 G CA 0.207 45.318 45.100 0.020 0.000 0.857 1002 G HN 0.139 nan 8.290 nan 0.000 0.527 1003 K N 0.224 120.629 120.400 0.009 0.000 2.437 1003 K HA 0.159 4.481 4.320 0.003 0.000 0.205 1003 K C 0.838 177.440 176.600 0.003 0.000 1.026 1003 K CA 0.145 56.435 56.287 0.005 0.000 1.153 1003 K CB -0.109 32.393 32.500 0.004 0.000 0.863 1003 K HN 0.767 nan 8.250 nan 0.000 0.502 1004 N N -2.298 116.404 118.700 0.004 0.000 3.369 1004 N HA 0.148 4.890 4.740 0.003 0.000 0.362 1004 N C 0.640 176.149 175.510 -0.002 0.000 1.523 1004 N CA -0.606 52.445 53.050 0.001 0.000 0.684 1004 N CB 0.418 38.905 38.487 0.001 0.000 1.796 1004 N HN -0.128 nan 8.380 nan 0.000 0.641 1005 E N -0.183 120.014 120.200 -0.004 0.000 2.094 1005 E HA 0.288 4.640 4.350 0.003 0.000 0.193 1005 E C 1.617 178.210 176.600 -0.012 0.000 0.950 1005 E CA 0.416 56.811 56.400 -0.008 0.000 0.842 1005 E CB -0.360 29.335 29.700 -0.009 0.000 0.816 1005 E HN 0.568 nan 8.360 nan 0.000 0.465 1006 I N 1.027 121.588 120.570 -0.016 0.000 2.290 1006 I HA -0.301 3.871 4.170 0.003 0.000 0.253 1006 I C 1.746 177.847 176.117 -0.027 0.000 1.112 1006 I CA 0.866 62.149 61.300 -0.028 0.000 1.377 1006 I CB -0.122 37.858 38.000 -0.033 0.000 1.060 1006 I HN 0.330 nan 8.210 nan 0.000 0.428 1007 I N -0.399 120.164 120.570 -0.011 0.000 2.368 1007 I HA -0.171 4.001 4.170 0.003 0.000 0.238 1007 I C 2.159 178.278 176.117 0.004 0.000 1.076 1007 I CA 1.012 62.312 61.300 0.000 0.000 1.397 1007 I CB -1.174 36.833 38.000 0.013 0.000 1.141 1007 I HN 0.244 nan 8.210 nan 0.000 0.430 1008 Q N 1.005 120.807 119.800 0.003 0.000 2.585 1008 Q HA -0.182 4.160 4.340 0.003 0.000 0.219 1008 Q C 1.429 177.428 176.000 -0.001 0.000 0.984 1008 Q CA 0.721 56.526 55.803 0.003 0.000 0.915 1008 Q CB -0.436 28.302 28.738 0.001 0.000 0.967 1008 Q HN 0.476 nan 8.270 nan 0.000 0.530 1009 N N -0.633 118.064 118.700 -0.005 0.000 2.482 1009 N HA 0.043 4.785 4.740 0.003 0.000 0.179 1009 N C 1.361 176.866 175.510 -0.007 0.000 1.039 1009 N CA 0.809 53.854 53.050 -0.009 0.000 0.884 1009 N CB 0.289 38.766 38.487 -0.016 0.000 1.113 1009 N HN 0.136 nan 8.380 nan 0.000 0.440 1010 A N 1.066 123.881 122.820 -0.007 0.000 1.972 1010 A HA -0.179 4.142 4.320 0.003 0.000 0.219 1010 A C 2.068 179.663 177.584 0.018 0.000 1.169 1010 A CA 1.473 53.509 52.037 -0.001 0.000 0.635 1010 A CB -0.556 18.443 19.000 -0.001 0.000 0.810 1010 A HN 0.371 nan 8.150 nan 0.000 0.446 1011 Q N 0.570 120.382 119.800 0.020 0.000 1.900 1011 Q HA -0.240 4.102 4.340 0.003 0.000 0.219 1011 Q C 2.054 178.068 176.000 0.023 0.000 1.012 1011 Q CA 2.538 58.358 55.803 0.029 0.000 0.876 1011 Q CB -0.554 28.196 28.738 0.020 0.000 0.952 1011 Q HN 0.630 nan 8.270 nan 0.000 0.419 1012 R N 0.365 120.869 120.500 0.006 0.000 2.178 1012 R HA -0.219 4.123 4.340 0.003 0.000 0.257 1012 R C 1.931 178.230 176.300 -0.002 0.000 1.163 1012 R CA 1.605 57.702 56.100 -0.006 0.000 0.981 1012 R CB -0.706 29.585 30.300 -0.015 0.000 0.878 1012 R HN 0.542 nan 8.270 nan 0.000 0.454 1013 D N 0.718 121.124 120.400 0.009 0.000 2.081 1013 D HA -0.131 4.511 4.640 0.003 0.000 0.194 1013 D C 1.882 178.199 176.300 0.029 0.000 0.986 1013 D CA 1.572 55.582 54.000 0.016 0.000 0.837 1013 D CB -0.586 40.225 40.800 0.018 0.000 0.985 1013 D HN 0.248 nan 8.370 nan 0.000 0.448 1014 A N 0.687 123.533 122.820 0.043 0.000 2.204 1014 A HA -0.134 4.188 4.320 0.003 0.000 0.220 1014 A C 2.361 180.000 177.584 0.091 0.000 1.165 1014 A CA 1.304 53.377 52.037 0.059 0.000 0.671 1014 A CB -0.444 18.598 19.000 0.069 0.000 0.792 1014 A HN 0.192 nan 8.150 nan 0.000 0.473 1015 V N -1.517 118.450 119.914 0.087 0.000 2.581 1015 V HA -0.120 4.001 4.120 0.003 0.000 0.240 1015 V C 2.377 178.529 176.094 0.097 0.000 1.054 1015 V CA 1.593 63.973 62.300 0.133 0.000 1.076 1015 V CB -1.340 30.535 31.823 0.085 0.000 0.748 1015 V HN 0.559 nan 8.190 nan 0.000 0.474 1016 T N 1.948 116.501 114.554 -0.002 0.000 2.481 1016 T HA -0.423 3.929 4.350 0.003 0.000 0.229 1016 T C 1.809 176.438 174.700 -0.118 0.000 1.382 1016 T CA 2.631 64.662 62.100 -0.115 0.000 1.082 1016 T CB -0.959 67.799 68.868 -0.183 0.000 0.821 1016 T HN 0.297 nan 8.240 nan 0.000 0.457 1017 L N 0.523 121.720 121.223 -0.043 0.000 2.021 1017 L HA -0.065 4.276 4.340 0.003 0.000 0.215 1017 L C 2.109 179.030 176.870 0.085 0.000 1.074 1017 L CA 1.794 56.644 54.840 0.017 0.000 0.760 1017 L CB -1.278 40.836 42.059 0.093 0.000 0.889 1017 L HN 0.329 nan 8.230 nan 0.000 0.433 1018 F N 0.040 119.989 119.950 -0.002 0.000 2.046 1018 F HA -0.286 4.243 4.527 0.003 0.000 0.297 1018 F C 2.637 178.425 175.800 -0.021 0.000 1.123 1018 F CA 1.832 59.847 58.000 0.025 0.000 1.199 1018 F CB -1.168 37.889 39.000 0.095 0.000 0.972 1018 F HN 0.248 nan 8.300 nan 0.000 0.474 1019 C N 0.249 119.423 119.300 -0.209 0.000 2.385 1019 C HA -0.310 4.152 4.460 0.003 0.000 0.275 1019 C C 3.067 177.889 174.990 -0.280 0.000 1.207 1019 C CA 1.071 59.892 59.018 -0.328 0.000 1.760 1019 C CB -1.955 25.676 27.740 -0.183 0.000 2.051 1019 C HN 0.732 nan 8.230 nan 0.000 0.467 1020 C N 0.474 119.653 119.300 -0.202 0.000 2.376 1020 C HA -0.202 4.260 4.460 0.003 0.000 0.275 1020 C C 2.546 177.459 174.990 -0.127 0.000 1.200 1020 C CA 1.553 60.480 59.018 -0.152 0.000 1.756 1020 C CB -1.764 25.897 27.740 -0.132 0.000 2.050 1020 C HN 0.696 nan 8.230 nan 0.000 0.460 1021 L N 0.603 121.739 121.223 -0.145 0.000 2.012 1021 L HA -0.105 4.237 4.340 0.003 0.000 0.210 1021 L C 2.321 179.068 176.870 -0.204 0.000 1.073 1021 L CA 1.778 56.544 54.840 -0.122 0.000 0.748 1021 L CB -0.981 41.024 42.059 -0.090 0.000 0.891 1021 L HN 0.270 nan 8.230 nan 0.000 0.431 1022 L N 0.185 121.151 121.223 -0.429 0.000 1.956 1022 L HA -0.256 4.086 4.340 0.003 0.000 0.216 1022 L C 2.789 179.551 176.870 -0.180 0.000 1.073 1022 L CA 2.157 56.749 54.840 -0.414 0.000 0.762 1022 L CB -0.707 40.992 42.059 -0.600 0.000 0.889 1022 L HN 0.292 nan 8.230 nan 0.000 0.433 1023 R N -0.993 119.422 120.500 -0.141 0.000 2.170 1023 R HA -0.182 4.159 4.340 0.003 0.000 0.242 1023 R C 2.505 178.833 176.300 0.048 0.000 1.145 1023 R CA 1.320 57.396 56.100 -0.041 0.000 0.984 1023 R CB -0.751 29.523 30.300 -0.044 0.000 0.869 1023 R HN 0.567 nan 8.270 nan 0.000 0.455 1024 S N 0.633 116.363 115.700 0.050 0.000 2.348 1024 S HA -0.120 4.352 4.470 0.003 0.000 0.221 1024 S C 1.829 176.551 174.600 0.204 0.000 1.033 1024 S CA 0.953 59.268 58.200 0.192 0.000 1.010 1024 S CB 0.075 63.343 63.200 0.112 0.000 0.891 1024 S HN 0.191 nan 8.310 nan 0.000 0.442 1025 R N 0.650 121.208 120.500 0.098 0.000 2.240 1025 R HA 0.277 4.619 4.340 0.003 0.000 0.203 1025 R C 0.706 177.103 176.300 0.162 0.000 1.011 1025 R CA 0.347 56.525 56.100 0.129 0.000 1.007 1025 R CB -0.683 29.662 30.300 0.075 0.000 0.911 1025 R HN 0.462 nan 8.270 nan 0.000 0.468 1026 L N 1.154 122.436 121.223 0.098 0.000 3.096 1026 L HA 0.424 4.766 4.340 0.003 0.000 0.247 1026 L C -0.058 176.885 176.870 0.121 0.000 1.321 1026 L CA -0.585 54.342 54.840 0.145 0.000 1.044 1026 L CB 0.727 42.839 42.059 0.087 0.000 1.434 1026 L HN -0.122 nan 8.230 nan 0.000 0.533 1027 A N -0.413 122.438 122.820 0.051 0.000 2.301 1027 A HA 0.462 4.784 4.320 0.003 0.000 0.298 1027 A C 1.345 178.899 177.584 -0.050 0.000 1.185 1027 A CA -0.201 51.835 52.037 -0.001 0.000 0.830 1027 A CB 0.643 19.596 19.000 -0.080 0.000 1.112 1027 A HN 0.390 nan 8.150 nan 0.000 0.508 1028 T N 2.138 116.678 114.554 -0.023 0.000 2.481 1028 T HA -0.278 4.074 4.350 0.003 0.000 0.252 1028 T C 2.172 176.808 174.700 -0.106 0.000 1.242 1028 T CA 2.021 64.088 62.100 -0.055 0.000 1.170 1028 T CB -0.345 68.499 68.868 -0.040 0.000 0.860 1028 T HN 0.686 nan 8.240 nan 0.000 0.422 1029 R N 0.672 121.092 120.500 -0.133 0.000 2.136 1029 R HA -0.139 4.203 4.340 0.003 0.000 0.242 1029 R C 2.648 178.799 176.300 -0.249 0.000 1.131 1029 R CA 1.968 57.960 56.100 -0.179 0.000 0.937 1029 R CB -0.734 29.446 30.300 -0.201 0.000 0.863 1029 R HN 0.419 nan 8.270 nan 0.000 0.435 1030 R N -0.277 120.009 120.500 -0.356 0.000 2.122 1030 R HA -0.162 4.180 4.340 0.003 0.000 0.236 1030 R C 2.280 178.299 176.300 -0.468 0.000 1.129 1030 R CA 2.205 58.008 56.100 -0.495 0.000 0.925 1030 R CB -0.618 29.370 30.300 -0.519 0.000 0.850 1030 R HN 0.094 nan 8.270 nan 0.000 0.431 1031 V N 0.856 120.665 119.914 -0.175 0.000 2.613 1031 V HA -0.263 3.859 4.120 0.003 0.000 0.259 1031 V C 1.859 177.970 176.094 0.028 0.000 1.099 1031 V CA 1.753 64.111 62.300 0.096 0.000 1.115 1031 V CB -0.448 31.477 31.823 0.169 0.000 0.686 1031 V HN 0.319 nan 8.190 nan 0.000 0.481 1032 L N -1.943 119.227 121.223 -0.089 0.000 2.577 1032 L HA 0.168 4.510 4.340 0.003 0.000 0.225 1032 L C 2.214 179.038 176.870 -0.077 0.000 1.053 1032 L CA 0.703 55.504 54.840 -0.065 0.000 0.866 1032 L CB -0.188 41.825 42.059 -0.077 0.000 1.132 1032 L HN 0.148 nan 8.230 nan 0.000 0.486 1033 Q N 0.037 119.754 119.800 -0.140 0.000 2.297 1033 Q HA -0.020 4.322 4.340 0.003 0.000 0.203 1033 Q C 1.684 177.595 176.000 -0.149 0.000 0.931 1033 Q CA 0.759 56.486 55.803 -0.127 0.000 0.885 1033 Q CB 0.566 29.217 28.738 -0.145 0.000 0.991 1033 Q HN 0.469 nan 8.270 nan 0.000 0.498 1034 E N -0.600 119.435 120.200 -0.275 0.000 2.065 1034 E HA -0.027 4.325 4.350 0.003 0.000 0.191 1034 E C -0.489 176.032 176.600 -0.131 0.000 0.960 1034 E CA 0.381 56.600 56.400 -0.301 0.000 0.824 1034 E CB 0.331 29.697 29.700 -0.556 0.000 0.793 1034 E HN 0.298 nan 8.360 nan 0.000 0.459 1035 Y N 0.272 120.591 120.300 0.032 0.000 2.854 1035 Y HA 0.417 4.969 4.550 0.003 0.000 0.330 1035 Y C -0.285 175.649 175.900 0.058 0.000 1.037 1035 Y CA -1.074 57.071 58.100 0.074 0.000 1.263 1035 Y CB 0.279 38.771 38.460 0.054 0.000 1.120 1035 Y HN -0.290 nan 8.280 nan 0.000 0.532 1036 R N 3.466 124.083 120.500 0.196 0.000 4.134 1036 R HA 0.002 4.344 4.340 0.003 0.000 0.157 1036 R C -0.265 176.074 176.300 0.066 0.000 1.876 1036 R CA 0.247 56.406 56.100 0.098 0.000 1.334 1036 R CB -0.851 29.491 30.300 0.070 0.000 1.277 1036 R HN 0.755 nan 8.270 nan 0.000 0.721 1037 L N 0.921 122.209 121.223 0.109 0.000 2.426 1037 L HA 0.064 4.406 4.340 0.003 0.000 0.271 1037 L C 1.646 178.517 176.870 0.001 0.000 1.169 1037 L CA 0.130 55.009 54.840 0.065 0.000 0.836 1037 L CB 0.471 42.634 42.059 0.173 0.000 1.112 1037 L HN 0.334 nan 8.230 nan 0.000 0.465 1038 T N -0.734 113.789 114.554 -0.052 0.000 2.891 1038 T HA 0.157 4.509 4.350 0.003 0.000 0.294 1038 T C 0.920 175.591 174.700 -0.049 0.000 1.065 1038 T CA -0.497 61.566 62.100 -0.063 0.000 0.936 1038 T CB 1.164 69.984 68.868 -0.079 0.000 1.415 1038 T HN 0.648 nan 8.240 nan 0.000 0.572 1039 K N -0.235 120.137 120.400 -0.046 0.000 2.116 1039 K HA -0.018 4.304 4.320 0.003 0.000 0.203 1039 K C 2.470 179.085 176.600 0.026 0.000 1.052 1039 K CA 1.137 57.420 56.287 -0.006 0.000 0.952 1039 K CB -0.334 32.158 32.500 -0.013 0.000 0.729 1039 K HN 0.680 nan 8.250 nan 0.000 0.446 1040 Q N 0.241 120.007 119.800 -0.056 0.000 1.948 1040 Q HA -0.204 4.138 4.340 0.003 0.000 0.205 1040 Q C 2.021 177.843 176.000 -0.298 0.000 0.992 1040 Q CA 2.255 57.985 55.803 -0.122 0.000 0.849 1040 Q CB -0.452 28.206 28.738 -0.135 0.000 0.918 1040 Q HN 0.432 nan 8.270 nan 0.000 0.421 1041 A N 0.388 122.842 122.820 -0.610 0.000 1.881 1041 A HA -0.289 4.033 4.320 0.003 0.000 0.219 1041 A C 1.939 179.477 177.584 -0.075 0.000 1.215 1041 A CA 1.984 53.639 52.037 -0.635 0.000 0.648 1041 A CB -1.434 17.314 19.000 -0.420 0.000 0.832 1041 A HN 0.622 nan 8.150 nan 0.000 0.455 1042 F N 1.020 120.895 119.950 -0.124 0.000 2.025 1042 F HA -0.240 4.289 4.527 0.003 0.000 0.297 1042 F C 2.092 177.895 175.800 0.006 0.000 1.132 1042 F CA 2.495 60.472 58.000 -0.038 0.000 1.191 1042 F CB -0.398 38.580 39.000 -0.037 0.000 0.963 1042 F HN 0.309 nan 8.300 nan 0.000 0.481 1043 D N -1.217 119.315 120.400 0.220 0.000 2.271 1043 D HA -0.255 4.387 4.640 0.003 0.000 0.207 1043 D C 1.724 178.079 176.300 0.092 0.000 0.983 1043 D CA 1.376 55.451 54.000 0.125 0.000 0.878 1043 D CB -0.454 40.434 40.800 0.148 0.000 0.920 1043 D HN 0.511 nan 8.370 nan 0.000 0.479 1044 W N 1.022 122.264 121.300 -0.097 0.000 2.560 1044 W HA -0.092 4.570 4.660 0.003 0.000 0.303 1044 W C 2.228 178.680 176.519 -0.111 0.000 1.151 1044 W CA 0.441 57.750 57.345 -0.059 0.000 1.426 1044 W CB -0.584 28.865 29.460 -0.019 0.000 1.135 1044 W HN -0.312 nan 8.180 nan 0.000 0.522 1045 V N 1.982 121.909 119.914 0.021 0.000 2.363 1045 V HA -0.385 3.737 4.120 0.003 0.000 0.254 1045 V C 2.311 178.194 176.094 -0.352 0.000 1.074 1045 V CA 2.083 64.247 62.300 -0.226 0.000 1.069 1045 V CB -1.156 30.545 31.823 -0.203 0.000 0.659 1045 V HN 0.273 nan 8.190 nan 0.000 0.455 1046 L N -0.432 120.576 121.223 -0.360 0.000 2.005 1046 L HA -0.143 4.199 4.340 0.003 0.000 0.207 1046 L C 2.738 179.467 176.870 -0.235 0.000 1.072 1046 L CA 1.951 56.598 54.840 -0.322 0.000 0.744 1046 L CB -0.964 40.904 42.059 -0.317 0.000 0.895 1046 L HN 0.466 nan 8.230 nan 0.000 0.433 1047 S N 0.413 115.987 115.700 -0.211 0.000 2.369 1047 S HA -0.260 4.212 4.470 0.003 0.000 0.225 1047 S C 1.834 176.291 174.600 -0.237 0.000 1.043 1047 S CA 1.904 59.994 58.200 -0.183 0.000 1.074 1047 S CB -0.350 62.759 63.200 -0.152 0.000 0.962 1047 S HN 0.405 nan 8.310 nan 0.000 0.433 1048 N N 1.145 119.605 118.700 -0.400 0.000 2.021 1048 N HA -0.142 4.600 4.740 0.003 0.000 0.198 1048 N C 1.934 177.311 175.510 -0.221 0.000 1.041 1048 N CA 2.056 54.869 53.050 -0.394 0.000 0.862 1048 N CB -0.618 37.478 38.487 -0.652 0.000 1.048 1048 N HN 0.489 nan 8.380 nan 0.000 0.427 1049 I N 1.385 121.837 120.570 -0.197 0.000 2.087 1049 I HA -0.334 3.838 4.170 0.003 0.000 0.240 1049 I C 2.642 178.753 176.117 -0.009 0.000 1.054 1049 I CA 1.579 62.838 61.300 -0.067 0.000 1.311 1049 I CB -0.615 37.350 38.000 -0.057 0.000 1.024 1049 I HN 0.341 nan 8.210 nan 0.000 0.402 1050 E N 1.532 121.695 120.200 -0.061 0.000 2.049 1050 E HA -0.283 4.069 4.350 0.003 0.000 0.198 1050 E C 2.159 178.771 176.600 0.020 0.000 1.007 1050 E CA 1.995 58.371 56.400 -0.041 0.000 0.809 1050 E CB -0.175 29.481 29.700 -0.074 0.000 0.749 1050 E HN 0.475 nan 8.360 nan 0.000 0.450 1051 A N 0.296 123.098 122.820 -0.029 0.000 1.929 1051 A HA -0.154 4.168 4.320 0.003 0.000 0.216 1051 A C 2.154 179.720 177.584 -0.029 0.000 1.176 1051 A CA 1.432 53.452 52.037 -0.027 0.000 0.628 1051 A CB -0.496 18.469 19.000 -0.057 0.000 0.816 1051 A HN 0.415 nan 8.150 nan 0.000 0.444 1052 Q N -2.070 117.706 119.800 -0.039 0.000 2.364 1052 Q HA -0.096 4.245 4.340 0.003 0.000 0.207 1052 Q C 1.590 177.561 176.000 -0.048 0.000 0.970 1052 Q CA 1.256 57.028 55.803 -0.051 0.000 0.888 1052 Q CB -0.161 28.543 28.738 -0.056 0.000 0.951 1052 Q HN 0.797 nan 8.270 nan 0.000 0.469 1053 F N -0.126 119.728 119.950 -0.160 0.000 2.123 1053 F HA -0.029 4.500 4.527 0.003 0.000 0.289 1053 F C 1.441 177.117 175.800 -0.206 0.000 1.099 1053 F CA 0.696 58.567 58.000 -0.214 0.000 1.234 1053 F CB -0.008 38.871 39.000 -0.201 0.000 1.034 1053 F HN -0.073 nan 8.300 nan 0.000 0.479 1054 L