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 1r9s_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 VPSXXXXXXL VSRGGCGNTQ PTIRKDGLKL VGSWKXXXXX XXXXXXXLRV DATA SEQUENCE LSTEEILNIF KHISVKDFTS LGFNEVFSRP EWMILTCLPV PPPPVRPSXX DATA SEQUENCE XXXXXXXEDD LTFKLADILK ANISLETLEH NGAPHHAIEE AESLLQFHVA DATA SEQUENCE TYMDNDIAGQ PQAXXXXXXP 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 DVMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.081 176.094 -0.022 0.000 1.182 2 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 2 V CB 0.000 31.811 31.823 -0.021 0.000 1.184 3 G N 0.683 109.470 108.800 -0.022 0.000 4.379 3 G HA2 0.605 4.567 3.960 0.003 0.000 0.290 3 G HA3 0.605 4.567 3.960 0.003 0.000 0.290 3 G C -0.252 174.638 174.900 -0.018 0.000 1.065 3 G CA 0.131 45.216 45.100 -0.024 0.000 0.833 3 G HN 0.419 nan 8.290 nan 0.000 0.512 4 Q N -0.354 119.439 119.800 -0.012 0.000 2.873 4 Q HA 0.473 4.815 4.340 0.003 0.000 0.297 4 Q C -0.184 175.824 176.000 0.013 0.000 1.064 4 Q CA -0.829 54.972 55.803 -0.002 0.000 0.816 4 Q CB 1.311 30.046 28.738 -0.006 0.000 1.481 4 Q HN 0.304 nan 8.270 nan 0.000 0.488 5 Q N -0.214 119.603 119.800 0.027 0.000 2.396 5 Q HA 0.147 4.489 4.340 0.003 0.000 0.221 5 Q C -0.679 175.376 176.000 0.092 0.000 1.025 5 Q CA -0.334 55.508 55.803 0.064 0.000 0.946 5 Q CB 0.202 28.976 28.738 0.061 0.000 1.224 5 Q HN 0.470 nan 8.270 nan 0.000 0.539 6 Y N 0.942 121.239 120.300 -0.005 0.000 2.139 6 Y HA -0.051 4.501 4.550 0.003 0.000 0.368 6 Y C 0.091 175.991 175.900 -0.000 0.000 1.260 6 Y CA 1.225 59.323 58.100 -0.003 0.000 1.696 6 Y CB 0.598 39.057 38.460 -0.001 0.000 1.439 6 Y HN 0.668 nan 8.280 nan 0.000 0.707 7 S N -0.723 114.891 115.700 -0.143 0.000 2.550 7 S HA 0.181 4.653 4.470 0.003 0.000 0.274 7 S C 0.134 174.699 174.600 -0.058 0.000 1.110 7 S CA -0.309 57.859 58.200 -0.054 0.000 1.013 7 S CB 0.408 63.545 63.200 -0.105 0.000 1.152 7 S HN 0.828 nan 8.310 nan 0.000 0.450 8 S N 2.786 118.548 115.700 0.103 0.000 2.392 8 S HA -0.028 4.444 4.470 0.003 0.000 0.232 8 S C 1.299 175.911 174.600 0.020 0.000 1.041 8 S CA 0.738 59.001 58.200 0.105 0.000 1.026 8 S CB -1.043 62.212 63.200 0.091 0.000 0.845 8 S HN 1.894 nan 8.310 nan 0.000 0.465 9 A N 4.239 127.054 122.820 -0.008 0.000 2.561 9 A HA 0.405 4.727 4.320 0.003 0.000 0.234 9 A C -1.453 176.098 177.584 -0.055 0.000 1.055 9 A CA -0.841 51.181 52.037 -0.024 0.000 0.756 9 A CB -0.376 18.609 19.000 -0.025 0.000 0.986 9 A HN 0.486 nan 8.150 nan 0.000 0.505 10 P HA 0.367 nan 4.420 nan 0.000 0.277 10 P C -0.789 176.477 177.300 -0.057 0.000 1.240 10 P CA -0.480 62.591 63.100 -0.048 0.000 0.798 10 P CB 1.038 32.722 31.700 -0.026 0.000 0.979 11 L N 3.156 124.340 121.223 -0.066 0.000 2.334 11 L HA 0.499 4.841 4.340 0.003 0.000 0.277 11 L C 0.107 176.950 176.870 -0.045 0.000 1.075 11 L CA 0.059 54.862 54.840 -0.062 0.000 0.804 11 L CB 0.448 42.463 42.059 -0.073 0.000 1.174 11 L HN 0.412 nan 8.230 nan 0.000 0.438 12 R N 2.127 122.602 120.500 -0.042 0.000 2.781 12 R HA 0.551 4.893 4.340 0.003 0.000 0.269 12 R C -1.220 175.057 176.300 -0.037 0.000 1.025 12 R CA -0.949 55.129 56.100 -0.036 0.000 0.914 12 R CB 2.119 32.400 30.300 -0.032 0.000 1.236 12 R HN 0.586 nan 8.270 nan 0.000 0.465 13 T N 1.186 115.719 114.554 -0.035 0.000 2.794 13 T HA 0.276 4.628 4.350 0.003 0.000 0.280 13 T C 0.169 174.846 174.700 -0.039 0.000 0.987 13 T CA -0.600 61.478 62.100 -0.037 0.000 0.993 13 T CB 1.645 70.492 68.868 -0.035 0.000 0.939 13 T HN 0.168 nan 8.240 nan 0.000 0.449 14 V N 4.055 123.943 119.914 -0.043 0.000 3.032 14 V HA 0.112 4.234 4.120 0.003 0.000 0.307 14 V C 1.062 177.129 176.094 -0.044 0.000 1.097 14 V CA 0.340 62.610 62.300 -0.050 0.000 1.191 14 V CB 0.508 32.297 31.823 -0.058 0.000 0.964 14 V HN 0.842 nan 8.190 nan 0.000 0.494 15 K N 1.392 121.764 120.400 -0.048 0.000 2.567 15 K HA 0.375 4.697 4.320 0.003 0.000 0.218 15 K C 0.085 176.659 176.600 -0.043 0.000 1.440 15 K CA 0.108 56.371 56.287 -0.039 0.000 0.995 15 K CB 1.261 33.741 32.500 -0.033 0.000 1.186 15 K HN 0.799 nan 8.250 nan 0.000 0.593 16 E N 0.366 120.529 120.200 -0.062 0.000 2.412 16 E HA 0.447 4.799 4.350 0.003 0.000 0.279 16 E C -1.358 175.168 176.600 -0.123 0.000 0.984 16 E CA -0.873 55.482 56.400 -0.075 0.000 0.788 16 E CB 3.001 32.655 29.700 -0.076 0.000 1.277 16 E HN -0.281 nan 8.360 nan 0.000 0.455 17 V N 2.075 121.902 119.914 -0.145 0.000 2.524 17 V HA 0.201 4.323 4.120 0.003 0.000 0.297 17 V C -0.823 175.069 176.094 -0.337 0.000 1.035 17 V CA -0.794 61.333 62.300 -0.288 0.000 0.867 17 V CB 1.677 33.324 31.823 -0.294 0.000 1.004 17 V HN 0.527 nan 8.190 nan 0.000 0.426 18 Q N 4.050 123.578 119.800 -0.453 0.000 2.503 18 Q HA 0.460 4.802 4.340 0.003 0.000 0.227 18 Q C -0.695 174.994 176.000 -0.520 0.000 1.109 18 Q CA -0.232 55.276 55.803 -0.490 0.000 0.922 18 Q CB 0.540 28.865 28.738 -0.689 0.000 1.249 18 Q HN 0.574 nan 8.270 nan 0.000 0.530 19 F N 0.162 119.965 119.950 -0.245 0.000 2.440 19 F HA 0.577 5.106 4.527 0.003 0.000 0.323 19 F C 1.520 177.238 175.800 -0.137 0.000 1.192 19 F CA 0.988 58.882 58.000 -0.177 0.000 1.252 19 F CB 0.975 39.900 39.000 -0.125 0.000 1.214 19 F HN 0.524 nan 8.300 nan 0.000 0.578 20 G N 0.197 109.076 108.800 0.133 0.000 2.335 20 G HA2 0.444 4.406 3.960 0.003 0.000 0.291 20 G HA3 0.444 4.406 3.960 0.003 0.000 0.291 20 G C -2.031 172.925 174.900 0.094 0.000 1.261 20 G CA -1.033 44.153 45.100 0.143 0.000 0.871 20 G HN 0.535 nan 8.290 nan 0.000 0.491 21 L N -0.332 120.950 121.223 0.098 0.000 2.303 21 L HA 0.609 4.951 4.340 0.003 0.000 0.266 21 L C -0.753 176.000 176.870 -0.197 0.000 1.011 21 L CA -0.880 53.970 54.840 0.018 0.000 0.818 21 L CB 2.447 44.595 42.059 0.148 0.000 1.326 21 L HN 0.476 nan 8.230 nan 0.000 0.435 22 F N 1.059 120.864 119.950 -0.242 0.000 2.375 22 F HA 0.158 4.687 4.527 0.003 0.000 0.362 22 F C 0.706 176.081 175.800 -0.709 0.000 1.129 22 F CA -0.880 56.889 58.000 -0.386 0.000 1.154 22 F CB 1.395 40.291 39.000 -0.172 0.000 1.205 22 F HN 0.492 nan 8.300 nan 0.000 0.513 23 S N 5.292 120.434 115.700 -0.929 0.000 2.533 23 S HA 0.065 4.537 4.470 0.003 0.000 0.282 23 S C -1.533 172.834 174.600 -0.388 0.000 1.304 23 S CA -1.250 56.208 58.200 -1.237 0.000 1.063 23 S CB 0.899 63.588 63.200 -0.851 0.000 0.881 23 S HN 0.474 nan 8.310 nan 0.000 0.493 24 P HA -0.151 nan 4.420 nan 0.000 0.222 24 P C 0.753 178.020 177.300 -0.056 0.000 1.142 24 P CA 1.162 64.238 63.100 -0.039 0.000 0.788 24 P CB 0.186 31.927 31.700 0.068 0.000 0.767 25 E N 0.419 120.595 120.200 -0.041 0.000 2.016 25 E HA -0.160 4.192 4.350 0.003 0.000 0.190 25 E C 2.214 178.745 176.600 -0.115 0.000 0.985 25 E CA 1.113 57.489 56.400 -0.041 0.000 0.802 25 E CB -0.798 28.917 29.700 0.025 0.000 0.762 25 E HN 0.351 nan 8.360 nan 0.000 0.448 26 E N 0.234 120.344 120.200 -0.149 0.000 2.153 26 E HA -0.172 4.180 4.350 0.003 0.000 0.194 26 E C 1.851 178.250 176.600 -0.334 0.000 0.988 26 E CA 1.073 57.364 56.400 -0.182 0.000 0.811 26 E CB 0.138 29.769 29.700 -0.115 0.000 0.746 26 E HN 0.060 nan 8.360 nan 0.000 0.466 27 V N 1.045 120.699 119.914 -0.433 0.000 2.407 27 V HA -0.263 3.859 4.120 0.003 0.000 0.248 27 V C 2.344 178.251 176.094 -0.312 0.000 1.055 27 V CA 2.149 64.131 62.300 -0.530 0.000 1.049 27 V CB -0.508 31.101 31.823 -0.356 0.000 0.662 27 V HN 0.272 nan 8.190 nan 0.000 0.455 28 R N 0.115 120.448 120.500 -0.278 0.000 2.080 28 R HA 0.078 4.420 4.340 0.003 0.000 0.222 28 R C 2.533 178.673 176.300 -0.268 0.000 1.107 28 R CA 1.155 57.020 56.100 -0.391 0.000 0.980 28 R CB -0.646 29.406 30.300 -0.414 0.000 0.879 28 R HN 0.478 nan 8.270 nan 0.000 0.439 29 A N 1.711 124.415 122.820 -0.194 0.000 1.903 29 A HA -0.207 4.115 4.320 0.003 0.000 0.219 29 A C 2.155 179.668 177.584 -0.119 0.000 1.191 29 A CA 1.503 53.461 52.037 -0.132 0.000 0.638 29 A CB -0.582 18.359 19.000 -0.099 0.000 0.823 29 A HN 0.191 nan 8.150 nan 0.000 0.451 30 I N 0.001 120.484 120.570 -0.146 0.000 2.162 30 I HA -0.125 4.047 4.170 0.003 0.000 0.238 30 I C 1.783 177.860 176.117 -0.066 0.000 1.076 30 I CA 0.780 62.014 61.300 -0.109 0.000 1.353 30 I CB -0.508 37.392 38.000 -0.166 0.000 1.063 30 I HN 0.491 nan 8.210 nan 0.000 0.408 31 S N 0.846 116.501 115.700 -0.076 0.000 2.516 31 S HA -0.077 4.395 4.470 0.003 0.000 0.285 31 S C 0.682 175.284 174.600 0.004 0.000 1.312 31 S CA 0.527 58.732 58.200 0.007 0.000 1.026 31 S CB 0.902 64.109 63.200 0.013 0.000 0.801 31 S HN 0.282 nan 8.310 nan 0.000 0.504 32 V N -0.986 118.957 119.914 0.049 0.000 3.380 32 V HA 0.658 4.780 4.120 0.003 0.000 0.277 32 V C 0.728 176.851 176.094 0.049 0.000 1.590 32 V CA 0.174 62.489 62.300 0.026 0.000 1.019 32 V CB -0.980 30.848 31.823 0.007 0.000 0.828 32 V HN 1.124 nan 8.190 nan 0.000 0.427 33 A N 0.809 123.681 122.820 0.086 0.000 2.263 33 A HA 0.875 5.197 4.320 0.003 0.000 0.318 33 A C 0.640 178.306 177.584 0.137 0.000 1.111 33 A CA -0.009 52.081 52.037 0.089 0.000 0.901 33 A CB 1.756 20.802 19.000 0.077 0.000 1.280 33 A HN 0.278 nan 8.150 nan 0.000 0.503 34 K N -0.974 119.488 120.400 0.102 0.000 2.631 34 K HA 0.397 4.719 4.320 0.003 0.000 0.200 34 K C -0.778 175.827 176.600 0.009 0.000 1.481 34 K CA 0.083 56.430 56.287 0.099 0.000 1.087 34 K CB 0.262 32.826 32.500 0.106 0.000 1.502 34 K HN 0.571 nan 8.250 nan 0.000 0.560 35 I N 2.814 123.407 120.570 0.038 0.000 8.325 35 I HA -0.331 3.841 4.170 0.003 0.000 0.126 35 I C 0.105 176.240 176.117 0.030 0.000 1.788 35 I CA 0.492 61.815 61.300 0.038 0.000 2.146 35 I CB -0.312 37.689 38.000 0.002 0.000 3.690 35 I HN 0.333 nan 8.210 nan 0.000 0.201 36 R N 3.669 124.235 120.500 0.110 0.000 2.453 36 R HA 0.354 4.696 4.340 0.003 0.000 0.233 36 R C -0.413 175.858 176.300 -0.049 0.000 0.895 36 R CA 0.221 56.349 56.100 0.046 0.000 1.028 36 R CB 0.454 30.822 30.300 0.114 0.000 1.255 36 R HN 0.325 nan 8.270 nan 0.000 0.571 37 F N 2.135 122.076 119.950 -0.016 0.000 2.458 37 F HA 0.356 4.885 4.527 0.003 0.000 0.336 37 F C -1.476 174.319 175.800 -0.009 0.000 1.114 37 F CA -2.749 55.245 58.000 -0.011 0.000 0.987 37 F CB 1.907 40.903 39.000 -0.006 0.000 1.130 37 F HN -0.195 nan 8.300 nan 0.000 0.458 38 P HA -0.051 nan 4.420 nan 0.000 0.231 38 P C -0.174 177.186 177.300 0.099 0.000 1.168 38 P CA 0.702 63.841 63.100 0.065 0.000 0.779 38 P CB 0.398 32.106 31.700 0.013 0.000 0.844 39 E N -0.284 120.008 120.200 0.153 0.000 2.428 39 E HA 0.063 4.415 4.350 0.003 0.000 0.257 39 E C 0.807 177.465 176.600 0.097 0.000 1.197 39 E CA 0.388 56.863 56.400 0.125 0.000 0.974 39 E CB 0.382 30.174 29.700 0.154 0.000 0.976 39 E HN 0.061 nan 8.360 nan 0.000 0.463 40 T N 0.331 114.927 114.554 0.070 0.000 3.480 40 T HA 0.079 4.431 4.350 0.003 0.000 0.229 40 T C 1.575 176.290 174.700 0.025 0.000 0.944 40 T CA 0.424 62.555 62.100 0.052 0.000 1.388 40 T CB 0.082 68.986 68.868 0.060 0.000 1.180 40 T HN 0.360 nan 8.240 nan 0.000 0.414 41 M N 0.176 119.787 119.600 0.019 0.000 2.564 41 M HA 0.279 4.761 4.480 0.003 0.000 0.254 41 M C -0.255 176.039 176.300 -0.009 0.000 1.299 41 M CA -0.032 55.269 55.300 0.002 0.000 1.143 41 M CB 0.516 33.120 32.600 0.006 0.000 1.427 41 M HN 0.029 nan 8.290 nan 0.000 0.538 42 D N 3.001 123.399 120.400 -0.003 0.000 2.423 42 D HA 0.104 4.746 4.640 0.003 0.000 0.238 42 D C -0.375 175.908 176.300 -0.028 0.000 1.142 42 D CA 0.795 54.789 54.000 -0.010 0.000 0.884 42 D CB 0.692 41.493 40.800 0.001 0.000 1.199 42 D HN 0.263 nan 8.370 nan 0.000 0.438 43 E N 0.316 120.498 120.200 -0.030 0.000 2.642 43 E HA 0.150 4.502 4.350 0.003 0.000 0.284 43 E C -0.729 175.853 176.600 -0.030 0.000 1.039 43 E CA -0.425 55.948 56.400 -0.045 0.000 0.777 43 E CB 0.987 30.654 29.700 -0.055 0.000 1.473 43 E HN 0.252 nan 8.360 nan 0.000 0.388 44 T N 2.012 116.553 114.554 -0.022 0.000 4.146 44 T HA -0.302 4.050 4.350 0.003 0.000 0.336 44 T C 0.806 175.500 174.700 -0.010 0.000 0.762 44 T CA 1.672 63.764 62.100 -0.014 0.000 1.914 44 T CB -1.240 67.618 68.868 -0.016 0.000 1.897 44 T HN 0.850 nan 8.240 nan 0.000 0.862 45 Q N -2.514 117.281 119.800 -0.008 0.000 5.585 45 Q HA -0.174 4.169 4.340 0.003 0.000 0.279 45 Q C 0.360 176.356 176.000 -0.007 0.000 2.184 45 Q CA 1.610 57.410 55.803 -0.005 0.000 0.437 45 Q CB -1.866 26.870 28.738 -0.003 0.000 0.260 45 Q HN 0.651 nan 8.270 nan 0.000 0.712 46 T N 3.508 118.056 114.554 -0.011 0.000 2.596 46 T HA -0.062 4.290 4.350 0.003 0.000 0.252 46 T C 0.240 174.932 174.700 -0.013 0.000 1.033 46 T CA 0.637 62.729 62.100 -0.012 0.000 1.215 46 T CB -0.033 68.826 68.868 -0.016 0.000 1.011 46 T HN 0.099 nan 8.240 nan 0.000 0.498 47 R N 2.070 122.565 120.500 -0.009 0.000 2.643 47 R HA 0.468 4.810 4.340 0.003 0.000 0.270 47 R C 0.724 177.017 176.300 -0.011 0.000 1.061 47 R CA 0.283 56.378 56.100 -0.008 0.000 1.107 47 R CB 0.484 30.781 30.300 -0.004 0.000 0.999 47 R HN 0.843 nan 8.270 nan 0.000 0.460 48 A N 2.008 124.821 122.820 -0.012 0.000 3.528 48 A HA 0.271 4.593 4.320 0.003 0.000 0.068 48 A C -1.392 176.184 177.584 -0.013 0.000 1.348 48 A CA -0.579 51.450 52.037 -0.014 0.000 1.666 48 A CB 0.602 19.590 19.000 -0.020 0.000 1.615 48 A HN 0.525 nan 8.150 nan 0.000 0.716 49 K N -0.473 119.914 120.400 -0.021 0.000 2.622 49 K HA 0.603 4.925 4.320 0.003 0.000 0.273 49 K C -1.574 175.001 176.600 -0.042 0.000 0.957 49 K CA -0.399 55.876 56.287 -0.020 0.000 0.861 49 K CB 1.864 34.359 32.500 -0.009 0.000 1.405 49 K HN 0.583 nan 8.250 nan 0.000 0.406 50 I N 0.069 120.606 120.570 -0.054 0.000 2.924 50 I HA 0.244 4.417 4.170 0.003 0.000 0.316 50 I C 1.621 177.698 176.117 -0.066 0.000 1.014 50 I CA -0.555 60.681 61.300 -0.107 0.000 1.106 50 I CB 1.313 39.189 38.000 -0.208 0.000 1.311 50 I HN 0.912 nan 8.210 nan 0.000 0.502 51 G N 1.852 110.601 108.800 -0.086 0.000 2.740 51 G HA2 -0.004 3.958 3.960 0.003 0.000 0.208 51 G HA3 -0.004 3.958 3.960 0.003 0.000 0.208 51 G C 0.873 175.807 174.900 0.055 0.000 1.148 51 G CA 0.561 45.654 45.100 -0.012 0.000 0.795 51 G HN 0.865 nan 8.290 nan 0.000 0.526 52 G N 0.219 109.061 108.800 0.070 0.000 3.107 52 G HA2 0.318 4.280 3.960 0.003 0.000 0.155 52 G HA3 0.318 4.280 3.960 0.003 0.000 0.155 52 G C 0.686 175.636 174.900 0.083 0.000 1.875 52 G CA -0.485 44.708 45.100 0.155 0.000 1.004 52 G HN 0.296 nan 8.290 nan 0.000 0.480 53 L N 0.535 121.801 121.223 0.072 0.000 2.416 53 L HA 0.069 4.411 4.340 0.003 0.000 0.212 53 L C 0.418 177.305 176.870 0.028 0.000 1.200 53 L CA -0.206 54.659 54.840 0.042 0.000 0.841 53 L CB -0.200 41.885 42.059 0.043 0.000 1.299 53 L HN 0.678 nan 8.230 nan 0.000 0.538 54 N N 0.836 119.545 118.700 0.015 0.000 2.391 54 N HA -0.238 4.504 4.740 0.003 0.000 0.316 54 N C -0.606 174.912 175.510 0.014 0.000 1.189 54 N CA 1.278 54.333 53.050 0.009 0.000 0.861 54 N CB -0.367 38.120 38.487 -0.001 0.000 1.098 54 N HN 0.822 nan 8.380 nan 0.000 0.558 55 D N 0.924 121.335 120.400 0.019 0.000 1.818 55 D HA 0.009 4.651 4.640 0.003 0.000 0.138 55 D C -1.858 174.455 176.300 0.020 0.000 1.475 55 D CA 0.498 54.508 54.000 0.017 0.000 0.708 55 D CB -0.871 39.934 40.800 0.007 0.000 3.175 55 D HN 0.214 nan 8.370 nan 0.000 0.196 56 P HA -0.249 nan 4.420 nan 0.000 0.227 56 P C 0.506 177.815 177.300 0.014 0.000 0.926 56 P CA 3.161 66.271 63.100 0.018 0.000 1.077 56 P CB -0.057 31.661 31.700 0.030 0.000 0.699 57 R N -3.866 116.647 120.500 0.022 0.000 2.591 57 R HA 0.255 4.597 4.340 0.003 0.000 0.288 57 R C 0.769 177.093 176.300 0.040 0.000 0.947 57 R CA -0.314 55.792 56.100 0.010 0.000 1.085 57 R CB -0.084 30.206 30.300 -0.017 0.000 1.618 57 R HN 0.123 nan 8.270 nan 0.000 0.524 58 L N 0.760 122.028 121.223 0.076 0.000 2.435 58 L HA 0.085 4.427 4.340 0.003 0.000 0.258 58 L C 1.627 178.583 176.870 0.143 0.000 1.257 58 L CA 0.364 55.292 54.840 0.146 0.000 0.823 58 L CB -0.224 41.887 42.059 0.086 0.000 1.111 58 L HN 0.129 nan 8.230 nan 0.000 0.543 59 G N -0.420 108.464 108.800 0.140 0.000 2.443 59 G HA2 0.300 4.262 3.960 0.003 0.000 0.286 59 G HA3 0.300 4.262 3.960 0.003 0.000 0.286 59 G C 0.048 174.973 174.900 0.042 0.000 1.393 59 G CA 0.384 45.532 45.100 0.081 0.000 1.080 59 G HN 0.856 nan 8.290 nan 0.000 0.566 60 S N -2.395 113.318 115.700 0.022 0.000 2.843 60 S HA 0.736 5.208 4.470 0.003 0.000 0.301 60 S C -0.354 174.247 174.600 0.002 0.000 1.206 60 S CA -0.755 57.453 58.200 0.012 0.000 0.875 60 S CB 1.014 64.223 63.200 0.015 0.000 1.248 60 S HN 0.587 nan 8.310 nan 0.000 0.555 61 I N -0.618 119.952 120.570 0.000 0.000 3.911 61 I HA 0.444 4.616 4.170 0.003 0.000 0.262 61 I C -0.525 175.591 176.117 -0.002 0.000 1.097 61 I CA -0.970 60.328 61.300 -0.004 0.000 1.318 61 I CB 0.586 38.582 38.000 -0.006 0.000 1.350 61 I HN 0.702 nan 8.210 nan 0.000 0.439 62 D N 1.771 122.169 120.400 -0.004 0.000 2.903 62 D HA -0.215 4.427 4.640 0.003 0.000 0.228 62 D C -0.218 176.081 176.300 -0.002 0.000 1.178 62 D CA 1.088 55.086 54.000 -0.003 0.000 0.740 62 D CB -0.637 40.162 40.800 -0.002 0.000 1.077 62 D HN 0.523 nan 8.370 nan 0.000 0.419 63 R N -1.104 119.395 120.500 -0.002 0.000 3.205 63 R HA -0.183 4.159 4.340 0.003 0.000 0.249 63 R C -0.738 175.563 176.300 0.001 0.000 0.937 63 R CA 0.483 56.582 56.100 -0.001 0.000 0.641 63 R CB -1.612 28.687 30.300 -0.001 0.000 1.114 63 R HN 0.226 nan 8.270 nan 0.000 0.451 64 N N 1.367 120.069 118.700 0.003 0.000 2.443 64 N HA 0.174 4.916 4.740 0.003 0.000 0.269 64 N C 1.337 176.853 175.510 0.009 0.000 0.985 64 N CA -0.580 52.473 53.050 0.005 0.000 0.921 64 N CB 1.232 39.721 38.487 0.005 0.000 1.195 64 N HN 0.101 nan 8.380 nan 0.000 0.492 65 L N 0.801 122.030 121.223 0.010 0.000 2.197 65 L HA -0.186 4.156 4.340 0.003 0.000 0.215 65 L C 0.862 177.744 176.870 0.020 0.000 1.095 65 L CA 1.344 56.192 54.840 0.014 0.000 0.764 65 L CB -0.313 41.753 42.059 0.012 0.000 0.897 65 L HN 0.322 nan 8.230 nan 0.000 0.436 66 K N 0.010 120.420 120.400 0.017 0.000 2.524 66 K HA 0.028 4.350 4.320 0.003 0.000 0.279 66 K C -0.341 176.280 176.600 0.035 0.000 0.993 66 K CA 0.223 56.523 56.287 0.020 0.000 1.030 66 K CB 0.611 33.119 32.500 0.013 0.000 0.891 66 K HN 0.185 nan 8.250 nan 0.000 0.488 67 C N 3.766 123.091 119.300 0.040 0.000 3.038 67 C HA 0.032 4.494 4.460 0.003 0.000 0.379 67 C C -0.710 174.298 174.990 0.030 0.000 1.061 67 C CA -0.369 58.693 59.018 0.073 0.000 1.314 67 C CB -0.592 27.227 27.740 0.130 0.000 1.655 67 C HN 1.061 nan 8.230 nan 0.000 0.489 68 Q N 3.762 123.542 119.800 -0.032 0.000 2.426 68 Q HA -0.190 4.152 4.340 0.003 0.000 0.359 68 Q C 0.956 176.909 176.000 -0.078 0.000 1.381 68 Q CA 1.224 56.958 55.803 -0.115 0.000 1.060 68 Q CB -0.689 27.844 28.738 -0.341 0.000 1.253 68 Q HN 1.131 nan 8.270 nan 0.000 0.363 69 T N -3.237 111.297 114.554 -0.033 0.000 3.866 69 T HA -0.318 4.034 4.350 0.003 0.000 0.344 69 T C 0.912 175.608 174.700 -0.006 0.000 0.760 69 T CA 1.201 63.291 62.100 -0.017 0.000 1.852 69 T CB -1.873 66.981 68.868 -0.022 0.000 1.891 69 T HN 0.867 nan 8.240 nan 0.000 0.783 70 C N -0.596 118.708 119.300 0.007 0.000 3.183 70 C HA 0.382 4.844 4.460 0.003 0.000 0.285 70 C C 1.627 176.646 174.990 0.050 0.000 1.313 70 C CA 0.360 59.401 59.018 0.037 0.000 1.711 70 C CB -0.395 27.391 27.740 0.076 0.000 2.135 70 C HN 0.778 nan 8.230 nan 0.000 0.651 71 Q N 0.768 120.592 119.800 0.040 0.000 1.932 71 Q HA -0.374 3.969 4.340 0.003 0.000 0.407 71 Q C 0.847 176.872 176.000 0.042 0.000 0.787 71 Q CA 1.865 57.688 55.803 0.035 0.000 0.852 71 Q CB -1.229 27.523 28.738 0.025 0.000 3.472 71 Q HN 0.562 nan 8.270 nan 0.000 0.793 72 E N -1.143 119.076 120.200 0.032 0.000 4.540 72 E HA -0.303 4.049 4.350 0.003 0.000 0.175 72 E C 0.688 177.299 176.600 0.020 0.000 1.236 72 E CA 2.560 58.976 56.400 0.027 0.000 2.396 72 E CB -1.743 27.978 29.700 0.035 0.000 1.797 72 E HN 1.538 nan 8.360 nan 0.000 0.437 73 G N 0.500 109.314 108.800 0.023 0.000 2.612 73 G HA2 -0.123 3.839 3.960 0.003 0.000 0.686 73 G HA3 -0.123 3.839 3.960 0.003 0.000 0.686 73 G C 0.014 174.918 174.900 0.007 0.000 1.274 73 G CA -0.057 45.052 45.100 0.014 0.000 0.849 73 G HN 0.150 nan 8.290 nan 0.000 0.595 74 M N 2.083 121.683 119.600 0.001 0.000 3.583 74 M HA 0.132 4.614 4.480 0.003 0.000 0.177 74 M C 0.612 176.905 176.300 -0.012 0.000 1.792 74 M CA 0.800 56.095 55.300 -0.008 0.000 1.798 74 M CB -1.027 31.567 32.600 -0.010 0.000 1.315 74 M HN 0.627 nan 8.290 nan 0.000 0.518 75 N N 1.668 120.360 118.700 -0.013 0.000 7.111 75 N HA -0.063 4.679 4.740 0.003 0.000 0.096 75 N C -0.303 175.200 175.510 -0.011 0.000 0.911 75 N CA 0.459 53.500 53.050 -0.015 0.000 1.266 75 N CB 0.500 38.979 38.487 -0.013 0.000 1.288 75 N HN 0.633 nan 8.380 nan 0.000 1.263 76 E N 1.417 121.608 120.200 -0.015 0.000 4.129 76 E HA -0.207 4.146 4.350 0.003 0.000 0.354 76 E C -1.029 175.566 176.600 -0.008 0.000 0.673 76 E CA 1.202 57.596 56.400 -0.009 0.000 1.347 76 E CB -1.678 28.021 29.700 -0.000 0.000 1.722 76 E HN 0.548 nan 8.360 nan 0.000 0.410 77 C N 3.015 122.302 119.300 -0.023 0.000 2.138 77 C HA 0.447 4.909 4.460 0.003 0.000 0.398 77 C C -1.924 172.985 174.990 -0.135 0.000 1.029 77 C CA -1.606 57.387 59.018 -0.043 0.000 1.426 77 C CB -0.559 27.166 27.740 -0.025 0.000 1.652 77 C HN 0.223 nan 8.230 nan 0.000 0.486 78 P HA 0.113 nan 4.420 nan 0.000 0.254 78 P C 0.779 177.848 177.300 -0.386 0.000 1.186 78 P CA 0.904 63.905 63.100 -0.166 0.000 0.868 78 P CB 0.019 31.677 31.700 -0.071 0.000 0.856 79 G N 4.367 113.009 108.800 -0.264 0.000 2.168 79 G HA2 -0.103 3.859 3.960 0.003 0.000 0.240 79 G HA3 -0.103 3.859 3.960 0.003 0.000 0.240 79 G C -0.112 174.621 174.900 -0.278 0.000 1.080 79 G CA -0.223 44.711 45.100 -0.277 0.000 0.877 79 G HN 0.587 nan 8.290 nan 0.000 0.446 80 H N 1.706 120.815 119.070 0.064 0.000 2.467 80 H HA 0.292 4.850 4.556 0.003 0.000 0.326 80 H C -0.067 175.338 175.328 0.127 0.000 1.094 80 H CA -0.691 55.439 56.048 0.138 0.000 1.253 80 H CB 1.036 30.851 29.762 0.089 0.000 1.439 80 H HN 0.304 nan 8.280 nan 0.000 0.479 81 F N 0.957 120.991 119.950 0.139 0.000 2.459 81 F HA 0.270 4.799 4.527 0.003 0.000 0.346 81 F C 1.467 177.309 175.800 0.070 0.000 1.128 81 F CA 0.449 58.501 58.000 0.086 0.000 1.268 81 F CB 0.720 39.757 39.000 0.061 0.000 1.161 81 F HN 0.566 nan 8.300 nan 0.000 0.583 82 G N 0.227 109.129 108.800 0.171 0.000 2.702 82 G HA2 0.450 4.412 3.960 0.003 0.000 0.254 82 G HA3 0.450 4.412 3.960 0.003 0.000 0.254 82 G C -1.857 173.152 174.900 0.182 0.000 1.380 82 G CA -0.291 44.891 45.100 0.136 0.000 1.042 82 G HN 0.684 nan 8.290 nan 0.000 0.557 83 H N -1.656 117.428 119.070 0.023 0.000 2.930 83 H HA 0.710 5.268 4.556 0.003 0.000 0.371 83 H C -1.545 173.782 175.328 -0.002 0.000 1.169 83 H CA -0.935 55.114 56.048 0.003 0.000 1.157 83 H CB 1.769 31.527 29.762 -0.007 0.000 1.789 83 H HN 0.525 nan 8.280 nan 0.000 0.547 84 I N 4.009 124.257 120.570 -0.536 0.000 2.667 84 I HA 0.223 4.395 4.170 0.003 0.000 0.288 84 I C -1.694 174.172 176.117 -0.419 0.000 1.267 84 I CA -0.541 60.486 61.300 -0.455 0.000 1.055 84 I CB 1.531 39.411 38.000 -0.199 0.000 1.294 84 I HN 0.610 nan 8.210 nan 0.000 0.429 85 D N 8.498 128.667 120.400 -0.386 0.000 2.198 85 D HA 0.465 5.107 4.640 0.003 0.000 0.245 85 D C -0.307 175.944 176.300 -0.082 0.000 1.079 85 D CA -0.084 53.819 54.000 -0.161 0.000 0.854 85 D CB 2.271 43.024 40.800 -0.078 0.000 1.148 85 D HN 0.394 nan 8.370 nan 0.000 0.456 86 L N 1.249 122.450 121.223 -0.037 0.000 2.399 86 L HA 0.487 4.829 4.340 0.003 0.000 0.265 86 L C 1.440 178.310 176.870 -0.000 0.000 1.089 86 L CA -0.747 54.082 54.840 -0.018 0.000 0.802 86 L CB 0.914 42.973 42.059 -0.000 0.000 1.180 86 L HN 0.371 nan 8.230 nan 0.000 0.454 87 A N 1.891 124.711 122.820 -0.001 0.000 2.385 87 A HA 0.086 4.408 4.320 0.003 0.000 0.197 87 A C 0.634 178.224 177.584 0.009 0.000 1.531 87 A CA 0.528 52.566 52.037 0.001 0.000 0.620 87 A CB -0.249 18.744 19.000 -0.012 0.000 1.090 87 A HN 0.689 nan 8.150 nan 0.000 0.497 88 K N 1.690 122.094 120.400 0.007 0.000 2.379 88 K HA 0.229 4.551 4.320 0.003 0.000 0.284 88 K C -2.417 174.206 176.600 0.039 0.000 1.044 88 K CA -1.620 54.678 56.287 0.019 0.000 0.974 88 K CB 0.256 32.763 32.500 0.013 0.000 0.962 88 K HN 0.363 nan 8.250 nan 0.000 0.474 89 P HA -0.112 nan 4.420 nan 0.000 0.264 89 P C -0.503 176.868 177.300 0.118 0.000 1.173 89 P CA 0.140 63.286 63.100 0.076 0.000 0.761 89 P CB 0.529 32.271 31.700 0.071 0.000 0.794 90 V N 3.643 123.641 119.914 0.140 0.000 2.715 90 V HA 0.320 4.442 4.120 0.003 0.000 0.310 90 V C 0.490 176.771 176.094 0.312 0.000 1.054 90 V CA -0.663 61.759 62.300 0.203 0.000 0.928 90 V CB 1.229 33.135 31.823 0.138 0.000 1.007 90 V HN 0.332 nan 8.190 nan 0.000 0.437 91 F N 1.760 121.753 119.950 0.072 0.000 2.444 91 F HA 0.291 4.820 4.527 0.003 0.000 0.331 91 F C 0.596 176.505 175.800 0.182 0.000 1.167 91 F CA -0.283 57.783 58.000 0.109 0.000 1.262 91 F CB 0.206 39.264 39.000 0.097 0.000 1.196 91 F HN 0.541 nan 8.300 nan 0.000 0.583 92 H N 1.847 121.022 119.070 0.176 0.000 2.581 92 H HA 0.366 4.924 4.556 0.003 0.000 0.308 92 H C 0.843 176.270 175.328 0.165 0.000 1.040 92 H CA -0.763 55.397 56.048 0.187 0.000 1.231 92 H CB 0.999 30.898 29.762 0.229 0.000 1.396 92 H HN 0.463 nan 8.280 nan 0.000 0.467 93 V N 3.048 123.210 119.914 0.414 0.000 2.277 93 V HA -0.322 3.800 4.120 0.003 0.000 0.255 93 V C 2.376 178.496 176.094 0.043 0.000 1.074 93 V CA 2.180 64.618 62.300 0.230 0.000 1.058 93 V CB -1.254 30.663 31.823 0.158 0.000 0.656 93 V HN 0.897 nan 8.190 nan 0.000 0.449 94 G N -1.064 107.653 108.800 -0.138 0.000 2.470 94 G HA2 -0.135 3.827 3.960 0.003 0.000 0.220 94 G HA3 -0.135 3.827 3.960 0.003 0.000 0.220 94 G C 1.153 175.481 174.900 -0.954 0.000 1.121 94 G CA 0.822 45.377 45.100 -0.908 0.000 0.766 94 G HN 0.596 nan 8.290 nan 0.000 0.553 95 F N -0.165 119.495 119.950 -0.483 0.000 2.678 95 F HA 0.411 4.940 4.527 0.003 0.000 0.305 95 F C 2.089 177.830 175.800 -0.098 0.000 1.090 95 F CA -0.654 57.171 58.000 -0.291 0.000 1.272 95 F CB 0.197 39.006 39.000 -0.318 0.000 1.060 95 F HN 0.022 nan 8.300 nan 0.000 0.576 96 I N 0.451 121.102 120.570 0.136 0.000 2.127 96 I HA -0.354 3.818 4.170 0.003 0.000 0.241 96 I C 2.730 178.951 176.117 0.173 0.000 1.075 96 I CA 1.529 62.970 61.300 0.235 0.000 1.334 96 I CB -0.696 37.464 38.000 0.266 0.000 1.040 96 I HN 0.169 nan 8.210 nan 0.000 0.405 97 A N 0.588 123.461 122.820 0.088 0.000 1.948 97 A HA -0.221 4.101 4.320 0.003 0.000 0.220 97 A C 2.330 179.956 177.584 0.070 0.000 1.177 97 A CA 1.638 53.711 52.037 0.061 0.000 0.636 97 A CB -0.366 18.634 19.000 0.000 0.000 0.815 97 A HN 0.263 nan 8.150 nan 0.000 0.449 98 K N -0.227 120.223 120.400 0.083 0.000 1.991 98 K HA -0.001 4.321 4.320 0.003 0.000 0.207 98 K C 1.924 178.653 176.600 0.216 0.000 1.045 98 K CA 1.300 57.671 56.287 0.139 0.000 0.937 98 K CB -0.763 31.837 32.500 0.166 0.000 0.720 98 K HN 0.596 nan 8.250 nan 0.000 0.438 99 I N 1.824 122.531 120.570 0.228 0.000 2.113 99 I HA -0.414 3.758 4.170 0.003 0.000 0.242 99 I C 2.283 178.599 176.117 0.331 0.000 1.057 99 I CA 1.727 63.202 61.300 0.290 0.000 1.314 99 I CB -0.510 37.578 38.000 0.147 0.000 1.022 99 I HN 0.216 nan 8.210 nan 0.000 0.408 100 K N 1.342 121.911 120.400 0.283 0.000 1.980 100 K HA -0.256 4.066 4.320 0.003 0.000 0.223 100 K C 1.962 178.750 176.600 0.313 0.000 1.052 100 K CA 1.948 58.401 56.287 0.276 0.000 0.974 100 K CB -0.476 32.161 32.500 0.229 0.000 0.734 100 K HN 0.261 nan 8.250 nan 0.000 0.447 101 K N 0.793 121.345 120.400 0.253 0.000 2.304 101 K HA -0.173 4.149 4.320 0.003 0.000 0.204 101 K C 2.011 178.827 176.600 0.360 0.000 1.044 101 K CA 1.306 57.695 56.287 0.169 0.000 0.932 101 K CB -0.230 31.979 32.500 -0.484 0.000 0.735 101 K HN 0.041 nan 8.250 nan 0.000 0.468 102 V N 0.165 120.313 119.914 0.390 0.000 2.379 102 V HA -0.222 3.900 4.120 0.003 0.000 0.243 102 V C 2.368 178.613 176.094 0.251 0.000 1.035 102 V CA 1.331 63.827 62.300 0.328 0.000 1.035 102 V CB -0.262 31.630 31.823 0.115 0.000 0.673 102 V HN 0.410 nan 8.190 nan 0.000 0.457 103 C N 0.394 119.879 119.300 0.309 0.000 2.453 103 C HA -0.130 4.332 4.460 0.003 0.000 0.277 103 C C 2.603 177.728 174.990 0.224 0.000 1.262 103 C CA 0.882 60.070 59.018 0.283 0.000 1.718 103 C CB -1.058 26.870 27.740 0.314 0.000 2.031 103 C HN 0.617 nan 8.230 nan 0.000 0.480 104 E N -0.889 119.466 120.200 0.259 0.000 2.401 104 E HA -0.205 4.147 4.350 0.003 0.000 0.199 104 E C 1.915 178.632 176.600 0.195 0.000 1.023 104 E CA 0.893 57.415 56.400 0.203 0.000 0.859 104 E CB -0.168 29.692 29.700 0.267 0.000 0.780 104 E HN 0.696 nan 8.360 nan 0.000 0.523 105 C N 0.358 119.825 119.300 0.278 0.000 2.611 105 C HA 0.153 4.615 4.460 0.003 0.000 0.282 105 C C 0.756 175.841 174.990 0.158 0.000 1.321 105 C CA -0.207 58.963 59.018 0.253 0.000 1.747 105 C CB 0.135 28.096 27.740 0.368 0.000 2.124 105 C HN -0.017 nan 8.230 nan 0.000 0.531 106 V N 0.344 120.340 119.914 0.136 0.000 2.680 106 V HA 0.340 4.462 4.120 0.003 0.000 0.309 106 V C -0.117 176.040 176.094 0.105 0.000 1.052 106 V CA -0.827 61.528 62.300 0.093 0.000 0.908 106 V CB 1.163 33.011 31.823 0.041 0.000 1.001 106 V HN 0.340 nan 8.190 nan 0.000 0.431 107 C N 6.808 126.167 119.300 0.098 0.000 2.593 107 C HA 0.444 4.906 4.460 0.003 0.000 0.409 107 C C 0.630 175.698 174.990 0.129 0.000 1.304 107 C CA -0.702 58.385 59.018 0.116 0.000 2.007 107 C CB -0.278 27.532 27.740 0.118 0.000 2.614 107 C HN 0.793 nan 8.230 nan 0.000 0.585 108 M N 6.016 125.690 119.600 0.123 0.000 2.232 108 M HA 0.251 4.733 4.480 0.003 0.000 0.321 108 M C 1.109 177.452 176.300 0.071 0.000 1.101 108 M CA 0.852 56.178 55.300 0.044 0.000 1.181 108 M CB -0.177 32.385 32.600 -0.062 0.000 1.432 108 M HN 0.941 nan 8.290 nan 0.000 0.457 109 H N -0.083 119.078 119.070 0.152 0.000 4.692 109 H HA -0.187 4.371 4.556 0.003 0.000 0.063 109 H C 1.282 176.666 175.328 0.093 0.000 0.623 109 H CA 1.916 58.031 56.048 0.113 0.000 0.906 109 H CB -1.429 28.384 29.762 0.084 0.000 0.412 109 H HN 0.902 nan 8.280 nan 0.000 0.813 110 C N 3.234 122.661 119.300 0.212 0.000 2.754 110 C HA 0.669 5.132 4.460 0.003 0.000 0.276 110 C C 1.547 176.593 174.990 0.093 0.000 1.264 110 C CA 0.917 60.000 59.018 0.108 0.000 1.700 110 C CB -0.841 26.940 27.740 0.068 0.000 1.885 110 C HN 1.214 nan 8.230 nan 0.000 0.607 111 G N 2.017 110.892 108.800 0.125 0.000 2.306 111 G HA2 -0.235 3.727 3.960 0.003 0.000 0.274 111 G HA3 -0.235 3.727 3.960 0.003 0.000 0.274 111 G C -0.264 174.662 174.900 0.043 0.000 0.890 111 G CA 1.068 46.226 45.100 0.097 0.000 1.298 111 G HN 0.977 nan 8.290 nan 0.000 0.445 112 K N -0.139 120.288 120.400 0.046 0.000 2.409 112 K HA 0.688 5.010 4.320 0.003 0.000 0.252 112 K C 0.269 176.891 176.600 0.036 0.000 1.036 112 K CA -1.307 54.995 56.287 0.024 0.000 0.871 112 K CB 1.141 33.657 32.500 0.028 0.000 1.374 112 K HN 0.135 nan 8.250 nan 0.000 0.459 113 L N 3.966 125.207 121.223 0.031 0.000 2.360 113 L HA 0.156 4.498 4.340 0.003 0.000 0.276 113 L C 1.252 178.154 176.870 0.054 0.000 1.121 113 L CA -0.233 54.635 54.840 0.046 0.000 0.845 113 L CB 0.602 42.686 42.059 0.041 0.000 1.143 113 L HN 0.686 nan 8.230 nan 0.000 0.452 114 L N 4.492 125.751 121.223 0.059 0.000 2.556 114 L HA -0.080 4.262 4.340 0.003 0.000 0.230 114 L C 0.253 177.155 176.870 0.052 0.000 1.163 114 L CA 0.979 55.851 54.840 0.054 0.000 0.819 114 L CB -0.600 41.487 42.059 0.046 0.000 0.939 114 L HN 0.506 nan 8.230 nan 0.000 0.452 115 L N -1.786 119.470 121.223 0.055 0.000 2.469 115 L HA 0.530 4.872 4.340 0.003 0.000 0.256 115 L C -1.287 175.613 176.870 0.051 0.000 1.006 115 L CA -0.800 54.075 54.840 0.058 0.000 0.832 115 L CB 2.473 44.559 42.059 0.044 0.000 1.421 115 L HN -0.203 nan 8.230 nan 0.000 0.410 116 D N -0.548 119.884 120.400 0.053 0.000 2.610 116 D HA 0.202 4.844 4.640 0.003 0.000 0.271 116 D C 0.090 176.307 176.300 -0.139 0.000 1.174 116 D CA -0.503 53.468 54.000 -0.049 0.000 0.949 116 D CB 1.822 42.585 40.800 -0.062 0.000 1.430 116 D HN 0.494 nan 8.370 nan 0.000 0.467 117 E N -0.350 119.697 120.200 -0.254 0.000 2.253 117 E HA -0.254 4.098 4.350 0.003 0.000 0.202 117 E C 1.517 178.021 176.600 -0.160 0.000 1.014 117 E CA 1.397 57.676 56.400 -0.202 0.000 0.823 117 E CB -0.221 29.351 29.700 -0.213 0.000 0.736 117 E HN 0.393 nan 8.360 nan 0.000 0.478 118 H N 0.398 119.473 119.070 0.009 0.000 2.289 118 H HA -0.114 4.444 4.556 0.003 0.000 0.294 118 H C 1.084 176.416 175.328 0.007 0.000 1.095 118 H CA 1.169 57.222 56.048 0.007 0.000 1.256 118 H CB -0.670 29.096 29.762 0.006 0.000 1.359 118 H HN 0.145 nan 8.280 nan 0.000 0.487 119 N N 1.620 120.391 118.700 0.118 0.000 2.497 119 N HA -0.088 4.654 4.740 0.003 0.000 0.268 119 N C 1.059 176.591 175.510 0.036 0.000 1.171 119 N CA 0.239 53.329 53.050 0.066 0.000 0.948 119 N CB 1.155 39.673 38.487 0.052 0.000 1.069 119 N HN 0.420 nan 8.380 nan 0.000 0.460 120 E N 3.269 123.487 120.200 0.030 0.000 2.358 120 E HA -0.021 4.331 4.350 0.003 0.000 0.195 120 E C 1.231 177.840 176.600 0.014 0.000 1.010 120 E CA 0.422 56.834 56.400 0.019 0.000 0.856 120 E CB 0.253 29.963 29.700 0.018 0.000 0.795 120 E HN 0.653 nan 8.360 nan 0.000 0.504 121 L N 0.126 121.357 121.223 0.014 0.000 2.418 121 L HA 0.006 4.349 4.340 0.003 0.000 0.218 121 L C 2.205 179.083 176.870 0.013 0.000 1.125 121 L CA 0.146 54.993 54.840 0.011 0.000 0.835 121 L CB 0.019 42.082 42.059 0.007 0.000 0.953 121 L HN 0.275 nan 8.230 nan 0.000 0.454 122 M N -0.587 119.022 119.600 0.015 0.000 2.435 122 M HA 0.006 4.488 4.480 0.003 0.000 0.265 122 M C 2.139 178.445 176.300 0.011 0.000 1.104 122 M CA 1.378 56.688 55.300 0.016 0.000 1.140 122 M CB -0.120 32.490 32.600 0.017 0.000 1.372 122 M HN -0.058 nan 8.290 nan 0.000 0.456 123 R N -0.217 120.287 120.500 0.006 0.000 2.070 123 R HA -0.113 4.229 4.340 0.003 0.000 0.232 123 R C 2.136 178.441 176.300 0.009 0.000 1.138 123 R CA 2.073 58.173 56.100 0.001 0.000 0.936 123 R CB -0.702 29.598 30.300 -0.001 0.000 0.839 123 R HN 0.515 nan 8.270 nan 0.000 0.429 124 Q N 0.041 119.848 119.800 0.012 0.000 2.248 124 Q HA -0.137 4.205 4.340 0.003 0.000 0.208 124 Q C 1.814 177.826 176.000 0.021 0.000 0.984 124 Q CA 1.485 57.297 55.803 0.015 0.000 0.875 124 Q CB -0.082 28.665 28.738 0.014 0.000 0.910 124 Q HN 0.377 nan 8.270 nan 0.000 0.433 125 A N -0.050 122.784 122.820 0.023 0.000 2.218 125 A HA 0.081 4.403 4.320 0.003 0.000 0.209 125 A C 1.720 179.328 177.584 0.040 0.000 1.168 125 A CA 0.247 52.304 52.037 0.033 0.000 0.804 125 A CB 0.072 19.093 19.000 0.035 0.000 0.834 125 A HN 0.244 nan 8.150 nan 0.000 0.482 126 L N -1.645 119.597 121.223 0.031 0.000 2.463 126 L HA 0.107 4.449 4.340 0.003 0.000 0.219 126 L C 2.621 179.509 176.870 0.031 0.000 1.088 126 L CA 0.798 55.657 54.840 0.032 0.000 0.849 126 L CB -0.131 41.939 42.059 0.018 0.000 1.012 126 L HN 0.384 nan 8.230 nan 0.000 0.468 127 A N 0.172 123.007 122.820 0.026 0.000 2.123 127 A HA 0.111 4.433 4.320 0.003 0.000 0.214 127 A C 1.179 178.781 177.584 0.029 0.000 1.152 127 A CA -0.048 52.004 52.037 0.024 0.000 0.728 127 A CB -0.325 18.686 19.000 0.019 0.000 0.814 127 A HN 0.230 nan 8.150 nan 0.000 0.464 128 I N 0.740 121.331 120.570 0.034 0.000 2.752 128 I HA -0.066 4.106 4.170 0.003 0.000 0.289 128 I C 0.353 176.494 176.117 0.041 0.000 1.197 128 I CA 0.620 61.942 61.300 0.037 0.000 1.432 128 I CB 0.586 38.611 38.000 0.043 0.000 1.359 128 I HN 0.170 nan 8.210 nan 0.000 0.571 129 K N 5.835 126.256 120.400 0.036 0.000 3.016 129 K HA 0.294 4.616 4.320 0.003 0.000 0.226 129 K C -1.189 175.431 176.600 0.034 0.000 1.245 129 K CA -0.210 56.098 56.287 0.035 0.000 1.174 129 K CB 0.112 32.629 32.500 0.030 0.000 1.572 129 K HN 0.503 nan 8.250 nan 0.000 0.462 130 D N 0.249 120.673 120.400 0.040 0.000 2.738 130 D HA -0.036 4.606 4.640 0.003 0.000 0.218 130 D C 0.864 177.192 176.300 0.047 0.000 1.345 130 D CA -0.059 53.962 54.000 0.034 0.000 0.943 130 D CB 1.971 42.789 40.800 0.029 0.000 1.514 130 D HN 0.195 nan 8.370 nan 0.000 0.585 131 S N 3.070 118.789 115.700 0.032 0.000 2.404 131 S HA -0.321 4.151 4.470 0.003 0.000 0.230 131 S C 1.578 176.228 174.600 0.084 0.000 1.046 131 S CA 1.099 59.319 58.200 0.034 0.000 1.135 131 S CB -0.225 62.951 63.200 -0.039 0.000 1.056 131 S HN 0.468 nan 8.310 nan 0.000 0.426 132 K N 1.399 121.832 120.400 0.054 0.000 2.089 132 K HA -0.145 4.177 4.320 0.003 0.000 0.210 132 K C 2.500 179.151 176.600 0.085 0.000 1.048 132 K CA 1.922 58.255 56.287 0.076 0.000 0.926 132 K CB -0.250 32.267 32.500 0.028 0.000 0.714 132 K HN 0.513 nan 8.250 nan 0.000 0.448 133 K N 0.234 120.674 120.400 0.067 0.000 2.076 133 K HA -0.037 4.285 4.320 0.003 0.000 0.204 133 K C 2.246 178.893 176.600 0.078 0.000 1.051 133 K CA 0.728 57.051 56.287 0.060 0.000 0.949 133 K CB 0.004 32.531 32.500 0.045 0.000 0.726 133 K HN 0.091 nan 8.250 nan 0.000 0.443 134 R N 0.565 121.127 120.500 0.102 0.000 2.107 134 R HA -0.130 4.212 4.340 0.003 0.000 0.223 134 R C 2.185 178.583 176.300 0.164 0.000 1.138 134 R CA 1.743 57.917 56.100 0.123 0.000 0.900 134 R CB -0.826 29.557 30.300 0.138 0.000 0.814 134 R HN 0.120 nan 8.270 nan 0.000 0.437 135 F N 1.517 121.504 119.950 0.060 0.000 2.204 135 F HA -0.324 4.205 4.527 0.003 0.000 0.301 135 F C 1.964 177.814 175.800 0.084 0.000 1.058 135 F CA 1.525 59.567 58.000 0.069 0.000 1.313 135 F CB -0.301 38.717 39.000 0.029 0.000 1.051 135 F HN 0.141 nan 8.300 nan 0.000 0.505 136 A N -0.284 122.498 122.820 -0.064 0.000 1.911 136 A HA 0.260 4.582 4.320 0.003 0.000 0.212 136 A C 2.399 180.001 177.584 0.029 0.000 1.189 136 A CA 1.023 52.998 52.037 -0.104 0.000 0.639 136 A CB -1.367 17.621 19.000 -0.020 0.000 0.839 136 A HN 0.438 nan 8.150 nan 0.000 0.449 137 A N 0.259 123.106 122.820 0.045 0.000 1.873 137 A HA -0.042 4.280 4.320 0.003 0.000 0.215 137 A C 2.099 179.717 177.584 0.056 0.000 1.186 137 A CA 1.419 53.487 52.037 0.052 0.000 0.616 137 A CB -0.640 18.388 19.000 0.047 0.000 0.823 137 A HN 0.462 nan 8.150 nan 0.000 0.442 138 I N -2.398 118.213 120.570 0.068 0.000 2.091 138 I HA -0.316 3.857 4.170 0.003 0.000 0.239 138 I C 2.398 178.568 176.117 0.088 0.000 1.061 138 I CA 1.912 63.260 61.300 0.080 0.000 1.317 138 I CB -0.471 37.603 38.000 0.123 0.000 1.031 138 I HN 0.675 nan 8.210 nan 0.000 0.401 139 W N 1.923 123.118 121.300 -0.176 0.000 2.247 139 W HA -0.338 4.324 4.660 0.004 0.000 0.330 139 W C 2.804 179.251 176.519 -0.121 0.000 1.278 139 W CA 2.757 59.978 57.345 -0.206 0.000 1.174 139 W CB -1.131 28.092 29.460 -0.394 0.000 1.153 139 W HN 0.032 nan 8.180 nan 0.000 0.464 140 T N 1.385 115.948 114.554 0.015 0.000 2.755 140 T HA -0.277 4.075 4.350 0.003 0.000 0.266 140 T C 1.803 176.418 174.700 -0.142 0.000 1.041 140 T CA 2.006 64.019 62.100 -0.145 0.000 1.147 140 T CB -0.553 68.309 68.868 -0.009 0.000 0.847 140 T HN 0.198 nan 8.240 nan 0.000 0.478 141 L N 0.291 121.473 121.223 -0.069 0.000 2.446 141 L HA 0.101 4.443 4.340 0.003 0.000 0.219 141 L C 1.282 178.114 176.870 -0.064 0.000 1.116 141 L CA 0.451 55.259 54.840 -0.053 0.000 0.844 141 L CB 0.071 42.123 42.059 -0.012 0.000 0.970 141 L HN 0.457 nan 8.230 nan 0.000 0.457 142 C N -2.652 116.598 119.300 -0.082 0.000 2.887 142 C HA 0.273 4.735 4.460 0.003 0.000 0.240 142 C C 1.446 176.358 174.990 -0.131 0.000 1.872 142 C CA -0.862 58.114 59.018 -0.070 0.000 1.626 142 C CB -0.994 26.743 27.740 -0.006 0.000 3.115 142 C HN 0.424 nan 8.230 nan 0.000 0.488 143 K N -0.211 120.034 120.400 -0.258 0.000 2.370 143 K HA 0.132 4.454 4.320 0.003 0.000 0.194 143 K C 1.230 177.677 176.600 -0.255 0.000 1.070 143 K CA 0.710 56.773 56.287 -0.374 0.000 0.998 143 K CB -0.262 31.757 32.500 -0.801 0.000 0.911 143 K HN 0.202 nan 8.250 nan 0.000 0.533 144 T N 1.300 115.734 114.554 -0.199 0.000 2.894 144 T HA 0.039 4.391 4.350 0.003 0.000 0.258 144 T C 0.337 174.982 174.700 -0.092 0.000 1.043 144 T CA 0.583 62.599 62.100 -0.140 0.000 1.141 144 T CB 0.040 68.838 68.868 -0.116 0.000 0.873 144 T HN 0.157 nan 8.240 nan 0.000 0.449 145 K N 1.591 121.946 120.400 -0.074 0.000 2.412 145 K HA 0.243 4.565 4.320 0.003 0.000 0.281 145 K C -0.086 176.495 176.600 -0.031 0.000 1.027 145 K CA 0.466 56.730 56.287 -0.039 0.000 0.989 145 K CB 0.401 32.888 32.500 -0.022 0.000 0.935 145 K HN 0.268 nan 8.250 nan 0.000 0.475 146 M N 2.860 122.451 119.600 -0.014 0.000 3.002 146 M HA 0.174 4.656 4.480 0.003 0.000 0.398 146 M C -1.265 175.056 176.300 0.034 0.000 1.366 146 M CA -0.306 54.994 55.300 -0.001 0.000 0.824 146 M CB 1.032 33.618 32.600 -0.022 0.000 1.414 146 M HN 0.121 nan 8.290 nan 0.000 0.501 147 V N -0.011 119.926 119.914 0.038 0.000 2.697 147 V HA 0.149 4.271 4.120 0.003 0.000 0.300 147 V C -0.693 175.432 176.094 0.052 0.000 1.115 147 V CA -1.207 61.124 62.300 0.053 0.000 0.912 147 V CB 2.203 34.049 31.823 0.038 0.000 1.024 147 V HN 0.476 nan 8.190 nan 0.000 0.431 148 C N 5.489 124.829 119.300 0.068 0.000 2.573 148 C HA 0.250 4.712 4.460 0.003 0.000 0.369 148 C C 0.953 175.969 174.990 0.044 0.000 1.205 148 C CA -0.267 58.789 59.018 0.062 0.000 1.535 148 C CB -1.480 26.308 27.740 0.079 0.000 2.159 148 C HN 0.910 nan 8.230 nan 0.000 0.558 149 E N 3.809 124.030 120.200 0.035 0.000 2.480 149 E HA -0.001 4.351 4.350 0.003 0.000 0.258 149 E C 1.038 177.646 176.600 0.014 0.000 0.984 149 E CA 0.288 56.700 56.400 0.021 0.000 0.930 149 E CB 0.759 30.470 29.700 0.017 0.000 0.936 149 E HN 0.700 nan 8.360 nan 0.000 0.466 150 T N 2.406 116.962 114.554 0.003 0.000 3.054 150 T HA 0.006 4.358 4.350 0.003 0.000 0.259 150 T C -0.140 174.545 174.700 -0.025 0.000 1.092 150 T CA 0.467 62.565 62.100 -0.004 0.000 1.121 150 T CB 0.220 69.085 68.868 -0.005 0.000 0.912 150 T HN 0.428 nan 8.240 nan 0.000 0.489 151 D N 0.159 120.538 120.400 -0.035 0.000 2.736 151 D HA 0.508 5.150 4.640 0.003 0.000 0.223 151 D C -1.354 174.904 176.300 -0.071 0.000 1.231 151 D CA -0.323 53.637 54.000 -0.066 0.000 0.818 151 D CB 2.980 43.748 40.800 -0.052 0.000 1.587 151 D HN -0.083 nan 8.370 nan 0.000 0.463 152 V N 1.212 121.055 119.914 -0.118 0.000 2.888 152 V HA 0.384 4.506 4.120 0.003 0.000 0.309 152 V C -2.475 173.562 176.094 -0.094 0.000 1.114 152 V CA -1.685 60.560 62.300 -0.091 0.000 0.940 152 V CB 2.553 34.328 31.823 -0.081 0.000 1.021 152 V HN 0.392 nan 8.190 nan 0.000 0.426 153 P HA 0.075 nan 4.420 nan 0.000 0.261 153 P C 0.344 177.631 177.300 -0.022 0.000 1.203 153 P CA 0.368 63.450 63.100 -0.031 0.000 0.767 153 P CB 0.572 32.264 31.700 -0.013 0.000 0.785 162 V N 0.290 120.137 119.914 -0.110 0.000 2.667 162 V HA 0.612 4.734 4.120 0.003 0.000 0.308 162 V C 0.008 176.013 176.094 -0.149 0.000 1.048 162 V CA -0.578 61.637 62.300 -0.141 0.000 0.928 162 V CB 2.093 33.776 31.823 -0.234 0.000 1.004 162 V HN 0.831 nan 8.190 nan 0.000 0.444 163 S N 4.587 120.227 115.700 -0.101 0.000 2.480 163 S HA 0.809 5.281 4.470 0.003 0.000 0.286 163 S C -0.310 174.257 174.600 -0.054 0.000 1.180 163 S CA -0.841 57.318 58.200 -0.069 0.000 1.075 163 S CB 1.503 64.681 63.200 -0.036 0.000 0.996 163 S HN 0.877 nan 8.310 nan 0.000 0.487 164 R N 1.842 122.322 120.500 -0.033 0.000 3.416 164 R HA 0.782 5.124 4.340 0.003 0.000 0.236 164 R C 0.434 176.747 176.300 0.022 0.000 1.576 164 R CA -0.963 55.150 56.100 0.021 0.000 1.011 164 R CB -0.453 29.881 30.300 0.056 0.000 1.670 164 R HN 0.664 nan 8.270 nan 0.000 0.519 165 G N -0.140 108.682 108.800 0.037 0.000 2.225 165 G HA2 0.345 4.307 3.960 0.003 0.000 0.245 165 G HA3 0.345 4.307 3.960 0.003 0.000 0.245 165 G C -0.094 174.819 174.900 0.021 0.000 1.249 165 G CA 0.124 45.241 45.100 0.028 0.000 0.919 165 G HN 0.641 nan 8.290 nan 0.000 0.486 166 G N 0.057 108.865 108.800 0.013 0.000 2.335 166 G HA2 0.553 4.515 3.960 0.003 0.000 0.316 166 G HA3 0.553 4.515 3.960 0.003 0.000 0.316 166 G C 0.145 175.051 174.900 0.010 0.000 1.129 166 G CA 0.117 45.222 45.100 0.008 0.000 0.899 166 G HN 1.909 nan 8.290 nan 0.000 0.448 167 C N 0.845 120.154 119.300 0.015 0.000 2.063 167 C HA 0.136 4.598 4.460 0.003 0.000 0.400 167 C C 1.121 176.132 174.990 0.035 0.000 0.625 167 C CA -0.849 58.178 59.018 0.015 0.000 0.642 167 C CB -0.782 26.971 27.740 0.020 0.000 1.050 167 C HN 1.237 nan 8.230 nan 0.000 0.753 168 G N 2.051 110.868 108.800 0.027 0.000 2.894 