N 0.724 122.039 121.223 0.154 0.000 2.556 1054 L HA -0.183 4.159 4.340 0.003 0.000 0.230 1054 L C 2.128 178.888 176.870 -0.184 0.000 1.163 1054 L CA 0.854 55.701 54.840 0.012 0.000 0.819 1054 L CB -0.547 41.541 42.059 0.049 0.000 0.939 1054 L HN 0.231 nan 8.230 nan 0.000 0.452 1055 R N -1.595 118.751 120.500 -0.258 0.000 2.175 1055 R HA 0.077 4.419 4.340 0.003 0.000 0.202 1055 R C 2.200 178.104 176.300 -0.661 0.000 1.018 1055 R CA 0.632 56.518 56.100 -0.356 0.000 1.029 1055 R CB 0.028 30.165 30.300 -0.273 0.000 0.959 1055 R HN 0.181 nan 8.270 nan 0.000 0.480 1056 S N 1.010 116.311 115.700 -0.666 0.000 2.515 1056 S HA 0.024 4.496 4.470 0.003 0.000 0.231 1056 S C 1.082 175.399 174.600 -0.472 0.000 0.987 1056 S CA 0.116 57.917 58.200 -0.665 0.000 0.936 1056 S CB -0.042 62.878 63.200 -0.466 0.000 0.766 1056 S HN -0.024 nan 8.310 nan 0.000 0.528 1057 V N 1.831 121.445 119.914 -0.499 0.000 3.672 1057 V HA 0.016 4.138 4.120 0.003 0.000 0.301 1057 V C 0.625 176.609 176.094 -0.183 0.000 1.123 1057 V CA -0.114 61.981 62.300 -0.342 0.000 1.210 1057 V CB 0.197 31.846 31.823 -0.289 0.000 1.089 1057 V HN 0.090 nan 8.190 nan 0.000 0.491 1058 V N 1.152 121.024 119.914 -0.071 0.000 2.472 1058 V HA 0.272 4.393 4.120 0.003 0.000 0.290 1058 V C 0.123 176.215 176.094 -0.003 0.000 1.037 1058 V CA -0.645 61.680 62.300 0.041 0.000 0.908 1058 V CB 1.115 33.034 31.823 0.160 0.000 0.985 1058 V HN 0.771 nan 8.190 nan 0.000 0.454 1059 H N 4.755 123.824 119.070 -0.002 0.000 2.878 1059 H HA 0.171 4.729 4.556 0.003 0.000 0.290 1059 H C -2.281 173.015 175.328 -0.053 0.000 1.065 1059 H CA -1.547 54.498 56.048 -0.005 0.000 1.477 1059 H CB 1.194 30.958 29.762 0.003 0.000 1.484 1059 H HN 0.394 nan 8.280 nan 0.000 0.504 1060 P HA 0.028 nan 4.420 nan 0.000 0.263 1060 P C 0.789 177.934 177.300 -0.259 0.000 1.247 1060 P CA 0.710 63.713 63.100 -0.162 0.000 0.876 1060 P CB 0.493 32.067 31.700 -0.211 0.000 0.928 1061 G N 2.451 111.120 108.800 -0.219 0.000 3.859 1061 G HA2 -0.109 3.853 3.960 0.003 0.000 0.198 1061 G HA3 -0.109 3.853 3.960 0.003 0.000 0.198 1061 G C -0.122 174.674 174.900 -0.174 0.000 0.972 1061 G CA -0.417 44.574 45.100 -0.181 0.000 0.882 1061 G HN 0.371 nan 8.290 nan 0.000 0.364 1062 E N 1.819 121.933 120.200 -0.145 0.000 2.765 1062 E HA 0.026 4.378 4.350 0.003 0.000 0.256 1062 E C 0.280 176.753 176.600 -0.212 0.000 0.935 1062 E CA 0.529 56.830 56.400 -0.165 0.000 0.954 1062 E CB 0.329 29.922 29.700 -0.178 0.000 0.908 1062 E HN 0.188 nan 8.360 nan 0.000 0.500 1063 M N 4.219 123.712 119.600 -0.178 0.000 3.690 1063 M HA 0.018 4.500 4.480 0.003 0.000 0.209 1063 M C 1.132 177.330 176.300 -0.171 0.000 1.403 1063 M CA -0.200 54.996 55.300 -0.172 0.000 1.621 1063 M CB -0.513 32.005 32.600 -0.138 0.000 1.056 1063 M HN 0.246 nan 8.290 nan 0.000 0.593 1064 V N 0.649 120.425 119.914 -0.230 0.000 2.439 1064 V HA -0.282 3.840 4.120 0.003 0.000 0.253 1064 V C 2.363 178.392 176.094 -0.109 0.000 1.074 1064 V CA 2.392 64.553 62.300 -0.231 0.000 1.076 1064 V CB -1.402 30.151 31.823 -0.451 0.000 0.664 1064 V HN 0.772 nan 8.190 nan 0.000 0.461 1065 G N 0.014 108.750 108.800 -0.106 0.000 2.545 1065 G HA2 -0.245 3.717 3.960 0.003 0.000 0.217 1065 G HA3 -0.245 3.717 3.960 0.003 0.000 0.217 1065 G C 1.648 176.490 174.900 -0.097 0.000 1.218 1065 G CA 1.354 46.404 45.100 -0.083 0.000 0.787 1065 G HN 0.376 nan 8.290 nan 0.000 0.571 1066 V N 1.055 120.902 119.914 -0.111 0.000 2.252 1066 V HA -0.190 3.932 4.120 0.003 0.000 0.249 1066 V C 2.693 178.715 176.094 -0.121 0.000 1.056 1066 V CA 1.702 63.932 62.300 -0.116 0.000 1.022 1066 V CB -0.713 31.046 31.823 -0.107 0.000 0.641 1066 V HN 0.329 nan 8.190 nan 0.000 0.445 1067 L N 0.839 121.992 121.223 -0.117 0.000 1.957 1067 L HA -0.283 4.059 4.340 0.003 0.000 0.228 1067 L C 2.601 179.343 176.870 -0.213 0.000 1.086 1067 L CA 2.945 57.700 54.840 -0.142 0.000 0.796 1067 L CB -1.772 40.224 42.059 -0.104 0.000 0.900 1067 L HN 0.338 nan 8.230 nan 0.000 0.439 1068 A N -0.566 122.169 122.820 -0.141 0.000 1.909 1068 A HA -0.315 4.007 4.320 0.003 0.000 0.221 1068 A C 2.442 179.940 177.584 -0.144 0.000 1.223 1068 A CA 3.445 55.414 52.037 -0.112 0.000 0.658 1068 A CB -1.402 17.662 19.000 0.107 0.000 0.831 1068 A HN 0.759 nan 8.150 nan 0.000 0.462 1069 A N -0.994 121.752 122.820 -0.123 0.000 1.852 1069 A HA -0.312 4.010 4.320 0.003 0.000 0.217 1069 A C 2.119 179.612 177.584 -0.150 0.000 1.215 1069 A CA 2.123 54.079 52.037 -0.135 0.000 0.641 1069 A CB -0.987 17.922 19.000 -0.152 0.000 0.838 1069 A HN 0.697 nan 8.150 nan 0.000 0.450 1070 Q N -0.419 119.286 119.800 -0.159 0.000 2.029 1070 Q HA -0.202 4.140 4.340 0.003 0.000 0.209 1070 Q C 2.410 178.300 176.000 -0.184 0.000 0.999 1070 Q CA 2.003 57.707 55.803 -0.165 0.000 0.857 1070 Q CB -0.493 28.162 28.738 -0.138 0.000 0.926 1070 Q HN 0.662 nan 8.270 nan 0.000 0.415 1071 S N 0.591 116.155 115.700 -0.227 0.000 2.421 1071 S HA -0.202 4.270 4.470 0.003 0.000 0.239 1071 S C 1.859 176.372 174.600 -0.146 0.000 1.054 1071 S CA 1.351 59.406 58.200 -0.241 0.000 1.035 1071 S CB -0.275 62.587 63.200 -0.562 0.000 0.840 1071 S HN 0.298 nan 8.310 nan 0.000 0.475 1072 I N 0.296 120.790 120.570 -0.127 0.000 2.499 1072 I HA 0.062 4.234 4.170 0.003 0.000 0.243 1072 I C 2.792 178.848 176.117 -0.101 0.000 1.085 1072 I CA 0.793 62.041 61.300 -0.086 0.000 1.422 1072 I CB -1.043 36.918 38.000 -0.064 0.000 1.165 1072 I HN 0.352 nan 8.210 nan 0.000 0.440 1073 G N 0.742 109.472 108.800 -0.116 0.000 2.442 1073 G HA2 -0.275 3.687 3.960 0.003 0.000 0.219 1073 G HA3 -0.275 3.687 3.960 0.003 0.000 0.219 1073 G C 1.517 176.338 174.900 -0.132 0.000 1.141 1073 G CA 0.645 45.675 45.100 -0.116 0.000 0.763 1073 G HN 0.278 nan 8.290 nan 0.000 0.554 1074 E N 1.084 121.178 120.200 -0.175 0.000 2.007 1074 E HA -0.128 4.224 4.350 0.003 0.000 0.203 1074 E C 0.113 176.615 176.600 -0.165 0.000 1.020 1074 E CA 1.687 57.944 56.400 -0.238 0.000 0.845 1074 E CB -1.031 28.441 29.700 -0.380 0.000 0.779 1074 E HN 0.354 nan 8.360 nan 0.000 0.466 1075 P HA -0.081 nan 4.420 nan 0.000 0.229 1075 P C 0.449 177.706 177.300 -0.072 0.000 1.150 1075 P CA 1.259 64.311 63.100 -0.080 0.000 0.765 1075 P CB -0.108 31.557 31.700 -0.059 0.000 0.783 1076 A N -0.836 121.936 122.820 -0.080 0.000 2.251 1076 A HA 0.105 4.426 4.320 0.003 0.000 0.209 1076 A C 1.876 179.426 177.584 -0.057 0.000 1.187 1076 A CA 0.898 52.896 52.037 -0.065 0.000 0.823 1076 A CB -0.800 18.160 19.000 -0.066 0.000 0.846 1076 A HN 0.146 nan 8.150 nan 0.000 0.486 1077 T N -0.821 113.693 114.554 -0.067 0.000 3.000 1077 T HA 0.006 4.358 4.350 0.003 0.000 0.248 1077 T C 1.603 176.275 174.700 -0.047 0.000 1.034 1077 T CA 0.374 62.440 62.100 -0.057 0.000 1.060 1077 T CB 0.049 68.875 68.868 -0.070 0.000 0.983 1077 T HN 0.381 nan 8.240 nan 0.000 0.482 1078 Q N 0.818 120.588 119.800 -0.050 0.000 2.482 1078 Q HA 0.231 4.573 4.340 0.003 0.000 0.209 1078 Q C 0.432 176.413 176.000 -0.032 0.000 0.961 1078 Q CA 0.264 56.044 55.803 -0.037 0.000 0.945 1078 Q CB -0.321 28.396 28.738 -0.034 0.000 1.012 1078 Q HN 0.538 nan 8.270 nan 0.000 0.515 1079 M N 1.706 121.285 119.600 -0.035 0.000 2.538 1079 M HA 0.051 4.533 4.480 0.003 0.000 0.327 1079 M C -0.375 175.909 176.300 -0.027 0.000 1.545 1079 M CA 0.558 55.839 55.300 -0.031 0.000 1.380 1079 M CB 0.062 32.641 32.600 -0.035 0.000 1.657 1079 M HN -0.239 nan 8.290 nan 0.000 0.459 1080 T N 5.519 120.059 114.554 -0.024 0.000 2.929 1080 T HA 0.605 4.957 4.350 0.003 0.000 0.331 1080 T C -0.030 174.658 174.700 -0.020 0.000 1.120 1080 T CA -0.291 61.796 62.100 -0.022 0.000 0.973 1080 T CB 0.446 69.302 68.868 -0.021 0.000 1.036 1080 T HN 0.501 nan 8.240 nan 0.000 0.502 1093 K N 2.100 122.506 120.400 0.011 0.000 2.679 1093 K HA 0.397 4.719 4.320 0.003 0.000 0.188 1093 K C -1.072 175.534 176.600 0.009 0.000 1.055 1093 K CA -0.288 56.002 56.287 0.006 0.000 1.006 1093 K CB 1.839 34.340 32.500 0.002 0.000 1.317 1093 K HN -0.173 nan 8.250 nan 0.000 0.584 1094 V N 0.143 120.062 119.914 0.009 0.000 3.188 1094 V HA 0.259 4.380 4.120 0.003 0.000 0.305 1094 V C -0.106 175.992 176.094 0.007 0.000 1.232 1094 V CA -1.119 61.188 62.300 0.012 0.000 1.043 1094 V CB 2.406 34.241 31.823 0.020 0.000 1.068 1094 V HN 0.514 nan 8.190 nan 0.000 0.439 1095 T N 3.010 117.569 114.554 0.008 0.000 2.792 1095 T HA 0.346 4.698 4.350 0.003 0.000 0.286 1095 T C 0.063 174.763 174.700 -0.000 0.000 0.970 1095 T CA 0.244 62.347 62.100 0.005 0.000 1.187 1095 T CB -0.153 68.722 68.868 0.012 0.000 0.915 1095 T HN 0.953 nan 8.240 nan 0.000 0.529 1096 S N 1.930 117.627 115.700 -0.006 0.000 2.619 1096 S HA 0.849 5.321 4.470 0.003 0.000 0.280 1096 S C 0.113 174.701 174.600 -0.020 0.000 1.150 1096 S CA -0.228 57.963 58.200 -0.015 0.000 0.978 1096 S CB 2.027 65.219 63.200 -0.015 0.000 1.041 1096 S HN 1.409 nan 8.310 nan 0.000 0.485 1097 G N 1.529 110.312 108.800 -0.028 0.000 2.384 1097 G HA2 -0.095 3.867 3.960 0.003 0.000 0.200 1097 G HA3 -0.095 3.867 3.960 0.003 0.000 0.200 1097 G C 0.336 175.221 174.900 -0.025 0.000 1.205 1097 G CA -0.210 44.872 45.100 -0.031 0.000 1.116 1097 G HN 1.404 nan 8.290 nan 0.000 0.547 1098 V N 3.286 123.188 119.914 -0.020 0.000 2.252 1098 V HA -0.119 4.003 4.120 0.003 0.000 0.249 1098 V C 0.837 176.933 176.094 0.002 0.000 1.056 1098 V CA 3.346 65.639 62.300 -0.011 0.000 1.022 1098 V CB -1.456 30.362 31.823 -0.009 0.000 0.641 1098 V HN 0.746 nan 8.190 nan 0.000 0.445 1099 P HA -0.215 nan 4.420 nan 0.000 0.218 1099 P C 1.511 178.824 177.300 0.021 0.000 1.148 1099 P CA 1.617 64.727 63.100 0.016 0.000 0.822 1099 P CB -0.031 31.675 31.700 0.010 0.000 0.784 1100 R N 0.708 121.213 120.500 0.009 0.000 2.061 1100 R HA -0.087 4.255 4.340 0.003 0.000 0.230 1100 R C 2.327 178.633 176.300 0.009 0.000 1.140 1100 R CA 1.180 57.285 56.100 0.007 0.000 0.940 1100 R CB -1.950 28.343 30.300 -0.011 0.000 0.839 1100 R HN 0.080 nan 8.270 nan 0.000 0.429 1101 L N 1.429 122.648 121.223 -0.006 0.000 2.129 1101 L HA -0.153 4.189 4.340 0.003 0.000 0.212 1101 L C 2.103 178.987 176.870 0.023 0.000 1.087 1101 L CA 2.084 56.919 54.840 -0.009 0.000 0.757 1101 L CB -0.752 41.293 42.059 -0.023 0.000 0.896 1101 L HN 0.362 nan 8.230 nan 0.000 0.434 1102 K N -0.445 119.978 120.400 0.038 0.000 2.002 1102 K HA -0.248 4.074 4.320 0.003 0.000 0.209 1102 K C 2.096 178.748 176.600 0.087 0.000 1.048 1102 K CA 1.779 58.107 56.287 0.069 0.000 0.930 1102 K CB -0.213 32.331 32.500 0.075 0.000 0.714 1102 K HN 0.478 nan 8.250 nan 0.000 0.438 1103 E N 0.646 120.894 120.200 0.080 0.000 2.048 1103 E HA -0.242 4.109 4.350 0.003 0.000 0.202 1103 E C 2.032 178.722 176.600 0.151 0.000 1.021 1103 E CA 2.227 58.689 56.400 0.103 0.000 0.825 1103 E CB -0.161 29.591 29.700 0.086 0.000 0.756 1103 E HN 0.318 nan 8.360 nan 0.000 0.454 1104 I N 0.597 121.248 120.570 0.137 0.000 2.068 1104 I HA -0.368 3.804 4.170 0.003 0.000 0.238 1104 I C 2.501 178.760 176.117 0.236 0.000 1.046 1104 I CA 1.344 62.766 61.300 0.203 0.000 1.306 1104 I CB -0.499 37.515 38.000 0.024 0.000 1.023 1104 I HN 0.226 nan 8.210 nan 0.000 0.399 1105 L N 0.540 121.846 121.223 0.138 0.000 2.127 1105 L HA -0.232 4.110 4.340 0.003 0.000 0.211 1105 L C 2.062 179.022 176.870 0.150 0.000 1.089 1105 L CA 1.211 56.127 54.840 0.127 0.000 0.757 1105 L CB -0.735 41.367 42.059 0.071 0.000 0.899 1105 L HN 0.386 nan 8.230 nan 0.000 0.434 1106 N N -0.389 118.401 118.700 0.151 0.000 2.494 1106 N HA -0.030 4.712 4.740 0.003 0.000 0.182 1106 N C 0.566 176.152 175.510 0.126 0.000 1.076 1106 N CA 0.384 53.523 53.050 0.148 0.000 0.908 1106 N CB 0.419 38.990 38.487 0.140 0.000 0.967 1106 N HN 0.014 nan 8.380 nan 0.000 0.449 1107 V N 0.577 120.576 119.914 0.142 0.000 6.078 1107 V HA -0.269 3.853 4.120 0.003 0.000 0.301 1107 V C 0.433 176.539 176.094 0.020 0.000 0.571 1107 V CA 0.448 62.777 62.300 0.050 0.000 0.625 1107 V CB -2.435 29.389 31.823 0.002 0.000 0.271 1107 V HN 0.413 nan 8.190 nan 0.000 0.788 1108 A N 1.275 124.140 122.820 0.074 0.000 2.354 1108 A HA 0.665 4.987 4.320 0.003 0.000 0.269 1108 A C 0.965 178.562 177.584 0.021 0.000 1.109 1108 A CA 0.358 52.427 52.037 0.053 0.000 0.800 1108 A CB 0.985 20.032 19.000 0.079 0.000 1.045 1108 A HN 0.602 nan 8.150 nan 0.000 0.489 1109 K N 1.631 122.031 120.400 -0.000 0.000 2.137 1109 K HA -0.020 4.302 4.320 0.003 0.000 0.202 1109 K C 0.187 176.790 176.600 0.006 0.000 1.052 1109 K CA 1.526 57.804 56.287 -0.015 0.000 0.961 1109 K CB 0.098 32.582 32.500 -0.026 0.000 0.741 1109 K HN 0.771 nan 8.250 nan 0.000 0.452 1110 N N 3.052 121.761 118.700 0.015 0.000 3.234 1110 N HA 0.096 4.838 4.740 0.003 0.000 0.272 1110 N C -0.453 175.076 175.510 0.031 0.000 1.254 1110 N CA -0.134 52.927 53.050 0.018 0.000 1.087 1110 N CB 0.211 38.705 38.487 0.011 0.000 1.356 1110 N HN 0.214 nan 8.380 nan 0.000 0.511 1111 M N -0.714 118.912 119.600 0.043 0.000 2.228 1111 M HA 0.212 4.694 4.480 0.003 0.000 0.351 1111 M C 1.003 177.323 176.300 0.033 0.000 1.233 1111 M CA -0.210 55.121 55.300 0.052 0.000 1.129 1111 M CB 1.211 33.857 32.600 0.077 0.000 1.604 1111 M HN 0.032 nan 8.290 nan 0.000 0.457 1112 K N 1.022 121.440 120.400 0.029 0.000 2.020 1112 K HA -0.074 4.248 4.320 0.003 0.000 0.212 1112 K C 0.282 176.892 176.600 0.016 0.000 1.050 1112 K CA 1.542 57.840 56.287 0.019 0.000 0.929 1112 K CB -0.212 32.297 32.500 0.016 0.000 0.714 1112 K HN 0.739 nan 8.250 nan 0.000 0.443 1113 T N 1.791 116.357 114.554 0.020 0.000 2.758 1113 T HA 0.163 4.515 4.350 0.003 0.000 0.285 1113 T C -2.006 172.706 174.700 0.021 0.000 0.981 1113 T CA -1.396 60.715 62.100 0.017 0.000 0.965 1113 T CB 2.040 70.918 68.868 0.017 0.000 0.927 1113 T HN 0.095 nan 8.240 nan 0.000 0.448 1114 P HA 0.146 nan 4.420 nan 0.000 0.242 1114 P C 0.774 178.075 177.300 0.002 0.000 1.176 1114 P CA 0.094 63.202 63.100 0.012 0.000 0.859 1114 P CB 0.383 32.087 31.700 0.007 0.000 1.010 1115 S N 0.280 115.983 115.700 0.005 0.000 2.509 1115 S HA -0.084 4.388 4.470 0.003 0.000 0.588 1115 S C -0.182 174.410 174.600 -0.012 0.000 3.389 1115 S CA 1.312 59.515 58.200 0.006 0.000 3.588 1115 S CB -0.761 62.452 63.200 0.022 0.000 0.347 1115 S HN 0.507 nan 8.310 nan 0.000 1.726 1116 L N -1.157 120.063 121.223 -0.004 0.000 4.768 1116 L HA 0.475 4.817 4.340 0.003 0.000 0.254 1116 L C -0.754 176.121 176.870 0.008 0.000 1.073 1116 L CA -0.084 54.744 54.840 -0.020 0.000 1.079 1116 L CB 0.471 42.513 42.059 -0.029 0.000 1.842 1116 L HN 0.523 nan 8.230 nan 0.000 0.495 1117 T N 3.917 118.494 114.554 0.037 0.000 2.767 1117 T HA 0.752 5.104 4.350 0.003 0.000 0.284 1117 T C -0.109 174.555 174.700 -0.060 0.000 0.973 1117 T CA -0.030 62.056 62.100 -0.023 0.000 0.996 1117 T CB 1.385 70.256 68.868 0.005 0.000 0.927 1117 T HN 1.155 nan 8.240 nan 0.000 0.456 1118 V N 1.708 121.547 119.914 -0.126 0.000 2.448 1118 V HA 0.683 4.805 4.120 0.003 0.000 0.295 1118 V C -1.321 174.706 176.094 -0.111 0.000 1.025 1118 V CA -1.204 61.078 62.300 -0.030 0.000 0.859 1118 V CB 0.501 32.338 31.823 