168 G HA2 -0.019 3.943 3.960 0.003 0.000 0.203 168 G HA3 -0.019 3.943 3.960 0.003 0.000 0.203 168 G C 0.511 175.448 174.900 0.061 0.000 1.173 168 G CA 0.308 45.432 45.100 0.040 0.000 0.854 168 G HN 0.901 nan 8.290 nan 0.000 0.510 169 N N 1.142 119.886 118.700 0.073 0.000 2.293 169 N HA -0.031 4.711 4.740 0.003 0.000 0.253 169 N C 0.382 175.995 175.510 0.173 0.000 1.248 169 N CA 0.760 53.880 53.050 0.115 0.000 0.845 169 N CB 0.500 39.078 38.487 0.152 0.000 1.073 169 N HN -0.025 nan 8.380 nan 0.000 0.464 170 T N 2.723 117.401 114.554 0.208 0.000 2.919 170 T HA 0.075 4.427 4.350 0.003 0.000 0.302 170 T C 0.718 175.619 174.700 0.336 0.000 1.031 170 T CA -0.288 61.955 62.100 0.239 0.000 1.127 170 T CB 0.706 69.727 68.868 0.256 0.000 0.952 170 T HN 0.289 nan 8.240 nan 0.000 0.540 171 Q N 3.238 123.143 119.800 0.176 0.000 2.260 171 Q HA 0.341 4.683 4.340 0.003 0.000 0.242 171 Q C -2.180 173.713 176.000 -0.178 0.000 0.932 171 Q CA -1.968 53.891 55.803 0.094 0.000 0.891 171 Q CB 0.642 29.405 28.738 0.042 0.000 1.222 171 Q HN 0.416 nan 8.270 nan 0.000 0.453 172 P HA 0.077 nan 4.420 nan 0.000 0.282 172 P C -0.911 176.125 177.300 -0.441 0.000 1.249 172 P CA -0.413 62.162 63.100 -0.875 0.000 0.806 172 P CB 0.969 32.018 31.700 -1.084 0.000 0.984 173 T N 4.129 118.433 114.554 -0.418 0.000 3.162 173 T HA 0.328 4.680 4.350 0.003 0.000 0.316 173 T C 0.714 175.298 174.700 -0.193 0.000 1.182 173 T CA -0.198 61.767 62.100 -0.225 0.000 1.015 173 T CB -0.942 67.823 68.868 -0.171 0.000 1.089 173 T HN 0.236 nan 8.240 nan 0.000 0.646 174 I N 4.105 124.594 120.570 -0.135 0.000 2.588 174 I HA 0.307 4.479 4.170 0.003 0.000 0.283 174 I C 0.901 177.008 176.117 -0.015 0.000 1.119 174 I CA -0.298 60.960 61.300 -0.069 0.000 1.419 174 I CB 0.410 38.410 38.000 -0.000 0.000 1.394 174 I HN 0.453 nan 8.210 nan 0.000 0.562 175 R N 5.205 125.699 120.500 -0.009 0.000 2.628 175 R HA 0.501 4.843 4.340 0.003 0.000 0.288 175 R C -1.113 175.202 176.300 0.026 0.000 0.980 175 R CA -1.103 55.004 56.100 0.012 0.000 0.891 175 R CB 1.791 32.088 30.300 -0.005 0.000 1.188 175 R HN 0.488 nan 8.270 nan 0.000 0.450 176 K N 2.100 122.527 120.400 0.044 0.000 2.249 176 K HA 0.113 4.435 4.320 0.003 0.000 0.280 176 K C -1.087 175.530 176.600 0.027 0.000 1.033 176 K CA -0.166 56.149 56.287 0.047 0.000 0.946 176 K CB 0.807 33.347 32.500 0.066 0.000 1.005 176 K HN 0.659 nan 8.250 nan 0.000 0.469 177 D N 3.213 123.623 120.400 0.017 0.000 2.365 177 D HA 0.212 4.854 4.640 0.003 0.000 0.235 177 D C 0.393 176.693 176.300 0.000 0.000 1.368 177 D CA 0.538 54.541 54.000 0.006 0.000 1.001 177 D CB 1.445 42.242 40.800 -0.005 0.000 1.364 177 D HN 0.859 nan 8.370 nan 0.000 0.577 178 G N 2.458 111.265 108.800 0.012 0.000 3.274 178 G HA2 -0.306 3.656 3.960 0.003 0.000 0.313 178 G HA3 -0.306 3.656 3.960 0.003 0.000 0.313 178 G C 0.467 175.391 174.900 0.041 0.000 1.295 178 G CA 0.573 45.682 45.100 0.015 0.000 1.004 178 G HN 0.494 nan 8.290 nan 0.000 0.614 179 L N 0.440 121.673 121.223 0.017 0.000 3.510 179 L HA 0.459 4.801 4.340 0.003 0.000 0.324 179 L C 0.233 177.048 176.870 -0.092 0.000 1.307 179 L CA -0.204 54.653 54.840 0.028 0.000 1.011 179 L CB 0.807 42.915 42.059 0.081 0.000 1.422 179 L HN 0.275 nan 8.230 nan 0.000 0.617 180 K N 0.908 121.247 120.400 -0.101 0.000 2.444 180 K HA 0.751 5.073 4.320 0.003 0.000 0.252 180 K C -1.166 175.375 176.600 -0.098 0.000 0.993 180 K CA -0.773 55.402 56.287 -0.186 0.000 0.847 180 K CB 2.998 35.411 32.500 -0.145 0.000 1.340 180 K HN -0.080 nan 8.250 nan 0.000 0.446 181 L N 1.767 122.929 121.223 -0.101 0.000 2.305 181 L HA 0.479 4.821 4.340 0.003 0.000 0.284 181 L C -0.867 175.998 176.870 -0.008 0.000 1.013 181 L CA -1.144 53.688 54.840 -0.012 0.000 0.819 181 L CB 1.673 43.762 42.059 0.049 0.000 1.227 181 L HN 0.230 nan 8.230 nan 0.000 0.417 182 V N 2.034 121.943 119.914 -0.008 0.000 2.435 182 V HA 0.759 4.881 4.120 0.003 0.000 0.290 182 V C 0.475 176.534 176.094 -0.058 0.000 1.030 182 V CA -0.406 61.888 62.300 -0.010 0.000 0.881 182 V CB 1.605 33.424 31.823 -0.007 0.000 0.983 182 V HN 0.869 nan 8.190 nan 0.000 0.445 183 G N 2.470 111.202 108.800 -0.113 0.000 2.524 183 G HA2 0.663 4.625 3.960 0.003 0.000 0.310 183 G HA3 0.663 4.625 3.960 0.003 0.000 0.310 183 G C -0.551 174.063 174.900 -0.476 0.000 1.279 183 G CA -0.439 44.449 45.100 -0.353 0.000 0.974 183 G HN 0.842 nan 8.290 nan 0.000 0.484 184 S N 0.607 116.026 115.700 -0.468 0.000 2.593 184 S HA 0.782 5.254 4.470 0.003 0.000 0.297 184 S C -0.821 173.531 174.600 -0.413 0.000 1.112 184 S CA -0.823 57.223 58.200 -0.257 0.000 1.043 184 S CB 1.793 64.933 63.200 -0.100 0.000 1.054 184 S HN 0.599 nan 8.310 nan 0.000 0.516 185 W N 0.690 122.001 121.300 0.019 0.000 2.799 185 W HA 0.687 5.349 4.660 0.003 0.000 0.349 185 W C 0.138 176.666 176.519 0.016 0.000 1.100 185 W CA -0.748 56.611 57.345 0.023 0.000 1.174 185 W CB 2.438 31.916 29.460 0.031 0.000 1.427 185 W HN 0.877 nan 8.180 nan 0.000 0.547 200 R N 1.545 122.214 120.500 0.281 0.000 2.902 200 R HA 0.904 5.246 4.340 0.003 0.000 0.258 200 R C -1.170 175.229 176.300 0.166 0.000 1.071 200 R CA -0.833 55.379 56.100 0.186 0.000 1.024 200 R CB 2.152 32.553 30.300 0.168 0.000 1.184 200 R HN 0.134 nan 8.270 nan 0.000 0.492 201 V N 2.493 122.461 119.914 0.088 0.000 2.407 201 V HA 0.255 4.377 4.120 0.003 0.000 0.278 201 V C 0.202 176.338 176.094 0.071 0.000 1.037 201 V CA -0.810 61.522 62.300 0.054 0.000 0.900 201 V CB 1.210 33.034 31.823 0.002 0.000 0.983 201 V HN 0.529 nan 8.190 nan 0.000 0.459 202 L N 5.538 126.800 121.223 0.066 0.000 2.312 202 L HA 0.299 4.641 4.340 0.003 0.000 0.287 202 L C 1.055 177.924 176.870 -0.000 0.000 1.091 202 L CA 0.079 54.963 54.840 0.074 0.000 0.846 202 L CB 0.463 42.580 42.059 0.096 0.000 1.219 202 L HN 0.877 nan 8.230 nan 0.000 0.439 203 S N 1.041 116.748 115.700 0.011 0.000 2.633 203 S HA 0.187 4.659 4.470 0.003 0.000 0.257 203 S C 1.160 175.767 174.600 0.011 0.000 1.265 203 S CA -0.224 57.965 58.200 -0.018 0.000 0.980 203 S CB 0.964 64.172 63.200 0.013 0.000 1.017 203 S HN 0.550 nan 8.310 nan 0.000 0.577 204 T N 0.927 115.499 114.554 0.030 0.000 2.809 204 T HA -0.013 4.339 4.350 0.003 0.000 0.260 204 T C 1.674 176.419 174.700 0.076 0.000 1.039 204 T CA 1.470 63.654 62.100 0.140 0.000 1.141 204 T CB -0.616 68.347 68.868 0.158 0.000 0.869 204 T HN 0.722 nan 8.240 nan 0.000 0.437 205 E N 1.244 121.472 120.200 0.047 0.000 2.130 205 E HA -0.194 4.158 4.350 0.003 0.000 0.196 205 E C 2.249 178.861 176.600 0.019 0.000 0.998 205 E CA 1.190 57.607 56.400 0.029 0.000 0.806 205 E CB -0.126 29.593 29.700 0.032 0.000 0.738 205 E HN 0.598 nan 8.360 nan 0.000 0.459 206 E N 0.500 120.719 120.200 0.030 0.000 2.001 206 E HA -0.202 4.150 4.350 0.003 0.000 0.195 206 E C 2.183 178.783 176.600 0.000 0.000 1.002 206 E CA 1.059 57.480 56.400 0.035 0.000 0.819 206 E CB -0.110 29.620 29.700 0.050 0.000 0.769 206 E HN 0.186 nan 8.360 nan 0.000 0.454 207 I N 1.405 121.951 120.570 -0.040 0.000 2.181 207 I HA -0.329 3.843 4.170 0.003 0.000 0.247 207 I C 2.531 178.440 176.117 -0.347 0.000 1.081 207 I CA 1.405 62.559 61.300 -0.243 0.000 1.340 207 I CB -1.335 36.461 38.000 -0.340 0.000 1.036 207 I HN 0.236 nan 8.210 nan 0.000 0.417 208 L N 0.413 121.511 121.223 -0.209 0.000 1.951 208 L HA -0.308 4.034 4.340 0.003 0.000 0.222 208 L C 2.573 179.369 176.870 -0.123 0.000 1.078 208 L CA 1.811 56.559 54.840 -0.153 0.000 0.778 208 L CB -0.663 41.354 42.059 -0.070 0.000 0.893 208 L HN 0.337 nan 8.230 nan 0.000 0.436 209 N N 0.266 118.897 118.700 -0.115 0.000 2.023 209 N HA -0.261 4.481 4.740 0.003 0.000 0.200 209 N C 1.783 177.158 175.510 -0.224 0.000 1.048 209 N CA 2.118 55.018 53.050 -0.250 0.000 0.872 209 N CB -0.621 37.880 38.487 0.024 0.000 1.070 209 N HN 0.299 nan 8.380 nan 0.000 0.441 210 I N 0.465 121.084 120.570 0.081 0.000 2.121 210 I HA -0.336 3.836 4.170 0.003 0.000 0.243 210 I C 2.046 178.345 176.117 0.304 0.000 1.047 210 I CA 1.522 62.969 61.300 0.246 0.000 1.308 210 I CB -0.498 37.694 38.000 0.321 0.000 1.015 210 I HN 0.028 nan 8.210 nan 0.000 0.410 211 F N 0.972 120.875 119.950 -0.079 0.000 2.206 211 F HA -0.093 4.436 4.527 0.003 0.000 0.298 211 F C 2.451 178.185 175.800 -0.111 0.000 1.090 211 F CA 1.128 59.069 58.000 -0.098 0.000 1.323 211 F CB -0.809 38.102 39.000 -0.148 0.000 1.028 211 F HN -0.025 nan 8.300 nan 0.000 0.492 212 K N -0.798 119.597 120.400 -0.009 0.000 2.148 212 K HA -0.125 4.197 4.320 0.003 0.000 0.204 212 K C 1.614 178.167 176.600 -0.078 0.000 1.050 212 K CA 1.062 57.283 56.287 -0.110 0.000 0.942 212 K CB -0.247 32.123 32.500 -0.218 0.000 0.724 212 K HN 0.304 nan 8.250 nan 0.000 0.446 213 H N 0.330 119.427 119.070 0.046 0.000 2.548 213 H HA 0.124 4.682 4.556 0.003 0.000 0.268 213 H C 0.773 176.063 175.328 -0.063 0.000 0.975 213 H CA 0.204 56.253 56.048 0.002 0.000 1.195 213 H CB -0.190 29.586 29.762 0.024 0.000 1.397 213 H HN 0.086 nan 8.280 nan 0.000 0.572 214 I N 2.393 122.969 120.570 0.010 0.000 2.752 214 I HA -0.090 4.082 4.170 0.003 0.000 0.287 214 I C 0.859 176.685 176.117 -0.486 0.000 1.188 214 I CA 0.121 61.313 61.300 -0.181 0.000 1.427 214 I CB 0.519 38.435 38.000 -0.140 0.000 1.365 214 I HN 0.120 nan 8.210 nan 0.000 0.585 215 S N 4.555 119.955 115.700 -0.499 0.000 2.585 215 S HA 0.272 4.744 4.470 0.003 0.000 0.277 215 S C 1.068 175.167 174.600 -0.835 0.000 1.241 215 S CA -1.025 56.854 58.200 -0.535 0.000 1.041 215 S CB 1.857 64.894 63.200 -0.271 0.000 0.987 215 S HN 0.407 nan 8.310 nan 0.000 0.512 216 V N 3.155 122.663 119.914 -0.675 0.000 2.236 216 V HA -0.319 3.803 4.120 0.003 0.000 0.255 216 V C 2.681 178.637 176.094 -0.229 0.000 1.068 216 V CA 2.510 64.542 62.300 -0.446 0.000 1.044 216 V CB -1.147 30.594 31.823 -0.137 0.000 0.653 216 V HN 0.969 nan 8.190 nan 0.000 0.448 217 K N -0.409 119.897 120.400 -0.158 0.000 2.160 217 K HA -0.231 4.091 4.320 0.003 0.000 0.206 217 K C 1.836 178.410 176.600 -0.044 0.000 1.047 217 K CA 1.737 57.985 56.287 -0.065 0.000 0.930 217 K CB -0.354 32.110 32.500 -0.059 0.000 0.720 217 K HN 0.584 nan 8.250 nan 0.000 0.450 218 D N -0.076 120.246 120.400 -0.130 0.000 2.224 218 D HA -0.069 4.574 4.640 0.003 0.000 0.205 218 D C 1.765 178.116 176.300 0.085 0.000 0.965 218 D CA 0.841 54.807 54.000 -0.058 0.000 0.852 218 D CB -0.089 40.631 40.800 -0.133 0.000 0.947 218 D HN 0.204 nan 8.370 nan 0.000 0.494 219 F N 1.438 121.353 119.950 -0.058 0.000 2.014 219 F HA -0.192 4.338 4.527 0.004 0.000 0.295 219 F C 2.729 178.587 175.800 0.096 0.000 1.145 219 F CA 0.805 58.786 58.000 -0.032 0.000 1.178 219 F CB -0.640 38.330 39.000 -0.050 0.000 0.972 219 F HN -0.107 nan 8.300 nan 0.000 0.476 220 T N -0.094 114.634 114.554 0.291 0.000 2.755 220 T HA -0.289 4.063 4.350 0.003 0.000 0.266 220 T C 1.978 176.776 174.700 0.163 0.000 1.041 220 T CA 1.834 64.046 62.100 0.188 0.000 1.147 220 T CB -0.624 68.315 68.868 0.117 0.000 0.847 220 T HN 0.406 nan 8.240 nan 0.000 0.478 221 S N 0.407 116.202 115.700 0.159 0.000 2.428 221 S HA 0.106 4.578 4.470 0.003 0.000 0.230 221 S C 0.759 175.486 174.600 0.212 0.000 1.014 221 S CA 0.260 58.551 58.200 0.151 0.000 0.957 221 S CB -0.431 62.844 63.200 0.124 0.000 0.784 221 S HN 0.448 nan 8.310 nan 0.000 0.499 222 L N 0.598 121.983 121.223 0.270 0.000 2.332 222 L HA 0.616 4.958 4.340 0.003 0.000 0.269 222 L C 1.050 178.046 176.870 0.209 0.000 1.016 222 L CA -0.809 54.216 54.840 0.308 0.000 0.809 222 L CB 0.701 42.994 42.059 0.391 0.000 1.280 222 L HN 0.191 nan 8.230 nan 0.000 0.447 223 G N 1.184 109.915 108.800 -0.115 0.000 2.894 223 G HA2 0.225 4.187 3.960 0.003 0.000 0.265 223 G HA3 0.225 4.187 3.960 0.003 0.000 0.265 223 G C -0.612 173.899 174.900 -0.649 0.000 0.735 223 G CA 0.168 45.072 45.100 -0.327 0.000 2.064 223 G HN 0.208 nan 8.290 nan 0.000 0.590 224 F N -1.010 118.898 119.950 -0.070 0.000 2.563 224 F HA 0.366 4.895 4.527 0.003 0.000 0.316 224 F C 0.599 176.389 175.800 -0.017 0.000 1.076 224 F CA -1.448 56.484 58.000 -0.113 0.000 0.921 224 F CB 2.306 41.104 39.000 -0.337 0.000 1.209 224 F HN 0.107 nan 8.300 nan 0.000 0.462 225 N N 0.845 119.647 118.700 0.170 0.000 2.203 225 N HA 0.014 4.756 4.740 0.003 0.000 0.207 225 N C 1.195 176.783 175.510 0.131 0.000 1.130 225 N CA 0.842 54.003 53.050 0.185 0.000 0.861 225 N CB 0.096 38.761 38.487 0.298 0.000 1.005 225 N HN 0.784 nan 8.380 nan 0.000 0.507 226 E N -2.304 117.929 120.200 0.055 0.000 5.142 226 E HA -0.384 3.968 4.350 0.003 0.000 0.169 226 E C 0.396 176.982 176.600 -0.023 0.000 1.322 226 E CA 2.266 58.667 56.400 0.001 0.000 2.174 226 E CB -1.749 28.066 29.700 0.192 0.000 1.883 226 E HN 0.096 nan 8.360 nan 0.000 0.358 227 V N -0.100 119.794 119.914 -0.032 0.000 2.273 227 V HA -0.041 4.082 4.120 0.003 0.000 0.242 227 V C 2.210 178.191 176.094 -0.189 0.000 1.035 227 V CA 2.316 64.480 62.300 -0.226 0.000 1.013 227 V CB -0.693 30.771 31.823 -0.599 0.000 0.652 227 V HN 0.369 nan 8.190 nan 0.000 0.452 228 F N 0.848 120.942 119.950 0.241 0.000 2.749 228 F HA 0.295 4.824 4.527 0.003 0.000 0.300 228 F C 0.802 176.820 175.800 0.363 0.000 1.103 228 F CA 0.467 58.606 58.000 0.231 0.000 1.342 228 F CB 0.259 39.320 39.000 0.101 0.000 1.098 228 F HN 0.228 nan 8.300 nan 0.000 0.586 229 S N 0.052 116.069 115.700 0.528 0.000 2.616 229 S HA 0.596 5.068 4.470 0.003 0.000 0.276 229 S C -0.951 173.709 174.600 0.100 0.000 1.159 229 S CA -0.921 57.567 58.200 0.480 0.000 1.000 229 S CB 1.439 64.806 63.200 0.279 0.000 1.117 229 S HN 0.161 nan 8.310 nan 0.000 0.464 230 R N 2.679 122.997 120.500 -0.303 0.000 2.534 230 R HA 0.476 4.818 4.340 0.003 0.000 0.301 230 R C -2.304 173.541 176.300 -0.759 0.000 0.961 230 R CA -2.427 53.019 56.100 -1.089 0.000 0.871 230 R CB 1.665 30.912 30.300 -1.754 0.000 1.170 230 R HN 0.304 nan 8.270 nan 0.000 0.446 231 P HA -0.311 nan 4.420 nan 0.000 0.218 231 P C 0.768 178.032 177.300 -0.060 0.000 1.154 231 P CA 1.515 64.191 63.100 -0.706 0.000 0.872 231 P CB 0.175 31.210 31.700 -1.107 0.000 0.790 232 E N -1.611 118.498 120.200 -0.152 0.000 2.273 232 E HA -0.230 4.122 4.350 0.003 0.000 0.198 232 E C 1.363 177.977 176.600 0.024 0.000 1.002 232 E CA 1.090 57.467 56.400 -0.039 0.000 0.828 232 E CB -1.031 28.563 29.700 -0.176 0.000 0.747 232 E HN 0.344 nan 8.360 nan 0.000 0.491 233 W N 0.835 122.091 121.300 -0.072 0.000 2.523 233 W HA 0.223 4.885 4.660 0.004 0.000 0.278 233 W C 2.179 178.592 176.519 -0.177 0.000 1.236 233 W CA 0.067 57.361 57.345 -0.085 0.000 1.306 233 W CB -0.599 28.827 29.460 -0.055 0.000 1.101 233 W HN 0.076 nan 8.180 nan 0.000 0.577 234 M N -0.006 119.549 119.600 -0.075 0.000 2.521 234 M HA -0.149 4.333 4.480 0.003 0.000 0.260 234 M C 0.440 176.589 176.300 -0.251 0.000 1.068 234 M CA 1.272 56.303 55.300 -0.448 0.000 1.060 234 M CB -0.674 31.707 32.600 -0.365 0.000 1.398 234 M HN -0.291 nan 8.290 nan 0.000 0.473 235 I N 0.870 121.356 120.570 -0.140 0.000 2.385 235 I HA 0.202 4.375 4.170 0.003 0.000 0.294 235 I C -0.287 175.847 176.117 0.028 0.000 0.988 235 I CA -0.605 60.612 61.300 -0.137 0.000 1.265 235 I CB 1.462 39.345 38.000 -0.195 0.000 1.388 235 I HN 0.022 nan 8.210 nan 0.000 0.480 236 L N 6.481 127.746 121.223 0.071 0.000 2.295 236 L HA 0.228 4.570 4.340 0.003 0.000 0.288 236 L C 0.843 177.763 176.870 0.084 0.000 1.079 236 L CA 0.026 54.923 54.840 0.095 0.000 0.830 236 L CB 0.716 42.835 42.059 0.101 0.000 1.200 236 L HN 0.746 nan 8.230 nan 0.000 0.438 237 T N 0.647 115.250 114.554 0.083 0.000 2.990 237 T HA -0.019 4.333 4.350 0.003 0.000 0.237 237 T C 0.370 175.108 174.700 0.063 0.000 1.009 237 T CA 0.312 62.457 62.100 0.075 0.000 1.195 237 T CB 0.279 69.202 68.868 0.090 0.000 0.885 237 T HN 0.562 nan 8.240 nan 0.000 0.424 238 C N 2.828 122.167 119.300 0.065 0.000 2.322 238 C HA 0.794 5.256 4.460 0.003 0.000 0.324 238 C C -0.525 174.496 174.990 0.051 0.000 1.284 238 C CA -1.359 57.701 59.018 0.069 0.000 1.606 238 C CB -0.627 27.174 27.740 0.101 0.000 2.251 238 C HN 0.490 nan 8.230 nan 0.000 0.502 239 L N 9.434 130.675 121.223 0.031 0.000 2.289 239 L HA 0.676 5.018 4.340 0.003 0.000 0.285 239 L C -2.183 174.725 176.870 0.063 0.000 1.049 239 L CA -1.505 53.357 54.840 0.037 0.000 0.804 239 L CB 1.485 43.528 42.059 -0.026 0.000 1.195 239 L HN 0.529 nan 8.230 nan 0.000 0.428 240 P HA 0.165 nan 4.420 nan 0.000 0.292 240 P C -1.210 176.226 177.300 0.226 0.000 1.287 240 P CA -0.311 62.907 63.100 0.197 0.000 0.800 240 P CB 1.573 33.416 31.700 0.239 0.000 0.945 241 V N 6.115 126.124 119.914 0.158 0.000 2.348 241 V HA 0.226 4.348 4.120 0.003 0.000 0.270 241 V C -1.744 174.221 176.094 -0.216 0.000 1.037 241 V CA -2.080 60.227 62.300 0.011 0.000 0.872 241 V CB 0.934 32.752 31.823 -0.008 0.000 1.002 241 V HN 0.552 nan 8.190 nan 0.000 0.464 242 P HA 0.165 nan 4.420 nan 0.000 0.267 242 P C -2.428 174.638 177.300 -0.391 0.000 1.205 242 P CA -1.006 61.735 63.100 -0.599 0.000 0.765 242 P CB 0.465 32.022 31.700 -0.239 0.000 0.828 243 P HA 0.047 nan 4.420 nan 0.000 0.274 243 P C -1.725 175.493 177.300 -0.138 0.000 1.264 243 P CA -1.079 61.895 63.100 -0.211 0.000 0.795 243 P CB -0.668 30.919 31.700 -0.188 0.000 1.064 244 P HA -0.093 nan 4.420 nan 0.000 0.215 244 P C -1.250 176.008 177.300 -0.069 0.000 1.157 244 P CA 2.600 65.663 63.100 -0.062 0.000 0.868 244 P CB -1.961 29.715 31.700 -0.039 0.000 0.788 245 P HA -0.180 nan 4.420 nan 0.000 0.214 245 P C 1.952 179.213 177.300 -0.065 0.000 1.172 245 P CA 1.371 64.431 63.100 -0.067 0.000 0.925 245 P CB -0.712 30.944 31.700 -0.074 0.000 0.793 246 V N -0.590 119.276 119.914 -0.079 0.000 2.370 246 V HA -0.234 3.888 4.120 0.003 0.000 0.252 246 V C 1.152 177.208 176.094 -0.063 0.000 1.068 246 V CA 2.109 64.367 62.300 -0.070 0.000 1.061 246 V CB -1.280 30.486 31.823 -0.094 0.000 0.656 246 V HN 0.312 nan 8.190 nan 0.000 0.455 247 R N 0.761 121.221 120.500 -0.067 0.000 2.415 247 R HA 0.428 4.770 4.340 0.003 0.000 0.292 247 R C -2.890 173.373 176.300 -0.063 0.000 1.295 247 R CA -1.684 54.378 56.100 -0.063 0.000 1.137 247 R CB 0.594 30.862 30.300 -0.054 0.000 1.135 247 R HN 0.198 nan 8.270 nan 0.000 0.560 248 P HA 0.084 nan 4.420 nan 0.000 0.276 248 P C -0.522 176.741 177.300 -0.062 0.000 1.244 248 P CA -0.285 62.782 63.100 -0.055 0.000 0.801 248 P CB 1.512 33.182 31.700 -0.049 0.000 1.006 260 D N 0.561 120.798 120.400 -0.271 0.000 2.406 260 D HA -0.068 4.574 4.640 0.003 0.000 0.234 260 D C 0.263 176.337 176.300 -0.377 0.000 1.196 260 D CA 0.554 54.396 54.000 -0.263 0.000 0.881 260 D CB 0.706 41.416 40.800 -0.149 0.000 1.205 260 D HN 0.376 nan 8.370 nan 0.000 0.453 261 D N 1.949 122.189 120.400 -0.267 0.000 2.219 261 D HA -0.104 4.538 4.640 0.003 0.000 0.205 261 D C 2.025 178.286 176.300 -0.065 0.000 0.970 261 D CA 0.460 54.343 54.000 -0.196 0.000 0.851 261 D CB 0.275 41.020 40.800 -0.091 0.000 0.943 261 D HN 0.417 nan 8.370 nan 0.000 0.488 262 L N 0.811 122.007 121.223 -0.045 0.000 2.017 262 L HA -0.166 4.176 4.340 0.003 0.000 0.208 262 L C 2.554 179.476 176.870 0.088 0.000 1.073 262 L CA 1.127 56.002 54.840 0.058 0.000 0.745 262 L CB -0.681 41.409 42.059 0.051 0.000 0.894 262 L HN 0.031 nan 8.230 nan 0.000 0.432 263 T N -0.189 114.375 114.554 0.017 0.000 2.652 263 T HA -0.235 4.117 4.350 0.003 0.000 0.267 263 T C 1.722 176.529 174.700 0.180 0.000 1.039 263 T CA 1.535 63.670 62.100 0.058 0.000 1.153 263 T CB -0.553 68.323 68.868 0.013 0.000 0.863 263 T HN 0.194 nan 8.240 nan 0.000 0.428 264 F N 1.423 121.363 119.950 -0.017 0.000 2.087 264 F HA -0.201 4.328 4.527 0.004 0.000 0.299 264 F C 2.472 178.228 175.800 -0.073 0.000 1.100 264 F CA 0.966 58.944 58.000 -0.036 0.000 1.226 264 F CB -0.202 38.778 39.000 -0.033 0.000 0.983 264 F HN 0.164 nan 8.300 nan 0.000 0.479 265 K N 0.112 120.596 120.400 0.141 0.000 2.432 265 K HA -0.026 4.296 4.320 0.003 0.000 0.196 265 K C 1.659 178.226 176.600 -0.054 0.000 1.038 265 K CA 0.335 56.611 56.287 -0.018 0.000 0.986 265 K CB 0.062 32.581 32.500 0.032 0.000 0.782 265 K HN 0.343 nan 8.250 nan 0.000 0.485 266 L N -0.168 121.051 121.223 -0.008 0.000 2.375 266 L HA 0.033 4.375 4.340 0.003 0.000 0.215 266 L C 2.222 179.063 176.870 -0.049 0.000 1.108 266 L CA 0.306 55.092 54.840 -0.090 0.000 0.830 266 L CB -0.119 41.908 42.059 -0.054 0.000 0.959 266 L HN 0.171 nan 8.230 nan 0.000 0.457 267 A N -0.548 122.273 122.820 0.002 0.000 1.898 267 A HA -0.159 4.163 4.320 0.003 0.000 0.214 267 A C 1.834 179.409 177.584 -0.016 0.000 1.183 267 A CA 1.200 53.240 52.037 0.004 0.000 0.622 267 A CB -0.269 18.746 19.000 0.026 0.000 0.824 267 A HN 0.280 nan 8.150 nan 0.000 0.444 268 D N -0.201 120.166 120.400 -0.054 0.000 2.264 268 D HA -0.055 4.587 4.640 0.003 0.000 0.208 268 D C 1.714 178.131 176.300 0.195 0.000 0.966 268 D CA 0.786 54.764 54.000 -0.038 0.000 0.864 268 D CB -0.022 40.473 40.800 -0.508 0.000 0.933 268 D HN 0.482 nan 8.370 nan 0.000 0.499 269 I N 0.099 120.698 120.570 0.048 0.000 2.584 269 I HA -0.177 3.995 4.170 0.003 0.000 0.255 269 I C 2.103 178.223 176.117 0.005 0.000 1.145 269 I CA 0.194 61.521 61.300 0.045 0.000 1.462 269 I CB 0.268 38.206 38.000 -0.103 0.000 1.102 269 I HN -0.041 nan 8.210 nan 0.000 0.433 270 L N 0.883 122.094 121.223 -0.021 0.000 2.072 270 L HA -0.142 4.200 4.340 0.003 0.000 0.205 270 L C 2.342 179.193 176.870 -0.032 0.000 1.079 270 L CA 1.844 56.660 54.840 -0.040 0.000 0.752 270 L CB -0.526 41.506 42.059 -0.045 0.000 0.906 270 L HN 0.030 nan 8.230 nan 0.000 0.436 271 K N -0.907 119.489 120.400 -0.007 0.000 2.057 271 K HA -0.110 4.212 4.320 0.003 0.000 0.207 271 K C 2.018 178.620 176.600 0.003 0.000 1.049 271 K CA 1.341 57.624 56.287 -0.007 0.000 0.931 271 K CB -0.344 32.166 32.500 0.016 0.000 0.714 271 K HN 0.376 nan 8.250 nan 0.000 0.440 272 A N 1.480 124.322 122.820 0.037 0.000 1.968 272 A HA -0.179 4.143 4.320 0.003 0.000 0.217 272 A C 1.874 179.451 177.584 -0.012 0.000 1.169 272 A CA 1.733 53.774 52.037 0.006 0.000 0.638 272 A CB -0.546 18.451 19.000 -0.005 0.000 0.812 272 A HN 0.352 nan 8.150 nan 0.000 0.446 273 N N -0.182 118.510 118.700 -0.013 0.000 2.216 273 N HA -0.028 4.714 4.740 0.003 0.000 0.183 273 N C 1.477 176.966 175.510 -0.034 0.000 1.017 273 N CA 1.391 54.425 53.050 -0.027 0.000 0.861 273 N CB -0.260 38.203 38.487 -0.040 0.000 0.986 273 N HN 0.493 nan 8.380 nan 0.000 0.428 274 I N 0.031 120.574 120.570 -0.046 0.000 2.141 274 I HA -0.225 3.947 4.170 0.003 0.000 0.236 274 I C 2.216 178.310 176.117 -0.039 0.000 1.071 274 I CA 1.246 62.511 61.300 -0.058 0.000 1.345 274 I CB -0.579 37.363 38.000 -0.097 0.000 1.066 274 I HN 0.272 nan 8.210 nan 0.000 0.406 275 S N 1.055 116.733 115.700 -0.036 0.000 2.462 275 S HA -0.198 4.274 4.470 0.003 0.000 0.243 275 S C 1.858 176.444 174.600 -0.023 0.000 1.003 275 S CA 1.058 59.241 58.200 -0.028 0.000 0.970 275 S CB -0.603 62.583 63.200 -0.024 0.000 0.762 275 S HN 0.370 nan 8.310 nan 0.000 0.510 276 L N 1.426 122.635 121.223 -0.023 0.000 2.127 276 L HA 0.254 4.596 4.340 0.003 0.000 0.203 276 L C 2.369 179.224 176.870 -0.024 0.000 1.080 276 L CA 1.579 56.403 54.840 -0.026 0.000 0.768 276 L CB -0.718 41.326 42.059 -0.025 0.000 0.924 276 L HN 0.241 nan 8.230 nan 0.000 0.444 277 E N -1.129 119.070 120.200 -0.001 0.000 2.150 277 E HA -0.172 4.181 4.350 0.003 0.000 0.193 277 E C 1.851 178.512 176.600 0.102 0.000 0.985 277 E CA 1.468 57.898 56.400 0.051 0.000 0.814 277 E CB -0.082 29.670 29.700 0.086 0.000 0.752 277 E HN 0.502 nan 8.360 nan 0.000 0.466 278 T N 1.723 116.306 114.554 0.048 0.000 2.569 278 T HA -0.157 4.195 4.350 0.003 0.000 0.263 278 T C 1.944 176.658 174.700 0.024 0.000 1.074 278 T CA 1.035 63.161 62.100 0.043 0.000 1.176 278 T CB -0.347 68.523 68.868 0.002 0.000 0.863 278 T HN 0.106 nan 8.240 nan 0.000 0.410 279 L N 0.842 122.056 121.223 -0.015 0.000 2.081 279 L HA -0.167 4.175 4.340 0.003 0.000 0.212 279 L C 2.544 179.371 176.870 -0.073 0.000 1.080 279 L CA 1.579 56.395 54.840 -0.039 0.000 0.754 279 L CB -0.741 41.292 42.059 -0.044 0.000 0.893 279 L HN 0.424 nan 8.230 nan 0.000 0.433 280 E N -1.411 118.720 120.200 -0.116 0.000 2.427 280 E HA -0.123 4.229 4.350 0.003 0.000 0.196 280 E C 1.780 178.195 176.600 -0.307 0.000 1.028 280 E CA 0.404 56.672 56.400 -0.220 0.000 0.864 280 E CB 0.132 29.662 29.700 -0.283 0.000 0.813 280 E HN 0.594 nan 8.360 nan 0.000 0.514 281 H N -0.484 118.563 119.070 -0.039 0.000 2.460 281 H HA 0.154 4.712 4.556 0.003 0.000 0.297 281 H C 1.568 176.874 175.328 -0.036 0.000 1.023 281 H CA 0.296 56.323 56.048 -0.034 0.000 1.321 281 H CB 0.470 30.215 29.762 -0.028 0.000 1.455 281 H HN 0.074 nan 8.280 nan 0.000 0.539 282 N N 0.563 119.311 118.700 0.080 0.000 2.227 282 N HA -0.002 4.740 4.740 0.003 0.000 0.203 282 N C 1.131 176.634 175.510 -0.011 0.000 1.037 282 N CA 0.695 53.761 53.050 0.028 0.000 1.005 282 N CB -0.454 38.044 38.487 0.018 0.000 1.214 282 N HN 0.128 nan 8.380 nan 0.000 0.527 283 G N -0.201 108.583 108.800 -0.026 0.000 2.415 283 G HA2 0.575 4.537 3.960 0.003 0.000 0.317 283 G HA3 0.575 4.537 3.960 0.003 0.000 0.317 283 G C -0.953 173.900 174.900 -0.078 0.000 1.152 283 G CA -0.325 44.745 45.100 -0.049 0.000 0.956 283 G HN 0.456 nan 8.290 nan 0.000 0.458 284 A N 5.015 127.761 122.820 -0.123 0.000 2.366 284 A HA 0.639 4.961 4.320 0.003 0.000 0.322 284 A C -1.090 176.350 177.584 -0.240 0.000 1.397 284 A CA -1.416 50.515 52.037 -0.177 0.000 0.984 284 A CB 0.744 19.611 19.000 -0.221 0.000 1.149 284 A HN 0.528 nan 8.150 nan 0.000 0.540 285 P HA 0.030 nan 4.420 nan 0.000 0.253 285 P C 0.515 177.798 177.300 -0.028 0.000 1.508 285 P CA 0.113 63.161 63.100 -0.087 0.000 0.883 285 P CB -0.210 31.474 31.700 -0.026 0.000 1.519 286 H N 0.494 119.499 119.070 -0.110 0.000 1.452 286 H HA -0.210 4.348 4.556 0.003 0.000 0.090 286 H C 0.650 175.847 175.328 -0.220 0.000 0.620 286 H CA 1.654 57.567 56.048 -0.225 0.000 1.901 286 H CB -1.919 27.685 29.762 -0.264 0.000 2.257 286 H HN 0.399 nan 8.280 nan 0.000 0.961 287 H N 1.456 120.621 119.070 0.157 0.000 2.842 287 H HA 0.477 5.035 4.556 0.003 0.000 0.312 287 H C 0.943 176.292 175.328 0.035 0.000 1.137 287 H CA 0.863 56.948 56.048 0.062 0.000 1.176 287 H CB -0.264 29.518 29.762 0.033 0.000 1.361 287 H HN 0.490 nan 8.280 nan 0.000 0.557 288 A N -0.087 122.795 122.820 0.102 0.000 2.551 288 A HA 0.235 4.557 4.320 0.003 0.000 0.252 288 A C 1.655 179.254 177.584 0.024 0.000 1.199 288 A CA -0.216 51.855 52.037 0.057 0.000 0.972 288 A CB 0.261 19.286 19.000 0.041 0.000 1.153 288 A HN 0.268 nan 8.150 nan 0.000 0.559 289 I N 0.275 120.858 120.570 0.021 0.000 3.081 289 I HA -0.084 4.088 4.170 0.003 0.000 0.274 289 I C 2.075 178.195 176.117 0.005 0.000 1.178 289 I CA 0.959 62.257 61.300 -0.003 0.000 1.460 289 I CB -0.072 37.913 38.000 -0.026 0.000 1.137 289 I HN 0.509 nan 8.210 nan 0.000 0.443 290 E N 1.702 121.919 120.200 0.030 0.000 2.501 290 E HA -0.211 4.141 4.350 0.003 0.000 0.203 290 E C 0.905 177.505 176.600 0.000 0.000 1.072 290 E CA 0.851 57.265 56.400 0.023 0.000 0.885 290 E CB -0.375 29.357 29.700 0.053 0.000 0.813 290 E HN 0.580 nan 8.360 nan 0.000 0.556 291 E N 0.100 120.298 120.200 -0.003 0.000 2.465 291 E HA 0.159 4.511 4.350 0.003 0.000 0.191 291 E C 1.044 177.627 176.600 -0.029 0.000 1.053 291 E CA 0.345 56.733 56.400 -0.019 0.000 0.869 291 E CB 0.651 30.343 29.700 -0.014 0.000 0.977 291 E HN 0.420 nan 8.360 nan 0.000 0.483 292 A N 0.173 122.977 122.820 -0.026 0.000 2.498 292 A HA 0.138 4.461 4.320 0.003 0.000 0.238 292 A C 1.512 179.077 177.584 -0.032 0.000 1.225 292 A CA -0.205 51.812 52.037 -0.034 0.000 0.978 292 A CB 0.423 19.406 19.000 -0.029 0.000 1.142 292 A HN 0.008 nan 8.150 nan 0.000 0.552 293 E N 0.601 120.788 120.200 -0.022 0.000 2.086 293 E HA -0.093 4.259 4.350 0.003 0.000 0.190 293 E C 2.073 178.667 176.600 -0.010 0.000 0.975 293 E CA 1.199 57.591 56.400 -0.013 0.000 0.813 293 E CB -0.028 29.667 29.700 -0.009 0.000 0.768 293 E HN 0.657 nan 8.360 nan 0.000 0.457 294 S N 0.795 116.483 115.700 -0.019 0.000 2.474 294 S HA -0.110 4.362 4.470 0.003 0.000 0.235 294 S C 1.907 176.515 174.600 0.013 0.000 0.997 294 S CA 0.473 58.666 58.200 -0.012 0.000 0.949 294 S CB -0.056 63.120 63.200 -0.041 0.000 0.766 294 S HN 0.084 nan 8.310 nan 0.000 0.517 295 L N 0.622 121.828 121.223 -0.028 0.000 2.068 295 L HA 0.289 4.631 4.340 0.003 0.000 0.204 295 L C 2.201 179.011 176.870 -0.099 0.000 1.076 295 L CA 1.167 55.959 54.840 -0.080 0.000 0.753 295 L CB -0.789 41.184 42.059 -0.143 0.000 0.910 295 L HN 0.353 nan 8.230 nan 0.000 0.439 296 L N -0.211 120.980 121.223 -0.054 0.000 2.012 296 L HA -0.252 4.090 4.340 0.003 0.000 0.210 296 L C 2.571 179.471 176.870 0.051 0.000 1.073 296 L CA 2.278 57.112 54.840 -0.009 0.000 0.748 296 L CB -0.913 41.147 42.059 0.002 0.000 0.891 296 L HN 0.538 nan 8.230 nan 0.000 0.431 297 Q N -1.269 118.572 119.800 0.068 0.000 2.197 297 Q HA -0.291 4.051 4.340 0.003 0.000 0.207 297 Q C 1.998 178.109 176.000 0.184 0.000 0.984 297 Q CA 2.323 58.195 55.803 0.115 0.000 0.869 297 Q CB -0.622 28.164 28.738 0.079 0.000 0.906 297 Q HN 0.566 nan 8.270 nan 0.000 0.426 298 F N -0.472 119.482 119.950 0.007 0.000 2.187 298 F HA 0.015 4.545 4.527 0.004 0.000 0.295 298 F C 1.756 177.656 175.800 0.166 0.000 1.091 298 F CA 1.794 59.824 58.000 0.050 0.000 1.308 298 F CB -0.358 38.635 39.000 -0.011 0.000 1.030 298 F HN 0.237 nan 8.300 nan 0.000 0.487 299 H N -1.413 117.617 119.070 -0.067 0.000 2.363 299 H HA -0.079 4.479 4.556 0.004 0.000 0.301 299 H C 2.323 177.601 175.328 -0.084 0.000 1.074 299 H CA 1.194 57.139 56.048 -0.171 0.000 1.354 299 H CB -0.038 29.689 29.762 -0.059 0.000 1.397 299 H HN 0.111 nan 8.280 nan 0.000 0.516 300 V N 1.102 121.078 119.914 0.104 0.000 2.287 300 V HA -0.293 3.829 4.120 0.003 0.000 0.248 300 V C 2.666 178.847 176.094 0.145 0.000 1.053 300 V CA 1.756 64.103 62.300 0.078 0.000 1.027 300 V CB -0.825 31.035 31.823 0.062 0.000 0.646 300 V HN 0.515 nan 8.190 nan 0.000 0.447 301 A N -0.953 121.935 122.820 0.113 0.000 1.855 301 A HA -0.238 4.084 4.320 0.003 0.000 0.215 301 A C 2.431 180.051 177.584 0.060 0.000 1.191 301 A CA 2.455 54.560 52.037 0.113 0.000 0.613 301 A CB -1.149 17.942 19.000 0.151 0.000 0.829 301 A HN 0.430 nan 8.150 nan 0.000 0.442 302 T N -1.601 112.915 114.554 -0.063 0.000 2.737 302 T HA -0.220 4.132 4.350 0.003 0.000 0.269 302 T C 1.636 176.321 174.700 -0.025 0.000 1.040 302 T CA 1.806 63.812 62.100 -0.157 0.000 1.142 302 T CB -0.465 68.073 68.868 -0.551 0.000 0.861 302 T HN 0.603 nan 8.240 nan 0.000 0.456 303 Y N 0.660 120.899 120.300 -0.103 0.000 2.556 303 Y HA 0.002 4.554 4.550 0.003 0.000 0.290 303 Y C 1.619 177.509 175.900 -0.018 0.000 1.149 303 Y CA 1.155 59.219 58.100 -0.060 0.000 1.329 303 Y CB -0.293 38.141 38.460 -0.043 0.000 0.975 303 Y HN 0.273 nan 8.280 nan 0.000 0.561 304 M N -0.753 118.806 119.600 -0.068 0.000 2.300 304 M HA 0.201 4.683 4.480 0.003 0.000 0.313 304 M C -0.792 175.506 176.300 -0.004 0.000 0.988 304 M CA 0.128 55.366 55.300 -0.103 0.000 1.012 304 M CB 0.971 33.566 32.600 -0.009 0.000 1.586 304 M HN -0.020 nan 8.290 nan 0.000 0.562 305 D N -0.355 120.046 120.400 0.001 0.000 2.787 305 D HA 0.211 4.853 4.640 0.003 0.000 0.215 305 D C -0.916 175.394 176.300 0.017 0.000 1.246 305 D CA -0.046 53.969 54.000 0.024 0.000 0.798 305 D CB 1.227 42.059 40.800 0.055 0.000 1.649 305 D HN -0.032 nan 8.370 nan 0.000 0.507 306 N N 1.093 119.806 118.700 0.022 0.000 2.460 306 N HA 0.012 4.754 4.740 0.003 0.000 0.193 306 N C 0.067 175.610 175.510 0.054 0.000 1.080 306 N CA 0.124 53.193 53.050 0.032 0.000 0.869 306 N CB 0.706 39.206 38.487 0.022 0.000 1.201 306 N HN 0.389 nan 8.380 nan 0.000 0.457 307 D N 1.650 122.077 120.400 0.045 0.000 2.346 307 D HA 0.130 4.772 4.640 0.003 0.000 0.248 307 D C 0.453 176.786 176.300 0.055 0.000 1.173 307 D CA 0.138 54.165 54.000 0.046 0.000 0.878 307 D CB 0.365 41.184 40.800 0.032 0.000 0.919 307 D HN 0.314 nan 8.370 nan 0.000 0.513 308 I N 1.052 121.666 120.570 0.074 0.000 2.519 308 I HA 0.114 4.286 4.170 0.003 0.000 0.287 308 I C 0.899 177.068 176.117 0.087 0.000 1.047 308 I CA -0.784 60.566 61.300 0.083 0.000 1.381 308 I CB 0.996 39.061 38.000 0.108 0.000 1.417 308 I HN -0.091 nan 8.210 nan 0.000 0.540 309 A N 4.899 127.761 122.820 0.071 0.000 2.505 309 A HA 0.498 4.820 4.320 0.003 0.000 0.271 309 A C 0.818 178.443 177.584 0.068 0.000 1.112 309 A CA 0.880 52.953 52.037 0.060 0.000 0.781 309 A CB -0.657 18.371 19.000 0.047 0.000 1.059 309 A HN 1.113 nan 8.150 nan 0.000 0.508 310 G N 2.003 110.842 108.800 0.065 0.000 1.924 310 G HA2 0.118 4.080 3.960 0.003 0.000 0.077 310 G HA3 0.118 4.080 3.960 0.003 0.000 0.077 310 G C -0.315 174.617 174.900 0.054 0.000 1.448 310 G CA -0.074 45.056 45.100 0.051 0.000 1.087 310 G HN 0.790 nan 8.290 nan 0.000 0.304 311 Q N 0.807 120.676 119.800 0.115 0.000 2.421 311 Q HA 0.601 4.943 4.340 0.003 0.000 0.280 311 Q C -2.557 173.615 176.000 0.287 0.000 1.085 311 Q CA -1.684 54.203 55.803 0.140 0.000 0.807 311 Q CB 3.458 32.193 28.738 -0.005 0.000 1.405 311 Q HN 0.460 nan 8.270 nan 0.000 0.419 312 P HA 0.240 nan 4.420 nan 0.000 0.310 312 P C -1.300 176.151 177.300 0.252 0.000 1.309 312 P CA -0.537 62.681 63.100 0.197 0.000 0.769 312 P CB 1.060 32.832 31.700 0.119 0.000 1.327 313 Q N -0.910 118.974 119.800 0.140 0.000 2.342 313 Q HA 0.739 5.081 4.340 0.003 0.000 0.267 313 Q C -0.807 175.248 176.000 0.092 0.000 1.038 313 Q CA -0.767 55.101 55.803 0.109 0.000 0.832 313 Q CB 2.315 31.060 28.738 0.011 0.000 1.323 313 Q HN 0.603 nan 8.270 nan 0.000 0.448 322 V N -1.206 118.726 119.914 0.030 0.000 2.731 322 V HA 0.443 4.565 4.120 0.003 0.000 0.275 322 V C -2.146 173.952 176.094 0.006 0.000 1.859 322 V CA -0.694 61.621 62.300 0.025 0.000 0.858 322 V CB 1.676 33.517 31.823 0.029 0.000 1.365 322 V HN 0.891 nan 8.190 nan 0.000 0.394 323 K N 2.311 122.709 120.400 -0.003 0.000 2.589 323 K HA 0.450 4.772 4.320 0.003 0.000 0.298 323 K C -0.297 176.282 176.600 -0.035 0.000 1.136 323 K CA 0.323 56.597 56.287 -0.021 0.000 1.020 323 K CB 1.708 34.190 32.500 -0.031 0.000 1.345 323 K HN 0.983 nan 8.250 nan 0.000 0.478 324 S N 2.028 117.702 115.700 -0.044 0.000 2.301 324 S HA 0.462 4.934 4.470 0.003 0.000 0.245 324 S C 1.156 175.688 174.600 -0.112 0.000 1.191 324 S CA -0.597 57.556 58.200 -0.079 0.000 1.032 324 S CB 0.297 63.463 63.200 -0.057 0.000 1.104 324 S HN 0.487 nan 8.310 nan 0.000 0.453 325 I N 0.021 120.513 120.570 -0.131 0.000 3.445 325 I HA 0.183 4.355 4.170 0.003 0.000 0.288 325 I C 2.961 179.046 176.117 -0.053 0.000 1.198 325 I CA -0.141 61.087 61.300 -0.120 0.000 1.417 325 I CB -0.237 37.662 38.000 -0.168 0.000 1.205 325 I HN 0.494 nan 8.210 nan 0.000 0.448 326 R N 1.456 121.945 120.500 -0.017 0.000 2.115 326 R HA -0.238 4.104 4.340 0.003 0.000 0.239 326 R C 2.348 178.637 176.300 -0.017 0.000 1.133 326 R CA 2.120 58.225 56.100 0.007 0.000 0.935 326 R CB -0.547 29.775 30.300 0.036 0.000 0.853 326 R HN 0.351 nan 8.270 nan 0.000 0.433 327 A N 1.118 123.926 122.820 -0.020 0.000 2.009 327 A HA -0.253 4.069 4.320 0.003 0.000 0.222 327 A C 2.159 179.725 177.584 -0.030 0.000 1.175 327 A CA 1.779 53.802 52.037 -0.023 0.000 0.651 327 A CB -0.509 18.477 19.000 -0.023 0.000 0.815 327 A HN 0.361 nan 8.150 nan 0.000 0.459 328 R N -0.877 119.600 120.500 -0.038 0.000 2.062 328 R HA 0.044 4.386 4.340 0.003 0.000 0.229 328 R C 1.919 178.198 176.300 -0.037 0.000 1.128 328 R CA 1.477 57.554 56.100 -0.039 0.000 0.960 328 R CB -0.392 29.880 30.300 -0.046 0.000 0.855 328 R HN 0.562 nan 8.270 nan 0.000 0.432 329 L N 0.567 121.765 121.223 -0.041 0.000 2.418 329 L HA 0.070 4.412 4.340 0.003 0.000 0.218 329 L C 0.849 177.692 176.870 -0.045 0.000 1.125 329 L CA 0.263 55.075 54.840 -0.046 0.000 0.835 329 L CB -0.291 41.729 42.059 -0.064 0.000 0.953 329 L HN 0.016 nan 8.230 nan 0.000 0.454 330 K N 1.655 122.032 120.400 -0.039 0.000 2.527 330 K HA 0.066 4.388 4.320 0.003 0.000 0.278 330 K C 0.723 177.299 176.600 -0.041 0.000 0.981 330 K CA 0.041 56.305 56.287 -0.039 0.000 1.009 330 K CB 0.493 32.975 32.500 -0.030 0.000 0.895 330 K HN 0.141 nan 8.250 nan 0.000 0.493 331 G N 2.831 111.601 108.800 -0.050 0.000 2.257 331 G HA2 -0.076 3.886 3.960 0.003 0.000 0.235 331 G HA3 -0.076 3.886 3.960 0.003 0.000 0.235 331 G C -0.423 174.451 174.900 -0.043 0.000 1.225 331 G CA 0.034 45.101 45.100 -0.054 0.000 0.878 331 G HN 0.705 nan 8.290 nan 0.000 0.505 332 K N 0.968 121.347 120.400 -0.035 0.000 7.487 332 K HA -0.222 4.100 4.320 0.003 0.000 0.616 332 K C 0.898 177.484 176.600 -0.023 0.000 2.591 332 K CA 1.252 57.524 56.287 -0.025 0.000 1.991 332 K CB -0.220 32.265 32.500 -0.025 0.000 2.106 332 K HN 0.907 nan 8.250 nan 0.000 0.261 333 E N -1.845 118.345 120.200 -0.018 0.000 3.426 333 E HA -0.236 4.116 4.350 0.003 0.000 0.291 333 E C 0.336 176.924 176.600 -0.020 0.000 0.898 333 E CA 2.047 58.437 56.400 -0.017 0.000 0.970 333 E CB -1.597 28.093 29.700 -0.017 0.000 1.489 333 E HN 0.835 nan 8.360 nan 0.000 0.461 334 G N -0.575 108.211 108.800 -0.022 0.000 2.719 334 G HA2 0.472 4.434 3.960 0.003 0.000 0.298 334 G HA3 0.472 4.434 3.960 0.003 0.000 0.298 334 G C 0.593 175.478 174.900 -0.025 0.000 1.433 334 G CA -0.245 44.840 45.100 -0.025 0.000 1.034 334 G HN -0.085 nan 8.290 nan 0.000 0.517 335 R N 0.809 121.294 120.500 -0.024 0.000 3.508 335 R HA -0.338 4.004 4.340 0.003 0.000 0.571 335 R C 2.199 178.487 176.300 -0.019 0.000 0.242 335 R CA 1.934 58.020 56.100 -0.022 0.000 1.588 335 R CB -1.600 28.685 30.300 -0.026 0.000 0.785 335 R HN 0.648 nan 8.270 nan 0.000 0.576 336 I N 1.078 121.635 120.570 -0.021 0.000 2.130 336 I HA -0.403 3.769 4.170 0.003 0.000 0.241 336 I C 2.847 178.957 176.117 -0.012 0.000 1.023 336 I CA 2.312 63.602 61.300 -0.017 0.000 1.293 336 I CB -0.338 37.649 38.000 -0.022 0.000 1.001 336 I HN 0.335 nan 8.210 nan 0.000 0.407 337 R N -0.009 120.482 120.500 -0.015 0.000 2.066 337 R HA -0.070 4.272 4.340 0.003 0.000 0.232 337 R C 2.039 178.333 176.300 -0.010 0.000 1.131 337 R CA 1.548 57.641 56.100 -0.011 0.000 0.955 337 R CB -0.475 29.814 30.300 -0.018 0.000 0.851 337 R HN 0.493 nan 8.270 nan 0.000 0.432 338 G N -0.807 107.985 108.800 -0.012 0.000 3.126 338 G HA2 -0.005 3.957 3.960 0.003 0.000 0.224 338 G HA3 -0.005 3.957 3.960 0.003 0.000 0.224 338 G C 0.701 175.596 174.900 -0.009 0.000 1.142 338 G CA -0.194 44.900 45.100 -0.010 0.000 0.759 338 G HN 0.197 nan 8.290 nan 0.000 0.550 339 N N -0.566 118.127 118.700 -0.011 0.000 2.324 339 N HA 0.178 4.920 4.740 0.003 0.000 0.235 339 N C 1.729 177.233 175.510 -0.010 0.000 1.162 339 N CA -0.066 52.977 53.050 -0.011 0.000 0.834 339 N CB 0.580 39.059 38.487 -0.014 0.000 1.354 339 N HN 0.178 nan 8.380 nan 0.000 0.471 340 L N 0.375 121.592 121.223 -0.010 0.000 2.269 340 L HA 0.280 4.622 4.340 0.003 0.000 0.200 340 L C 1.891 178.756 176.870 -0.008 0.000 1.069 340 L CA 0.625 55.460 54.840 -0.009 0.000 0.804 340 L CB 0.044 42.099 42.059 -0.008 0.000 0.987 340 L HN -0.020 nan 8.230 nan 0.000 0.468 341 M N -1.170 118.426 119.600 -0.007 0.000 2.465 341 M HA 0.202 4.684 4.480 0.003 0.000 0.249 341 M C 0.460 176.754 176.300 -0.009 0.000 1.130 341 M CA 0.134 55.430 55.300 -0.007 0.000 1.067 341 M CB 0.595 33.194 32.600 -0.002 0.000 1.394 341 M HN 0.173 nan 8.290 nan 0.000 0.483 342 G N 1.546 110.341 108.800 -0.007 0.000 2.883 342 G HA2 0.519 4.481 3.960 0.003 0.000 0.285 342 G HA3 0.519 4.481 3.960 0.003 0.000 0.285 342 G C -0.978 173.920 174.900 -0.003 0.000 1.526 342 G CA -0.562 44.535 45.100 -0.006 0.000 1.062 342 G HN 0.096 nan 8.290 nan 0.000 0.550 343 K N 1.307 121.706 120.400 -0.001 0.000 2.306 343 K HA 0.583 4.905 4.320 0.003 0.000 0.236 343 K C -0.228 176.382 176.600 0.016 0.000 1.013 343 K CA -1.103 55.186 56.287 0.003 0.000 0.857 343 K CB 2.160 34.660 32.500 0.001 0.000 1.214 343 K HN 0.232 nan 8.250 nan 0.000 0.449 344 R N 1.755 122.265 120.500 0.016 0.000 2.196 344 R HA 0.191 4.533 4.340 0.003 0.000 0.340 344 R C -0.137 176.181 176.300 0.030 0.000 1.043 344 R CA -0.409 55.708 56.100 0.028 0.000 0.883 344 R CB 0.612 30.920 30.300 0.014 0.000 1.078 344 R HN 0.475 nan 8.270 nan 0.000 0.462 345 V N -0.654 119.297 119.914 0.063 0.000 2.834 345 V HA 0.426 4.548 4.120 0.003 0.000 0.313 345 V C 0.247 176.373 176.094 0.053 0.000 1.060 345 V CA -1.062 61.279 62.300 0.069 0.000 0.989 345 V CB 1.738 33.629 31.823 0.113 0.000 1.041 345 V HN 0.452 nan 8.190 nan 0.000 0.459 346 D N 0.930 121.326 120.400 -0.007 0.000 2.411 346 D HA 0.427 5.069 4.640 0.003 0.000 0.251 346 D C 0.093 176.372 176.300 -0.035 0.000 1.201 346 D CA 0.028 53.908 54.000 -0.200 0.000 0.996 346 D CB 0.300 40.777 40.800 -0.539 0.000 1.101 346 D HN 0.732 nan 8.370 nan 0.000 0.504 347 F N -0.956 119.047 119.950 0.087 0.000 2.983 347 F HA -0.246 4.282 4.527 0.003 0.000 0.288 347 F C 0.351 176.221 175.800 0.117 0.000 0.980 347 F CA 0.020 58.082 58.000 0.104 0.000 0.965 347 F CB -1.982 37.082 39.000 0.106 0.000 0.967 347 F HN 0.148 nan 8.300 nan 0.000 0.800 348 S N -0.460 115.349 115.700 0.182 0.000 2.599 348 S HA 1.004 5.476 4.470 0.003 0.000 0.287 348 S C -0.446 174.193 174.600 0.065 0.000 1.105 348 S CA -0.253 57.990 58.200 0.071 0.000 0.899 348 S CB 2.816 66.048 63.200 0.052 0.000 1.100 348 S HN 1.300 nan 8.310 nan 0.000 0.482 349 A N 1.057 123.907 122.820 0.050 0.000 2.594 349 A HA 0.905 5.227 4.320 0.003 0.000 0.295 349 A C -0.855 176.873 177.584 0.240 0.000 1.071 349 A CA -0.881 51.253 52.037 0.161 0.000 0.685 349 A CB 1.729 20.893 19.000 0.273 0.000 1.285 349 A HN 1.039 nan 8.150 nan 0.000 0.405 350 R N 0.470 121.104 120.500 0.224 0.000 2.566 350 R HA 0.729 5.072 4.340 0.003 0.000 0.271 350 R C -1.229 175.139 176.300 0.113 0.000 1.071 350 R CA 0.177 56.437 56.100 0.266 0.000 0.915 350 R CB 2.032 32.406 30.300 0.124 0.000 1.228 350 R HN 1.054 nan 8.270 nan 0.000 0.449 351 T N -0.360 114.272 114.554 0.130 0.000 2.648 351 T HA 0.297 4.650 4.350 0.003 0.000 0.304 351 T C -0.721 174.017 174.700 0.063 0.000 1.312 351 T CA -0.674 61.399 62.100 -0.045 0.000 1.023 351 T CB 0.760 69.432 68.868 -0.327 0.000 1.612 351 T HN 0.218 nan 8.240 nan 0.000 0.487 352 V N 1.549 121.471 119.914 0.013 0.000 2.953 352 V HA 0.573 4.695 4.120 0.003 0.000 0.304 352 V C 0.213 176.390 176.094 0.137 0.000 1.073 352 V CA -0.490 61.854 62.300 0.073 0.000 1.064 352 V CB 0.683 32.529 31.823 0.037 0.000 1.047 352 V HN 0.807 nan 8.190 nan 0.000 0.478 353 I N 0.842 121.542 120.570 0.217 0.000 2.797 353 I HA 0.961 5.133 4.170 0.003 0.000 0.307 353 I C -0.229 176.079 176.117 0.319 0.000 1.033 353 I CA -0.414 61.072 61.300 0.310 0.000 1.071 353 I CB 2.412 40.663 38.000 0.420 0.000 1.255 353 I HN 0.646 nan 8.210 nan 0.000 0.445 354 S N 1.748 117.497 115.700 0.081 0.000 2.550 354 S HA 0.751 5.223 4.470 0.003 0.000 0.270 354 S C -0.330 173.636 174.600 -1.057 0.000 1.145 354 S CA -0.610 57.239 58.200 -0.585 0.000 0.852 354 S CB 1.005 64.006 63.200 -0.332 0.000 1.119 354 S HN 1.189 nan 8.310 nan 0.000 0.465 355 G N 0.319 107.861 108.800 -2.098 0.000 2.467 355 G HA2 0.480 4.442 3.960 0.003 0.000 0.257 355 G HA3 0.480 4.442 3.960 0.003 0.000 0.257 355 G C -1.047 173.612 174.900 -0.402 0.000 1.227 355 G CA -0.144 44.394 45.100 -0.937 0.000 0.835 355 G HN 0.737 nan 8.290 nan 0.000 0.556 356 D N 1.857 122.151 120.400 -0.176 0.000 2.476 356 D HA 0.249 4.891 4.640 0.003 0.000 0.251 356 D C -1.702 174.566 176.300 -0.053 0.000 1.291 356 D CA -1.630 52.302 54.000 -0.113 0.000 0.939 356 D CB 2.451 43.200 40.800 -0.086 0.000 1.221 356 D HN 0.130 nan 8.370 nan 0.000 0.567 357 P HA 0.012 nan 4.420 nan 0.000 0.234 357 P C 0.086 177.373 177.300 -0.022 0.000 1.167 357 P CA 0.302 63.383 63.100 -0.033 0.000 0.763 357 P CB 0.450 32.117 31.700 -0.055 0.000 0.835 358 N N -0.028 118.669 118.700 -0.005 0.000 2.467 358 N HA 0.242 4.984 4.740 0.003 0.000 0.278 358 N C -0.216 175.315 175.510 0.035 0.000 1.306 358 N CA -0.049 53.020 53.050 0.032 0.000 0.905 358 N CB 0.867 39.397 38.487 0.073 0.000 1.236 358 N HN 0.248 nan 8.380 nan 0.000 0.509 359 L N 0.530 121.765 121.223 0.021 0.000 2.381 359 L HA 0.345 4.687 4.340 