0.023 0.000 0.988 1118 V HN 0.720 nan 8.190 nan 0.000 0.431 1119 Y N 3.483 123.838 120.300 0.091 0.000 2.376 1119 Y HA 0.713 5.265 4.550 0.003 0.000 0.325 1119 Y C 0.572 176.519 175.900 0.079 0.000 1.199 1119 Y CA -0.908 57.243 58.100 0.085 0.000 1.206 1119 Y CB 1.059 39.576 38.460 0.094 0.000 1.229 1119 Y HN 0.533 nan 8.280 nan 0.000 0.480 1120 L N 0.592 121.959 121.223 0.239 0.000 2.347 1120 L HA 0.041 4.383 4.340 0.003 0.000 0.172 1120 L C 0.474 177.448 176.870 0.175 0.000 1.009 1120 L CA 0.200 55.148 54.840 0.179 0.000 0.974 1120 L CB -0.132 42.036 42.059 0.182 0.000 1.427 1120 L HN 0.633 nan 8.230 nan 0.000 0.507 1121 E N -0.905 119.404 120.200 0.181 0.000 2.214 1121 E HA 0.233 4.585 4.350 0.003 0.000 0.274 1121 E C -1.837 174.824 176.600 0.101 0.000 0.977 1121 E CA -1.693 54.805 56.400 0.162 0.000 0.827 1121 E CB 1.410 31.255 29.700 0.242 0.000 1.130 1121 E HN 0.213 nan 8.360 nan 0.000 0.394 1122 P HA -0.325 nan 4.420 nan 0.000 0.227 1122 P C 0.967 178.222 177.300 -0.074 0.000 0.791 1122 P CA 2.309 65.394 63.100 -0.025 0.000 1.075 1122 P CB -0.075 31.598 31.700 -0.044 0.000 0.728 1123 G N -1.274 107.405 108.800 -0.201 0.000 2.418 1123 G HA2 -0.197 3.765 3.960 0.003 0.000 0.217 1123 G HA3 -0.197 3.765 3.960 0.003 0.000 0.217 1123 G C 0.356 175.131 174.900 -0.210 0.000 1.158 1123 G CA 0.675 45.623 45.100 -0.254 0.000 0.771 1123 G HN 0.461 nan 8.290 nan 0.000 0.545 1124 H N 0.953 120.047 119.070 0.040 0.000 3.160 1124 H HA 0.482 5.040 4.556 0.003 0.000 0.257 1124 H C 0.776 176.149 175.328 0.076 0.000 1.140 1124 H CA 0.384 56.461 56.048 0.048 0.000 1.492 1124 H CB 0.610 30.394 29.762 0.037 0.000 1.529 1124 H HN 0.290 nan 8.280 nan 0.000 0.490 1125 A N 3.039 125.964 122.820 0.175 0.000 1.761 1125 A HA 0.388 4.710 4.320 0.003 0.000 0.168 1125 A C 1.949 179.690 177.584 0.260 0.000 1.884 1125 A CA 0.419 52.571 52.037 0.191 0.000 1.217 1125 A CB -0.714 18.367 19.000 0.134 0.000 0.934 1125 A HN 0.532 nan 8.150 nan 0.000 0.682 1126 A N 0.136 123.087 122.820 0.218 0.000 2.234 1126 A HA -0.025 4.297 4.320 0.003 0.000 0.216 1126 A C 0.499 178.234 177.584 0.252 0.000 1.167 1126 A CA 1.078 53.280 52.037 0.275 0.000 0.698 1126 A CB -0.695 18.407 19.000 0.170 0.000 0.779 1126 A HN 0.409 nan 8.150 nan 0.000 0.475 1127 D N 0.358 120.856 120.400 0.163 0.000 2.482 1127 D HA 0.073 4.715 4.640 0.003 0.000 0.244 1127 D C 1.456 177.695 176.300 -0.102 0.000 1.242 1127 D CA 0.244 54.276 54.000 0.052 0.000 1.097 1127 D CB 0.487 41.328 40.800 0.067 0.000 1.109 1127 D HN 0.528 nan 8.370 nan 0.000 0.510 1128 Q N 2.590 122.268 119.800 -0.204 0.000 2.065 1128 Q HA -0.290 4.052 4.340 0.003 0.000 0.213 1128 Q C 1.638 177.341 176.000 -0.494 0.000 1.012 1128 Q CA 2.220 57.671 55.803 -0.587 0.000 0.876 1128 Q CB -0.128 28.397 28.738 -0.355 0.000 0.954 1128 Q HN 0.580 nan 8.270 nan 0.000 0.413 1129 E N -1.008 119.028 120.200 -0.272 0.000 2.051 1129 E HA -0.295 4.057 4.350 0.003 0.000 0.192 1129 E C 2.020 178.508 176.600 -0.186 0.000 0.991 1129 E CA 1.193 57.466 56.400 -0.212 0.000 0.799 1129 E CB -0.245 29.373 29.700 -0.137 0.000 0.748 1129 E HN 0.483 nan 8.360 nan 0.000 0.449 1130 Q N 0.785 120.498 119.800 -0.145 0.000 2.268 1130 Q HA -0.274 4.068 4.340 0.003 0.000 0.213 1130 Q C 1.638 177.569 176.000 -0.114 0.000 0.995 1130 Q CA 2.183 57.918 55.803 -0.114 0.000 0.901 1130 Q CB -0.551 28.150 28.738 -0.061 0.000 0.921 1130 Q HN 0.376 nan 8.270 nan 0.000 0.421 1131 A N 0.385 123.107 122.820 -0.162 0.000 1.835 1131 A HA -0.237 4.085 4.320 0.003 0.000 0.215 1131 A C 1.953 179.457 177.584 -0.133 0.000 1.199 1131 A CA 1.841 53.793 52.037 -0.141 0.000 0.615 1131 A CB -0.643 18.211 19.000 -0.244 0.000 0.838 1131 A HN 0.461 nan 8.150 nan 0.000 0.444 1132 K N -0.406 119.886 120.400 -0.180 0.000 2.030 1132 K HA -0.239 4.083 4.320 0.003 0.000 0.222 1132 K C 1.789 178.323 176.600 -0.111 0.000 1.056 1132 K CA 1.954 58.151 56.287 -0.151 0.000 0.957 1132 K CB -0.810 31.592 32.500 -0.164 0.000 0.727 1132 K HN 0.448 nan 8.250 nan 0.000 0.452 1133 L N 0.684 121.843 121.223 -0.107 0.000 2.230 1133 L HA -0.269 4.073 4.340 0.003 0.000 0.217 1133 L C 2.189 179.018 176.870 -0.068 0.000 1.090 1133 L CA 1.276 56.065 54.840 -0.086 0.000 0.771 1133 L CB -0.589 41.416 42.059 -0.090 0.000 0.892 1133 L HN 0.311 nan 8.230 nan 0.000 0.438 1134 I N -2.102 118.430 120.570 -0.063 0.000 2.927 1134 I HA -0.092 4.080 4.170 0.003 0.000 0.268 1134 I C 2.629 178.728 176.117 -0.031 0.000 1.153 1134 I CA 0.172 61.449 61.300 -0.039 0.000 1.459 1134 I CB -0.405 37.579 38.000 -0.025 0.000 1.149 1134 I HN 0.140 nan 8.210 nan 0.000 0.443 1135 R N 2.304 122.779 120.500 -0.043 0.000 2.122 1135 R HA -0.229 4.113 4.340 0.003 0.000 0.236 1135 R C 2.086 178.372 176.300 -0.024 0.000 1.129 1135 R CA 2.661 58.742 56.100 -0.031 0.000 0.925 1135 R CB -0.581 29.683 30.300 -0.060 0.000 0.850 1135 R HN 0.442 nan 8.270 nan 0.000 0.431 1136 S N -0.722 114.949 115.700 -0.048 0.000 2.805 1136 S HA 0.111 4.583 4.470 0.003 0.000 0.230 1136 S C 1.217 175.799 174.600 -0.030 0.000 0.968 1136 S CA 0.482 58.657 58.200 -0.043 0.000 0.976 1136 S CB 0.462 63.623 63.200 -0.065 0.000 0.787 1136 S HN 0.524 nan 8.310 nan 0.000 0.533 1137 A N 0.460 123.268 122.820 -0.021 0.000 2.324 1137 A HA 0.547 4.869 4.320 0.003 0.000 0.220 1137 A C 1.574 179.159 177.584 0.002 0.000 1.209 1137 A CA -0.074 51.955 52.037 -0.015 0.000 0.918 1137 A CB 0.005 18.993 19.000 -0.019 0.000 0.959 1137 A HN 0.563 nan 8.150 nan 0.000 0.507 1138 I N -1.115 119.462 120.570 0.012 0.000 3.345 1138 I HA 0.108 4.280 4.170 0.003 0.000 0.258 1138 I C 0.932 177.079 176.117 0.050 0.000 1.134 1138 I CA -0.123 61.194 61.300 0.028 0.000 1.457 1138 I CB -0.482 37.534 38.000 0.025 0.000 1.425 1138 I HN 0.292 nan 8.210 nan 0.000 0.461 1139 E N 2.608 122.840 120.200 0.054 0.000 2.975 1139 E HA -0.251 4.101 4.350 0.003 0.000 0.269 1139 E C -0.150 176.511 176.600 0.102 0.000 0.905 1139 E CA 0.345 56.794 56.400 0.081 0.000 0.967 1139 E CB 0.169 29.919 29.700 0.084 0.000 0.925 1139 E HN 0.210 nan 8.360 nan 0.000 0.507 1140 H N 3.080 122.156 119.070 0.010 0.000 2.690 1140 H HA 0.257 4.815 4.556 0.003 0.000 0.314 1140 H C -1.092 174.238 175.328 0.004 0.000 1.069 1140 H CA 0.170 56.219 56.048 0.002 0.000 1.436 1140 H CB 0.900 30.661 29.762 -0.001 0.000 1.462 1140 H HN 0.365 nan 8.280 nan 0.000 0.511 1141 T N 5.251 119.597 114.554 -0.348 0.000 2.906 1141 T HA 0.255 4.607 4.350 0.003 0.000 0.302 1141 T C -0.610 173.880 174.700 -0.350 0.000 1.002 1141 T CA -0.868 61.078 62.100 -0.256 0.000 0.988 1141 T CB 0.571 69.366 68.868 -0.121 0.000 0.972 1141 T HN 0.730 nan 8.240 nan 0.000 0.447 1142 T N 1.323 115.697 114.554 -0.301 0.000 2.902 1142 T HA 0.448 4.800 4.350 0.003 0.000 0.283 1142 T C 1.391 176.023 174.700 -0.115 0.000 1.009 1142 T CA -0.952 61.013 62.100 -0.226 0.000 1.051 1142 T CB 1.270 70.047 68.868 -0.150 0.000 0.999 1142 T HN 0.217 nan 8.240 nan 0.000 0.474 1143 L N 1.695 122.865 121.223 -0.087 0.000 2.051 1143 L HA -0.121 4.221 4.340 0.003 0.000 0.214 1143 L C 2.550 179.398 176.870 -0.036 0.000 1.076 1143 L CA 2.007 56.813 54.840 -0.056 0.000 0.758 1143 L CB -0.967 41.071 42.059 -0.035 0.000 0.890 1143 L HN 0.946 nan 8.230 nan 0.000 0.433 1144 K N -0.854 119.530 120.400 -0.027 0.000 2.173 1144 K HA -0.241 4.081 4.320 0.003 0.000 0.207 1144 K C 2.057 178.651 176.600 -0.011 0.000 1.046 1144 K CA 1.808 58.089 56.287 -0.010 0.000 0.929 1144 K CB -0.186 32.314 32.500 -0.000 0.000 0.720 1144 K HN 0.703 nan 8.250 nan 0.000 0.453 1145 S N -0.226 115.461 115.700 -0.023 0.000 2.387 1145 S HA -0.088 4.383 4.470 0.003 0.000 0.226 1145 S C 1.866 176.458 174.600 -0.013 0.000 1.026 1145 S CA 0.969 59.160 58.200 -0.015 0.000 0.972 1145 S CB -0.237 62.950 63.200 -0.021 0.000 0.814 1145 S HN 0.239 nan 8.310 nan 0.000 0.477 1146 V N -0.906 118.995 119.914 -0.022 0.000 3.647 1146 V HA 0.271 4.393 4.120 0.003 0.000 0.279 1146 V C 0.493 176.579 176.094 -0.015 0.000 1.314 1146 V CA -0.032 62.255 62.300 -0.020 0.000 1.125 1146 V CB -1.126 30.676 31.823 -0.034 0.000 0.907 1146 V HN 0.302 nan 8.190 nan 0.000 0.434 1147 T N 1.389 115.937 114.554 -0.011 0.000 2.817 1147 T HA 0.560 4.912 4.350 0.003 0.000 0.293 1147 T C 1.083 175.786 174.700 0.005 0.000 0.964 1147 T CA -0.006 62.093 62.100 -0.003 0.000 1.085 1147 T CB 2.023 70.892 68.868 0.001 0.000 0.921 1147 T HN 0.177 nan 8.240 nan 0.000 0.502 1148 I N 1.277 121.852 120.570 0.009 0.000 2.628 1148 I HA 0.338 4.510 4.170 0.003 0.000 0.255 1148 I C 1.109 177.238 176.117 0.020 0.000 1.119 1148 I CA 0.239 61.547 61.300 0.014 0.000 1.448 1148 I CB 0.175 38.184 38.000 0.014 0.000 1.133 1148 I HN 0.639 nan 8.210 nan 0.000 0.438 1149 A N 0.133 122.967 122.820 0.024 0.000 2.594 1149 A HA 0.581 4.903 4.320 0.003 0.000 0.296 1149 A C -0.705 176.902 177.584 0.039 0.000 1.056 1149 A CA -0.431 51.626 52.037 0.033 0.000 0.693 1149 A CB 1.092 20.117 19.000 0.041 0.000 1.278 1149 A HN 0.102 nan 8.150 nan 0.000 0.408 1150 S N 0.652 116.379 115.700 0.045 0.000 2.568 1150 S HA 0.921 5.393 4.470 0.003 0.000 0.302 1150 S C -0.632 174.019 174.600 0.085 0.000 1.082 1150 S CA -0.512 57.719 58.200 0.053 0.000 1.009 1150 S CB 1.822 65.046 63.200 0.040 0.000 1.069 1150 S HN 0.741 nan 8.310 nan 0.000 0.500 1151 E N 0.314 120.585 120.200 0.118 0.000 2.392 1151 E HA 0.467 4.819 4.350 0.003 0.000 0.279 1151 E C -1.386 175.364 176.600 0.249 0.000 0.964 1151 E CA -0.687 55.842 56.400 0.213 0.000 0.777 1151 E CB 2.135 32.075 29.700 0.399 0.000 1.249 1151 E HN 0.706 nan 8.360 nan 0.000 0.449 1152 I N 2.057 122.790 120.570 0.272 0.000 2.464 1152 I HA 0.361 4.533 4.170 0.003 0.000 0.277 1152 I C -0.938 175.434 176.117 0.425 0.000 1.040 1152 I CA -0.767 60.699 61.300 0.277 0.000 1.153 1152 I CB 0.057 38.118 38.000 0.102 0.000 1.274 1152 I HN 0.327 nan 8.210 nan 0.000 0.469 1153 Y N 3.826 124.254 120.300 0.213 0.000 2.408 1153 Y HA 0.304 4.856 4.550 0.003 0.000 0.324 1153 Y C -0.284 175.846 175.900 0.383 0.000 1.302 1153 Y CA -0.820 57.429 58.100 0.250 0.000 1.384 1153 Y CB 0.639 39.184 38.460 0.141 0.000 1.367 1153 Y HN 0.400 nan 8.280 nan 0.000 0.525 1154 Y N 1.769 122.257 120.300 0.314 0.000 2.587 1154 Y HA 0.320 4.872 4.550 0.003 0.000 0.328 1154 Y C -1.035 174.862 175.900 -0.004 0.000 0.980 1154 Y CA -0.863 57.254 58.100 0.029 0.000 1.272 1154 Y CB 0.279 38.677 38.460 -0.103 0.000 1.094 1154 Y HN 0.491 nan 8.280 nan 0.000 0.503 1155 D N 8.268 128.403 120.400 -0.442 0.000 2.440 1155 D HA 0.240 4.882 4.640 0.003 0.000 0.252 1155 D C -2.238 173.776 176.300 -0.477 0.000 1.180 1155 D CA -1.526 52.274 54.000 -0.333 0.000 0.894 1155 D CB 2.439 43.178 40.800 -0.102 0.000 1.111 1155 D HN 0.292 nan 8.370 nan 0.000 0.544 1156 P HA 0.047 nan 4.420 nan 0.000 0.239 1156 P C 0.137 177.315 177.300 -0.203 0.000 1.188 1156 P CA 0.171 63.016 63.100 -0.425 0.000 0.794 1156 P CB 0.843 32.290 31.700 -0.421 0.000 0.937 1157 D N 2.228 122.541 120.400 -0.145 0.000 2.468 1157 D HA 0.121 4.763 4.640 0.003 0.000 0.218 1157 D C -1.348 174.925 176.300 -0.045 0.000 1.155 1157 D CA -2.454 51.501 54.000 -0.075 0.000 0.924 1157 D CB 0.571 41.340 40.800 -0.051 0.000 1.029 1157 D HN 0.068 nan 8.370 nan 0.000 0.515 1158 P HA -0.102 nan 4.420 nan 0.000 0.249 1158 P C 0.326 177.671 177.300 0.075 0.000 1.227 1158 P CA 0.495 63.603 63.100 0.013 0.000 0.753 1158 P CB 0.209 31.901 31.700 -0.015 0.000 0.966 1159 R N -0.568 119.960 120.500 0.047 0.000 2.509 1159 R HA 0.209 4.551 4.340 0.003 0.000 0.297 1159 R C 0.126 176.432 176.300 0.011 0.000 0.951 1159 R CA 0.159 56.293 56.100 0.057 0.000 1.103 1159 R CB 0.668 30.978 30.300 0.017 0.000 1.283 1159 R HN 0.191 nan 8.270 nan 0.000 0.534 1160 S N -0.707 114.997 115.700 0.007 0.000 2.586 1160 S HA 0.224 4.696 4.470 0.003 0.000 0.296 1160 S C -0.736 173.860 174.600 -0.006 0.000 1.120 1160 S CA -0.819 57.379 58.200 -0.004 0.000 0.927 1160 S CB 1.952 65.142 63.200 -0.017 0.000 1.114 1160 S HN -0.097 nan 8.310 nan 0.000 0.453 1161 T N 2.718 117.271 114.554 -0.001 0.000 2.875 1161 T HA 0.379 4.731 4.350 0.003 0.000 0.284 1161 T C 1.343 176.053 174.700 0.017 0.000 0.995 1161 T CA -0.582 61.517 62.100 -0.001 0.000 1.060 1161 T CB 1.393 70.255 68.868 -0.010 0.000 0.967 1161 T HN 0.689 nan 8.240 nan 0.000 0.476 1162 V N 3.047 122.984 119.914 0.038 0.000 3.383 1162 V HA 0.046 4.168 4.120 0.003 0.000 0.272 1162 V C 0.646 176.793 176.094 0.089 0.000 1.181 1162 V CA 1.031 63.371 62.300 0.067 0.000 1.171 1162 V CB -1.268 30.614 31.823 0.098 0.000 0.800 1162 V HN 0.646 nan 8.190 nan 0.000 0.515 1163 I N 1.542 122.155 120.570 0.071 0.000 2.404 1163 I HA 0.294 4.466 4.170 0.003 0.000 0.293 1163 I C -0.943 175.195 176.117 0.035 0.000 0.992 1163 I CA -2.127 59.216 61.300 0.071 0.000 1.149 1163 I CB 1.847 39.870 38.000 0.038 0.000 1.315 1163 I HN -0.057 nan 8.210 nan 0.000 0.446 1164 P HA -0.188 nan 4.420 nan 0.000 0.205 1164 P C 0.920 178.229 177.300 0.016 0.000 1.193 1164 P CA 1.587 64.701 63.100 0.025 0.000 0.929 1164 P CB 0.131 31.848 31.700 0.029 0.000 0.772 1165 E N -0.282 119.928 120.200 0.017 0.000 2.370 1165 E HA -0.229 4.123 4.350 0.003 0.000 0.205 1165 E C 1.248 177.850 176.600 0.003 0.000 1.037 1165 E CA 1.576 57.982 56.400 0.011 0.000 0.845 1165 E CB -0.635 29.073 29.700 0.013 0.000 0.753 1165 E HN 0.385 nan 8.360 nan 0.000 0.507 1166 D N -0.256 120.141 120.400 -0.004 0.000 2.367 1166 D HA -0.003 4.639 4.640 0.003 0.000 0.207 1166 D C 1.311 177.611 176.300 0.001 0.000 1.034 1166 D CA 0.130 54.123 54.000 -0.012 0.000 0.861 1166 D CB 0.185 40.962 40.800 -0.039 0.000 0.943 1166 D HN 0.182 nan 8.370 nan 0.000 0.515 1167 E N 0.817 121.019 120.200 0.004 0.000 2.065 1167 E HA -0.289 4.063 4.350 0.003 0.000 0.201 1167 E C 1.731 178.338 176.600 0.011 0.000 1.016 1167 E CA 1.085 57.488 56.400 0.005 0.000 0.818 1167 E CB -0.057 29.644 29.700 0.001 0.000 0.749 1167 E HN 0.390 nan 8.360 nan 0.000 0.453 1168 E N 0.601 120.808 120.200 0.011 0.000 2.219 1168 E HA -0.207 4.145 4.350 0.003 0.000 0.198 1168 E C 1.950 178.568 176.600 0.031 0.000 0.998 1168 E CA 0.853 57.263 56.400 0.016 0.000 0.818 1168 E CB -0.074 29.635 29.700 0.014 0.000 0.741 1168 E HN 0.294 nan 8.360 nan 0.000 0.477 1169 I N 0.546 121.136 120.570 0.034 0.000 2.830 1169 I HA -0.192 3.980 4.170 0.003 0.000 0.263 1169 I C 1.872 178.043 176.117 0.090 0.000 1.230 1169 I CA 0.484 61.812 61.300 0.047 0.000 1.480 1169 I CB -0.123 37.890 38.000 0.022 0.000 1.095 1169 I HN 0.186 nan 8.210 nan 0.000 0.455 1170 I N 0.003 120.638 120.570 0.108 0.000 2.385 1170 I HA -0.160 4.012 4.170 0.003 0.000 0.244 1170 I C 2.388 178.697 176.117 0.320 0.000 1.089 1170 I CA 0.716 62.151 61.300 0.224 0.000 1.410 1170 I CB -0.748 37.358 38.000 0.177 0.000 1.117 1170 I HN 0.090 nan 8.210 nan 0.000 0.429 1171 Q N 1.513 121.374 119.800 0.102 0.000 2.173 1171 Q HA -0.181 4.161 4.340 0.003 0.000 0.208 1171 Q C 2.194 178.265 176.000 0.118 0.000 0.989 1171 Q CA 1.534 57.329 55.803 -0.012 0.000 0.872 1171 Q CB -0.381 28.327 28.738 -0.050 0.000 0.909 1171 Q HN 0.564 nan 8.270 nan 0.000 0.420 1172 L N -0.368 120.936 121.223 0.135 0.000 2.552 1172 L HA -0.017 4.325 4.340 0.003 0.000 0.227 1172 L C 1.219 178.140 176.870 0.085 0.000 1.146 1172 L CA 0.260 55.152 54.840 0.087 0.000 0.858 1172 L CB -0.125 41.952 42.059 0.031 0.000 0.969 1172 L HN 0.268 nan 8.230 nan 0.000 0.451 1173 H N -0.596 118.602 119.070 0.212 0.000 2.452 1173 H HA 0.195 4.753 4.556 0.003 0.000 0.240 1173 H C -0.195 175.080 175.328 -0.089 0.000 1.498 1173 H CA 0.006 56.072 56.048 0.031 0.000 1.142 1173 H CB 0.326 30.013 29.762 -0.124 0.000 1.599 1173 H HN 0.178 nan 8.280 nan 0.000 0.527 1174 F N -1.355 118.590 119.950 -0.008 0.000 2.897 1174 F HA 0.030 4.559 4.527 0.003 0.000 0.377 1174 F C 1.246 177.027 175.800 -0.032 0.000 0.917 1174 F CA -0.210 57.793 58.000 0.006 0.000 1.079 1174 F CB 0.346 39.352 39.000 0.009 0.000 1.068 1174 F HN 0.067 nan 8.300 nan 0.000 0.581 1175 S N 0.816 116.578 115.700 0.104 0.000 2.758 1175 S HA 0.742 5.214 4.470 0.003 0.000 0.292 1175 S C -0.151 174.426 174.600 -0.038 0.000 1.131 1175 S CA -0.726 57.492 58.200 0.029 0.000 0.997 1175 S CB 1.381 64.596 63.200 0.024 0.000 1.111 1175 S HN 0.060 nan 8.310 nan 0.000 0.552 1188 Q N 1.413 121.167 119.800 -0.076 0.000 2.256 1188 Q HA 0.612 4.954 4.340 0.003 0.000 0.232 1188 Q C -0.794 175.191 176.000 -0.025 0.000 0.965 1188 Q CA -0.277 55.493 55.803 -0.056 0.000 0.908 1188 Q CB 1.775 30.457 28.738 -0.094 0.000 1.209 1188 Q HN 0.282 nan 8.270 nan 0.000 0.489 1189 S N 0.550 116.256 115.700 0.010 0.000 2.616 1189 S HA 0.317 4.789 4.470 0.003 0.000 0.277 1189 S C -1.842 172.743 174.600 -0.026 0.000 1.234 1189 S CA -1.759 56.460 58.200 0.030 0.000 1.028 1189 S CB 0.669 63.942 63.200 0.122 0.000 0.988 1189 S HN 0.473 nan 8.310 nan 0.000 0.522 1190 P HA 0.088 nan 4.420 nan 0.000 0.245 1190 P C -0.420 176.658 177.300 -0.369 0.000 1.206 1190 P CA 0.092 62.985 63.100 -0.346 0.000 0.781 1190 P CB -0.027 31.347 31.700 -0.543 0.000 0.994 1191 W N 1.217 122.490 121.300 -0.045 0.000 2.481 1191 W HA 0.299 4.961 4.660 0.003 0.000 0.320 1191 W C 0.415 176.941 176.519 0.013 0.000 1.209 1191 W CA -0.930 56.427 57.345 0.020 0.000 1.400 1191 W CB 0.328 29.831 29.460 0.071 0.000 1.361 1191 W HN -0.090 nan 8.180 nan 0.000 0.456 1192 L N 5.568 126.994 121.223 0.338 0.000 2.357 1192 L HA 0.571 4.913 4.340 0.003 0.000 0.273 1192 L C -0.867 176.120 176.870 0.194 0.000 1.080 1192 L CA -0.738 54.219 54.840 0.195 0.000 0.803 1192 L CB 0.864 42.995 42.059 0.120 0.000 1.174 1192 L HN 0.294 nan 8.230 nan 0.000 0.443 1193 L N 5.037 126.315 121.223 0.092 0.000 2.376 1193 L HA 0.608 4.950 4.340 0.003 0.000 0.275 1193 L C -1.021 175.856 176.870 0.012 0.000 0.987 1193 L CA -0.374 54.505 54.840 0.064 0.000 0.828 1193 L CB 1.353 43.429 42.059 0.028 0.000 1.249 1193 L HN 0.766 nan 8.230 nan 0.000 0.409 1194 R N 5.082 125.587 120.500 0.008 0.000 2.513 1194 R HA 0.759 5.101 4.340 0.003 0.000 0.301 1194 R C -1.866 174.429 176.300 -0.007 0.000 0.968 1194 R CA -0.572 55.501 56.100 -0.045 0.000 0.872 1194 R CB 1.246 31.438 30.300 -0.181 0.000 1.177 1194 R HN 0.766 nan 8.270 nan 0.000 0.444 1195 L N 3.384 124.603 121.223 -0.006 0.000 2.325 1195 L HA 0.449 4.791 4.340 0.003 0.000 0.281 1195 L C -0.254 176.619 176.870 0.005 0.000 1.004 1195 L CA -0.583 54.261 54.840 0.008 0.000 0.823 1195 L CB 1.914 43.979 42.059 0.010 0.000 1.236 1195 L HN 0.622 nan 8.230 nan 0.000 0.415 1196 E N 4.551 124.757 120.200 0.011 0.000 2.055 1196 E HA 0.419 4.771 4.350 0.003 0.000 0.274 1196 E C -1.010 175.595 176.600 0.008 0.000 0.949 1196 E CA -0.532 55.875 56.400 0.011 0.000 0.775 1196 E CB 0.956 30.667 29.700 0.018 0.000 1.097 1196 E HN 0.497 nan 8.360 nan 0.000 0.404 1197 L N 2.603 123.828 121.223 0.002 0.000 2.439 1197 L HA 0.315 4.657 4.340 0.003 0.000 0.259 1197 L C 0.488 177.356 176.870 -0.002 0.000 1.129 1197 L CA -0.686 54.151 54.840 -0.005 0.000 0.803 1197 L CB 0.686 42.735 42.059 -0.017 0.000 1.161 1197 L HN 0.478 nan 8.230 nan 0.000 0.462 1198 D N 0.469 120.866 120.400 -0.005 0.000 2.274 1198 D HA 0.150 4.792 4.640 0.003 0.000 0.239 1198 D C 0.809 177.106 176.300 -0.006 0.000 1.104 1198 D CA -0.189 53.810 54.000 -0.002 0.000 0.840 1198 D CB 1.507 42.307 40.800 -0.000 0.000 1.100 1198 D HN 0.382 nan 8.370 nan 0.000 0.477 1199 R N 2.767 123.265 120.500 -0.003 0.000 2.082 1199 R HA -0.187 4.155 4.340 0.003 0.000 0.234 1199 R C 1.957 178.252 176.300 -0.008 0.000 1.136 1199 R CA 1.806 57.903 56.100 -0.006 0.000 0.935 1199 R CB -0.180 30.118 30.300 -0.002 0.000 0.842 1199 R HN 0.579 nan 8.270 nan 0.000 0.430 1200 A N 0.891 123.708 122.820 -0.004 0.000 1.863 1200 A HA -0.279 4.043 4.320 0.003 0.000 0.218 1200 A C 2.347 179.928 177.584 -0.004 0.000 1.233 1200 A CA 2.412 54.447 52.037 -0.002 0.000 0.655 1200 A CB -1.314 17.688 19.000 0.002 0.000 0.839 1200 A HN 0.557 nan 8.150 nan 0.000 0.454 1201 A N -1.890 120.930 122.820 -0.001 0.000 2.084 1201 A HA -0.139 4.183 4.320 0.003 0.000 0.221 1201 A C 1.998 179.574 177.584 -0.013 0.000 1.161 1201 A CA 2.012 54.048 52.037 -0.001 0.000 0.653 1201 A CB -0.483 18.517 19.000 -0.001 0.000 0.802 1201 A HN 0.481 nan 8.150 nan 0.000 0.457 1202 M N -0.326 119.262 119.600 -0.019 0.000 2.558 1202 M HA 0.031 4.513 4.480 0.003 0.000 0.255 1202 M C 1.032 177.311 176.300 -0.033 0.000 1.113 1202 M CA 0.684 55.965 55.300 -0.031 0.000 1.097 1202 M CB -0.960 31.621 32.600 -0.032 0.000 1.426 1202 M HN 0.427 nan 8.290 nan 0.000 0.488 1203 N N -0.110 118.574 118.700 -0.027 0.000 2.482 1203 N HA -0.081 4.661 4.740 0.003 0.000 0.179 1203 N C 1.349 176.835 175.510 -0.040 0.000 1.039 1203 N CA 0.457 53.487 53.050 -0.033 0.000 0.884 1203 N CB 0.045 38.517 38.487 -0.026 0.000 1.113 1203 N HN 0.334 nan 8.380 nan 0.000 0.440 1204 D N 1.591 121.975 120.400 -0.027 0.000 2.127 1204 D HA -0.142 4.500 4.640 0.003 0.000 0.190 1204 D C -0.168 176.094 176.300 -0.063 0.000 1.000 1204 D CA 1.252 55.235 54.000 -0.027 0.000 0.839 1204 D CB 0.234 41.047 40.800 0.023 0.000 0.955 1204 D HN 0.200 nan 8.370 nan 0.000 0.446 1205 K N 1.764 122.140 120.400 -0.040 0.000 2.347 1205 K HA 0.154 4.476 4.320 0.003 0.000 0.262 1205 K C -0.772 175.793 176.600 -0.058 0.000 1.052 1205 K CA -0.659 55.597 56.287 -0.051 0.000 0.946 1205 K CB 1.618 34.106 32.500 -0.020 0.000 1.220 1205 K HN 0.004 nan 8.250 nan 0.000 0.450 1206 D N 3.430 123.788 120.400 -0.070 0.000 2.982 1206 D HA -0.110 4.532 4.640 0.003 0.000 0.222 1206 D C -0.312 175.950 176.300 -0.063 0.000 1.124 1206 D CA 1.297 55.258 54.000 -0.065 0.000 0.810 1206 D CB 0.396 41.155 40.800 -0.068 0.000 1.152 1206 D HN 0.360 nan 8.370 nan 0.000 0.538 1207 L N 1.919 123.104 121.223 -0.062 0.000 2.582 1207 L HA 0.340 4.681 4.340 0.003 0.000 0.257 1207 L C -0.293 176.533 176.870 -0.073 0.000 0.974 1207 L CA -0.645 54.152 54.840 -0.072 0.000 0.851 1207 L CB 2.645 44.659 42.059 -0.075 0.000 1.424 1207 L HN 0.146 nan 8.230 nan 0.000 0.412 1208 T N 1.474 115.972 114.554 -0.094 0.000 2.916 1208 T HA 0.304 4.656 4.350 0.003 0.000 0.298 1208 T C 0.922 175.519 174.700 -0.170 0.000 1.031 1208 T CA -0.678 61.363 62.100 -0.098 0.000 0.993 1208 T CB 1.923 70.746 68.868 -0.075 0.000 1.045 1208 T HN 0.417 nan 8.240 nan 0.000 0.454 1209 M N 1.626 121.113 119.600 -0.188 0.000 2.103 1209 M HA -0.111 4.371 4.480 0.003 0.000 0.255 1209 M C 2.491 178.405 176.300 -0.643 0.000 1.074 1209 M CA 2.260 57.336 55.300 -0.372 0.000 1.090 1209 M CB -2.034 30.396 32.600 -0.283 0.000 1.325 1209 M HN 0.854 nan 8.290 nan 0.000 0.403 1210 G N 0.211 108.755 108.800 -0.425 0.000 2.681 1210 G HA2 -0.318 3.644 3.960 0.003 0.000 0.220 1210 G HA3 -0.318 3.644 3.960 0.003 0.000 0.220 1210 G C 1.468 176.134 174.900 -0.390 0.000 1.210 1210 G CA 1.422 46.311 45.100 -0.352 0.000 0.783 1210 G HN 0.609 nan 8.290 nan 0.000 0.609 1211 Q N -0.209 119.444 119.800 -0.246 0.000 1.985 1211 Q HA -0.144 4.198 4.340 0.003 0.000 0.207 1211 Q C 2.879 178.727 176.000 -0.254 0.000 0.996 1211 Q CA 1.949 57.635 55.803 -0.194 0.000 0.851 1211 Q CB -0.666 27.989 28.738 -0.138 0.000 0.921 1211 Q HN 0.373 nan 8.270 nan 0.000 0.418 1212 V N 0.951 120.693 119.914 -0.286 0.000 2.227 1212 V HA -0.353 3.769 4.120 0.003 0.000 0.249 1212 V C 2.256 178.150 176.094 -0.333 0.000 1.046 1212 V CA 2.270 64.405 62.300 -0.274 0.000 1.015 1212 V CB -1.682 29.974 31.823 -0.279 0.000 0.648 1212 V HN 0.663 nan 8.190 nan 0.000 0.460 1213 G N -0.845 107.593 108.800 -0.604 0.000 2.553 1213 G HA2 -0.298 3.664 3.960 0.003 0.000 0.218 1213 G HA3 -0.298 3.664 3.960 0.003 0.000 0.218 1213 G C 1.417 176.098 174.900 -0.365 0.000 1.195 1213 G CA 1.045 45.757 45.100 -0.646 0.000 0.779 1213 G HN 0.554 nan 8.290 nan 0.000 0.577 1214 E N 0.107 120.048 120.200 -0.430 0.000 2.197 1214 E HA -0.249 4.103 4.350 0.003 0.000 0.205 1214 E C 2.610 179.180 176.600 -0.049 0.000 1.029 1214 E CA 1.386 57.726 56.400 -0.100 0.000 0.828 1214 E CB -0.146 29.504 29.700 -0.082 0.000 0.737 1214 E HN 0.229 nan 8.360 nan 0.000 0.464 1215 R N 0.686 121.128 120.500 -0.098 0.000 2.061 1215 R HA -0.024 4.318 4.340 0.003 0.000 0.230 1215 R C 2.453 178.742 176.300 -0.018 0.000 1.140 1215 R CA 1.076 57.140 56.100 -0.060 0.000 0.940 1215 R CB -0.838 29.412 30.300 -0.084 0.000 0.839 1215 R HN 0.160 nan 8.270 nan 0.000 0.429 1216 I N 0.725 121.294 120.570 -0.000 0.000 2.091 1216 I HA -0.418 3.754 4.170 0.003 0.000 0.240 1216 I C 2.408 178.661 176.117 0.226 0.000 1.046 1216 I CA 2.022 63.397 61.300 0.124 0.000 1.306 1216 I CB -0.492 37.592 38.000 0.139 0.000 1.018 1216 I HN 0.236 nan 8.210 nan 0.000 0.404 1217 K N 0.921 121.428 120.400 0.178 0.000 2.152 1217 K HA -0.229 4.093 4.320 0.003 0.000 0.206 1217 K C 2.057 178.752 176.600 0.158 0.000 1.048 1217 K CA 1.695 58.101 56.287 0.198 0.000 0.933 1217 K CB -0.047 32.566 32.500 0.188 0.000 0.721 1217 K HN 0.563 nan 8.250 nan 0.000 0.447 1218 Q N -1.405 118.449 119.800 0.091 0.000 2.403 1218 Q HA 0.043 4.385 4.340 0.003 0.000 0.203 1218 Q C 0.728 176.727 176.000 -0.003 0.000 0.932 1218 Q CA 0.732 56.564 55.803 0.049 0.000 0.945 1218 Q CB 0.589 29.344 28.738 0.027 0.000 1.045 1218 Q HN 0.038 nan 8.270 nan 0.000 0.511 1219 T N -0.340 114.193 114.554 -0.035 0.000 3.031 1219 T HA 0.133 4.485 4.350 0.003 0.000 0.254 1219 T C 0.608 175.077 174.700 -0.385 0.000 1.060 1219 T CA 0.619 62.576 62.100 -0.239 0.000 1.135 1219 T CB -0.006 68.641 68.868 -0.367 0.000 0.896 1219 T HN 0.311 nan 8.240 nan 0.000 0.472 1220 F N 0.506 120.471 119.950 0.024 0.000 2.592 1220 F HA 0.390 4.919 4.527 0.003 0.000 0.280 1220 F C 1.249 177.070 175.800 0.035 0.000 1.083 1220 F CA -0.341 57.677 58.000 0.030 0.000 1.365 1220 F CB 0.234 39.255 39.000 0.036 0.000 1.100 1220 F HN -0.094 nan 8.300 nan 0.000 0.633 1221 K N -0.194 120.338 120.400 0.220 0.000 6.203 1221 K HA -0.270 4.052 4.320 0.003 0.000 0.219 1221 K C -0.667 176.019 176.600 0.142 0.000 1.545 1221 K CA 1.086 57.459 56.287 0.142 0.000 0.759 1221 K CB -1.272 31.285 32.500 0.096 0.000 0.651 1221 K HN 0.035 nan 8.250 nan 0.000 0.535 1222 N N 2.619 121.385 118.700 0.110 0.000 3.083 1222 N HA 0.167 4.909 4.740 0.003 0.000 0.260 1222 N C -1.049 174.513 175.510 0.087 0.000 1.163 1222 N CA 0.560 53.666 53.050 0.092 0.000 1.060 1222 N CB 0.386 38.912 38.487 0.066 0.000 1.345 1222 N HN 0.537 nan 8.380 nan 0.000 0.515 1223 D N 0.492 120.951 120.400 0.099 0.000 4.090 1223 D HA -0.032 4.610 4.640 0.003 0.000 0.202 1223 D C -0.870 175.464 176.300 0.056 0.000 0.953 1223 D CA -0.340 53.706 54.000 0.077 0.000 0.737 1223 D CB -0.986 39.862 40.800 0.081 0.000 1.711 1223 D HN 0.201 nan 8.370 nan 0.000 0.406 1224 L N 0.938 122.203 121.223 0.069 0.000 2.849 1224 L HA 0.531 4.873 4.340 0.003 0.000 0.256 1224 L C -2.162 174.767 176.870 0.099 0.000 0.951 1224 L CA -0.736 54.111 54.840 0.011 0.000 1.003 1224 L CB 1.156 43.108 42.059 -0.177 0.000 1.408 1224 L HN -0.030 nan 8.230 nan 0.000 0.463 1225 F N 5.549 125.467 119.950 -0.054 0.000 2.412 1225 F HA 0.772 5.301 4.527 0.003 0.000 0.348 1225 F C -0.466 175.297 175.800 -0.062 0.000 1.102 1225 F CA -0.050 57.914 58.000 -0.061 0.000 1.196 1225 F CB 1.090 40.042 39.000 -0.081 0.000 1.144 1225 F HN 0.281 nan 8.300 nan 0.000 0.541 1226 V N 6.825 126.308 119.914 -0.718 0.000 2.971 1226 V HA 0.559 4.681 4.120 0.003 0.000 0.309 1226 V C -0.276 175.321 176.094 -0.828 0.000 1.130 1226 V CA -0.888 61.088 62.300 -0.541 0.000 0.964 1226 V CB 1.988 33.767 31.823 -0.074 0.000 1.029 1226 V HN 0.704 nan 8.190 nan 0.000 0.427 1227 I N 1.680 121.906 120.570 -0.573 0.000 3.264 1227 I HA 0.775 4.946 4.170 0.003 0.000 0.315 1227 I C -1.602 174.399 176.117 -0.194 0.000 1.154 1227 I CA -0.630 60.216 61.300 -0.756 0.000 0.962 1227 I CB 2.711 40.305 38.000 -0.677 0.000 1.265 1227 I HN 0.915 nan 8.210 nan 0.000 0.463 1228 W N 0.696 121.911 121.300 -0.142 0.000 3.298 1228 W HA 0.604 5.266 4.660 0.003 0.000 0.302 1228 W C -0.765 175.752 176.519 -0.002 0.000 1.255 1228 W CA -0.881 56.426 57.345 -0.063 0.000 1.196 1228 W CB -0.290 29.137 29.460 -0.055 0.000 1.364 1228 W HN 0.576 nan 8.180 nan 0.000 0.566 1229 S N 0.354 116.209 115.700 0.257 0.000 2.632 1229 S HA 0.458 4.930 4.470 0.003 0.000 0.254 1229 S C -0.258 174.490 174.600 0.247 0.000 1.291 1229 S CA -0.310 57.993 58.200 0.172 0.000 0.974 1229 S CB 0.748 64.012 63.200 0.107 0.000 1.016 1229 S HN 0.620 nan 8.310 nan 0.000 0.579 1230 E N -0.233 120.057 120.200 0.151 0.000 2.227 1230 E HA 0.239 4.591 4.350 0.003 0.000 0.268 1230 E C 0.039 176.691 176.600 0.086 0.000 0.907 1230 E CA -0.705 55.779 56.400 0.139 0.000 0.786 1230 E CB 1.204 30.962 29.700 0.097 0.000 1.191 1230 E HN 0.565 nan 8.360 nan 0.000 0.411 1231 D N 1.337 121.779 120.400 0.070 0.000 2.280 1231 D HA -0.219 4.423 4.640 0.003 0.000 0.206 1231 D C 1.117 177.433 176.300 0.027 0.000 0.988 1231 D CA 1.049 55.070 54.000 0.034 0.000 0.886 1231 D CB 0.212 41.025 40.800 0.021 0.000 0.914 1231 D HN 0.379 nan 8.370 nan 0.000 0.473 1232 N N 1.010 119.729 118.700 0.032 0.000 2.148 1232 N HA -0.095 4.647 4.740 0.003 0.000 0.186 1232 N C 0.241 175.765 175.510 0.023 0.000 1.031 1232 N CA 0.512 53.576 53.050 0.024 0.000 0.848 1232 N CB 0.144 38.645 38.487 0.023 0.000 1.005 1232 N HN 0.067 nan 8.380 nan 0.000 0.427 1233 D N 0.914 121.332 120.400 0.030 0.000 2.505 1233 D HA -0.155 4.487 4.640 0.003 0.000 0.229 1233 D C 1.067 177.380 176.300 0.022 0.000 1.215 1233 D CA 0.585 54.602 54.000 0.027 0.000 0.880 1233 D CB 0.465 41.287 40.800 0.036 0.000 1.228 1233 D HN 0.531 nan 8.370 nan 0.000 0.497 1234 E N 0.326 120.537 120.200 0.018 0.000 2.489 1234 E HA -0.020 4.331 4.350 0.003 0.000 0.193 1234 E C -0.117 176.492 176.600 0.016 0.000 1.057 1234 E CA 0.557 56.966 56.400 0.015 0.000 0.866 1234 E CB 0.320 30.028 29.700 0.013 0.000 0.916 1234 E HN 0.173 nan 8.360 nan 0.000 0.500 1235 K N 1.534 121.945 120.400 0.019 0.000 2.640 1235 K HA 0.315 4.637 4.320 0.003 0.000 0.245 1235 K C -1.067 175.548 176.600 0.024 0.000 0.962 1235 K CA -0.475 55.823 56.287 0.019 0.000 0.896 1235 K CB 1.819 34.329 32.500 0.016 0.000 1.147 1235 K HN 0.077 nan 8.250 nan 0.000 0.445 1236 L N 5.224 126.460 121.223 0.022 0.000 2.410 1236 L HA 0.421 4.763 4.340 0.003 0.000 0.273 1236 L C 0.036 176.922 176.870 0.027 0.000 1.144 1236 L CA 0.093 54.949 54.840 0.027 0.000 0.863 1236 L CB -0.014 42.051 42.059 0.010 0.000 1.140 1236 L HN 0.445 nan 8.230 nan 0.000 0.463 1237 I N 4.107 124.705 120.570 0.047 0.000 2.913 1237 I HA 0.441 4.613 4.170 0.003 0.000 0.302 1237 I C -0.801 175.359 176.117 0.072 0.000 1.246 1237 I CA -0.494 60.828 61.300 0.036 0.000 1.010 1237 I CB 2.994 41.001 38.000 0.011 0.000 1.259 1237 I HN 0.428 nan 8.210 nan 0.000 0.434 1238 I N 4.283 124.881 120.570 0.047 0.000 2.439 1238 I HA 0.452 4.623 4.170 0.003 0.000 0.283 1238 I C -0.319 175.806 176.117 0.014 0.000 1.023 1238 I CA -0.479 60.866 61.300 0.075 0.000 1.100 1238 I CB 1.578 39.616 38.000 0.063 0.000 1.238 1238 I HN 0.463 nan 8.210 nan 0.000 0.445 1239 R N 4.457 124.947 120.500 -0.017 0.000 2.691 1239 R HA 0.898 5.240 4.340 0.003 0.000 0.259 1239 R C -0.964 175.283 176.300 -0.088 0.000 1.048 1239 R CA -0.527 55.536 56.100 -0.062 0.000 1.086 1239 R CB 1.909 32.159 30.300 -0.085 0.000 1.166 1239 R HN 0.842 nan 8.270 nan 0.000 0.526 1240 C N -1.186 118.073 119.300 -0.068 0.000 3.086 1240 C HA 0.403 4.865 4.460 0.003 0.000 0.396 1240 C C -1.080 173.911 174.990 0.002 0.000 1.056 1240 C CA -1.358 57.618 59.018 -0.070 0.000 1.078 1240 C CB 0.744 28.431 27.740 -0.089 0.000 1.467 1240 C HN 0.935 nan 8.230 nan 0.000 0.580 1241 R N 1.543 122.076 120.500 0.056 0.000 2.912 1241 R HA 0.895 5.237 4.340 0.003 0.000 0.262 1241 R C 0.110 176.445 176.300 0.058 0.000 1.057 1241 R CA -0.691 55.457 56.100 0.080 0.000 0.981 1241 R CB 1.594 31.959 30.300 0.108 0.000 1.201 1241 R HN 0.639 nan 8.270 nan 0.000 0.484 1242 V N 0.021 119.970 119.914 0.058 0.000 3.906 1242 V HA 0.466 4.588 4.120 0.003 0.000 0.265 1242 V C 0.495 176.615 176.094 0.044 0.000 0.910 1242 V CA -0.217 62.102 62.300 0.032 0.000 0.858 1242 V CB 0.605 32.457 31.823 0.049 0.000 1.199 1242 V HN 0.596 nan 8.190 nan 0.000 0.390 1255 E N 0.450 120.696 120.200 0.076 0.000 2.326 1255 E HA -0.167 4.185 4.350 0.003 0.000 0.195 1255 E C 0.529 177.154 176.600 0.041 0.000 1.367 1255 E CA 0.728 57.162 56.400 0.056 0.000 0.666 1255 E CB -0.638 29.070 29.700 0.015 0.000 1.147 1255 E HN 0.760 nan 8.360 nan 0.000 0.384 1256 E N 0.487 120.715 120.200 0.048 0.000 2.170 1256 E HA -0.119 4.233 4.350 0.003 0.000 0.191 1256 E C 1.181 177.651 176.600 -0.217 0.000 0.981 1256 E CA 0.592 56.992 56.400 0.001 0.000 0.830 1256 E CB 0.139 29.983 29.700 0.240 0.000 0.775 1256 E HN 0.427 nan 8.360 nan 0.000 0.470 1257 D N 0.737 120.864 120.400 -0.456 0.000 2.078 1257 D HA -0.187 4.455 4.640 0.003 0.000 0.193 1257 D C 1.950 178.124 176.300 -0.210 0.000 0.990 1257 D CA 1.032 54.715 54.000 -0.527 0.000 0.827 1257 D CB -0.436 40.006 40.800 -0.597 0.000 0.975 1257 D HN 0.216 nan 8.370 nan 0.000 0.451 1258 H N 0.922 119.881 119.070 -0.186 0.000 2.289 1258 H HA -0.139 4.419 4.556 0.003 0.000 0.294 1258 H C 2.145 177.425 175.328 -0.080 0.000 1.095 1258 H CA 1.463 57.448 56.048 -0.105 0.000 1.256 1258 H CB -0.424 29.298 29.762 -0.067 0.000 1.359 1258 H HN 0.131 nan 8.280 nan 0.000 0.487 1259 M N -0.029 119.643 119.600 0.121 0.000 2.175 1259 M HA -0.134 4.348 4.480 0.003 0.000 0.264 1259 M C 1.272 177.582 176.300 0.017 0.000 1.063 1259 M CA 0.890 56.230 55.300 0.068 0.000 1.119 1259 M CB -0.009 32.612 32.600 0.035 0.000 1.377 1259 M HN 0.161 nan 8.290 nan 0.000 0.415 1260 L N 0.987 122.187 121.223 -0.039 0.000 2.873 1260 L HA 0.063 4.405 4.340 0.003 0.000 0.252 1260 L C 0.852 177.685 176.870 -0.060 0.000 1.266 1260 L CA 1.090 55.896 54.840 -0.057 0.000 1.111 1260 L CB -1.028 40.983 42.059 -0.080 0.000 1.440 1260 L HN 0.223 nan 8.230 nan 0.000 0.427 1261 K N -1.707 118.671 120.400 -0.037 0.000 2.603 1261 K HA 0.150 4.472 4.320 0.003 0.000 0.205 1261 K C 1.655 178.255 176.600 0.000 0.000 1.500 1261 K CA -0.028 56.236 56.287 -0.039 0.000 1.059 1261 K CB 0.558 33.005 32.500 -0.089 0.000 1.416 1261 K HN 0.142 nan 8.250 nan 0.000 0.562 1262 K N 0.821 121.238 120.400 0.028 0.000 2.148 1262 K HA 0.020 4.342 4.320 0.003 0.000 0.204 1262 K C 1.657 178.301 176.600 0.074 0.000 1.050 1262 K CA 1.098 57.419 56.287 0.057 0.000 0.942 1262 K CB 0.123 32.671 32.500 0.080 0.000 0.724 1262 K HN 0.133 nan 8.250 nan 0.000 0.446 1263 I N 0.800 121.407 120.570 0.062 0.000 2.876 1263 I HA -0.161 4.011 4.170 0.003 0.000 0.264 1263 I C 2.377 178.540 176.117 0.076 0.000 1.204 1263 I CA 0.604 61.955 61.300 0.084 0.000 1.485 1263 I CB -0.055 37.924 38.000 -0.035 0.000 1.103 1263 I HN 0.168 nan 8.210 nan 0.000 0.446 1264 E N 1.975 122.197 120.200 0.037 0.000 2.058 1264 E HA -0.243 4.109 4.350 0.003 0.000 0.194 1264 E C 1.787 178.419 176.600 0.053 0.000 0.997 1264 E CA 1.870 58.290 56.400 0.033 0.000 0.801 1264 E CB -0.157 29.549 29.700 0.010 0.000 0.746 1264 E HN 0.367 nan 8.360 nan 0.000 0.450 1265 N N -0.296 118.436 118.700 0.052 0.000 2.109 1265 N HA -0.077 4.665 4.740 0.003 0.000 0.188 1265 N C 1.784 177.338 175.510 0.073 0.000 1.034 1265 N CA 1.905 54.986 53.050 0.052 0.000 0.846 1265 N CB -0.839 37.671 38.487 0.040 0.000 1.010 1265 N HN 0.244 nan 8.380 nan 0.000 0.425 1266 T N 1.678 116.291 114.554 0.099 0.000 2.896 1266 T HA -0.092 4.259 4.350 0.003 0.000 0.270 1266 T C 1.778 176.555 174.700 0.129 0.000 1.104 1266 T CA 0.920 63.087 62.100 0.111 0.000 1.115 1266 T CB -0.056 68.912 68.868 0.166 0.000 0.843 1266 T HN 0.247 nan 8.240 nan 0.000 0.523 1267 M N -0.368 119.327 119.600 0.160 0.000 2.501 1267 M HA 0.221 4.703 4.480 0.003 0.000 0.261 1267 M C 1.624 177.968 176.300 0.073 0.000 1.129 1267 M CA 0.861 56.255 55.300 0.156 0.000 1.126 1267 M CB 0.044 32.745 32.600 0.167 0.000 1.359 1267 M HN 0.262 nan 8.290 nan 0.000 0.471 1268 L N -1.012 120.244 121.223 0.055 0.000 2.463 1268 L HA 0.017 4.359 4.340 0.003 0.000 0.219 1268 L C 1.228 178.113 176.870 0.025 0.000 1.088 1268 L CA 0.670 55.529 54.840 0.032 0.000 0.849 1268 L CB 0.106 42.182 42.059 0.030 0.000 1.012 1268 L HN 0.262 nan 8.230 nan 0.000 0.468 1269 E N -1.430 118.790 120.200 0.032 0.000 2.603 1269 E HA 0.109 4.461 4.350 0.003 0.000 0.224 1269 E C 0.634 177.258 176.600 0.041 0.000 0.896 1269 E CA -0.128 56.295 56.400 0.038 0.000 1.224 1269 E CB 0.565 30.288 29.700 0.037 0.000 1.206 1269 E HN 0.225 nan 8.360 nan 0.000 0.576 1270 N N 0.717 119.430 118.700 0.022 0.000 2.203 1270 N HA 0.217 4.959 4.740 0.003 0.000 0.207 1270 N C -0.427 175.071 175.510 -0.020 0.000 1.130 1270 N CA 0.218 53.270 53.050 0.004 0.000 0.861 1270 N CB 1.365 39.842 38.487 -0.015 0.000 1.005 1270 N HN 0.131 nan 8.380 nan 0.000 0.507 1271 I N 1.057 121.617 120.570 -0.017 0.000 2.406 1271 I HA 0.189 4.361 4.170 0.003 0.000 0.290 1271 I C -0.496 175.590 176.117 -0.052 0.000 0.999 1271 I CA -0.157 61.117 61.300 -0.045 0.000 1.124 1271 I CB 1.663 39.633 38.000 -0.049 0.000 1.289 1271 I HN -0.193 nan 8.210 nan 0.000 0.441 1272 T N 6.741 121.263 114.554 -0.054 0.000 2.918 1272 T HA 0.433 4.785 4.350 0.003 0.000 0.286 1272 T C 0.439 175.074 174.700 -0.109 0.000 1.026 1272 T CA -0.487 61.547 62.100 -0.110 0.000 1.031 1272 T CB 2.387 71.270 68.868 0.026 0.000 1.046 1272 T HN 0.290 nan 8.240 nan 0.000 0.479 1273 L N 0.826 121.961 121.223 -0.146 0.000 2.546 1273 L HA 0.468 4.810 4.340 0.003 0.000 0.182 1273 L C 1.011 177.832 176.870 -0.081 0.000 1.167 1273 L CA 0.828 55.603 54.840 -0.109 0.000 0.845 1273 L CB -0.108 41.880 42.059 -0.119 0.000 1.134 1273 L HN 0.420 nan 8.230 nan 0.000 0.500 1274 R N -0.399 120.052 120.500 -0.082 0.000 2.467 1274 R HA 0.552 4.894 4.340 0.003 0.000 0.299 1274 R C -0.938 175.351 176.300 -0.017 0.000 1.120 1274 R CA 0.164 56.236 56.100 -0.046 0.000 0.940 1274 R CB 0.890 31.160 30.300 -0.051 0.000 1.161 1274 R HN 0.373 nan 8.270 nan 0.000 0.506 1275 G N 0.822 109.628 108.800 0.010 0.000 2.359 1275 G HA2 0.170 4.132 3.960 0.003 0.000 0.293 1275 G HA3 0.170 4.132 3.960 0.003 0.000 0.293 1275 G C -1.860 173.105 174.900 0.108 0.000 1.300 1275 G CA -0.688 44.450 45.100 0.063 0.000 0.888 1275 G HN 0.288 nan 8.290 nan 0.000 0.541 1276 V N 0.431 120.418 119.914 0.122 0.000 2.656 1276 V HA 0.621 4.743 4.120 0.003 0.000 0.307 1276 V C 0.570 176.671 176.094 0.011 0.000 1.051 1276 V CA -0.518 61.825 62.300 0.072 0.000 0.893 1276 V CB 1.414 33.253 31.823 0.027 0.000 0.999 1276 V HN 1.223 nan 8.190 nan 0.000 0.426 1277 E N 3.804 123.949 120.200 -0.092 0.000 2.485 1277 E HA -0.036 4.316 4.350 0.003 0.000 0.266 1277 E C 0.501 176.949 176.600 -0.253 0.000 1.090 1277 E CA 0.424 56.628 56.400 -0.327 0.000 0.987 1277 E CB 0.072 29.644 29.700 -0.213 0.000 0.974 1277 E HN 0.671 nan 8.360 nan 0.000 0.455 1278 N N -0.231 118.279 118.700 -0.317 0.000 2.282 1278 N HA -0.261 4.481 4.740 0.003 0.000 0.222 1278 N C 0.057 175.503 175.510 -0.107 0.000 0.937 1278 N CA 2.001 54.950 53.050 -0.169 0.000 2.775 1278 N CB -1.418 37.008 38.487 -0.101 0.000 0.817 1278 N HN 0.625 nan 8.380 nan 0.000 0.463 1279 I N 3.093 123.614 120.570 -0.080 0.000 2.574 1279 I HA -0.055 4.116 4.170 0.003 0.000 0.291 1279 I C 1.373 177.505 176.117 0.025 0.000 1.131 1279 I CA 0.704 61.994 61.300 -0.017 0.000 1.352 1279 I CB 0.093 38.096 38.000 0.005 0.000 1.431 1279 I HN 0.192 nan 8.210 nan 0.000 0.543 1280 E N 6.234 126.448 120.200 0.023 0.000 3.363 1280 E HA 0.313 4.665 4.350 0.003 0.000 0.481 1280 E C 0.239 176.862 176.600 0.039 0.000 0.318 1280 E CA -0.882 55.547 56.400 0.049 0.000 2.823 1280 E CB 0.298 30.016 29.700 0.029 0.000 2.283 1280 E HN 0.461 nan 8.360 nan 0.000 0.441 1281 R N 0.240 120.743 120.500 0.004 0.000 2.531 1281 R HA -0.032 4.310 4.340 0.003 0.000 0.273 1281 R C -0.836 175.479 176.300 0.024 0.000 0.974 1281 R CA 0.311 56.393 56.100 -0.031 0.000 1.088 1281 R CB -0.092 30.161 30.300 -0.077 0.000 0.880 1281 R HN 0.114 nan 8.270 nan 0.000 0.426 1282 V N 2.544 122.500 119.914 0.071 0.000 2.697 1282 V HA 0.256 4.378 4.120 0.003 0.000 0.300 1282 V C -0.392 175.798 176.094 0.160 0.000 1.115 1282 V CA -0.782 61.578 62.300 0.101 0.000 0.912 1282 V CB 2.030 33.914 31.823 0.102 0.000 1.024 1282 V HN 0.505 nan 8.190 nan 0.000 0.431 1283 V N 4.616 124.593 119.914 0.105 0.000 3.019 1283 V HA 0.625 4.747 4.120 0.003 0.000 0.317 1283 V C -0.049 176.094 176.094 0.082 0.000 1.094 1283 V CA -0.820 61.552 62.300 0.121 0.000 1.000 1283 V CB 2.265 34.145 31.823 0.095 0.000 1.060 1283 V HN 0.800 nan 8.190 nan 0.000 0.443 1284 M N 2.761 122.428 119.600 0.111 0.000 2.598 1284 M HA 0.700 5.182 4.480 0.003 0.000 0.317 1284 M C -1.022 175.374 176.300 0.161 0.000 1.201 1284 M CA -0.457 54.937 55.300 0.156 0.000 0.971 1284 M CB 1.905 34.645 32.600 0.232 0.000 1.657 1284 M HN 0.390 nan 8.290 nan 0.000 0.470 1285 M N 1.498 121.142 119.600 0.074 0.000 2.414 1285 M HA 0.297 4.779 4.480 0.003 0.000 0.287 1285 M C -1.291 174.714 176.300 -0.492 0.000 1.181 1285 M CA -0.558 54.630 55.300 -0.186 0.000 0.933 1285 M CB 2.381 34.799 32.600 -0.305 0.000 1.732 1285 M HN 0.562 nan 8.290 nan 0.000 0.486 1286 K N 2.653 122.684 120.400 -0.614 0.000 2.231 1286 K HA 0.402 4.724 4.320 0.003 0.000 0.255 1286 K C -1.008 175.473 176.600 -0.199 0.000 1.108 1286 K CA -0.039 55.792 56.287 -0.759 0.000 0.997 1286 K CB 0.380 32.288 32.500 -0.986 0.000 1.549 1286 K HN 0.555 nan 8.250 nan 0.000 0.419 1287 Y N 0.767 120.947 120.300 -0.200 0.000 2.281 1287 Y HA 0.031 4.583 4.550 0.003 0.000 0.337 1287 Y C 0.684 176.547 175.900 -0.062 0.000 1.304 1287 Y CA -0.946 57.105 58.100 -0.080 0.000 1.465 1287 Y CB 0.817 39.281 38.460 0.006 0.000 1.350 1287 Y HN 0.365 nan 8.280 nan 0.000 0.575 1288 D N 2.146 122.624 120.400 0.129 0.000 2.373 1288 D HA 0.179 4.821 4.640 0.003 0.000 0.227 1288 D C -0.593 175.754 176.300 0.079 0.000 1.091 1288 D CA -0.231 53.808 54.000 0.064 0.000 0.840 1288 D CB 1.213 42.027 40.800 0.024 0.000 1.060 1288 D HN 0.330 nan 8.370 nan 0.000 0.502 1289 R N 2.852 123.405 120.500 0.088 0.000 2.435 1289 R HA 0.212 4.554 4.340 0.003 0.000 0.308 1289 R C -0.486 175.865 176.300 0.084 0.000 0.975 1289 R CA -0.667 55.488 56.100 0.092 0.000 0.867 1289 R CB 1.138 31.503 30.300 0.108 0.000 1.171 1289 R HN 0.179 nan 8.270 nan 0.000 0.470 1290 K N 2.427 122.892 120.400 0.109 0.000 2.270 1290 K HA 0.366 4.688 4.320 0.003 0.000 0.276 1290 K C -0.699 176.001 176.600 0.167 0.000 1.023 1290 K CA -0.343 56.042 56.287 0.163 0.000 0.955 1290 K CB 1.666 34.303 32.500 0.228 0.000 0.975 1290 K HN 0.231 nan 8.250 nan 0.000 0.471 1291 V N 3.318 123.273 119.914 0.069 0.000 3.204 1291 V HA 0.187 4.309 4.120 0.003 0.000 0.298 1291 V C -2.608 173.241 176.094 -0.408 0.000 1.328 1291 V CA -2.065 60.141 62.300 -0.157 0.000 1.035 1291 V CB 2.513 34.285 31.823 -0.084 0.000 1.095 1291 V HN 0.601 nan 8.190 nan 0.000 0.442 1292 P HA 0.097 nan 4.420 nan 0.000 0.258 1292 P C -0.194 176.955 177.300 -0.250 0.000 1.214 1292 P CA 0.712 63.508 63.100 -0.507 0.000 0.872 1292 P CB 0.234 31.695 31.700 -0.398 0.000 0.890 1293 S N 5.309 120.896 115.700 -0.187 0.000 2.580 1293 S HA 0.097 4.569 4.470 0.003 0.000 0.266 1293 S C -0.685 173.863 174.600 -0.087 0.000 1.354 1293 S CA -1.171 56.971 58.200 -0.096 0.000 1.008 1293 S CB -0.100 63.068 63.200 -0.052 0.000 0.898 1293 S HN 0.333 nan 8.310 nan 0.000 0.555 1294 P HA -0.062 nan 4.420 nan 0.000 0.219 1294 P C 1.422 178.698 177.300 -0.040 0.000 1.150 1294 P CA 1.279 64.349 63.100 -0.049 0.000 0.814 1294 P CB -0.374 31.306 31.700 -0.033 0.000 0.787 1295 T N -2.428 112.109 114.554 -0.029 0.000 2.962 1295 T HA 0.110 4.462 4.350 0.003 0.000 0.270 1295 T C 1.485 176.176 174.700 -0.014 0.000 1.088 1295 T CA 2.128 64.221 62.100 -0.013 0.000 1.127 1295 T CB -0.654 68.214 68.868 0.000 0.000 0.883 1295 T HN 0.321 nan 8.240 nan 0.000 0.493 1296 G N 0.316 109.093 108.800 -0.037 0.000 2.541 1296 G HA2 -0.147 3.815 3.960 0.003 0.000 0.201 1296 G HA3 -0.147 3.815 3.960 0.003 0.000 0.201 1296 G C -0.009 174.880 174.900 -0.018 0.000 1.026 1296 G CA -0.021 45.055 45.100 -0.040 0.000 0.687 1296 G HN 0.636 nan 8.290 nan 0.000 0.492 1297 E N -0.374 119.834 120.200 0.013 0.000 2.478 1297 E HA 0.347 4.699 4.350 0.003 0.000 0.262 1297 E C -0.671 175.961 176.600 0.053 0.000 1.243 1297 E CA 0.180 56.619 56.400 0.066 0.000 1.039 1297 E CB 0.521 30.252 29.700 0.051 0.000 0.983 1297 E HN 0.341 nan 8.360 nan 0.000 0.479 1298 Y N -0.324 119.978 120.300 0.003 0.000 2.335 1298 Y HA 0.371 4.923 4.550 0.003 0.000 0.338 1298 Y C -0.466 175.437 175.900 0.006 0.000 0.977 1298 Y CA -0.533 57.569 58.100 0.003 0.000 1.114 1298 Y CB 1.383 39.847 38.460 0.008 0.000 1.182 1298 Y HN 0.158 nan 8.280 nan 0.000 0.463 1299 V N 2.940 122.905 119.914 0.086 0.000 3.102 1299 V HA 0.388 4.510 4.120 0.003 0.000 0.312 1299 V C -0.938 175.194 176.094 0.064 0.000 1.135 1299 V CA -1.905 60.437 62.300 0.069 0.000 1.022 1299 V CB 2.227 34.067 31.823 0.028 0.000 1.056 1299 V HN 0.530 nan 8.190 nan 0.000 0.436 1300 K N 1.899 122.331 120.400 0.053 0.000 2.167 1300 K HA 0.208 4.530 4.320 0.003 0.000 0.275 1300 K C -0.057 176.562 176.600 0.032 0.000 1.103 1300 K CA 0.219 56.533 56.287 0.045 0.000 0.963 1300 K CB 0.345 32.867 32.500 0.035 0.000 1.243 1300 K HN 0.653 nan 8.250 nan 0.000 0.407 1301 E N 4.918 125.137 120.200 0.032 0.000 2.490 1301 E HA 0.111 4.463 4.350 0.003 0.000 0.232 1301 E C -2.034 174.584 176.600 0.031 0.000 1.091 1301 E CA -2.306 54.109 56.400 0.025 0.000 1.050 1301 E CB 0.416 30.126 29.700 0.015 0.000 1.342 1301 E HN 0.335 nan 8.360 nan 0.000 0.454 1302 P HA -0.121 nan 4.420 nan 0.000 0.270 1302 P C -0.713 176.585 177.300 -0.004 0.000 1.216 1302 P CA 0.600 63.697 63.100 -0.005 0.000 0.788 1302 P CB 0.565 32.232 31.700 -0.056 0.000 0.883 1303 E N -0.934 119.245 120.200 -0.034 0.000 2.392 1303 E HA 0.442 4.794 4.350 0.003 0.000 0.279 1303 E C -1.540 174.996 176.600 -0.107 0.000 0.964 1303 E CA -0.983 55.425 56.400 0.013 0.000 0.777 1303 E CB 0.513 30.284 29.700 0.119 0.000 1.249 1303 E HN 0.267 nan 8.360 nan 0.000 0.449 1304 W N 1.241 122.546 121.300 0.008 0.000 2.303 1304 W HA 0.573 5.235 4.660 0.003 0.000 0.334 1304 W C -0.524 175.929 176.519 -0.111 0.000 1.197 1304 W CA -0.117 57.190 57.345 -0.063 0.000 1.262 1304 W CB 1.571 31.007 29.460 -0.040 0.000 1.153 1304 W HN 0.334 nan 8.180 nan 0.000 0.596 1305 V N 3.126 123.033 119.914 -0.011 0.000 3.120 1305 V HA 0.388 4.510 4.120 0.003 0.000 0.303 1305 V C -0.534 175.465 176.094 -0.160 0.000 1.238 1305 V CA -1.324 60.874 62.300 -0.169 0.000 1.008 1305 V CB 1.778 33.318 31.823 -0.471 0.000 1.064 1305 V HN 0.301 nan 8.190 nan 0.000 0.434 1306 L N 2.167 123.315 121.223 -0.124 0.000 2.322 1306 L HA 0.649 4.991 4.340 0.003 0.000 0.279 1306 L C -0.073 176.747 176.870 -0.083 0.000 1.036 1306 L CA -0.417 54.383 54.840 -0.067 0.000 0.807 1306 L CB 1.448 43.493 42.059 -0.024 0.000 1.226 1306 L HN 0.625 nan 8.230 nan 0.000 0.433 1307 E N 1.138 121.320 120.200 -0.030 0.000 2.187 1307 E HA 0.311 4.662 4.350 0.003 0.000 0.268 1307 E C -0.676 175.933 176.600 0.016 0.000 0.896 1307 E CA -0.378 56.022 56.400 -0.000 0.000 0.766 1307 E CB 2.746 32.466 29.700 0.034 0.000 1.142 1307 E HN 0.524 nan 8.360 nan 0.000 0.408 1308 T N 0.604 115.166 114.554 0.014 0.000 2.914 1308 T HA 0.128 4.480 4.350 0.003 0.000 0.313 1308 T C -0.136 174.572 174.700 0.015 0.000 1.137 1308 T CA -0.003 62.107 62.100 0.015 0.000 0.946 1308 T CB 0.384 69.257 68.868 0.008 0.000 1.558 1308 T HN 0.440 nan 8.240 nan 0.000 0.565 1309 D N -0.564 119.841 120.400 0.009 0.000 3.486 1309 D HA 0.282 4.924 4.640 0.003 0.000 0.294 1309 D C -0.316 175.984 176.300 -0.000 0.000 1.593 1309 D CA 0.003 54.006 54.000 0.005 0.000 0.776 1309 D CB 0.116 40.917 40.800 0.001 0.000 1.353 1309 D HN 0.750 nan 8.370 nan 0.000 0.608 1310 G N -0.672 108.126 108.800 -0.003 0.000 2.506 1310 G HA2 0.479 4.441 3.960 0.003 0.000 0.292 1310 G HA3 0.479 4.441 3.960 0.003 0.000 0.292 1310 G C -1.763 173.128 174.900 -0.014 0.000 1.425 1310 G CA -0.360 44.732 45.100 -0.013 0.000 0.788 1310 G HN -0.039 nan 8.290 nan 0.000 0.490 1311 V N 1.683 121.585 119.914 -0.020 0.000 2.509 1311 V HA 0.528 4.650 4.120 0.003 0.000 0.289 1311 V C -0.843 175.238 176.094 -0.022 0.000 1.026 1311 V CA -0.926 61.363 62.300 -0.019 0.000 0.872 1311 V CB 1.650 33.463 31.823 -0.016 0.000 1.017 1311 V HN 0.737 nan 8.190 nan 0.000 0.436 1312 N N 4.290 122.979 118.700 -0.019 0.000 2.725 1312 N HA 0.175 4.917 4.740 0.003 0.000 0.248 1312 N C 0.414 175.920 175.510 -0.006 0.000 1.402 1312 N CA -0.364 52.676 53.050 -0.017 0.000 0.766 1312 N CB 1.633 40.105 38.487 -0.026 0.000 1.223 1312 N HN 0.550 nan 8.380 nan 0.000 0.515 1313 L N 2.959 124.180 121.223 -0.003 0.000 1.955 1313 L HA -0.126 4.216 4.340 0.003 0.000 0.213 1313 L C 2.244 179.121 176.870 0.013 0.000 1.072 1313 L CA 2.418 57.263 54.840 0.008 0.000 0.755 1313 L CB -1.095 40.969 42.059 0.009 0.000 0.888 1313 L HN 0.584 nan 8.230 nan 0.000 0.432 1314 S N -1.572 114.133 115.700 0.009 0.000 2.478 1314 S HA -0.263 4.209 4.470 0.003 0.000 0.256 1314 S C 1.449 176.055 174.600 0.011 0.000 1.003 1314 S CA 1.832 60.038 58.200 0.011 0.000 0.976 1314 S CB -0.669 62.534 63.200 0.005 0.000 0.751 1314 S HN 0.769 nan 8.310 nan 0.000 0.513 1315 E N -0.184 120.021 120.200 0.009 0.000 2.444 1315 E HA 0.136 4.488 4.350 0.003 0.000 0.203 1315 E C 1.768 178.377 176.600 0.015 0.000 0.847 1315 E CA 0.570 56.976 56.400 0.010 0.000 1.142 1315 E CB 0.063 29.765 29.700 0.004 0.000 1.125 1315 E HN 0.357 nan 8.360 nan 0.000 0.521 1316 V N 2.189 122.113 119.914 0.016 0.000 2.688 1316 V HA -0.239 3.883 4.120 0.003 0.000 0.256 1316 V C 2.319 178.432 176.094 0.030 0.000 1.084 1316 V CA 1.439 63.752 62.300 0.021 0.000 1.103 1316 V CB -0.498 31.337 31.823 0.021 0.000 0.688 1316 V HN 0.303 nan 8.190 nan 0.000 0.480 1317 M N 1.080 120.700 119.600 0.032 0.000 2.156 1317 M HA -0.111 4.371 4.480 0.003 0.000 0.264 1317 M C 2.043 178.365 176.300 0.037 0.000 1.067 1317 M CA 2.107 57.431 55.300 0.041 0.000 1.131 1317 M CB -0.241 32.383 32.600 0.040 0.000 1.368 1317 M HN 0.572 nan 8.290 nan 0.000 0.416 1318 T N -0.848 113.722 114.554 0.027 0.000 3.509 1318 T HA 0.225 4.577 4.350 0.003 0.000 0.250 1318 T C 0.005 174.718 174.700 0.022 0.000 1.076 1318 T CA -0.378 61.736 62.100 0.023 0.000 0.966 1318 T CB -1.019 67.859 68.868 0.018 0.000 1.046 1318 T HN 0.056 nan 8.240 nan 0.000 0.591 1319 V N 3.304 123.233 119.914 0.025 0.000 2.612 1319 V HA 0.500 4.622 4.120 0.003 0.000 0.301 1319 V C -1.990 174.118 176.094 0.023 0.000 1.046 1319 V CA -2.222 60.091 62.300 0.021 0.000 0.946 1319 V CB 1.826 33.661 31.823 0.020 0.000 1.003 1319 V HN 0.402 nan 8.190 nan 0.000 0.459 1320 P HA 0.361 nan 4.420 nan 0.000 0.281 1320 P C 0.516 177.820 177.300 0.008 0.000 1.252 1320 P CA 0.564 63.672 63.100 0.012 0.000 0.778 1320 P CB 1.349 33.049 31.700 0.001 0.000 0.895 1321 G N 2.965 111.778 108.800 0.022 0.000 2.316 1321 G HA2 -0.161 3.801 3.960 0.003 0.000 0.203 1321 G HA3 -0.161 3.801 3.960 0.003 0.000 0.203 1321 G C 0.105 175.044 174.900 0.065 0.000 0.999 1321 G CA 0.107 45.219 45.100 0.020 0.000 0.649 1321 G HN 0.684 nan 8.290 nan 0.000 0.489 1322 I N -1.647 118.965 120.570 0.070 0.000 2.822 1322 I HA 0.750 4.922 4.170 0.003 0.000 0.312 1322 I C -0.799 175.382 176.117 0.107 0.000 1.011 1322 I CA -1.119 60.239 61.300 0.097 0.000 1.105 1322 I CB 1.804 39.857 38.000 0.088 0.000 1.291 1322 I HN -0.087 nan 8.210 nan 0.000 0.474 1323 D N 4.967 125.449 120.400 0.135 0.000 2.479 1323 D HA 0.244 4.886 4.640 0.003 0.000 0.218 1323 D C -1.865 174.503 176.300 0.113 0.000 1.131 1323 D CA -1.869 52.200 54.000 0.113 0.000 0.916 1323 D CB 1.000 41.868 40.800 0.114 0.000 1.022 1323 D HN 0.394 nan 8.370 nan 0.000 0.515 1324 P HA 0.023 nan 4.420 nan 0.000 0.279 1324 P C 0.564 177.907 177.300 0.072 0.000 1.451 1324 P CA 0.205 63.354 63.100 0.081 0.000 0.783 1324 P CB 0.353 32.090 31.700 0.061 0.000 1.490 1325 T N -0.880 113.717 114.554 0.070 0.000 2.964 1325 T HA 0.186 4.538 4.350 0.003 0.000 0.250 1325 T C 1.512 176.241 174.700 0.048 0.000 0.982 1325 T CA 0.208 62.335 62.100 0.045 0.000 0.959 1325 T CB 0.330 69.208 68.868 0.015 0.000 1.141 1325 T HN 0.186 nan 8.240 nan 0.000 0.494 1326 R N 0.410 120.951 120.500 0.070 0.000 2.437 1326 R HA 0.433 4.775 4.340 0.003 0.000 0.257 1326 R C 0.566 177.047 176.300 0.301 0.000 0.927 1326 R CA -0.206 55.922 56.100 0.047 0.000 1.078 1326 R CB 0.611 30.777 30.300 -0.223 0.000 1.161 1326 R HN 0.318 nan 8.270 nan 0.000 0.529 1327 I N 1.607 122.358 120.570 0.302 0.000 2.775 1327 I HA -0.134 4.038 4.170 0.003 0.000 0.290 1327 I C -0.968 175.362 176.117 0.355 0.000 1.203 1327 I CA 0.543 62.035 61.300 0.319 0.000 1.433 1327 I CB 0.257 38.370 38.000 0.187 0.000 1.354 1327 I HN 0.042 nan 8.210 nan 0.000 0.579 1328 Y N 6.078 126.496 120.300 0.196 0.000 2.433 1328 Y HA 0.409 4.961 4.550 0.003 0.000 0.337 1328 Y C -0.855 175.115 175.900 0.116 0.000 1.026 1328 Y CA -0.573 57.623 58.100 0.161 0.000 1.037 1328 Y CB 1.763 40.346 38.460 0.204 0.000 1.245 1328 Y HN 0.515 nan 8.280 nan 0.000 0.443 1329 T N 5.001 119.183 114.554 -0.619 0.000 2.885 1329 T HA 0.174 4.526 4.350 0.003 0.000 0.285 1329 T C 0.646 174.863 174.700 -0.805 0.000 1.019 1329 T CA -0.648 61.162 62.100 -0.483 0.000 1.010 1329 T CB 0.943 69.690 68.868 -0.202 0.000 1.022 1329 T HN 0.756 nan 8.240 nan 0.000 0.466 1330 N N 0.616 119.064 118.700 -0.421 0.000 2.446 1330 N HA -0.020 4.722 4.740 0.003 0.000 0.179 1330 N C 0.811 176.292 175.510 -0.050 0.000 1.054 1330 N CA 0.069 52.962 53.050 -0.261 0.000 0.905 1330 N CB 0.161 38.613 38.487 -0.059 0.000 0.973 1330 N HN 0.333 nan 8.380 nan 0.000 0.448 1331 S N 0.789 116.494 115.700 0.008 0.000 3.065 1331 S HA 0.114 4.586 4.470 0.003 0.000 0.311 1331 S C 0.794 175.560 174.600 0.276 0.000 1.204 1331 S CA -0.913 57.407 58.200 0.201 0.000 1.040 1331 S CB -1.194 62.058 63.200 0.085 0.000 1.436 1331 S HN 0.390 nan 8.310 nan 0.000 0.532 1332 F N 2.915 122.849 119.950 -0.026 0.000 2.202 1332 F HA -0.075 4.454 4.527 0.003 0.000 0.301 1332 F C 1.828 177.638 175.800 0.016 0.000 1.082 1332 F CA 0.122 58.130 58.000 0.013 0.000 1.313 1332 F CB -0.419 38.617 39.000 0.058 0.000 1.024 1332 F HN 0.423 nan 8.300 nan 0.000 0.495 1333 I N 2.040 122.417 120.570 -0.322 0.000 2.151 1333 I HA -0.300 3.872 4.170 0.003 0.000 0.243 1333 I C 2.131 178.182 176.117 -0.109 0.000 1.080 1333 I CA 1.896 62.994 61.300 -0.336 0.000 1.339 1333 I CB -0.854 36.963 38.000 -0.305 0.000 1.039 1333 I HN 0.285 nan 8.210 nan 0.000 0.409 1334 D N 0.519 120.895 120.400 -0.040 0.000 2.075 1334 D HA -0.131 4.511 4.640 0.003 0.000 0.196 1334 D C 2.177 178.484 176.300 0.013 0.000 0.985 1334 D CA 1.071 55.063 54.000 -0.013 0.000 0.834 1334 D CB -0.257 40.539 40.800 -0.007 0.000 0.987 1334 D HN 0.302 nan 8.370 nan 0.000 0.452 1335 I N 1.250 121.844 120.570 0.040 0.000 2.707 1335 I HA -0.244 3.928 4.170 0.003 0.000 0.266 1335 I C 2.214 178.378 176.117 0.079 0.000 1.215 1335 I CA 0.660 62.001 61.300 0.069 0.000 1.442 1335 I CB -0.128 37.934 38.000 0.104 0.000 1.108 1335 I HN 0.110 nan 8.210 nan 0.000 0.464 1336 M N -0.088 119.544 119.600 0.053 0.000 2.567 1336 M HA -0.022 4.460 4.480 0.003 0.000 0.261 1336 M C 1.694 178.008 176.300 0.022 0.000 1.180 1336 M CA 1.269 56.595 55.300 0.044 0.000 1.143 1336 M CB 0.046 32.661 32.600 0.025 0.000 1.319 1336 M HN 0.141 nan 8.290 nan 0.000 0.490 1337 E N -0.214 119.990 120.200 0.006 0.000 2.216 1337 E HA -0.069 4.283 4.350 0.003 0.000 0.192 1337 E C 1.864 178.470 176.600 0.011 0.000 0.988 1337 E CA 0.889 57.289 56.400 0.001 0.000 0.834 1337 E CB 0.405 30.098 29.700 -0.011 0.000 0.772 1337 E HN 0.358 nan 8.360 nan 0.000 0.479 1338 V N 0.689 120.615 119.914 0.019 0.000 2.502 1338 V HA -0.085 4.037 4.120 0.003 0.000 0.234 1338 V C 2.144 178.258 176.094 0.033 0.000 1.072 1338 V CA 0.604 62.918 62.300 0.024 0.000 1.094 1338 V CB -0.399 31.440 31.823 0.026 0.000 0.761 1338 V HN 0.165 nan 8.190 nan 0.000 0.489 1339 L N 0.613 121.863 121.223 0.045 0.000 2.141 1339 L HA 0.254 4.596 4.340 0.003 0.000 0.209 1339 L C 1.079 177.978 176.870 0.048 0.000 1.094 1339 L CA 1.269 56.140 54.840 0.052 0.000 0.763 1339 L CB -0.613 41.491 42.059 0.074 0.000 0.908 1339 L HN 0.657 nan 8.230 nan 0.000 0.437 1340 G N -0.523 108.306 108.800 0.047 0.000 3.367 1340 G HA2 -0.160 3.802 3.960 0.003 0.000 0.686 1340 G HA3 -0.160 3.802 3.960 0.003 0.000 0.686 1340 G C 0.322 175.254 174.900 0.053 0.000 1.146 1340 G CA -0.201 44.925 45.100 0.043 0.000 0.913 1340 G HN 0.103 nan 8.290 nan 0.000 0.554 1341 I N 0.495 121.094 120.570 0.050 0.000 3.052 1341 I HA -0.387 3.785 4.170 0.003 0.000 0.209 1341 I C 2.514 178.674 176.117 0.071 0.000 0.835 1341 I CA 2.744 64.079 61.300 0.058 0.000 1.156 1341 I CB 0.088 38.117 38.000 0.049 0.000 0.899 1341 I HN 0.786 nan 8.210 nan 0.000 0.353 1342 E N 0.451 120.687 120.200 0.060 0.000 2.097 1342 E HA -0.274 4.078 4.350 0.003 0.000 0.196 1342 E C 2.070 178.710 176.600 0.068 0.000 1.000 1342 E CA 1.708 58.143 56.400 0.059 0.000 0.804 1342 E CB -0.373 29.354 29.700 0.045 0.000 0.740 1342 E HN 0.753 nan 8.360 nan 0.000 0.454 1343 A N 0.615 123.478 122.820 0.072 0.000 1.929 1343 A HA -0.018 4.304 4.320 0.003 0.000 0.216 1343 A C 2.470 180.132 177.584 0.130 0.000 1.176 1343 A CA 1.712 53.803 52.037 0.090 0.000 0.628 1343 A CB -0.923 18.130 19.000 0.088 0.000 0.816 1343 A HN 0.337 nan 8.150 nan 0.000 0.444 1344 G N -0.299 108.579 108.800 0.130 0.000 2.491 1344 G HA2 -0.311 3.651 3.960 0.003 0.000 0.218 1344 G HA3 -0.311 3.651 3.960 0.003 0.000 0.218 1344 G C 1.737 176.759 174.900 0.204 0.000 1.180 1344 G CA 1.126 46.330 45.100 0.173 0.000 0.774 1344 G HN 0.532 nan 8.290 nan 0.000 0.562 1345 R N 0.616 121.210 120.500 0.157 0.000 2.115 1345 R HA -0.188 4.154 4.340 0.003 0.000 0.239 1345 R C 2.901 179.308 176.300 0.179 0.000 1.133 1345 R CA 1.954 58.149 56.100 0.157 0.000 0.935 1345 R CB -0.687 29.675 30.300 0.104 0.000 0.853 1345 R HN 0.296 nan 8.270 nan 0.000 0.433 1346 A N 0.184 123.088 122.820 0.140 0.000 2.009 1346 A HA -0.235 4.087 4.320 0.003 0.000 0.222 1346 A C 2.244 179.954 177.584 0.211 0.000 1.175 1346 A CA 2.178 54.297 52.037 0.136 0.000 0.651 1346 A CB -0.644 18.407 19.000 0.086 0.000 0.815 1346 A HN 0.639 nan 8.150 nan 0.000 0.459 1347 A N -0.745 122.224 122.820 0.248 0.000 1.850 1347 A HA 0.189 4.511 4.320 0.003 0.000 0.212 1347 A C 2.051 179.752 177.584 0.197 0.000 1.208 1347 A CA 1.314 53.538 52.037 0.312 0.000 0.609 1347 A CB -0.751 18.477 19.000 0.381 0.000 0.860 1347 A HN 0.861 nan 8.150 nan 0.000 0.448 1348 L N -0.865 120.478 121.223 0.201 0.000 2.021 1348 L HA -0.248 4.094 4.340 0.003 0.000 0.215 1348 L C 2.240 179.127 176.870 0.027 0.000 1.074 1348 L CA 2.872 57.753 54.840 0.067 0.000 0.760 1348 L CB -1.249 40.992 42.059 0.303 0.000 0.889 1348 L HN 0.551 nan 8.230 nan 0.000 0.433 1349 Y N 0.555 120.871 120.300 0.028 0.000 2.036 1349 Y HA -0.322 4.230 4.550 0.003 0.000 0.273 1349 Y C 2.816 178.742 175.900 0.044 0.000 1.135 1349 Y CA 2.624 60.730 58.100 0.010 0.000 1.106 1349 Y CB -0.557 37.889 38.460 -0.023 0.000 0.976 1349 Y HN 0.270 nan 8.280 nan 0.000 0.483 1350 K N -0.138 120.398 120.400 0.227 0.000 2.097 1350 K HA -0.369 3.953 4.320 0.003 0.000 0.214 1350 K C 2.091 178.710 176.600 0.031 0.000 1.052 1350 K CA 2.293 58.657 56.287 0.127 0.000 0.932 1350 K CB -0.322 32.247 32.500 0.115 0.000 0.716 1350 K HN 0.390 nan 8.250 nan 0.000 0.455 1351 E N 0.144 120.343 120.200 -0.002 0.000 2.017 1351 E HA -0.140 4.211 4.350 0.003 0.000 0.193 1351 E C 1.879 178.408 176.600 -0.119 0.000 0.997 1351 E CA 1.580 57.942 56.400 -0.064 0.000 0.804 1351 E CB -0.256 29.303 29.700 -0.236 0.000 0.757 1351 E HN 0.157 nan 8.360 nan 0.000 0.448 1352 V N 0.688 120.490 119.914 -0.186 0.000 2.317 1352 V HA -0.308 