0.003 0.000 0.268 359 L C -0.029 176.860 176.870 0.031 0.000 0.997 359 L CA -0.765 54.085 54.840 0.016 0.000 0.818 359 L CB 2.270 44.324 42.059 -0.009 0.000 1.310 359 L HN -0.115 nan 8.230 nan 0.000 0.416 360 E N 1.971 122.193 120.200 0.037 0.000 2.383 360 E HA 0.007 4.359 4.350 0.003 0.000 0.264 360 E C 0.698 177.330 176.600 0.054 0.000 1.050 360 E CA -0.223 56.210 56.400 0.055 0.000 0.896 360 E CB 1.212 30.946 29.700 0.057 0.000 0.982 360 E HN 0.468 nan 8.360 nan 0.000 0.424 361 L N 3.393 124.650 121.223 0.058 0.000 2.011 361 L HA -0.278 4.064 4.340 0.003 0.000 0.225 361 L C 1.449 178.371 176.870 0.086 0.000 1.084 361 L CA 2.617 57.468 54.840 0.017 0.000 0.791 361 L CB -0.565 41.443 42.059 -0.085 0.000 0.898 361 L HN 0.621 nan 8.230 nan 0.000 0.440 362 D N -1.427 119.033 120.400 0.100 0.000 2.363 362 D HA -0.076 4.566 4.640 0.003 0.000 0.226 362 D C 0.814 177.270 176.300 0.260 0.000 1.020 362 D CA 0.165 54.278 54.000 0.187 0.000 0.892 362 D CB -0.182 40.665 40.800 0.078 0.000 0.900 362 D HN 0.631 nan 8.370 nan 0.000 0.531 363 Q N -0.511 119.367 119.800 0.130 0.000 2.173 363 Q HA 0.576 4.918 4.340 0.003 0.000 0.186 363 Q C -0.853 175.060 176.000 -0.146 0.000 1.018 363 Q CA -0.988 54.838 55.803 0.039 0.000 1.064 363 Q CB 2.301 31.038 28.738 -0.001 0.000 1.130 363 Q HN 0.028 nan 8.270 nan 0.000 0.553 364 V N -0.708 119.074 119.914 -0.218 0.000 2.882 364 V HA 0.517 4.639 4.120 0.003 0.000 0.295 364 V C -1.321 174.626 176.094 -0.244 0.000 1.273 364 V CA -0.445 61.591 62.300 -0.439 0.000 0.949 364 V CB 1.893 33.232 31.823 -0.808 0.000 1.071 364 V HN 0.779 nan 8.190 nan 0.000 0.432 365 G N 5.178 113.874 108.800 -0.173 0.000 2.356 365 G HA2 0.527 4.489 3.960 0.003 0.000 0.300 365 G HA3 0.527 4.489 3.960 0.003 0.000 0.300 365 G C -0.651 174.272 174.900 0.039 0.000 1.107 365 G CA -0.232 44.833 45.100 -0.058 0.000 0.960 365 G HN 0.931 nan 8.290 nan 0.000 0.418 366 V N 6.206 126.137 119.914 0.029 0.000 2.350 366 V HA 0.266 4.388 4.120 0.003 0.000 0.276 366 V C -1.783 174.282 176.094 -0.048 0.000 1.028 366 V CA -1.823 60.534 62.300 0.094 0.000 0.860 366 V CB 1.719 33.614 31.823 0.120 0.000 0.990 366 V HN 0.625 nan 8.190 nan 0.000 0.453 367 P HA 0.005 nan 4.420 nan 0.000 0.262 367 P C 0.803 178.007 177.300 -0.161 0.000 1.199 367 P CA 0.193 63.204 63.100 -0.148 0.000 0.763 367 P CB 0.767 32.351 31.700 -0.193 0.000 0.790 368 K N 3.845 124.128 120.400 -0.196 0.000 2.097 368 K HA -0.333 3.989 4.320 0.003 0.000 0.223 368 K C 2.035 178.522 176.600 -0.188 0.000 1.049 368 K CA 3.035 59.169 56.287 -0.255 0.000 0.956 368 K CB -0.625 31.735 32.500 -0.235 0.000 0.746 368 K HN 0.556 nan 8.250 nan 0.000 0.461 369 S N 0.591 116.204 115.700 -0.145 0.000 2.359 369 S HA -0.225 4.247 4.470 0.003 0.000 0.223 369 S C 2.067 176.618 174.600 -0.082 0.000 1.039 369 S CA 1.851 59.986 58.200 -0.108 0.000 1.042 369 S CB -0.833 62.311 63.200 -0.092 0.000 0.915 369 S HN 0.429 nan 8.310 nan 0.000 0.439 370 I N 2.521 123.041 120.570 -0.083 0.000 2.208 370 I HA -0.217 3.955 4.170 0.003 0.000 0.245 370 I C 3.097 179.228 176.117 0.024 0.000 1.097 370 I CA 1.312 62.596 61.300 -0.027 0.000 1.363 370 I CB -0.803 37.171 38.000 -0.043 0.000 1.051 370 I HN 0.486 nan 8.210 nan 0.000 0.413 371 A N 0.472 123.285 122.820 -0.013 0.000 1.972 371 A HA -0.209 4.113 4.320 0.003 0.000 0.219 371 A C 2.256 179.863 177.584 0.039 0.000 1.169 371 A CA 1.443 53.505 52.037 0.041 0.000 0.635 371 A CB -0.409 18.569 19.000 -0.038 0.000 0.810 371 A HN 0.325 nan 8.150 nan 0.000 0.446 372 K N -1.028 119.305 120.400 -0.112 0.000 2.439 372 K HA -0.034 4.288 4.320 0.003 0.000 0.197 372 K C 1.531 178.155 176.600 0.041 0.000 1.041 372 K CA 1.351 57.436 56.287 -0.336 0.000 0.970 372 K CB -0.050 32.281 32.500 -0.283 0.000 0.773 372 K HN 0.500 nan 8.250 nan 0.000 0.479 373 T N 0.872 115.483 114.554 0.097 0.000 2.980 373 T HA 0.140 4.492 4.350 0.003 0.000 0.239 373 T C 0.576 175.410 174.700 0.224 0.000 1.011 373 T CA -0.026 62.160 62.100 0.144 0.000 1.171 373 T CB 0.127 69.049 68.868 0.089 0.000 0.873 373 T HN -0.017 nan 8.240 nan 0.000 0.431 374 L N 1.947 123.306 121.223 0.227 0.000 2.490 374 L HA 0.283 4.625 4.340 0.003 0.000 0.274 374 L C 0.559 177.621 176.870 0.320 0.000 1.201 374 L CA 0.143 55.163 54.840 0.300 0.000 0.869 374 L CB 0.288 42.503 42.059 0.260 0.000 1.123 374 L HN 0.168 nan 8.230 nan 0.000 0.484 375 T N 1.175 115.937 114.554 0.347 0.000 2.831 375 T HA 0.548 4.900 4.350 0.003 0.000 0.287 375 T C -1.806 172.987 174.700 0.154 0.000 1.070 375 T CA -0.443 61.815 62.100 0.263 0.000 1.010 375 T CB 1.269 70.301 68.868 0.274 0.000 1.264 375 T HN 0.439 nan 8.240 nan 0.000 0.532 376 Y N 2.742 123.037 120.300 -0.008 0.000 2.307 376 Y HA 0.440 4.991 4.550 0.003 0.000 0.323 376 Y C -2.572 173.299 175.900 -0.049 0.000 1.100 376 Y CA -2.137 55.912 58.100 -0.085 0.000 1.140 376 Y CB 1.963 40.396 38.460 -0.044 0.000 1.159 376 Y HN 0.326 nan 8.280 nan 0.000 0.436 377 P HA -0.015 nan 4.420 nan 0.000 0.263 377 P C -0.834 176.343 177.300 -0.205 0.000 1.345 377 P CA 0.536 63.460 63.100 -0.293 0.000 1.119 377 P CB 0.503 32.007 31.700 -0.326 0.000 1.363 378 E N 3.280 123.553 120.200 0.120 0.000 2.175 378 E HA 0.328 4.680 4.350 0.003 0.000 0.278 378 E C -0.874 175.811 176.600 0.142 0.000 0.969 378 E CA -0.957 55.588 56.400 0.242 0.000 0.796 378 E CB 1.192 31.064 29.700 0.286 0.000 1.104 378 E HN 0.055 nan 8.360 nan 0.000 0.395 379 V N 4.691 124.681 119.914 0.128 0.000 2.649 379 V HA 0.105 4.227 4.120 0.003 0.000 0.292 379 V C -0.001 176.164 176.094 0.119 0.000 1.055 379 V CA -0.695 61.676 62.300 0.117 0.000 1.023 379 V CB 1.574 33.453 31.823 0.094 0.000 0.992 379 V HN 0.608 nan 8.190 nan 0.000 0.480 380 V N 4.501 124.501 119.914 0.142 0.000 2.585 380 V HA 0.267 4.389 4.120 0.003 0.000 0.296 380 V C 0.468 176.601 176.094 0.065 0.000 1.035 380 V CA 0.513 62.892 62.300 0.133 0.000 1.084 380 V CB 0.756 32.684 31.823 0.175 0.000 0.953 380 V HN 1.018 nan 8.190 nan 0.000 0.483 381 T N 7.117 121.666 114.554 -0.007 0.000 2.993 381 T HA 0.364 4.717 4.350 0.003 0.000 0.312 381 T C -1.871 172.633 174.700 -0.328 0.000 1.115 381 T CA -0.786 61.161 62.100 -0.255 0.000 1.027 381 T CB 2.367 71.112 68.868 -0.205 0.000 1.116 381 T HN 0.449 nan 8.240 nan 0.000 0.464 382 P HA -0.176 nan 4.420 nan 0.000 0.218 382 P C 0.704 177.876 177.300 -0.213 0.000 1.147 382 P CA 1.546 64.397 63.100 -0.415 0.000 0.827 382 P CB -0.129 31.205 31.700 -0.609 0.000 0.778 383 Y N 0.282 120.543 120.300 -0.064 0.000 2.553 383 Y HA 0.004 4.555 4.550 0.003 0.000 0.303 383 Y C 1.824 177.722 175.900 -0.002 0.000 1.194 383 Y CA 0.268 58.352 58.100 -0.026 0.000 1.305 383 Y CB -0.718 37.724 38.460 -0.030 0.000 1.045 383 Y HN 0.218 nan 8.280 nan 0.000 0.514 384 N N -2.118 116.637 118.700 0.092 0.000 2.011 384 N HA -0.059 4.684 4.740 0.003 0.000 0.254 384 N C 0.949 176.500 175.510 0.070 0.000 1.205 384 N CA -0.034 53.067 53.050 0.085 0.000 0.783 384 N CB -0.837 37.704 38.487 0.090 0.000 1.472 384 N HN 0.215 nan 8.380 nan 0.000 0.524 385 I N 1.760 122.378 120.570 0.080 0.000 2.346 385 I HA -0.462 3.710 4.170 0.003 0.000 0.240 385 I C 1.192 177.337 176.117 0.046 0.000 0.970 385 I CA 2.410 63.757 61.300 0.078 0.000 1.269 385 I CB -0.311 37.755 38.000 0.110 0.000 0.971 385 I HN 0.255 nan 8.210 nan 0.000 0.412 386 D N -0.225 120.200 120.400 0.043 0.000 2.127 386 D HA -0.273 4.369 4.640 0.003 0.000 0.190 386 D C 2.113 178.427 176.300 0.024 0.000 1.000 386 D CA 1.883 55.899 54.000 0.028 0.000 0.839 386 D CB -0.488 40.329 40.800 0.029 0.000 0.955 386 D HN 0.452 nan 8.370 nan 0.000 0.446 387 R N 0.643 121.161 120.500 0.030 0.000 2.073 387 R HA -0.091 4.251 4.340 0.003 0.000 0.234 387 R C 2.675 178.989 176.300 0.022 0.000 1.134 387 R CA 0.734 56.848 56.100 0.023 0.000 0.952 387 R CB -0.453 29.862 30.300 0.026 0.000 0.850 387 R HN 0.166 nan 8.270 nan 0.000 0.433 388 L N 0.177 121.422 121.223 0.035 0.000 1.989 388 L HA -0.195 4.147 4.340 0.003 0.000 0.211 388 L C 2.550 179.438 176.870 0.030 0.000 1.071 388 L CA 2.031 56.895 54.840 0.040 0.000 0.749 388 L CB -0.613 41.484 42.059 0.063 0.000 0.890 388 L HN 0.307 nan 8.230 nan 0.000 0.431 389 T N -1.272 113.297 114.554 0.025 0.000 2.684 389 T HA -0.302 4.050 4.350 0.003 0.000 0.267 389 T C 1.737 176.442 174.700 0.009 0.000 1.036 389 T CA 1.753 63.861 62.100 0.014 0.000 1.148 389 T CB -0.193 68.673 68.868 -0.002 0.000 0.863 389 T HN 0.255 nan 8.240 nan 0.000 0.436 390 Q N 1.000 120.804 119.800 0.007 0.000 2.112 390 Q HA -0.099 4.243 4.340 0.003 0.000 0.206 390 Q C 2.073 178.073 176.000 -0.001 0.000 0.987 390 Q CA 1.702 57.507 55.803 0.003 0.000 0.858 390 Q CB -0.731 28.010 28.738 0.004 0.000 0.905 390 Q HN 0.559 nan 8.270 nan 0.000 0.420 391 L N -0.791 120.430 121.223 -0.005 0.000 2.005 391 L HA -0.138 4.204 4.340 0.003 0.000 0.207 391 L C 2.374 179.229 176.870 -0.024 0.000 1.072 391 L CA 1.209 56.037 54.840 -0.019 0.000 0.744 391 L CB -0.964 41.077 42.059 -0.030 0.000 0.895 391 L HN 0.109 nan 8.230 nan 0.000 0.433 392 V N 0.161 120.068 119.914 -0.012 0.000 2.439 392 V HA -0.314 3.808 4.120 0.003 0.000 0.253 392 V C 2.647 178.737 176.094 -0.007 0.000 1.074 392 V CA 1.815 64.110 62.300 -0.008 0.000 1.076 392 V CB -0.831 31.008 31.823 0.026 0.000 0.664 392 V HN 0.434 nan 8.190 nan 0.000 0.461 393 R N -0.231 120.268 120.500 -0.001 0.000 2.115 393 R HA -0.045 4.297 4.340 0.003 0.000 0.226 393 R C 2.195 178.495 176.300 -0.000 0.000 1.100 393 R CA 0.984 57.085 56.100 0.002 0.000 0.980 393 R CB -0.345 29.957 30.300 0.003 0.000 0.875 393 R HN 0.508 nan 8.270 nan 0.000 0.445 394 N N 0.411 119.110 118.700 -0.002 0.000 2.364 394 N HA -0.072 4.671 4.740 0.003 0.000 0.183 394 N C 0.756 176.273 175.510 0.012 0.000 1.022 394 N CA 1.280 54.334 53.050 0.006 0.000 0.883 394 N CB 0.002 38.494 38.487 0.008 0.000 0.965 394 N HN 0.316 nan 8.380 nan 0.000 0.438 395 G N 0.711 109.506 108.800 -0.009 0.000 2.846 395 G HA2 -0.179 3.783 3.960 0.003 0.000 0.660 395 G HA3 -0.179 3.783 3.960 0.003 0.000 0.660 395 G C -1.975 172.937 174.900 0.021 0.000 1.464 395 G CA -0.221 44.870 45.100 -0.016 0.000 0.891 395 G HN 0.100 nan 8.290 nan 0.000 0.552 396 P HA 0.010 nan 4.420 nan 0.000 0.251 396 P C 0.392 177.797 177.300 0.175 0.000 1.251 396 P CA 1.088 64.245 63.100 0.095 0.000 0.763 396 P CB -0.274 31.389 31.700 -0.061 0.000 1.067 397 N N -0.917 117.854 118.700 0.118 0.000 2.390 397 N HA 0.147 4.890 4.740 0.003 0.000 0.259 397 N C -0.553 174.982 175.510 0.042 0.000 1.395 397 N CA -0.261 52.823 53.050 0.057 0.000 0.852 397 N CB 0.730 39.232 38.487 0.026 0.000 1.371 397 N HN 0.119 nan 8.380 nan 0.000 0.491 398 E N -0.355 119.890 120.200 0.074 0.000 2.275 398 E HA 0.153 4.505 4.350 0.003 0.000 0.270 398 E C 0.001 176.647 176.600 0.078 0.000 0.882 398 E CA -0.488 55.945 56.400 0.056 0.000 0.758 398 E CB 1.296 31.024 29.700 0.046 0.000 1.195 398 E HN 0.180 nan 8.360 nan 0.000 0.419 399 H N 4.886 123.933 119.070 -0.039 0.000 2.371 399 H HA -0.103 4.454 4.556 0.002 0.000 0.292 399 H C -1.358 174.021 175.328 0.086 0.000 1.066 399 H CA 2.433 58.440 56.048 -0.068 0.000 1.153 399 H CB -0.832 28.889 29.762 -0.069 0.000 1.375 399 H HN 0.394 nan 8.280 nan 0.000 0.558 400 P HA 0.060 nan 4.420 nan 0.000 0.311 400 P C -0.212 177.039 177.300 -0.081 0.000 1.543 400 P CA 0.884 63.759 63.100 -0.375 0.000 0.766 400 P CB -0.498 31.097 31.700 -0.175 0.000 1.711 401 G N -0.620 108.272 108.800 0.154 0.000 2.702 401 G HA2 0.759 4.721 3.960 0.003 0.000 0.254 401 G HA3 0.759 4.721 3.960 0.003 0.000 0.254 401 G C -0.866 173.820 174.900 -0.356 0.000 1.380 401 G CA -0.251 44.885 45.100 0.059 0.000 1.042 401 G HN 0.284 nan 8.290 nan 0.000 0.557 402 A N -1.464 121.059 122.820 -0.496 0.000 2.567 402 A HA 0.851 5.173 4.320 0.003 0.000 0.289 402 A C -1.026 176.305 177.584 -0.421 0.000 1.177 402 A CA -0.713 50.964 52.037 -0.600 0.000 0.694 402 A CB 1.541 20.396 19.000 -0.241 0.000 1.292 402 A HN 0.595 nan 8.150 nan 0.000 0.425 403 K N -0.573 119.650 120.400 -0.295 0.000 2.482 403 K HA 0.650 4.972 4.320 0.003 0.000 0.257 403 K C -1.694 174.811 176.600 -0.159 0.000 0.969 403 K CA -0.734 55.368 56.287 -0.309 0.000 0.842 403 K CB 1.743 34.047 32.500 -0.327 0.000 1.359 403 K HN 0.684 nan 8.250 nan 0.000 0.441 404 Y N -1.009 119.256 120.300 -0.059 0.000 2.525 404 Y HA -0.258 4.296 4.550 0.007 0.000 0.028 404 Y C -0.545 175.337 175.900 -0.029 0.000 1.718 404 Y CA -0.388 57.687 58.100 -0.042 0.000 1.406 404 Y CB -0.631 37.813 38.460 -0.027 0.000 2.052 404 Y HN 0.203 nan 8.280 nan 0.000 0.257 405 V N 5.768 125.769 119.914 0.146 0.000 2.482 405 V HA 0.455 4.577 4.120 0.003 0.000 0.295 405 V C -0.043 176.015 176.094 -0.060 0.000 1.026 405 V CA -0.834 61.508 62.300 0.070 0.000 0.856 405 V CB 1.682 33.566 31.823 0.101 0.000 1.001 405 V HN 0.474 nan 8.190 nan 0.000 0.424 406 I N 5.163 125.682 120.570 -0.086 0.000 2.353 406 I HA 0.562 4.734 4.170 0.003 0.000 0.293 406 I C 0.340 176.199 176.117 -0.429 0.000 0.992 406 I CA -0.440 60.740 61.300 -0.200 0.000 1.268 406 I CB 1.291 39.226 38.000 -0.108 0.000 1.387 406 I HN 0.537 nan 8.210 nan 0.000 0.478 407 R N 3.159 123.302 120.500 -0.594 0.000 2.902 407 R HA 0.308 4.651 4.340 0.003 0.000 0.258 407 R C 0.424 176.492 176.300 -0.388 0.000 1.071 407 R CA -0.851 54.693 56.100 -0.926 0.000 1.024 407 R CB 0.911 30.521 30.300 -1.151 0.000 1.184 407 R HN 0.471 nan 8.270 nan 0.000 0.492 408 D N 0.650 120.915 120.400 -0.225 0.000 2.204 408 D HA -0.241 4.401 4.640 0.003 0.000 0.189 408 D C 1.652 177.926 176.300 -0.043 0.000 1.006 408 D CA 2.584 56.574 54.000 -0.017 0.000 0.855 408 D CB -0.363 40.493 40.800 0.094 0.000 0.946 408 D HN 0.572 nan 8.370 nan 0.000 0.448 409 S N -0.929 114.731 115.700 -0.067 0.000 2.442 409 S HA 0.078 4.550 4.470 0.003 0.000 0.236 409 S C 1.735 176.298 174.600 -0.061 0.000 1.007 409 S CA 1.139 59.308 58.200 -0.051 0.000 0.965 409 S CB 0.084 63.253 63.200 -0.051 0.000 0.773 409 S HN 0.506 nan 8.310 nan 0.000 0.504 410 G N 0.944 109.683 108.800 -0.101 0.000 2.141 410 G HA2 -0.126 3.836 3.960 0.003 0.000 0.195 410 G HA3 -0.126 3.836 3.960 0.003 0.000 0.195 410 G C -0.644 174.190 174.900 -0.109 0.000 1.012 410 G CA -0.130 44.914 45.100 -0.093 0.000 0.696 410 G HN 0.479 nan 8.290 nan 0.000 0.508 411 D N -0.222 120.089 120.400 -0.147 0.000 2.253 411 D HA 0.488 5.130 4.640 0.003 0.000 0.249 411 D C 0.512 176.721 176.300 -0.151 0.000 1.049 411 D CA -0.213 53.707 54.000 -0.134 0.000 0.929 411 D CB 1.074 41.795 40.800 -0.132 0.000 1.176 411 D HN 0.183 nan 8.370 nan 0.000 0.437 412 R N 1.710 122.148 120.500 -0.102 0.000 2.275 412 R HA 0.387 4.729 4.340 0.003 0.000 0.326 412 R C -0.378 175.932 176.300 0.017 0.000 0.973 412 R CA -0.536 55.520 56.100 -0.074 0.000 0.854 412 R CB 0.593 30.811 30.300 -0.137 0.000 1.156 412 R HN 0.359 nan 8.270 nan 0.000 0.487 413 I N 3.093 123.673 120.570 0.018 0.000 2.347 413 I HA -0.004 4.168 4.170 0.003 0.000 0.294 413 I C 0.303 176.499 176.117 0.133 0.000 1.090 413 I CA -0.017 61.312 61.300 0.049 0.000 1.314 413 I CB 0.648 38.651 38.000 0.006 0.000 1.423 413 I HN 0.400 nan 8.210 nan 0.000 0.503 414 D N 7.631 128.112 120.400 0.135 0.000 2.344 414 D HA 0.064 4.706 4.640 0.003 0.000 0.253 414 D C 1.023 177.245 176.300 -0.130 0.000 1.255 414 D CA -0.069 53.945 54.000 0.023 0.000 0.894 414 D CB 1.074 41.909 40.800 0.058 0.000 1.067 414 D HN 0.511 nan 8.370 nan 0.000 0.492 415 L N 3.923 125.018 121.223 -0.213 0.000 2.642 415 L HA -0.125 4.217 4.340 0.003 0.000 0.236 415 L C 2.248 179.007 176.870 -0.185 0.000 1.169 415 L CA 0.627 55.370 54.840 -0.162 0.000 0.851 415 L CB -0.161 41.807 42.059 -0.151 0.000 0.968 415 L HN 0.409 nan 8.230 nan 0.000 0.453 416 R N -1.600 118.705 120.500 -0.324 0.000 2.282 416 R HA 0.099 4.441 4.340 0.003 0.000 0.195 416 R C -0.085 176.151 176.300 -0.105 0.000 0.909 416 R CA -0.035 55.876 56.100 -0.314 0.000 1.039 416 R CB 0.159 30.139 30.300 -0.535 0.000 1.015 416 R HN 0.168 nan 8.270 nan 0.000 0.513 417 Y N 0.067 120.349 120.300 -0.029 0.000 2.512 417 Y HA 0.486 5.036 4.550 -0.001 0.000 0.348 417 Y C -0.319 175.580 175.900 -0.001 0.000 0.990 417 Y CA -1.538 56.557 58.100 -0.009 0.000 1.033 417 Y CB 2.675 41.135 38.460 -0.001 0.000 1.259 417 Y HN 0.012 nan 8.280 nan 0.000 0.461 418 S N 1.841 117.640 115.700 0.165 0.000 3.005 418 S HA -0.058 4.414 4.470 0.003 0.000 0.258 418 S C 0.298 174.939 174.600 0.068 0.000 0.620 418 S CA -0.440 57.818 58.200 0.097 0.000 0.680 418 S CB -0.440 62.804 63.200 0.073 0.000 1.032 418 S HN 0.889 nan 8.310 nan 0.000 0.602 419 K N 2.787 123.221 120.400 0.057 0.000 2.184 419 K HA -0.186 4.136 4.320 0.003 0.000 0.210 419 K C 0.889 177.514 176.600 0.041 0.000 1.048 419 K CA 1.691 58.003 56.287 0.042 0.000 0.931 419 K CB -0.347 32.173 32.500 0.033 0.000 0.718 419 K HN 0.560 nan 8.250 nan 0.000 0.465 420 R N 0.482 121.010 120.500 0.046 0.000 3.534 420 R HA 0.259 4.601 4.340 0.003 0.000 0.312 420 R C 0.632 176.962 176.300 0.049 0.000 1.419 420 R CA 0.145 56.273 56.100 0.047 0.000 1.262 420 R CB 0.771 31.102 30.300 0.053 0.000 1.437 420 R HN 0.347 nan 8.270 nan 0.000 0.627 421 A N -0.268 122.577 122.820 0.042 0.000 2.220 421 A HA 0.150 4.472 4.320 0.003 0.000 0.211 421 A C 1.670 179.270 177.584 0.027 0.000 1.176 421 A CA 0.449 52.505 52.037 0.033 0.000 0.834 421 A CB 0.449 19.463 19.000 0.023 0.000 0.868 421 A HN 0.438 nan 8.150 nan 0.000 0.488 422 G N -1.093 107.723 108.800 0.027 0.000 3.233 422 G HA2 0.223 4.185 3.960 0.003 0.000 0.234 422 G HA3 0.223 4.185 3.960 0.003 0.000 0.234 422 G C 0.478 175.390 174.900 0.021 0.000 1.137 422 G CA 0.622 45.735 45.100 0.021 0.000 0.763 422 G HN 0.356 nan 8.290 nan 0.000 0.549 423 D N 0.487 120.905 120.400 0.030 0.000 3.387 423 D HA 0.223 4.865 4.640 0.003 0.000 0.216 423 D C 0.685 177.008 176.300 0.039 0.000 1.147 423 D CA -0.449 53.569 54.000 0.030 0.000 1.258 423 D CB 0.312 41.133 40.800 0.036 0.000 0.945 423 D HN 0.023 nan 8.370 nan 0.000 0.225 424 I N 1.354 121.962 120.570 0.063 0.000 8.240 424 I HA -0.228 3.944 4.170 0.003 0.000 0.126 424 I C -0.701 175.440 176.117 0.039 0.000 1.791 424 I CA 0.113 61.473 61.300 0.101 0.000 2.143 424 I CB -0.476 37.604 38.000 0.134 0.000 3.682 424 I HN 0.310 nan 8.210 nan 0.000 0.201 425 Q N 7.152 126.939 119.800 -0.021 0.000 2.360 425 Q HA 0.512 4.854 4.340 0.003 0.000 0.254 425 Q C -0.094 175.734 176.000 -0.287 0.000 0.975 425 Q CA -0.730 54.997 55.803 -0.127 0.000 0.912 425 Q CB 1.769 30.418 28.738 -0.147 0.000 1.212 425 Q HN 0.536 nan 8.270 nan 0.000 0.452 426 L N 2.620 123.702 121.223 -0.235 0.000 2.485 426 L HA -0.010 4.332 4.340 0.003 0.000 0.275 426 L C 0.587 177.083 176.870 -0.623 0.000 1.207 426 L CA 0.409 55.044 54.840 -0.342 0.000 0.855 426 L CB 0.165 42.163 42.059 -0.101 0.000 1.114 426 L HN 0.344 nan 8.230 nan 0.000 0.485 427 Q N 3.007 122.183 119.800 -1.040 0.000 2.333 427 Q HA 0.323 4.665 4.340 0.003 0.000 0.267 427 Q C -0.913 174.815 176.000 -0.453 0.000 1.012 427 Q CA -0.634 54.589 55.803 -0.968 0.000 0.824 427 Q CB 1.707 29.553 28.738 -1.486 0.000 1.290 427 Q HN 0.400 nan 8.270 nan 0.000 0.449 428 Y N 0.327 120.467 120.300 -0.267 0.000 2.895 428 Y HA 0.022 4.574 4.550 0.004 0.000 0.334 428 Y C 1.645 177.523 175.900 -0.036 0.000 1.261 428 Y CA 0.947 58.973 58.100 -0.124 0.000 1.560 428 Y CB 0.340 38.735 38.460 -0.108 0.000 1.253 428 Y HN 0.982 nan 8.280 nan 0.000 0.582 429 G N 1.517 110.446 108.800 0.215 0.000 2.259 429 G HA2 -0.244 3.718 3.960 0.003 0.000 0.217 429 G HA3 -0.244 3.718 3.960 0.003 0.000 0.217 429 G C -0.221 174.888 174.900 0.349 0.000 1.001 429 G CA -0.535 44.705 45.100 0.233 0.000 0.627 429 G HN 0.558 nan 8.290 nan 0.000 0.501 430 W N 1.268 122.604 121.300 0.059 0.000 2.030 430 W HA 0.731 5.392 4.660 0.001 0.000 0.360 430 W C 0.758 177.301 176.519 0.040 0.000 1.370 430 W CA -0.448 56.922 57.345 0.042 0.000 1.433 430 W CB 0.352 29.835 29.460 0.038 0.000 1.204 430 W HN 0.019 nan 8.180 nan 0.000 0.649 431 K N 0.588 121.117 120.400 0.215 0.000 2.345 431 K HA 0.514 4.836 4.320 0.003 0.000 0.255 431 K C -1.366 175.309 176.600 0.124 0.000 0.934 431 K CA -0.855 55.507 56.287 0.126 0.000 0.801 431 K CB 2.214 34.739 32.500 0.042 0.000 1.137 431 K HN 0.038 nan 8.250 nan 0.000 0.424 432 V N 3.442 123.429 119.914 0.122 0.000 2.250 432 V HA 0.088 4.210 4.120 0.003 0.000 0.268 432 V C -0.180 175.967 176.094 0.087 0.000 1.043 432 V CA -0.780 61.586 62.300 0.109 0.000 0.814 432 V CB 0.641 32.529 31.823 0.109 0.000 1.072 432 V HN 0.719 nan 8.190 nan 0.000 0.451 433 E N 4.994 125.247 120.200 0.088 0.000 2.481 433 E HA -0.040 4.312 4.350 0.003 0.000 0.240 433 E C 0.422 177.055 176.600 0.054 0.000 1.193 433 E CA 0.123 56.579 56.400 0.093 0.000 0.955 433 E CB 0.241 30.047 29.700 0.176 0.000 1.006 433 E HN 0.707 nan 8.360 nan 0.000 0.483 434 R N 2.258 122.802 120.500 0.072 0.000 2.596 434 R HA 0.364 4.706 4.340 0.003 0.000 0.267 434 R C 0.329 176.657 176.300 0.046 0.000 1.026 434 R CA -0.839 55.259 56.100 -0.003 0.000 1.087 434 R CB 0.756 31.079 30.300 0.038 0.000 1.132 434 R HN 0.327 nan 8.270 nan 0.000 0.531 435 H N 0.450 119.559 119.070 0.065 0.000 2.801 435 H HA 0.082 4.639 4.556 0.001 0.000 0.377 435 H C 0.447 175.842 175.328 0.112 0.000 1.304 435 H CA -0.169 55.934 56.048 0.090 0.000 1.451 435 H CB 0.506 30.295 29.762 0.046 0.000 1.474 435 H HN 0.341 nan 8.280 nan 0.000 0.620 436 I N 2.570 123.327 120.570 0.312 0.000 2.471 436 I HA 0.007 4.179 4.170 0.003 0.000 0.286 436 I C 1.011 177.271 176.117 0.238 0.000 1.079 436 I CA 0.440 61.869 61.300 0.215 0.000 1.398 436 I CB -0.272 37.840 38.000 0.187 0.000 1.403 436 I HN 0.340 nan 8.210 nan 0.000 0.530 437 M N 3.618 123.302 119.600 0.140 0.000 2.823 437 M HA 0.341 4.823 4.480 0.003 0.000 0.282 437 M C -0.156 176.211 176.300 0.112 0.000 1.177 437 M CA -0.999 54.393 55.300 0.153 0.000 0.871 437 M CB 0.819 33.454 32.600 0.058 0.000 1.595 437 M HN 0.315 nan 8.290 nan 0.000 0.524 438 D N 1.132 121.597 120.400 0.108 0.000 2.382 438 D HA 0.091 4.733 4.640 0.003 0.000 0.240 438 D C 0.212 176.528 176.300 0.026 0.000 1.146 438 D CA 0.864 54.900 54.000 0.060 0.000 0.897 438 D CB 0.262 41.096 40.800 0.056 0.000 1.197 438 D HN 0.535 nan 8.370 nan 0.000 0.432 439 N N 0.439 119.148 118.700 0.016 0.000 2.863 439 N HA -0.179 4.563 4.740 0.003 0.000 0.245 439 N C -0.785 174.717 175.510 -0.013 0.000 1.001 439 N CA 0.779 53.831 53.050 0.003 0.000 0.901 439 N CB -0.857 37.630 38.487 -0.000 0.000 1.124 439 N HN 0.450 nan 8.380 nan 0.000 0.582 440 D N 0.520 120.910 120.400 -0.017 0.000 2.368 440 D HA 0.222 4.864 4.640 0.003 0.000 0.240 440 D C -1.992 174.299 176.300 -0.015 0.000 1.169 440 D CA -0.615 53.358 54.000 -0.046 0.000 0.906 440 D CB 0.494 41.266 40.800 -0.046 0.000 1.187 440 D HN 0.152 nan 8.370 nan 0.000 0.435 441 P HA 0.228 nan 4.420 nan 0.000 0.300 441 P C -1.024 176.300 177.300 0.041 0.000 1.326 441 P CA -0.580 62.527 63.100 0.013 0.000 0.844 441 P CB 1.413 33.116 31.700 0.005 0.000 0.992 442 V N 1.366 121.318 119.914 0.062 0.000 2.925 442 V HA 0.473 4.595 4.120 0.003 0.000 0.311 442 V C -0.602 175.571 176.094 0.131 0.000 1.104 442 V CA -1.194 61.162 62.300 0.092 0.000 0.954 442 V CB 2.273 34.138 31.823 0.069 0.000 1.022 442 V HN 0.390 nan 8.190 nan 0.000 0.427 443 L N 3.965 125.289 121.223 0.168 0.000 2.278 443 L HA 0.528 4.870 4.340 0.003 0.000 0.287 443 L C -1.162 175.884 176.870 0.294 0.000 1.072 443 L CA -0.348 54.614 54.840 0.203 0.000 0.819 443 L CB 0.815 42.985 42.059 0.185 0.000 1.176 443 L HN 0.795 nan 8.230 nan 0.000 0.435 444 F N 6.683 126.692 119.950 0.098 0.000 2.444 444 F HA 0.450 4.979 4.527 0.004 0.000 0.342 444 F C -0.182 175.625 175.800 0.012 0.000 1.121 444 F CA -0.957 57.039 58.000 -0.005 0.000 0.997 444 F CB 1.057 40.107 39.000 0.083 0.000 1.130 444 F HN 0.529 nan 8.300 nan 0.000 0.454 445 N N 5.259 123.698 118.700 -0.435 0.000 2.284 445 N HA 0.428 5.170 4.740 0.003 0.000 0.289 445 N C -1.907 173.324 175.510 -0.465 0.000 1.179 445 N CA -0.803 52.056 53.050 -0.319 0.000 0.774 445 N CB 2.712 41.208 38.487 0.015 0.000 1.548 445 N HN 0.798 nan 8.380 nan 0.000 0.473 446 R N 1.120 121.461 120.500 -0.265 0.000 2.637 446 R HA 0.371 4.713 4.340 0.003 0.000 0.291 446 R C -1.008 175.257 176.300 -0.060 0.000 0.963 446 R CA -0.409 55.570 56.100 -0.202 0.000 0.901 446 R CB 1.583 31.776 30.300 -0.178 0.000 1.160 446 R HN 0.614 nan 8.270 nan 0.000 0.457 447 Q N 3.515 123.282 119.800 -0.055 0.000 2.257 447 Q HA 0.438 4.780 4.340 0.003 0.000 0.262 447 Q C -2.133 173.848 176.000 -0.032 0.000 0.997 447 Q CA -2.100 53.686 55.803 -0.028 0.000 0.873 447 Q CB 1.870 30.598 28.738 -0.017 0.000 1.312 447 Q HN 0.539 nan 8.270 nan 0.000 0.450 448 P HA 0.059 nan 4.420 nan 0.000 0.275 448 P C -0.960 176.320 177.300 -0.033 0.000 1.227 448 P CA -0.294 62.788 63.100 -0.031 0.000 0.781 448 P CB 0.869 32.545 31.700 -0.039 0.000 0.906 449 S N 2.727 118.415 115.700 -0.020 0.000 3.729 449 S HA 0.193 4.665 4.470 0.003 0.000 0.235 449 S C 0.632 175.215 174.600 -0.028 0.000 1.367 449 S CA -0.555 57.641 58.200 -0.008 0.000 0.907 449 S CB -0.840 62.366 63.200 0.011 0.000 1.471 449 S HN 0.341 nan 8.310 nan 0.000 0.476 450 L N 0.252 121.427 121.223 -0.079 0.000 3.064 450 L HA 0.610 4.952 4.340 0.003 0.000 0.233 450 L C 0.070 176.869 176.870 -0.118 0.000 1.333 450 L CA -0.050 54.719 54.840 -0.118 0.000 1.140 450 L CB -1.228 40.724 42.059 -0.178 0.000 1.519 450 L HN 0.517 nan 8.230 nan 0.000 0.493 451 H N -1.518 117.507 119.070 -0.076 0.000 2.863 451 H HA 0.313 4.871 4.556 0.003 0.000 0.274 451 H C -0.105 175.169 175.328 -0.090 0.000 1.457 451 H CA -0.846 55.143 56.048 -0.098 0.000 1.151 451 H CB 1.641 31.334 29.762 -0.116 0.000 1.844 451 H HN -0.030 nan 8.280 nan 0.000 0.562 452 K N 0.163 120.553 120.400 -0.016 0.000 2.168 452 K HA 0.057 4.379 4.320 0.003 0.000 0.201 452 K C 1.524 178.066 176.600 -0.097 0.000 1.049 452 K CA 0.843 57.089 56.287 -0.069 0.000 0.974 452 K CB 0.177 32.605 32.500 -0.119 0.000 0.792 452 K HN 0.266 nan 8.250 nan 0.000 0.463 453 M N 1.421 120.903 119.600 -0.197 0.000 2.521 453 M HA -0.118 4.365 4.480 0.003 0.000 0.260 453 M C 1.638 177.755 176.300 -0.304 0.000 1.068 453 M CA 1.353 56.472 55.300 -0.302 0.000 1.060 453 M CB -0.324 32.036 32.600 -0.400 0.000 1.398 453 M HN -0.051 nan 8.290 nan 0.000 0.473 454 S N -0.748 114.929 115.700 -0.039 0.000 2.489 454 S HA 0.190 4.662 4.470 0.003 0.000 0.228 454 S C 0.726 175.472 174.600 0.244 0.000 0.995 454 S CA 0.646 58.910 58.200 0.106 0.000 0.934 454 S CB -0.023 63.236 63.200 0.098 0.000 0.771 454 S HN 0.420 nan 8.310 nan 0.000 0.522 455 M N 1.751 121.430 119.600 0.130 0.000 2.093 455 M HA 0.492 4.974 4.480 0.003 0.000 0.297 455 M C -1.242 175.124 176.300 0.109 0.000 0.938 455 M CA 0.217 55.615 55.300 0.163 0.000 0.920 455 M CB 1.711 34.357 32.600 0.076 0.000 1.517 455 M HN 0.077 nan 8.290 nan 0.000 0.427 456 M N 1.761 121.475 119.600 0.190 0.000 2.531 456 M HA 0.716 5.198 4.480 0.003 0.000 0.286 456 M C -0.632 175.624 176.300 -0.072 0.000 1.232 456 M CA -0.897 54.403 55.300 -0.000 0.000 0.877 456 M CB 2.449 34.983 32.600 -0.110 0.000 1.726 456 M HN 0.665 nan 8.290 nan 0.000 0.463 457 A N 1.450 124.182 122.820 -0.147 0.000 2.328 457 A HA 0.627 4.949 4.320 0.003 0.000 0.284 457 A C -0.948 176.490 177.584 -0.244 0.000 1.160 457 A CA -0.262 51.713 52.037 -0.103 0.000 0.818 457 A CB 0.155 19.128 19.000 -0.044 0.000 1.087 457 A HN 0.809 nan 8.150 nan 0.000 0.504 458 H N 1.389 120.489 119.070 0.050 0.000 2.747 458 H HA 0.358 4.916 4.556 0.003 0.000 0.371 458 H C -0.458 174.857 175.328 -0.021 0.000 1.161 458 H CA -0.632 55.421 56.048 0.008 0.000 1.167 458 H CB 1.516 31.252 29.762 -0.042 0.000 1.732 458 H HN 0.712 nan 8.280 nan 0.000 0.544 459 R N 1.055 121.624 120.500 0.115 0.000 2.347 459 R HA 0.242 4.584 4.340 0.003 0.000 0.304 459 R C -0.108 176.206 176.300 0.024 0.000 1.072 459 R CA -0.489 55.641 56.100 0.049 0.000 0.980 459 R CB 0.713 31.035 30.300 0.038 0.000 0.986 459 R HN 0.212 nan 8.270 nan 0.000 0.448 460 V N 3.614 123.534 119.914 0.010 0.000 2.963 460 V HA 0.059 4.181 4.120 0.003 0.000 0.306 460 V C 0.536 176.627 176.094 -0.005 0.000 1.077 460 V CA 0.344 62.640 62.300 -0.007 0.000 1.124 460 V CB 0.881 32.713 31.823 0.015 0.000 0.987 460 V HN 0.577 nan 8.190 nan 0.000 0.487 461 K N 3.338 123.726 120.400 -0.021 0.000 2.761 461 K HA 0.300 4.622 4.320 0.003 0.000 0.257 461 K C -1.317 175.260 176.600 -0.039 0.000 1.053 461 K CA -0.393 55.883 56.287 -0.018 0.000 1.035 461 K CB 1.558 34.044 32.500 -0.023 0.000 1.267 461 K HN 0.432 nan 8.250 nan 0.000 0.505 462 V N 6.087 125.968 119.914 -0.055 0.000 2.572 462 V HA 0.305 4.427 4.120 0.003 0.000 0.291 462 V C 0.827 176.844 176.094 -0.128 0.000 1.039 462 V CA -0.086 62.125 62.300 -0.148 0.000 1.055 462 V CB 0.074 31.682 31.823 -0.358 0.000 0.969 462 V HN 0.613 nan 8.190 nan 0.000 0.482 463 I N 3.226 123.724 120.570 -0.120 0.000 3.102 463 I HA 0.721 4.893 4.170 0.003 0.000 0.310 463 I C -2.715 173.347 176.117 -0.093 0.000 1.246 463 I CA -2.560 58.694 61.300 -0.076 0.000 0.979 463 I CB 2.461 40.450 38.000 -0.019 0.000 1.267 463 I HN 0.368 nan 8.210 nan 0.000 0.451 464 P HA 0.146 nan 4.420 nan 0.000 0.274 464 P C -0.982 176.255 177.300 -0.104 0.000 1.264 464 P CA 0.514 63.471 63.100 -0.239 0.000 0.795 464 P CB 0.182 31.623 31.700 -0.433 0.000 1.064 465 Y N -2.973 117.278 120.300 -0.082 0.000 2.501 465 Y HA -0.226 4.327 4.550 0.006 0.000 0.097 465 Y C 0.995 176.828 175.900 -0.111 0.000 1.696 465 Y CA 0.940 58.989 58.100 -0.085 0.000 1.423 465 Y CB -1.927 36.488 38.460 -0.076 0.000 2.068 465 Y HN 0.428 nan 8.280 nan 0.000 0.253 466 S N -1.211 114.518 115.700 0.049 0.000 2.449 466 S HA 0.507 4.979 4.470 0.003 0.000 0.237 466 S C -0.395 174.124 174.600 -0.135 0.000 1.214 466 S CA -0.005 58.151 58.200 -0.074 0.000 1.226 466 S CB 0.051 63.199 63.200 -0.087 0.000 0.904 466 S HN 0.868 nan 8.310 nan 0.000 0.490 467 T N -1.423 113.059 114.554 -0.120 0.000 2.893 467 T HA 0.674 5.026 4.350 0.003 0.000 0.291 467 T C -0.433 174.191 174.700 -0.126 0.000 1.028 467 T CA -0.825 61.194 62.100 -0.135 0.000 0.995 467 T CB 0.623 69.461 68.868 -0.050 0.000 1.051 467 T HN 0.215 nan 8.240 nan 0.000 0.470 468 F N 1.726 121.674 119.950 -0.004 0.000 2.529 468 F HA 0.336 4.865 4.527 0.004 0.000 0.365 468 F C 1.615 177.376 175.800 -0.065 0.000 1.102 468 F CA -0.534 57.427 58.000 -0.066 0.000 1.271 468 F CB 0.745 39.740 39.000 -0.008 0.000 1.120 468 F HN 0.246 nan 8.300 nan 0.000 0.579 469 R N 4.698 125.241 120.500 0.072 0.000 2.343 469 R HA 0.554 4.896 4.340 0.003 0.000 0.320 469 R C -1.377 174.894 176.300 -0.049 0.000 0.956 469 R CA -0.989 55.104 56.100 -0.011 0.000 0.836 469 R CB 1.548 31.821 30.300 -0.044 0.000 1.151 469 R HN 0.489 nan 8.270 nan 0.000 0.450 470 L N -0.063 121.171 121.223 0.018 0.000 2.388 470 L HA 0.527 4.869 4.340 0.003 0.000 0.264 470 L C -0.120 176.800 176.870 0.083 0.000 0.998 470 L CA -1.044 53.809 54.840 0.021 0.000 0.817 470 L CB 1.103 43.230 42.059 0.115 0.000 1.338 470 L HN 0.336 nan 8.230 nan 0.000 0.414 471 N N 1.217 119.949 118.700 0.054 0.000 2.454 471 N HA 0.101 4.843 4.740 0.003 0.000 0.254 471 N C 0.779 176.373 175.510 0.140 0.000 1.228 471 N CA 0.199 53.294 53.050 0.075 0.000 0.900 471 N CB 0.979 39.495 38.487 0.049 0.000 1.089 471 N HN 0.884 nan 8.380 nan 0.000 0.449 472 L N 2.019 123.329 121.223 0.145 0.000 2.083 472 L HA -0.130 4.212 4.340 0.003 0.000 0.209 472 L C 1.940 178.881 176.870 0.118 0.000 1.083 472 L CA 0.995 55.947 54.840 0.186 0.000 0.752 472 L CB -0.272 41.887 42.059 0.166 0.000 0.899 472 L HN 0.500 nan 8.230 nan 0.000 0.433 473 S N -1.167 114.571 115.700 0.064 0.000 2.803 473 S HA -0.003 4.469 4.470 0.003 0.000 0.226 473 S C 1.306 175.848 174.600 -0.097 0.000 0.962 473 S CA 0.155 58.344 58.200 -0.020 0.000 0.968 473 S CB 0.224 63.388 63.200 -0.061 0.000 0.786 473 S HN 0.165 nan 8.310 nan 0.000 0.527 474 V N 0.300 120.230 119.914 0.027 0.000 3.528 474 V HA 0.027 4.149 4.120 0.003 0.000 0.294 474 V C 1.967 178.179 176.094 0.197 0.000 1.404 474 V CA 0.675 63.041 62.300 0.110 0.000 1.065 474 V CB 0.133 32.127 31.823 0.286 0.000 0.904 474 V HN 0.405 nan 8.190 nan 0.000 0.435 475 T N 1.076 115.703 114.554 0.123 0.000 2.595 475 T HA -0.209 4.143 4.350 0.003 0.000 0.264 475 T C 2.139 176.865 174.700 0.043 0.000 1.058 475 T CA 2.485 64.628 62.100 0.071 0.000 1.166 475 T CB -0.215 68.652 68.868 -0.002 0.000 0.863 475 T HN 0.735 nan 8.240 nan 0.000 0.415 476 S N 1.891 117.591 115.700 -0.000 0.000 2.370 476 S HA -0.086 4.386 4.470 0.003 0.000 0.226 476 S C -0.583 173.997 174.600 -0.034 0.000 1.033 476 S CA 1.229 59.418 58.200 -0.018 0.000 1.011 476 S CB -1.866 61.323 63.200 -0.019 0.000 0.852 476 S HN 0.402 nan 8.310 nan 0.000 0.457 477 P HA -0.078 nan 4.420 nan 0.000 0.216 477 P C 0.781 177.978 177.300 -0.171 0.000 1.150 477 P CA 1.184 64.165 63.100 -0.200 0.000 0.837 477 P CB -0.210 31.239 31.700 -0.417 0.000 0.786 478 Y N -2.686 117.609 120.300 -0.009 0.000 2.511 478 Y HA 0.122 4.674 4.550 0.004 0.000 0.279 478 Y C 0.807 176.665 175.900 -0.071 0.000 1.157 478 Y CA -0.113 57.959 58.100 -0.046 0.000 1.300 478 Y CB -0.515 37.893 38.460 -0.087 0.000 1.052 478 Y HN -0.100 nan 8.280 nan 0.000 0.529 479 N N 0.636 119.371 118.700 0.058 0.000 2.708 479 N HA -0.181 4.561 4.740 0.003 0.000 0.255 479 N C -0.808 174.679 175.510 -0.039 0.000 1.046 479 N CA 0.601 53.645 53.050 -0.010 0.000 0.715 479 N CB -0.970 37.496 38.487 -0.035 0.000 0.895 479 N HN 0.425 nan 8.380 nan 0.000 0.545 480 A N 0.682 123.462 122.820 -0.067 0.000 2.309 480 A HA 0.804 5.126 4.320 0.003 0.000 0.317 480 A C -0.197 177.203 177.584 -0.306 0.000 1.134 480 A CA 0.215 52.151 52.037 -0.169 0.000 0.866 480 A CB 1.216 20.104 19.000 -0.187 0.000 1.329 480 A HN 0.625 nan 8.150 nan 0.000 0.477 481 D N -2.528 117.619 120.400 -0.422 0.000 2.622 481 D HA 0.416 5.058 4.640 0.003 0.000 0.255 481 D C -1.150 174.826 176.300 -0.541 0.000 1.246 481 D CA -0.462 53.226 54.000 -0.521 0.000 0.795 481 D CB 0.186 40.859 40.800 -0.212 0.000 1.369 481 D HN 0.206 nan 8.370 nan 0.000 0.425 482 F N 0.213 120.172 119.950 0.014 0.000 2.916 482 F HA 0.198 4.727 4.527 0.004 0.000 0.294 482 F C 0.899 176.700 175.800 0.002 0.000 1.189 482 F CA -0.693 57.314 58.000 0.010 0.000 1.369 482 F CB 0.189 39.195 39.000 0.009 0.000 0.961 482 F HN 0.306 nan 8.300 nan 0.000 0.508 483 D N -0.853 119.600 120.400 0.088 0.000 2.328 483 D HA 0.184 4.826 4.640 0.003 0.000 0.226 483 D C 1.690 178.019 176.300 0.049 0.000 1.066 483 D CA 0.656 54.692 54.000 0.059 0.000 0.861 483 D CB 0.389 41.202 40.800 0.022 0.000 0.912 483 D HN 0.413 nan 8.370 nan 0.000 0.521 484 G N -0.190 108.649 108.800 0.065 0.000 2.902 484 G HA2 -0.172 3.790 3.960 0.003 0.000 0.215 484 G HA3 -0.172 3.790 3.960 0.003 0.000 0.215 484 G C -0.458 174.468 174.900 0.044 0.000 0.976 484 G CA -0.418 44.712 45.100 0.050 0.000 0.794 484 G HN 0.218 nan 8.290 nan 0.000 0.557 485 D N 1.636 122.056 120.400 0.033 0.000 2.548 485 D HA 0.309 4.951 4.640 0.003 0.000 0.231 485 D C 0.603 176.932 176.300 0.048 0.000 1.142 485 D CA 0.904 54.913 54.000 0.015 0.000 0.866 485 D CB 0.792 41.576 40.800 -0.026 0.000 1.190 485 D HN 0.529 nan 8.370 nan 0.000 0.469 486 E N 0.724 120.944 120.200 0.034 0.000 2.235 486 E HA 0.567 4.919 4.350 0.003 0.000 0.265 486 E C -0.215 176.411 176.600 0.044 0.000 0.940 486 E CA -0.729 55.712 56.400 0.068 0.000 0.819 486 E CB 1.859 31.590 29.700 0.053 0.000 1.206 486 E HN 0.279 nan 8.360 nan 0.000 0.409 487 M N 1.563 121.235 119.600 0.119 0.000 2.501 487 M HA 0.364 4.846 4.480 0.003 0.000 0.293 487 M C -1.106 175.221 176.300 0.045 0.000 1.192 487 M CA -0.990 54.282 55.300 -0.048 0.000 0.886 487 M CB 2.108 34.525 32.600 -0.304 0.000 1.710 487 M HN 0.335 nan 8.290 nan 0.000 0.457 488 N N 2.165 120.778 118.700 -0.145 0.000 2.473 488 N HA 0.654 5.396 4.740 0.003 0.000 0.291 488 N C -1.510 173.897 175.510 -0.172 0.000 1.083 488 N CA -0.435 52.555 53.050 -0.099 0.000 0.951 488 N CB 1.906 40.335 38.487 -0.096 0.000 1.164 488 N HN 0.496 nan 8.380 nan 0.000 0.480 489 L N 2.206 123.326 121.223 -0.171 0.000 2.365 489 L HA 0.485 4.827 4.340 0.003 0.000 0.273 489 L C -1.123 175.574 176.870 -0.287 0.000 1.000 489 L CA -0.459 54.309 54.840 -0.119 0.000 0.819 489 L CB 1.339 43.303 42.059 -0.159 0.000 1.284 489 L HN 0.507 nan 8.230 nan 0.000 0.418 490 H N 3.842 122.987 119.070 0.126 0.000 2.600 490 H HA 0.570 5.128 4.556 0.004 0.000 0.357 490 H C -1.211 174.198 175.328 0.134 0.000 1.106 490 H CA -0.702 55.429 56.048 0.138 0.000 1.193 490 H CB 2.276 32.105 29.762 0.111 0.000 1.594 490 H HN 0.427 nan 8.280 nan 0.000 0.526 491 V N 4.843 124.915 119.914 0.264 0.000 2.398 491 V HA 0.205 4.327 4.120 0.003 0.000 0.286 491 V C -1.947 174.219 176.094 0.119 0.000 1.026 491 V CA -1.781 60.626 62.300 0.178 0.000 0.868 491 V CB 1.503 33.422 31.823 0.160 0.000 0.982 491 V HN 0.613 nan 8.190 nan 0.000 0.443 492 P HA 0.087 nan 4.420 nan 0.000 0.266 492 P C -0.492 176.834 177.300 0.045 0.000 1.195 492 P CA 0.104 63.261 63.100 0.096 0.000 0.768 492 P CB 1.475 33.252 31.700 0.128 0.000 0.838 493 Q N 0.548 120.298 119.800 -0.084 0.000 2.353 493 Q HA 0.169 4.511 4.340 0.003 0.000 0.240 493 Q C 0.136 175.951 176.000 -0.308 0.000 0.868 493 Q CA 0.698 56.304 55.803 -0.328 0.000 0.944 493 Q CB 0.435 28.960 28.738 -0.355 0.000 1.104 493 Q HN 0.416 nan 8.270 nan 0.000 0.531 494 S N 0.050 115.695 115.700 -0.091 0.000 2.537 494 S HA 0.176 4.648 4.470 0.003 0.000 0.301 494 S C 0.522 175.170 174.600 0.079 0.000 1.092 494 S CA -0.566 57.611 58.200 -0.038 0.000 1.048 494 S CB 1.677 64.864 63.200 -0.022 0.000 1.053 494 S HN 0.111 nan 8.310 nan 0.000 0.501 495 E N 2.089 122.351 120.200 0.102 0.000 2.171 495 E HA -0.210 4.142 4.350 0.003 0.000 0.197 495 E C 1.299 177.952 176.600 0.089 0.000 0.997 495 E CA 1.829 58.312 56.400 0.138 0.000 0.810 495 E CB -0.036 29.730 29.700 0.110 0.000 0.738 495 E HN 0.752 nan 8.360 nan 0.000 0.467 496 E N -0.845 119.393 120.200 0.062 0.000 2.006 496 E HA -0.126 4.227 4.350 0.003 0.000 0.192 496 E C 2.143 178.773 176.600 0.051 0.000 0.993 496 E CA 1.597 58.027 56.400 0.050 0.000 0.808 496 E CB -0.422 29.300 29.700 0.037 0.000 0.764 496 E HN 0.184 nan 8.360 nan 0.000 0.449 497 T N 1.682 116.263 114.554 0.045 0.000 2.635 497 T HA -0.301 4.051 4.350 0.003 0.000 0.265 497 T C 1.798 176.532 174.700 0.057 0.000 1.058 497 T CA 2.127 64.253 62.100 0.043 0.000 1.162 497 T CB -0.440 68.452 68.868 0.039 0.000 0.859 497 T HN 0.187 nan 8.240 nan 0.000 0.449 498 R N 1.209 121.758 120.500 0.083 0.000 2.094 498 R HA -0.055 4.287 4.340 0.003 0.000 0.239 498 R C 2.925 179.251 176.300 0.043 0.000 1.137 498 R CA 1.477 57.620 56.100 0.071 0.000 0.943 498 R CB -0.801 29.543 30.300 0.074 0.000 0.850 498 R HN 0.440 nan 8.270 nan 0.000 0.433 499 A N 1.353 124.199 122.820 0.043 0.000 1.917 499 A HA -0.267 4.055 4.320 0.003 0.000 0.219 499 A C 2.052 179.654 177.584 0.030 0.000 1.182 499 A CA 1.799 53.856 52.037 0.034 0.000 0.633 499 A CB -0.536 18.488 19.000 0.040 0.000 0.819 499 A HN 0.441 nan 8.150 nan 0.000 0.448 500 E N -0.652 119.569 120.200 0.035 0.000 2.204 500 E HA -0.114 4.238 4.350 0.003 0.000 0.195 500 E C 1.849 178.459 176.600 0.017 0.000 0.990 500 E CA 0.810 57.228 56.400 0.029 0.000 0.821 500 E CB -0.114 29.603 29.700 0.028 0.000 0.750 500 E HN 0.683 nan 8.360 nan 0.000 0.477 501 L N -0.114 121.120 121.223 0.018 0.000 2.145 501 L HA -0.060 4.282 4.340 0.003 0.000 0.201 501 L C 2.502 179.370 176.870 -0.002 0.000 1.075 501 L CA 1.080 55.927 54.840 0.010 0.000 0.773 501 L CB -0.344 41.730 42.059 0.025 0.000 0.936 501 L HN 0.157 nan 8.230 nan 0.000 0.451 502 S N -1.332 114.370 115.700 0.004 0.000 2.515 502 S HA -0.124 4.348 4.470 0.003 0.000 0.231 502 S C 1.686 176.283 174.600 -0.005 0.000 0.987 502 S CA 0.578 58.776 58.200 -0.003 0.000 0.936 502 S CB 0.082 63.282 63.200 -0.000 0.000 0.766 502 S HN 0.295 nan 8.310 nan 0.000 0.528 503 Q N -0.778 119.021 119.800 -0.001 0.000 2.316 503 Q HA 0.489 4.831 4.340 0.003 0.000 0.235 503 Q C 1.097 177.091 176.000 -0.011 0.000 0.863 503 Q CA 0.248 56.050 55.803 -0.001 0.000 0.939 503 Q CB 0.399 29.143 28.738 0.011 0.000 1.108 503 Q HN 0.409 nan 8.270 nan 0.000 0.522 504 L N -2.226 118.988 121.223 -0.016 0.000 2.663 504 L HA 0.145 4.487 4.340 0.003 0.000 0.218 504 L C 0.927 177.770 176.870 -0.046 0.000 1.043 504 L CA 0.763 55.586 54.840 -0.029 0.000 0.876 504 L CB 0.087 42.136 42.059 -0.017 0.000 1.263 504 L HN 0.082 nan 8.230 nan 0.000 0.486 505 C N 0.591 119.866 119.300 -0.041 0.000 2.780 505 C HA 0.654 5.116 4.460 0.003 0.000 0.287 505 C C 1.237 176.180 174.990 -0.078 0.000 1.288 505 C CA -1.128 57.856 59.018 -0.056 0.000 1.713 505 C CB -1.489 26.229 27.740 -0.037 0.000 1.955 505 C HN 0.316 nan 8.230 nan 0.000 0.613 506 A N 0.953 123.730 122.820 -0.072 0.000 2.462 506 A HA 0.386 4.708 4.320 0.003 0.000 0.243 506 A C 1.373 178.887 177.584 -0.117 0.000 1.076 506 A CA 0.095 52.080 52.037 -0.087 0.000 0.773 506 A CB 0.372 19.341 19.000 -0.052 0.000 1.010 506 A HN 0.257 nan 8.150 nan 0.000 0.493 507 V N 3.634 123.451 119.914 -0.161 0.000 2.380 507 V HA -0.192 3.930 4.120 0.003 0.000 0.251 507 V C -0.410 175.618 176.094 -0.110 0.000 1.063 507 V CA 2.673 64.878 62.300 -0.159 0.000 1.055 507 V CB -1.649 30.095 31.823 -0.132 0.000 0.657 507 V HN 0.789 nan 8.190 nan 0.000 0.455 508 P HA -0.167 nan 4.420 nan 0.000 0.213 508 P C 1.904 179.172 177.300 -0.052 0.000 1.170 508 P CA 1.474 64.551 63.100 -0.038 0.000 0.902 508 P CB -0.163 31.530 31.700 -0.011 0.000 0.789 509 L N -1.026 120.162 121.223 -0.058 0.000 2.351 509 L HA -0.208 4.134 4.340 0.003 0.000 0.220 509 L C 1.957 178.766 176.870 -0.101 0.000 1.127 509 L CA 1.254 56.053 54.840 -0.068 0.000 0.786 509 L CB -0.856 41.164 42.059 -0.066 0.000 0.914 509 L HN 0.104 nan 8.230 nan 0.000 0.443 510 Q N -0.620 119.107 119.800 -0.121 0.000 2.282 510 Q HA 0.181 4.523 4.340 0.003 0.000 0.206 510 Q C 2.118 178.020 176.000 -0.162 0.000 0.878 510 Q CA 0.198 55.908 55.803 -0.155 0.000 0.944 510 Q CB 0.646 29.274 28.738 -0.183 0.000 1.100 510 Q HN 0.597 nan 8.270 nan 0.000 0.509 511 I N 0.027 120.520 120.570 -0.128 0.000 2.163 511 I HA -0.156 4.016 4.170 0.003 0.000 0.243 511 I C 0.854 176.891 176.117 -0.133 0.000 1.085 511 I CA 0.984 62.218 61.300 -0.110 0.000 1.347 511 I CB 0.060 38.050 38.000 -0.017 0.000 1.044 511 I HN -0.136 nan 8.210 nan 0.000 0.408 512 V N 2.778 122.594 119.914 -0.163 0.000 2.320 512 V HA 0.095 4.217 4.120 0.003 0.000 0.265 512 V C 0.426 176.395 176.094 -0.209 0.000 1.048 512 V CA -0.383 61.776 62.300 -0.236 0.000 0.865 512 V CB 0.763 32.415 31.823 -0.285 0.000 1.043 512 V HN 0.359 nan 8.190 nan 0.000 0.474 513 S N 7.393 122.978 115.700 -0.191 0.000 2.562 513 S HA 0.410 4.882 4.470 0.003 0.000 0.275 513 S C -1.128 173.405 174.600 -0.112 0.000 1.281 513 S CA -1.127 56.969 58.200 -0.173 0.000 1.045 513 S CB 1.583 64.656 63.200 -0.210 0.000 0.962 513 S HN 0.557 nan 8.310 nan 0.000 0.503 514 P HA -0.154 nan 4.420 nan 0.000 0.225 514 P C 1.420 178.822 177.300 0.171 0.000 1.156 514 P CA 0.958 64.083 63.100 0.042 0.000 0.787 514 P CB 0.056 31.794 31.700 0.064 0.000 0.802 515 Q N 1.560 121.368 119.800 0.012 0.000 2.020 515 Q HA -0.114 4.228 4.340 0.003 0.000 0.202 515 Q C 1.883 177.852 176.000 -0.052 0.000 0.982 515 Q CA 2.483 58.208 55.803 -0.131 0.000 0.838 515 Q CB -1.127 27.428 28.738 -0.306 0.000 0.899 515 Q HN 0.218 nan 8.270 nan 0.000 0.423 516 S N 0.564 116.243 115.700 -0.036 0.000 2.605 516 S HA 0.070 4.542 4.470 0.003 0.000 0.217 516 S C 0.406 175.126 174.600 0.201 0.000 0.958 516 S CA 0.158 58.382 58.200 0.039 0.000 0.919 516 S CB -0.478 62.753 63.200 0.052 0.000 0.780 516 S HN 0.762 nan 8.310 nan 0.000 0.507 517 N N 1.468 120.256 118.700 0.146 0.000 2.650 517 N HA -0.323 4.419 4.740 0.003 0.000 0.249 517 N C -0.270 175.327 175.510 0.146 0.000 1.155 517 N CA 2.014 55.159 53.050 0.158 0.000 0.747 517 N CB -2.017 36.617 38.487 0.245 0.000 1.132 517 N HN 0.899 nan 8.380 nan 0.000 0.564 518 K N -2.052 118.386 120.400 0.063 0.000 2.279 518 K HA 0.661 4.983 4.320 0.003 0.000 0.238 518 K C -3.040 173.433 176.600 -0.211 0.000 1.084 518 K CA -2.024 54.246 56.287 -0.029 0.000 0.885 518 K CB 2.101 34.662 32.500 0.102 0.000 1.319 518 K HN -0.069 nan 8.250 nan 0.000 0.494 519 P HA 0.065 nan 4.420 nan 0.000 0.274 519 P C 0.333 177.572 177.300 -0.102 0.000 1.246 519 P CA -0.473 62.510 63.100 -0.195 0.000 0.795 519 P CB 0.740 32.362 31.700 -0.131 0.000 1.006 520 C N 0.299 119.535 119.300 -0.106 0.000 2.976 520 C HA 0.596 5.058 4.460 0.003 0.000 0.274 520 C C 0.039 174.977 174.990 -0.087 0.000 1.487 520 C CA -0.534 58.423 59.018 -0.102 0.000 1.789 520 C CB -1.389 26.251 27.740 -0.167 0.000 2.771 520 C HN 0.357 nan 8.230 nan 0.000 0.551 521 M N 1.417 120.991 119.600 -0.043 0.000 2.206 521 M HA 0.503 4.985 4.480 0.003 0.000 0.272 521 M C 0.277 176.662 176.300 0.141 0.000 1.012 521 M CA 0.146 55.425 55.300 -0.036 0.000 0.986 521 M CB 1.962 34.437 32.600 -0.208 0.000 1.740 521 M HN 0.417 nan 8.290 nan 0.000 0.472 522 G N 3.194 112.083 108.800 0.149 0.000 3.099 522 G HA2 0.869 4.831 3.960 0.003 0.000 0.151 522 G HA3 0.869 4.831 3.960 0.003 0.000 0.151 522 G C -0.785 174.291 174.900 0.294 0.000 1.265 522 G CA -0.507 44.727 45.100 0.223 0.000 0.981 522 G HN 0.589 nan 8.290 nan 0.000 0.601 523 I N 0.721 121.384 120.570 0.155 0.000 2.478 523 I HA 0.388 4.560 4.170 0.003 0.000 0.287 523 I C -0.523 175.634 176.117 0.066 0.000 1.042 523 I CA -0.595 60.779 61.300 0.124 0.000 1.067 523 I CB 2.045 40.078 38.000 0.055 0.000 1.233 523 I HN 0.153 nan 8.210 nan 0.000 0.431 524 V N 4.313 124.268 119.914 0.069 0.000 3.182 524 V HA 0.555 4.677 4.120 0.003 0.000 0.311 524 V C 0.437 176.554 176.094 0.039 0.000 1.221 524 V CA -0.618 61.710 62.300 0.047 0.000 1.060 524 V CB 1.262 33.117 31.823 0.052 0.000 1.164 524 V HN 0.861 nan 8.190 nan 0.000 0.466 525 Q N -0.024 119.798 119.800 0.036 0.000 2.174 525 Q HA -0.348 3.994 4.340 0.003 0.000 0.427 525 Q C 1.248 177.257 176.000 0.016 0.000 0.692 525 Q CA 2.292 58.118 55.803 0.040 0.000 0.909 525 Q CB -1.555 27.223 28.738 0.066 0.000 3.026 525 Q HN 0.957 nan 8.270 nan 0.000 0.891 526 D N 0.378 120.794 120.400 0.026 0.000 2.087 526 D HA -0.097 4.545 4.640 0.003 0.000 0.192 526 D C 2.013 178.303 176.300 -0.016 0.000 0.993 526 D CA 2.302 56.306 54.000 0.006 0.000 0.828 526 D CB -0.735 40.075 40.800 0.016 0.000 0.968 526 D HN 0.556 nan 8.370 nan 0.000 0.448 527 T N 1.065 115.616 114.554 -0.004 0.000 2.737 527 T HA -0.182 4.170 4.350 0.003 0.000 0.269 527 T C 1.831 176.509 174.700 -0.037 0.000 1.040 527 T CA 0.900 62.991 62.100 -0.015 0.000 1.142 527 T CB -0.315 68.556 68.868 0.004 0.000 0.861 527 T HN 0.027 nan 8.240 nan 0.000 0.456 528 L N 0.780 121.984 121.223 -0.032 0.000 2.034 528 L HA 0.120 4.462 4.340 0.003 0.000 0.203 528 L C 2.731 179.547 176.870 -0.090 0.000 1.074 528 L CA 1.393 56.203 54.840 -0.051 0.000 0.748 528 L CB -1.364 40.679 42.059 -0.027 0.000 0.905 528 L HN 0.410 nan 8.230 nan 0.000 0.439 529 C N 0.243 119.478 119.300 -0.108 0.000 2.391 529 C HA -0.145 4.317 4.460 0.003 0.000 0.276 529 C C 2.717 177.568 174.990 -0.232 0.000 1.217 529 C CA 1.132 60.027 59.018 -0.205 0.000 1.766 529 C CB -1.684 25.885 27.740 -0.286 0.000 2.046 529 C HN 0.714 nan 8.230 nan 0.000 0.475 530 G N -0.151 108.560 108.800 -0.149 0.000 2.454 530 G HA2 -0.119 3.843 3.960 0.003 0.000 0.214 530 G HA3 -0.119 3.843 3.960 0.003 0.000 0.214 530 G C 1.581 176.387 174.900 -0.157 0.000 1.217 530 G CA 0.727 45.778 45.100 -0.082 0.000 0.799 530 G HN 0.606 nan 8.290 nan 0.000 0.538 531 I N 0.716 121.197 120.570 -0.147 0.000 2.231 531 I HA -0.367 3.805 4.170 0.003 0.000 0.251 531 I C 2.812 178.790 176.117 -0.232 0.000 1.076 531 I CA 2.190 63.373 61.300 -0.195 0.000 1.347 531 I CB -0.054 37.862 38.000 -0.141 0.000 1.038 531 I HN 0.261 nan 8.210 nan 0.000 0.429 532 R N 0.971 121.358 120.500 -0.189 0.000 2.070 532 R HA -0.215 4.127 4.340 0.003 0.000 0.232 532 R C 2.307 178.481 176.300 -0.209 0.000 1.138 532 R CA 1.953 57.948 56.100 -0.174 0.000 0.936 532 R CB -0.215 30.003 30.300 -0.136 0.000 0.839 532 R HN 0.357 nan 8.270 nan 0.000 0.429 533 K N 0.700 120.972 120.400 -0.213 0.000 1.987 533 K HA -0.209 4.113 4.320 0.003 0.000 0.216 533 K C 2.111 178.456 176.600 -0.426 0.000 1.051 533 K CA 1.645 57.813 56.287 -0.199 0.000 0.942 533 K CB -0.762 31.713 32.500 -0.042 0.000 0.722 533 K HN 0.174 nan 8.250 nan 0.000 0.444 534 L N 1.774 122.494 121.223 -0.838 0.000 2.369 534 L HA -0.218 4.124 4.340 0.003 0.000 0.220 534 L C 1.796 178.285 176.870 -0.635 0.000 1.119 534 L CA 1.877 55.983 54.840 -1.224 0.000 0.780 534 L CB -0.558 40.762 42.059 -1.232 0.000 0.906 534 L HN 0.185 nan 8.230 nan 0.000 0.442 535 T N -0.803 113.503 114.554 -0.412 0.000 3.039 535 T HA 0.207 4.559 4.350 0.003 0.000 0.250 535 T C 0.811 175.373 174.700 -0.231 0.000 1.052 535 T CA -0.386 61.544 62.100 -0.283 0.000 1.125 535 T CB -0.084 68.654 68.868 -0.216 0.000 0.908 535 T HN 0.138 nan 8.240 nan 0.000 0.473 536 L N 2.447 123.551 121.223 -0.198 0.000 2.714 536 L HA -0.106 4.236 4.340 0.003 0.000 0.301 536 L C 1.877 178.637 176.870 -0.184 0.000 1.248 536 L CA 0.202 54.957 54.840 -0.141 0.000 0.885 536 L CB 0.281 42.286 42.059 -0.091 0.000 1.143 536 L HN 0.226 nan 8.230 nan 0.000 0.500 537 R N 1.436 121.852 120.500 -0.139 0.000 2.103 537 R HA -0.194 4.148 4.340 0.003 0.000 0.242 537 R C 1.429 177.571 176.300 -0.264 0.000 1.142 537 R CA 1.722 57.715 56.100 -0.178 0.000 0.960 537 R CB -0.213 30.054 30.300 -0.055 0.000 0.858 537 R HN 0.699 nan 8.270 nan 0.000 0.439 538 D N 0.377 120.728 120.400 -0.083 0.000 2.354 538 D HA -0.074 4.568 4.640 0.003 0.000 0.216 538 D C -0.202 176.101 176.300 0.005 0.000 0.970 538 D CA 0.880 54.910 54.000 0.051 0.000 0.905 538 D CB 0.066 40.913 40.800 0.078 0.000 0.903 538 D HN 0.104 nan 8.370 nan 0.000 0.508 539 T N 0.719 115.132 114.554 -0.235 0.000 2.738 539 T HA 0.331 4.683 4.350 0.003 0.000 0.298 539 T C -0.309 174.157 174.700 -0.390 0.000 0.962 539 T CA -0.278 61.724 62.100 -0.164 0.000 0.972 539 T CB 0.237 69.007 68.868 -0.164 0.000 0.928 539 T HN -0.179 nan 8.240 nan 0.000 0.474 540 F N 2.758 122.794 119.950 0.144 0.000 2.577 540 F HA 0.733 5.262 4.527 0.003 0.000 0.318 540 F C -0.174 175.766 175.800 0.234 0.000 1.065 540 F CA -1.233 56.868 58.000 0.169 0.000 0.929 540 F CB 1.391 40.475 39.000 0.141 0.000 1.237 540 F HN 0.277 nan 8.300 nan 0.000 0.468 541 I N 0.759 121.603 120.570 0.458 0.000 2.785 541 I HA 0.396 4.568 4.170 0.003 0.000 0.302 541 I C -0.847 175.507 176.117 0.394 0.000 1.069 541 I CA -0.748 60.778 61.300 0.376 0.000 1.045 541 I CB 2.319 40.509 38.000 0.317 0.000 1.236 541 I HN 0.638 nan 8.210 nan 0.000 0.429 542 E N 3.967 124.329 120.200 0.272 0.000 2.299 542 E HA 0.459 4.811 4.350 0.003 0.000 0.265 542 E C 0.350 177.002 176.600 0.087 0.000 0.911 542 E CA -0.872 55.699 56.400 0.284 0.000 0.789 542 E CB 1.739 31.585 29.700 0.243 0.000 1.246 542 E HN 0.332 nan 8.360 nan 0.000 0.427 543 L N 2.180 123.463 121.223 0.099 0.000 2.352 543 L HA -0.448 3.894 4.340 0.003 0.000 0.247 543 L C 2.025 178.839 176.870 -0.093 0.000 1.123 543 L CA 3.143 57.951 54.840 -0.054 0.000 0.824 543 L CB -0.994 41.126 42.059 0.101 0.000 0.987 543 L HN 1.047 nan 8.230 nan 0.000 0.426 544 D N -1.382 119.010 120.400 -0.014 0.000 2.192 544 D HA -0.324 4.318 4.640 0.003 0.000 0.189 544 D C 1.867 178.161 176.300 -0.011 0.000 1.007 544 D CA 2.512 56.505 54.000 -0.012 0.000 0.859 544 D CB -0.732 40.074 40.800 0.009 0.000 0.936 544 D HN 0.767 nan 8.370 nan 0.000 0.447 545 Q N 0.221 120.034 119.800 0.022 0.000 1.990 545 Q HA -0.087 4.255 4.340 0.003 0.000 0.200 545 Q C 2.772 178.771 176.000 -0.003 0.000 0.980 545 Q CA 1.521 57.386 55.803 0.103 0.000 0.832 545 Q CB -0.042 28.796 28.738 0.166 0.000 0.897 545 Q HN 0.260 nan 8.270 nan 0.000 0.427 546 V N 1.735 121.563 119.914 -0.144 0.000 2.252 546 V HA -0.358 3.764 4.120 0.003 0.000 0.255 546 V C 2.339 178.214 176.094 -0.365 0.000 1.071 546 V CA 2.029 64.111 62.300 -0.364 0.000 1.050 546 V CB -0.941 30.367 31.823 -0.857 0.000 0.654 546 V HN 0.409 nan 8.190 nan 0.000 0.448 547 L N -0.039 120.996 121.223 -0.313 0.000 2.127 547 L HA -0.192 4.150 4.340 0.003 0.000 0.211 547 L C 2.519 179.236 176.870 -0.255 0.000 1.089 547 L CA 1.629 56.303 54.840 -0.277 0.000 0.757 547 L CB -0.784 41.180 42.059 -0.159 0.000 0.899 547 L HN 0.457 nan 8.230 nan 0.000 0.434 548 N N -0.074 118.525 118.700 -0.167 0.000 2.173 548 N HA -0.086 4.656 4.740 0.003 0.000 0.184 548 N C 1.965 177.339 175.510 -0.227 0.000 1.025 548 N CA 1.186 54.128 53.050 -0.180 0.000 0.852 548 N CB -0.121 38.293 38.487 -0.123 0.000 0.998 548 N HN 0.285 nan 8.380 nan 0.000 0.427 549 M N 0.799 120.295 119.600 -0.174 0.000 2.082 549 M HA -0.175 4.307 4.480 0.003 0.000 0.258 549 M C 2.141 178.309 176.300 -0.220 0.000 1.069 549 M CA 1.422 56.654 55.300 -0.113 0.000 1.102 549 M CB -0.538 32.055 32.600 -0.010 0.000 1.336 549 M HN 0.094 nan 8.290 nan 0.000 0.404 550 L N -1.369 119.572 121.223 -0.469 0.000 1.970 550 L HA -0.272 4.070 4.340 0.003 0.000 0.212 550 L C 2.646 179.060 176.870 -0.759 0.000 1.071 550 L CA 1.574 55.850 54.840 -0.940 0.000 0.751 550 L CB -1.054 40.010 42.059 -1.659 0.000 0.889 550 L HN 0.224 nan 8.230 nan 0.000 0.432 551 Y N -0.507 119.371 120.300 -0.702 0.000 2.151 551 Y HA -0.309 4.243 4.550 0.003 0.000 0.284 551 Y C 2.277 178.070 175.900 -0.179 0.000 1.166 551 Y CA 1.084 59.005 58.100 -0.297 0.000 1.163 551 Y CB -0.798 37.500 38.460 -0.270 0.000 0.974 551 Y HN 0.113 nan 8.280 nan 0.000 0.511 552 W N -0.009 121.097 121.300 -0.323 0.000 2.325 552 W HA -0.168 4.494 4.660 0.003 0.000 0.299 552 W C 0.665 177.037 176.519 -0.245 0.000 1.215 552 W CA 1.158 58.291 57.345 -0.354 0.000 1.244 552 W CB -0.334 28.891 29.460 -0.392 0.000 1.140 552 W HN -0.317 nan 8.180 nan 0.000 0.523 553 V N 3.695 123.656 119.914 0.077 0.000 2.421 553 V HA -0.065 4.057 4.120 0.003 0.000 0.271 553 V C -0.675 175.475 176.094 0.093 0.000 1.031 553 V CA -0.705 61.639 62.300 0.074 0.000 1.032 553 V CB 0.568 32.417 31.823 0.043 0.000 1.009 553 V HN -0.038 nan 8.190 nan 0.000 0.477 554 P HA -0.144 nan 4.420 nan 0.000 0.216 554 P C 0.607 177.972 177.300 0.108 0.000 1.150 554 P CA 1.220 64.350 63.100 0.051 0.000 0.837 554 P CB 0.409 32.133 31.700 0.039 0.000 0.786 555 D N -1.684 118.791 120.400 0.125 0.000 2.325 555 D HA -0.011 4.632 4.640 0.003 0.000 0.234 555 D C 0.389 176.806 176.300 0.194 0.000 1.122 555 D CA -0.218 53.856 54.000 0.124 0.000 0.850 555 D CB -0.512 40.341 40.800 0.089 0.000 0.921 555 D HN 0.178 nan 8.370 nan 0.000 0.513 556 W N 3.762 125.079 121.300 0.028 0.000 2.257 556 W HA -0.074 4.588 4.660 0.003 0.000 0.337 556 W C 1.079 177.621 176.519 0.038 0.000 1.321 556 W CA -0.630 56.739 57.345 0.039 0.000 1.267 556 W CB 0.547 30.044 29.460 0.062 0.000 1.187 556 W HN -0.001 nan 8.180 nan 0.000 0.565 557 D N 3.621 123.831 120.400 -0.316 0.000 2.325 557 D HA 0.041 4.683 4.640 0.003 0.000 0.234 557 D C 1.584 177.343 176.300 -0.903 0.000 1.122 557 D CA 0.475 54.221 54.000 -0.424 0.000 0.850 557 D CB -0.674 40.010 40.800 -0.194 0.000 0.921 557 D HN 0.761 nan 8.370 nan 0.000 0.513 558 G N 0.269 107.853 108.800 -2.026 0.000 2.256 558 G HA2 -0.308 3.654 3.960 0.003 0.000 0.279 558 G HA3 -0.308 3.654 3.960 0.003 0.000 0.279 558 G C 0.337 174.412 174.900 -1.374 0.000 0.998 558 G CA 0.589 44.183 45.100 -2.511 0.000 0.720 558 G HN 0.416 nan 8.290 nan 0.000 0.521 559 V N 2.245 121.695 119.914 -0.774 0.000 2.304 559 V HA 0.324 4.446 4.120 0.003 0.000 0.269 559 V C 1.099 177.343 176.094 0.251 0.000 1.036 559 V CA -0.812 61.401 62.300 -0.144 0.000 0.840 559 V CB 0.902 32.676 31.823 -0.082 0.000 1.036 559 V HN 0.332 nan 8.190 nan 0.000 0.466 560 I N 8.773 129.569 120.570 0.376 0.000 2.742 560 I HA 0.073 4.245 4.170 0.003 0.000 0.287 560 I C -1.434 174.903 176.117 0.367 0.000 1.186 560 I CA -0.727 60.846 61.300 0.454 0.000 1.417 560 I CB 0.477 38.692 38.000 0.357 0.000 1.377 560 I HN 0.429 nan 8.210 nan 0.000 0.556 561 P HA 0.142 nan 4.420 nan 0.000 0.282 561 P C -0.501 177.079 177.300 0.465 0.000 1.249 561 P CA -0.453 62.866 63.100 0.365 0.000 0.806 561 P CB 0.775 32.675 31.700 0.333 0.000 0.984 562 T N 4.641 119.337 114.554 0.236 0.000 2.902 562 T HA 0.134 4.486 4.350 0.003 0.000 0.301 562 T C -2.021 172.590 174.700 -0.149 0.000 1.012 562 T CA -0.210 61.935 62.100 0.075 0.000 1.151 562 T CB -0.739 68.141 68.868 0.020 0.000 0.946 562 T HN 0.371 nan 8.240 nan 0.000 0.542 563 P HA 0.086 nan 4.420 nan 0.000 0.267 563 P C 0.328 177.330 177.300 -0.496 0.000 1.201 563 P CA -0.125 62.221 63.100 -1.255 0.000 0.775 563 P CB 0.400 31.232 31.700 -1.446 0.000 0.854 564 A N 3.132 125.761 122.820 -0.317 0.000 2.014 564 A HA 0.002 4.324 4.320 0.003 0.000 0.218 564 A C 0.947 178.472 177.584 -0.099 0.000 1.163 564 A CA 1.231 53.217 52.037 -0.084 0.000 0.652 564 A CB -0.571 18.471 19.000 0.070 0.000 0.808 564 A HN 0.502 nan 8.150 nan 0.000 0.449 565 I N -0.819 119.642 120.570 -0.182 0.000 2.569 565 I HA 0.363 4.535 4.170 0.003 0.000 0.296 565 I C 0.094 176.073 176.117 -0.229 0.000 1.028 565 I CA -0.324 60.877 61.300 -0.165 0.000 1.082 565 I CB 2.112 40.021 38.000 -0.153 0.000 1.264 565 I HN 0.096 nan 8.210 nan 0.000 0.429 566 I N 3.916 124.390 120.570 -0.159 0.000 4.439 566 I HA 0.031 4.203 4.170 0.003 0.000 0.331 566 I C 1.151 177.211 176.117 -0.094 0.000 1.345 566 I CA -0.223 60.991 61.300 -0.143 0.000 1.193 566 I CB 0.128 38.058 38.000 -0.116 0.000 1.221 566 I HN 0.570 nan 8.210 nan 0.000 0.429 567 K N 3.116 123.464 120.400 -0.087 0.000 2.797 567 K HA 0.110 4.432 4.320 0.003 0.000 0.307 567 K C -1.220 175.346 176.600 -0.057 0.000 1.072 567 K CA -0.337 55.911 56.287 -0.065 0.000 0.981 567 K CB -1.471 30.990 32.500 -0.066 0.000 1.078 567 K HN -0.237 nan 8.250 nan 0.000 0.459 568 P HA -0.250 nan 4.420 nan 0.000 0.220 568 P C -0.466 176.815 177.300 -0.031 0.000 1.149 568 P CA 1.747 64.825 63.100 -0.037 0.000 0.829 568 P CB 0.073 31.750 31.700 -0.038 0.000 0.772 569 K N -0.980 119.393 120.400 -0.045 0.000 2.557 569 K HA 0.304 4.626 4.320 0.003 0.000 0.257 569 K C -3.075 173.493 176.600 -0.053 0.000 0.933 569 K CA -2.050 54.222 56.287 -0.025 0.000 0.820 569 K CB 2.631 35.121 32.500 -0.016 0.000 1.330 569 K HN -0.263 nan 8.250 nan 0.000 0.432 570 P HA 0.206 nan 4.420 nan 0.000 0.283 570 P C -1.146 176.083 177.300 -0.119 0.000 1.412 570 P CA -0.512 62.490 63.100 -0.163 0.000 0.912 570 P CB 0.480 32.093 31.700 -0.144 0.000 1.132 571 L N 4.355 125.495 121.223 -0.138 0.000 2.334 571 L HA 0.526 4.868 4.340 0.003 0.000 0.276 571 L C 0.293 177.238 176.870 0.125 0.000 1.014 571 L CA -0.457 54.462 54.840 0.131 0.000 0.815 571 L CB 1.033 43.130 42.059 0.063 0.000 1.268 571 L HN 0.370 nan 8.230 nan 0.000 0.428 572 W N 0.920 122.346 121.300 0.210 0.000 2.578 572 W HA 0.569 5.232 4.660 0.004 0.000 0.353 572 W C 0.362 177.028 176.519 0.245 0.000 1.088 572 W CA -0.652 56.808 57.345 0.192 0.000 1.235 572 W CB 2.157 31.690 29.460 0.123 0.000 1.362 572 W HN 0.576 nan 8.180 nan 0.000 0.592 573 S N -0.243 115.654 115.700 0.328 0.000 2.730 573 S HA 0.530 5.002 4.470 0.003 0.000 0.284 573 S C 0.896 175.488 174.600 -0.013 0.000 1.153 573 S CA -0.032 58.168 58.200 0.000 0.000 0.995 573 S CB 1.374 64.498 63.200 -0.126 0.000 1.058 573 S HN 0.589 nan 8.310 nan 0.000 0.552 574 G N 0.797 109.490 108.800 -0.177 0.000 2.434 574 G HA2 -0.135 3.827 3.960 0.003 0.000 0.214 574 G HA3 -0.135 3.827 3.960 0.003 0.000 0.214 574 G C 1.220 176.030 174.900 -0.151 0.000 1.202 574 G CA 0.704 45.674 45.100 -0.216 0.000 0.788 574 G HN 0.782 nan 8.290 nan 0.000 0.539 575 K N 0.181 120.493 120.400 -0.146 0.000 2.052 575 K HA -0.245 4.077 4.320 0.003 0.000 0.215 575 K C 2.647 179.224 176.600 -0.039 0.000 1.053 575 K CA 1.782 58.010 56.287 -0.099 0.000 0.934 575 K CB -0.333 32.117 32.500 -0.083 0.000 0.717 575 K HN 0.327 nan 8.250 nan 0.000 0.450 576 Q N 0.344 120.153 119.800 0.016 0.000 2.028 576 Q HA -0.254 4.088 4.340 0.003 0.000 0.213 576 Q C 2.358 178.409 176.000 0.084 0.000 1.017 576 Q CA 2.484 58.348 55.803 0.101 0.000 0.875 576 Q CB -0.505 28.372 28.738 0.231 0.000 0.962 576 Q HN 0.599 nan 8.270 nan 0.000 0.413 577 I N -1.941 118.659 120.570 0.050 0.000 2.286 577 I HA -0.174 3.998 4.170 0.003 0.000 0.245 577 I C 2.385 178.480 176.117 -0.036 0.000 1.104 577 I CA 0.806 62.102 61.300 -0.007 0.000 1.397 577 I CB -0.527 37.444 38.000 -0.048 0.000 1.072 577 I HN 0.111 nan 8.210 nan 0.000 0.417 578 L N 2.084 123.268 121.223 -0.064 0.000 2.051 578 L HA -0.222 4.120 4.340 0.003 0.000 0.214 578 L C 2.515 179.352 176.870 -0.055 0.000 1.076 578 L CA 2.139 56.930 54.840 -0.080 0.000 0.758 578 L CB -0.968 41.019 42.059 -0.119 0.000 0.890 578 L HN 0.279 nan 8.230 nan 0.000 0.433 579 S N -1.207 114.470 115.700 -0.038 0.000 2.462 579 S HA -0.167 4.305 4.470 0.003 0.000 0.243 579 S C 1.906 176.508 174.600 0.002 0.000 1.003 579 S CA 1.185 59.371 58.200 -0.022 0.000 0.970 579 S CB -0.556 62.644 63.200 -0.001 0.000 0.762 579 S HN 0.418 nan 8.310 nan 0.000 0.510 580 V N 1.500 121.422 119.914 0.014 0.000 2.453 580 V HA -0.145 3.978 4.120 0.003 0.000 0.247 580 V C 2.607 178.722 176.094 0.035 0.000 1.048 580 V CA 1.482 63.813 62.300 0.051 0.000 1.049 580 V CB -1.222 30.623 31.823 0.038 0.000 0.672 580 V HN 0.550 nan 8.190 nan 0.000 0.457 581 A N 0.195 123.012 122.820 -0.005 0.000 1.877 581 A HA -0.045 4.277 4.320 0.003 0.000 0.216 581 A C 1.258 178.827 177.584 -0.026 0.000 1.186 581 A CA 0.914 52.941 52.037 -0.016 0.000 0.620 581 A CB -0.558 18.414 19.000 -0.047 0.000 0.822 581 A HN 0.506 nan 8.150 nan 0.000 0.443 582 I N 2.380 122.924 120.570 -0.043 0.000 2.668 582 I HA 0.072 4.244 4.170 0.003 0.000 0.285 582 I C -1.759 174.338 176.117 -0.034 0.000 1.168 582 I CA -1.550 59.716 61.300 -0.057 0.000 1.424 582 I CB 0.515 38.471 38.000 -0.073 0.000 1.377 582 I HN 0.254 nan 8.210 nan 0.000 0.560 583 P HA 0.107 nan 4.420 nan 0.000 0.277 583 P C -0.952 176.323 177.300 -0.041 0.000 1.276 583 P CA -0.519 62.569 63.100 -0.020 0.000 0.788 583 P CB 0.583 32.275 31.700 -0.014 0.000 1.114 584 N N -1.102 117.580 118.700 -0.030 0.000 2.483 584 N HA 0.280 5.022 4.740 0.003 0.000 0.269 584 N C 1.327 176.791 175.510 -0.076 0.000 1.209 584 N CA 0.667 53.688 53.050 -0.049 0.000 0.969 584 N CB -0.031 38.445 38.487 -0.017 0.000 1.173 584 N HN 0.803 nan 8.380 nan 0.000 0.475 585 G N -0.178 108.542 108.800 -0.134 0.000 2.159 585 G HA2 -0.217 3.745 3.960 0.003 0.000 0.256 585 G HA3 -0.217 3.745 3.960 0.003 0.000 0.256 585 G C -0.135 174.572 174.900 -0.322 0.000 0.977 585 G CA -0.228 44.792 45.100 -0.133 0.000 0.652 585 G HN 0.463 nan 8.290 nan 0.000 0.531 586 I N 2.163 122.489 120.570 -0.407 0.000 2.331 586 I HA 0.438 4.611 4.170 0.003 0.000 0.292 586 I C 0.278 176.070 176.117 -0.543 0.000 0.998 586 I CA -0.591 60.517 61.300 -0.320 0.000 1.267 586 I CB 0.797 38.698 38.000 -0.165 0.000 1.386 586 I HN 0.117 nan 8.210 nan 0.000 0.476 587 H N 6.310 125.376 119.070 -0.007 0.000 2.622 587 H HA 0.669 5.227 4.556 0.004 0.000 0.363 587 H C -1.154 174.156 175.328 -0.031 0.000 1.151 587 H CA -0.912 55.128 56.048 -0.014 0.000 1.184 587 H CB 3.244 33.010 29.762 0.006 0.000 1.643 587 H HN 0.335 nan 8.280 nan 0.000 0.531 588 L N 2.032 123.285 121.223 0.051 0.000 2.737 588 L HA 0.183 4.525 4.340 0.003 0.000 0.261 588 L C -1.212 175.623 176.870 -0.059 0.000 0.949 588 L CA -0.097 54.736 54.840 -0.012 0.000 0.952 588 L CB 1.823 43.846 42.059 -0.059 0.000 1.337 588 L HN 0.618 nan 8.230 nan 0.000 0.430 589 Q N 3.030 122.823 119.800 -0.012 0.000 2.226 589 Q HA 0.590 4.932 4.340 0.003 0.000 0.256 589 Q C -0.246 175.758 176.000 0.007 0.000 0.962 589 Q CA -0.432 55.371 55.803 -0.000 0.000 0.887 589 Q CB 2.994 31.833 28.738 0.169 0.000 1.282 589 Q HN 0.744 nan 8.270 nan 0.000 0.449 590 R N 0.982 121.451 120.500 -0.051 0.000 3.319 590 R HA 0.274 4.616 4.340 0.003 0.000 0.126 590 R C -0.990 175.448 176.300 0.230 0.000 1.797 590 R CA 0.039 56.145 56.100 0.010 0.000 1.391 590 R CB 0.748 30.972 30.300 -0.127 0.000 1.312 590 R HN 0.576 nan 8.270 nan 0.000 0.455 591 F N 1.996 121.977 119.950 0.051 0.000 2.160 591 F HA -0.180 4.350 4.527 0.003 0.000 0.500 591 F C -0.625 175.198 175.800 0.037 0.000 1.264 591 F CA 0.303 58.349 58.000 0.076 0.000 1.610 591 F CB -0.714 38.323 39.000 0.062 0.000 2.559 591 F HN 0.353 nan 8.300 nan 0.000 0.729 592 D N 2.310 122.800 120.400 0.149 0.000 2.530 592 D HA 0.221 4.863 4.640 0.003 0.000 0.282 592 D C 1.419 177.780 176.300 0.102 0.000 1.204 592 D CA -0.322 53.734 54.000 0.092 0.000 1.093 592 D CB 0.350 41.178 40.800 0.047 0.000 1.154 592 D HN 0.584 nan 8.370 nan 0.000 0.593 593 E N 0.197 120.433 120.200 0.060 0.000 2.045 593 E HA -0.181 4.171 4.350 0.003 0.000 0.212 593 E C 1.351 177.990 176.600 0.064 0.000 1.039 593 E CA 1.491 57.922 56.400 0.050 0.000 0.860 593 E CB -0.285 29.431 29.700 0.027 0.000 0.776 593 E HN 0.488 nan 8.360 nan 0.000 0.467 594 G N 0.978 109.811 108.800 0.055 0.000 3.518 594 G HA2 0.063 4.026 3.960 0.003 0.000 0.273 594 G HA3 0.063 4.026 3.960 0.003 0.000 0.273 594 G C -0.047 174.894 174.900 0.069 0.000 1.199 594 G CA -0.212 44.920 45.100 0.053 0.000 0.899 594 G HN 0.042 nan 8.290 nan 0.000 0.533 595 T N 0.975 115.607 114.554 0.130 0.000 2.856 595 T HA 0.423 4.775 4.350 0.003 0.000 0.306 595 T C 0.506 175.322 174.700 0.194 0.000 1.062 595 T CA 0.454 62.640 62.100 0.144 0.000 1.083 595 T CB 0.973 69.970 68.868 0.215 0.000 0.984 595 T HN 0.206 nan 8.240 nan 0.000 0.542 596 T N 0.443 115.041 114.554 0.073 0.000 4.024 596 T HA 0.185 4.537 4.350 0.003 0.000 0.193 596 T C 0.168 174.827 174.700 -0.069 0.000 0.697 596 T CA -0.970 61.186 62.100 0.093 0.000 1.393 596 T CB -1.003 67.880 68.868 0.025 0.000 0.962 596 T HN 0.543 nan 8.240 nan 0.000 0.583 597 L N 1.046 122.211 121.223 -0.097 0.000 4.356 597 L HA -0.190 4.153 4.340 0.003 0.000 0.506 597 L C 0.879 177.541 176.870 -0.347 0.000 1.022 597 L CA 0.949 55.633 54.840 -0.259 0.000 0.782 597 L CB -1.228 40.853 42.059 0.038 0.000 1.782 597 L HN 0.761 nan 8.230 nan 0.000 0.853 598 L N -1.418 119.500 121.223 -0.508 0.000 5.473 598 L HA -0.021 4.321 4.340 0.003 0.000 0.554 598 L C 0.816 177.493 176.870 -0.321 0.000 0.724 598 L CA 0.447 55.090 54.840 -0.329 0.000 2.268 598 L CB 0.141 42.103 42.059 -0.161 0.000 1.746 598 L HN 0.375 nan 8.230 nan 0.000 0.567 599 S N 1.182 116.600 115.700 -0.469 0.000 3.649 599 S HA -0.106 4.366 4.470 0.003 0.000 0.266 599 S C -0.990 173.525 174.600 -0.142 0.000 0.483 599 S CA -0.011 58.022 58.200 -0.278 0.000 1.677 599 S CB -0.841 62.186 63.200 -0.288 0.000 1.239 599 S HN 0.402 nan 8.310 nan 0.000 0.425 600 P HA -0.172 nan 4.420 nan 0.000 0.219 600 P C 0.518 177.800 177.300 -0.029 0.000 1.144 600 P CA 1.296 64.365 63.100 -0.051 0.000 0.806 600 P CB 0.042 31.721 31.700 -0.035 0.000 0.771 601 K N -0.527 119.859 120.400 -0.024 0.000 2.437 601 K HA 0.064 4.386 4.320 0.003 0.000 0.205 601 K C 0.113 176.713 176.600 0.001 0.000 1.026 601 K CA -0.251 56.032 56.287 -0.006 0.000 1.153 601 K CB -0.295 32.206 32.500 0.002 0.000 0.863 601 K HN -0.124 nan 8.250 nan 0.000 0.502 602 D N 1.730 122.129 120.400 -0.002 0.000 2.697 602 D HA -0.178 4.464 4.640 0.003 0.000 0.235 602 D C -0.648 175.686 176.300 0.055 0.000 1.167 602 D CA 0.564 54.583 54.000 0.031 0.000 0.656 602 D CB -1.019 39.786 40.800 0.007 0.000 1.025 602 D HN 0.190 nan 8.370 nan 0.000 0.419 603 N N -0.468 118.276 118.700 0.074 0.000 2.538 603 N HA 0.695 5.437 4.740 0.003 0.000 0.292 603 N C 1.263 176.851 175.510 0.130 0.000 1.262 603 N CA 0.591 53.685 53.050 0.073 0.000 0.976 603 N CB 0.387 38.903 38.487 0.049 0.000 1.161 603 N HN 0.388 nan 8.380 nan 0.000 0.598 604 G N 0.111 108.938 108.800 0.046 0.000 2.564 604 G HA2 -0.234 3.728 3.960 0.003 0.000 0.309 604 G HA3 -0.234 3.728 3.960 0.003 0.000 0.309 604 G C -0.316 174.475 174.900 -0.182 0.000 1.320 604 G CA 1.084 46.157 45.100 -0.045 0.000 0.941 604 G HN 0.691 nan 8.290 nan 0.000 0.543 605 M N -1.812 117.517 119.600 -0.453 0.000 2.490 605 M HA 0.721 5.203 4.480 0.003 0.000 0.286 605 M C -2.055 173.696 176.300 -0.915 0.000 1.185 605 M CA -0.666 54.260 55.300 -0.623 0.000 0.912 605 M CB 2.008 34.415 32.600 -0.321 0.000 1.744 605 M HN 1.422 nan 8.290 nan 0.000 0.494 606 L N 5.617 126.248 121.223 -0.986 0.000 2.555 606 L HA 0.712 5.054 4.340 0.003 0.000 0.264 606 L C -2.163 174.496 176.870 -0.352 0.000 0.972 606 L CA -0.000 54.417 54.840 -0.704 0.000 0.876 606 L CB 1.319 42.811 42.059 -0.945 0.000 1.216 606 L HN 0.745 nan 8.230 nan 0.000 0.415 607 I N 6.102 126.555 120.570 -0.195 0.000 2.389 607 I HA 0.516 4.688 4.170 0.003 0.000 0.288 607 I C -0.620 175.475 176.117 -0.035 0.000 0.999 607 I CA -0.477 60.752 61.300 -0.118 0.000 1.129 607 I CB 1.680 39.604 38.000 -0.126 0.000 1.288 607 I HN 0.474 nan 8.210 nan 0.000 0.444 608 I N 4.934 125.500 120.570 -0.007 0.000 2.608 608 I HA 0.270 4.442 4.170 0.003 0.000 0.295 608 I C -0.052 176.057 176.117 -0.013 0.000 1.049 608 I CA -0.569 60.786 61.300 0.092 0.000 1.063 608 I CB 1.856 39.950 38.000 0.157 0.000 1.248 608 I HN 0.585 nan 8.210 nan 0.000 0.424 609 D N 4.656 124.995 120.400 -0.102 0.000 2.701 609 D HA -0.196 4.446 4.640 0.003 0.000 0.235 609 D C 1.025 177.255 176.300 -0.117 0.000 1.155 609 D CA 1.535 55.478 54.000 -0.096 0.000 0.649 609 D CB -0.814 40.018 40.800 0.052 0.000 1.050 609 D HN 1.139 nan 8.370 nan 0.000 0.425 610 G N -0.243 108.439 108.800 -0.197 0.000 2.283 610 G HA2 -0.312 3.650 3.960 0.003 0.000 0.280 610 G HA3 -0.312 3.650 3.960 0.003 0.000 0.280 610 G C -0.112 174.750 174.900 -0.063 0.000 1.029 610 G CA 0.627 45.654 45.100 -0.122 0.000 0.840 610 G HN 0.521 nan 8.290 nan 0.000 0.505 611 Q N -0.684 119.084 119.800 -0.054 0.000 2.292 611 Q HA 0.426 4.768 4.340 0.003 0.000 0.270 611 Q C -0.071 175.906 176.000 -0.039 0.000 1.024 611 Q CA -0.777 55.012 55.803 -0.022 0.000 0.768 611 Q CB 1.926 30.671 28.738 0.011 0.000 1.250 611 Q HN 0.471 nan 8.270 nan 0.000 0.447 612 I N 4.726 125.267 120.570 -0.049 0.000 2.421 612 I HA 0.038 4.211 4.170 0.003 0.000 0.291 612 I C 0.846 176.933 176.117 -0.049 0.000 1.089 612 I CA 0.243 61.495 61.300 -0.079 0.000 1.354 612 I CB 0.370 38.315 38.000 -0.093 0.000 1.413 612 I HN 0.712 nan 8.210 nan 0.000 0.513 613 I N 8.070 128.606 120.570 -0.058 0.000 2.494 613 I HA 0.014 4.186 4.170 0.003 0.000 0.250 613 I C 0.049 176.237 176.117 0.118 0.000 1.112 613 I CA 0.615 61.933 61.300 0.029 0.000 1.438 613 I CB -0.052 37.989 38.000 0.068 0.000 1.111 613 I HN 0.546 nan 8.210 nan 0.000 0.431 614 F N 0.096 120.005 119.950 -0.068 0.000 2.688 614 F HA 0.719 5.248 4.527 0.004 0.000 0.308 614 F C -0.630 175.104 175.800 -0.110 0.000 1.117 614 F CA -0.988 56.961 58.000 -0.085 0.000 0.976 614 F CB 0.758 39.706 39.000 -0.086 0.000 1.291 614 F HN 0.005 nan 8.300 nan 0.000 0.439 615 G N 1.566 110.465 108.800 0.166 0.000 2.885 615 G HA2 0.306 4.268 3.960 0.003 0.000 0.685 615 G HA3 0.306 4.268 3.960 0.003 0.000 0.685 615 G C -1.638 173.232 174.900 -0.050 0.000 1.216 615 G CA -0.649 44.474 45.100 0.039 0.000 0.790 615 G HN 1.172 nan 8.290 nan 0.000 0.631 616 V N 1.584 121.472 119.914 -0.043 0.000 2.811 616 V HA 0.367 4.489 4.120 0.003 0.000 0.302 616 V C 1.147 177.183 176.094 -0.097 0.000 1.063 616 V CA -0.417 61.836 62.300 -0.078 0.000 1.088 616 V CB 1.619 33.403 31.823 -0.065 0.000 0.982 616 V HN 0.831 nan 8.190 nan 0.000 0.485 617 V N 5.365 125.208 119.914 -0.119 0.000 2.364 617 V HA 0.473 4.595 4.120 0.003 0.000 0.272 617 V C 0.065 176.094 176.094 -0.108 0.000 1.036 617 V CA -0.104 62.124 62.300 -0.120 0.000 0.880 617 V CB 0.877 32.618 31.823 -0.136 0.000 0.991 617 V HN 1.174 nan 8.190 nan 0.000 0.460 618 E N 3.235 123.382 120.200 -0.088 0.000 2.350 618 E HA 0.438 4.790 4.350 0.003 0.000 0.243 618 E C 0.782 177.347 176.600 -0.057 0.000 0.959 618 E CA -0.863 55.493 56.400 -0.073 0.000 0.883 618 E CB 0.534 30.197 29.700 -0.062 0.000 1.820 618 E HN 0.022 nan 8.360 nan 0.000 0.441 619 K N 0.208 120.584 120.400 -0.041 0.000 2.077 619 K HA -0.263 4.059 4.320 0.003 0.000 0.213 619 K C 1.640 178.225 176.600 -0.024 0.000 1.051 619 K CA 2.360 58.632 56.287 -0.026 0.000 0.929 619 K CB -0.253 32.238 32.500 -0.014 0.000 0.715 619 K HN 0.374 nan 8.250 nan 0.000 0.451 620 K N -0.660 119.724 120.400 -0.028 0.000 2.103 620 K HA -0.120 4.202 4.320 0.003 0.000 0.207 620 K C 2.093 178.671 176.600 -0.037 0.000 1.048 620 K CA 1.946 58.217 56.287 -0.027 0.000 0.930 620 K CB -0.097 32.386 32.500 -0.028 0.000 0.716 620 K HN 0.222 nan 8.250 nan 0.000 0.444 621 T N -0.032 114.489 114.554 -0.055 0.000 2.814 621 T HA -0.046 4.306 4.350 0.003 0.000 0.254 621 T C 1.796 176.455 174.700 -0.067 0.000 1.037 621 T CA 0.849 62.906 62.100 -0.071 0.000 1.143 621 T CB 0.059 68.869 68.868 -0.097 0.000 0.866 621 T HN 0.008 nan 8.240 nan 0.000 0.431 622 V N 1.071 120.944 119.914 -0.067 0.000 3.578 622 V HA 0.428 4.550 4.120 0.003 0.000 0.290 622 V C 1.339 177.412 176.094 -0.035 0.000 1.376 622 V CA 0.136 62.392 62.300 -0.074 0.000 1.083 622 V CB -0.550 31.216 31.823 -0.095 0.000 0.911 622 V HN 0.493 nan 8.190 nan 0.000 0.433 623 G N 0.559 109.349 108.800 -0.017 0.000 2.527 623 G HA2 0.118 4.080 3.960 0.003 0.000 0.279 623 G HA3 0.118 4.080 3.960 0.003 0.000 0.279 623 G C 0.615 175.533 174.900 0.030 0.000 1.374 623 G CA 0.429 45.535 45.100 0.010 0.000 1.053 623 G HN 0.745 nan 8.290 nan 0.000 0.539 624 S N -0.873 114.851 115.700 0.040 0.000 2.577 624 S HA 0.414 4.886 4.470 0.003 0.000 0.239 624 S C 0.648 175.272 174.600 0.040 0.000 1.236 624 S CA 0.077 58.305 58.200 0.048 0.000 1.233 624 S CB -0.438 62.786 63.200 0.041 0.000 0.908 624 S HN 0.872 nan 8.310 nan 0.000 0.493 625 S N 0.896 116.621 115.700 0.042 0.000 2.686 625 S HA 0.363 4.835 4.470 0.003 0.000 0.270 625 S C 1.083 175.741 174.600 0.096 0.000 1.194 625 S CA -0.769 57.459 58.200 0.048 0.000 0.990 625 S CB 0.474 63.688 63.200 0.024 0.000 1.029 625 S HN 0.368 nan 8.310 nan 0.000 0.560 626 N N 0.985 119.743 118.700 0.096 0.000 2.028 626 N HA -0.090 4.652 4.740 0.003 0.000 0.194 626 N C 1.907 177.477 175.510 0.100 0.000 1.050 626 N CA 1.736 54.883 53.050 0.161 0.000 0.848 626 N CB -1.157 37.358 38.487 0.046 0.000 1.038 626 N HN 0.828 nan 8.380 nan 0.000 0.423 627 G N 0.091 108.895 108.800 0.006 0.000 2.432 627 G HA2 -0.060 3.902 3.960 0.003 0.000 0.219 627 G HA3 -0.060 3.902 3.960 0.003 0.000 0.219 627 G C 0.758 175.658 174.900 -0.000 0.000 1.135 627 G CA 0.714 45.792 45.100 -0.036 0.000 0.767 627 G HN 0.552 nan 8.290 nan 0.000 0.550 628 G N 0.048 108.868 108.800 0.032 0.000 2.884 628 G HA2 -0.162 3.800 3.960 0.003 0.000 0.247 628 G HA3 -0.162 3.800 3.960 0.003 0.000 0.247 628 G C 0.971 175.880 174.900 0.016 0.000 0.585 628 G CA 0.013 45.130 45.100 0.028 0.000 1.101 628 G HN 0.321 nan 8.290 nan 0.000 0.283 629 L N 2.200 123.403 121.223 -0.034 0.000 2.261 629 L HA -0.086 4.256 4.340 0.003 0.000 0.216 629 L C 2.431 179.267 176.870 -0.056 0.000 1.114 629 L CA 1.567 56.371 54.840 -0.061 0.000 0.777 629 L CB -0.339 41.658 42.059 -0.104 0.000 0.910 629 L HN 0.722 nan 8.230 nan 0.000 0.440 630 I N -1.555 118.991 120.570 -0.040 0.000 2.339 630 I HA -0.232 3.940 4.170 0.003 0.000 0.245 630 I C 2.520 178.678 176.117 0.068 0.000 1.096 630 I CA 0.413 61.695 61.300 -0.030 0.000 1.408 630 I CB -0.552 37.443 38.000 -0.008 0.000 1.092 630 I HN 0.255 nan 8.210 nan 0.000 0.423 631 H N 1.207 120.274 119.070 -0.004 0.000 2.319 631 H HA -0.134 4.424 4.556 0.004 0.000 0.299 631 H C 2.260 177.589 175.328 0.002 0.000 1.092 631 H CA 1.835 57.886 56.048 0.004 0.000 1.302 631 H CB -0.107 29.656 29.762 0.001 0.000 1.373 631 H HN 0.061 nan 8.280 nan 0.000 0.497 632 V N -0.065 119.941 119.914 0.153 0.000 2.307 632 V HA -0.186 3.936 4.120 0.003 0.000 0.245 632 V C 2.867 178.998 176.094 0.062 0.000 1.045 632 V CA 1.443 63.786 62.300 0.071 0.000 1.024 632 V CB -0.549 31.286 31.823 0.020 0.000 0.651 632 V HN 0.225 nan 8.190 nan 0.000 0.449 633 V N -0.061 119.873 119.914 0.033 0.000 2.759 633 V HA -0.203 3.919 4.120 0.003 0.000 0.256 633 V C 2.435 178.553 176.094 0.040 0.000 1.080 633 V CA 2.290 64.598 62.300 0.013 0.000 1.101 633 V CB -0.704 31.098 31.823 -0.036 0.000 0.698 633 V HN 0.644 nan 8.190 nan 0.000 0.477 634 T N -0.753 113.839 114.554 0.065 0.000 2.809 634 T HA -0.080 4.272 4.350 0.003 0.000 0.260 634 T C 2.156 176.902 174.700 0.076 0.000 1.039 634 T CA 0.738 62.878 62.100 0.067 0.000 1.141 634 T CB -0.181 68.717 68.868 0.050 0.000 0.869 634 T HN 0.228 nan 8.240 nan 0.000 0.437 635 R N 0.891 121.455 120.500 0.107 0.000 2.096 635 R HA 0.016 4.358 4.340 0.003 0.000 0.235 635 R C 2.292 178.647 176.300 0.091 0.000 1.127 635 R CA 1.246 57.414 56.100 0.115 0.000 0.968 635 R CB -0.306 30.079 30.300 0.142 0.000 0.861 635 R HN 0.408 nan 8.270 nan 0.000 0.440 636 E N 0.138 120.385 120.200 0.079 0.000 2.057 636 E HA -0.009 4.343 4.350 0.003 0.000 0.190 636 E C 1.486 178.126 176.600 0.067 0.000 0.969 636 E CA 0.934 57.379 56.400 0.075 0.000 0.812 636 E CB 0.259 30.002 29.700 0.072 0.000 0.777 636 E HN -0.087 nan 8.360 nan 0.000 0.455 637 K N -0.558 119.874 120.400 0.052 0.000 2.356 637 K HA 0.291 4.613 4.320 0.003 0.000 0.195 637 K C 0.220 176.848 176.600 0.047 0.000 1.037 637 K CA 0.755 57.069 56.287 0.045 0.000 1.014 637 K CB 1.115 33.632 32.500 0.029 0.000 0.815 637 K HN 0.217 nan 8.250 nan 0.000 0.507 638 G N 1.641 110.472 108.800 0.052 0.000 2.525 638 G HA2 -0.111 3.851 3.960 0.003 0.000 0.685 638 G HA3 -0.111 3.851 3.960 0.003 0.000 0.685 638 G C -2.383 172.548 174.900 0.050 0.000 1.285 638 G CA -0.509 44.621 45.100 0.051 0.000 0.849 638 G HN -0.212 nan 8.290 nan 0.000 0.653 639 P HA -0.227 nan 4.420 nan 0.000 0.214 639 P C 1.567 178.899 177.300 0.054 0.000 1.163 639 P CA 1.940 65.064 63.100 0.041 0.000 0.889 639 P CB 0.046 31.758 31.700 0.019 0.000 0.790 640 Q N -0.319 119.508 119.800 0.045 0.000 2.030 640 Q HA -0.109 4.233 4.340 0.003 0.000 0.204 640 Q C 2.462 178.500 176.000 0.064 0.000 0.986 640 Q CA 1.574 57.407 55.803 0.051 0.000 0.843 640 Q CB -0.946 27.815 28.738 0.038 0.000 0.904 640 Q HN 0.083 nan 8.270 nan 0.000 0.420 641 V N 0.666 120.613 119.914 0.054 0.000 2.324 641 V HA -0.335 3.787 4.120 0.003 0.000 0.250 641 V C 2.393 178.523 176.094 0.061 0.000 1.060 641 V CA 1.793 64.123 62.300 0.050 0.000 1.042 641 V CB -0.624 31.221 31.823 0.037 0.000 0.650 641 V HN 0.612 nan 8.190 nan 0.000 0.450 642 C N -0.012 119.333 119.300 0.075 0.000 2.446 642 C HA 0.091 4.553 4.460 0.003 0.000 0.279 642 C C 2.986 178.118 174.990 0.237 0.000 1.366 642 C CA 0.367 59.444 59.018 0.099 0.000 1.763 642 C CB -1.284 26.520 27.740 0.106 0.000 1.929 642 C HN 0.583 nan 8.230 nan 0.000 0.509 643 A N 0.535 123.481 122.820 0.210 0.000 1.858 643 A HA -0.181 4.141 4.320 0.003 0.000 0.216 643 A C 2.279 180.041 177.584 0.297 0.000 1.190 643 A CA 1.868 54.056 52.037 0.252 0.000 0.617 643 A CB -0.691 18.376 19.000 0.112 0.000 0.827 643 A HN 0.701 nan 8.150 nan 0.000 0.443 644 K N -0.972 119.529 120.400 0.168 0.000 2.063 644 K HA -0.174 4.148 4.320 0.003 0.000 0.208 644 K C 1.883 178.552 176.600 0.115 0.000 1.048 644 K CA 1.413 57.777 56.287 0.128 0.000 0.928 644 K CB -0.424 32.124 32.500 0.079 0.000 0.713 644 K HN 0.369 nan 8.250 nan 0.000 0.442 645 L N 0.958 122.215 121.223 0.056 0.000 2.085 645 L HA -0.250 4.092 4.340 0.003 0.000 0.218 645 L C 1.713 178.504 176.870 -0.132 0.000 1.080 645 L CA 1.805 56.595 54.840 -0.084 0.000 0.776 645 L CB -0.654 41.279 42.059 -0.211 0.000 0.891 645 L HN 0.089 nan 8.230 nan 0.000 0.437 646 F N -0.292 119.661 119.950 0.004 0.000 2.026 646 F HA -0.096 4.433 4.527 0.004 0.000 0.296 646 F C 2.564 178.364 175.800 0.001 0.000 1.133 646 F CA 1.824 59.826 58.000 0.003 0.000 1.188 646 F CB -1.507 37.501 39.000 0.013 0.000 0.968 646 F HN 0.177 nan 8.300 nan 0.000 0.476 647 G N -0.069 108.860 108.800 0.216 0.000 2.491 647 G HA2 -0.323 3.639 3.960 0.003 0.000 0.218 647 G HA3 -0.323 3.639 3.960 0.003 0.000 0.218 647 G C 1.601 176.534 174.900 0.055 0.000 1.180 647 G CA 1.365 46.534 45.100 0.114 0.000 0.774 647 G HN 0.240 nan 8.290 nan 0.000 0.562 648 N N 0.943 119.671 118.700 0.046 0.000 2.005 648 N HA -0.132 4.610 4.740 0.003 0.000 0.199 648 N C 2.273 177.772 175.510 -0.019 0.000 1.054 648 N CA 1.405 54.466 53.050 0.018 0.000 0.864 648 N CB -0.706 37.789 38.487 0.014 0.000 1.063 648 N HN 0.360 nan 8.380 nan 0.000 0.428 649 I N 1.405 121.949 120.570 -0.044 0.000 2.181 649 I HA -0.378 3.794 4.170 0.003 0.000 0.247 649 I C 2.327 178.412 176.117 -0.053 0.000 1.081 649 I CA 1.479 62.738 61.300 -0.069 0.000 1.340 649 I CB -0.443 37.489 38.000 -0.113 0.000 1.036 649 I HN 0.308 nan 8.210 nan 0.000 0.417 650 Q N 0.726 120.510 119.800 -0.026 0.000 1.942 650 Q HA -0.231 4.111 4.340 0.003 0.000 0.203 650 Q C 2.297 178.240 176.000 -0.095 0.000 0.987 650 Q CA 1.562 57.347 55.803 -0.030 0.000 0.844 650 Q CB -0.222 28.524 28.738 0.013 0.000 0.911 650 Q HN 0.409 nan 8.270 nan 0.000 0.423 651 K N 0.061 120.391 120.400 -0.117 0.000 2.077 651 K HA -0.229 4.093 4.320 0.003 0.000 0.213 651 K C 2.111 178.512 176.600 -0.331 0.000 1.051 651 K CA 1.945 58.064 56.287 -0.279 0.000 0.929 651 K CB -0.317 32.096 32.500 -0.144 0.000 0.715 651 K HN 0.052 nan 8.250 nan 0.000 0.451 652 V N 0.509 120.334 119.914 -0.148 0.000 2.229 652 V HA -0.234 3.888 4.120 0.003 0.000 0.243 652 V C 2.286 178.386 176.094 0.011 0.000 1.042 652 V CA 1.766 64.021 62.300 -0.074 0.000 1.000 652 V CB -0.574 31.227 31.823 -0.037 0.000 0.637 652 V HN 0.085 nan 8.190 nan 0.000 0.446 653 V N 0.812 120.719 119.914 -0.012 0.000 2.332 653 V HA -0.278 3.844 4.120 0.003 0.000 0.248 653 V C 2.406 178.542 176.094 0.071 0.000 1.055 653 V CA 2.233 64.550 62.300 0.028 0.000 1.038 653 V CB -1.015 30.785 31.823 -0.039 0.000 0.651 653 V HN 0.552 nan 8.190 nan 0.000 0.450 654 N N -0.232 118.452 118.700 -0.028 0.000 2.043 654 N HA -0.192 4.550 4.740 0.003 0.000 0.193 654 N C 1.771 177.217 175.510 -0.106 0.000 1.037 654 N CA 1.926 54.933 53.050 -0.072 0.000 0.851 654 N CB -0.496 37.908 38.487 -0.139 0.000 1.027 654 N HN 0.535 nan 8.380 nan 0.000 0.422 655 F N 0.521 120.274 119.950 -0.329 0.000 2.046 655 F HA -0.227 4.301 4.527 0.003 0.000 0.297 655 F C 2.433 178.143 175.800 -0.150 0.000 1.123 655 F CA 1.709 59.490 58.000 -0.365 0.000 1.199 655 F CB -0.770 37.893 39.000 -0.562 0.000 0.972 655 F HN 0.147 nan 8.300 nan 0.000 0.474 656 W N 0.710 121.996 121.300 -0.024 0.000 2.305 656 W HA -0.293 4.369 4.660 0.003 0.000 0.308 656 W C 2.124 178.560 176.519 -0.139 0.000 1.226 656 W CA 2.194 59.516 57.345 -0.039 0.000 1.253 656 W CB -0.557 28.917 29.460 0.023 0.000 1.146 656 W HN 0.228 nan 8.180 nan 0.000 0.507 657 L N 0.472 121.769 121.223 0.123 0.000 2.109 657 L HA -0.054 4.288 4.340 0.003 0.000 0.207 657 L C 2.307 179.017 176.870 -0.268 0.000 1.086 657 L CA 1.835 56.669 54.840 -0.010 0.000 0.760 657 L CB -1.443 40.698 42.059 0.137 0.000 0.910 657 L HN 0.166 nan 8.230 nan 0.000 0.437 658 L N -0.900 120.096 121.223 -0.378 0.000 2.189 658 L HA -0.223 4.119 4.340 0.003 0.000 0.214 658 L C 1.887 178.391 176.870 -0.609 0.000 1.097 658 L CA 1.890 56.427 54.840 -0.505 0.000 0.764 658 L CB -0.755 40.894 42.059 -0.684 0.000 0.900 658 L HN 0.422 nan 8.230 nan 0.000 0.436 659 H N -2.311 116.450 119.070 -0.516 0.000 2.705 659 H HA 0.200 4.758 4.556 0.003 0.000 0.269 659 H C 1.465 176.482 175.328 -0.519 0.000 0.998 659 H CA 0.691 56.435 56.048 -0.507 0.000 1.193 659 H CB 0.149 29.546 29.762 -0.609 0.000 1.485 659 H HN 0.479 nan 8.280 nan 0.000 0.521 660 N N 0.336 118.714 118.700 -0.537 0.000 2.432 660 N HA 0.098 4.840 4.740 0.003 0.000 0.174 660 N C 0.505 175.891 175.510 -0.206 0.000 1.037 660 N CA 0.887 53.621 53.050 -0.527 0.000 0.892 660 N CB 0.988 38.891 38.487 -0.973 0.000 1.049 660 N HN 0.322 nan 8.380 nan 0.000 0.442 661 G N -0.432 108.284 108.800 -0.140 0.000 2.787 661 G HA2 -0.089 3.873 3.960 0.003 0.000 0.685 661 G HA3 -0.089 3.873 3.960 0.003 0.000 0.685 661 G C -1.008 173.980 174.900 0.147 0.000 1.437 661 G CA -0.128 44.962 45.100 -0.017 0.000 0.872 661 G HN 0.420 nan 8.290 nan 0.000 0.566 662 F N 0.615 120.545 119.950 -0.034 0.000 2.690 662 F HA 0.720 5.249 4.527 0.003 0.000 0.311 662 F C -0.190 175.606 175.800 -0.007 0.000 1.111 662 F CA 0.418 58.416 58.000 -0.003 0.000 1.003 662 F CB 1.510 40.522 39.000 0.020 0.000 1.283 662 F HN 1.657 nan 8.300 nan 0.000 0.442 663 S N 2.728 117.818 115.700 -1.016 0.000 2.757 663 S HA 0.921 5.393 4.470 0.003 0.000 0.285 663 S C -1.694 172.480 174.600 -0.710 0.000 1.196 663 S CA -0.103 57.696 58.200 -0.668 0.000 0.856 663 S CB 1.826 64.844 63.200 -0.303 0.000 1.212 663 S HN 0.913 nan 8.310 nan 0.000 0.516 664 T N 0.195 114.537 114.554 -0.354 0.000 2.957 664 T HA 0.731 5.083 4.350 0.003 0.000 0.336 664 T C -0.389 174.234 174.700 -0.128 0.000 1.462 664 T CA -0.109 61.856 62.100 -0.224 0.000 1.073 664 T CB 1.359 70.130 68.868 -0.162 0.000 1.319 664 T HN 1.243 nan 8.240 nan 0.000 0.485 665 G N 0.235 108.983 108.800 -0.087 0.000 2.721 665 G HA2 0.581 4.543 3.960 0.003 0.000 0.296 665 G HA3 0.581 4.543 3.960 0.003 0.000 0.296 665 G C 0.655 175.533 174.900 -0.036 0.000 1.383 665 G CA -0.822 44.243 45.100 -0.058 0.000 0.788 665 G HN 0.692 nan 8.290 nan 0.000 0.500 666 I N 0.693 121.248 120.570 -0.025 0.000 2.163 666 I HA -0.040 4.132 4.170 0.003 0.000 0.243 666 I C 3.001 179.112 176.117 -0.010 0.000 1.085 666 I CA 1.751 63.043 61.300 -0.013 0.000 1.347 666 I CB -0.805 37.190 38.000 -0.008 0.000 1.044 666 I HN 0.589 nan 8.210 nan 0.000 0.408 667 G N 1.098 109.890 108.800 -0.014 0.000 2.663 667 G HA2 -0.355 3.607 3.960 0.003 0.000 0.222 667 G HA3 -0.355 3.607 3.960 0.003 0.000 0.222 667 G C 1.363 176.261 174.900 -0.004 0.000 1.146 667 G CA 1.665 46.760 45.100 -0.009 0.000 0.764 667 G HN 0.431 nan 8.290 nan 0.000 0.608 668 D N -0.053 120.340 120.400 -0.011 0.000 2.403 668 D HA -0.062 4.580 4.640 0.003 0.000 0.227 668 D C 2.398 178.703 176.300 0.009 0.000 0.995 668 D CA 1.510 55.510 54.000 -0.001 0.000 0.928 668 D CB -0.049 40.744 40.800 -0.011 0.000 0.887 668 D HN 0.575 nan 8.370 nan 0.000 0.529 669 T N -2.622 111.936 114.554 0.008 0.000 3.044 669 T HA 0.249 4.601 4.350 0.003 0.000 0.260 669 T C 0.832 175.540 174.700 0.014 0.000 1.019 669 T CA -0.362 61.746 62.100 0.014 0.000 0.921 669 T CB 0.244 69.122 68.868 0.017 0.000 1.053 669 T HN -0.101 nan 8.240 nan 0.000 0.533 670 I N 2.520 123.097 120.570 0.012 0.000 2.395 670 I HA 0.599 4.771 4.170 0.003 0.000 0.289 670 I C 0.508 176.635 176.117 0.016 0.000 1.023 670 I CA -0.870 60.438 61.300 0.013 0.000 1.350 670 I CB 1.204 39.210 38.000 0.010 0.000 1.409 670 I HN 0.223 nan 8.210 nan 0.000 0.507 671 A N 4.626 127.456 122.820 0.016 0.000 2.325 671 A HA 0.342 4.664 4.320 0.003 0.000 0.333 671 A C -0.369 177.226 177.584 0.019 0.000 1.155 671 A CA -0.651 51.398 52.037 0.020 0.000 0.814 671 A CB 0.715 19.727 19.000 0.021 0.000 1.206 671 A HN 0.696 nan 8.150 nan 0.000 0.482 672 D N 1.498 121.910 120.400 0.021 0.000 2.730 672 D HA 0.003 4.645 4.640 0.003 0.000 0.225 672 D C 1.659 177.970 176.300 0.018 0.000 1.107 672 D CA 1.459 55.471 54.000 0.020 0.000 0.837 672 D CB 0.759 41.573 40.800 0.023 0.000 1.171 672 D HN 0.602 nan 8.370 nan 0.000 0.498 673 G N 4.993 113.803 108.800 0.016 0.000 2.529 673 G HA2 -0.226 3.736 3.960 0.003 0.000 0.219 673 G HA3 -0.226 3.736 3.960 0.003 0.000 0.219 673 G C -0.652 174.258 174.900 0.016 0.000 1.177 673 G CA 0.828 45.937 45.100 0.015 0.000 0.773 673 G HN 0.577 nan 8.290 nan 0.000 0.573 674 P HA -0.034 nan 4.420 nan 0.000 0.223 674 P C 1.617 178.929 177.300 0.019 0.000 1.151 674 P CA 1.434 64.544 63.100 0.017 0.000 0.787 674 P CB -0.135 31.575 31.700 0.016 0.000 0.788 675 T N 0.453 115.020 114.554 0.021 0.000 2.668 675 T HA -0.075 4.277 4.350 0.003 0.000 0.262 675 T C 1.973 176.687 