3.814 4.120 0.003 0.000 0.251 1352 V C 2.222 178.200 176.094 -0.193 0.000 1.065 1352 V CA 2.253 64.442 62.300 -0.184 0.000 1.049 1352 V CB -0.826 30.884 31.823 -0.188 0.000 0.651 1352 V HN 0.438 nan 8.190 nan 0.000 0.450 1353 Y N 1.502 121.559 120.300 -0.404 0.000 2.207 1353 Y HA -0.230 4.322 4.550 0.003 0.000 0.287 1353 Y C 2.433 178.245 175.900 -0.145 0.000 1.156 1353 Y CA 2.021 59.922 58.100 -0.332 0.000 1.182 1353 Y CB -0.401 37.798 38.460 -0.433 0.000 0.979 1353 Y HN 0.273 nan 8.280 nan 0.000 0.521 1354 N N -0.080 118.560 118.700 -0.101 0.000 2.453 1354 N HA -0.113 4.629 4.740 0.003 0.000 0.183 1354 N C 1.603 177.011 175.510 -0.170 0.000 1.041 1354 N CA 1.321 54.293 53.050 -0.131 0.000 0.900 1354 N CB 0.114 38.616 38.487 0.024 0.000 0.961 1354 N HN 0.324 nan 8.380 nan 0.000 0.443 1355 V N 0.819 120.636 119.914 -0.161 0.000 3.129 1355 V HA 0.001 4.123 4.120 0.003 0.000 0.259 1355 V C 1.908 177.915 176.094 -0.145 0.000 1.116 1355 V CA 0.838 63.062 62.300 -0.126 0.000 1.127 1355 V CB -0.053 31.708 31.823 -0.102 0.000 0.742 1355 V HN 0.223 nan 8.190 nan 0.000 0.474 1356 I N -0.035 120.408 120.570 -0.212 0.000 3.708 1356 I HA 0.141 4.313 4.170 0.003 0.000 0.302 1356 I C 2.352 178.339 176.117 -0.217 0.000 1.255 1356 I CA 0.871 62.061 61.300 -0.184 0.000 1.362 1356 I CB -0.113 37.791 38.000 -0.160 0.000 1.100 1356 I HN 0.225 nan 8.210 nan 0.000 0.434 1357 A N 0.871 123.478 122.820 -0.355 0.000 2.030 1357 A HA -0.073 4.249 4.320 0.003 0.000 0.215 1357 A C 2.352 179.835 177.584 -0.168 0.000 1.164 1357 A CA 1.141 52.985 52.037 -0.322 0.000 0.697 1357 A CB -0.436 18.222 19.000 -0.569 0.000 0.827 1357 A HN 0.424 nan 8.150 nan 0.000 0.457 1358 S N -0.414 115.199 115.700 -0.145 0.000 2.500 1358 S HA -0.111 4.361 4.470 0.003 0.000 0.239 1358 S C 1.003 175.566 174.600 -0.062 0.000 0.989 1358 S CA 1.268 59.418 58.200 -0.084 0.000 0.951 1358 S CB -0.209 62.949 63.200 -0.070 0.000 0.759 1358 S HN 0.529 nan 8.310 nan 0.000 0.523 1359 D N 0.740 121.099 120.400 -0.069 0.000 2.363 1359 D HA 0.236 4.878 4.640 0.003 0.000 0.214 1359 D C 1.251 177.530 176.300 -0.035 0.000 1.093 1359 D CA 0.548 54.520 54.000 -0.046 0.000 0.837 1359 D CB 0.383 41.154 40.800 -0.048 0.000 0.948 1359 D HN 0.560 nan 8.370 nan 0.000 0.507 1360 G N 1.199 109.974 108.800 -0.041 0.000 2.168 1360 G HA2 -0.260 3.702 3.960 0.003 0.000 0.257 1360 G HA3 -0.260 3.702 3.960 0.003 0.000 0.257 1360 G C 0.357 175.256 174.900 -0.001 0.000 0.997 1360 G CA 0.561 45.648 45.100 -0.022 0.000 0.708 1360 G HN 0.296 nan 8.290 nan 0.000 0.520 1361 S N -0.675 115.022 115.700 -0.006 0.000 2.617 1361 S HA 0.676 5.148 4.470 0.003 0.000 0.283 1361 S C -0.683 173.975 174.600 0.097 0.000 1.189 1361 S CA -0.547 57.671 58.200 0.030 0.000 1.036 1361 S CB 1.790 64.988 63.200 -0.002 0.000 1.014 1361 S HN 0.686 nan 8.310 nan 0.000 0.522 1362 Y N 1.738 122.027 120.300 -0.018 0.000 2.376 1362 Y HA 0.678 5.231 4.550 0.003 0.000 0.340 1362 Y C -1.342 174.591 175.900 0.055 0.000 0.965 1362 Y CA -1.501 56.608 58.100 0.016 0.000 1.078 1362 Y CB 0.796 39.274 38.460 0.031 0.000 1.193 1362 Y HN 0.360 nan 8.280 nan 0.000 0.452 1363 V N 6.726 126.723 119.914 0.139 0.000 2.531 1363 V HA 0.265 4.386 4.120 0.003 0.000 0.301 1363 V C -0.370 175.757 176.094 0.055 0.000 1.034 1363 V CA -1.264 61.013 62.300 -0.038 0.000 0.865 1363 V CB 1.763 33.654 31.823 0.113 0.000 0.995 1363 V HN 0.867 nan 8.190 nan 0.000 0.424 1364 N N 3.371 122.002 118.700 -0.114 0.000 2.438 1364 N HA 0.032 4.774 4.740 0.003 0.000 0.267 1364 N C 1.004 176.592 175.510 0.131 0.000 1.222 1364 N CA -0.057 53.026 53.050 0.054 0.000 0.930 1364 N CB 0.318 38.747 38.487 -0.096 0.000 1.083 1364 N HN 0.722 nan 8.380 nan 0.000 0.476 1365 Y N 5.167 125.596 120.300 0.215 0.000 1.807 1365 Y HA -0.539 4.013 4.550 0.003 0.000 0.160 1365 Y C 2.113 178.052 175.900 0.065 0.000 1.054 1365 Y CA 3.139 61.367 58.100 0.214 0.000 0.792 1365 Y CB -0.453 38.075 38.460 0.114 0.000 0.659 1365 Y HN 0.709 nan 8.280 nan 0.000 0.624 1366 R N -1.603 118.998 120.500 0.169 0.000 2.386 1366 R HA -0.362 3.980 4.340 0.003 0.000 0.252 1366 R C 1.752 178.014 176.300 -0.063 0.000 1.058 1366 R CA 2.237 58.281 56.100 -0.093 0.000 0.938 1366 R CB -1.645 28.433 30.300 -0.369 0.000 0.931 1366 R HN 0.618 nan 8.270 nan 0.000 0.455 1367 H N 0.687 119.818 119.070 0.103 0.000 2.261 1367 H HA 0.044 4.602 4.556 0.003 0.000 0.301 1367 H C 2.376 177.729 175.328 0.042 0.000 1.067 1367 H CA 1.880 57.978 56.048 0.082 0.000 1.297 1367 H CB -0.522 29.279 29.762 0.065 0.000 1.377 1367 H HN 0.266 nan 8.280 nan 0.000 0.492 1368 M N 0.488 120.197 119.600 0.181 0.000 2.213 1368 M HA -0.074 4.408 4.480 0.003 0.000 0.263 1368 M C 2.642 179.003 176.300 0.100 0.000 1.062 1368 M CA 1.258 56.619 55.300 0.102 0.000 1.105 1368 M CB -0.235 32.396 32.600 0.052 0.000 1.385 1368 M HN 0.242 nan 8.290 nan 0.000 0.417 1369 A N 1.106 123.917 122.820 -0.015 0.000 1.834 1369 A HA -0.182 4.139 4.320 0.003 0.000 0.216 1369 A C 2.089 179.645 177.584 -0.046 0.000 1.203 1369 A CA 1.682 53.586 52.037 -0.220 0.000 0.621 1369 A CB -1.111 17.509 19.000 -0.635 0.000 0.841 1369 A HN 0.411 nan 8.150 nan 0.000 0.446 1370 L N -0.331 120.898 121.223 0.009 0.000 1.987 1370 L HA -0.259 4.083 4.340 0.003 0.000 0.230 1370 L C 2.380 179.270 176.870 0.034 0.000 1.089 1370 L CA 2.793 57.666 54.840 0.056 0.000 0.802 1370 L CB -1.029 41.110 42.059 0.133 0.000 0.905 1370 L HN 0.492 nan 8.230 nan 0.000 0.441 1371 L N -1.040 120.204 121.223 0.035 0.000 2.010 1371 L HA -0.235 4.107 4.340 0.003 0.000 0.219 1371 L C 2.484 179.370 176.870 0.026 0.000 1.077 1371 L CA 2.308 57.153 54.840 0.009 0.000 0.773 1371 L CB -1.107 40.953 42.059 0.002 0.000 0.892 1371 L HN 0.193 nan 8.230 nan 0.000 0.436 1372 V N 0.217 120.163 119.914 0.054 0.000 2.380 1372 V HA -0.334 3.788 4.120 0.003 0.000 0.251 1372 V C 2.230 178.365 176.094 0.069 0.000 1.063 1372 V CA 2.380 64.731 62.300 0.085 0.000 1.055 1372 V CB -0.672 31.235 31.823 0.142 0.000 0.657 1372 V HN 0.644 nan 8.190 nan 0.000 0.455 1373 D N -0.443 119.982 120.400 0.041 0.000 2.103 1373 D HA -0.115 4.527 4.640 0.003 0.000 0.199 1373 D C 2.157 178.472 176.300 0.025 0.000 0.978 1373 D CA 1.725 55.743 54.000 0.030 0.000 0.829 1373 D CB -0.277 40.531 40.800 0.014 0.000 0.981 1373 D HN 0.433 nan 8.370 nan 0.000 0.464 1374 V N 1.651 121.572 119.914 0.011 0.000 2.324 1374 V HA -0.258 3.864 4.120 0.003 0.000 0.250 1374 V C 2.479 178.586 176.094 0.022 0.000 1.060 1374 V CA 1.464 63.763 62.300 -0.002 0.000 1.042 1374 V CB -0.638 31.162 31.823 -0.040 0.000 0.650 1374 V HN 0.188 nan 8.190 nan 0.000 0.450 1375 M N -0.490 119.132 119.600 0.037 0.000 2.700 1375 M HA -0.070 4.412 4.480 0.003 0.000 0.249 1375 M C 1.891 178.238 176.300 0.078 0.000 1.082 1375 M CA 1.553 56.895 55.300 0.069 0.000 1.077 1375 M CB -0.213 32.442 32.600 0.092 0.000 1.477 1375 M HN 0.507 nan 8.290 nan 0.000 0.529 1376 T N -1.366 113.227 114.554 0.065 0.000 2.980 1376 T HA 0.003 4.355 4.350 0.003 0.000 0.252 1376 T C 1.674 176.405 174.700 0.052 0.000 0.962 1376 T CA 0.924 63.063 62.100 0.066 0.000 0.932 1376 T CB -0.127 68.788 68.868 0.078 0.000 1.188 1376 T HN 0.470 nan 8.240 nan 0.000 0.500 1377 T N 1.341 115.919 114.554 0.040 0.000 2.428 1377 T HA -0.294 4.058 4.350 0.003 0.000 0.248 1377 T C 1.826 176.549 174.700 0.038 0.000 1.284 1377 T CA 1.791 63.910 62.100 0.032 0.000 1.217 1377 T CB -1.196 67.677 68.868 0.008 0.000 0.864 1377 T HN 0.429 nan 8.240 nan 0.000 0.402 1378 Q N 1.187 121.009 119.800 0.038 0.000 2.266 1378 Q HA -0.320 4.022 4.340 0.003 0.000 0.222 1378 Q C 2.049 178.074 176.000 0.042 0.000 1.078 1378 Q CA 2.601 58.430 55.803 0.043 0.000 0.964 1378 Q CB -0.913 27.856 28.738 0.052 0.000 1.094 1378 Q HN 0.920 nan 8.270 nan 0.000 0.465 1379 G N -3.264 105.561 108.800 0.043 0.000 4.309 1379 G HA2 0.164 4.126 3.960 0.003 0.000 0.201 1379 G HA3 0.164 4.126 3.960 0.003 0.000 0.201 1379 G C 0.343 175.265 174.900 0.036 0.000 1.024 1379 G CA 0.477 45.600 45.100 0.038 0.000 1.007 1379 G HN 0.602 nan 8.290 nan 0.000 0.348 1380 G N -0.201 108.618 108.800 0.033 0.000 2.890 1380 G HA2 0.527 4.489 3.960 0.003 0.000 0.199 1380 G HA3 0.527 4.489 3.960 0.003 0.000 0.199 1380 G C -0.899 174.017 174.900 0.028 0.000 1.729 1380 G CA -0.303 44.812 45.100 0.024 0.000 0.767 1380 G HN 0.405 nan 8.290 nan 0.000 0.804 1381 L N 2.239 123.468 121.223 0.010 0.000 2.366 1381 L HA 0.406 4.748 4.340 0.003 0.000 0.266 1381 L C -0.657 176.234 176.870 0.034 0.000 1.010 1381 L CA -0.369 54.479 54.840 0.013 0.000 0.879 1381 L CB 1.828 43.851 42.059 -0.061 0.000 1.228 1381 L HN 0.213 nan 8.230 nan 0.000 0.439 1382 T N 1.153 115.748 114.554 0.068 0.000 2.728 1382 T HA 0.194 4.546 4.350 0.003 0.000 0.296 1382 T C 0.466 175.245 174.700 0.131 0.000 0.940 1382 T CA -0.458 61.700 62.100 0.097 0.000 1.013 1382 T CB 0.840 69.775 68.868 0.111 0.000 0.912 1382 T HN 0.613 nan 8.240 nan 0.000 0.484 1383 S N 2.254 118.037 115.700 0.139 0.000 2.576 1383 S HA 0.178 4.649 4.470 0.003 0.000 0.276 1383 S C 0.621 175.385 174.600 0.273 0.000 1.339 1383 S CA -0.948 57.355 58.200 0.172 0.000 1.039 1383 S CB 0.540 63.831 63.200 0.151 0.000 0.902 1383 S HN 0.440 nan 8.310 nan 0.000 0.516 1384 V N 3.401 123.475 119.914 0.267 0.000 1.935 1384 V HA 0.262 4.384 4.120 0.003 0.000 0.262 1384 V C 0.197 176.558 176.094 0.445 0.000 1.726 1384 V CA 0.030 62.567 62.300 0.395 0.000 1.656 1384 V CB -1.821 30.082 31.823 0.134 0.000 1.532 1384 V HN 1.032 nan 8.190 nan 0.000 0.509 1385 T N 0.224 114.995 114.554 0.361 0.000 2.840 1385 T HA 0.268 4.619 4.350 0.003 0.000 0.317 1385 T C 0.945 175.570 174.700 -0.125 0.000 1.401 1385 T CA -0.794 61.406 62.100 0.167 0.000 1.028 1385 T CB 2.081 71.048 68.868 0.165 0.000 1.317 1385 T HN 0.376 nan 8.240 nan 0.000 0.495 1386 R N 0.487 120.842 120.500 -0.242 0.000 2.228 1386 R HA -0.248 4.093 4.340 0.003 0.000 0.259 1386 R C 0.949 177.006 176.300 -0.405 0.000 1.183 1386 R CA 1.994 57.784 56.100 -0.517 0.000 1.002 1386 R CB -0.320 29.602 30.300 -0.630 0.000 0.879 1386 R HN 0.633 nan 8.270 nan 0.000 0.467 1387 H N -1.501 117.499 119.070 -0.118 0.000 2.539 1387 H HA 0.190 4.748 4.556 0.003 0.000 0.267 1387 H C 1.169 176.463 175.328 -0.056 0.000 0.982 1387 H CA 0.890 56.892 56.048 -0.075 0.000 1.146 1387 H CB 0.785 30.529 29.762 -0.031 0.000 1.382 1387 H HN 0.494 nan 8.280 nan 0.000 0.577 1388 G N 0.260 109.071 108.800 0.018 0.000 2.844 1388 G HA2 0.017 3.979 3.960 0.003 0.000 0.204 1388 G HA3 0.017 3.979 3.960 0.003 0.000 0.204 1388 G C 0.829 175.741 174.900 0.019 0.000 1.815 1388 G CA 0.060 45.192 45.100 0.053 0.000 0.739 1388 G HN 0.213 nan 8.290 nan 0.000 0.807 1389 F N 1.586 121.582 119.950 0.076 0.000 2.406 1389 F HA -0.032 4.497 4.527 0.003 0.000 0.297 1389 F C 1.148 176.995 175.800 0.079 0.000 1.059 1389 F CA 1.299 59.340 58.000 0.068 0.000 1.458 1389 F CB -0.450 38.585 39.000 0.059 0.000 1.107 1389 F HN 0.144 nan 8.300 nan 0.000 0.582 1390 N N 0.475 118.903 118.700 -0.454 0.000 2.279 1390 N HA 0.107 4.848 4.740 0.003 0.000 0.226 1390 N C 1.380 176.803 175.510 -0.146 0.000 1.126 1390 N CA 0.124 52.967 53.050 -0.345 0.000 0.846 1390 N CB -0.092 38.071 38.487 -0.540 0.000 1.050 1390 N HN 0.685 nan 8.380 nan 0.000 0.502 1391 R N -1.579 118.885 120.500 -0.060 0.000 2.513 1391 R HA 0.251 4.593 4.340 0.003 0.000 0.245 1391 R C 0.120 176.430 176.300 0.017 0.000 0.908 1391 R CA -0.155 55.930 56.100 -0.026 0.000 1.023 1391 R CB -0.232 30.058 30.300 -0.017 0.000 1.338 1391 R HN 0.087 nan 8.270 nan 0.000 0.575 1392 S N 1.419 117.149 115.700 0.051 0.000 2.563 1392 S HA -0.013 4.459 4.470 0.003 0.000 0.269 1392 S C 0.500 175.134 174.600 0.056 0.000 1.364 1392 S CA -0.118 58.123 58.200 0.067 0.000 1.010 1392 S CB 0.302 63.564 63.200 0.104 0.000 0.877 1392 S HN 0.368 nan 8.310 nan 0.000 0.549 1393 N N 0.652 119.383 118.700 0.052 0.000 2.651 1393 N HA -0.059 4.683 4.740 0.003 0.000 0.193 1393 N C 0.043 175.583 175.510 0.050 0.000 1.149 1393 N CA 0.684 53.761 53.050 0.045 0.000 0.933 1393 N CB -0.959 37.553 38.487 0.041 0.000 0.974 1393 N HN 0.641 nan 8.380 nan 0.000 0.448 1394 T N 0.581 115.172 114.554 0.062 0.000 2.940 1394 T HA 0.242 4.594 4.350 0.003 0.000 0.309 1394 T C 1.343 176.081 174.700 0.064 0.000 1.056 1394 T CA -0.365 61.775 62.100 0.066 0.000 1.137 1394 T CB 1.016 69.937 68.868 0.088 0.000 0.976 1394 T HN 0.199 nan 8.240 nan 0.000 0.547 1395 G N 0.824 109.662 108.800 0.064 0.000 2.855 1395 G HA2 0.302 4.264 3.960 0.003 0.000 0.248 1395 G HA3 0.302 4.264 3.960 0.003 0.000 0.248 1395 G C 1.120 176.075 174.900 0.092 0.000 1.243 1395 G CA -0.244 44.904 45.100 0.079 0.000 0.881 1395 G HN 0.915 nan 8.290 nan 0.000 0.598 1396 A N 0.022 122.927 122.820 0.141 0.000 1.819 1396 A HA -0.004 4.318 4.320 0.003 0.000 0.215 1396 A C 2.544 180.182 177.584 0.091 0.000 1.226 1396 A CA 1.569 53.668 52.037 0.104 0.000 0.608 1396 A CB -0.904 18.173 19.000 0.127 0.000 0.877 1396 A HN 0.731 nan 8.150 nan 0.000 0.452 1397 L N -1.153 120.167 121.223 0.161 0.000 2.274 1397 L HA -0.367 3.975 4.340 0.003 0.000 0.220 1397 L C 2.801 179.712 176.870 0.069 0.000 1.088 1397 L CA 2.294 57.202 54.840 0.113 0.000 0.801 1397 L CB -0.535 41.602 42.059 0.129 0.000 0.891 1397 L HN 0.690 nan 8.230 nan 0.000 0.444 1398 M N -0.585 119.059 119.600 0.073 0.000 2.193 1398 M HA -0.151 4.331 4.480 0.003 0.000 0.265 1398 M C 2.307 178.665 176.300 0.096 0.000 1.071 1398 M CA 1.559 56.904 55.300 0.075 0.000 1.140 1398 M CB 0.013 32.659 32.600 0.077 0.000 1.369 1398 M HN 0.061 nan 8.290 nan 0.000 0.423 1399 R N -0.770 119.779 120.500 0.082 0.000 2.235 1399 R HA -0.060 4.282 4.340 0.003 0.000 0.213 1399 R C 2.303 178.624 176.300 0.035 0.000 1.059 1399 R CA 0.767 56.913 56.100 0.077 0.000 0.997 1399 R CB -0.658 29.653 30.300 0.017 0.000 0.884 1399 R HN 0.486 nan 8.270 nan 0.000 0.462 1400 C N 1.068 120.378 119.300 0.017 0.000 2.413 1400 C HA -0.096 4.366 4.460 0.003 0.000 0.276 1400 C C 2.086 177.085 174.990 0.014 0.000 1.236 1400 C CA 1.611 60.616 59.018 -0.022 0.000 1.735 1400 C CB -0.661 27.066 27.740 -0.021 0.000 2.031 1400 C HN 0.528 nan 8.230 nan 0.000 0.474 1401 S N -0.905 114.834 115.700 0.065 0.000 3.120 1401 S HA 0.230 4.702 4.470 0.003 0.000 0.259 1401 S C -0.302 174.432 174.600 0.223 0.000 1.191 1401 S CA -0.000 58.257 58.200 0.096 0.000 1.257 1401 S CB -0.775 62.469 63.200 0.073 0.000 0.964 1401 S HN 0.532 nan 8.310 nan 0.000 0.473 1402 F N 0.583 120.516 119.950 -0.028 0.000 2.775 1402 F HA 0.261 4.790 4.527 0.003 0.000 0.339 1402 F C 0.302 176.066 175.800 -0.062 0.000 1.159 1402 F CA -1.442 56.544 58.000 -0.024 0.000 1.145 1402 F CB 0.024 39.027 39.000 0.006 0.000 1.408 1402 F HN 0.253 nan 8.300 nan 0.000 0.597 1403 E N 2.203 122.191 120.200 -0.354 0.000 3.616 1403 E HA -0.331 4.021 4.350 0.003 0.000 0.275 1403 E C 0.536 176.916 176.600 -0.366 0.000 0.689 1403 E CA 2.207 58.317 56.400 -0.484 0.000 0.942 1403 E CB -0.226 28.937 29.700 -0.895 