174.700 0.024 0.000 1.045 675 T CA 1.325 63.440 62.100 0.025 0.000 1.152 675 T CB -0.601 68.284 68.868 0.028 0.000 0.864 675 T HN -0.040 nan 8.240 nan 0.000 0.419 676 M N 0.983 120.596 119.600 0.021 0.000 2.260 676 M HA -0.085 4.397 4.480 0.003 0.000 0.261 676 M C 2.208 178.520 176.300 0.021 0.000 1.066 676 M CA 1.321 56.632 55.300 0.020 0.000 1.082 676 M CB -1.071 31.538 32.600 0.016 0.000 1.388 676 M HN 0.213 nan 8.290 nan 0.000 0.419 677 R N 0.307 120.819 120.500 0.020 0.000 2.061 677 R HA -0.164 4.178 4.340 0.003 0.000 0.230 677 R C 2.135 178.448 176.300 0.022 0.000 1.140 677 R CA 1.862 57.974 56.100 0.020 0.000 0.940 677 R CB -0.278 30.033 30.300 0.017 0.000 0.839 677 R HN 0.423 nan 8.270 nan 0.000 0.429 678 E N 0.113 120.326 120.200 0.023 0.000 2.160 678 E HA -0.202 4.150 4.350 0.003 0.000 0.195 678 E C 1.869 178.487 176.600 0.029 0.000 0.991 678 E CA 1.394 57.808 56.400 0.024 0.000 0.810 678 E CB -0.017 29.698 29.700 0.025 0.000 0.742 678 E HN 0.440 nan 8.360 nan 0.000 0.466 679 I N -0.060 120.530 120.570 0.032 0.000 2.162 679 I HA -0.216 3.956 4.170 0.003 0.000 0.238 679 I C 2.456 178.598 176.117 0.041 0.000 1.076 679 I CA 1.225 62.548 61.300 0.039 0.000 1.353 679 I CB -0.557 37.464 38.000 0.035 0.000 1.063 679 I HN 0.080 nan 8.210 nan 0.000 0.408 680 T N 0.953 115.528 114.554 0.035 0.000 2.721 680 T HA -0.255 4.097 4.350 0.003 0.000 0.268 680 T C 1.628 176.352 174.700 0.041 0.000 1.038 680 T CA 2.099 64.222 62.100 0.039 0.000 1.145 680 T CB -0.439 68.447 68.868 0.031 0.000 0.858 680 T HN 0.609 nan 8.240 nan 0.000 0.459 681 E N 0.040 120.259 120.200 0.032 0.000 2.230 681 E HA -0.037 4.315 4.350 0.003 0.000 0.192 681 E C 2.077 178.691 176.600 0.023 0.000 0.987 681 E CA 0.976 57.391 56.400 0.025 0.000 0.841 681 E CB -0.523 29.187 29.700 0.017 0.000 0.783 681 E HN 0.208 nan 8.360 nan 0.000 0.481 682 T N 1.426 115.998 114.554 0.030 0.000 2.699 682 T HA -0.119 4.233 4.350 0.003 0.000 0.268 682 T C 1.768 176.487 174.700 0.032 0.000 1.036 682 T CA 1.423 63.541 62.100 0.029 0.000 1.147 682 T CB -0.185 68.710 68.868 0.044 0.000 0.862 682 T HN 0.206 nan 8.240 nan 0.000 0.446 683 I N 0.847 121.451 120.570 0.058 0.000 2.233 683 I HA -0.113 4.059 4.170 0.003 0.000 0.243 683 I C 2.907 179.045 176.117 0.035 0.000 1.093 683 I CA 0.915 62.264 61.300 0.082 0.000 1.380 683 I CB -0.572 37.523 38.000 0.158 0.000 1.067 683 I HN 0.173 nan 8.210 nan 0.000 0.413 684 A N 1.501 124.342 122.820 0.035 0.000 2.009 684 A HA -0.299 4.023 4.320 0.003 0.000 0.222 684 A C 2.146 179.719 177.584 -0.019 0.000 1.175 684 A CA 2.507 54.554 52.037 0.016 0.000 0.651 684 A CB -0.831 18.180 19.000 0.018 0.000 0.815 684 A HN 0.723 nan 8.150 nan 0.000 0.459 685 E N -0.690 119.489 120.200 -0.035 0.000 2.122 685 E HA 0.201 4.553 4.350 0.003 0.000 0.190 685 E C 2.083 178.603 176.600 -0.133 0.000 0.977 685 E CA 0.688 57.044 56.400 -0.074 0.000 0.820 685 E CB -0.485 29.174 29.700 -0.067 0.000 0.770 685 E HN 0.464 nan 8.360 nan 0.000 0.462 686 A N 2.361 125.106 122.820 -0.124 0.000 1.883 686 A HA -0.222 4.100 4.320 0.003 0.000 0.217 686 A C 2.180 179.638 177.584 -0.211 0.000 1.186 686 A CA 1.829 53.751 52.037 -0.193 0.000 0.624 686 A CB -0.477 18.441 19.000 -0.136 0.000 0.822 686 A HN 0.124 nan 8.150 nan 0.000 0.444 687 K N -0.321 119.994 120.400 -0.141 0.000 2.063 687 K HA -0.169 4.153 4.320 0.003 0.000 0.208 687 K C 2.096 178.642 176.600 -0.089 0.000 1.048 687 K CA 1.773 57.995 56.287 -0.108 0.000 0.928 687 K CB -0.205 32.273 32.500 -0.037 0.000 0.713 687 K HN 0.460 nan 8.250 nan 0.000 0.442 688 K N 0.881 121.227 120.400 -0.091 0.000 2.097 688 K HA -0.135 4.187 4.320 0.003 0.000 0.206 688 K C 2.040 178.565 176.600 -0.126 0.000 1.049 688 K CA 1.249 57.488 56.287 -0.079 0.000 0.933 688 K CB 0.025 32.483 32.500 -0.069 0.000 0.717 688 K HN 0.098 nan 8.250 nan 0.000 0.442 689 K N 0.533 120.783 120.400 -0.250 0.000 2.002 689 K HA -0.119 4.203 4.320 0.003 0.000 0.209 689 K C 2.105 178.557 176.600 -0.247 0.000 1.048 689 K CA 1.434 57.465 56.287 -0.428 0.000 0.930 689 K CB -0.274 31.625 32.500 -1.001 0.000 0.714 689 K HN -0.076 nan 8.250 nan 0.000 0.438 690 V N 2.053 121.872 119.914 -0.158 0.000 2.282 690 V HA -0.271 3.851 4.120 0.003 0.000 0.249 690 V C 2.288 178.435 176.094 0.088 0.000 1.057 690 V CA 1.705 64.042 62.300 0.063 0.000 1.032 690 V CB -0.535 31.297 31.823 0.015 0.000 0.645 690 V HN 0.294 nan 8.190 nan 0.000 0.447 691 L N 0.632 121.878 121.223 0.038 0.000 2.012 691 L HA -0.181 4.161 4.340 0.003 0.000 0.210 691 L C 1.977 178.891 176.870 0.073 0.000 1.073 691 L CA 2.169 57.049 54.840 0.066 0.000 0.748 691 L CB -1.118 40.960 42.059 0.033 0.000 0.891 691 L HN 0.298 nan 8.230 nan 0.000 0.431 692 D N -1.030 119.391 120.400 0.035 0.000 2.264 692 D HA -0.109 4.533 4.640 0.003 0.000 0.208 692 D C 2.254 178.609 176.300 0.092 0.000 0.966 692 D CA 1.238 55.263 54.000 0.042 0.000 0.864 692 D CB 0.010 40.810 40.800 0.000 0.000 0.933 692 D HN 0.302 nan 8.370 nan 0.000 0.499 693 V N 0.362 120.364 119.914 0.146 0.000 2.273 693 V HA -0.191 3.932 4.120 0.003 0.000 0.242 693 V C 2.442 178.696 176.094 0.267 0.000 1.035 693 V CA 1.717 64.146 62.300 0.214 0.000 1.013 693 V CB -0.946 31.027 31.823 0.250 0.000 0.652 693 V HN 0.169 nan 8.190 nan 0.000 0.452 694 T N 0.161 114.924 114.554 0.348 0.000 2.620 694 T HA -0.331 4.021 4.350 0.003 0.000 0.267 694 T C 1.927 176.700 174.700 0.121 0.000 1.044 694 T CA 2.209 64.511 62.100 0.337 0.000 1.161 694 T CB -0.345 68.693 68.868 0.283 0.000 0.862 694 T HN 0.437 nan 8.240 nan 0.000 0.438 695 K N 0.520 120.978 120.400 0.097 0.000 2.097 695 K HA -0.126 4.196 4.320 0.003 0.000 0.206 695 K C 2.457 179.084 176.600 0.045 0.000 1.049 695 K CA 1.339 57.657 56.287 0.052 0.000 0.933 695 K CB -0.142 32.386 32.500 0.047 0.000 0.717 695 K HN 0.490 nan 8.250 nan 0.000 0.442 696 E N 0.757 120.998 120.200 0.069 0.000 2.012 696 E HA -0.249 4.103 4.350 0.003 0.000 0.197 696 E C 2.016 178.643 176.600 0.046 0.000 1.007 696 E CA 1.334 57.770 56.400 0.060 0.000 0.816 696 E CB -0.131 29.618 29.700 0.082 0.000 0.762 696 E HN 0.305 nan 8.360 nan 0.000 0.451 697 A N 0.923 123.783 122.820 0.067 0.000 1.927 697 A HA -0.306 4.016 4.320 0.003 0.000 0.220 697 A C 2.060 179.610 177.584 -0.057 0.000 1.185 697 A CA 2.155 54.199 52.037 0.010 0.000 0.639 697 A CB -0.810 18.187 19.000 -0.005 0.000 0.820 697 A HN 0.457 nan 8.150 nan 0.000 0.451 698 Q N -0.968 118.792 119.800 -0.066 0.000 2.437 698 Q HA 0.087 4.429 4.340 0.003 0.000 0.210 698 Q C 1.861 177.840 176.000 -0.034 0.000 0.972 698 Q CA 0.814 56.575 55.803 -0.070 0.000 0.903 698 Q CB -0.277 28.428 28.738 -0.056 0.000 0.967 698 Q HN 0.694 nan 8.270 nan 0.000 0.486 699 A N 0.893 123.705 122.820 -0.014 0.000 2.275 699 A HA 0.023 4.345 4.320 0.003 0.000 0.212 699 A C 0.743 178.324 177.584 -0.005 0.000 1.201 699 A CA 0.343 52.377 52.037 -0.004 0.000 0.843 699 A CB 0.017 19.021 19.000 0.007 0.000 0.873 699 A HN 0.436 nan 8.150 nan 0.000 0.492 700 N N -1.839 116.854 118.700 -0.012 0.000 2.828 700 N HA -0.172 4.570 4.740 0.003 0.000 0.248 700 N C 0.551 176.062 175.510 0.002 0.000 1.044 700 N CA 1.240 54.284 53.050 -0.010 0.000 0.851 700 N CB -1.933 36.548 38.487 -0.011 0.000 1.136 700 N HN 0.450 nan 8.380 nan 0.000 0.572 701 L N -0.220 121.009 121.223 0.009 0.000 2.179 701 L HA 0.075 4.417 4.340 0.003 0.000 0.208 701 L C 1.298 178.181 176.870 0.022 0.000 1.096 701 L CA 0.312 55.161 54.840 0.016 0.000 0.779 701 L CB -0.222 41.850 42.059 0.021 0.000 0.922 701 L HN 0.220 nan 8.230 nan 0.000 0.443 702 L N 0.785 122.025 121.223 0.028 0.000 2.605 702 L HA -0.089 4.253 4.340 0.003 0.000 0.296 702 L C 0.047 176.934 176.870 0.027 0.000 1.255 702 L CA 0.551 55.413 54.840 0.036 0.000 0.879 702 L CB 0.151 42.240 42.059 0.049 0.000 1.124 702 L HN 0.150 nan 8.230 nan 0.000 0.507 703 T N 3.172 117.744 114.554 0.030 0.000 2.770 703 T HA 0.463 4.815 4.350 0.003 0.000 0.297 703 T C 0.198 174.915 174.700 0.028 0.000 0.997 703 T CA -0.597 61.518 62.100 0.026 0.000 0.949 703 T CB 1.324 70.207 68.868 0.025 0.000 0.941 703 T HN 0.677 nan 8.240 nan 0.000 0.457 704 A N 4.505 127.341 122.820 0.027 0.000 2.454 704 A HA 0.362 4.684 4.320 0.003 0.000 0.260 704 A C 0.552 178.159 177.584 0.039 0.000 1.106 704 A CA -0.430 51.623 52.037 0.027 0.000 0.780 704 A CB 0.019 19.030 19.000 0.018 0.000 1.044 704 A HN 0.820 nan 8.150 nan 0.000 0.498 705 K N 1.262 121.685 120.400 0.038 0.000 2.187 705 K HA 0.141 4.463 4.320 0.003 0.000 0.247 705 K C 0.070 176.722 176.600 0.088 0.000 1.019 705 K CA -0.247 56.076 56.287 0.060 0.000 0.893 705 K CB 0.223 32.750 32.500 0.045 0.000 1.025 705 K HN 0.813 nan 8.250 nan 0.000 0.500 706 H N -0.545 118.528 119.070 0.005 0.000 2.790 706 H HA 0.151 4.709 4.556 0.003 0.000 0.358 706 H C 1.225 176.557 175.328 0.006 0.000 1.103 706 H CA 1.606 57.655 56.048 0.001 0.000 1.426 706 H CB 0.601 30.361 29.762 -0.003 0.000 1.424 706 H HN 0.740 nan 8.280 nan 0.000 0.599 707 G N 3.091 111.585 108.800 -0.511 0.000 2.189 707 G HA2 -0.291 3.671 3.960 0.003 0.000 0.267 707 G HA3 -0.291 3.671 3.960 0.003 0.000 0.267 707 G C 0.111 174.931 174.900 -0.134 0.000 0.975 707 G CA 0.668 45.578 45.100 -0.317 0.000 0.644 707 G HN 0.599 nan 8.290 nan 0.000 0.537 708 M N 0.875 120.424 119.600 -0.085 0.000 2.535 708 M HA 0.424 4.906 4.480 0.003 0.000 0.314 708 M C 0.186 176.468 176.300 -0.031 0.000 1.153 708 M CA -0.601 54.674 55.300 -0.042 0.000 0.924 708 M CB 2.153 34.742 32.600 -0.019 0.000 1.710 708 M HN 0.052 nan 8.290 nan 0.000 0.451 709 T N 2.160 116.702 114.554 -0.021 0.000 2.930 709 T HA 0.138 4.490 4.350 0.003 0.000 0.306 709 T C 1.311 176.010 174.700 -0.001 0.000 1.045 709 T CA -0.529 61.563 62.100 -0.014 0.000 1.134 709 T CB 0.531 69.392 68.868 -0.011 0.000 0.961 709 T HN 0.429 nan 8.240 nan 0.000 0.545 710 L N 1.724 122.946 121.223 -0.001 0.000 2.189 710 L HA -0.069 4.273 4.340 0.003 0.000 0.214 710 L C 2.610 179.497 176.870 0.029 0.000 1.097 710 L CA 1.586 56.433 54.840 0.012 0.000 0.764 710 L CB -0.871 41.186 42.059 -0.003 0.000 0.900 710 L HN 0.562 nan 8.230 nan 0.000 0.436 711 R N -0.317 120.185 120.500 0.004 0.000 2.062 711 R HA -0.085 4.257 4.340 0.003 0.000 0.229 711 R C 2.257 178.599 176.300 0.069 0.000 1.128 711 R CA 1.004 57.107 56.100 0.005 0.000 0.960 711 R CB -0.020 30.259 30.300 -0.036 0.000 0.855 711 R HN 0.416 nan 8.270 nan 0.000 0.432 712 E N -0.069 120.150 120.200 0.032 0.000 2.031 712 E HA -0.191 4.161 4.350 0.003 0.000 0.193 712 E C 1.972 178.581 176.600 0.016 0.000 0.994 712 E CA 1.758 58.170 56.400 0.021 0.000 0.800 712 E CB -0.111 29.589 29.700 -0.000 0.000 0.752 712 E HN 0.417 nan 8.360 nan 0.000 0.447 713 S N 1.348 117.057 115.700 0.016 0.000 2.374 713 S HA -0.244 4.228 4.470 0.003 0.000 0.227 713 S C 1.924 176.511 174.600 -0.022 0.000 1.037 713 S CA 1.217 59.411 58.200 -0.009 0.000 1.024 713 S CB -0.812 62.391 63.200 0.005 0.000 0.861 713 S HN 0.327 nan 8.310 nan 0.000 0.456 714 F N 3.170 123.069 119.950 -0.085 0.000 2.025 714 F HA -0.167 4.362 4.527 0.003 0.000 0.297 714 F C 2.561 178.298 175.800 -0.104 0.000 1.132 714 F CA 2.213 60.157 58.000 -0.094 0.000 1.191 714 F CB -0.598 38.335 39.000 -0.111 0.000 0.963 714 F HN 0.059 nan 8.300 nan 0.000 0.481 715 E N 0.465 120.609 120.200 -0.094 0.000 2.048 715 E HA -0.331 4.021 4.350 0.003 0.000 0.202 715 E C 2.014 178.455 176.600 -0.265 0.000 1.021 715 E CA 2.044 58.338 56.400 -0.176 0.000 0.825 715 E CB -1.017 28.691 29.700 0.014 0.000 0.756 715 E HN 0.577 nan 8.360 nan 0.000 0.454 716 D N 0.127 120.418 120.400 -0.181 0.000 2.149 716 D HA -0.175 4.467 4.640 0.003 0.000 0.194 716 D C 1.705 177.822 176.300 -0.305 0.000 1.001 716 D CA 1.326 55.214 54.000 -0.187 0.000 0.849 716 D CB 0.015 40.737 40.800 -0.129 0.000 0.939 716 D HN 0.067 nan 8.370 nan 0.000 0.449 717 N N -0.290 118.157 118.700 -0.421 0.000 2.006 717 N HA -0.148 4.594 4.740 0.003 0.000 0.196 717 N C 2.093 177.136 175.510 -0.778 0.000 1.057 717 N CA 1.424 54.066 53.050 -0.681 0.000 0.853 717 N CB -0.809 37.268 38.487 -0.684 0.000 1.051 717 N HN 0.117 nan 8.380 nan 0.000 0.423 718 V N 1.524 121.070 119.914 -0.612 0.000 2.313 718 V HA -0.240 3.882 4.120 0.003 0.000 0.253 718 V C 2.517 178.484 176.094 -0.211 0.000 1.070 718 V CA 1.577 63.683 62.300 -0.324 0.000 1.057 718 V CB -0.828 30.765 31.823 -0.384 0.000 0.653 718 V HN 0.102 nan 8.190 nan 0.000 0.450 719 V N -0.514 119.264 119.914 -0.226 0.000 2.407 719 V HA -0.267 3.855 4.120 0.003 0.000 0.248 719 V C 2.522 178.557 176.094 -0.099 0.000 1.055 719 V CA 2.329 64.554 62.300 -0.125 0.000 1.049 719 V CB -0.843 30.917 31.823 -0.105 0.000 0.662 719 V HN 0.447 nan 8.190 nan 0.000 0.455 720 R N -0.623 119.771 120.500 -0.177 0.000 2.062 720 R HA -0.080 4.262 4.340 0.003 0.000 0.231 720 R C 2.392 178.680 176.300 -0.020 0.000 1.136 720 R CA 1.695 57.715 56.100 -0.134 0.000 0.948 720 R CB -0.357 29.796 30.300 -0.245 0.000 0.845 720 R HN 0.492 nan 8.270 nan 0.000 0.430 721 F N 0.811 120.698 119.950 -0.104 0.000 2.091 721 F HA -0.305 4.224 4.527 0.003 0.000 0.299 721 F C 2.255 177.981 175.800 -0.124 0.000 1.103 721 F CA 0.798 58.731 58.000 -0.112 0.000 1.228 721 F CB -0.118 38.792 39.000 -0.150 0.000 0.984 721 F HN 0.087 nan 8.300 nan 0.000 0.477 722 L N -0.557 120.688 121.223 0.035 0.000 2.109 722 L HA -0.197 4.145 4.340 0.003 0.000 0.207 722 L C 2.161 179.080 176.870 0.082 0.000 1.086 722 L CA 0.700 55.480 54.840 -0.100 0.000 0.760 722 L CB -0.697 41.197 42.059 -0.276 0.000 0.910 722 L HN 0.169 nan 8.230 nan 0.000 0.437 723 N N 0.446 119.195 118.700 0.083 0.000 2.058 723 N HA -0.197 4.545 4.740 0.003 0.000 0.191 723 N C 1.712 177.292 175.510 0.118 0.000 1.037 723 N CA 1.384 54.499 53.050 0.108 0.000 0.848 723 N CB -0.179 38.347 38.487 0.066 0.000 1.021 723 N HN 0.378 nan 8.380 nan 0.000 0.422 724 E N 1.025 121.285 120.200 0.099 0.000 2.065 724 E HA -0.210 4.142 4.350 0.003 0.000 0.201 724 E C 2.020 178.686 176.600 0.110 0.000 1.016 724 E CA 1.390 57.849 56.400 0.098 0.000 0.818 724 E CB -0.184 29.575 29.700 0.099 0.000 0.749 724 E HN 0.358 nan 8.360 nan 0.000 0.453 725 A N 1.705 124.588 122.820 0.105 0.000 1.869 725 A HA -0.328 3.995 4.320 0.003 0.000 0.218 725 A C 2.132 179.812 177.584 0.160 0.000 1.203 725 A CA 2.169 54.274 52.037 0.113 0.000 0.638 725 A CB -0.776 18.281 19.000 0.095 0.000 0.831 725 A HN 0.194 nan 8.150 nan 0.000 0.450 726 R N -0.565 120.058 120.500 0.205 0.000 2.094 726 R HA -0.227 4.115 4.340 0.003 0.000 0.239 726 R C 1.645 178.048 176.300 0.171 0.000 1.137 726 R CA 2.261 58.464 56.100 0.172 0.000 0.943 726 R CB -0.587 29.806 30.300 0.156 0.000 0.850 726 R HN 0.482 nan 8.270 nan 0.000 0.433 727 D N 0.194 120.720 120.400 0.210 0.000 2.149 727 D HA -0.175 4.467 4.640 0.003 0.000 0.198 727 D C 1.868 178.345 176.300 0.296 0.000 0.990 727 D CA 1.826 56.019 54.000 0.321 0.000 0.839 727 D CB -0.016 40.914 40.800 0.217 0.000 0.948 727 D HN 0.534 nan 8.370 nan 0.000 0.460 728 K N 0.360 120.864 120.400 0.173 0.000 2.076 728 K HA 0.161 4.484 4.320 0.003 0.000 0.204 728 K C 2.195 178.881 176.600 0.142 0.000 1.051 728 K CA 1.048 57.413 56.287 0.131 0.000 0.949 728 K CB -0.197 32.350 32.500 0.079 0.000 0.726 728 K HN 0.002 nan 8.250 nan 0.000 0.443 729 A N 2.117 125.014 122.820 0.128 0.000 1.908 729 A HA -0.066 4.257 4.320 0.003 0.000 0.218 729 A C 2.515 180.167 177.584 0.112 0.000 1.181 729 A CA 1.888 53.984 52.037 0.098 0.000 0.627 729 A CB -1.448 17.599 19.000 0.078 0.000 0.818 729 A HN 0.530 nan 8.150 nan 0.000 0.445 730 G N -0.521 108.373 108.800 0.157 0.000 2.453 730 G HA2 -0.244 3.718 3.960 0.003 0.000 0.215 730 G HA3 -0.244 3.718 3.960 0.003 0.000 0.215 730 G C 1.751 176.888 174.900 0.395 0.000 1.201 730 G CA 0.979 46.159 45.100 0.133 0.000 0.784 730 G HN 0.563 nan 8.290 nan 0.000 0.545 731 R N -0.157 120.677 120.500 0.556 0.000 2.096 731 R HA 0.003 4.345 4.340 0.003 0.000 0.240 731 R C 2.691 179.110 176.300 0.198 0.000 1.139 731 R CA 1.180 57.481 56.100 0.335 0.000 0.952 731 R CB -0.654 29.691 30.300 0.075 0.000 0.854 731 R HN 0.303 nan 8.270 nan 0.000 0.436 732 L N 0.121 121.430 121.223 0.144 0.000 2.051 732 L HA -0.306 4.036 4.340 0.003 0.000 0.214 732 L C 2.625 179.548 176.870 0.089 0.000 1.076 732 L CA 1.626 56.522 54.840 0.093 0.000 0.758 732 L CB -0.612 41.492 42.059 0.075 0.000 0.890 732 L HN 0.357 nan 8.230 nan 0.000 0.433 733 A N -0.351 122.529 122.820 0.099 0.000 1.872 733 A HA -0.254 4.068 4.320 0.003 0.000 0.214 733 A C 2.196 179.833 177.584 0.088 0.000 1.187 733 A CA 1.574 53.654 52.037 0.072 0.000 0.614 733 A CB -0.554 18.469 19.000 0.039 0.000 0.826 733 A HN 0.499 nan 8.150 nan 0.000 0.442 734 E N 0.013 120.300 120.200 0.144 0.000 2.171 734 E HA -0.170 4.182 4.350 0.003 0.000 0.197 734 E C 1.633 178.296 176.600 0.104 0.000 0.997 734 E CA 1.595 58.087 56.400 0.153 0.000 0.810 734 E CB -0.178 29.681 29.700 0.266 0.000 0.738 734 E HN 0.336 nan 8.360 nan 0.000 0.467 735 V N 1.498 121.465 119.914 0.088 0.000 2.453 735 V HA -0.216 3.906 4.120 0.003 0.000 0.247 735 V C 2.159 178.285 176.094 0.052 0.000 1.048 735 V CA 1.574 63.911 62.300 0.062 0.000 1.049 735 V CB -0.664 31.189 31.823 0.050 0.000 0.672 735 V HN 0.345 nan 8.190 nan 0.000 0.457 736 N N 0.680 119.410 118.700 0.051 0.000 2.006 736 N HA -0.093 4.649 4.740 0.003 0.000 0.196 736 N C 0.842 176.379 175.510 0.044 0.000 1.057 736 N CA 0.804 53.879 53.050 0.042 0.000 0.853 736 N CB -0.631 37.879 38.487 0.039 0.000 1.051 736 N HN 0.343 nan 8.380 nan 0.000 0.423 737 L N 2.471 123.723 121.223 0.048 0.000 3.163 737 L HA -0.200 4.142 4.340 0.003 0.000 0.327 737 L C 0.389 177.288 176.870 0.049 0.000 1.030 737 L CA 0.553 55.423 54.840 0.050 0.000 0.897 737 L CB -0.698 41.396 42.059 0.059 0.000 1.389 737 L HN 0.134 nan 8.230 nan 0.000 0.530 738 K N 2.735 123.162 120.400 0.046 0.000 2.202 738 K HA 0.086 4.408 4.320 0.003 0.000 0.264 738 K C 0.645 177.276 176.600 0.053 0.000 1.010 738 K CA -0.863 55.451 56.287 0.045 0.000 0.940 738 K CB 0.777 33.302 32.500 0.041 0.000 0.983 738 K HN 0.342 nan 8.250 nan 0.000 0.475 739 D N 1.288 121.718 120.400 0.051 0.000 2.315 739 D HA -0.155 4.487 4.640 0.003 0.000 0.211 739 D C 1.435 177.777 176.300 0.071 0.000 0.977 739 D CA 1.180 55.213 54.000 0.056 0.000 0.894 739 D CB -0.178 40.650 40.800 0.047 0.000 0.910 739 D HN 0.462 nan 8.370 nan 0.000 0.490 740 L N -1.267 119.997 121.223 0.070 0.000 2.492 740 L HA 0.133 4.475 4.340 0.003 0.000 0.223 740 L C 0.760 177.684 176.870 0.090 0.000 1.132 740 L CA 0.032 54.922 54.840 0.082 0.000 0.850 740 L CB -0.799 41.299 42.059 0.065 0.000 0.966 740 L HN -0.216 nan 8.230 nan 0.000 0.454 741 N N 1.710 120.457 118.700 0.078 0.000 2.427 741 N HA -0.039 4.703 4.740 0.003 0.000 0.269 741 N C 0.928 176.505 175.510 0.112 0.000 1.235 741 N CA -0.107 52.986 53.050 0.072 0.000 0.934 741 N CB 0.342 38.864 38.487 0.060 0.000 1.121 741 N HN 0.211 nan 8.380 nan 0.000 0.480 742 N N 2.946 121.710 118.700 0.107 0.000 2.094 742 N HA -0.185 4.557 4.740 0.003 0.000 0.191 742 N C 1.391 177.035 175.510 0.223 0.000 1.023 742 N CA 1.062 54.228 53.050 0.193 0.000 0.857 742 N CB -0.240 38.187 38.487 -0.100 0.000 1.013 742 N HN 0.326 nan 8.380 nan 0.000 0.426 743 V N 1.907 121.890 119.914 0.114 0.000 2.220 743 V HA -0.237 3.886 4.120 0.003 0.000 0.246 743 V C 2.579 178.742 176.094 0.114 0.000 1.049 743 V CA 1.660 64.023 62.300 0.106 0.000 1.003 743 V CB -0.602 31.257 31.823 0.060 0.000 0.634 743 V HN 0.330 nan 8.190 nan 0.000 0.444 744 K N -0.532 119.925 120.400 0.095 0.000 2.127 744 K HA -0.284 4.038 4.320 0.003 0.000 0.208 744 K C 2.256 178.911 176.600 0.091 0.000 1.047 744 K CA 1.858 58.197 56.287 0.086 0.000 0.927 744 K CB -0.201 32.346 32.500 0.078 0.000 0.716 744 K HN 0.470 nan 8.250 nan 0.000 0.450 745 Q N -0.378 119.497 119.800 0.125 0.000 2.234 745 Q HA -0.161 4.181 4.340 0.003 0.000 0.206 745 Q C 1.978 178.015 176.000 0.061 0.000 0.980 745 Q CA 1.562 57.439 55.803 0.123 0.000 0.869 745 Q CB 0.025 28.915 28.738 0.252 0.000 0.912 745 Q HN 0.493 nan 8.270 nan 0.000 0.436 746 M N -1.087 118.578 119.600 0.108 0.000 2.357 746 M HA -0.087 4.395 4.480 0.003 0.000 0.266 746 M C 2.148 178.468 176.300 0.033 0.000 1.095 746 M CA 0.482 55.813 55.300 0.052 0.000 1.156 746 M CB 0.211 32.889 32.600 0.131 0.000 1.365 746 M HN -0.056 nan 8.290 nan 0.000 0.447 747 V N 0.620 120.567 119.914 0.056 0.000 2.392 747 V HA -0.301 3.821 4.120 0.003 0.000 0.249 747 V C 2.317 178.430 176.094 0.032 0.000 1.059 747 V CA 1.770 64.100 62.300 0.049 0.000 1.051 747 V CB -0.621 31.242 31.823 0.067 0.000 0.658 747 V HN 0.519 nan 8.190 nan 0.000 0.455 748 M N -0.641 118.974 119.600 0.025 0.000 2.254 748 M HA -0.084 4.398 4.480 0.003 0.000 0.265 748 M C 2.276 178.567 176.300 -0.014 0.000 1.066 748 M CA 1.753 57.058 55.300 0.008 0.000 1.123 748 M CB -0.343 32.261 32.600 0.008 0.000 1.388 748 M HN 0.429 nan 8.290 nan 0.000 0.425 749 A N -0.163 122.639 122.820 -0.030 0.000 1.897 749 A HA 0.191 4.513 4.320 0.003 0.000 0.215 749 A C 1.501 179.067 177.584 -0.030 0.000 1.181 749 A CA 1.358 53.364 52.037 -0.051 0.000 0.620 749 A CB -0.775 18.174 19.000 -0.085 0.000 0.821 749 A HN 0.607 nan 8.150 nan 0.000 0.443 750 G N -0.769 108.024 108.800 -0.013 0.000 2.600 750 G HA2 -0.037 3.925 3.960 0.003 0.000 0.251 750 G HA3 -0.037 3.925 3.960 0.003 0.000 0.251 750 G C 0.380 175.280 174.900 -0.001 0.000 1.142 750 G CA 0.817 45.917 45.100 0.000 0.000 0.994 750 G HN 1.514 nan 8.290 nan 0.000 0.511 751 S N -1.587 114.114 115.700 0.001 0.000 2.666 751 S HA 0.645 5.117 4.470 0.003 0.000 0.239 751 S C 0.401 175.016 174.600 0.025 0.000 1.031 751 S CA 0.566 58.769 58.200 0.005 0.000 1.015 751 S CB 0.955 64.144 63.200 -0.018 0.000 0.981 751 S HN 0.695 nan 8.310 nan 0.000 0.547 752 K N -0.049 120.369 120.400 0.031 0.000 3.042 752 K HA 0.414 4.736 4.320 0.003 0.000 0.351 752 K C -0.386 176.241 176.600 0.045 0.000 1.227 752 K CA 0.591 56.902 56.287 0.039 0.000 0.969 752 K CB 0.590 33.120 32.500 0.050 0.000 1.306 752 K HN 0.963 nan 8.250 nan 0.000 0.407 753 G N 1.013 109.837 108.800 0.040 0.000 2.663 753 G HA2 0.121 4.083 3.960 0.003 0.000 0.686 753 G HA3 0.121 4.083 3.960 0.003 0.000 0.686 753 G C -1.006 173.925 174.900 0.051 0.000 1.246 753 G CA -0.142 44.985 45.100 0.044 0.000 0.795 753 G HN 1.423 nan 8.290 nan 0.000 0.627 754 S N -0.067 115.669 115.700 0.059 0.000 2.611 754 S HA 0.673 5.145 4.470 0.003 0.000 0.268 754 S C 0.505 175.177 174.600 0.120 0.000 1.156 754 S CA 0.232 58.488 58.200 0.093 0.000 0.817 754 S CB 1.465 64.717 63.200 0.087 0.000 1.122 754 S HN 1.991 nan 8.310 nan 0.000 0.466 755 F N 1.700 121.664 119.950 0.024 0.000 2.037 755 F HA -0.231 4.298 4.527 0.003 0.000 0.296 755 F C 1.985 177.802 175.800 0.029 0.000 1.132 755 F CA 2.221 60.236 58.000 0.025 0.000 1.211 755 F CB -0.503 38.510 39.000 0.021 0.000 0.951 755 F HN 0.600 nan 8.300 nan 0.000 0.503 756 I N 1.221 121.710 120.570 -0.135 0.000 2.130 756 I HA -0.469 3.703 4.170 0.003 0.000 0.241 756 I C 2.253 178.240 176.117 -0.217 0.000 1.023 756 I CA 2.134 63.289 61.300 -0.242 0.000 1.293 756 I CB -1.442 36.546 38.000 -0.019 0.000 1.001 756 I HN 0.373 nan 8.210 nan 0.000 0.407 757 N N 0.769 119.415 118.700 -0.090 0.000 2.018 757 N HA -0.216 4.526 4.740 0.003 0.000 0.196 757 N C 1.933 177.399 175.510 -0.074 0.000 1.043 757 N CA 1.785 54.810 53.050 -0.041 0.000 0.856 757 N CB -0.538 37.947 38.487 -0.004 0.000 1.042 757 N HN 0.414 nan 8.380 nan 0.000 0.423 758 I N 1.569 122.075 120.570 -0.106 0.000 2.069 758 I HA -0.315 3.857 4.170 0.003 0.000 0.237 758 I C 2.492 178.500 176.117 -0.183 0.000 1.053 758 I CA 1.466 62.704 61.300 -0.104 0.000 1.311 758 I CB -0.580 37.377 38.000 -0.071 0.000 1.030 758 I HN 0.089 nan 8.210 nan 0.000 0.398 759 A N -0.102 122.466 122.820 -0.420 0.000 1.971 759 A HA -0.319 4.003 4.320 0.003 0.000 0.222 759 A C 2.236 179.668 177.584 -0.253 0.000 1.182 759 A CA 2.186 53.945 52.037 -0.463 0.000 0.649 759 A CB -0.695 17.732 19.000 -0.955 0.000 0.818 759 A HN 0.602 nan 8.150 nan 0.000 0.458 760 Q N -1.757 117.926 119.800 -0.196 0.000 2.165 760 Q HA 0.116 4.458 4.340 0.003 0.000 0.197 760 Q C 2.251 178.228 176.000 -0.039 0.000 0.952 760 Q CA 0.976 56.693 55.803 -0.143 0.000 0.848 760 Q CB -0.130 28.565 28.738 -0.072 0.000 0.931 760 Q HN 0.695 nan 8.270 nan 0.000 0.470 761 M N -0.080 119.561 119.600 0.068 0.000 2.213 761 M HA -0.131 4.351 4.480 0.003 0.000 0.263 761 M C 1.859 178.183 176.300 0.041 0.000 1.062 761 M CA 1.260 56.635 55.300 0.125 0.000 1.105 761 M CB 0.123 32.773 32.600 0.082 0.000 1.385 761 M HN 0.094 nan 8.290 nan 0.000 0.417 762 S N -0.429 115.264 115.700 -0.012 0.000 2.452 762 S HA 0.265 4.737 4.470 0.003 0.000 0.225 762 S C 0.979 175.562 174.600 -0.029 0.000 1.057 762 S CA 0.385 58.576 58.200 -0.014 0.000 0.949 762 S CB 0.185 63.378 63.200 -0.011 0.000 0.836 762 S HN 0.456 nan 8.310 nan 0.000 0.518 763 A N 0.562 123.349 122.820 -0.055 0.000 3.687 763 A HA 0.564 4.887 4.320 0.003 0.000 0.164 763 A C 0.358 177.886 177.584 -0.093 0.000 1.564 763 A CA -0.402 51.605 52.037 -0.049 0.000 0.896 763 A CB -0.644 18.341 19.000 -0.024 0.000 1.731 763 A HN 0.479 nan 8.150 nan 0.000 0.607 764 C N 0.216 119.465 119.300 -0.085 0.000 2.596 764 C HA 0.323 4.785 4.460 0.003 0.000 0.414 764 C C 1.881 176.729 174.990 -0.238 0.000 1.396 764 C CA 0.156 59.081 59.018 -0.155 0.000 1.698 764 C CB -1.270 26.415 27.740 -0.091 0.000 2.572 764 C HN 0.531 nan 8.230 nan 0.000 0.604 765 V N 6.545 126.240 119.914 -0.364 0.000 2.223 765 V HA 0.254 4.376 4.120 0.003 0.000 0.244 765 V C 1.621 177.501 176.094 -0.356 0.000 1.045 765 V CA 2.413 64.437 62.300 -0.460 0.000 1.000 765 V CB -1.215 30.191 31.823 -0.694 0.000 0.635 765 V HN 1.462 nan 8.190 nan 0.000 0.445 766 G N -1.081 107.470 108.800 -0.416 0.000 2.369 766 G HA2 0.197 4.159 3.960 0.003 0.000 0.307 766 G HA3 0.197 4.159 3.960 0.003 0.000 0.307 766 G C -1.305 173.468 174.900 -0.210 0.000 1.327 766 G CA -0.209 44.734 45.100 -0.261 0.000 0.963 766 G HN 0.335 nan 8.290 nan 0.000 0.590 767 Q N 0.151 120.004 119.800 0.087 0.000 2.307 767 Q HA 0.600 4.942 4.340 0.003 0.000 0.259 767 Q C 0.343 176.381 176.000 0.064 0.000 0.998 767 Q CA -0.069 55.849 55.803 0.192 0.000 0.923 767 Q CB 1.013 29.915 28.738 0.273 0.000 1.196 767 Q HN 0.527 nan 8.270 nan 0.000 0.416 768 Q N 1.554 121.385 119.800 0.051 0.000 2.394 768 Q HA 0.517 4.859 4.340 0.003 0.000 0.248 768 Q C -1.017 175.002 176.000 0.031 0.000 0.992 768 Q CA 0.286 56.118 55.803 0.048 0.000 0.888 768 Q CB 1.238 30.035 28.738 0.099 0.000 1.257 768 Q HN 0.777 nan 8.270 nan 0.000 0.462 769 S N -0.416 115.302 115.700 0.031 0.000 2.543 769 S HA 0.689 5.161 4.470 0.003 0.000 0.273 769 S C -1.410 173.198 174.600 0.014 0.000 1.152 769 S CA -0.906 57.302 58.200 0.013 0.000 0.910 769 S CB 1.041 64.248 63.200 0.012 0.000 1.105 769 S HN 0.236 nan 8.310 nan 0.000 0.465 770 V N 2.721 122.637 119.914 0.003 0.000 2.444 770 V HA 0.567 4.689 4.120 0.003 0.000 0.294 770 V C 0.186 176.281 176.094 0.001 0.000 1.022 770 V CA -0.390 61.914 62.300 0.005 0.000 0.850 770 V CB 0.898 32.727 31.823 0.010 0.000 0.992 770 V HN 1.162 nan 8.190 nan 0.000 0.426 771 E N 3.597 123.799 120.200 0.003 0.000 2.416 771 E HA -0.251 4.101 4.350 0.003 0.000 0.249 771 E C 1.230 177.830 176.600 0.000 0.000 1.124 771 E CA 0.562 56.964 56.400 0.002 0.000 0.732 771 E CB -1.096 28.605 29.700 0.002 0.000 1.286 771 E HN 1.506 nan 8.360 nan 0.000 0.394 772 G N -0.088 108.712 108.800 0.001 0.000 2.186 772 G HA2 -0.386 3.576 3.960 0.003 0.000 0.266 772 G HA3 -0.386 3.576 3.960 0.003 0.000 0.266 772 G C 0.201 175.097 174.900 -0.007 0.000 0.982 772 G CA 1.355 46.455 45.100 -0.001 0.000 0.670 772 G HN 0.307 nan 8.290 nan 0.000 0.533 773 K N -0.096 120.297 120.400 -0.012 0.000 2.340 773 K HA 0.500 4.822 4.320 0.003 0.000 0.244 773 K C 0.583 177.164 176.600 -0.032 0.000 0.973 773 K CA -1.119 55.155 56.287 -0.022 0.000 0.828 773 K CB 1.501 33.986 32.500 -0.027 0.000 1.226 773 K HN 0.359 nan 8.250 nan 0.000 0.437 774 R N 1.543 122.017 120.500 -0.043 0.000 2.543 774 R HA 0.222 4.564 4.340 0.003 0.000 0.277 774 R C 0.285 176.520 176.300 -0.108 0.000 1.074 774 R CA -0.521 55.543 56.100 -0.059 0.000 1.076 774 R CB -0.117 30.154 30.300 -0.049 0.000 0.993 774 R HN 0.521 nan 8.270 nan 0.000 0.459 775 I N 1.725 122.212 120.570 -0.138 0.000 3.248 775 I HA -0.294 3.878 4.170 0.003 0.000 0.344 775 I C 1.061 177.069 176.117 -0.182 0.000 1.190 775 I CA 0.753 61.952 61.300 -0.169 0.000 1.489 775 I CB -0.171 37.625 38.000 -0.340 0.000 1.285 775 I HN 0.817 nan 8.210 nan 0.000 0.516 776 A N 7.836 130.598 122.820 -0.096 0.000 2.249 776 A HA 0.500 4.822 4.320 0.003 0.000 0.281 776 A C -0.204 177.417 177.584 0.061 0.000 1.127 776 A CA -0.392 51.582 52.037 -0.105 0.000 0.833 776 A CB 0.312 19.299 19.000 -0.022 0.000 1.140 776 A HN 0.633 nan 8.150 nan 0.000 0.502 777 F N 0.780 120.748 119.950 0.030 0.000 2.425 777 F HA 0.272 4.801 4.527 0.003 0.000 0.354 777 F C 1.684 177.530 175.800 0.077 0.000 1.162 777 F CA -0.324 57.713 58.000 0.063 0.000 1.250 777 F CB 0.674 39.688 39.000 0.024 0.000 1.579 777 F HN 0.791 nan 8.300 nan 0.000 0.589 778 G N 2.599 111.568 108.800 0.282 0.000 2.422 778 G HA2 -0.172 3.790 3.960 0.003 0.000 0.218 778 G HA3 -0.172 3.790 3.960 0.003 0.000 0.218 778 G C 0.424 175.277 174.900 -0.077 0.000 1.140 778 G CA 0.390 45.535 45.100 0.073 0.000 0.775 778 G HN 0.291 nan 8.290 nan 0.000 0.545 779 F N -0.575 119.444 119.950 0.115 0.000 2.375 779 F HA 0.453 4.982 4.527 0.003 0.000 0.317 779 F C 0.581 176.383 175.800 0.004 0.000 1.124 779 F CA -1.014 57.013 58.000 0.045 0.000 1.050 779 F CB 1.218 40.231 39.000 0.022 0.000 1.314 779 F HN -0.274 nan 8.300 nan 0.000 0.511 780 V N 2.320 122.332 119.914 0.162 0.000 2.425 780 V HA -0.001 4.121 4.120 0.003 0.000 0.276 780 V C -0.150 175.885 176.094 -0.099 0.000 1.017 780 V CA 0.122 62.448 62.300 0.043 0.000 1.062 780 V CB -0.409 31.436 31.823 0.037 0.000 0.997 780 V HN 0.804 nan 8.190 nan 0.000 0.476 781 D N 2.564 122.843 120.400 -0.202 0.000 3.070 781 D HA -0.203 4.439 4.640 0.003 0.000 0.220 781 D C 0.576 176.034 176.300 -1.404 0.000 1.176 781 D CA 1.793 55.423 54.000 -0.615 0.000 0.924 781 D CB -0.452 40.178 40.800 -0.283 0.000 1.124 781 D HN 0.923 nan 8.370 nan 0.000 0.411 782 R N -2.778 117.145 120.500 -0.962 0.000 2.799 782 R HA 0.674 5.016 4.340 0.003 0.000 0.270 782 R C 0.586 176.910 176.300 0.039 0.000 1.010 782 R CA -0.838 54.850 56.100 -0.687 0.000 0.916 782 R CB 0.640 30.806 30.300 -0.224 0.000 1.228 782 R HN -0.281 nan 8.270 nan 0.000 0.469 783 T N 0.236 114.999 114.554 0.348 0.000 2.894 783 T HA 0.231 4.583 4.350 0.003 0.000 0.258 783 T C 0.477 175.529 174.700 0.587 0.000 1.043 783 T CA 0.758 63.202 62.100 0.574 0.000 1.141 783 T CB -0.127 69.081 68.868 0.567 0.000 0.873 783 T HN 0.306 nan 8.240 nan 0.000 0.449 784 L N -0.173 121.283 121.223 0.388 0.000 2.491 784 L HA 0.360 4.702 4.340 0.003 0.000 0.254 784 L C -2.073 174.556 176.870 -0.401 0.000 1.048 784 L CA -2.138 52.672 54.840 -0.050 0.000 0.855 784 L CB 2.203 44.324 42.059 0.104 0.000 1.466 784 L HN -0.274 nan 8.230 nan 0.000 0.409 785 P HA -0.025 nan 4.420 nan 0.000 0.249 785 P C 0.441 177.387 177.300 -0.591 0.000 1.241 785 P CA 0.867 63.547 63.100 -0.701 0.000 0.781 785 P CB -0.006 31.225 31.700 -0.782 0.000 1.088 786 H N -1.768 117.047 119.070 -0.424 0.000 2.586 786 H HA 0.264 4.822 4.556 0.003 0.000 0.273 786 H C 0.364 175.418 175.328 -0.456 0.000 0.997 786 H CA 0.026 55.798 56.048 -0.460 0.000 1.177 786 H CB 0.125 29.528 29.762 -0.599 0.000 1.471 786 H HN 0.197 nan 8.280 nan 0.000 0.538 787 F N 0.195 120.151 119.950 0.009 0.000 2.598 787 F HA 0.340 4.869 4.527 0.003 0.000 0.327 787 F C 0.601 176.367 175.800 -0.056 0.000 1.057 787 F CA -1.139 56.866 58.000 0.008 0.000 0.957 787 F CB 1.804 40.832 39.000 0.047 0.000 1.278 787 F HN -0.217 nan 8.300 nan 0.000 0.484 788 S N 0.783 116.592 115.700 0.182 0.000 2.610 788 S HA 0.278 4.750 4.470 0.003 0.000 0.273 788 S C -0.289 174.296 174.600 -0.026 0.000 1.274 788 S CA -0.878 57.350 58.200 0.047 0.000 1.023 788 S CB 0.891 64.117 63.200 0.044 0.000 0.962 788 S HN 0.371 nan 8.310 nan 0.000 0.523 789 K N 1.538 121.892 120.400 -0.075 0.000 2.455 789 K HA -0.025 4.297 4.320 0.003 0.000 0.269 789 K C -0.580 175.932 176.600 -0.146 0.000 0.972 789 K CA 0.256 56.446 56.287 -0.162 0.000 0.938 789 K CB 0.054 32.487 32.500 -0.112 0.000 0.931 789 K HN 0.556 nan 8.250 nan 0.000 0.507 790 D N 2.080 122.338 120.400 -0.236 0.000 3.666 790 D HA -0.177 4.465 4.640 0.003 0.000 0.220 790 D C -0.880 175.418 176.300 -0.003 0.000 1.105 790 D CA 1.200 55.166 54.000 -0.056 0.000 1.111 790 D CB -0.499 40.353 40.800 0.087 0.000 0.790 790 D HN 0.544 nan 8.370 nan 0.000 0.389 791 D N 1.553 121.909 120.400 -0.073 0.000 2.445 791 D HA 0.067 4.709 4.640 0.003 0.000 0.236 791 D C -0.277 176.014 176.300 -0.014 0.000 1.315 791 D CA -0.486 53.516 54.000 0.002 0.000 0.924 791 D CB -0.201 40.552 40.800 -0.078 0.000 1.447 791 D HN 0.166 nan 8.370 nan 0.000 0.532 792 Y N 0.756 121.138 120.300 0.135 0.000 2.471 792 Y HA 0.100 4.652 4.550 0.003 0.000 0.286 792 Y C 1.649 177.613 175.900 0.107 0.000 1.188 792 Y CA -0.236 57.945 58.100 0.135 0.000 1.286 792 Y CB -0.163 38.401 38.460 0.172 0.000 1.072 792 Y HN 0.220 nan 8.280 nan 0.000 0.517 793 S N 1.568 117.366 115.700 0.165 0.000 2.566 793 S HA -0.003 4.469 4.470 0.003 0.000 0.280 793 S C -1.200 173.431 174.600 0.052 0.000 1.343 793 S CA -1.035 57.227 58.200 0.103 0.000 1.036 793 S CB 1.094 64.329 63.200 0.059 0.000 0.866 793 S HN 0.103 nan 8.310 nan 0.000 0.526 794 P HA -0.196 nan 4.420 nan 0.000 0.214 794 P C 1.007 178.406 177.300 0.165 0.000 1.163 794 P CA 1.767 64.897 63.100 0.051 0.000 0.889 794 P CB -0.115 31.524 31.700 -0.101 0.000 0.790 795 E N 0.558 120.871 120.200 0.189 0.000 2.086 795 E HA -0.188 4.164 4.350 0.003 0.000 0.200 795 E C 2.403 179.133 176.600 0.218 0.000 1.012 795 E CA 1.861 58.423 56.400 0.270 0.000 0.812 795 E CB -1.409 28.449 29.700 0.263 0.000 0.743 795 E HN 0.245 nan 8.360 nan 0.000 0.453 796 S N 0.037 115.627 115.700 -0.184 0.000 2.383 796 S HA -0.167 4.305 4.470 0.003 0.000 0.229 796 S C 1.338 175.772 174.600 -0.276 0.000 1.030 796 S CA 1.232 59.015 58.200 -0.696 0.000 1.002 796 S CB -0.039 62.684 63.200 -0.796 0.000 0.829 796 S HN 0.120 nan 8.310 nan 0.000 0.467 797 K N 0.051 120.339 120.400 -0.187 0.000 2.570 797 K HA 0.302 4.624 4.320 0.003 0.000 0.210 797 K C 0.653 177.043 176.600 -0.350 0.000 1.048 797 K CA 0.411 56.533 56.287 -0.275 0.000 1.167 797 K CB 0.380 32.776 32.500 -0.172 0.000 0.892 797 K HN 0.486 nan 8.250 nan 0.000 0.480 798 G N 1.528 110.089 108.800 -0.398 0.000 2.138 798 G HA2 -0.243 3.719 3.960 0.003 0.000 0.193 798 G HA3 -0.243 3.719 3.960 0.003 0.000 0.193 798 G C -0.465 174.538 174.900 0.172 0.000 0.998 798 G CA -0.672 44.319 45.100 -0.182 0.000 0.668 798 G HN 0.334 nan 8.290 nan 0.000 0.516 799 F N 2.431 122.433 119.950 0.087 0.000 2.368 799 F HA 0.589 5.118 4.527 0.004 0.000 0.362 799 F C 0.483 176.350 175.800 0.112 0.000 1.137 799 F CA -1.073 56.971 58.000 0.074 0.000 1.161 799 F CB 1.134 40.165 39.000 0.052 0.000 1.265 799 F HN -0.015 nan 8.300 nan 0.000 0.530 800 V N 7.921 127.600 119.914 -0.391 0.000 2.352 800 V HA -0.002 4.120 4.120 0.003 0.000 0.253 800 V C 1.279 176.932 176.094 -0.736 0.000 1.083 800 V CA 0.199 62.271 62.300 -0.380 0.000 0.993 800 V CB 0.489 32.137 31.823 -0.291 0.000 1.111 800 V HN 0.895 nan 8.190 nan 0.000 0.490 801 E N 4.626 124.480 120.200 -0.577 0.000 2.072 801 E HA -0.115 4.237 4.350 0.003 0.000 0.191 801 E C 1.096 177.547 176.600 -0.249 0.000 0.985 801 E CA 0.571 56.711 56.400 -0.433 0.000 0.801 801 E CB 0.249 29.933 29.700 -0.026 0.000 0.750 801 E HN 0.749 nan 8.360 nan 0.000 0.452 802 N N 0.805 119.395 118.700 -0.182 0.000 2.263 802 N HA -0.013 4.729 4.740 0.003 0.000 0.239 802 N C -0.134 175.254 175.510 -0.203 0.000 1.317 802 N CA 0.688 53.657 53.050 -0.135 0.000 0.909 802 N CB 0.932 39.373 38.487 -0.078 0.000 1.171 802 N HN 0.146 nan 8.380 nan 0.000 0.492 803 S N -1.187 114.423 115.700 -0.149 0.000 2.664 803 S HA 0.333 4.805 4.470 0.003 0.000 0.304 803 S C 0.820 175.350 174.600 -0.118 0.000 1.099 803 S CA -0.719 57.376 58.200 -0.175 0.000 1.003 803 S CB 0.597 63.751 63.200 -0.078 0.000 1.092 803 S HN 0.538 nan 8.310 nan 0.000 0.525 804 Y N -0.089 120.193 120.300 -0.031 0.000 2.403 804 Y HA -0.084 4.468 4.550 0.004 0.000 0.291 804 Y C 2.106 178.008 175.900 0.003 0.000 1.143 804 Y CA 0.633 58.733 58.100 0.000 0.000 1.257 804 Y CB -0.086 38.376 38.460 0.002 0.000 0.984 804 Y HN 0.588 nan 8.280 nan 0.000 0.550 805 L N 0.614 121.915 121.223 0.131 0.000 2.007 805 L HA -0.133 4.209 4.340 0.003 0.000 0.205 805 L C 2.199 179.099 176.870 0.049 0.000 1.073 805 L CA 1.695 56.579 54.840 0.074 0.000 0.744 805 L CB -0.740 41.344 42.059 0.043 0.000 0.898 805 L HN -0.021 nan 8.230 nan 0.000 0.435 806 R N 0.075 120.591 120.500 0.027 0.000 2.105 806 R HA 0.140 4.482 4.340 0.003 0.000 0.239 806 R C 0.530 176.844 176.300 0.023 0.000 1.135 806 R CA 0.775 56.884 56.100 0.015 0.000 0.967 806 R CB -0.573 29.726 30.300 -0.003 0.000 0.861 806 R HN 0.644 nan 8.270 nan 0.000 0.442 807 G N -0.297 108.527 108.800 0.039 0.000 2.784 807 G HA2 -0.129 3.833 3.960 0.003 0.000 0.686 807 G HA3 -0.129 3.833 3.960 0.003 0.000 0.686 807 G C -1.078 173.849 174.900 0.045 0.000 1.156 807 G CA -1.090 44.046 45.100 0.061 0.000 0.757 807 G HN 0.003 nan 8.290 nan 0.000 0.642 808 L N 1.132 122.411 121.223 0.092 0.000 2.456 808 L HA 0.767 5.109 4.340 0.003 0.000 0.257 808 L C 1.657 178.566 176.870 0.066 0.000 1.162 808 L CA 0.339 55.233 54.840 0.091 0.000 0.808 808 L CB 1.285 43.464 42.059 0.201 0.000 1.136 808 L HN 1.058 nan 8.230 nan 0.000 0.466 809 T N -2.042 112.542 114.554 0.049 0.000 2.928 809 T HA 0.434 4.786 4.350 0.003 0.000 0.284 809 T C -2.009 172.696 174.700 0.007 0.000 1.008 809 T CA -1.856 60.247 62.100 0.005 0.000 1.057 809 T CB 1.543 70.407 68.868 -0.006 0.000 1.018 809 T HN 0.358 nan 8.240 nan 0.000 0.493 810 P HA -0.265 nan 4.420 nan 0.000 0.216 810 P C 1.561 178.819 177.300 -0.069 0.000 1.151 810 P CA 1.612 64.675 63.100 -0.062 0.000 0.953 810 P CB -0.036 31.560 31.700 -0.174 0.000 0.789 811 Q N -0.289 119.345 119.800 -0.276 0.000 2.029 811 Q HA -0.234 4.108 4.340 0.003 0.000 0.209 811 Q C 2.167 177.787 176.000 -0.633 0.000 0.999 811 Q CA 1.998 57.451 55.803 -0.584 0.000 0.857 811 Q CB -1.044 27.419 28.738 -0.458 0.000 0.926 811 Q HN 0.425 nan 8.270 nan 0.000 0.415 812 E N -0.291 119.793 120.200 -0.194 0.000 2.065 812 E HA -0.248 4.105 4.350 0.003 0.000 0.201 812 E C 1.736 178.400 176.600 0.107 0.000 1.016 812 E CA 1.265 57.682 56.400 0.028 0.000 0.818 812 E CB -0.360 29.385 29.700 0.076 0.000 0.749 812 E HN 0.255 nan 8.360 nan 0.000 0.453 813 F N 1.012 120.956 119.950 -0.010 0.000 2.008 813 F HA -0.321 4.208 4.527 0.003 0.000 0.297 813 F C 2.157 177.984 175.800 0.045 0.000 1.156 813 F CA 1.913 59.939 58.000 0.042 0.000 1.191 813 F CB -0.822 38.186 39.000 0.014 0.000 0.955 813 F HN -0.016 nan 8.300 nan 0.000 0.497 814 F N 0.307 120.246 119.950 -0.019 0.000 2.063 814 F HA -0.338 4.191 4.527 0.003 0.000 0.298 814 F C 2.242 178.068 175.800 0.042 0.000 1.105 814 F CA 2.161 60.118 58.000 -0.071 0.000 1.215 814 F CB -0.916 38.048 39.000 -0.059 0.000 0.972 814 F HN 0.095 nan 8.300 nan 0.000 0.483 815 F N -1.299 118.792 119.950 0.235 0.000 2.010 815 F HA -0.345 4.184 4.527 0.003 0.000 0.296 815 F C 2.685 178.510 175.800 0.042 0.000 1.146 815 F CA 1.174 59.273 58.000 0.164 0.000 1.181 815 F CB -1.178 37.941 39.000 0.198 0.000 0.965 815 F HN 0.036 nan 8.300 nan 0.000 0.480 816 H N 0.840 119.999 119.070 0.148 0.000 2.472 816 H HA -0.219 4.340 4.556 0.003 0.000 0.296 816 H C 1.795 177.046 175.328 -0.129 0.000 1.120 816 H CA 1.248 57.294 56.048 -0.004 0.000 1.250 816 H CB -0.448 29.296 29.762 -0.031 0.000 1.366 816 H HN 0.253 nan 8.280 nan 0.000 0.524 817 A N 0.204 122.827 122.820 -0.329 0.000 1.897 817 A HA -0.094 4.228 4.320 0.003 0.000 0.215 817 A C 2.694 180.086 177.584 -0.321 0.000 1.181 817 A CA 1.405 53.127 52.037 -0.526 0.000 0.620 817 A CB -0.604 17.939 19.000 -0.763 0.000 0.821 817 A HN 0.479 nan 8.150 nan 0.000 0.443 818 M N -0.444 119.025 119.600 -0.219 0.000 2.065 818 M HA -0.150 4.332 4.480 0.003 0.000 0.259 818 M C 2.325 178.599 176.300 -0.044 0.000 1.069 818 M CA 1.695 56.934 55.300 -0.102 0.000 1.110 818 M CB -0.699 31.924 32.600 0.039 0.000 1.328 818 M HN 0.513 nan 8.290 nan 0.000 0.405 819 G N -0.376 108.431 108.800 0.010 0.000 2.421 819 G HA2 -0.123 3.839 3.960 0.003 0.000 0.216 819 G HA3 -0.123 3.839 3.960 0.003 0.000 0.216 819 G C 1.491 176.393 174.900 0.003 0.000 1.171 819 G CA 0.950 46.071 45.100 0.034 0.000 0.775 819 G HN 0.570 nan 8.290 nan 0.000 0.543 820 G N 0.895 109.672 108.800 -0.039 0.000 2.529 820 G HA2 -0.345 3.618 3.960 0.003 0.000 0.219 820 G HA3 -0.345 3.618 3.960 0.003 0.000 0.219 820 G C 1.846 176.697 174.900 -0.082 0.000 1.177 820 G CA 1.507 46.551 45.100 -0.093 0.000 0.773 820 G HN 0.501 nan 8.290 nan 0.000 0.573 821 R N 0.764 121.201 120.500 -0.105 0.000 2.082 821 R HA -0.091 4.251 4.340 0.003 0.000 0.234 821 R C 2.488 178.761 176.300 -0.045 0.000 1.136 821 R CA 2.150 58.202 56.100 -0.080 0.000 0.935 821 R CB -0.837 29.409 30.300 -0.090 0.000 0.842 821 R HN 0.529 nan 8.270 nan 0.000 0.430 822 E N -1.044 119.138 120.200 -0.031 0.000 2.164 822 E HA -0.238 4.114 4.350 0.003 0.000 0.206 822 E C 1.724 178.316 176.600 -0.013 0.000 1.032 822 E CA 1.900 58.291 56.400 -0.014 0.000 0.832 822 E CB -0.631 29.067 29.700 -0.003 0.000 0.742 822 E HN 0.545 nan 8.360 nan 0.000 0.460 823 G N 1.120 109.912 108.800 -0.013 0.000 2.484 823 G HA2 -0.265 3.697 3.960 0.003 0.000 0.215 823 G HA3 -0.265 3.697 3.960 0.003 0.000 0.215 823 G C 1.583 176.473 174.900 -0.017 0.000 1.219 823 G CA 0.968 46.062 45.100 -0.009 0.000 0.791 823 G HN 0.275 nan 8.290 nan 0.000 0.550 824 L N 0.250 121.457 121.223 -0.027 0.000 2.137 824 L HA -0.149 4.193 4.340 0.003 0.000 0.213 824 L C 2.876 179.731 176.870 -0.025 0.000 1.085 824 L CA 0.848 55.671 54.840 -0.029 0.000 0.760 824 L CB -0.415 41.620 42.059 -0.040 0.000 0.893 824 L HN 0.301 nan 8.230 nan 0.000 0.434 825 I N 0.370 120.926 120.570 -0.023 0.000 2.130 825 I HA -0.276 3.896 4.170 0.003 0.000 0.234 825 I C 2.077 178.185 176.117 -0.016 0.000 1.067 825 I CA 1.603 62.892 61.300 -0.019 0.000 1.339 825 I CB -0.649 37.340 38.000 -0.018 0.000 1.073 825 I HN 0.328 nan 8.210 nan 0.000 0.405 826 D N 0.072 120.464 120.400 -0.013 0.000 2.354 826 D HA -0.161 4.481 4.640 0.003 0.000 0.216 826 D C 1.744 178.036 176.300 -0.012 0.000 0.970 826 D CA 1.156 55.150 54.000 -0.011 0.000 0.905 826 D CB -0.763 40.033 40.800 -0.007 0.000 0.903 826 D HN 0.230 nan 8.370 nan 0.000 0.508 827 T N 0.009 114.554 114.554 -0.015 0.000 2.701 827 T HA -0.082 4.271 4.350 0.003 0.000 0.263 827 T C 2.153 176.842 174.700 -0.018 0.000 1.040 827 T CA 1.715 63.805 62.100 -0.017 0.000 1.147 827 T CB -0.544 68.313 68.868 -0.019 0.000 0.865 827 T HN 0.394 nan 8.240 nan 0.000 0.426 828 A N 0.631 123.440 122.820 -0.019 0.000 2.019 828 A HA -0.021 4.301 4.320 0.003 0.000 0.219 828 A C 2.507 180.080 177.584 -0.019 0.000 1.164 828 A CA 1.202 53.227 52.037 -0.019 0.000 0.644 828 A CB -0.797 18.191 19.000 -0.020 0.000 0.805 828 A HN 0.365 nan 8.150 nan 0.000 0.449 829 V N -0.437 119.466 119.914 -0.017 0.000 2.273 829 V HA -0.130 3.992 4.120 0.003 0.000 0.242 829 V C 2.259 178.345 176.094 -0.013 0.000 1.035 829 V CA 2.045 64.335 62.300 -0.017 0.000 1.013 829 V CB -0.561 31.253 31.823 -0.015 0.000 0.652 829 V HN 0.405 nan 8.190 nan 0.000 0.452 830 K N 0.224 120.617 120.400 -0.011 0.000 2.520 830 K HA -0.146 4.176 4.320 0.003 0.000 0.198 830 K C 1.878 178.471 176.600 -0.010 0.000 1.045 830 K CA 1.490 57.772 56.287 -0.009 0.000 0.934 830 K CB -0.547 31.946 32.500 -0.011 0.000 0.766 830 K HN 0.541 nan 8.250 nan 0.000 0.483 