0.000 1.505 1403 E HN 0.875 nan 8.360 nan 0.000 0.443 1404 E N -1.275 118.728 120.200 -0.328 0.000 2.606 1404 E HA 0.061 4.412 4.350 0.003 0.000 0.224 1404 E C 0.919 177.389 176.600 -0.216 0.000 0.930 1404 E CA 0.631 56.878 56.400 -0.255 0.000 1.125 1404 E CB 0.646 30.190 29.700 -0.261 0.000 1.123 1404 E HN 0.222 nan 8.360 nan 0.000 0.522 1405 T N 1.149 115.589 114.554 -0.190 0.000 1.721 1405 T HA -0.384 3.968 4.350 0.003 0.000 0.095 1405 T C 1.820 176.369 174.700 -0.251 0.000 1.825 1405 T CA 2.317 64.309 62.100 -0.179 0.000 0.764 1405 T CB -1.275 67.502 68.868 -0.152 0.000 0.769 1405 T HN 0.039 nan 8.240 nan 0.000 0.396 1406 V N 2.381 122.105 119.914 -0.317 0.000 2.250 1406 V HA -0.266 3.856 4.120 0.003 0.000 0.250 1406 V C 2.760 178.513 176.094 -0.568 0.000 1.060 1406 V CA 2.666 64.650 62.300 -0.528 0.000 1.030 1406 V CB -0.892 30.564 31.823 -0.612 0.000 0.643 1406 V HN 0.573 nan 8.190 nan 0.000 0.445 1407 E N -0.511 119.461 120.200 -0.380 0.000 2.136 1407 E HA -0.277 4.075 4.350 0.003 0.000 0.202 1407 E C 2.154 178.664 176.600 -0.151 0.000 1.019 1407 E CA 1.946 58.216 56.400 -0.215 0.000 0.819 1407 E CB -0.250 29.362 29.700 -0.147 0.000 0.739 1407 E HN 0.589 nan 8.360 nan 0.000 0.458 1408 I N 0.618 121.076 120.570 -0.187 0.000 2.353 1408 I HA -0.232 3.940 4.170 0.003 0.000 0.248 1408 I C 2.434 178.443 176.117 -0.180 0.000 1.119 1408 I CA 0.539 61.745 61.300 -0.156 0.000 1.417 1408 I CB -0.056 37.851 38.000 -0.156 0.000 1.078 1408 I HN 0.147 nan 8.210 nan 0.000 0.421 1409 L N -0.062 121.009 121.223 -0.253 0.000 2.005 1409 L HA -0.237 4.105 4.340 0.003 0.000 0.207 1409 L C 2.550 179.320 176.870 -0.167 0.000 1.072 1409 L CA 1.648 56.290 54.840 -0.330 0.000 0.744 1409 L CB -0.490 41.357 42.059 -0.354 0.000 0.895 1409 L HN 0.162 nan 8.230 nan 0.000 0.433 1410 F N 0.703 120.548 119.950 -0.175 0.000 2.032 1410 F HA -0.350 4.179 4.527 0.003 0.000 0.297 1410 F C 2.197 178.033 175.800 0.060 0.000 1.125 1410 F CA 1.209 59.172 58.000 -0.062 0.000 1.202 1410 F CB -0.267 38.689 39.000 -0.073 0.000 0.958 1410 F HN 0.187 nan 8.300 nan 0.000 0.491 1411 E N 0.104 120.429 120.200 0.207 0.000 2.482 1411 E HA -0.073 4.278 4.350 0.003 0.000 0.200 1411 E C 1.289 177.845 176.600 -0.074 0.000 1.147 1411 E CA 0.188 56.600 56.400 0.021 0.000 0.912 1411 E CB -0.082 29.594 29.700 -0.040 0.000 0.938 1411 E HN 0.395 nan 8.360 nan 0.000 0.519 1412 A N 0.248 123.012 122.820 -0.093 0.000 1.963 1412 A HA 0.181 4.503 4.320 0.003 0.000 0.207 1412 A C 2.216 179.777 177.584 -0.039 0.000 1.243 1412 A CA 0.601 52.546 52.037 -0.154 0.000 0.728 1412 A CB -0.097 18.616 19.000 -0.479 0.000 0.895 1412 A HN 0.326 nan 8.150 nan 0.000 0.467 1413 G N -0.598 108.191 108.800 -0.019 0.000 2.623 1413 G HA2 0.256 4.218 3.960 0.003 0.000 0.214 1413 G HA3 0.256 4.218 3.960 0.003 0.000 0.214 1413 G C 1.450 176.393 174.900 0.072 0.000 1.138 1413 G CA 1.126 46.287 45.100 0.102 0.000 0.794 1413 G HN 0.634 nan 8.290 nan 0.000 0.535 1414 A N 1.312 124.127 122.820 -0.008 0.000 1.854 1414 A HA 0.076 4.397 4.320 0.003 0.000 0.214 1414 A C 2.345 179.660 177.584 -0.448 0.000 1.192 1414 A CA 1.992 53.857 52.037 -0.287 0.000 0.611 1414 A CB -0.420 18.265 19.000 -0.524 0.000 0.832 1414 A HN 0.615 nan 8.150 nan 0.000 0.442 1415 S N -1.155 114.331 115.700 -0.356 0.000 2.573 1415 S HA 0.532 5.004 4.470 0.003 0.000 0.244 1415 S C 0.651 175.186 174.600 -0.108 0.000 0.984 1415 S CA 0.471 58.459 58.200 -0.353 0.000 1.001 1415 S CB -0.405 62.594 63.200 -0.335 0.000 0.788 1415 S HN 1.812 nan 8.310 nan 0.000 0.456 1416 A N 1.090 123.904 122.820 -0.009 0.000 2.103 1416 A HA -0.210 4.112 4.320 0.003 0.000 0.269 1416 A C 0.335 178.002 177.584 0.139 0.000 1.346 1416 A CA 0.848 52.963 52.037 0.131 0.000 0.755 1416 A CB -1.884 17.257 19.000 0.235 0.000 1.146 1416 A HN 0.744 nan 8.150 nan 0.000 0.330 1417 E N -1.188 119.104 120.200 0.153 0.000 2.392 1417 E HA 0.484 4.836 4.350 0.003 0.000 0.256 1417 E C -0.121 176.565 176.600 0.142 0.000 1.145 1417 E CA -0.571 55.919 56.400 0.151 0.000 0.929 1417 E CB 0.641 30.450 29.700 0.183 0.000 0.998 1417 E HN 0.619 nan 8.360 nan 0.000 0.442 1418 L N 1.608 122.883 121.223 0.085 0.000 2.362 1418 L HA 0.353 4.695 4.340 0.003 0.000 0.275 1418 L C -1.282 175.590 176.870 0.004 0.000 0.998 1418 L CA -0.375 54.471 54.840 0.011 0.000 0.820 1418 L CB 1.846 43.921 42.059 0.028 0.000 1.270 1418 L HN 0.343 nan 8.230 nan 0.000 0.415 1419 D N 2.903 123.261 120.400 -0.069 0.000 2.381 1419 D HA 0.212 4.854 4.640 0.003 0.000 0.235 1419 D C 0.243 176.517 176.300 -0.044 0.000 1.068 1419 D CA -0.121 53.859 54.000 -0.033 0.000 0.832 1419 D CB 1.636 42.418 40.800 -0.029 0.000 1.101 1419 D HN 0.626 nan 8.370 nan 0.000 0.515 1420 D N 1.669 122.062 120.400 -0.012 0.000 2.182 1420 D HA -0.139 4.503 4.640 0.003 0.000 0.201 1420 D C 0.656 176.946 176.300 -0.016 0.000 0.986 1420 D CA 0.806 54.800 54.000 -0.011 0.000 0.847 1420 D CB 0.139 40.942 40.800 0.004 0.000 0.942 1420 D HN 0.511 nan 8.370 nan 0.000 0.467 1421 C N 0.414 119.706 119.300 -0.013 0.000 4.354 1421 C HA -0.152 4.310 4.460 0.003 0.000 0.307 1421 C C 1.273 176.259 174.990 -0.007 0.000 1.318 1421 C CA -0.025 58.984 59.018 -0.016 0.000 2.060 1421 C CB -2.298 25.422 27.740 -0.033 0.000 1.283 1421 C HN 0.420 nan 8.230 nan 0.000 0.723 1422 R N -0.328 120.174 120.500 0.003 0.000 2.487 1422 R HA 0.231 4.573 4.340 0.003 0.000 0.272 1422 R C 1.158 177.465 176.300 0.013 0.000 0.928 1422 R CA 0.547 56.654 56.100 0.011 0.000 1.077 1422 R CB 0.620 30.931 30.300 0.018 0.000 1.265 1422 R HN 0.570 nan 8.270 nan 0.000 0.537 1423 G N 0.377 109.183 108.800 0.011 0.000 2.444 1423 G HA2 0.269 4.231 3.960 0.003 0.000 0.268 1423 G HA3 0.269 4.231 3.960 0.003 0.000 0.268 1423 G C 1.143 176.041 174.900 -0.003 0.000 1.203 1423 G CA -0.576 44.531 45.100 0.012 0.000 0.835 1423 G HN -0.129 nan 8.290 nan 0.000 0.543 1424 V N 2.053 121.960 119.914 -0.012 0.000 2.220 1424 V HA -0.233 3.889 4.120 0.003 0.000 0.246 1424 V C 3.029 179.111 176.094 -0.019 0.000 1.049 1424 V CA 2.555 64.839 62.300 -0.026 0.000 1.003 1424 V CB -1.076 30.724 31.823 -0.037 0.000 0.634 1424 V HN 0.721 nan 8.190 nan 0.000 0.444 1425 S N -0.235 115.460 115.700 -0.008 0.000 2.369 1425 S HA -0.282 4.190 4.470 0.003 0.000 0.225 1425 S C 1.854 176.455 174.600 0.002 0.000 1.043 1425 S CA 1.839 60.039 58.200 -0.000 0.000 1.074 1425 S CB -0.549 62.661 63.200 0.018 0.000 0.962 1425 S HN 0.687 nan 8.310 nan 0.000 0.433 1426 E N 1.850 122.055 120.200 0.009 0.000 2.110 1426 E HA -0.249 4.103 4.350 0.003 0.000 0.225 1426 E C 1.856 178.452 176.600 -0.007 0.000 1.063 1426 E CA 1.453 57.857 56.400 0.007 0.000 0.906 1426 E CB -0.980 28.723 29.700 0.005 0.000 0.795 1426 E HN 0.543 nan 8.360 nan 0.000 0.479 1427 N N 0.644 119.334 118.700 -0.016 0.000 2.104 1427 N HA -0.132 4.609 4.740 0.003 0.000 0.190 1427 N C 2.136 177.631 175.510 -0.025 0.000 1.024 1427 N CA 1.157 54.192 53.050 -0.024 0.000 0.853 1427 N CB -0.381 38.088 38.487 -0.031 0.000 1.008 1427 N HN -0.008 nan 8.380 nan 0.000 0.424 1428 V N 2.296 122.196 119.914 -0.024 0.000 2.380 1428 V HA -0.209 3.913 4.120 0.003 0.000 0.251 1428 V C 2.175 178.258 176.094 -0.019 0.000 1.063 1428 V CA 1.348 63.633 62.300 -0.025 0.000 1.055 1428 V CB -0.351 31.457 31.823 -0.025 0.000 0.657 1428 V HN 0.282 nan 8.190 nan 0.000 0.455 1429 I N -1.096 119.467 120.570 -0.012 0.000 2.761 1429 I HA -0.140 4.032 4.170 0.003 0.000 0.261 1429 I C 1.928 178.038 176.117 -0.012 0.000 1.198 1429 I CA 1.182 62.477 61.300 -0.007 0.000 1.482 1429 I CB -0.138 37.864 38.000 0.004 0.000 1.100 1429 I HN 0.273 nan 8.210 nan 0.000 0.445 1430 L N 0.222 121.435 121.223 -0.017 0.000 2.477 1430 L HA 0.262 4.604 4.340 0.003 0.000 0.220 1430 L C 1.366 178.222 176.870 -0.024 0.000 1.106 1430 L CA 0.497 55.324 54.840 -0.022 0.000 0.851 1430 L CB -0.059 41.983 42.059 -0.028 0.000 0.994 1430 L HN 0.410 nan 8.230 nan 0.000 0.462 1431 G N 0.562 109.348 108.800 -0.025 0.000 2.203 1431 G HA2 -0.193 3.769 3.960 0.003 0.000 0.231 1431 G HA3 -0.193 3.769 3.960 0.003 0.000 0.231 1431 G C -0.104 174.778 174.900 -0.029 0.000 1.058 1431 G CA -0.334 44.750 45.100 -0.026 0.000 0.781 1431 G HN 0.364 nan 8.290 nan 0.000 0.496 1432 Q N -0.552 119.228 119.800 -0.032 0.000 2.348 1432 Q HA 0.565 4.907 4.340 0.003 0.000 0.271 1432 Q C 0.270 176.245 176.000 -0.042 0.000 1.067 1432 Q CA -1.077 54.705 55.803 -0.035 0.000 0.839 1432 Q CB 1.802 30.520 28.738 -0.033 0.000 1.354 1432 Q HN 0.336 nan 8.270 nan 0.000 0.447 1433 M N 2.073 121.645 119.600 -0.047 0.000 2.292 1433 M HA 0.203 4.685 4.480 0.003 0.000 0.342 1433 M C -0.516 175.744 176.300 -0.066 0.000 1.538 1433 M CA 0.030 55.294 55.300 -0.061 0.000 1.163 1433 M CB 0.210 32.769 32.600 -0.068 0.000 1.823 1433 M HN 0.789 nan 8.290 nan 0.000 0.462 1434 A N 7.441 130.220 122.820 -0.068 0.000 2.351 1434 A HA 0.477 4.799 4.320 0.003 0.000 0.257 1434 A C -2.355 175.176 177.584 -0.088 0.000 1.087 1434 A CA -1.274 50.723 52.037 -0.066 0.000 0.798 1434 A CB -0.345 18.620 19.000 -0.059 0.000 1.033 1434 A HN 0.616 nan 8.150 nan 0.000 0.488 1435 P HA 0.317 nan 4.420 nan 0.000 0.252 1435 P C -1.120 176.116 177.300 -0.108 0.000 1.694 1435 P CA 0.861 63.911 63.100 -0.083 0.000 1.163 1435 P CB -0.407 31.277 31.700 -0.026 0.000 1.934 1436 I N 0.659 121.143 120.570 -0.144 0.000 2.644 1436 I HA 0.349 4.521 4.170 0.003 0.000 0.291 1436 I C 1.203 177.221 176.117 -0.166 0.000 1.180 1436 I CA -0.483 60.728 61.300 -0.149 0.000 1.040 1436 I CB 1.962 39.891 38.000 -0.119 0.000 1.255 1436 I HN 0.353 nan 8.210 nan 0.000 0.422 1437 G N 3.787 112.492 108.800 -0.159 0.000 2.685 1437 G HA2 -0.402 3.560 3.960 0.003 0.000 0.357 1437 G HA3 -0.402 3.560 3.960 0.003 0.000 0.357 1437 G C 1.011 175.816 174.900 -0.158 0.000 1.272 1437 G CA 1.255 46.284 45.100 -0.119 0.000 0.972 1437 G HN 0.594 nan 8.290 nan 0.000 0.550 1438 T N 0.982 115.458 114.554 -0.131 0.000 2.902 1438 T HA -0.145 4.207 4.350 0.003 0.000 0.260 1438 T C 1.773 176.162 174.700 -0.520 0.000 1.064 1438 T CA 2.520 64.500 62.100 -0.200 0.000 1.152 1438 T CB -0.469 68.328 68.868 -0.120 0.000 0.810 1438 T HN 1.589 nan 8.240 nan 0.000 0.523 1439 G N -0.731 107.792 108.800 -0.462 0.000 4.144 1439 G HA2 0.512 4.474 3.960 0.003 0.000 0.297 1439 G HA3 0.512 4.474 3.960 0.003 0.000 0.297 1439 G C 0.617 175.254 174.900 -0.438 0.000 1.090 1439 G CA 0.264 45.066 45.100 -0.496 0.000 0.870 1439 G HN 0.461 nan 8.290 nan 0.000 0.532 1440 A N 0.411 122.923 122.820 -0.513 0.000 2.411 1440 A HA 0.692 5.014 4.320 0.003 0.000 0.251 1440 A C 0.137 177.824 177.584 0.172 0.000 1.317 1440 A CA -0.209 51.751 52.037 -0.129 0.000 0.904 1440 A CB -0.740 18.208 19.000 -0.087 0.000 0.993 1440 A HN 0.846 nan 8.150 nan 0.000 0.504 1441 F N -4.191 115.822 119.950 0.106 0.000 3.194 1441 F HA 0.631 5.160 4.527 0.003 0.000 0.327 1441 F C -1.616 174.232 175.800 0.080 0.000 1.141 1441 F CA -1.644 56.438 58.000 0.137 0.000 0.862 1441 F CB 0.346 39.471 39.000 0.207 0.000 1.447 1441 F HN -0.163 nan 8.300 nan 0.000 0.479 1442 D N 0.478 121.115 120.400 0.396 0.000 2.419 1442 D HA 0.698 5.340 4.640 0.003 0.000 0.234 1442 D C -1.322 175.148 176.300 0.284 0.000 1.014 1442 D CA -0.275 53.869 54.000 0.241 0.000 0.919 1442 D CB 2.915 43.795 40.800 0.134 0.000 1.366 1442 D HN 0.548 nan 8.370 nan 0.000 0.490 1443 V N 0.557 120.586 119.914 0.192 0.000 2.540 1443 V HA 0.617 4.739 4.120 0.003 0.000 0.302 1443 V C -0.088 176.061 176.094 0.092 0.000 1.035 1443 V CA -0.686 61.705 62.300 0.152 0.000 0.873 1443 V CB 1.586 33.503 31.823 0.158 0.000 0.992 1443 V HN 0.463 nan 8.190 nan 0.000 0.428 1444 M N 3.877 123.519 119.600 0.070 0.000 2.644 1444 M HA 0.654 5.136 4.480 0.003 0.000 0.304 1444 M C -1.320 175.008 176.300 0.046 0.000 1.215 1444 M CA -0.643 54.688 55.300 0.052 0.000 0.871 1444 M CB 2.647 35.273 32.600 0.043 0.000 1.740 1444 M HN 0.495 nan 8.290 nan 0.000 0.464 1445 I N 1.218 121.812 120.570 0.040 0.000 2.281 1445 I HA 0.161 4.333 4.170 0.003 0.000 0.293 1445 I C -0.255 175.880 176.117 0.030 0.000 1.085 1445 I CA -0.201 61.123 61.300 0.041 0.000 1.257 1445 I CB -0.214 37.809 38.000 0.037 0.000 1.430 1445 I HN 0.415 nan 8.210 nan 0.000 0.489 1446 D N 5.302 125.719 120.400 0.028 0.000 2.367 1446 D HA -0.047 4.595 4.640 0.003 0.000 0.255 1446 D C 1.339 177.637 176.300 -0.003 0.000 1.300 1446 D CA 0.262 54.267 54.000 0.008 0.000 0.959 1446 D CB 0.672 41.472 40.800 -0.000 0.000 1.064 1446 D HN 0.519 nan 8.370 nan 0.000 0.509 1447 E N 3.499 123.696 120.200 -0.004 0.000 2.160 1447 E HA -0.232 4.120 4.350 0.003 0.000 0.195 1447 E C 0.886 177.466 176.600 -0.035 0.000 0.991 1447 E CA 1.081 57.476 56.400 -0.009 0.000 0.810 1447 E CB 0.333 30.029 29.700 -0.005 0.000 0.742 1447 E HN 0.663 nan 8.360 nan 0.000 0.466 1448 E N 0.233 120.406 120.200 -0.046 0.000 2.005 1448 E HA -0.162 4.190 4.350 0.003 0.000 0.198 1448 E C 2.115 178.635 176.600 -0.133 0.000 1.010 1448 E CA 1.774 58.131 56.400 -0.072 0.000 0.825 1448 E CB -0.175 29.488 29.700 -0.062 0.000 0.769 1448 E HN 0.308 nan 8.360 nan 0.000 0.456 1449 S N 1.045 116.646 115.700 -0.166 0.000 2.493 1449 S HA -0.153 4.319 4.470 0.003 0.000 0.243 1449 S C 1.635 175.976 174.600 -0.432 0.000 0.991 1449 S CA 0.542 58.529 58.200 -0.355 0.000 0.957 1449 S CB -0.161 62.878 63.200 -0.269 0.000 0.756 1449 S HN 0.151 nan 8.310 nan 0.000 0.521 1450 L N 1.097 122.230 121.223 -0.149 0.000 2.718 1450 L HA 0.394 4.736 4.340 0.003 0.000 0.242 1450 L C 0.904 177.753 176.870 -0.035 0.000 1.203 1450 L CA 0.183 55.010 54.840 -0.021 0.000 1.011 1450 L CB -0.032 42.044 42.059 0.029 0.000 1.250 1450 L HN 0.173 nan 8.230 nan 0.000 0.437 1451 V N -1.792 118.048 119.914 -0.123 0.000 3.141 1451 V HA 0.035 4.157 4.120 0.003 0.000 0.225 1451 V C 1.850 177.896 176.094 -0.081 0.000 1.352 1451 V CA 0.174 62.433 62.300 -0.070 0.000 1.316 1451 V CB 0.137 31.920 31.823 -0.067 0.000 1.126 1451 V HN 0.247 nan 8.190 nan 0.000 0.493 1452 K N 0.077 120.361 120.400 -0.194 0.000 2.585 1452 K HA -0.055 4.267 4.320 0.003 0.000 0.194 1452 K C -0.041 176.553 176.600 -0.011 0.000 1.037 1452 K CA 0.995 57.192 56.287 -0.149 0.000 0.964 1452 K CB -0.195 32.164 32.500 -0.234 0.000 0.787 1452 K HN 0.542 nan 8.250 nan 0.000 0.488 1453 Y N 1.905 122.206 120.300 0.002 0.000 2.907 1453 Y HA 0.216 4.768 4.550 0.003 0.000 0.332 1453 Y C -0.077 175.826 175.900 0.004 0.000 1.211 1453 Y CA -1.055 57.047 58.100 0.004 0.000 1.387 1453 Y CB -0.085 38.378 38.460 0.005 0.000 1.396 1453 Y HN 0.020 nan 8.280 nan 0.000 0.519 1454 M N 1.344 121.034 119.600 0.151 0.000 2.561 1454 M HA 0.324 4.806 4.480 0.003 0.000 0.166 1454 M C -3.228 173.106 176.300 0.057 0.000 0.894 1454 M CA -1.241 54.109 55.300 0.084 0.000 0.719 1454 M CB 0.257 32.896 32.600 0.065 0.000 2.677 1454 M HN 0.065 nan 8.290 nan 0.000 0.376 1455 P HA 0.000 nan 4.420 nan 0.000 0.216 1455 P CA 0.000 63.119 63.100 0.032 0.000 0.800 1455 P CB 0.000 31.715 31.700 0.026 0.000 0.726