831 T N -1.159 113.388 114.554 -0.012 0.000 2.925 831 T HA 0.110 4.463 4.350 0.003 0.000 0.245 831 T C 1.748 176.445 174.700 -0.004 0.000 1.025 831 T CA 0.780 62.872 62.100 -0.014 0.000 1.149 831 T CB -0.082 68.775 68.868 -0.018 0.000 0.866 831 T HN 0.255 nan 8.240 nan 0.000 0.437 832 A N 1.606 124.422 122.820 -0.006 0.000 1.855 832 A HA -0.075 4.247 4.320 0.003 0.000 0.215 832 A C 2.134 179.731 177.584 0.021 0.000 1.191 832 A CA 1.674 53.710 52.037 -0.002 0.000 0.613 832 A CB -0.716 18.268 19.000 -0.026 0.000 0.829 832 A HN 0.512 nan 8.150 nan 0.000 0.442 833 E N -1.012 119.193 120.200 0.009 0.000 2.114 833 E HA -0.187 4.165 4.350 0.003 0.000 0.199 833 E C 2.076 178.729 176.600 0.088 0.000 1.008 833 E CA 1.874 58.297 56.400 0.038 0.000 0.810 833 E CB -0.166 29.546 29.700 0.020 0.000 0.739 833 E HN 0.612 nan 8.360 nan 0.000 0.456 834 T N -0.629 113.953 114.554 0.047 0.000 2.777 834 T HA -0.094 4.258 4.350 0.003 0.000 0.266 834 T C 1.733 176.461 174.700 0.047 0.000 1.040 834 T CA 1.025 63.146 62.100 0.035 0.000 1.141 834 T CB -0.491 68.376 68.868 -0.002 0.000 0.868 834 T HN 0.383 nan 8.240 nan 0.000 0.444 835 G N 0.029 108.858 108.800 0.049 0.000 2.469 835 G HA2 -0.281 3.681 3.960 0.003 0.000 0.220 835 G HA3 -0.281 3.681 3.960 0.003 0.000 0.220 835 G C 1.370 176.334 174.900 0.107 0.000 1.136 835 G CA 0.864 45.994 45.100 0.051 0.000 0.759 835 G HN 0.500 nan 8.290 nan 0.000 0.562 836 Y N 1.253 121.548 120.300 -0.008 0.000 2.133 836 Y HA -0.035 4.517 4.550 0.003 0.000 0.287 836 Y C 2.704 178.623 175.900 0.031 0.000 1.134 836 Y CA 1.187 59.292 58.100 0.008 0.000 1.133 836 Y CB -0.288 38.175 38.460 0.006 0.000 0.987 836 Y HN 0.176 nan 8.280 nan 0.000 0.502 837 I N 0.064 120.698 120.570 0.107 0.000 2.194 837 I HA -0.368 3.804 4.170 0.003 0.000 0.246 837 I C 2.520 178.608 176.117 -0.048 0.000 1.093 837 I CA 1.632 62.934 61.300 0.004 0.000 1.355 837 I CB -0.561 37.460 38.000 0.035 0.000 1.046 837 I HN 0.314 nan 8.210 nan 0.000 0.413 838 Q N 1.119 120.901 119.800 -0.030 0.000 2.234 838 Q HA -0.251 4.091 4.340 0.003 0.000 0.206 838 Q C 2.181 178.145 176.000 -0.059 0.000 0.980 838 Q CA 1.720 57.493 55.803 -0.050 0.000 0.869 838 Q CB -0.158 28.555 28.738 -0.042 0.000 0.912 838 Q HN 0.515 nan 8.270 nan 0.000 0.436 839 R N -0.424 120.041 120.500 -0.059 0.000 2.064 839 R HA 0.025 4.367 4.340 0.003 0.000 0.221 839 R C 2.311 178.590 176.300 -0.034 0.000 1.136 839 R CA 0.588 56.664 56.100 -0.040 0.000 0.980 839 R CB 0.010 30.296 30.300 -0.024 0.000 0.876 839 R HN 0.081 nan 8.270 nan 0.000 0.437 840 R N 0.517 120.978 120.500 -0.065 0.000 2.117 840 R HA -0.145 4.197 4.340 0.003 0.000 0.243 840 R C 2.334 178.499 176.300 -0.225 0.000 1.143 840 R CA 1.675 57.755 56.100 -0.034 0.000 0.968 840 R CB -0.455 29.812 30.300 -0.054 0.000 0.863 840 R HN 0.277 nan 8.270 nan 0.000 0.444 841 L N -0.143 120.974 121.223 -0.177 0.000 2.027 841 L HA -0.160 4.182 4.340 0.003 0.000 0.206 841 L C 2.373 179.103 176.870 -0.233 0.000 1.074 841 L CA 1.003 55.720 54.840 -0.205 0.000 0.745 841 L CB -0.433 41.547 42.059 -0.133 0.000 0.898 841 L HN 0.020 nan 8.230 nan 0.000 0.433 842 V N -0.330 119.486 119.914 -0.163 0.000 2.407 842 V HA -0.250 3.872 4.120 0.003 0.000 0.248 842 V C 2.583 178.572 176.094 -0.175 0.000 1.055 842 V CA 1.491 63.708 62.300 -0.138 0.000 1.049 842 V CB -0.531 31.244 31.823 -0.079 0.000 0.662 842 V HN 0.362 nan 8.190 nan 0.000 0.455 843 K N 0.291 120.566 120.400 -0.208 0.000 2.031 843 K HA 0.066 4.388 4.320 0.003 0.000 0.205 843 K C 2.360 178.644 176.600 -0.527 0.000 1.049 843 K CA 1.430 57.578 56.287 -0.231 0.000 0.939 843 K CB -0.889 31.554 32.500 -0.095 0.000 0.717 843 K HN 0.426 nan 8.250 nan 0.000 0.438 844 A N 1.661 123.863 122.820 -1.029 0.000 1.917 844 A HA -0.162 4.161 4.320 0.003 0.000 0.219 844 A C 2.157 179.390 177.584 -0.585 0.000 1.182 844 A CA 1.676 52.907 52.037 -1.343 0.000 0.633 844 A CB -0.591 17.671 19.000 -1.231 0.000 0.819 844 A HN 0.255 nan 8.150 nan 0.000 0.448 845 L N -2.381 118.614 121.223 -0.379 0.000 2.515 845 L HA 0.088 4.431 4.340 0.003 0.000 0.223 845 L C 1.991 178.760 176.870 -0.168 0.000 1.079 845 L CA 0.740 55.446 54.840 -0.225 0.000 0.857 845 L CB -0.781 41.175 42.059 -0.172 0.000 1.050 845 L HN 0.511 nan 8.230 nan 0.000 0.476 846 E N 1.950 122.047 120.200 -0.171 0.000 2.627 846 E HA -0.376 3.976 4.350 0.003 0.000 0.249 846 E C 1.117 177.660 176.600 -0.095 0.000 1.012 846 E CA 2.676 59.006 56.400 -0.117 0.000 1.272 846 E CB -0.249 29.390 29.700 -0.102 0.000 1.200 846 E HN 0.713 nan 8.360 nan 0.000 0.495 847 D N -0.007 120.343 120.400 -0.084 0.000 2.338 847 D HA -0.039 4.603 4.640 0.003 0.000 0.239 847 D C 0.500 176.762 176.300 -0.064 0.000 1.095 847 D CA 0.230 54.192 54.000 -0.063 0.000 0.888 847 D CB -0.383 40.394 40.800 -0.040 0.000 0.899 847 D HN 0.242 nan 8.370 nan 0.000 0.525 848 I N 1.281 121.799 120.570 -0.086 0.000 2.395 848 I HA 0.273 4.445 4.170 0.003 0.000 0.289 848 I C 0.460 176.501 176.117 -0.126 0.000 1.023 848 I CA -0.478 60.770 61.300 -0.085 0.000 1.350 848 I CB 1.101 39.045 38.000 -0.093 0.000 1.409 848 I HN 0.013 nan 8.210 nan 0.000 0.507 849 M N 5.615 125.135 119.600 -0.133 0.000 2.569 849 M HA 0.473 4.955 4.480 0.003 0.000 0.279 849 M C -1.770 174.391 176.300 -0.232 0.000 1.253 849 M CA -0.800 54.365 55.300 -0.225 0.000 0.867 849 M CB 2.270 34.714 32.600 -0.261 0.000 1.727 849 M HN 0.118 nan 8.290 nan 0.000 0.467 850 V N 4.431 124.178 119.914 -0.278 0.000 2.397 850 V HA 0.171 4.293 4.120 0.003 0.000 0.262 850 V C 0.575 176.542 176.094 -0.212 0.000 1.047 850 V CA 0.007 62.188 62.300 -0.199 0.000 1.003 850 V CB -0.785 30.909 31.823 -0.215 0.000 1.037 850 V HN 0.748 nan 8.190 nan 0.000 0.480 851 H N 3.441 122.458 119.070 -0.088 0.000 2.598 851 H HA 0.092 4.650 4.556 0.004 0.000 0.371 851 H C 0.474 175.762 175.328 -0.066 0.000 1.468 851 H CA 0.208 56.227 56.048 -0.049 0.000 1.454 851 H CB 0.799 30.574 29.762 0.022 0.000 1.579 851 H HN 0.574 nan 8.280 nan 0.000 0.611 852 Y N 0.315 120.718 120.300 0.171 0.000 2.632 852 Y HA -0.123 4.429 4.550 0.003 0.000 0.301 852 Y C 1.008 176.957 175.900 0.082 0.000 1.172 852 Y CA 0.684 58.844 58.100 0.100 0.000 1.328 852 Y CB 0.063 38.579 38.460 0.094 0.000 1.016 852 Y HN 0.525 nan 8.280 nan 0.000 0.529 853 D N -2.767 117.757 120.400 0.206 0.000 2.559 853 D HA 0.035 4.677 4.640 0.003 0.000 0.234 853 D C 0.237 176.607 176.300 0.116 0.000 1.226 853 D CA -0.184 53.903 54.000 0.144 0.000 0.830 853 D CB -0.685 40.187 40.800 0.120 0.000 1.028 853 D HN 0.025 nan 8.370 nan 0.000 0.492 854 N N -0.872 117.886 118.700 0.096 0.000 2.778 854 N HA -0.187 4.555 4.740 0.003 0.000 0.249 854 N C -0.366 175.203 175.510 0.100 0.000 1.069 854 N CA 1.213 54.312 53.050 0.082 0.000 0.831 854 N CB -1.113 37.426 38.487 0.086 0.000 1.142 854 N HN 0.391 nan 8.380 nan 0.000 0.573 855 T N -0.359 114.254 114.554 0.100 0.000 2.847 855 T HA 0.399 4.751 4.350 0.003 0.000 0.279 855 T C 0.085 174.820 174.700 0.060 0.000 0.984 855 T CA 0.317 62.460 62.100 0.072 0.000 0.988 855 T CB 1.005 69.899 68.868 0.043 0.000 1.040 855 T HN 0.064 nan 8.240 nan 0.000 0.528 856 T N 3.799 118.356 114.554 0.004 0.000 3.009 856 T HA 0.473 4.825 4.350 0.003 0.000 0.346 856 T C -0.534 174.150 174.700 -0.026 0.000 1.092 856 T CA -0.615 61.486 62.100 0.001 0.000 1.080 856 T CB 0.334 69.201 68.868 -0.001 0.000 1.037 856 T HN 0.458 nan 8.240 nan 0.000 0.487 857 R N 2.241 122.778 120.500 0.061 0.000 2.854 857 R HA 0.561 4.903 4.340 0.003 0.000 0.271 857 R C 0.156 176.490 176.300 0.058 0.000 0.996 857 R CA -1.131 54.972 56.100 0.004 0.000 0.961 857 R CB 1.773 32.017 30.300 -0.093 0.000 1.182 857 R HN 0.659 nan 8.270 nan 0.000 0.479 858 N N -0.810 117.892 118.700 0.003 0.000 2.448 858 N HA 0.072 4.814 4.740 0.003 0.000 0.274 858 N C 0.693 176.222 175.510 0.032 0.000 1.239 858 N CA -0.405 52.651 53.050 0.010 0.000 0.982 858 N CB 0.894 39.366 38.487 -0.024 0.000 1.199 858 N HN 0.566 nan 8.380 nan 0.000 0.576 859 S N 0.667 116.382 115.700 0.025 0.000 2.390 859 S HA -0.286 4.186 4.470 0.003 0.000 0.234 859 S C 1.924 176.529 174.600 0.007 0.000 1.063 859 S CA 1.422 59.638 58.200 0.027 0.000 1.108 859 S CB -1.247 61.959 63.200 0.010 0.000 0.975 859 S HN 0.561 nan 8.310 nan 0.000 0.442 860 L N 1.337 122.556 121.223 -0.007 0.000 2.129 860 L HA -0.031 4.311 4.340 0.003 0.000 0.212 860 L C 2.472 179.320 176.870 -0.036 0.000 1.087 860 L CA 1.231 56.061 54.840 -0.017 0.000 0.757 860 L CB -1.093 40.956 42.059 -0.016 0.000 0.896 860 L HN 0.774 nan 8.230 nan 0.000 0.434 861 G N -1.830 106.937 108.800 -0.055 0.000 2.218 861 G HA2 -0.228 3.734 3.960 0.003 0.000 0.216 861 G HA3 -0.228 3.734 3.960 0.003 0.000 0.216 861 G C 0.043 174.883 174.900 -0.100 0.000 0.994 861 G CA -0.181 44.853 45.100 -0.109 0.000 0.637 861 G HN 0.312 nan 8.290 nan 0.000 0.505 862 N N 1.491 120.151 118.700 -0.067 0.000 2.417 862 N HA 0.262 5.005 4.740 0.003 0.000 0.272 862 N C 0.756 176.203 175.510 -0.105 0.000 1.304 862 N CA 0.312 53.322 53.050 -0.067 0.000 0.906 862 N CB 1.155 39.616 38.487 -0.043 0.000 1.135 862 N HN 0.272 nan 8.380 nan 0.000 0.483 863 V N 3.592 123.414 119.914 -0.154 0.000 2.720 863 V HA -0.077 4.045 4.120 0.003 0.000 0.307 863 V C 1.720 177.654 176.094 -0.266 0.000 1.071 863 V CA 0.677 62.813 62.300 -0.272 0.000 1.199 863 V CB 0.178 31.705 31.823 -0.492 0.000 0.900 863 V HN 0.597 nan 8.190 nan 0.000 0.494 864 I N 2.478 122.904 120.570 -0.240 0.000 3.718 864 I HA 0.180 4.352 4.170 0.003 0.000 0.297 864 I C 0.551 176.567 176.117 -0.169 0.000 1.220 864 I CA 0.356 61.561 61.300 -0.159 0.000 1.381 864 I CB 0.339 38.286 38.000 -0.088 0.000 1.238 864 I HN 0.579 nan 8.210 nan 0.000 0.448 865 Q N -0.100 119.578 119.800 -0.202 0.000 2.289 865 Q HA 0.320 4.662 4.340 0.003 0.000 0.270 865 Q C -0.593 175.301 176.000 -0.176 0.000 1.038 865 Q CA -0.481 55.259 55.803 -0.106 0.000 0.812 865 Q CB 2.340 31.104 28.738 0.043 0.000 1.300 865 Q HN 0.051 nan 8.270 nan 0.000 0.427 866 F N 0.980 120.963 119.950 0.055 0.000 2.502 866 F HA 0.131 4.661 4.527 0.004 0.000 0.298 866 F C 0.704 176.542 175.800 0.065 0.000 1.111 866 F CA 0.875 58.906 58.000 0.052 0.000 1.445 866 F CB 0.504 39.527 39.000 0.039 0.000 1.081 866 F HN 0.339 nan 8.300 nan 0.000 0.558 867 I N -1.514 119.181 120.570 0.207 0.000 2.649 867 I HA 0.084 4.256 4.170 0.003 0.000 0.289 867 I C -1.075 175.141 176.117 0.165 0.000 1.222 867 I CA -1.276 60.124 61.300 0.167 0.000 1.046 867 I CB 1.501 39.587 38.000 0.144 0.000 1.272 867 I HN -0.293 nan 8.210 nan 0.000 0.425 868 Y N 5.494 125.812 120.300 0.030 0.000 2.712 868 Y HA 0.312 4.864 4.550 0.003 0.000 0.333 868 Y C 1.390 177.302 175.900 0.020 0.000 1.225 868 Y CA 0.898 59.001 58.100 0.005 0.000 1.499 868 Y CB 0.682 39.131 38.460 -0.019 0.000 1.288 868 Y HN 0.847 nan 8.280 nan 0.000 0.575 869 G N 4.457 113.002 108.800 -0.424 0.000 2.269 869 G HA2 -0.383 3.579 3.960 0.003 0.000 0.277 869 G HA3 -0.383 3.579 3.960 0.003 0.000 0.277 869 G C 0.526 175.375 174.900 -0.084 0.000 1.008 869 G CA 0.822 45.667 45.100 -0.426 0.000 0.774 869 G HN 0.994 nan 8.290 nan 0.000 0.511 870 E N -2.181 118.022 120.200 0.005 0.000 3.680 870 E HA -0.333 4.019 4.350 0.003 0.000 0.309 870 E C 0.813 177.437 176.600 0.040 0.000 0.793 870 E CA 1.598 58.037 56.400 0.065 0.000 1.083 870 E CB -0.963 28.804 29.700 0.110 0.000 1.548 870 E HN 0.894 nan 8.360 nan 0.000 0.456 871 D N -1.405 118.993 120.400 -0.004 0.000 2.497 871 D HA 0.193 4.836 4.640 0.003 0.000 0.256 871 D C 0.984 177.282 176.300 -0.003 0.000 1.273 871 D CA 0.384 54.391 54.000 0.012 0.000 0.812 871 D CB -0.157 40.642 40.800 -0.003 0.000 1.190 871 D HN 0.219 nan 8.370 nan 0.000 0.524 872 G N 0.951 109.749 108.800 -0.004 0.000 2.379 872 G HA2 -0.306 3.656 3.960 0.003 0.000 0.297 872 G HA3 -0.306 3.656 3.960 0.003 0.000 0.297 872 G C -0.121 174.774 174.900 -0.009 0.000 1.004 872 G CA 0.850 45.978 45.100 0.047 0.000 0.921 872 G HN 0.391 nan 8.290 nan 0.000 0.511 873 M N 0.694 120.241 119.600 -0.087 0.000 2.364 873 M HA 0.420 4.902 4.480 0.003 0.000 0.334 873 M C -0.127 176.145 176.300 -0.047 0.000 1.107 873 M CA -1.643 53.582 55.300 -0.124 0.000 0.988 873 M CB 1.480 33.970 32.600 -0.182 0.000 1.673 873 M HN 0.201 nan 8.290 nan 0.000 0.441 874 D N 3.122 123.548 120.400 0.043 0.000 2.348 874 D HA 0.216 4.858 4.640 0.003 0.000 0.253 874 D C 0.645 176.990 176.300 0.075 0.000 1.161 874 D CA 0.279 54.359 54.000 0.133 0.000 0.876 874 D CB 1.443 42.371 40.800 0.214 0.000 1.160 874 D HN 0.804 nan 8.370 nan 0.000 0.459 875 A N 4.335 127.184 122.820 0.049 0.000 1.971 875 A HA -0.222 4.100 4.320 0.003 0.000 0.222 875 A C 2.114 179.711 177.584 0.022 0.000 1.182 875 A CA 2.329 54.383 52.037 0.028 0.000 0.649 875 A CB -0.571 18.459 19.000 0.050 0.000 0.818 875 A HN 0.714 nan 8.150 nan 0.000 0.458 876 A N -1.607 121.180 122.820 -0.055 0.000 1.930 876 A HA -0.108 4.214 4.320 0.003 0.000 0.217 876 A C 1.581 179.034 177.584 -0.219 0.000 1.175 876 A CA 1.093 53.020 52.037 -0.185 0.000 0.627 876 A CB -0.670 18.126 19.000 -0.340 0.000 0.815 876 A HN 0.650 nan 8.150 nan 0.000 0.443 877 H N -0.540 118.531 119.070 0.002 0.000 2.842 877 H HA 0.400 4.958 4.556 0.003 0.000 0.312 877 H C -0.453 174.869 175.328 -0.008 0.000 1.137 877 H CA 0.231 56.275 56.048 -0.006 0.000 1.176 877 H CB -0.472 29.257 29.762 -0.056 0.000 1.361 877 H HN 0.360 nan 8.280 nan 0.000 0.557 878 I N 0.695 121.326 120.570 0.101 0.000 2.892 878 I HA 0.281 4.453 4.170 0.003 0.000 0.306 878 I C -0.452 175.733 176.117 0.113 0.000 1.078 878 I CA -0.788 60.564 61.300 0.086 0.000 1.032 878 I CB 2.698 40.745 38.000 0.078 0.000 1.229 878 I HN 0.091 nan 8.210 nan 0.000 0.435 879 E N 2.691 122.928 120.200 0.062 0.000 2.375 879 E HA 0.260 4.612 4.350 0.003 0.000 0.280 879 E C -1.465 175.129 176.600 -0.009 0.000 0.972 879 E CA -1.106 55.295 56.400 0.001 0.000 0.782 879 E CB 2.242 31.867 29.700 -0.124 0.000 1.229 879 E HN 0.325 nan 8.360 nan 0.000 0.439 880 K N 2.453 122.821 120.400 -0.053 0.000 2.361 880 K HA 0.023 4.345 4.320 0.003 0.000 0.283 880 K C -0.529 176.025 176.600 -0.077 0.000 1.078 880 K CA 0.559 56.791 56.287 -0.090 0.000 1.041 880 K CB 0.302 32.702 32.500 -0.167 0.000 0.932 880 K HN 0.334 nan 8.250 nan 0.000 0.462 881 Q N 1.275 121.056 119.800 -0.032 0.000 2.297 881 Q HA 0.271 4.613 4.340 0.003 0.000 0.268 881 Q C -0.646 175.338 176.000 -0.027 0.000 1.045 881 Q CA -0.991 54.805 55.803 -0.011 0.000 0.861 881 Q CB 2.007 30.775 28.738 0.050 0.000 1.344 881 Q HN 0.618 nan 8.270 nan 0.000 0.452 882 S N 0.978 116.665 115.700 -0.022 0.000 2.442 882 S HA 0.437 4.909 4.470 0.003 0.000 0.297 882 S C -0.300 174.311 174.600 0.019 0.000 1.131 882 S CA -0.776 57.407 58.200 -0.028 0.000 1.092 882 S CB 0.238 63.415 63.200 -0.039 0.000 0.998 882 S HN 0.511 nan 8.310 nan 0.000 0.478 883 L N 3.860 125.100 121.223 0.029 0.000 2.401 883 L HA 0.258 4.600 4.340 0.003 0.000 0.283 883 L C 0.577 177.483 176.870 0.060 0.000 1.151 883 L CA -0.480 54.391 54.840 0.051 0.000 0.942 883 L CB -0.077 42.010 42.059 0.048 0.000 1.283 883 L HN 0.719 nan 8.230 nan 0.000 0.442 884 D N 0.809 121.259 120.400 0.084 0.000 2.411 884 D HA -0.107 4.535 4.640 0.003 0.000 0.226 884 D C 1.349 177.738 176.300 0.149 0.000 0.988 884 D CA 1.060 55.135 54.000 0.125 0.000 0.938 884 D CB 0.227 41.132 40.800 0.174 0.000 0.883 884 D HN 0.526 nan 8.370 nan 0.000 0.525 885 T N -0.193 114.423 114.554 0.102 0.000 3.069 885 T HA 0.195 4.547 4.350 0.003 0.000 0.252 885 T C 2.017 176.800 174.700 0.138 0.000 1.053 885 T CA -0.249 61.917 62.100 0.111 0.000 0.964 885 T CB 0.761 69.658 68.868 0.047 0.000 1.005 885 T HN 0.165 nan 8.240 nan 0.000 0.532 886 I N 0.717 121.349 120.570 0.104 0.000 2.429 886 I HA 0.177 4.349 4.170 0.003 0.000 0.247 886 I C 1.869 178.074 176.117 0.148 0.000 1.099 886 I CA 0.361 61.722 61.300 0.101 0.000 1.422 886 I CB -0.302 37.737 38.000 0.066 0.000 1.112 886 I HN 0.230 nan 8.210 nan 0.000 0.430 887 G N -0.169 108.705 108.800 0.123 0.000 2.525 887 G HA2 0.487 4.449 3.960 0.003 0.000 0.287 887 G HA3 0.487 4.449 3.960 0.003 0.000 0.287 887 G C -0.119 174.881 174.900 0.167 0.000 1.350 887 G CA 0.295 45.487 45.100 0.152 0.000 1.039 887 G HN 0.525 nan 8.290 nan 0.000 0.513 888 G N -1.471 107.418 108.800 0.149 0.000 2.722 888 G HA2 0.273 4.235 3.960 0.003 0.000 0.686 888 G HA3 0.273 4.235 3.960 0.003 0.000 0.686 888 G C 0.240 175.213 174.900 0.122 0.000 1.282 888 G CA 0.187 45.365 45.100 0.130 0.000 0.817 888 G HN 1.911 nan 8.290 nan 0.000 0.605 889 S N 0.510 116.266 115.700 0.093 0.000 2.572 889 S HA 0.251 4.723 4.470 0.003 0.000 0.267 889 S C 1.100 175.752 174.600 0.087 0.000 1.361 889 S CA 0.527 58.767 58.200 0.066 0.000 1.009 889 S CB 1.140 64.371 63.200 0.051 0.000 0.888 889 S HN 0.627 nan 8.310 nan 0.000 0.553 890 D N 1.189 121.617 120.400 0.046 0.000 2.178 890 D HA -0.079 4.563 4.640 0.003 0.000 0.201 890 D C 2.159 178.538 176.300 0.130 0.000 0.980 890 D CA 1.543 55.574 54.000 0.052 0.000 0.842 890 D CB -0.505 40.294 40.800 -0.002 0.000 0.948 890 D HN 0.707 nan 8.370 nan 0.000 0.472 891 A N 1.183 124.060 122.820 0.096 0.000 1.898 891 A HA -0.037 4.286 4.320 0.003 0.000 0.216 891 A C 2.334 179.986 177.584 0.114 0.000 1.181 891 A CA 1.947 54.039 52.037 0.092 0.000 0.620 891 A CB -0.516 18.518 19.000 0.056 0.000 0.819 891 A HN 0.235 nan 8.150 nan 0.000 0.442 892 A N -1.414 121.478 122.820 0.121 0.000 1.969 892 A HA 0.000 4.322 4.320 0.003 0.000 0.218 892 A C 2.009 179.703 177.584 0.183 0.000 1.169 892 A CA 1.370 53.478 52.037 0.118 0.000 0.635 892 A CB -0.684 18.377 19.000 0.101 0.000 0.810 892 A HN 0.708 nan 8.150 nan 0.000 0.445 893 F N 0.602 120.604 119.950 0.086 0.000 2.216 893 F HA -0.115 4.414 4.527 0.003 0.000 0.300 893 F C 2.068 177.982 175.800 0.190 0.000 1.085 893 F CA 1.985 60.053 58.000 0.113 0.000 1.326 893 F CB 0.064 39.066 39.000 0.003 0.000 1.027 893 F HN 0.420 nan 8.300 nan 0.000 0.497 894 E N 0.296 120.700 120.200 0.340 0.000 2.042 894 E HA -0.141 4.211 4.350 0.003 0.000 0.189 894 E C 2.047 178.704 176.600 0.094 0.000 0.974 894 E CA 0.525 57.095 56.400 0.283 0.000 0.806 894 E CB -0.085 29.755 29.700 0.233 0.000 0.769 894 E HN 0.322 nan 8.360 nan 0.000 0.451 895 K N 0.345 120.768 120.400 0.038 0.000 2.362 895 K HA -0.191 4.131 4.320 0.003 0.000 0.202 895 K C 2.199 178.773 176.600 -0.044 0.000 1.045 895 K CA 0.961 57.230 56.287 -0.029 0.000 0.936 895 K CB -0.031 32.464 32.500 -0.009 0.000 0.747 895 K HN 0.057 nan 8.250 nan 0.000 0.467 896 R N -0.610 119.874 120.500 -0.027 0.000 2.087 896 R HA -0.014 4.328 4.340 0.003 0.000 0.213 896 R C 1.330 177.458 176.300 -0.287 0.000 1.137 896 R CA 0.723 56.728 56.100 -0.158 0.000 1.022 896 R CB 0.164 30.377 30.300 -0.146 0.000 0.920 896 R HN 0.101 nan 8.270 nan 0.000 0.451 897 Y N -0.120 120.048 120.300 -0.219 0.000 2.507 897 Y HA 0.276 4.828 4.550 0.003 0.000 0.263 897 Y C 0.555 176.501 175.900 0.077 0.000 1.093 897 Y CA -0.281 57.722 58.100 -0.161 0.000 1.285 897 Y CB 0.072 38.283 38.460 -0.415 0.000 1.115 897 Y HN -0.128 nan 8.280 nan 0.000 0.533 898 R N 1.379 122.068 120.500 0.315 0.000 2.442 898 R HA 0.354 4.696 4.340 0.003 0.000 0.291 898 R C -1.433 174.853 176.300 -0.023 0.000 1.069 898 R CA -0.096 56.065 56.100 0.103 0.000 1.022 898 R CB 0.146 30.359 30.300 -0.145 0.000 0.976 898 R HN -0.083 nan 8.270 nan 0.000 0.443 899 V N 4.869 124.755 119.914 -0.047 0.000 2.447 899 V HA 0.214 4.336 4.120 0.003 0.000 0.292 899 V C -0.980 175.083 176.094 -0.052 0.000 1.021 899 V CA -0.735 61.546 62.300 -0.031 0.000 0.850 899 V CB 1.601 33.418 31.823 -0.011 0.000 1.005 899 V HN 0.780 nan 8.190 nan 0.000 0.426 900 D N 4.063 124.445 120.400 -0.029 0.000 2.483 900 D HA 0.379 5.021 4.640 0.003 0.000 0.281 900 D C 1.222 177.516 176.300 -0.009 0.000 1.174 900 D CA -0.334 53.649 54.000 -0.029 0.000 0.938 900 D CB 0.768 41.554 40.800 -0.023 0.000 1.002 900 D HN 0.415 nan 8.370 nan 0.000 0.501 901 L N 1.314 122.527 121.223 -0.016 0.000 2.283 901 L HA -0.160 4.182 4.340 0.003 0.000 0.217 901 L C 1.249 178.109 176.870 -0.016 0.000 1.104 901 L CA 0.891 55.722 54.840 -0.015 0.000 0.772 901 L CB -0.428 41.621 42.059 -0.017 0.000 0.899 901 L HN 0.460 nan 8.230 nan 0.000 0.439 902 L N 0.492 121.705 121.223 -0.017 0.000 2.934 902 L HA 0.199 4.541 4.340 0.003 0.000 0.233 902 L C -0.276 176.583 176.870 -0.017 0.000 1.358 902 L CA -0.025 54.804 54.840 -0.018 0.000 1.233 902 L CB -0.633 41.415 42.059 -0.018 0.000 1.594 902 L HN 0.221 nan 8.230 nan 0.000 0.439 903 N N -1.171 117.517 118.700 -0.020 0.000 3.547 903 N HA 0.012 4.754 4.740 0.003 0.000 0.203 903 N C 0.646 176.123 175.510 -0.054 0.000 1.410 903 N CA -0.011 53.020 53.050 -0.032 0.000 0.811 903 N CB 0.800 39.284 38.487 -0.005 0.000 1.665 903 N HN -0.076 nan 8.380 nan 0.000 0.686 904 T N 0.308 114.825 114.554 -0.062 0.000 2.751 904 T HA -0.175 4.177 4.350 0.003 0.000 0.268 904 T C 0.798 175.438 174.700 -0.100 0.000 1.045 904 T CA 1.651 63.711 62.100 -0.066 0.000 1.142 904 T CB -0.096 68.736 68.868 -0.060 0.000 0.851 904 T HN 0.498 nan 8.240 nan 0.000 0.474 905 D N -0.462 119.826 120.400 -0.186 0.000 2.305 905 D HA 0.003 4.645 4.640 0.003 0.000 0.206 905 D C 0.727 176.836 176.300 -0.318 0.000 0.974 905 D CA 0.765 54.584 54.000 -0.302 0.000 0.871 905 D CB 0.094 40.612 40.800 -0.469 0.000 0.947 905 D HN 0.446 nan 8.370 nan 0.000 0.516 906 H N -0.178 118.874 119.070 -0.029 0.000 2.528 906 H HA 0.325 4.883 4.556 0.003 0.000 0.256 906 H C -0.118 175.186 175.328 -0.040 0.000 1.204 906 H CA -0.135 55.892 56.048 -0.034 0.000 0.955 906 H CB 0.026 29.765 29.762 -0.040 0.000 1.817 906 H HN -0.156 nan 8.280 nan 0.000 0.579 907 T N 0.581 115.165 114.554 0.050 0.000 2.949 907 T HA 0.402 4.754 4.350 0.003 0.000 0.287 907 T C 0.829 175.532 174.700 0.005 0.000 1.034 907 T CA -0.855 61.254 62.100 0.015 0.000 1.018 907 T CB 1.789 70.654 68.868 -0.006 0.000 1.135 907 T HN 0.156 nan 8.240 nan 0.000 0.532 908 L N 2.636 123.853 121.223 -0.010 0.000 2.515 908 L HA 0.141 4.484 4.340 0.003 0.000 0.281 908 L C 1.034 177.894 176.870 -0.017 0.000 1.131 908 L CA -0.431 54.398 54.840 -0.019 0.000 0.905 908 L CB -0.298 41.743 42.059 -0.029 0.000 1.246 908 L HN 0.674 nan 8.230 nan 0.000 0.463 909 D N 6.738 127.129 120.400 -0.014 0.000 2.622 909 D HA -0.081 4.561 4.640 0.003 0.000 0.227 909 D C -1.393 174.898 176.300 -0.014 0.000 1.159 909 D CA -0.700 53.292 54.000 -0.013 0.000 0.865 909 D CB 1.249 42.042 40.800 -0.010 0.000 1.207 909 D HN 0.347 nan 8.370 nan 0.000 0.492 910 P HA -0.062 nan 4.420 nan 0.000 0.242 910 P C 0.908 178.202 177.300 -0.010 0.000 1.197 910 P CA 0.411 63.503 63.100 -0.013 0.000 0.765 910 P CB 0.112 31.805 31.700 -0.012 0.000 0.936 911 S N -0.792 114.904 115.700 -0.007 0.000 2.439 911 S HA 0.012 4.484 4.470 0.003 0.000 0.224 911 S C 1.933 176.532 174.600 -0.000 0.000 1.029 911 S CA 0.120 58.320 58.200 -0.001 0.000 0.946 911 S CB -1.215 61.987 63.200 0.003 0.000 0.797 911 S HN 0.052 nan 8.310 nan 0.000 0.504 912 L N 0.440 121.660 121.223 -0.005 0.000 1.982 912 L HA 0.202 4.544 4.340 0.003 0.000 0.206 912 L C 1.361 178.222 176.870 -0.016 0.000 1.078 912 L CA 0.444 55.279 54.840 -0.008 0.000 0.749 912 L CB -0.782 41.265 42.059 -0.019 0.000 0.894 912 L HN 0.307 nan 8.230 nan 0.000 0.436 913 L N 0.307 121.515 121.223 -0.025 0.000 2.453 913 L HA 0.028 4.370 4.340 0.003 0.000 0.261 913 L C 1.185 178.040 176.870 -0.025 0.000 1.179 913 L CA 0.594 55.415 54.840 -0.032 0.000 0.813 913 L CB 0.679 42.715 42.059 -0.039 0.000 1.110 913 L HN 0.179 nan 8.230 nan 0.000 0.466 914 E N -0.048 120.136 120.200 -0.028 0.000 2.060 914 E HA -0.078 4.274 4.350 0.003 0.000 0.189 914 E C 1.030 177.618 176.600 -0.021 0.000 0.974 914 E CA 0.941 57.328 56.400 -0.021 0.000 0.808 914 E CB 0.163 29.850 29.700 -0.022 0.000 0.768 914 E HN 0.804 nan 8.360 nan 0.000 0.453 915 S N -0.193 115.492 115.700 -0.026 0.000 2.768 915 S HA 0.182 4.654 4.470 0.003 0.000 0.246 915 S C 1.424 176.010 174.600 -0.024 0.000 1.006 915 S CA -0.037 58.149 58.200 -0.024 0.000 1.075 915 S CB 0.426 63.609 63.200 -0.028 0.000 0.786 915 S HN 0.347 nan 8.310 nan 0.000 0.468 916 G N 3.214 112.001 108.800 -0.022 0.000 2.514 916 G HA2 -0.293 3.669 3.960 0.003 0.000 0.217 916 G HA3 -0.293 3.669 3.960 0.003 0.000 0.217 916 G C 1.722 176.610 174.900 -0.019 0.000 1.198 916 G CA 1.295 46.383 45.100 -0.021 0.000 0.780 916 G HN 0.768 nan 8.290 nan 0.000 0.565 917 S N 1.352 117.042 115.700 -0.016 0.000 2.371 917 S HA -0.097 4.375 4.470 0.003 0.000 0.224 917 S C 1.864 176.454 174.600 -0.016 0.000 1.029 917 S CA 1.485 59.676 58.200 -0.015 0.000 0.978 917 S CB -0.417 62.775 63.200 -0.013 0.000 0.833 917 S HN 0.714 nan 8.310 nan 0.000 0.466 918 E N 0.796 120.987 120.200 -0.016 0.000 2.322 918 E HA 0.263 4.615 4.350 0.003 0.000 0.195 918 E C 0.973 177.563 176.600 -0.017 0.000 1.198 918 E CA 0.115 56.506 56.400 -0.015 0.000 1.132 918 E CB -0.398 29.294 29.700 -0.014 0.000 1.213 918 E HN 0.649 nan 8.360 nan 0.000 0.450 919 I N -0.409 120.150 120.570 -0.018 0.000 4.398 919 I HA 0.051 4.223 4.170 0.003 0.000 0.310 919 I C 0.858 176.964 176.117 -0.018 0.000 1.232 919 I CA -0.550 60.738 61.300 -0.020 0.000 1.312 919 I CB 0.510 38.496 38.000 -0.023 0.000 1.347 919 I HN 0.234 nan 8.210 nan 0.000 0.454 920 L N 3.327 124.539 121.223 -0.018 0.000 2.894 920 L HA -0.096 4.246 4.340 0.003 0.000 0.286 920 L C 1.014 177.874 176.870 -0.017 0.000 1.077 920 L CA 1.381 56.210 54.840 -0.018 0.000 1.070 920 L CB -0.430 41.618 42.059 -0.018 0.000 1.470 920 L HN 0.610 nan 8.230 nan 0.000 0.452 921 G N 2.551 111.340 108.800 -0.017 0.000 2.436 921 G HA2 -0.253 3.710 3.960 0.003 0.000 0.204 921 G HA3 -0.253 3.710 3.960 0.003 0.000 0.204 921 G C 0.271 175.162 174.900 -0.015 0.000 1.026 921 G CA -0.005 45.085 45.100 -0.016 0.000 0.658 921 G HN 0.645 nan 8.290 nan 0.000 0.499 922 D N 1.795 122.186 120.400 -0.015 0.000 2.854 922 D HA 0.069 4.711 4.640 0.003 0.000 0.243 922 D C 1.918 178.210 176.300 -0.013 0.000 1.243 922 D CA 0.531 54.523 54.000 -0.014 0.000 0.883 922 D CB 0.136 40.927 40.800 -0.015 0.000 1.145 922 D HN 0.389 nan 8.370 nan 0.000 0.555 923 L N 4.054 125.270 121.223 -0.011 0.000 2.156 923 L HA -0.127 4.215 4.340 0.003 0.000 0.208 923 L C 2.482 179.347 176.870 -0.009 0.000 1.095 923 L CA 0.770 55.604 54.840 -0.010 0.000 0.770 923 L CB -0.211 41.842 42.059 -0.009 0.000 0.914 923 L HN 0.284 nan 8.230 nan 0.000 0.439 924 K N 0.203 120.598 120.400 -0.009 0.000 2.211 924 K HA -0.081 4.241 4.320 0.003 0.000 0.203 924 K C 2.039 178.634 176.600 -0.008 0.000 1.050 924 K CA 0.974 57.256 56.287 -0.008 0.000 0.945 924 K CB -0.022 32.473 32.500 -0.008 0.000 0.732 924 K HN 0.294 nan 8.250 nan 0.000 0.451 925 L N 0.396 121.612 121.223 -0.011 0.000 2.162 925 L HA -0.104 4.238 4.340 0.003 0.000 0.205 925 L C 2.464 179.329 176.870 -0.008 0.000 1.086 925 L CA 0.634 55.468 54.840 -0.012 0.000 0.778 925 L CB -0.280 41.769 42.059 -0.016 0.000 0.928 925 L HN 0.148 nan 8.230 nan 0.000 0.446 926 Q N 0.057 119.851 119.800 -0.010 0.000 2.170 926 Q HA -0.145 4.197 4.340 0.003 0.000 0.203 926 Q C 2.341 178.340 176.000 -0.002 0.000 0.976 926 Q CA 1.217 57.014 55.803 -0.010 0.000 0.858 926 Q CB -0.323 28.406 28.738 -0.014 0.000 0.907 926 Q HN 0.353 nan 8.270 nan 0.000 0.433 927 V N 0.855 120.769 119.914 -0.001 0.000 2.469 927 V HA -0.251 3.871 4.120 0.003 0.000 0.251 927 V C 2.286 178.387 176.094 0.012 0.000 1.064 927 V CA 1.303 63.606 62.300 0.005 0.000 1.066 927 V CB -0.475 31.349 31.823 0.002 0.000 0.667 927 V HN 0.258 nan 8.190 nan 0.000 0.461 928 L N -1.315 119.914 121.223 0.010 0.000 2.062 928 L HA -0.042 4.300 4.340 0.003 0.000 0.202 928 L C 2.430 179.319 176.870 0.031 0.000 1.079 928 L CA 0.887 55.737 54.840 0.016 0.000 0.755 928 L CB -0.613 41.449 42.059 0.006 0.000 0.913 928 L HN 0.208 nan 8.230 nan 0.000 0.445 929 L N 0.092 121.331 121.223 0.027 0.000 2.064 929 L HA -0.317 4.025 4.340 0.003 0.000 0.216 929 L C 2.283 179.203 176.870 0.083 0.000 1.077 929 L CA 1.948 56.817 54.840 0.047 0.000 0.766 929 L CB -1.387 40.684 42.059 0.019 0.000 0.890 929 L HN 0.369 nan 8.230 nan 0.000 0.435 930 D N -0.156 120.276 120.400 0.053 0.000 2.092 930 D HA -0.174 4.468 4.640 0.003 0.000 0.193 930 D C 2.215 178.579 176.300 0.107 0.000 0.994 930 D CA 1.092 55.134 54.000 0.071 0.000 0.828 930 D CB -0.029 40.790 40.800 0.032 0.000 0.963 930 D HN 0.383 nan 8.370 nan 0.000 0.450 931 E N 0.235 120.476 120.200 0.068 0.000 2.085 931 E HA -0.209 4.143 4.350 0.003 0.000 0.194 931 E C 1.994 178.637 176.600 0.073 0.000 0.994 931 E CA 0.935 57.370 56.400 0.059 0.000 0.801 931 E CB -0.001 29.719 29.700 0.033 0.000 0.743 931 E HN 0.422 nan 8.360 nan 0.000 0.453 932 E N 0.152 120.403 120.200 0.085 0.000 2.047 932 E HA -0.237 4.115 4.350 0.003 0.000 0.191 932 E C 1.979 178.653 176.600 0.124 0.000 0.987 932 E CA 0.924 57.377 56.400 0.088 0.000 0.799 932 E CB -0.269 29.484 29.700 0.089 0.000 0.752 932 E HN 0.319 nan 8.360 nan 0.000 0.449 933 Y N 1.233 121.559 120.300 0.044 0.000 2.333 933 Y HA -0.115 4.437 4.550 0.003 0.000 0.290 933 Y C 2.000 177.947 175.900 0.078 0.000 1.144 933 Y CA 1.628 59.768 58.100 0.066 0.000 1.228 933 Y CB 0.184 38.683 38.460 0.065 0.000 0.985 933 Y HN -0.048 nan 8.280 nan 0.000 0.542 934 K N -0.585 119.933 120.400 0.197 0.000 2.217 934 K HA -0.186 4.136 4.320 0.003 0.000 0.202 934 K C 2.011 178.621 176.600 0.017 0.000 1.051 934 K CA 1.110 57.464 56.287 0.111 0.000 0.952 934 K CB 0.007 32.566 32.500 0.098 0.000 0.736 934 K HN 0.247 nan 8.250 nan 0.000 0.453 935 Q N 1.202 121.008 119.800 0.009 0.000 2.033 935 Q HA -0.017 4.325 4.340 0.003 0.000 0.196 935 Q C 1.835 177.813 176.000 -0.036 0.000 0.970 935 Q CA 1.313 57.107 55.803 -0.016 0.000 0.828 935 Q CB -0.191 28.543 28.738 -0.007 0.000 0.895 935 Q HN 0.220 nan 8.270 nan 0.000 0.440 936 L N -0.435 120.752 121.223 -0.060 0.000 2.081 936 L HA -0.189 4.153 4.340 0.003 0.000 0.212 936 L C 2.190 179.058 176.870 -0.003 0.000 1.080 936 L CA 1.019 55.811 54.840 -0.081 0.000 0.754 936 L CB -0.622 41.287 42.059 -0.251 0.000 0.893 936 L HN 0.098 nan 8.230 nan 0.000 0.433 937 V N -0.614 119.248 119.914 -0.087 0.000 2.719 937 V HA -0.186 3.936 4.120 0.003 0.000 0.252 937 V C 2.449 178.463 176.094 -0.133 0.000 1.065 937 V CA 1.343 63.526 62.300 -0.195 0.000 1.086 937 V CB -0.424 31.276 31.823 -0.205 0.000 0.700 937 V HN 0.382 nan 8.190 nan 0.000 0.467 938 K N -0.115 120.246 120.400 -0.065 0.000 2.057 938 K HA -0.150 4.172 4.320 0.003 0.000 0.206 938 K C 1.935 178.544 176.600 0.016 0.000 1.050 938 K CA 1.522 57.788 56.287 -0.035 0.000 0.935 938 K CB -0.219 32.257 32.500 -0.040 0.000 0.715 938 K HN 0.433 nan 8.250 nan 0.000 0.439 939 D N 0.423 120.840 120.400 0.027 0.000 2.104 939 D HA -0.182 4.460 4.640 0.003 0.000 0.194 939 D C 1.913 178.265 176.300 0.085 0.000 0.994 939 D CA 1.059 55.128 54.000 0.115 0.000 0.830 939 D CB -0.123 40.723 40.800 0.076 0.000 0.959 939 D HN 0.139 nan 8.370 nan 0.000 0.452 940 R N 0.844 121.328 120.500 -0.026 0.000 2.096 940 R HA -0.156 4.186 4.340 0.003 0.000 0.240 940 R C 2.110 178.373 176.300 -0.061 0.000 1.139 940 R CA 1.411 57.453 56.100 -0.096 0.000 0.952 940 R CB 0.176 30.252 30.300 -0.373 0.000 0.854 940 R HN 0.036 nan 8.270 nan 0.000 0.436 941 K N -0.013 120.352 120.400 -0.059 0.000 2.002 941 K HA -0.189 4.133 4.320 0.003 0.000 0.209 941 K C 1.984 178.607 176.600 0.038 0.000 1.048 941 K CA 1.349 57.621 56.287 -0.025 0.000 0.930 941 K CB -0.814 31.671 32.500 -0.024 0.000 0.714 941 K HN 0.195 nan 8.250 nan 0.000 0.438 942 F N 2.605 122.513 119.950 -0.070 0.000 2.091 942 F HA -0.211 4.318 4.527 0.003 0.000 0.299 942 F C 2.020 177.781 175.800 -0.065 0.000 1.103 942 F CA 1.348 59.306 58.000 -0.070 0.000 1.228 942 F CB -0.512 38.450 39.000 -0.064 0.000 0.984 942 F HN -0.103 nan 8.300 nan 0.000 0.477 943 L N -0.062 121.007 121.223 -0.257 0.000 2.005 943 L HA -0.187 4.155 4.340 0.003 0.000 0.207 943 L C 2.657 179.436 176.870 -0.151 0.000 1.072 943 L CA 1.499 56.172 54.840 -0.277 0.000 0.744 943 L CB -0.772 41.277 42.059 -0.016 0.000 0.895 943 L HN 0.040 nan 8.230 nan 0.000 0.433 944 R N -0.034 120.441 120.500 -0.041 0.000 2.249 944 R HA -0.184 4.158 4.340 0.003 0.000 0.230 944 R C 1.971 178.245 176.300 -0.043 0.000 1.121 944 R CA 0.993 57.116 56.100 0.037 0.000 0.997 944 R CB -0.144 30.201 30.300 0.076 0.000 0.867 944 R HN 0.508 nan 8.270 nan 0.000 0.465 945 E N -0.192 119.920 120.200 -0.146 0.000 2.086 945 E HA -0.081 4.271 4.350 0.003 0.000 0.190 945 E C 1.920 178.340 176.600 -0.300 0.000 0.975 945 E CA 0.703 57.001 56.400 -0.171 0.000 0.813 945 E CB 0.345 29.971 29.700 -0.124 0.000 0.768 945 E HN 0.050 nan 8.360 nan 0.000 0.457 946 V N 0.356 119.951 119.914 -0.531 0.000 2.255 946 V HA -0.147 3.975 4.120 0.003 0.000 0.243 946 V C 0.874 176.460 176.094 -0.847 0.000 1.038 946 V CA 1.310 63.117 62.300 -0.823 0.000 1.008 946 V CB -0.265 30.768 31.823 -1.317 0.000 0.645 946 V HN 0.159 nan 8.190 nan 0.000 0.449 947 F N 0.423 120.174 119.950 -0.333 0.000 2.560 947 F HA 0.323 4.852 4.527 0.003 0.000 0.338 947 F C 1.354 177.091 175.800 -0.105 0.000 1.201 947 F CA -0.453 57.409 58.000 -0.230 0.000 1.291 947 F CB -0.306 38.566 39.000 -0.214 0.000 1.627 947 F HN -0.136 nan 8.300 nan 0.000 0.588 948 V N -0.738 119.173 119.914 -0.004 0.000 2.313 948 V HA -0.384 3.738 4.120 0.003 0.000 0.253 948 V C 2.096 178.259 176.094 0.114 0.000 1.070 948 V CA 2.058 64.390 62.300 0.053 0.000 1.057 948 V CB -0.439 31.383 31.823 -0.003 0.000 0.653 948 V HN 0.474 nan 8.190 nan 0.000 0.450 949 D N 0.536 120.980 120.400 0.074 0.000 2.170 949 D HA -0.130 4.512 4.640 0.003 0.000 0.193 949 D C 1.904 178.082 176.300 -0.204 0.000 1.004 949 D CA 2.404 56.417 54.000 0.022 0.000 0.860 949 D CB -0.537 40.313 40.800 0.083 0.000 0.931 949 D HN 0.707 nan 8.370 nan 0.000 0.448 950 G N -0.078 108.538 108.800 -0.307 0.000 2.179 950 G HA2 -0.260 3.703 3.960 0.003 0.000 0.220 950 G HA3 -0.260 3.703 3.960 0.003 0.000 0.220 950 G C 0.103 174.777 174.900 -0.377 0.000 0.990 950 G CA 0.359 44.933 45.100 -0.876 0.000 0.646 950 G HN 0.386 nan 8.290 nan 0.000 0.517 951 E N 0.897 121.037 120.200 -0.101 0.000 2.351 951 E HA 0.621 4.973 4.350 0.003 0.000 0.266 951 E C 1.075 177.688 176.600 0.023 0.000 1.031 951 E CA 0.767 57.133 56.400 -0.057 0.000 0.911 951 E CB 0.737 30.455 29.700 0.029 0.000 0.986 951 E HN 0.782 nan 8.360 nan 0.000 0.446 952 A N 5.145 127.882 122.820 -0.139 0.000 2.390 952 A HA 0.141 4.463 4.320 0.003 0.000 0.232 952 A C -0.123 177.349 177.584 -0.188 0.000 1.233 952 A CA -0.381 51.604 52.037 -0.087 0.000 0.907 952 A CB 0.046 19.008 19.000 -0.063 0.000 0.967 952 A HN 0.540 nan 8.150 nan 0.000 0.512 953 N N 0.445 118.835 118.700 -0.517 0.000 2.546 953 N HA 0.345 5.088 4.740 0.003 0.000 0.238 953 N C -1.855 173.080 175.510 -0.958 0.000 0.984 953 N CA 0.126 52.851 53.050 -0.543 0.000 0.935 953 N CB 0.540 38.761 38.487 -0.443 0.000 1.122 953 N HN 0.421 nan 8.380 nan 0.000 0.510 954 W N 2.310 123.461 121.300 -0.247 0.000 2.739 954 W HA 0.359 5.021 4.660 0.003 0.000 0.331 954 W C -2.111 174.342 176.519 -0.110 0.000 1.049 954 W CA -1.958 55.252 57.345 -0.225 0.000 1.234 954 W CB 1.466 30.710 29.460 -0.360 0.000 1.404 954 W HN 0.249 nan 8.180 nan 0.000 0.477 955 P HA 0.050 nan 4.420 nan 0.000 0.260 955 P C -0.791 176.594 177.300 0.142 0.000 1.207 955 P CA 0.832 63.999 63.100 0.112 0.000 0.780 955 P CB 0.578 32.359 31.700 0.135 0.000 0.789 956 L N 5.986 127.281 121.223 0.119 0.000 2.422 956 L HA 0.514 4.856 4.340 0.003 0.000 0.264 956 L C -2.253 174.657 176.870 0.067 0.000 0.984 956 L CA -2.953 51.965 54.840 0.129 0.000 0.819 956 L CB 2.849 45.054 42.059 0.243 0.000 1.330 956 L HN 0.127 nan 8.230 nan 0.000 0.410 957 P HA 0.048 nan 4.420 nan 0.000 0.269 957 P C -0.452 176.795 177.300 -0.088 0.000 1.215 957 P CA 0.155 63.162 63.100 -0.155 0.000 0.780 957 P CB 1.071 32.526 31.700 -0.410 0.000 0.898 958 V N 0.319 120.220 119.914 -0.022 0.000 3.559 958 V HA -0.199 3.923 4.120 0.003 0.000 0.476 958 V C 0.684 176.861 176.094 0.138 0.000 0.682 958 V CA 0.200 62.549 62.300 0.082 0.000 1.988 958 V CB -1.708 30.228 31.823 0.188 0.000 2.423 958 V HN 0.897 nan 8.190 nan 0.000 0.500 959 N N 4.666 123.406 118.700 0.067 0.000 2.549 959 N HA 0.204 4.946 4.740 0.003 0.000 0.267 959 N C 1.044 176.574 175.510 0.033 0.000 1.182 959 N CA 0.121 53.195 53.050 0.041 0.000 1.019 959 N CB 0.519 39.001 38.487 -0.009 0.000 1.380 959 N HN 0.723 nan 8.380 nan 0.000 0.505 960 I N 2.445 123.050 120.570 0.057 0.000 2.151 960 I HA -0.350 3.823 4.170 0.003 0.000 0.243 960 I C 2.554 178.639 176.117 -0.055 0.000 1.080 960 I CA 1.151 62.451 61.300 0.001 0.000 1.339 960 I CB -0.213 37.785 38.000 -0.003 0.000 1.039 960 I HN 0.519 nan 8.210 nan 0.000 0.409 961 R N 0.868 121.342 120.500 -0.043 0.000 2.134 961 R HA -0.281 4.061 4.340 0.003 0.000 0.248 961 R C 2.470 178.720 176.300 -0.083 0.000 1.143 961 R CA 2.021 58.078 56.100 -0.072 0.000 0.957 961 R CB -0.279 30.002 30.300 -0.033 0.000 0.867 961 R HN 0.267 nan 8.270 nan 0.000 0.441 962 R N 0.162 120.637 120.500 -0.042 0.000 2.070 962 R HA -0.114 4.228 4.340 0.003 0.000 0.232 962 R C 2.445 178.728 176.300 -0.029 0.000 1.138 962 R CA 2.165 58.253 56.100 -0.020 0.000 0.936 962 R CB -0.442 29.866 30.300 0.014 0.000 0.839 962 R HN 0.316 nan 8.270 nan 0.000 0.429 963 I N 0.844 121.387 120.570 -0.045 0.000 2.143 963 I HA -0.395 3.777 4.170 0.003 0.000 0.245 963 I C 2.362 178.456 176.117 -0.039 0.000 1.068 963 I CA 1.639 62.896 61.300 -0.071 0.000 1.326 963 I CB -0.542 37.355 38.000 -0.172 0.000 1.028 963 I HN 0.272 nan 8.210 nan 0.000 0.412 964 I N 0.536 121.027 120.570 -0.133 0.000 2.099 964 I HA -0.354 3.819 4.170 0.003 0.000 0.239 964 I C 2.757 178.802 176.117 -0.120 0.000 1.066 964 I CA 1.722 62.899 61.300 -0.204 0.000 1.324 964 I CB -0.528 37.186 38.000 -0.477 0.000 1.037 964 I HN 0.338 nan 8.210 nan 0.000 0.401 965 Q N 0.458 120.171 119.800 -0.144 0.000 2.197 965 Q HA -0.196 4.146 4.340 0.003 0.000 0.207 965 Q C 1.319 177.190 176.000 -0.215 0.000 0.984 965 Q CA 1.239 56.930 55.803 -0.186 0.000 0.869 965 Q CB -0.452 28.153 28.738 -0.222 0.000 0.906 965 Q HN 0.541 nan 8.270 nan 0.000 0.426 966 N N -0.551 118.126 118.700 -0.039 0.000 2.434 966 N HA 0.085 4.827 4.740 0.003 0.000 0.196 966 N C 0.483 176.190 175.510 0.328 0.000 1.183 966 N CA 0.647 53.779 53.050 0.137 0.000 0.849 966 N CB 0.675 39.337 38.487 0.293 0.000 0.992 966 N HN 0.259 nan 8.380 nan 0.000 0.460 967 A N -0.512 122.462 122.820 0.257 0.000 2.048 967 A HA 0.092 4.414 4.320 0.003 0.000 0.197 967 A C 1.861 179.542 177.584 0.162 0.000 1.486 967 A CA -0.111 52.127 52.037 0.337 0.000 1.029 967 A CB 0.218 19.436 19.000 0.362 0.000 1.101 967 A HN -0.030 nan 8.150 nan 0.000 0.470 968 Q N 0.185 120.015 119.800 0.050 0.000 2.197 968 Q HA -0.253 4.089 4.340 0.003 0.000 0.207 968 Q C 1.600 177.604 176.000 0.005 0.000 0.984 968 Q CA 2.151 57.964 55.803 0.018 0.000 0.869 968 Q CB -0.113 28.623 28.738 -0.005 0.000 0.906 968 Q HN 0.964 nan 8.270 nan 0.000 0.426 969 Q N -2.996 116.778 119.800 -0.044 0.000 2.140 969 Q HA 0.188 4.530 4.340 0.003 0.000 0.227 969 Q C 1.076 176.890 176.000 -0.309 0.000 0.798 969 Q CA 0.311 56.054 55.803 -0.100 0.000 0.987 969 Q CB 0.077 28.814 28.738 -0.001 0.000 1.161 969 Q HN -0.113 nan 8.270 nan 0.000 0.480 970 T N -0.331 114.067 114.554 -0.259 0.000 3.054 970 T HA 0.198 4.550 4.350 0.003 0.000 0.259 970 T C -0.168 174.044 174.700 -0.814 0.000 1.092 970 T CA 0.718 62.497 62.100 -0.535 0.000 1.121 970 T CB -0.055 68.430 68.868 -0.637 0.000 0.912 970 T HN 0.325 nan 8.240 nan 0.000 0.489 971 F N 0.209 119.914 119.950 -0.408 0.000 2.683 971 F HA 0.325 4.854 4.527 0.003 0.000 0.306 971 F C 0.202 175.922 175.800 -0.133 0.000 1.102 971 F CA -0.969 56.876 58.000 -0.259 0.000 1.244 971 F CB -0.091 38.807 39.000 -0.169 0.000 1.029 971 F HN 0.099 nan 8.300 nan 0.000 0.545 972 H N 1.262 120.371 119.070 0.064 0.000 2.542 972 H HA -0.152 4.406 4.556 0.003 0.000 0.313 972 H C 0.123 175.472 175.328 0.034 0.000 0.960 972 H CA 0.407 56.475 56.048 0.034 0.000 1.032 972 H CB -1.209 28.558 29.762 0.009 0.000 1.620 972 H HN 0.280 nan 8.280 nan 0.000 0.346 973 I N 4.210 124.828 120.570 0.079 0.000 2.301 973 I HA 0.014 4.186 4.170 0.003 0.000 0.292 973 I C 0.711 176.760 176.117 -0.113 0.000 1.046 973 I CA -0.400 60.889 61.300 -0.019 0.000 1.282 973 I CB 0.883 38.839 38.000 -0.074 0.000 1.409 973 I HN 0.296 nan 8.210 nan 0.000 0.484 974 D N 5.974 126.333 120.400 -0.069 0.000 2.295 974 D HA 0.044 4.686 4.640 0.003 0.000 0.248 974 D C 0.467 176.708 176.300 -0.097 0.000 1.154 974 D CA -0.358 53.611 54.000 -0.052 0.000 0.857 974 D CB 0.902 41.709 40.800 0.012 0.000 1.117 974 D HN 0.479 nan 8.370 nan 0.000 0.468 975 H N 1.575 120.676 119.070 0.052 0.000 2.682 975 H HA 0.021 4.579 4.556 0.003 0.000 0.293 975 H C 1.114 176.459 175.328 0.029 0.000 1.080 975 H CA 0.562 56.635 56.048 0.042 0.000 1.189 975 H CB -0.092 29.696 29.762 0.044 0.000 1.311 975 H HN 0.632 nan 8.280 nan 0.000 0.599 976 T N -3.514 111.096 114.554 0.092 0.000 3.019 976 T HA 0.151 4.503 4.350 0.003 0.000 0.247 976 T C 0.909 175.632 174.700 0.038 0.000 0.992 976 T CA -0.219 61.919 62.100 0.064 0.000 1.036 976 T CB 1.137 70.037 68.868 0.053 0.000 1.063 976 T HN 0.020 nan 8.240 nan 0.000 0.476 977 K N 2.487 122.902 120.400 0.025 0.000 2.106 977 K HA 0.519 4.841 4.320 0.003 0.000 0.246 977 K C -2.652 173.954 176.600 0.009 0.000 0.987 977 K CA -2.378 53.917 56.287 0.014 0.000 0.904 977 K CB 0.931 33.437 32.500 0.010 0.000 1.071 977 K HN 0.193 nan 8.250 nan 0.000 0.453 978 P HA 0.018 nan 4.420 nan 0.000 0.282 978 P C -0.466 176.829 177.300 -0.008 0.000 1.249 978 P CA -0.341 62.758 63.100 -0.002 0.000 0.806 978 P CB 1.450 33.147 31.700 -0.005 0.000 0.984 979 S N 0.937 116.628 115.700 -0.015 0.000 2.608 979 S HA 0.078 4.550 4.470 0.003 0.000 0.261 979 S C 0.765 175.348 174.600 -0.028 0.000 1.314 979 S CA -0.160 58.027 58.200 -0.022 0.000 0.992 979 S CB -0.054 63.127 63.200 -0.031 0.000 0.935 979 S HN 0.600 nan 8.310 nan 0.000 0.564 980 D N 1.346 121.727 120.400 -0.032 0.000 2.501 980 D HA 0.152 4.794 4.640 0.003 0.000 0.226 980 D C 0.037 176.305 176.300 -0.055 0.000 1.198 980 D CA -0.215 53.765 54.000 -0.032 0.000 0.830 980 D CB -0.482 40.308 40.800 -0.017 0.000 1.014 980 D HN 0.373 nan 8.370 nan 0.000 0.496 981 L N 0.980 122.155 121.223 -0.081 0.000 2.331 981 L HA 0.239 4.581 4.340 0.003 0.000 0.278 981 L C 0.369 177.165 176.870 -0.123 0.000 1.106 981 L CA 0.025 54.783 54.840 -0.137 0.000 0.824 981 L CB 1.346 43.282 42.059 -0.205 0.000 1.142 981 L HN -0.158 nan 8.230 nan 0.000 0.443 982 T N 3.900 118.376 114.554 -0.129 0.000 2.845 982 T HA 0.285 4.637 4.350 0.003 0.000 0.288 982 T C 1.663 176.291 174.700 -0.120 0.000 0.980 982 T CA -0.473 61.568 62.100 -0.099 0.000 1.071 982 T CB 1.400 70.224 68.868 -0.074 0.000 0.941 982 T HN 0.424 nan 8.240 nan 0.000 0.487 983 I N 1.852 122.367 120.570 -0.091 0.000 2.315 983 I HA -0.243 3.929 4.170 0.003 0.000 0.251 983 I C 2.494 178.562 176.117 -0.082 0.000 1.125 983 I CA 1.443 62.691 61.300 -0.087 0.000 1.392 983 I CB -0.189 37.777 38.000 -0.056 0.000 1.065 983 I HN 0.688 nan 8.210 nan 0.000 0.424 984 K N 0.441 120.800 120.400 -0.068 0.000 2.025 984 K HA -0.176 4.146 4.320 0.003 0.000 0.207 984 K C 1.664 178.223 176.600 -0.068 0.000 1.049 984 K CA 1.487 57.743 56.287 -0.052 0.000 0.933 984 K CB -0.224 32.254 32.500 -0.037 0.000 0.714 984 K HN 0.270 nan 8.250 nan 0.000 0.438 985 D N 1.257 121.596 120.400 -0.102 0.000 2.156 985 D HA -0.210 4.433 4.640 0.003 0.000 0.190 985 D C 1.977 178.162 176.300 -0.192 0.000 0.998 985 D CA 1.348 55.267 54.000 -0.135 0.000 0.842 985 D CB -0.576 40.106 40.800 -0.197 0.000 0.974 985 D HN 0.119 nan 8.370 nan 0.000 0.447 986 I N 0.664 121.016 120.570 -0.365 0.000 2.043 986 I HA -0.321 3.851 4.170 0.003 0.000 0.231 986 I C 2.615 178.699 176.117 -0.054 0.000 1.024 986 I CA 1.050 62.104 61.300 -0.409 0.000 1.309 986 I CB -0.849 36.930 38.000 -0.368 0.000 1.030 986 I HN -0.092 nan 8.210 nan 0.000 0.389 987 V N 1.129 121.018 119.914 -0.042 0.000 2.252 987 V HA -0.340 3.782 4.120 0.003 0.000 0.255 987 V C 2.399 178.508 176.094 0.025 0.000 1.071 987 V CA 2.281 64.586 62.300 0.009 0.000 1.050 987 V CB -0.767 31.054 31.823 -0.002 0.000 0.654 987 V HN 0.391 nan 8.190 nan 0.000 0.448 988 L N -0.128 121.101 121.223 0.009 0.000 2.156 988 L HA -0.015 4.327 4.340 0.003 0.000 0.208 988 L C 2.560 179.456 176.870 0.043 0.000 1.095 988 L CA 1.332 56.183 54.840 0.018 0.000 0.770 988 L CB -0.941 41.121 42.059 0.005 0.000 0.914 988 L HN 0.495 nan 8.230 nan 0.000 0.439 989 G N -0.346 108.500 108.800 0.078 0.000 2.414 989 G HA2 -0.182 3.780 3.960 0.003 0.000 0.215 989 G HA3 -0.182 3.780 3.960 0.003 0.000 0.215 989 G C 1.577 176.563 174.900 0.144 0.000 1.188 989 G CA 0.794 45.984 45.100 0.151 0.000 0.783 989 G HN 0.137 nan 8.290 nan 0.000 0.537 990 V N 0.963 120.988 119.914 0.184 0.000 2.282 990 V HA -0.254 3.868 4.120 0.003 0.000 0.249 990 V C 2.690 178.804 176.094 0.034 0.000 1.057 990 V CA 2.509 64.874 62.300 0.109 0.000 1.032 990 V CB -0.560 31.334 31.823 0.118 0.000 0.645 990 V HN 0.383 nan 8.190 nan 0.000 0.447 991 K N -0.261 120.159 120.400 0.033 0.000 1.978 991 K HA -0.246 4.076 4.320 0.003 0.000 0.214 991 K C 2.095 178.692 176.600 -0.004 0.000 1.049 991 K CA 2.114 58.405 56.287 0.006 0.000 0.939 991 K CB -0.405 32.100 32.500 0.008 0.000 0.721 991 K HN 0.454 nan 8.250 nan 0.000 0.441 992 D N 0.626 121.031 120.400 0.009 0.000 2.149 992 D HA -0.201 4.441 4.640 0.003 0.000 0.194 992 D C 1.916 178.207 176.300 -0.016 0.000 1.001 992 D CA 1.139 55.139 54.000 0.000 0.000 0.849 992 D CB -0.179 40.630 40.800 0.014 0.000 0.939 992 D HN 0.115 nan 8.370 nan 0.000 0.449 993 L N 1.535 122.748 121.223 -0.016 0.000 2.051 993 L HA -0.242 4.100 4.340 0.003 0.000 0.214 993 L C 2.023 178.850 176.870 -0.071 0.000 1.076 993 L CA 1.790 56.603 54.840 -0.045 0.000 0.758 993 L CB -0.821 41.202 42.059 -0.061 0.000 0.890 993 L HN 0.028 nan 8.230 nan 0.000 0.433 994 Q N -0.934 118.823 119.800 -0.071 0.000 2.515 994 Q HA -0.169 4.173 4.340 0.003 0.000 0.215 994 Q C 1.652 177.602 176.000 -0.082 0.000 0.983 994 Q CA 0.998 56.748 55.803 -0.089 0.000 0.905 994 Q CB 0.000 28.694 28.738 -0.074 0.000 0.961 994 Q HN 0.571 nan 8.270 nan 0.000 0.503 995 E N -0.092 120.071 120.200 -0.061 0.000 2.340 995 E HA 0.016 4.368 4.350 0.003 0.000 0.194 995 E C 0.637 177.204 176.600 -0.055 0.000 0.996 995 E CA 0.392 56.762 56.400 -0.050 0.000 0.869 995 E CB 0.300 29.982 29.700 -0.030 0.000 0.835 995 E HN 0.344 nan 8.360 nan 0.000 0.493 996 N N 0.609 119.270 118.700 -0.065 0.000 2.279 996 N HA 0.129 4.871 4.740 0.003 0.000 0.226 996 N C 1.441 176.894 175.510 -0.094 0.000 1.126 996 N CA 0.035 53.051 53.050 -0.058 0.000 0.846 996 N CB 0.809 39.274 38.487 -0.036 0.000 1.050 996 N HN 0.150 nan 8.380 nan 0.000 0.502 997 L N 0.179 121.287 121.223 -0.192 0.000 2.034 997 L HA 0.153 4.495 4.340 0.003 0.000 0.203 997 L C 0.533 177.298 176.870 -0.176 0.000 1.074 997 L CA 0.516 55.099 54.840 -0.428 0.000 0.748 997 L CB -0.358 41.182 42.059 -0.865 0.000 0.905 997 L HN 0.088 nan 8.230 nan 0.000 0.439 998 L N -0.780 120.387 121.223 -0.092 0.000 0.707 998 L HA -0.260 4.082 4.340 0.003 0.000 0.358 998 L C 0.276 177.272 176.870 0.210 0.000 1.005 998 L CA -0.127 54.746 54.840 0.055 0.000 1.219 998 L CB -0.678 41.407 42.059 0.042 0.000 0.031 998 L HN 0.022 nan 8.230 nan 0.000 0.135 999 V N 2.345 122.356 119.914 0.162 0.000 3.363 999 V HA 0.345 4.467 4.120 0.003 0.000 0.270 999 V C 0.125 176.277 176.094 0.096 0.000 1.667 999 V CA 0.319 62.713 62.300 0.156 0.000 1.034 999 V CB 0.939 32.869 31.823 0.178 0.000 0.857 999 V HN 0.467 nan 8.190 nan 0.000 0.410 1000 L N -0.407 120.865 121.223 0.081 0.000 2.424 1000 L HA 0.594 4.937 4.340 0.003 0.000 0.258 1000 L C 0.071 176.972 176.870 0.051 0.000 0.995 1000 L CA -0.468 54.411 54.840 0.066 0.000 0.821 1000 L CB 2.708 44.807 42.059 0.067 0.000 1.383 1000 L HN -0.093 nan 8.230 nan 0.000 0.410 1001 R N 0.080 120.607 120.500 0.045 0.000 2.616 1001 R HA 0.245 4.588 4.340 0.003 0.000 0.427 1001 R C 0.317 176.635 176.300 0.029 0.000 1.030 1001 R CA -0.321 55.799 56.100 0.034 0.000 1.133 1001 R CB 1.326 31.644 30.300 0.031 0.000 1.444 1001 R HN 0.709 nan 8.270 nan 0.000 0.578 1002 G N 0.529 109.348 108.800 0.032 0.000 2.544 1002 G HA2 -0.015 3.947 3.960 0.003 0.000 0.242 1002 G HA3 -0.015 3.947 3.960 0.003 0.000 0.242 1002 G C 0.141 175.052 174.900 0.018 0.000 1.247 1002 G CA -0.317 44.799 45.100 0.027 0.000 0.840 1002 G HN 0.122 nan 8.290 nan 0.000 0.578 1003 K N -0.087 120.321 120.400 0.014 0.000 2.374 1003 K HA 0.033 4.355 4.320 0.003 0.000 0.196 1003 K C 0.814 177.417 176.600 0.006 0.000 1.023 1003 K CA -0.138 56.154 56.287 0.009 0.000 1.103 1003 K CB -0.058 32.447 32.500 0.007 0.000 0.848 1003 K HN 0.721 nan 8.250 nan 0.000 0.528 1004 N N -0.616 118.089 118.700 0.007 0.000 2.434 1004 N HA -0.035 4.707 4.740 0.003 0.000 0.266 1004 N C 0.712 176.222 175.510 -0.001 0.000 1.223 1004 N CA -0.458 52.594 53.050 0.003 0.000 0.972 1004 N CB 0.872 39.362 38.487 0.005 0.000 1.207 1004 N HN -0.152 nan 8.380 nan 0.000 0.525 1005 E N 0.638 120.835 120.200 -0.006 0.000 2.013 1005 E HA -0.188 4.164 4.350 0.003 0.000 0.202 1005 E C 1.435 178.026 176.600 -0.015 0.000 1.018 1005 E CA 1.767 58.160 56.400 -0.012 0.000 0.834 1005 E CB -0.436 29.256 29.700 -0.015 0.000 0.770 1005 E HN 0.669 nan 8.360 nan 0.000 0.459 1006 I N 0.420 120.980 120.570 -0.018 0.000 2.074 1006 I HA -0.350 3.822 4.170 0.003 0.000 0.238 1006 I C 2.269 178.374 176.117 -0.020 0.000 1.037 1006 I CA 1.375 62.658 61.300 -0.027 0.000 1.301 1006 I CB -0.457 37.526 38.000 -0.027 0.000 1.016 1006 I HN 0.316 nan 8.210 nan 0.000 0.400 1007 I N -0.001 120.567 120.570 -0.002 0.000 2.286 1007 I HA -0.248 3.924 4.170 0.003 0.000 0.248 1007 I C 2.507 178.631 176.117 0.011 0.000 1.115 1007 I CA 1.415 62.722 61.300 0.013 0.000 1.392 1007 I CB -1.308 36.708 38.000 0.027 0.000 1.065 1007 I HN 0.402 nan 8.210 nan 0.000 0.418 1008 Q N 0.512 120.314 119.800 0.003 0.000 2.291 1008 Q HA -0.124 4.218 4.340 0.003 0.000 0.206 1008 Q C 1.793 177.789 176.000 -0.007 0.000 0.976 1008 Q CA 0.899 56.702 55.803 0.000 0.000 0.875 1008 Q CB -0.291 28.445 28.738 -0.004 0.000 0.927 1008 Q HN 0.556 nan 8.270 nan 0.000 0.450 1009 N N -0.628 118.063 118.700 -0.014 0.000 2.395 1009 N HA 0.027 4.769 4.740 0.003 0.000 0.175 1009 N C 1.439 176.939 175.510 -0.018 0.000 1.029 1009 N CA 0.780 53.816 53.050 -0.023 0.000 0.897 1009 N CB 0.255 38.721 38.487 -0.035 0.000 0.991 1009 N HN 0.149 nan 8.380 nan 0.000 0.441 1010 A N 1.457 124.272 122.820 -0.009 0.000 1.841 1010 A HA -0.205 4.117 4.320 0.003 0.000 0.214 1010 A C 2.173 179.773 177.584 0.027 0.000 1.195 1010 A CA 1.703 53.744 52.037 0.006 0.000 0.611 1010 A CB -0.846 18.168 19.000 0.023 0.000 0.835 1010 A HN 0.241 nan 8.150 nan 0.000 0.443 1011 Q N 0.355 120.175 119.800 0.033 0.000 2.156 1011 Q HA -0.244 4.098 4.340 0.003 0.000 0.211 1011 Q C 2.017 178.037 176.000 0.034 0.000 0.995 1011 Q CA 2.471 58.300 55.803 0.044 0.000 0.877 1011 Q CB -0.498 28.261 28.738 0.035 0.000 0.920 1011 Q HN 0.670 nan 8.270 nan 0.000 0.416 1012 R N -0.047 120.459 120.500 0.010 0.000 2.075 1012 R HA -0.106 4.236 4.340 0.003 0.000 0.232 1012 R C 1.914 178.217 176.300 0.005 0.000 1.126 1012 R CA 1.339 57.437 56.100 -0.004 0.000 0.963 1012 R CB -0.306 29.978 30.300 -0.027 0.000 0.858 1012 R HN 0.482 nan 8.270 nan 0.000 0.435 1013 D N 1.019 121.423 120.400 0.007 0.000 2.087 1013 D HA -0.144 4.498 4.640 0.003 0.000 0.192 1013 D C 1.671 178.004 176.300 0.055 0.000 0.993 1013 D CA 1.550 55.559 54.000 0.015 0.000 0.828 1013 D CB -0.341 40.464 40.800 0.009 0.000 0.968 1013 D HN 0.188 nan 8.370 nan 0.000 0.448 1014 A N 0.337 123.199 122.820 0.071 0.000 2.272 1014 A HA -0.039 4.283 4.320 0.003 0.000 0.213 1014 A C 2.008 179.685 177.584 0.156 0.000 1.183 1014 A CA 0.853 52.953 52.037 0.104 0.000 0.719 1014 A CB -0.135 18.930 19.000 0.108 0.000 0.771 1014 A HN 0.186 nan 8.150 nan 0.000 0.484 1015 V N -2.733 117.266 119.914 0.141 0.000 3.562 1015 V HA -0.054 4.068 4.120 0.003 0.000 0.270 1015 V C 2.164 178.361 176.094 0.171 0.000 1.418 1015 V CA 1.075 63.490 62.300 0.191 0.000 1.033 1015 V CB -0.339 31.548 31.823 0.106 0.000 0.820 1015 V HN 0.466 nan 8.190 nan 0.000 0.441 1016 T N 1.770 116.386 114.554 0.104 0.000 2.531 1016 T HA -0.337 4.015 4.350 0.003 0.000 0.261 1016 T C 1.854 176.648 174.700 0.157 0.000 1.141 1016 T CA 2.720 64.866 62.100 0.078 0.000 1.176 1016 T CB -0.418 68.477 68.868 0.044 0.000 0.863 1016 T HN 0.282 nan 8.240 nan 0.000 0.424 1017 L N 0.581 121.938 121.223 0.223 0.000 1.944 1017 L HA -0.075 4.267 4.340 0.003 0.000 0.218 1017 L C 2.104 179.114 176.870 0.233 0.000 1.075 1017 L CA 1.938 56.923 54.840 0.241 0.000 0.767 1017 L CB -1.339 40.843 42.059 0.206 0.000 0.890 1017 L HN 0.310 nan 8.230 nan 0.000 0.434 1018 F N 0.191 120.216 119.950 0.124 0.000 2.045 1018 F HA -0.374 4.155 4.527 0.004 0.000 0.297 1018 F C 2.628 178.479 175.800 0.084 0.000 1.114 1018 F CA 2.031 60.107 58.000 0.127 0.000 1.207 1018 F CB -1.249 37.876 39.000 0.208 0.000 0.964 1018 F HN 0.298 nan 8.300 nan 0.000 0.486 1019 C N 0.087 119.361 119.300 -0.042 0.000 2.385 1019 C HA -0.310 4.152 4.460 0.003 0.000 0.275 1019 C C 3.114 178.020 174.990 -0.139 0.000 1.207 1019 C CA 1.264 60.169 59.018 -0.189 0.000 1.760 1019 C CB -1.887 25.816 27.740 -0.062 0.000 2.051 1019 C HN 0.770 nan 8.230 nan 0.000 0.467 1020 C N -0.087 119.205 119.300 -0.014 0.000 2.398 1020 C HA -0.166 4.296 4.460 0.003 0.000 0.276 1020 C C 2.494 177.476 174.990 -0.015 0.000 1.222 1020 C CA 1.425 60.459 59.018 0.027 0.000 1.746 1020 C CB -1.695 26.121 27.740 0.127 0.000 2.039 1020 C HN 0.696 nan 8.230 nan 0.000 0.470 1021 L N 1.126 122.327 121.223 -0.035 0.000 1.956 1021 L HA -0.143 4.199 4.340 0.003 0.000 0.216 1021 L C 2.378 179.175 176.870 -0.122 0.000 1.073 1021 L CA 2.053 56.866 54.840 -0.046 0.000 0.762 1021 L CB -1.216 40.827 42.059 -0.027 0.000 0.889 1021 L HN 0.302 nan 8.230 nan 0.000 0.433 1022 L N -0.051 120.978 121.223 -0.323 0.000 2.034 1022 L HA -0.293 4.049 4.340 0.003 0.000 0.217 1022 L C 2.709 179.501 176.870 -0.130 0.000 1.077 1022 L CA 2.135 56.778 54.840 -0.328 0.000 0.769 1022 L CB -0.676 41.055 42.059 -0.546 0.000 0.890 1022 L HN 0.348 nan 8.230 nan 0.000 0.435 1023 R N -0.776 119.674 120.500 -0.085 0.000 2.075 1023 R HA -0.101 4.241 4.340 0.003 0.000 0.232 1023 R C 2.469 178.811 176.300 0.072 0.000 1.126 1023 R CA 1.487 57.584 56.100 -0.006 0.000 0.963 1023 R CB -0.555 29.739 30.300 -0.011 0.000 0.858 1023 R HN 0.696 nan 8.270 nan 0.000 0.435 1024 S N 0.544 116.292 115.700 0.079 0.000 2.423 1024 S HA -0.069 4.403 4.470 0.003 0.000 0.231 1024 S C 1.862 176.621 174.600 0.265 0.000 1.014 1024 S CA 0.599 58.929 58.200 0.215 0.000 0.965 1024 S CB -0.016 63.259 63.200 0.124 0.000 0.785 1024 S HN 0.150 nan 8.310 nan 0.000 0.495 1025 R N 1.259 121.836 120.500 0.129 0.000 2.057 1025 R HA 0.323 4.665 4.340 0.003 0.000 0.224 1025 R C 1.358 177.751 176.300 0.154 0.000 1.136 1025 R CA 0.551 56.728 56.100 0.129 0.000 0.968 1025 R CB -1.192 29.149 30.300 0.069 0.000 0.863 1025 R HN 0.420 nan 8.270 nan 0.000 0.433 1026 L N 2.353 123.642 121.223 0.109 0.000 2.873 1026 L HA 0.284 4.626 4.340 0.003 0.000 0.236 1026 L C 0.079 177.038 176.870 0.147 0.000 1.375 1026 L CA -0.525 54.406 54.840 0.152 0.000 1.239 1026 L CB -0.150 41.964 42.059 0.092 0.000 1.603 1026 L HN 0.010 nan 8.230 nan 0.000 0.430 1027 A N -0.492 122.382 122.820 0.088 0.000 2.310 1027 A HA 0.431 4.753 4.320 0.003 0.000 0.299 1027 A C 1.396 178.967 177.584 -0.021 0.000 1.147 1027 A CA -0.350 51.720 52.037 0.054 0.000 0.818 1027 A CB 0.711 19.759 19.000 0.079 0.000 1.096 1027 A HN 0.443 nan 8.150 nan 0.000 0.495 1028 T N 1.941 116.493 114.554 -0.004 0.000 2.567 1028 T HA -0.265 4.087 4.350 0.003 0.000 0.261 1028 T C 2.120 176.760 174.700 -0.100 0.000 1.123 1028 T CA 1.986 64.059 62.100 -0.046 0.000 1.166 1028 T CB -0.331 68.521 68.868 -0.027 0.000 0.860 1028 T HN 0.651 nan 8.240 nan 0.000 0.436 1029 R N 0.890 121.316 120.500 -0.124 0.000 2.148 1029 R HA -0.048 4.294 4.340 0.003 0.000 0.230 1029 R C 2.652 178.803 176.300 -0.248 0.000 1.120 1029 R CA 1.608 57.605 56.100 -0.172 0.000 0.902 1029 R CB -0.868 29.307 30.300 -0.209 0.000 0.839 1029 R HN 0.457 nan 8.270 nan 0.000 0.431 1030 R N -0.228 120.056 120.500 -0.360 0.000 2.196 1030 R HA -0.234 4.108 4.340 0.003 0.000 0.244 1030 R C 2.283 178.188 176.300 -0.658 0.000 1.121 1030 R CA 2.575 58.348 56.100 -0.545 0.000 0.930 1030 R CB -1.138 28.866 30.300 -0.492 0.000 0.890 1030 R HN 0.126 nan 8.270 nan 0.000 0.435 1031 V N 1.278 121.002 119.914 -0.317 0.000 2.278 1031 V HA -0.284 3.838 4.120 0.003 0.000 0.251 1031 V C 2.336 178.385 176.094 -0.075 0.000 1.062 1031 V CA 2.091 64.360 62.300 -0.051 0.000 1.038 1031 V CB -0.452 31.459 31.823 0.147 0.000 0.646 1031 V HN 0.299 nan 8.190 nan 0.000 0.447 1032 L N -1.258 119.894 121.223 -0.120 0.000 2.130 1032 L HA -0.065 4.277 4.340 0.003 0.000 0.200 1032 L C 2.527 179.349 176.870 -0.080 0.000 1.075 1032 L CA 1.495 56.287 54.840 -0.080 0.000 0.768 1032 L CB -0.543 41.468 42.059 -0.080 0.000 0.933 1032 L HN 0.266 nan 8.230 nan 0.000 0.451 1033 Q N -0.075 119.644 119.800 -0.135 0.000 2.163 1033 Q HA -0.116 4.226 4.340 0.003 0.000 0.198 1033 Q C 2.041 177.960 176.000 -0.136 0.000 0.954 1033 Q CA 0.908 56.643 55.803 -0.113 0.000 0.851 1033 Q CB 0.376 29.040 28.738 -0.124 0.000 0.928 1033 Q HN 0.430 nan 8.270 nan 0.000 0.459 1034 E N -0.447 119.580 120.200 -0.288 0.000 2.051 1034 E HA -0.106 4.246 4.350 0.003 0.000 0.189 1034 E C -0.295 176.247 176.600 -0.096 0.000 0.979 1034 E CA 0.784 57.000 56.400 -0.306 0.000 0.803 1034 E CB 0.352 29.717 29.700 -0.557 0.000 0.761 1034 E HN 0.403 nan 8.360 nan 0.000 0.451 1035 Y N -0.978 119.373 120.300 0.086 0.000 2.490 1035 Y HA 0.413 4.965 4.550 0.004 0.000 0.346 1035 Y C -0.495 175.480 175.900 0.126 0.000 1.023 1035 Y CA -1.024 57.177 58.100 0.169 0.000 1.142 1035 Y CB -0.169 38.359 38.460 0.114 0.000 1.126 1035 Y HN -0.252 nan 8.280 nan 0.000 0.647 1036 R N 1.914 122.554 120.500 0.233 0.000 0.838 1036 R HA -0.165 4.177 4.340 0.003 0.000 0.160 1036 R C 0.120 176.449 176.300 0.049 0.000 0.385 1036 R CA 0.443 56.593 56.100 0.084 0.000 0.212 1036 R CB -1.064 29.238 30.300 0.003 0.000 1.754 1036 R HN 0.739 nan 8.270 nan 0.000 0.594 1037 L N 0.067 121.370 121.223 0.134 0.000 2.444 1037 L HA 0.057 4.399 4.340 0.003 0.000 0.251 1037 L C 1.395 178.292 176.870 0.046 0.000 1.247 1037 L CA 0.649 55.559 54.840 0.117 0.000 0.825 1037 L CB 0.165 42.380 42.059 0.259 0.000 1.129 1037 L HN 0.348 nan 8.230 nan 0.000 0.527 1038 T N -3.207 111.359 114.554 0.021 0.000 2.906 1038 T HA 0.253 4.605 4.350 0.003 0.000 0.295 1038 T C 0.391 175.095 174.700 0.006 0.000 1.075 1038 T CA -0.905 61.189 62.100 -0.009 0.000 1.005 1038 T CB 2.019 70.872 68.868 -0.025 0.000 1.136 1038 T HN 0.483 nan 8.240 nan 0.000 0.498 1039 K N 0.862 121.256 120.400 -0.011 0.000 2.144 1039 K HA -0.246 4.076 4.320 0.003 0.000 0.209 1039 K C 2.102 178.730 176.600 0.047 0.000 1.047 1039 K CA 2.420 58.713 56.287 0.010 0.000 0.927 1039 K CB -0.545 31.951 32.500 -0.006 0.000 0.716 1039 K HN 0.762 nan 8.250 nan 0.000 0.454 1040 Q N -0.854 118.938 119.800 -0.014 0.000 1.994 1040 Q HA -0.087 4.255 4.340 0.003 0.000 0.198 1040 Q C 1.950 177.765 176.000 -0.308 0.000 0.976 1040 Q CA 1.568 57.332 55.803 -0.064 0.000 0.828 1040 Q CB -0.325 28.406 28.738 -0.013 0.000 0.894 1040 Q HN 0.381 nan 8.270 nan 0.000 0.432 1041 A N 0.754 123.223 122.820 -0.585 0.000 1.841 1041 A HA -0.233 4.089 4.320 0.003 0.000 0.216 1041 A C 1.922 179.396 177.584 -0.183 0.000 1.199 1041 A CA 1.555 53.078 52.037 -0.857 0.000 0.621 1041 A CB -1.405 17.273 19.000 -0.537 0.000 0.835 1041 A HN 0.621 nan 8.150 nan 0.000 0.445 1042 F N 0.936 120.798 119.950 -0.147 0.000 2.032 1042 F HA -0.345 4.184 4.527 0.004 0.000 0.297 1042 F C 1.961 177.749 175.800 -0.020 0.000 1.125 1042 F CA 2.643 60.616 58.000 -0.045 0.000 1.202 1042 F CB -0.506 38.478 39.000 -0.027 0.000 0.958 1042 F HN 0.334 nan 8.300 nan 0.000 0.491 1043 D N -0.851 119.727 120.400 0.296 0.000 2.172 1043 D HA -0.277 4.365 4.640 0.003 0.000 0.196 1043 D C 1.669 178.025 176.300 0.093 0.000 0.999 1043 D CA 1.672 55.791 54.000 0.199 0.000 0.856 1043 D CB -0.503 40.402 40.800 0.176 0.000 0.934 1043 D HN 0.580 nan 8.370 nan 0.000 0.453 1044 W N 0.506 121.744 121.300 -0.102 0.000 2.408 1044 W HA -0.139 4.523 4.660 0.003 0.000 0.311 1044 W C 2.139 178.604 176.519 -0.089 0.000 1.190 1044 W CA 1.005 58.318 57.345 -0.052 0.000 1.321 1044 W CB -0.704 28.750 29.460 -0.010 0.000 1.143 1044 W HN -0.209 nan 8.180 nan 0.000 0.501 1045 V N 1.851 121.624 119.914 -0.235 0.000 2.363 1045 V HA -0.383 3.739 4.120 0.003 0.000 0.254 1045 V C 2.341 178.161 176.094 -0.457 0.000 1.074 1045 V CA 2.159 64.181 62.300 -0.464 0.000 1.069 1045 V CB -1.225 30.376 31.823 -0.370 0.000 0.659 1045 V HN 0.277 nan 8.190 nan 0.000 0.455 1046 L N -0.210 120.774 121.223 -0.397 0.000 1.961 1046 L HA -0.155 4.187 4.340 0.003 0.000 0.209 1046 L C 2.724 179.465 176.870 -0.216 0.000 1.075 1046 L CA 1.925 56.592 54.840 -0.288 0.000 0.749 1046 L CB -1.117 40.814 42.059 -0.214 0.000 0.890 1046 L HN 0.383 nan 8.230 nan 0.000 0.433 1047 S N 0.071 115.669 115.700 -0.170 0.000 2.421 1047 S HA -0.301 4.171 4.470 0.003 0.000 0.239 1047 S C 1.926 176.411 174.600 -0.193 0.000 1.054 1047 S CA 2.092 60.216 58.200 -0.127 0.000 1.035 1047 S CB -0.522 62.639 63.200 -0.063 0.000 0.840 1047 S HN 0.450 nan 8.310 nan 0.000 0.475 1048 N N 0.967 119.446 118.700 -0.368 0.000 2.051 1048 N HA -0.054 4.688 4.740 0.003 0.000 0.192 1048 N C 1.880 177.260 175.510 -0.216 0.000 1.049 1048 N CA 1.883 54.683 53.050 -0.417 0.000 0.845 1048 N CB -0.511 37.495 38.487 -0.801 0.000 1.031 1048 N HN 0.529 nan 8.380 nan 0.000 0.425 1049 I N 1.590 122.050 120.570 -0.185 0.000 2.091 1049 I HA -0.354 3.818 4.170 0.003 0.000 0.240 1049 I C 2.546 178.692 176.117 0.049 0.000 1.046 1049 I CA 1.710 62.996 61.300 -0.024 0.000 1.306 1049 I CB -0.682 37.322 38.000 0.007 0.000 1.018 1049 I HN 0.405 nan 8.210 nan 0.000 0.404 1050 E N 1.320 121.523 120.200 0.004 0.000 2.072 1050 E HA -0.364 3.988 4.350 0.003 0.000 0.218 1050 E C 2.160 178.802 176.600 0.070 0.000 1.051 1050 E CA 2.217 58.637 56.400 0.032 0.000 0.880 1050 E CB -0.253 29.438 29.700 -0.014 0.000 0.783 1050 E HN 0.474 nan 8.360 nan 0.000 0.473 1051 A N 0.639 123.465 122.820 0.010 0.000 1.869 1051 A HA -0.338 3.984 4.320 0.003 0.000 0.218 1051 A C 2.246 179.836 177.584 0.009 0.000 1.203 1051 A CA 2.287 54.327 52.037 0.005 0.000 0.638 1051 A CB -1.018 17.969 19.000 -0.022 0.000 0.831 1051 A HN 0.536 nan 8.150 nan 0.000 0.450 1052 Q N -1.947 117.851 119.800 -0.003 0.000 2.062 1052 Q HA -0.247 4.095 4.340 0.003 0.000 0.209 1052 Q C 1.966 177.942 176.000 -0.040 0.000 0.996 1052 Q CA 1.958 57.748 55.803 -0.021 0.000 0.859 1052 Q CB -0.395 28.337 28.738 -0.010 0.000 0.920 1052 Q HN 0.721 nan 8.270 nan 0.000 0.415 1053 F N 1.361 121.243 119.950 -0.113 0.000 2.027 1053 F HA -0.302 4.227 4.527 0.004 0.000 0.297 1053 F C 2.040 177.750 175.800 -0.149 0.000 1.129 1053 F CA 1.770 59.663 58.000 -0.178 0.000 1.195 1053 F CB -0.457 38.461 39.000 -0.136 0.000 0.960 1053 F HN 0.000 nan 8.300 nan 0.000 0.485 1054 L N 0.019 121.335 121.223 0.155 0.000 2.197 1054 L HA -0.285 4.057 4.340 0.003 0.000 0.215 1054 L C 2.411 179.211 176.870 -0.117 0.000 1.095 1054 L CA 1.472 56.339 54.840 0.044 0.000 0.764 1054 L CB -0.727 41.371 42.059 0.066 0.000 0.897 1054 L HN 0.210 nan 8.230 nan 0.000 0.436 1055 R N -1.145 119.258 120.500 -0.162 0.000 2.246 1055 R HA 0.053 4.395 4.340 0.003 0.000 0.199 1055 R C 1.962 177.997 176.300 -0.443 0.000 0.984 1055 R CA 0.627 56.582 56.100 -0.240 0.000 1.015 1055 R CB -0.023 30.151 30.300 -0.211 0.000 0.930 1055 R HN 0.223 nan 8.270 nan 0.000 0.475 1056 S N 0.720 116.162 115.700 -0.429 0.000 2.593 1056 S HA 0.075 4.547 4.470 0.003 0.000 0.217 1056 S C 0.717 175.137 174.600 -0.300 0.000 0.966 1056 S CA -0.133 57.820 58.200 -0.412 0.000 0.914 1056 S CB 0.245 63.211 63.200 -0.391 0.000 0.776 1056 S HN -0.029 nan 8.310 nan 0.000 0.523 1057 V N 2.083 121.831 119.914 -0.277 0.000 2.775 1057 V HA 0.203 4.325 4.120 0.003 0.000 0.299 1057 V C 0.772 176.889 176.094 0.040 0.000 1.062 1057 V CA -0.798 61.411 62.300 -0.150 0.000 1.063 1057 V CB 0.554 32.299 31.823 -0.129 0.000 0.994 1057 V HN 0.030 nan 8.190 nan 0.000 0.483 1058 V N 3.261 123.229 119.914 0.090 0.000 2.924 1058 V HA 0.107 4.229 4.120 0.003 0.000 0.305 1058 V C 0.364 176.574 176.094 0.193 0.000 1.073 1058 V CA -0.169 62.242 62.300 0.184 0.000 1.098 1058 V CB 0.115 32.075 31.823 0.228 0.000 1.000 1058 V HN 0.841 nan 8.190 nan 0.000 0.484 1059 H N 3.637 122.673 119.070 -0.058 0.000 2.489 1059 H HA 0.272 4.830 4.556 0.003 0.000 0.322 1059 H C -2.364 172.850 175.328 -0.189 0.000 1.091 1059 H CA -2.129 53.852 56.048 -0.111 0.000 1.291 1059 H CB 1.558 31.267 29.762 -0.089 0.000 1.436 1059 H HN 0.452 nan 8.280 nan 0.000 0.480 1060 P HA -0.025 nan 4.420 nan 0.000 0.262 1060 P C 0.840 177.925 177.300 -0.358 0.000 1.199 1060 P CA 1.010 63.846 63.100 -0.439 0.000 0.763 1060 P CB 0.678 31.775 31.700 -1.005 0.000 0.790 1061 G N 2.433 111.075 108.800 -0.264 0.000 2.905 1061 G HA2 -0.158 3.804 3.960 0.003 0.000 0.196 1061 G HA3 -0.158 3.804 3.960 0.003 0.000 0.196 1061 G C 0.043 174.856 174.900 -0.145 0.000 1.044 1061 G CA -0.535 44.473 45.100 -0.153 0.000 0.778 1061 G HN 0.454 nan 8.290 nan 0.000 0.474 1062 E N 2.029 122.144 120.200 -0.143 0.000 2.729 1062 E HA 0.071 4.423 4.350 0.003 0.000 0.246 1062 E C 0.590 177.066 176.600 -0.207 0.000 0.984 1062 E CA 0.406 56.713 56.400 -0.155 0.000 0.951 1062 E CB 0.163 29.766 29.700 -0.163 0.000 0.914 1062 E HN 0.256 nan 8.360 nan 0.000 0.509 1063 M N 5.030 124.532 119.600 -0.164 0.000 3.237 1063 M HA 0.009 4.491 4.480 0.003 0.000 0.266 1063 M C 1.077 177.273 176.300 -0.174 0.000 1.456 1063 M CA -0.187 55.015 55.300 -0.163 0.000 1.593 1063 M CB -0.483 32.047 32.600 -0.117 0.000 1.129 1063 M HN 0.165 nan 8.290 nan 0.000 0.547 1064 V N 0.973 120.727 119.914 -0.266 0.000 2.594 1064 V HA -0.173 3.949 4.120 0.003 0.000 0.253 1064 V C 2.344 178.356 176.094 -0.136 0.000 1.069 1064 V CA 2.040 64.177 62.300 -0.270 0.000 1.082 1064 V CB -1.440 30.043 31.823 -0.568 0.000 0.680 1064 V HN 0.811 nan 8.190 nan 0.000 0.469 1065 G N 0.689 109.406 108.800 -0.138 0.000 2.628 1065 G HA2 -0.259 3.703 3.960 0.003 0.000 0.217 1065 G HA3 -0.259 3.703 3.960 0.003 0.000 0.217 1065 G C 1.634 176.481 174.900 -0.087 0.000 1.240 1065 G CA 1.620 46.655 45.100 -0.107 0.000 0.792 1065 G HN 0.363 nan 8.290 nan 0.000 0.593 1066 V N 0.970 120.831 119.914 -0.088 0.000 2.237 1066 V HA -0.160 3.962 4.120 0.003 0.000 0.245 1066 V C 2.730 178.794 176.094 -0.050 0.000 1.046 1066 V CA 1.784 64.040 62.300 -0.074 0.000 1.007 1066 V CB -0.767 31.014 31.823 -0.070 0.000 0.638 1066 V HN 0.361 nan 8.190 nan 0.000 0.445 1067 L N 0.453 121.653 121.223 -0.038 0.000 2.171 1067 L HA -0.293 4.049 4.340 0.003 0.000 0.216 1067 L C 2.177 179.075 176.870 0.046 0.000 1.084 1067 L CA 2.609 57.451 54.840 0.004 0.000 0.771 1067 L CB -0.663 41.419 42.059 0.037 0.000 0.890 1067 L HN 0.297 nan 8.230 nan 0.000 0.437 1068 A N -1.250 121.623 122.820 0.089 0.000 1.862 1068 A HA 0.191 4.513 4.320 0.003 0.000 0.211 1068 A C 2.447 180.016 177.584 -0.024 0.000 1.220 1068 A CA 1.181 53.309 52.037 0.151 0.000 0.616 1068 A CB -1.219 17.886 19.000 0.176 0.000 0.878 1068 A HN 0.519 nan 8.150 nan 0.000 0.453 1069 A N -0.054 122.737 122.820 -0.049 0.000 1.909 1069 A HA -0.355 3.967 4.320 0.003 0.000 0.221 1069 A C 2.129 179.661 177.584 -0.088 0.000 1.223 1069 A CA 2.265 54.251 52.037 -0.085 0.000 0.658 1069 A CB -0.904 18.034 19.000 -0.105 0.000 0.831 1069 A HN 0.688 nan 8.150 nan 0.000 0.462 1070 Q N -0.821 118.932 119.800 -0.079 0.000 2.079 1070 Q HA -0.092 4.250 4.340 0.003 0.000 0.200 1070 Q C 2.360 178.307 176.000 -0.087 0.000 0.974 1070 Q CA 1.506 57.269 55.803 -0.066 0.000 0.840 1070 Q CB -0.262 28.463 28.738 -0.022 0.000 0.898 1070 Q HN 0.645 nan 8.270 nan 0.000 0.430 1071 S N 0.638 116.235 115.700 -0.171 0.000 2.465 1071 S HA -0.101 4.371 4.470 0.003 0.000 0.241 1071 S C 1.771 176.235 174.600 -0.226 0.000 1.000 1071 S CA 0.926 58.944 58.200 -0.303 0.000 0.964 1071 S CB -0.086 62.610 63.200 -0.839 0.000 0.763 1071 S HN 0.308 nan 8.310 nan 0.000 0.512 1072 I N -0.010 120.464 120.570 -0.161 0.000 3.172 1072 I HA 0.106 4.278 4.170 0.003 0.000 0.278 1072 I C 2.600 178.652 176.117 -0.109 0.000 1.174 1072 I CA 0.567 61.790 61.300 -0.129 0.000 1.445 1072 I CB -0.691 37.247 38.000 -0.105 0.000 1.175 1072 I HN 0.311 nan 8.210 nan 0.000 0.447 1073 G N 0.821 109.559 108.800 -0.102 0.000 2.418 1073 G HA2 -0.234 3.728 3.960 0.003 0.000 0.217 1073 G HA3 -0.234 3.728 3.960 0.003 0.000 0.217 1073 G C 1.497 176.329 174.900 -0.113 0.000 1.158 1073 G CA 0.525 45.568 45.100 -0.094 0.000 0.771 1073 G HN 0.234 nan 8.290 nan 0.000 0.545 1074 E N 0.984 121.096 120.200 -0.146 0.000 2.000 1074 E HA -0.107 4.245 4.350 0.003 0.000 0.199 1074 E C 0.066 176.577 176.600 -0.148 0.000 1.011 1074 E CA 1.506 57.778 56.400 -0.214 0.000 0.836 1074 E CB -1.003 28.494 29.700 -0.339 0.000 0.778 1074 E HN 0.287 nan 8.360 nan 0.000 0.462 1075 P HA -0.145 nan 4.420 nan 0.000 0.225 1075 P C 0.715 177.963 177.300 -0.086 0.000 1.141 1075 P CA 1.531 64.577 63.100 -0.090 0.000 0.774 1075 P CB -0.093 31.553 31.700 -0.090 0.000 0.760 1076 A N 0.062 122.828 122.820 -0.089 0.000 1.935 1076 A HA -0.017 4.305 4.320 0.003 0.000 0.214 1076 A C 1.921 179.469 177.584 -0.061 0.000 1.178 1076 A CA 1.406 53.401 52.037 -0.071 0.000 0.640 1076 A CB -1.449 17.512 19.000 -0.065 0.000 0.825 1076 A HN 0.223 nan 8.150 nan 0.000 0.447 1077 T N 0.141 114.651 114.554 -0.073 0.000 3.361 1077 T HA 0.064 4.416 4.350 0.003 0.000 0.251 1077 T C 0.938 175.600 174.700 -0.064 0.000 1.131 1077 T CA 0.487 62.548 62.100 -0.066 0.000 1.001 1077 T CB 0.015 68.834 68.868 -0.081 0.000 1.003 1077 T HN 0.397 nan 8.240 nan 0.000 0.558 1078 Q N 0.125 119.888 119.800 -0.061 0.000 2.189 1078 Q HA 0.350 4.692 4.340 0.003 0.000 0.223 1078 Q C 0.244 176.221 176.000 -0.039 0.000 0.828 1078 Q CA 0.138 55.911 55.803 -0.051 0.000 0.967 1078 Q CB 0.453 29.159 28.738 -0.054 0.000 1.139 1078 Q HN 0.568 nan 8.270 nan 0.000 0.497 1079 M N 1.196 120.773 119.600 -0.039 0.000 2.144 1079 M HA 0.339 4.821 4.480 0.003 0.000 0.356 1079 M C -0.635 175.652 176.300 -0.022 0.000 1.217 1079 M CA 0.433 55.715 55.300 -0.030 0.000 1.087 1079 M CB 1.391 33.971 32.600 -0.033 0.000 1.609 1079 M HN -0.234 nan 8.290 nan 0.000 0.467 1080 T N 3.725 118.270 114.554 -0.016 0.000 3.767 1080 T HA 0.436 4.788 4.350 0.003 0.000 0.360 1080 T C -0.764 173.932 174.700 -0.005 0.000 1.181 1080 T CA -0.688 61.405 62.100 -0.011 0.000 1.110 1080 T CB 1.369 70.230 68.868 -0.012 0.000 1.201 1080 T HN 0.519 nan 8.240 nan 0.000 0.474 1093 K N 1.598 122.014 120.400 0.026 0.000 3.084 1093 K HA 0.301 4.623 4.320 0.003 0.000 0.172 1093 K C -0.662 175.958 176.600 0.034 0.000 1.078 1093 K CA -0.344 55.958 56.287 0.024 0.000 0.875 1093 K CB 1.571 34.082 32.500 0.019 0.000 1.064 1093 K HN -0.108 nan 8.250 nan 0.000 0.597 1094 V N -0.082 119.854 119.914 0.037 0.000 3.074 1094 V HA 0.352 4.474 4.120 0.003 0.000 0.314 1094 V C 0.210 176.328 176.094 0.041 0.000 1.117 1094 V CA -0.966 61.361 62.300 0.047 0.000 1.014 1094 V CB 2.217 34.077 31.823 0.061 0.000 1.057 1094 V HN 0.285 nan 8.190 nan 0.000 0.438 1095 T N 2.951 117.533 114.554 0.046 0.000 2.738 1095 T HA 0.461 4.813 4.350 0.003 0.000 0.294 1095 T C 0.249 174.973 174.700 0.041 0.000 0.914 1095 T CA -0.012 62.113 62.100 0.042 0.000 1.052 1095 T CB 0.214 69.111 68.868 0.047 0.000 0.897 1095 T HN 0.966 nan 8.240 nan 0.000 0.522 1096 S N 2.585 118.303 115.700 0.029 0.000 2.874 1096 S HA 0.940 5.412 4.470 0.003 0.000 0.318 1096 S C 0.587 175.194 174.600 0.012 0.000 1.109 1096 S CA -0.393 57.819 58.200 0.020 0.000 0.878 1096 S CB 0.840 64.049 63.200 0.014 0.000 1.307 1096 S HN 1.138 nan 8.310 nan 0.000 0.592 1097 G N -0.283 108.516 108.800 -0.001 0.000 2.914 1097 G HA2 -0.147 3.815 3.960 0.003 0.000 0.254 1097 G HA3 -0.147 3.815 3.960 0.003 0.000 0.254 1097 G C 0.664 175.564 174.900 -0.000 0.000 1.449 1097 G CA -0.193 44.903 45.100 -0.007 0.000 0.925 1097 G HN 1.563 nan 8.290 nan 0.000 0.555 1098 V N 2.027 121.940 119.914 -0.003 0.000 2.279 1098 V HA -0.348 3.774 4.120 0.003 0.000 0.258 1098 V C 1.155 177.261 176.094 0.021 0.000 1.078 1098 V CA 3.724 66.028 62.300 0.007 0.000 1.096 1098 V CB -1.842 29.985 31.823 0.007 0.000 0.740 1098 V HN 0.912 nan 8.190 nan 0.000 0.465 1099 P HA -0.275 nan 4.420 nan 0.000 0.216 1099 P C 1.582 178.908 177.300 0.043 0.000 1.167 1099 P CA 2.549 65.668 63.100 0.033 0.000 0.914 1099 P CB -0.224 31.493 31.700 0.027 0.000 0.793 1100 R N 0.368 120.891 120.500 0.038 0.000 2.080 1100 R HA -0.141 4.201 4.340 0.003 0.000 0.236 1100 R C 2.477 178.803 176.300 0.043 0.000 1.137 1100 R CA 1.514 57.642 56.100 0.047 0.000 0.943 1100 R CB -1.907 28.417 30.300 0.039 0.000 0.846 1100 R HN 0.130 nan 8.270 nan 0.000 0.431 1101 L N 1.074 122.309 121.223 0.020 0.000 2.081 1101 L HA -0.178 4.164 4.340 0.003 0.000 0.212 1101 L C 2.241 179.131 176.870 0.034 0.000 1.080 1101 L CA 2.224 57.067 54.840 0.006 0.000 0.754 1101 L CB -0.588 41.464 42.059 -0.011 0.000 0.893 1101 L HN 0.361 nan 8.230 nan 0.000 0.433 1102 K N -0.556 119.876 120.400 0.053 0.000 2.025 1102 K HA -0.245 4.077 4.320 0.003 0.000 0.207 1102 K C 2.124 178.785 176.600 0.100 0.000 1.049 1102 K CA 1.625 57.961 56.287 0.081 0.000 0.933 1102 K CB -0.189 32.360 32.500 0.082 0.000 0.714 1102 K HN 0.476 nan 8.250 nan 0.000 0.438 1103 E N 0.728 120.986 120.200 0.098 0.000 2.065 1103 E HA -0.237 4.115 4.350 0.003 0.000 0.201 1103 E C 1.934 178.645 176.600 0.185 0.000 1.016 1103 E CA 2.119 58.595 56.400 0.127 0.000 0.818 1103 E CB -0.112 29.661 29.700 0.120 0.000 0.749 1103 E HN 0.313 nan 8.360 nan 0.000 0.453 1104 I N 0.473 121.142 120.570 0.166 0.000 2.045 1104 I HA -0.352 3.820 4.170 0.003 0.000 0.233 1104 I C 2.493 178.723 176.117 0.188 0.000 1.048 1104 I CA 1.281 62.689 61.300 0.181 0.000 1.313 1104 I CB -0.553 37.419 38.000 -0.047 0.000 1.043 1104 I HN 0.223 nan 8.210 nan 0.000 0.393 1105 L N 0.687 121.967 121.223 0.094 0.000 2.103 1105 L HA -0.299 4.043 4.340 0.003 0.000 0.215 1105 L C 2.208 179.160 176.870 0.136 0.000 1.080 1105 L CA 1.429 56.322 54.840 0.090 0.000 0.764 1105 L CB -0.853 41.237 42.059 0.053 0.000 0.890 1105 L HN 0.430 nan 8.230 nan 0.000 0.435 1106 N N -0.432 118.360 118.700 0.152 0.000 2.409 1106 N HA -0.044 4.699 4.740 0.003 0.000 0.179 1106 N C 0.754 176.366 175.510 0.170 0.000 1.032 1106 N CA 0.826 53.970 53.050 0.158 0.000 0.898 1106 N CB 0.404 38.982 38.487 0.151 0.000 0.971 1106 N HN 0.101 nan 8.380 nan 0.000 0.441 1107 V N -0.054 119.989 119.914 0.215 0.000 6.086 1107 V HA -0.253 3.869 4.120 0.003 0.000 0.331 1107 V C 0.635 176.774 176.094 0.075 0.000 0.467 1107 V CA 0.239 62.656 62.300 0.194 0.000 0.678 1107 V CB -2.864 29.048 31.823 0.148 0.000 0.318 1107 V HN 0.411 nan 8.190 nan 0.000 1.180 1108 A N 0.065 122.944 122.820 0.100 0.000 2.448 1108 A HA 0.559 4.881 4.320 0.003 0.000 0.239 1108 A C 1.055 178.624 177.584 -0.025 0.000 1.080 1108 A CA 1.014 53.082 52.037 0.051 0.000 0.779 1108 A CB 0.413 19.459 19.000 0.077 0.000 1.026 1108 A HN 0.635 nan 8.150 nan 0.000 0.499 1109 K N -0.270 120.115 120.400 -0.025 0.000 2.391 1109 K HA 0.106 4.428 4.320 0.003 0.000 0.197 1109 K C 0.146 176.727 176.600 -0.032 0.000 1.087 1109 K CA 0.694 56.947 56.287 -0.057 0.000 1.012 1109 K CB 0.284 32.753 32.500 -0.052 0.000 0.925 1109 K HN 0.688 nan 8.250 nan 0.000 0.547 1110 N N 2.494 121.191 118.700 -0.006 0.000 2.455 1110 N HA 0.080 4.822 4.740 0.003 0.000 0.258 1110 N C -0.149 175.371 175.510 0.017 0.000 1.158 1110 N CA -0.074 52.978 53.050 0.003 0.000 0.893 1110 N CB 0.017 38.509 38.487 0.009 0.000 1.173 1110 N HN 0.354 nan 8.380 nan 0.000 0.503 1111 M N -0.949 118.664 119.600 0.022 0.000 2.248 1111 M HA 0.057 4.539 4.480 0.003 0.000 0.343 1111 M C 0.695 177.016 176.300 0.035 0.000 1.243 1111 M CA 0.513 55.839 55.300 0.044 0.000 1.025 1111 M CB 0.757 33.395 32.600 0.063 0.000 1.759 1111 M HN -0.153 nan 8.290 nan 0.000 0.452 1112 K N 1.371 121.795 120.400 0.040 0.000 2.062 1112 K HA 0.021 4.343 4.320 0.003 0.000 0.205 1112 K C 0.286 176.906 176.600 0.034 0.000 1.051 1112 K CA 1.254 57.560 56.287 0.032 0.000 0.941 1112 K CB 0.060 32.579 32.500 0.032 0.000 0.719 1112 K HN 0.761 nan 8.250 nan 0.000 0.440 1113 T N 3.171 117.752 114.554 0.045 0.000 3.254 1113 T HA 0.139 4.491 4.350 0.003 0.000 0.385 1113 T C -2.045 172.688 174.700 0.055 0.000 1.528 1113 T CA -1.463 60.665 62.100 0.047 0.000 1.212 1113 T CB 1.385 70.284 68.868 0.053 0.000 1.145 1113 T HN 0.048 nan 8.240 nan 0.000 0.631 1114 P HA -0.047 nan 4.420 nan 0.000 0.202 1114 P C 0.437 177.762 177.300 0.042 0.000 1.189 1114 P CA 0.575 63.697 63.100 0.036 0.000 0.921 1114 P CB 0.010 31.719 31.700 0.016 0.000 0.756 1115 S N -1.809 113.912 115.700 0.036 0.000 3.400 1115 S HA -0.160 4.312 4.470 0.003 0.000 0.854 1115 S C -0.847 173.776 174.600 0.037 0.000 1.167 1115 S CA -0.157 58.070 58.200 0.044 0.000 0.985 1115 S CB -1.118 62.125 63.200 0.072 0.000 0.666 1115 S HN 0.344 nan 8.310 nan 0.000 0.276 1116 L N 4.036 125.283 121.223 0.041 0.000 2.410 1116 L HA 0.710 5.052 4.340 0.003 0.000 0.270 1116 L C -0.169 176.735 176.870 0.057 0.000 0.983 1116 L CA 0.052 54.916 54.840 0.040 0.000 0.822 1116 L CB 2.369 44.442 42.059 0.024 0.000 1.285 1116 L HN 0.758 nan 8.230 nan 0.000 0.409 1117 T N 4.299 118.917 114.554 0.108 0.000 2.821 1117 T HA 0.530 4.882 4.350 0.003 0.000 0.307 1117 T C -0.303 174.387 174.700 -0.017 0.000 1.034 1117 T CA -0.433 61.691 62.100 0.040 0.000 0.953 1117 T CB 0.737 69.716 68.868 0.184 0.000 0.968 1117 T HN 0.464 nan 8.240 nan 0.000 0.462 1118 V N 1.757 121.585 119.914 -0.142 0.000 2.716 1118 V HA 0.782 4.904 4.120 0.003 0.000 0.304 1118 V C -1.261 174.661 176.094 -0.287 0.000 1.053 1118 V CA -0.910 61.350 62.300 -0.068 0.000 0.984 1118 V CB 0.707 32.526 31.823 -0.006 0.000 1.021 1118 V HN 0.671 nan 8.190 nan 0.000 0.467 1119 Y N 2.180 122.497 120.300 0.029 0.000 2.524 1119 Y HA 0.758 5.310 4.550 0.003 0.000 0.344 1119 Y C -0.128 175.802 175.900 0.050 0.000 1.012 1119 Y CA -1.227 56.891 58.100 0.029 0.000 1.068 1119 Y CB 1.555 40.039 38.460 0.041 0.000 1.249 1119 Y HN 0.521 nan 8.280 nan 0.000 0.468 1120 L N 1.136 122.487 121.223 0.214 0.000 2.439 1120 L HA 0.211 4.553 4.340 0.003 0.000 0.261 1120 L C 0.462 177.431 176.870 0.165 0.000 1.153 1120 L CA -0.535 54.406 54.840 0.168 0.000 0.808 1120 L CB 0.257 42.420 42.059 0.173 0.000 1.126 1120 L HN 0.592 nan 8.230 nan 0.000 0.460 1121 E N 2.450 122.745 120.200 0.157 0.000 2.452 1121 E HA -0.062 4.290 4.350 0.003 0.000 0.261 1121 E C -1.517 175.151 176.600 0.113 0.000 0.987 1121 E CA -0.969 55.517 56.400 0.142 0.000 0.926 1121 E CB 0.551 30.367 29.700 0.194 0.000 0.934 1121 E HN 0.391 nan 8.360 nan 0.000 0.452 1122 P HA -0.325 nan 4.420 nan 0.000 0.216 1122 P C 1.131 178.429 177.300 -0.003 0.000 1.062 1122 P CA 2.066 65.182 63.100 0.026 0.000 0.995 1122 P CB -0.064 31.637 31.700 0.002 0.000 0.762 1123 G N -0.558 108.196 108.800 -0.077 0.000 2.586 1123 G HA2 -0.246 3.716 3.960 0.003 0.000 0.218 1123 G HA3 -0.246 3.716 3.960 0.003 0.000 0.218 1123 G C 0.560 175.349 174.900 -0.184 0.000 1.216 1123 G CA 0.839 45.822 45.100 -0.194 0.000 0.786 1123 G HN 0.425 nan 8.290 nan 0.000 0.583 1124 H N 1.358 120.455 119.070 0.045 0.000 3.629 1124 H HA 0.367 4.925 4.556 0.003 0.000 0.245 1124 H C 1.120 176.498 175.328 0.084 0.000 1.599 1124 H CA 0.420 56.501 56.048 0.055 0.000 1.557 1124 H CB -0.191 29.596 29.762 0.042 0.000 1.823 1124 H HN 0.347 nan 8.280 nan 0.000 0.614 1125 A N 0.983 123.891 122.820 0.147 0.000 2.431 1125 A HA 0.446 4.768 4.320 0.003 0.000 0.239 1125 A C 1.874 179.576 177.584 0.198 0.000 1.230 1125 A CA 0.535 52.668 52.037 0.160 0.000 0.928 1125 A CB 0.545 19.607 19.000 0.102 0.000 1.006 1125 A HN 0.561 nan 8.150 nan 0.000 0.520 1126 A N -0.886 122.057 122.820 0.204 0.000 2.141 1126 A HA 0.237 4.559 4.320 0.003 0.000 0.201 1126 A C 0.040 177.788 177.584 0.272 0.000 1.344 1126 A CA -0.015 52.168 52.037 0.244 0.000 0.971 1126 A CB 0.130 19.220 19.000 0.150 0.000 1.035 1126 A HN 0.190 nan 8.150 nan 0.000 0.480 1127 D N 1.647 122.158 120.400 0.185 0.000 2.422 1127 D HA 0.002 4.644 4.640 0.003 0.000 0.283 1127 D C 1.300 177.583 176.300 -0.029 0.000 1.428 1127 D CA 0.539 54.593 54.000 0.090 0.000 1.117 1127 D CB 0.902 41.754 40.800 0.087 0.000 1.120 1127 D HN 0.551 nan 8.370 nan 0.000 0.543 1128 Q N 2.752 122.494 119.800 -0.096 0.000 2.268 1128 Q HA -0.260 4.082 4.340 0.003 0.000 0.210 1128 Q C 1.556 177.250 176.000 -0.509 0.000 0.988 1128 Q CA 1.790 57.283 55.803 -0.517 0.000 0.883 1128 Q CB 0.071 28.652 28.738 -0.263 0.000 0.911 1128 Q HN 0.613 nan 8.270 nan 0.000 0.430 1129 E N -0.512 119.534 120.200 -0.257 0.000 2.014 1129 E HA -0.271 4.081 4.350 0.003 0.000 0.190 1129 E C 1.994 178.480 176.600 -0.190 0.000 0.980 1129 E CA 0.956 57.231 56.400 -0.208 0.000 0.807 1129 E CB -0.236 29.388 29.700 -0.127 0.000 0.770 1129 E HN 0.503 nan 8.360 nan 0.000 0.451 1130 Q N 0.707 120.425 119.800 -0.138 0.000 2.250 1130 Q HA -0.308 4.034 4.340 0.003 0.000 0.215 1130 Q C 1.725 177.654 176.000 -0.118 0.000 1.002 1130 Q CA 2.674 58.405 55.803 -0.120 0.000 0.910 1130 Q CB -0.490 28.200 28.738 -0.081 0.000 0.939 1130 Q HN 0.357 nan 8.270 nan 0.000 0.416 1131 A N 0.101 122.829 122.820 -0.153 0.000 1.872 1131 A HA -0.165 4.157 4.320 0.003 0.000 0.214 1131 A C 1.967 179.451 177.584 -0.166 0.000 1.187 1131 A CA 1.555 53.509 52.037 -0.139 0.000 0.614 1131 A CB -0.484 18.413 19.000 -0.171 0.000 0.826 1131 A HN 0.448 nan 8.150 nan 0.000 0.442 1132 K N -0.181 120.077 120.400 -0.237 0.000 2.077 1132 K HA -0.209 4.113 4.320 0.003 0.000 0.213 1132 K C 1.862 178.371 176.600 -0.152 0.000 1.051 1132 K CA 1.812 57.971 56.287 -0.213 0.000 0.929 1132 K CB -0.619 31.746 32.500 -0.225 0.000 0.715 1132 K HN 0.501 nan 8.250 nan 0.000 0.451 1133 L N 0.753 121.897 121.223 -0.131 0.000 1.943 1133 L HA -0.235 4.107 4.340 0.003 0.000 0.215 1133 L C 2.395 179.217 176.870 -0.079 0.000 1.074 1133 L CA 1.474 56.254 54.840 -0.100 0.000 0.759 1133 L CB -0.681 41.322 42.059 -0.094 0.000 0.888 1133 L HN 0.195 nan 8.230 nan 0.000 0.433 1134 I N -0.371 120.157 120.570 -0.070 0.000 2.479 1134 I HA -0.327 3.845 4.170 0.003 0.000 0.258 1134 I C 2.816 178.910 176.117 -0.039 0.000 1.165 1134 I CA 1.079 62.352 61.300 -0.045 0.000 1.422 1134 I CB -0.541 37.440 38.000 -0.031 0.000 1.087 1134 I HN 0.380 nan 8.210 nan 0.000 0.441 1135 R N 1.582 122.047 120.500 -0.059 0.000 2.064 1135 R HA -0.166 4.176 4.340 0.003 0.000 0.228 1135 R C 2.523 178.805 176.300 -0.030 0.000 1.144 1135 R CA 2.304 58.377 56.100 -0.046 0.000 0.932 1135 R CB -0.366 29.880 30.300 -0.090 0.000 0.833 1135 R HN 0.377 nan 8.270 nan 0.000 0.429 1136 S N 0.761 116.427 115.700 -0.056 0.000 2.382 1136 S HA -0.064 4.408 4.470 0.003 0.000 0.228 1136 S C 2.267 176.850 174.600 -0.029 0.000 1.027 1136 S CA 0.901 59.075 58.200 -0.043 0.000 0.991 1136 S CB -0.397 62.762 63.200 -0.068 0.000 0.823 1136 S HN 0.532 nan 8.310 nan 0.000 0.469 1137 A N 1.638 124.439 122.820 -0.032 0.000 1.972 1137 A HA 0.067 4.389 4.320 0.003 0.000 0.219 1137 A C 2.138 179.720 177.584 -0.004 0.000 1.169 1137 A CA 1.408 53.431 52.037 -0.023 0.000 0.635 1137 A CB -0.624 18.360 19.000 -0.027 0.000 0.810 1137 A HN 0.593 nan 8.150 nan 0.000 0.446 1138 I N -1.257 119.316 120.570 0.004 0.000 2.499 1138 I HA -0.013 4.159 4.170 0.003 0.000 0.243 1138 I C 1.154 177.298 176.117 0.045 0.000 1.085 1138 I CA 0.044 61.358 61.300 0.022 0.000 1.422 1138 I CB -0.323 37.688 38.000 0.019 0.000 1.165 1138 I HN 0.318 nan 8.210 nan 0.000 0.440 1139 E N 2.518 122.746 120.200 0.046 0.000 2.752 1139 E HA -0.203 4.149 4.350 0.003 0.000 0.241 1139 E C 0.074 176.725 176.600 0.085 0.000 1.016 1139 E CA 0.073 56.517 56.400 0.073 0.000 0.952 1139 E CB 0.017 29.767 29.700 0.083 0.000 0.921 1139 E HN 0.164 nan 8.360 nan 0.000 0.515 1140 H N 3.298 122.372 119.070 0.005 0.000 2.998 1140 H HA 0.006 4.564 4.556 0.003 0.000 0.353 1140 H C -0.929 174.398 175.328 -0.001 0.000 1.099 1140 H CA 1.024 57.071 56.048 -0.002 0.000 1.393 1140 H CB 0.672 30.431 29.762 -0.004 0.000 1.343 1140 H HN 0.395 nan 8.280 nan 0.000 0.609 1141 T N 4.424 118.591 114.554 -0.645 0.000 3.798 1141 T HA 0.232 4.584 4.350 0.003 0.000 0.339 1141 T C -0.514 173.908 174.700 -0.463 0.000 0.967 1141 T CA -0.406 61.444 62.100 -0.417 0.000 1.046 1141 T CB 0.592 69.349 68.868 -0.185 0.000 1.092 1141 T HN 0.831 nan 8.240 nan 0.000 0.465 1142 T N 0.543 114.883 114.554 -0.356 0.000 2.884 1142 T HA 0.606 4.958 4.350 0.003 0.000 0.277 1142 T C 1.313 175.948 174.700 -0.109 0.000 0.976 1142 T CA -0.856 61.126 62.100 -0.197 0.000 0.956 1142 T CB 0.805 69.623 68.868 -0.083 0.000 1.113 1142 T HN 0.187 nan 8.240 nan 0.000 0.554 1143 L N 0.633 121.818 121.223 -0.063 0.000 2.056 1143 L HA 0.163 4.505 4.340 0.003 0.000 0.207 1143 L C 2.668 179.519 176.870 -0.031 0.000 1.078 1143 L CA 1.830 56.643 54.840 -0.044 0.000 0.749 1143 L CB -1.239 40.809 42.059 -0.017 0.000 0.901 1143 L HN 0.895 nan 8.230 nan 0.000 0.433 1144 K N -0.500 119.889 120.400 -0.018 0.000 2.059 1144 K HA -0.225 4.097 4.320 0.003 0.000 0.212 1144 K C 1.998 178.589 176.600 -0.015 0.000 1.050 1144 K CA 1.897 58.179 56.287 -0.008 0.000 0.927 1144 K CB -0.293 32.208 32.500 0.003 0.000 0.714 1144 K HN 0.578 nan 8.250 nan 0.000 0.447 1145 S N -0.666 115.018 115.700 -0.027 0.000 2.584 1145 S HA -0.051 4.421 4.470 0.003 0.000 0.240 1145 S C 1.288 175.871 174.600 -0.028 0.000 0.975 1145 S CA 1.038 59.221 58.200 -0.028 0.000 0.949 1145 S CB 0.226 63.400 63.200 -0.042 0.000 0.761 1145 S HN 0.171 nan 8.310 nan 0.000 0.536 1146 V N -0.384 119.512 119.914 -0.031 0.000 3.426 1146 V HA 0.181 4.303 4.120 0.003 0.000 0.279 1146 V C 0.445 176.525 176.094 -0.022 0.000 1.544 1146 V CA 0.193 62.475 62.300 -0.030 0.000 1.017 1146 V CB 0.044 31.840 31.823 -0.046 0.000 0.821 1146 V HN 0.389 nan 8.190 nan 0.000 0.432 1147 T N 1.837 116.380 114.554 -0.017 0.000 2.794 1147 T HA 0.447 4.799 4.350 0.003 0.000 0.296 1147 T C 1.273 175.972 174.700 -0.001 0.000 0.949 1147 T CA 0.161 62.256 62.100 -0.008 0.000 1.101 1147 T CB 1.741 70.607 68.868 -0.003 0.000 0.905 1147 T HN 0.072 nan 8.240 nan 0.000 0.516 1148 I N 1.466 122.038 120.570 0.003 0.000 2.185 1148 I HA 0.232 4.404 4.170 0.003 0.000 0.235 1148 I C 1.352 177.476 176.117 0.013 0.000 1.069 1148 I CA 0.566 61.870 61.300 0.008 0.000 1.354 1148 I CB -0.113 37.894 38.000 0.012 0.000 1.093 1148 I HN 0.648 nan 8.210 nan 0.000 0.411 1149 A N -0.231 122.601 122.820 0.020 0.000 2.593 1149 A HA 0.700 5.022 4.320 0.003 0.000 0.290 1149 A C -0.851 176.754 177.584 0.035 0.000 1.126 1149 A CA -0.234 51.819 52.037 0.026 0.000 0.695 1149 A CB 1.473 20.492 19.000 0.031 0.000 1.290 1149 A HN 0.231 nan 8.150 nan 0.000 0.414 1150 S N -0.438 115.286 115.700 0.039 0.000 2.599 1150 S HA 0.869 5.341 4.470 0.003 0.000 0.287 1150 S C -0.928 173.716 174.600 0.073 0.000 1.105 1150 S CA -0.540 57.691 58.200 0.052 0.000 0.899 1150 S CB 1.842 65.063 63.200 0.035 0.000 1.100 1150 S HN 0.749 nan 8.310 nan 0.000 0.482 1151 E N 0.307 120.579 120.200 0.120 0.000 2.446 1151 E HA 0.587 4.939 4.350 0.003 0.000 0.276 1151 E C -1.335 175.385 176.600 0.201 0.000 0.969 1151 E CA -0.880 55.619 56.400 0.166 0.000 0.800 1151 E CB 2.237 32.148 29.700 0.352 0.000 1.341 1151 E HN 0.633 nan 8.360 nan 0.000 0.460 1152 I N 2.488 123.163 120.570 0.175 0.000 2.583 1152 I HA 0.271 4.443 4.170 0.003 0.000 0.276 1152 I C -1.303 174.992 176.117 0.296 0.000 1.089 1152 I CA -0.551 60.880 61.300 0.219 0.000 1.103 1152 I CB 0.341 38.391 38.000 0.083 0.000 1.209 1152 I HN 0.373 nan 8.210 nan 0.000 0.484 1153 Y N 3.510 123.920 120.300 0.183 0.000 2.392 1153 Y HA 0.262 4.814 4.550 0.003 0.000 0.323 1153 Y C -0.112 175.970 175.900 0.303 0.000 1.291 1153 Y CA -0.654 57.572 58.100 0.210 0.000 1.345 1153 Y CB 0.626 39.154 38.460 0.113 0.000 1.320 1153 Y HN 0.350 nan 8.280 nan 0.000 0.518 1154 Y N 2.044 122.520 120.300 0.294 0.000 2.595 1154 Y HA 0.302 4.854 4.550 0.003 0.000 0.336 1154 Y C -0.899 174.999 175.900 -0.004 0.000 0.996 1154 Y CA -0.792 57.315 58.100 0.011 0.000 1.260 1154 Y CB 0.158 38.531 38.460 -0.145 0.000 1.108 1154 Y HN 0.496 nan 8.280 nan 0.000 0.509 1155 D N 8.679 128.819 120.400 -0.433 0.000 2.454 1155 D HA 0.240 4.882 4.640 0.003 0.000 0.247 1155 D C -2.168 173.847 176.300 -0.475 0.000 1.129 1155 D CA -1.722 52.081 54.000 -0.329 0.000 0.877 1155 D CB 2.311 43.032 40.800 -0.131 0.000 1.082 1155 D HN 0.308 nan 8.370 nan 0.000 0.537 1156 P HA 0.035 nan 4.420 nan 0.000 0.228 1156 P C 0.163 177.355 177.300 -0.180 0.000 1.166 1156 P CA 0.225 63.088 63.100 -0.396 0.000 0.812 1156 P CB 0.835 32.321 31.700 -0.356 0.000 0.857 1157 D N 1.865 122.191 120.400 -0.123 0.000 2.479 1157 D HA 0.126 4.768 4.640 0.003 0.000 0.218 1157 D C -1.272 175.006 176.300 -0.037 0.000 1.131 1157 D CA -2.530 51.432 54.000 -0.063 0.000 0.916 1157 D CB 0.593 41.368 40.800 -0.041 0.000 1.022 1157 D HN 0.035 nan 8.370 nan 0.000 0.515 1158 P HA -0.147 nan 4.420 nan 0.000 0.229 1158 P C 0.966 178.306 177.300 0.067 0.000 1.150 1158 P CA 0.593 63.712 63.100 0.032 0.000 0.765 1158 P CB 0.321 32.052 31.700 0.052 0.000 0.783 1159 R N 0.062 120.584 120.500 0.037 0.000 2.246 1159 R HA 0.109 4.451 4.340 0.003 0.000 0.199 1159 R C 0.553 176.873 176.300 0.034 0.000 0.984 1159 R CA 0.615 56.741 56.100 0.043 0.000 1.015 1159 R CB 0.208 30.505 30.300 -0.005 0.000 0.930 1159 R HN 0.262 nan 8.270 nan 0.000 0.475 1160 S N -0.493 115.216 115.700 0.015 0.000 2.626 1160 S HA 0.251 4.723 4.470 0.003 0.000 0.275 1160 S C -0.443 174.152 174.600 -0.008 0.000 1.175 1160 S CA -0.921 57.283 58.200 0.007 0.000 0.982 1160 S CB 2.044 65.244 63.200 -0.001 0.000 1.093 1160 S HN -0.098 nan 8.310 nan 0.000 0.472 1161 T N 2.443 116.990 114.554 -0.012 0.000 2.860 1161 T HA 0.256 4.608 4.350 0.003 0.000 0.299 1161 T C 1.491 176.177 174.700 -0.023 0.000 1.045 1161 T CA -0.508 61.572 62.100 -0.033 0.000 1.071 1161 T CB 0.947 69.783 68.868 -0.053 0.000 0.985 1161 T HN 0.612 nan 8.240 nan 0.000 0.537 1162 V N 1.227 121.127 119.914 -0.022 0.000 3.306 1162 V HA 0.122 4.244 4.120 0.003 0.000 0.264 1162 V C 0.799 176.904 176.094 0.018 0.000 1.149 1162 V CA 0.843 63.153 62.300 0.016 0.000 1.143 1162 V CB -0.648 31.211 31.823 0.059 0.000 0.767 1162 V HN 0.644 nan 8.190 nan 0.000 0.476 1163 I N 2.505 123.056 120.570 -0.031 0.000 2.353 1163 I HA 0.216 4.388 4.170 0.003 0.000 0.293 1163 I C -0.869 175.233 176.117 -0.024 0.000 0.992 1163 I CA -1.737 59.539 61.300 -0.040 0.000 1.268 1163 I CB 1.674 39.588 38.000 -0.143 0.000 1.387 1163 I HN 0.017 nan 8.210 nan 0.000 0.478 1164 P HA -0.112 nan 4.420 nan 0.000 0.220 1164 P C 0.798 178.094 177.300 -0.007 0.000 1.152 1164 P CA 1.252 64.352 63.100 -0.001 0.000 0.812 1164 P CB 0.276 31.982 31.700 0.010 0.000 0.792 1165 E N -0.162 120.031 120.200 -0.012 0.000 2.418 1165 E HA -0.088 4.264 4.350 0.003 0.000 0.197 1165 E C 0.424 177.012 176.600 -0.020 0.000 1.026 1165 E CA 0.592 56.985 56.400 -0.012 0.000 0.862 1165 E CB -0.215 29.479 29.700 -0.009 0.000 0.799 1165 E HN 0.316 nan 8.360 nan 0.000 0.518 1166 D N 0.100 120.481 120.400 -0.031 0.000 2.395 1166 D HA 0.032 4.674 4.640 0.003 0.000 0.213 1166 D C 1.061 177.352 176.300 -0.014 0.000 1.110 1166 D CA 0.038 54.020 54.000 -0.030 0.000 0.835 1166 D CB 0.266 41.032 40.800 -0.056 0.000 0.965 1166 D HN 0.154 nan 8.370 nan 0.000 0.505 1167 E N 1.044 121.238 120.200 -0.010 0.000 2.049 1167 E HA -0.226 4.126 4.350 0.003 0.000 0.198 1167 E C 1.680 178.283 176.600 0.004 0.000 1.007 1167 E CA 0.962 57.362 56.400 0.000 0.000 0.809 1167 E CB 0.140 29.840 29.700 -0.001 0.000 0.749 1167 E HN 0.344 nan 8.360 nan 0.000 0.450 1168 E N 0.635 120.831 120.200 -0.006 0.000 2.033 1168 E HA -0.237 4.115 4.350 0.003 0.000 0.199 1168 E C 2.195 178.776 176.600 -0.032 0.000 1.011 1168 E CA 1.279 57.669 56.400 -0.017 0.000 0.815 1168 E CB -0.163 29.523 29.700 -0.023 0.000 0.755 1168 E HN 0.208 nan 8.360 nan 0.000 0.451 1169 I N 1.041 121.592 120.570 -0.033 0.000 2.181 1169 I HA -0.359 3.813 4.170 0.003 0.000 0.247 1169 I C 2.429 178.551 176.117 0.009 0.000 1.081 1169 I CA 1.211 62.484 61.300 -0.046 0.000 1.340 1169 I CB -0.364 37.640 38.000 0.007 0.000 1.036 1169 I HN 0.262 nan 8.210 nan 0.000 0.417 1170 I N 0.136 120.743 120.570 0.062 0.000 2.202 1170 I HA -0.296 3.876 4.170 0.003 0.000 0.242 1170 I C 2.629 178.877 176.117 0.217 0.000 1.091 1170 I CA 1.514 62.897 61.300 0.139 0.000 1.368 1170 I CB -0.528 37.543 38.000 0.118 0.000 1.058 1170 I HN 0.357 nan 8.210 nan 0.000 0.410 1171 Q N 0.808 120.696 119.800 0.147 0.000 2.084 1171 Q HA -0.138 4.204 4.340 0.003 0.000 0.202 1171 Q C 2.019 178.129 176.000 0.184 0.000 0.978 1171 Q CA 1.230 57.144 55.803 0.185 0.000 0.844 1171 Q CB -0.209 28.572 28.738 0.072 0.000 0.898 1171 Q HN 0.524 nan 8.270 nan 0.000 0.426 1172 L N 0.959 122.174 121.223 -0.013 0.000 2.749 1172 L HA -0.062 4.280 4.340 0.003 0.000 0.245 1172 L C 0.536 177.203 176.870 -0.338 0.000 1.156 1172 L CA 0.249 54.995 54.840 -0.157 0.000 0.890 1172 L CB -0.421 41.484 42.059 -0.257 0.000 1.036 1172 L HN 0.245 nan 8.230 nan 0.000 0.441 1173 H N -0.479 118.495 119.070 -0.160 0.000 2.412 1173 H HA 0.260 4.818 4.556 0.003 0.000 0.239 1173 H C -0.366 174.340 175.328 -1.037 0.000 1.388 1173 H CA -0.194 55.539 56.048 -0.524 0.000 1.148 1173 H CB 0.172 29.571 29.762 -0.604 0.000 1.637 1173 H HN 0.216 nan 8.280 nan 0.000 0.542 1174 F N -0.830 119.146 119.950 0.043 0.000 3.033 1174 F HA 0.029 4.558 4.527 0.003 0.000 0.332 1174 F C 0.904 176.706 175.800 0.003 0.000 1.266 1174 F CA -0.462 57.552 58.000 0.025 0.000 0.998 1174 F CB 0.207 39.215 39.000 0.014 0.000 1.438 1174 F HN 0.023 nan 8.300 nan 0.000 0.501 1175 S N 0.363 116.117 115.700 0.090 0.000 2.730 1175 S HA 0.840 5.312 4.470 0.003 0.000 0.284 1175 S C -0.377 174.240 174.600 0.028 0.000 1.153 1175 S CA -0.602 57.630 58.200 0.053 0.000 0.995 1175 S CB 1.983 65.194 63.200 0.018 0.000 1.058 1175 S HN 0.175 nan 8.310 nan 0.000 0.552 1188 Q N 1.377 121.158 119.800 -0.033 0.000 2.283 1188 Q HA 0.254 4.596 4.340 0.003 0.000 0.301 1188 Q C -0.365 175.644 176.000 0.015 0.000 1.063 1188 Q CA 0.550 56.354 55.803 0.002 0.000 0.952 1188 Q CB 0.828 29.564 28.738 -0.005 0.000 1.166 1188 Q HN 0.437 nan 8.270 nan 0.000 0.381 1189 S N 2.662 118.389 115.700 0.045 0.000 2.669 1189 S HA 0.361 4.833 4.470 0.003 0.000 0.270 1189 S C -1.706 172.877 174.600 -0.028 0.000 1.225 1189 S CA -1.510 56.720 58.200 0.050 0.000 0.991 1189 S CB 0.743 64.033 63.200 0.149 0.000 0.987 1189 S HN 0.527 nan 8.310 nan 0.000 0.552 1190 P HA 0.173 nan 4.420 nan 0.000 0.251 1190 P C -0.619 176.391 177.300 -0.483 0.000 1.223 1190 P CA 0.060 62.907 63.100 -0.422 0.000 0.796 1190 P CB -0.045 31.271 31.700 -0.640 0.000 1.068 1191 W N 1.307 122.558 121.300 -0.081 0.000 2.335 1191 W HA 0.397 5.059 4.660 0.003 0.000 0.306 1191 W C 0.168 176.681 176.519 -0.010 0.000 1.216 1191 W CA -0.882 56.455 57.345 -0.013 0.000 1.237 1191 W CB 0.606 30.100 29.460 0.057 0.000 1.243 1191 W HN -0.145 nan 8.180 nan 0.000 0.493 1192 L N 5.970 127.342 121.223 0.249 0.000 2.282 1192 L HA 0.533 4.875 4.340 0.003 0.000 0.288 1192 L C -0.930 176.037 176.870 0.163 0.000 1.033 1192 L CA -0.883 54.041 54.840 0.141 0.000 0.807 1192 L CB 0.643 42.734 42.059 0.053 0.000 1.209 1192 L HN 0.345 nan 8.230 nan 0.000 0.423 1193 L N 6.041 127.317 121.223 0.087 0.000 2.275 1193 L HA 0.564 4.906 4.340 0.003 0.000 0.288 1193 L C -0.586 176.309 176.870 0.042 0.000 1.046 1193 L CA 0.072 54.952 54.840 0.067 0.000 0.805 1193 L CB 0.774 42.839 42.059 0.009 0.000 1.193 1193 L HN 0.793 nan 8.230 nan 0.000 0.426 1194 R N 5.821 126.365 120.500 0.074 0.000 2.451 1194 R HA 0.594 4.936 4.340 0.003 0.000 0.307 1194 R C -1.779 174.551 176.300 0.051 0.000 0.965 1194 R CA -0.599 55.525 56.100 0.039 0.000 0.865 1194 R CB 0.923 31.227 30.300 0.008 0.000 1.174 1194 R HN 0.746 nan 8.270 nan 0.000 0.455 1195 L N 2.939 124.177 121.223 0.026 0.000 2.325 1195 L HA 0.503 4.845 4.340 0.003 0.000 0.278 1195 L C -0.119 176.764 176.870 0.022 0.000 1.023 1195 L CA -0.656 54.199 54.840 0.025 0.000 0.811 1195 L CB 1.868 43.933 42.059 0.010 0.000 1.249 1195 L HN 0.614 nan 8.230 nan 0.000 0.431 1196 E N 3.430 123.644 120.200 0.024 0.000 2.165 1196 E HA 0.514 4.867 4.350 0.003 0.000 0.266 1196 E C -1.506 175.099 176.600 0.009 0.000 0.889 1196 E CA -0.609 55.803 56.400 0.020 0.000 0.756 1196 E CB 1.495 31.212 29.700 0.029 0.000 1.131 1196 E HN 0.481 nan 8.360 nan 0.000 0.411 1197 L N 2.912 124.136 121.223 0.001 0.000 2.334 1197 L HA 0.361 4.703 4.340 0.003 0.000 0.275 1197 L C 0.222 177.089 176.870 -0.006 0.000 1.036 1197 L CA -1.041 53.794 54.840 -0.009 0.000 0.807 1197 L CB 1.239 43.283 42.059 -0.026 0.000 1.231 1197 L HN 0.545 nan 8.230 nan 0.000 0.438 1198 D N 1.509 121.905 120.400 -0.008 0.000 2.348 1198 D HA 0.035 4.678 4.640 0.003 0.000 0.253 1198 D C 0.936 177.231 176.300 -0.008 0.000 1.161 1198 D CA 0.138 54.136 54.000 -0.005 0.000 0.876 1198 D CB 1.158 41.956 40.800 -0.004 0.000 1.160 1198 D HN 0.393 nan 8.370 nan 0.000 0.459 1199 R N 2.806 123.303 120.500 -0.005 0.000 2.237 1199 R HA -0.086 4.256 4.340 0.003 0.000 0.219 1199 R C 1.579 177.874 176.300 -0.007 0.000 1.080 1199 R CA 1.053 57.149 56.100 -0.006 0.000 0.995 1199 R CB 0.198 30.497 30.300 -0.002 0.000 0.875 1199 R HN 0.524 nan 8.270 nan 0.000 0.462 1200 A N 0.494 123.312 122.820 -0.004 0.000 1.835 1200 A HA 0.003 4.325 4.320 0.003 0.000 0.213 1200 A C 2.275 179.858 177.584 -0.001 0.000 1.210 1200 A CA 1.186 53.222 52.037 -0.001 0.000 0.605 1200 A CB -0.887 18.115 19.000 0.003 0.000 0.860 1200 A HN 0.386 nan 8.150 nan 0.000 0.447 1201 A N -0.862 121.958 122.820 -0.001 0.000 1.908 1201 A HA -0.187 4.135 4.320 0.003 0.000 0.218 1201 A C 2.211 179.789 177.584 -0.011 0.000 1.181 1201 A CA 2.193 54.230 52.037 0.001 0.000 0.627 1201 A CB -0.585 18.412 19.000 -0.006 0.000 0.818 1201 A HN 0.439 nan 8.150 nan 0.000 0.445 1202 M N -0.139 119.448 119.600 -0.022 0.000 2.108 1202 M HA -0.143 4.339 4.480 0.003 0.000 0.261 1202 M C 1.860 178.140 176.300 -0.034 0.000 1.066 1202 M CA 1.407 56.686 55.300 -0.035 0.000 1.107 1202 M CB -1.543 31.034 32.600 -0.038 0.000 1.356 1202 M HN 0.455 nan 8.290 nan 0.000 0.406 1203 N N 0.474 119.159 118.700 -0.025 0.000 2.135 1203 N HA -0.150 4.593 4.740 0.003 0.000 0.186 1203 N C 1.446 176.936 175.510 -0.033 0.000 1.027 1203 N CA 1.184 54.218 53.050 -0.028 0.000 0.849 1203 N CB -0.441 38.033 38.487 -0.021 0.000 1.002 1203 N HN 0.422 nan 8.380 nan 0.000 0.425 1204 D N 1.293 121.682 120.400 -0.018 0.000 2.137 1204 D HA -0.162 4.480 4.640 0.003 0.000 0.189 1204 D C -0.210 176.061 176.300 -0.047 0.000 0.998 1204 D CA 1.169 55.158 54.000 -0.019 0.000 0.839 1204 D CB 0.080 40.906 40.800 0.042 0.000 0.962 1204 D HN 0.209 nan 8.370 nan 0.000 0.446 1205 K N 2.019 122.407 120.400 -0.020 0.000 2.310 1205 K HA 0.089 4.411 4.320 0.003 0.000 0.290 1205 K C -0.565 176.003 176.600 -0.054 0.000 1.077 1205 K CA -0.398 55.868 56.287 -0.035 0.000 0.922 1205 K CB 0.805 33.300 32.500 -0.009 0.000 1.057 1205 K HN 0.136 nan 8.250 nan 0.000 0.479 1206 D N 4.191 124.550 120.400 -0.068 0.000 2.661 1206 D HA -0.111 4.532 4.640 0.003 0.000 0.283 1206 D C -0.242 176.020 176.300 -0.063 0.000 1.470 1206 D CA 1.054 55.015 54.000 -0.066 0.000 1.126 1206 D CB 0.021 40.778 40.800 -0.071 0.000 1.145 1206 D HN 0.330 nan 8.370 nan 0.000 0.572 1207 L N 1.492 122.678 121.223 -0.063 0.000 2.464 1207 L HA 0.247 4.589 4.340 0.003 0.000 0.266 1207 L C -0.093 176.731 176.870 -0.077 0.000 0.965 1207 L CA -0.472 54.324 54.840 -0.074 0.000 0.833 1207 L CB 2.585 44.597 42.059 -0.078 0.000 1.296 1207 L HN 0.026 nan 8.230 nan 0.000 0.405 1208 T N 3.169 117.668 114.554 -0.092 0.000 2.855 1208 T HA 0.275 4.627 4.350 0.003 0.000 0.281 1208 T C 1.170 175.771 174.700 -0.165 0.000 1.007 1208 T CA -0.630 61.413 62.100 -0.095 0.000 1.009 1208 T CB 1.693 70.521 68.868 -0.066 0.000 0.983 1208 T HN 0.440 nan 8.240 nan 0.000 0.455 1209 M N 2.160 121.656 119.600 -0.173 0.000 2.113 1209 M HA -0.134 4.348 4.480 0.003 0.000 0.255 1209 M C 2.525 178.437 176.300 -0.646 0.000 1.073 1209 M CA 2.171 57.267 55.300 -0.341 0.000 1.091 1209 M CB -1.738 30.738 32.600 -0.207 0.000 1.309 1209 M HN 0.855 nan 8.290 nan 0.000 0.407 1210 G N -0.329 108.228 108.800 -0.405 0.000 2.491 1210 G HA2 -0.274 3.688 3.960 0.003 0.000 0.218 1210 G HA3 -0.274 3.688 3.960 0.003 0.000 0.218 1210 G C 1.437 176.110 174.900 -0.379 0.000 1.180 1210 G CA 1.007 45.895 45.100 -0.353 0.000 0.774 1210 G HN 0.610 nan 8.290 nan 0.000 0.562 1211 Q N -0.092 119.567 119.800 -0.234 0.000 2.077 1211 Q HA -0.140 4.202 4.340 0.003 0.000 0.206 1211 Q C 2.876 178.733 176.000 -0.238 0.000 0.989 1211 Q CA 1.864 57.560 55.803 -0.179 0.000 0.853 1211 Q CB -0.488 28.173 28.738 -0.128 0.000 0.907 1211 Q HN 0.449 nan 8.270 nan 0.000 0.418 1212 V N 0.719 120.448 119.914 -0.308 0.000 2.223 1212 V HA -0.224 3.898 4.120 0.003 0.000 0.244 1212 V C 2.345 178.213 176.094 -0.376 0.000 1.045 1212 V CA 2.079 64.201 62.300 -0.296 0.000 1.000 1212 V CB -1.643 30.004 31.823 -0.294 0.000 0.635 1212 V HN 0.543 nan 8.190 nan 0.000 0.445 1213 G N -0.695 107.666 108.800 -0.732 0.000 2.505 1213 G HA2 -0.296 3.667 3.960 0.003 0.000 0.220 1213 G HA3 -0.296 3.667 3.960 0.003 0.000 0.220 1213 G C 1.493 176.159 174.900 -0.391 0.000 1.145 1213 G CA 1.140 45.725 45.100 -0.857 0.000 0.761 1213 G HN 0.601 nan 8.290 nan 0.000 0.571 1214 E N -0.614 119.377 120.200 -0.347 0.000 2.347 1214 E HA -0.004 4.348 4.350 0.003 0.000 0.196 1214 E C 2.555 179.134 176.600 -0.035 0.000 1.008 1214 E CA 0.095 56.465 56.400 -0.051 0.000 0.852 1214 E CB 0.112 29.818 29.700 0.010 0.000 0.783 1214 E HN 0.202 nan 8.360 nan 0.000 0.505 1215 R N 0.751 121.199 120.500 -0.087 0.000 2.100 1215 R HA 0.047 4.389 4.340 0.003 0.000 0.220 1215 R C 1.806 178.100 176.300 -0.010 0.000 1.091 1215 R CA 0.843 56.913 56.100 -0.050 0.000 0.986 1215 R CB -0.178 30.077 30.300 -0.075 0.000 0.888 1215 R HN 0.129 nan 8.270 nan 0.000 0.444 1216 I N 0.241 120.810 120.570 -0.002 0.000 2.252 1216 I HA -0.242 3.930 4.170 0.003 0.000 0.245 1216 I C 2.286 178.536 176.117 0.222 0.000 1.102 1216 I CA 1.259 62.628 61.300 0.115 0.000 1.385 1216 I CB -0.309 37.741 38.000 0.083 0.000 1.064 1216 I HN 0.164 nan 8.210 nan 0.000 0.414 1217 K N 1.172 121.664 120.400 0.153 0.000 1.991 1217 K HA -0.242 4.080 4.320 0.003 0.000 0.212 1217 K C 1.957 178.660 176.600 0.171 0.000 1.049 1217 K CA 1.886 58.288 56.287 0.191 0.000 0.932 1217 K CB -0.162 32.447 32.500 0.182 0.000 0.717 1217 K HN 0.430 nan 8.250 nan 0.000 0.441 1218 Q N -0.392 119.468 119.800 0.100 0.000 2.491 1218 Q HA -0.028 4.315 4.340 0.003 0.000 0.214 1218 Q C 0.534 176.543 176.000 0.015 0.000 0.970 1218 Q CA 0.934 56.773 55.803 0.059 0.000 0.960 1218 Q CB 0.348 29.106 28.738 0.033 0.000 0.996 1218 Q HN 0.122 nan 8.270 nan 0.000 0.524 1219 T N -0.267 114.291 114.554 0.007 0.000 3.045 1219 T HA 0.119 4.471 4.350 0.003 0.000 0.239 1219 T C 0.292 174.821 174.700 -0.285 0.000 1.008 1219 T CA 0.321 62.305 62.100 -0.193 0.000 1.143 1219 T CB 0.049 68.707 68.868 -0.351 0.000 0.894 1219 T HN 0.355 nan 8.240 nan 0.000 0.451 1220 F N 1.904 121.871 119.950 0.028 0.000 2.645 1220 F HA 0.429 4.958 4.527 0.003 0.000 0.300 1220 F C 1.335 177.159 175.800 0.041 0.000 1.115 1220 F CA -0.822 57.198 58.000 0.035 0.000 1.355 1220 F CB -0.464 38.561 39.000 0.042 0.000 1.026 1220 F HN -0.008 nan 8.300 nan 0.000 0.536 1221 K N 0.439 120.934 120.400 0.159 0.000 4.362 1221 K HA -0.368 3.954 4.320 0.003 0.000 0.360 1221 K C 0.057 176.737 176.600 0.133 0.000 0.683 1221 K CA 2.408 58.765 56.287 0.116 0.000 1.248 1221 K CB -0.799 31.742 32.500 0.068 0.000 0.915 1221 K HN 0.228 nan 8.250 nan 0.000 0.740 1222 N N 0.722 119.495 118.700 0.120 0.000 2.648 1222 N HA 0.158 4.900 4.740 0.003 0.000 0.261 1222 N C -1.787 173.784 175.510 0.102 0.000 1.138 1222 N CA 0.057 53.169 53.050 0.103 0.000 0.804 1222 N CB 1.055 39.583 38.487 0.067 0.000 1.237 1222 N HN 0.489 nan 8.380 nan 0.000 0.532 1223 D N 1.684 122.157 120.400 0.120 0.000 4.386 1223 D HA 0.004 4.646 4.640 0.003 0.000 0.140 1223 D C -1.183 175.170 176.300 0.089 0.000 0.722 1223 D CA -0.290 53.771 54.000 0.102 0.000 0.660 1223 D CB -0.983 39.884 40.800 0.112 0.000 1.649 1223 D HN 0.275 nan 8.370 nan 0.000 0.401 1224 L N 0.631 121.907 121.223 0.087 0.000 2.830 1224 L HA 0.625 4.967 4.340 0.003 0.000 0.259 1224 L C -2.433 174.518 176.870 0.134 0.000 0.926 1224 L CA -0.722 54.132 54.840 0.023 0.000 0.993 1224 L CB 1.619 43.556 42.059 -0.203 0.000 1.589 1224 L HN -0.028 nan 8.230 nan 0.000 0.460 1225 F N 5.364 125.282 119.950 -0.054 0.000 2.422 1225 F HA 0.882 5.411 4.527 0.003 0.000 0.333 1225 F C -0.844 174.929 175.800 -0.045 0.000 1.095 1225 F CA -0.726 57.248 58.000 -0.043 0.000 1.038 1225 F CB 1.671 40.639 39.000 -0.052 0.000 1.156 1225 F HN 0.290 nan 8.300 nan 0.000 0.483 1226 V N 6.463 126.074 119.914 -0.504 0.000 2.876 1226 V HA 0.620 4.742 4.120 0.003 0.000 0.312 1226 V C -0.427 175.203 176.094 -0.773 0.000 1.085 1226 V CA -0.861 61.163 62.300 -0.460 0.000 0.945 1226 V CB 2.106 33.922 31.823 -0.012 0.000 1.017 1226 V HN 0.690 nan 8.190 nan 0.000 0.428 1227 I N 2.310 122.576 120.570 -0.507 0.000 2.918 1227 I HA 0.636 4.808 4.170 0.003 0.000 0.301 1227 I C -1.477 174.556 176.117 -0.140 0.000 1.312 1227 I CA -0.410 60.478 61.300 -0.685 0.000 1.007 1227 I CB 2.622 40.135 38.000 -0.812 0.000 1.281 1227 I HN 0.942 nan 8.210 nan 0.000 0.440 1228 W N 2.281 123.494 121.300 -0.144 0.000 2.988 1228 W HA 0.738 5.400 4.660 0.003 0.000 0.355 1228 W C -1.270 175.302 176.519 0.088 0.000 1.233 1228 W CA -0.936 56.393 57.345 -0.026 0.000 1.176 1228 W CB 0.158 29.591 29.460 -0.045 0.000 1.477 1228 W HN 0.460 nan 8.180 nan 0.000 0.582 1229 S N -0.101 115.791 115.700 0.320 0.000 2.646 1229 S HA 0.452 4.924 4.470 0.003 0.000 0.276 1229 S C -0.364 174.393 174.600 0.262 0.000 1.222 1229 S CA -0.880 57.425 58.200 0.175 0.000 1.014 1229 S CB 1.412 64.674 63.200 0.105 0.000 0.991 1229 S HN 0.527 nan 8.310 nan 0.000 0.533 1230 E N 0.696 120.970 120.200 0.122 0.000 2.354 1230 E HA 0.063 4.415 4.350 0.003 0.000 0.269 1230 E C 0.170 176.832 176.600 0.102 0.000 1.036 1230 E CA -0.372 56.105 56.400 0.127 0.000 0.876 1230 E CB 0.415 30.138 29.700 0.040 0.000 1.009 1230 E HN 0.589 nan 8.360 nan 0.000 0.416 1231 D N 2.044 122.501 120.400 0.095 0.000 2.322 1231 D HA -0.190 4.452 4.640 0.003 0.000 0.210 1231 D C 1.026 177.344 176.300 0.031 0.000 0.983 1231 D CA 0.826 54.855 54.000 0.050 0.000 0.902 1231 D CB 0.163 40.981 40.800 0.031 0.000 0.905 1231 D HN 0.363 nan 8.370 nan 0.000 0.483 1232 N N 0.860 119.578 118.700 0.030 0.000 2.135 1232 N HA -0.080 4.662 4.740 0.003 0.000 0.186 1232 N C 0.333 175.851 175.510 0.014 0.000 1.027 1232 N CA 0.561 53.620 53.050 0.016 0.000 0.849 1232 N CB 0.085 38.578 38.487 0.010 0.000 1.002 1232 N HN 0.168 nan 8.380 nan 0.000 0.425 1233 D N 0.907 121.317 120.400 0.017 0.000 2.429 1233 D HA -0.110 4.532 4.640 0.003 0.000 0.233 1233 D C 1.195 177.504 176.300 0.015 0.000 1.202 1233 D CA 0.383 54.391 54.000 0.014 0.000 0.879 1233 D CB 0.501 41.311 40.800 0.017 0.000 1.212 1233 D HN 0.455 nan 8.370 nan 0.000 0.465 1234 E N 0.281 120.488 120.200 0.011 0.000 2.482 1234 E HA -0.056 4.296 4.350 0.003 0.000 0.196 1234 E C -0.074 176.534 176.600 0.013 0.000 1.047 1234 E CA 0.703 57.109 56.400 0.010 0.000 0.869 1234 E CB 0.208 29.913 29.700 0.008 0.000 0.836 1234 E HN 0.171 nan 8.360 nan 0.000 0.520 1235 K N 1.658 122.068 120.400 0.016 0.000 2.621 1235 K HA 0.298 4.620 4.320 0.003 0.000 0.233 1235 K C -0.947 175.670 176.600 0.028 0.000 0.972 1235 K CA -0.411 55.887 56.287 0.018 0.000 0.988 1235 K CB 1.502 34.011 32.500 0.015 0.000 1.187 1235 K HN 0.102 nan 8.250 nan 0.000 0.471 1236 L N 5.220 126.459 121.223 0.027 0.000 2.565 1236 L HA 0.218 4.560 4.340 0.003 0.000 0.275 1236 L C 0.083 176.977 176.870 0.040 0.000 1.137 1236 L CA 0.403 55.266 54.840 0.038 0.000 0.915 1236 L CB -0.388 41.679 42.059 0.014 0.000 1.232 1236 L HN 0.413 nan 8.230 nan 0.000 0.473 1237 I N 4.171 124.782 120.570 0.068 0.000 2.785 1237 I HA 0.519 4.691 4.170 0.003 0.000 0.302 1237 I C -0.336 175.843 176.117 0.103 0.000 1.069 1237 I CA -0.568 60.766 61.300 0.057 0.000 1.045 1237 I CB 2.832 40.850 38.000 0.029 0.000 1.236 1237 I HN 0.395 nan 8.210 nan 0.000 0.429 1238 I N 3.987 124.596 120.570 0.065 0.000 2.499 1238 I HA 0.463 4.635 4.170 0.003 0.000 0.288 1238 I C -0.743 175.381 176.117 0.011 0.000 1.048 1238 I CA -0.636 60.715 61.300 0.085 0.000 1.062 1238 I CB 2.029 40.060 38.000 0.052 0.000 1.238 1238 I HN 0.450 nan 8.210 nan 0.000 0.426 1239 R N 4.440 124.920 120.500 -0.034 0.000 2.562 1239 R HA 0.801 5.143 4.340 0.003 0.000 0.298 1239 R C -1.400 174.814 176.300 -0.143 0.000 0.961 1239 R CA -0.503 55.543 56.100 -0.089 0.000 0.881 1239 R CB 2.120 32.349 30.300 -0.118 0.000 1.159 1239 R HN 0.602 nan 8.270 nan 0.000 0.450 1240 C N 1.170 120.410 119.300 -0.100 0.000 2.994 1240 C HA 0.671 5.133 4.460 0.003 0.000 0.304 1240 C C -0.601 174.370 174.990 -0.032 0.000 1.273 1240 C CA -1.087 57.865 59.018 -0.110 0.000 1.537 1240 C CB 2.116 29.784 27.740 -0.120 0.000 2.001 1240 C HN 0.840 nan 8.230 nan 0.000 0.471 1241 R N 0.666 121.173 120.500 0.012 0.000 2.604 1241 R HA 0.620 4.962 4.340 0.003 0.000 0.270 1241 R C -0.901 175.440 176.300 0.069 0.000 1.052 1241 R CA -0.550 55.595 56.100 0.075 0.000 0.902 1241 R CB 1.607 31.986 30.300 0.131 0.000 1.233 1241 R HN 0.519 nan 8.270 nan 0.000 0.455 1242 V N 1.285 121.239 119.914 0.067 0.000 3.816 1242 V HA 0.405 4.527 4.120 0.003 0.000 0.281 1242 V C 0.415 176.549 176.094 0.067 0.000 1.027 1242 V CA -0.230 62.101 62.300 0.052 0.000 1.032 1242 V CB 1.063 32.926 31.823 0.067 0.000 1.226 1242 V HN 0.574 nan 8.190 nan 0.000 0.448 1255 E N 0.096 120.349 120.200 0.088 0.000 6.582 1255 E HA -0.133 4.219 4.350 0.003 0.000 0.193 1255 E C -0.045 176.595 176.600 0.067 0.000 1.234 1255 E CA 0.732 57.175 56.400 0.071 0.000 1.476 1255 E CB -0.462 29.263 29.700 0.043 0.000 0.955 1255 E HN 0.582 nan 8.360 nan 0.000 0.300 1256 E N 1.298 121.523 120.200 0.043 0.000 2.288 1256 E HA -0.033 4.319 4.350 0.003 0.000 0.200 1256 E C 1.017 177.486 176.600 -0.218 0.000 0.880 1256 E CA 0.141 56.534 56.400 -0.011 0.000 0.971 1256 E CB 0.121 29.919 29.700 0.165 0.000 0.954 1256 E HN 0.410 nan 8.360 nan 0.000 0.489 1257 D N 1.089 121.206 120.400 -0.472 0.000 2.172 1257 D HA -0.219 4.423 4.640 0.003 0.000 0.196 1257 D C 1.778 177.912 176.300 -0.275 0.000 0.999 1257 D CA 1.203 54.864 54.000 -0.565 0.000 0.856 1257 D CB -0.153 40.300 40.800 -0.579 0.000 0.934 1257 D HN 0.238 nan 8.370 nan 0.000 0.453 1258 H N 0.251 119.213 119.070 -0.179 0.000 2.299 1258 H HA 0.064 4.622 4.556 0.003 0.000 0.302 1258 H C 2.357 177.640 175.328 -0.074 0.000 1.078 1258 H CA 0.820 56.806 56.048 -0.102 0.000 1.323 1258 H CB -0.083 29.640 29.762 -0.064 0.000 1.381 1258 H HN 0.135 nan 8.280 nan 0.000 0.498 1259 M N -0.098 119.556 119.600 0.091 0.000 2.159 1259 M HA -0.169 4.313 4.480 0.003 0.000 0.263 1259 M C 1.775 178.081 176.300 0.009 0.000 1.063 1259 M CA 0.826 56.160 55.300 0.057 0.000 1.110 1259 M CB -0.171 32.456 32.600 0.045 0.000 1.374 1259 M HN 0.064 nan 8.290 nan 0.000 0.411 1260 L N 0.156 121.350 121.223 -0.048 0.000 2.693 1260 L HA -0.037 4.305 4.340 0.003 0.000 0.242 1260 L C 1.395 178.224 176.870 -0.067 0.000 1.157 1260 L CA 1.252 56.053 54.840 -0.064 0.000 0.929 1260 L CB -0.558 41.444 42.059 -0.094 0.000 1.103 1260 L HN 0.113 nan 8.230 nan 0.000 0.430 1261 K N -1.957 118.412 120.400 -0.051 0.000 2.567 1261 K HA 0.139 4.461 4.320 0.003 0.000 0.199 1261 K C 1.631 178.232 176.600 0.001 0.000 1.412 1261 K CA -0.055 56.201 56.287 -0.052 0.000 1.020 1261 K CB 0.488 32.914 32.500 -0.124 0.000 1.487 1261 K HN 0.052 nan 8.250 nan 0.000 0.531 1262 K N 1.040 121.465 120.400 0.041 0.000 2.283 1262 K HA 0.028 4.350 4.320 0.003 0.000 0.202 1262 K C 1.777 178.432 176.600 0.091 0.000 1.048 1262 K CA 0.989 57.322 56.287 0.078 0.000 0.948 1262 K CB 0.124 32.690 32.500 0.112 0.000 0.742 1262 K HN 0.127 nan 8.250 nan 0.000 0.458 1263 I N 0.441 121.060 120.570 0.081 0.000 2.585 1263 I HA -0.164 4.008 4.170 0.003 0.000 0.254 1263 I C 2.396 178.567 176.117 0.090 0.000 1.129 1263 I CA 0.640 62.010 61.300 0.116 0.000 1.455 1263 I CB -0.073 37.930 38.000 0.004 0.000 1.111 1263 I HN 0.133 nan 8.210 nan 0.000 0.433 1264 E N 1.701 121.921 120.200 0.034 0.000 2.130 1264 E HA -0.271 4.081 4.350 0.003 0.000 0.196 1264 E C 1.776 178.405 176.600 0.048 0.000 0.998 1264 E CA 1.816 58.232 56.400 0.027 0.000 0.806 1264 E CB -0.186 29.516 29.700 0.003 0.000 0.738 1264 E HN 0.355 nan 8.360 nan 0.000 0.459 1265 N N -0.621 118.111 118.700 0.053 0.000 2.220 1265 N HA -0.029 4.713 4.740 0.003 0.000 0.182 1265 N C 1.642 177.196 175.510 0.073 0.000 1.023 1265 N CA 1.688 54.769 53.050 0.052 0.000 0.856 1265 N CB -0.456 38.055 38.487 0.040 0.000 0.997 1265 N HN 0.239 nan 8.380 nan 0.000 0.429 1266 T N 2.233 116.850 114.554 0.105 0.000 2.699 1266 T HA -0.142 4.210 4.350 0.003 0.000 0.268 1266 T C 2.067 176.838 174.700 0.118 0.000 1.036 1266 T CA 1.165 63.331 62.100 0.109 0.000 1.147 1266 T CB -0.084 68.884 68.868 0.166 0.000 0.862 1266 T HN 0.204 nan 8.240 nan 0.000 0.446 1267 M N 0.373 120.084 119.600 0.185 0.000 2.126 1267 M HA -0.053 4.429 4.480 0.003 0.000 0.259 1267 M C 2.415 178.760 176.300 0.076 0.000 1.073 1267 M CA 1.760 57.158 55.300 0.163 0.000 1.103 1267 M CB -0.839 31.854 32.600 0.155 0.000 1.284 1267 M HN 0.207 nan 8.290 nan 0.000 0.420 1268 L N -0.332 120.926 121.223 0.058 0.000 2.021 1268 L HA -0.267 4.075 4.340 0.003 0.000 0.215 1268 L C 2.044 178.931 176.870 0.028 0.000 1.074 1268 L CA 1.722 56.582 54.840 0.033 0.000 0.760 1268 L CB -0.725 41.350 42.059 0.028 0.000 0.889 1268 L HN 0.466 nan 8.230 nan 0.000 0.433 1269 E N -1.798 118.423 120.200 0.035 0.000 2.413 1269 E HA 0.019 4.371 4.350 0.003 0.000 0.203 1269 E C 1.561 178.184 176.600 0.040 0.000 0.957 1269 E CA -0.094 56.328 56.400 0.037 0.000 0.950 1269 E CB 0.298 30.018 29.700 0.033 0.000 0.957 1269 E HN 0.452 nan 8.360 nan 0.000 0.497 1270 N N 0.864 119.581 118.700 0.028 0.000 2.436 1270 N HA 0.093 4.835 4.740 0.003 0.000 0.178 1270 N C 0.678 176.189 175.510 0.001 0.000 1.026 1270 N CA 0.259 53.316 53.050 0.012 0.000 0.880 1270 N CB 0.679 39.160 38.487 -0.010 0.000 1.061 1270 N HN 0.069 nan 8.380 nan 0.000 0.434 1271 I N 2.351 122.915 120.570 -0.011 0.000 2.664 1271 I HA -0.055 4.117 4.170 0.003 0.000 0.284 1271 I C -0.051 176.052 176.117 -0.024 0.000 1.154 1271 I CA 0.568 61.851 61.300 -0.029 0.000 1.402 1271 I CB 0.229 38.221 38.000 -0.012 0.000 1.395 1271 I HN -0.148 nan 8.210 nan 0.000 0.545 1272 T N 7.961 122.501 114.554 -0.023 0.000 2.747 1272 T HA 0.180 4.532 4.350 0.003 0.000 0.301 1272 T C 1.158 175.813 174.700 -0.076 0.000 0.952 1272 T CA -0.572 61.504 62.100 -0.040 0.000 0.983 1272 T CB 0.953 69.845 68.868 0.040 0.000 0.930 1272 T HN 0.308 nan 8.240 nan 0.000 0.494 1273 L N 2.744 123.896 121.223 -0.119 0.000 2.046 1273 L HA 0.185 4.527 4.340 0.003 0.000 0.208 1273 L C 1.336 178.148 176.870 -0.097 0.000 1.077 1273 L CA 1.601 56.377 54.840 -0.107 0.000 0.747 1273 L CB -0.633 41.354 42.059 -0.120 0.000 0.896 1273 L HN 0.566 nan 8.230 nan 0.000 0.432 1274 R N -2.468 117.962 120.500 -0.115 0.000 2.753 1274 R HA 0.476 4.818 4.340 0.003 0.000 0.272 1274 R C -0.784 175.482 176.300 -0.056 0.000 1.034 1274 R CA 0.077 56.133 56.100 -0.074 0.000 0.869 1274 R CB 0.819 31.077 30.300 -0.070 0.000 1.264 1274 R HN 0.175 nan 8.270 nan 0.000 0.481 1275 G N 0.566 109.367 108.800 0.003 0.000 2.549 1275 G HA2 -0.058 3.904 3.960 0.003 0.000 0.404 1275 G HA3 -0.058 3.904 3.960 0.003 0.000 0.404 1275 G C -1.650 173.317 174.900 0.111 0.000 1.292 1275 G CA -0.439 44.697 45.100 0.060 0.000 0.935 1275 G HN 0.554 nan 8.290 nan 0.000 0.512 1276 V N 1.049 121.037 119.914 0.124 0.000 2.667 1276 V HA 0.596 4.718 4.120 0.003 0.000 0.308 1276 V C 0.770 176.888 176.094 0.041 0.000 1.048 1276 V CA -0.016 62.328 62.300 0.074 0.000 0.928 1276 V CB 1.589 33.431 31.823 0.031 0.000 1.004 1276 V HN 1.129 nan 8.190 nan 0.000 0.444 1277 E N 3.492 123.652 120.200 -0.067 0.000 2.404 1277 E HA 0.209 4.561 4.350 0.003 0.000 0.261 1277 E C 0.241 176.709 176.600 -0.220 0.000 1.074 1277 E CA -0.116 56.113 56.400 -0.285 0.000 0.917 1277 E CB 0.259 29.836 29.700 -0.204 0.000 0.965 1277 E HN 0.646 nan 8.360 nan 0.000 0.433 1278 N N 0.089 118.613 118.700 -0.292 0.000 2.884 1278 N HA -0.216 4.526 4.740 0.003 0.000 0.210 1278 N C -0.169 175.292 175.510 -0.082 0.000 0.941 1278 N CA 1.625 54.585 53.050 -0.150 0.000 1.131 1278 N CB -1.345 37.086 38.487 -0.094 0.000 0.965 1278 N HN 0.605 nan 8.380 nan 0.000 0.591 1279 I N 2.888 123.427 120.570 -0.051 0.000 2.311 1279 I HA 0.018 4.190 4.170 0.003 0.000 0.297 1279 I C 1.500 177.652 176.117 0.059 0.000 1.131 1279 I CA 0.280 61.588 61.300 0.013 0.000 1.289 1279 I CB 0.271 38.291 38.000 0.032 0.000 1.446 1279 I HN 0.143 nan 8.210 nan 0.000 0.524 1280 E N 5.371 125.596 120.200 0.041 0.000 2.013 1280 E HA 0.071 4.423 4.350 0.003 0.000 0.194 1280 E C 0.799 177.426 176.600 0.044 0.000 0.973 1280 E CA 0.444 56.879 56.400 0.058 0.000 0.842 1280 E CB 0.212 29.930 29.700 0.029 0.000 0.801 1280 E HN 0.514 nan 8.360 nan 0.000 0.476 1281 R N 0.205 120.715 120.500 0.017 0.000 2.668 1281 R HA 0.466 4.808 4.340 0.003 0.000 0.268 1281 R C -0.839 175.484 176.300 0.039 0.000 1.232 1281 R CA -0.284 55.815 56.100 -0.002 0.000 1.166 1281 R CB 0.826 31.112 30.300 -0.024 0.000 1.179 1281 R HN 0.025 nan 8.270 nan 0.000 0.606 1282 V N 0.732 120.684 119.914 0.065 0.000 2.859 1282 V HA 0.114 4.236 4.120 0.003 0.000 0.276 1282 V C -1.211 174.965 176.094 0.136 0.000 1.496 1282 V CA -0.741 61.611 62.300 0.086 0.000 0.929 1282 V CB 2.062 33.936 31.823 0.084 0.000 1.147 1282 V HN 0.419 nan 8.190 nan 0.000 0.449 1283 V N 5.252 125.223 119.914 0.095 0.000 2.769 1283 V HA 0.600 4.722 4.120 0.003 0.000 0.312 1283 V C -0.094 176.055 176.094 0.092 0.000 1.061 1283 V CA -0.728 61.641 62.300 0.116 0.000 0.931 1283 V CB 2.276 34.160 31.823 0.100 0.000 1.010 1283 V HN 0.821 nan 8.190 nan 0.000 0.433 1284 M N 5.012 124.690 119.600 0.130 0.000 2.088 1284 M HA 0.546 5.028 4.480 0.003 0.000 0.346 1284 M C -0.892 175.615 176.300 0.345 0.000 1.111 1284 M CA -0.028 55.401 55.300 0.216 0.000 1.017 1284 M CB 1.205 33.896 32.600 0.152 0.000 1.568 1284 M HN 0.422 nan 8.290 nan 0.000 0.445 1285 M N 2.339 122.075 119.600 0.226 0.000 2.535 1285 M HA 0.408 4.890 4.480 0.003 0.000 0.314 1285 M C -0.542 175.691 176.300 -0.112 0.000 1.153 1285 M CA -0.552 54.818 55.300 0.116 0.000 0.924 1285 M CB 2.362 35.049 32.600 0.144 0.000 1.710 1285 M HN 0.515 nan 8.290 nan 0.000 0.451 1286 K N 2.244 122.459 120.400 -0.308 0.000 2.244 1286 K HA 0.338 4.660 4.320 0.003 0.000 0.263 1286 K C -1.087 175.457 176.600 -0.094 0.000 1.103 1286 K CA -0.095 55.853 56.287 -0.565 0.000 0.966 1286 K CB 0.364 32.377 32.500 -0.813 0.000 1.429 1286 K HN 0.538 nan 8.250 nan 0.000 0.434 1287 Y N 1.216 121.388 120.300 -0.213 0.000 2.330 1287 Y HA -0.022 4.530 4.550 0.003 0.000 0.341 1287 Y C 0.840 176.694 175.900 -0.076 0.000 1.278 1287 Y CA -0.565 57.479 58.100 -0.093 0.000 1.453 1287 Y CB 0.774 39.224 38.460 -0.017 0.000 1.342 1287 Y HN 0.431 nan 8.280 nan 0.000 0.590 1288 D N 2.215 122.637 120.400 0.037 0.000 2.193 1288 D HA 0.271 4.913 4.640 0.003 0.000 0.244 1288 D C -0.746 175.587 176.300 0.055 0.000 1.064 1288 D CA -0.361 53.647 54.000 0.013 0.000 0.845 1288 D CB 1.676 42.456 40.800 -0.033 0.000 1.148 1288 D HN 0.396 nan 8.370 nan 0.000 0.464 1289 R N 2.451 122.992 120.500 0.067 0.000 2.515 1289 R HA 0.204 4.546 4.340 0.003 0.000 0.291 1289 R C -0.715 175.638 176.300 0.088 0.000 1.046 1289 R CA -0.690 55.462 56.100 0.088 0.000 0.914 1289 R CB 1.454 31.823 30.300 0.115 0.000 1.191 1289 R HN 0.238 nan 8.270 nan 0.000 0.435 1290 K N 2.207 122.673 120.400 0.110 0.000 2.295 1290 K HA 0.383 4.705 4.320 0.003 0.000 0.270 1290 K C -0.773 175.968 176.600 0.236 0.000 1.011 1290 K CA -0.329 56.068 56.287 0.182 0.000 0.953 1290 K CB 1.496 34.113 32.500 0.194 0.000 0.956 1290 K HN 0.240 nan 8.250 nan 0.000 0.477 1291 V N 3.597 123.626 119.914 0.192 0.000 2.817 1291 V HA 0.184 4.306 4.120 0.003 0.000 0.303 1291 V C -2.567 173.356 176.094 -0.285 0.000 1.151 1291 V CA -1.977 60.318 62.300 -0.008 0.000 0.929 1291 V CB 2.036 33.851 31.823 -0.013 0.000 1.030 1291 V HN 0.667 nan 8.190 nan 0.000 0.427 1292 P HA 0.129 nan 4.420 nan 0.000 0.263 1292 P C -0.349 176.773 177.300 -0.298 0.000 1.195 1292 P CA 0.581 63.280 63.100 -0.669 0.000 0.762 1292 P CB 0.610 31.950 31.700 -0.599 0.000 0.799 1293 S N 5.019 120.591 115.700 -0.213 0.000 2.646 1293 S HA 0.361 4.833 4.470 0.003 0.000 0.276 1293 S C -1.147 173.392 174.600 -0.100 0.000 1.222 1293 S CA -1.878 56.254 58.200 -0.114 0.000 1.014 1293 S CB 0.118 63.278 63.200 -0.067 0.000 0.991 1293 S HN 0.277 nan 8.310 nan 0.000 0.533 1294 P HA -0.143 nan 4.420 nan 0.000 0.217 1294 P C 1.303 178.574 177.300 -0.049 0.000 1.148 1294 P CA 1.596 64.662 63.100 -0.058 0.000 0.834 1294 P CB -0.419 31.258 31.700 -0.039 0.000 0.783 1295 T N -3.101 111.430 114.554 -0.039 0.000 3.160 1295 T HA 0.255 4.607 4.350 0.003 0.000 0.257 1295 T C 1.403 176.089 174.700 -0.023 0.000 1.147 1295 T CA 1.437 63.524 62.100 -0.022 0.000 1.064 1295 T CB -0.684 68.179 68.868 -0.008 0.000 0.949 1295 T HN 0.338 nan 8.240 nan 0.000 0.526 1296 G N 0.721 109.489 108.800 -0.052 0.000 2.493 1296 G HA2 -0.177 3.785 3.960 0.003 0.000 0.206 1296 G HA3 -0.177 3.785 3.960 0.003 0.000 0.206 1296 G C -0.195 174.678 174.900 -0.045 0.000 1.109 1296 G CA -0.120 44.947 45.100 -0.054 0.000 0.689 1296 G HN 0.626 nan 8.290 nan 0.000 0.516 1297 E N 0.527 120.725 120.200 -0.003 0.000 2.404 1297 E HA 0.524 4.876 4.350 0.003 0.000 0.261 1297 E C -0.439 176.174 176.600 0.021 0.000 1.074 1297 E CA -0.274 56.157 56.400 0.052 0.000 0.917 1297 E CB 0.417 30.151 29.700 0.056 0.000 0.965 1297 E HN 0.400 nan 8.360 nan 0.000 0.433 1298 Y N 0.608 120.909 120.300 0.002 0.000 2.319 1298 Y HA 0.303 4.855 4.550 0.004 0.000 0.328 1298 Y C 0.244 176.145 175.900 0.000 0.000 1.133 1298 Y CA -0.264 57.836 58.100 0.000 0.000 1.265 1298 Y CB 0.703 39.165 38.460 0.004 0.000 1.218 1298 Y HN 0.211 nan 8.280 nan 0.000 0.508 1299 V N 3.003 122.978 119.914 0.102 0.000 3.182 1299 V HA 0.460 4.582 4.120 0.003 0.000 0.311 1299 V C -0.859 175.279 176.094 0.074 0.000 1.221 1299 V CA -1.630 60.709 62.300 0.065 0.000 1.060 1299 V CB 2.191 34.026 31.823 0.020 0.000 1.164 1299 V HN 0.500 nan 8.190 nan 0.000 0.466 1300 K N 1.769 122.196 120.400 0.046 0.000 2.389 1300 K HA 0.415 4.737 4.320 0.003 0.000 0.261 1300 K C -0.735 175.879 176.600 0.024 0.000 1.014 1300 K CA -0.198 56.113 56.287 0.039 0.000 0.920 1300 K CB 1.592 34.107 32.500 0.025 0.000 1.149 1300 K HN 0.619 nan 8.250 nan 0.000 0.444 1301 E N 5.393 125.610 120.200 0.029 0.000 2.173 1301 E HA 0.170 4.522 4.350 0.003 0.000 0.249 1301 E C -2.197 174.413 176.600 0.017 0.000 0.923 1301 E CA -2.216 54.196 56.400 0.020 0.000 0.754 1301 E CB 0.769 30.482 29.700 0.021 0.000 1.177 1301 E HN 0.312 nan 8.360 nan 0.000 0.430 1302 P HA -0.060 nan 4.420 nan 0.000 0.267 1302 P C -0.922 176.338 177.300 -0.066 0.000 1.200 1302 P CA 0.356 63.425 63.100 -0.051 0.000 0.772 1302 P CB 0.707 32.344 31.700 -0.104 0.000 0.855 1303 E N 1.063 121.214 120.200 -0.082 0.000 2.356 1303 E HA 0.407 4.759 4.350 0.003 0.000 0.275 1303 E C -1.417 175.081 176.600 -0.171 0.000 0.904 1303 E CA -1.008 55.361 56.400 -0.051 0.000 0.757 1303 E CB 0.736 30.492 29.700 0.092 0.000 1.232 1303 E HN 0.266 nan 8.360 nan 0.000 0.442 1304 W N 1.793 123.108 121.300 0.025 0.000 2.238 1304 W HA 0.465 5.127 4.660 0.003 0.000 0.321 1304 W C -0.554 175.889 176.519 -0.126 0.000 1.293 1304 W CA -0.107 57.217 57.345 -0.036 0.000 1.204 1304 W CB 1.304 30.749 29.460 -0.025 0.000 1.167 1304 W HN 0.260 nan 8.180 nan 0.000 0.553 1305 V N 4.709 124.585 119.914 -0.063 0.000 2.888 1305 V HA 0.397 4.519 4.120 0.003 0.000 0.309 1305 V C -0.449 175.475 176.094 -0.284 0.000 1.114 1305 V CA -1.230 60.831 62.300 -0.398 0.000 0.940 1305 V CB 1.884 33.072 31.823 -1.058 0.000 1.021 1305 V HN 0.273 nan 8.190 nan 0.000 0.426 1306 L N 3.467 124.536 121.223 -0.256 0.000 2.282 1306 L HA 0.601 4.943 4.340 0.003 0.000 0.288 1306 L C -0.021 176.757 176.870 -0.154 0.000 1.033 1306 L CA -0.408 54.353 54.840 -0.131 0.000 0.807 1306 L CB 1.605 43.627 42.059 -0.062 0.000 1.209 1306 L HN 0.637 nan 8.230 nan 0.000 0.423 1307 E N 1.356 121.508 120.200 -0.079 0.000 2.214 1307 E HA 0.455 4.807 4.350 0.003 0.000 0.274 1307 E C -0.769 175.839 176.600 0.013 0.000 0.977 1307 E CA -0.398 55.988 56.400 -0.023 0.000 0.827 1307 E CB 2.222 31.943 29.700 0.035 0.000 1.130 1307 E HN 0.407 nan 8.360 nan 0.000 0.394 1308 T N 1.236 115.806 114.554 0.026 0.000 2.912 1308 T HA 0.250 4.602 4.350 0.003 0.000 0.288 1308 T C -1.064 173.656 174.700 0.034 0.000 1.030 1308 T CA -0.750 61.368 62.100 0.030 0.000 1.020 1308 T CB 0.786 69.668 68.868 0.024 0.000 1.056 1308 T HN 0.276 nan 8.240 nan 0.000 0.480 1309 D N 2.064 122.481 120.400 0.028 0.000 2.863 1309 D HA 0.499 5.141 4.640 0.003 0.000 0.323 1309 D C 0.105 176.414 176.300 0.015 0.000 1.286 1309 D CA 0.024 54.038 54.000 0.023 0.000 0.921 1309 D CB 0.607 41.417 40.800 0.017 0.000 1.024 1309 D HN 0.826 nan 8.370 nan 0.000 0.505 1310 G N -0.780 108.028 108.800 0.013 0.000 2.351 1310 G HA2 0.239 4.201 3.960 0.003 0.000 0.296 1310 G HA3 0.239 4.201 3.960 0.003 0.000 0.296 1310 G C -1.616 173.282 174.900 -0.003 0.000 1.685 1310 G CA -0.628 44.472 45.100 0.000 0.000 0.936 1310 G HN 0.054 nan 8.290 nan 0.000 0.714 1311 V N 2.045 121.951 119.914 -0.014 0.000 2.628 1311 V HA 0.834 4.956 4.120 0.003 0.000 0.306 1311 V C -0.321 175.757 176.094 -0.026 0.000 1.045 1311 V CA -0.854 61.435 62.300 -0.017 0.000 0.905 1311 V CB 2.079 33.890 31.823 -0.021 0.000 0.997 1311 V HN 0.887 nan 8.190 nan 0.000 0.436 1312 N N 3.839 122.527 118.700 -0.021 0.000 3.211 1312 N HA 0.044 4.786 4.740 0.003 0.000 0.183 1312 N C 0.037 175.541 175.510 -0.011 0.000 1.447 1312 N CA -0.320 52.717 53.050 -0.022 0.000 0.840 1312 N CB 0.912 39.384 38.487 -0.026 0.000 1.611 1312 N HN 0.489 nan 8.380 nan 0.000 0.610 1313 L N 2.336 123.552 121.223 -0.012 0.000 1.970 1313 L HA -0.102 4.240 4.340 0.003 0.000 0.212 1313 L C 2.331 179.204 176.870 0.005 0.000 1.071 1313 L CA 2.795 57.634 54.840 -0.001 0.000 0.751 1313 L CB -1.049 41.005 42.059 -0.008 0.000 0.889 1313 L HN 0.573 nan 8.230 nan 0.000 0.432 1314 S N -1.159 114.541 115.700 -0.001 0.000 2.422 1314 S HA -0.344 4.128 4.470 0.003 0.000 0.241 1314 S C 1.776 176.379 174.600 0.005 0.000 1.076 1314 S CA 2.081 60.282 58.200 0.001 0.000 1.066 1314 S CB -0.868 62.329 63.200 -0.005 0.000 0.890 1314 S HN 0.710 nan 8.310 nan 0.000 0.465 1315 E N 0.047 120.249 120.200 0.003 0.000 2.364 1315 E HA 0.133 4.485 4.350 0.003 0.000 0.196 1315 E C 1.918 178.526 176.600 0.012 0.000 0.990 1315 E CA 0.502 56.905 56.400 0.006 0.000 0.886 1315 E CB 0.152 29.853 29.700 0.001 0.000 0.866 1315 E HN 0.456 nan 8.360 nan 0.000 0.493 1316 V N 1.199 121.123 119.914 0.016 0.000 2.591 1316 V HA -0.209 3.913 4.120 0.003 0.000 0.249 1316 V C 2.214 178.327 176.094 0.031 0.000 1.053 1316 V CA 1.226 63.540 62.300 0.023 0.000 1.068 1316 V CB -0.382 31.456 31.823 0.025 0.000 0.689 1316 V HN 0.285 nan 8.190 nan 0.000 0.462 1317 M N 0.776 120.396 119.600 0.034 0.000 2.065 1317 M HA -0.216 4.266 4.480 0.003 0.000 0.259 1317 M C 2.525 178.846 176.300 0.034 0.000 1.069 1317 M CA 2.522 57.847 55.300 0.042 0.000 1.110 1317 M CB -1.068 31.556 32.600 0.039 0.000 1.328 1317 M HN 0.524 nan 8.290 nan 0.000 0.405 1318 T N 0.386 114.955 114.554 0.025 0.000 2.822 1318 T HA -0.069 4.283 4.350 0.003 0.000 0.270 1318 T C 0.739 175.450 174.700 0.019 0.000 1.064 1318 T CA 0.512 62.624 62.100 0.020 0.000 1.131 1318 T CB -0.715 68.162 68.868 0.014 0.000 0.858 1318 T HN 0.133 nan 8.240 nan 0.000 0.483 1319 V N 4.728 124.654 119.914 0.020 0.000 2.814 1319 V HA 0.169 4.291 4.120 0.003 0.000 0.307 1319 V C -1.381 174.724 176.094 0.018 0.000 1.089 1319 V CA -1.078 61.231 62.300 0.016 0.000 1.212 1319 V CB 0.354 32.187 31.823 0.016 0.000 0.912 1319 V HN 0.521 nan 8.190 nan 0.000 0.497 1320 P HA 0.303 nan 4.420 nan 0.000 0.277 1320 P C 0.867 178.174 177.300 0.010 0.000 1.271 1320 P CA 0.697 63.803 63.100 0.010 0.000 0.795 1320 P CB 1.047 32.747 31.700 -0.001 0.000 1.101 1321 G N 0.588 109.397 108.800 0.015 0.000 2.674 1321 G HA2 -0.308 3.654 3.960 0.003 0.000 0.236 1321 G HA3 -0.308 3.654 3.960 0.003 0.000 0.236 1321 G C 0.535 175.466 174.900 0.053 0.000 1.178 1321 G CA 0.584 45.693 45.100 0.016 0.000 0.721 1321 G HN 0.841 nan 8.290 nan 0.000 0.515 1322 I N -0.371 120.230 120.570 0.052 0.000 2.882 1322 I HA 0.567 4.739 4.170 0.003 0.000 0.286 1322 I C -0.156 176.016 176.117 0.093 0.000 1.139 1322 I CA -0.249 61.099 61.300 0.079 0.000 1.379 1322 I CB 0.967 39.011 38.000 0.074 0.000 1.410 1322 I HN 0.064 nan 8.210 nan 0.000 0.594 1323 D N 6.701 127.175 120.400 0.123 0.000 2.456 1323 D HA 0.245 4.887 4.640 0.003 0.000 0.219 1323 D C -1.563 174.796 176.300 0.097 0.000 1.126 1323 D CA -2.452 51.609 54.000 0.102 0.000 0.890 1323 D CB 1.148 42.011 40.800 0.104 0.000 1.025 1323 D HN 0.409 nan 8.370 nan 0.000 0.511 1324 P HA -0.103 nan 4.420 nan 0.000 0.228 1324 P C 1.158 178.494 177.300 0.060 0.000 1.151 1324 P CA 0.621 63.763 63.100 0.069 0.000 0.770 1324 P CB 0.340 32.070 31.700 0.051 0.000 0.786 1325 T N 0.157 114.737 114.554 0.042 0.000 2.904 1325 T HA -0.025 4.327 4.350 0.003 0.000 0.267 1325 T C 1.772 176.477 174.700 0.008 0.000 1.059 1325 T CA 1.166 63.277 62.100 0.019 0.000 1.137 1325 T CB -0.156 68.711 68.868 -0.002 0.000 0.879 1325 T HN 0.307 nan 8.240 nan 0.000 0.467 1326 R N -0.233 120.269 120.500 0.003 0.000 2.307 1326 R HA 0.399 4.741 4.340 0.003 0.000 0.200 1326 R C 0.819 177.190 176.300 0.118 0.000 0.893 1326 R CA -0.257 55.801 56.100 -0.069 0.000 1.042 1326 R CB 0.158 30.242 30.300 -0.360 0.000 1.059 1326 R HN 0.309 nan 8.270 nan 0.000 0.530 1327 I N 1.847 122.552 120.570 0.224 0.000 3.017 1327 I HA -0.259 3.913 4.170 0.003 0.000 0.310 1327 I C -0.438 175.881 176.117 0.338 0.000 1.220 1327 I CA 0.996 62.477 61.300 0.302 0.000 1.450 1327 I CB 0.224 38.331 38.000 0.179 0.000 1.317 1327 I HN 0.048 nan 8.210 nan 0.000 0.570 1328 Y N 5.537 125.968 120.300 0.218 0.000 2.644 1328 Y HA 0.572 5.124 4.550 0.003 0.000 0.338 1328 Y C -0.890 175.101 175.900 0.151 0.000 1.119 1328 Y CA -0.537 57.672 58.100 0.182 0.000 1.060 1328 Y CB 2.069 40.668 38.460 0.230 0.000 1.294 1328 Y HN 0.539 nan 8.280 nan 0.000 0.472 1329 T N 2.290 116.266 114.554 -0.963 0.000 2.942 1329 T HA 0.150 4.502 4.350 0.003 0.000 0.327 1329 T C -0.408 173.830 174.700 -0.771 0.000 1.360 1329 T CA -0.724 61.034 62.100 -0.570 0.000 1.055 1329 T CB 1.098 69.816 68.868 -0.251 0.000 1.261 1329 T HN 0.693 nan 8.240 nan 0.000 0.485 1330 N N -0.039 118.547 118.700 -0.190 0.000 2.461 1330 N HA 0.031 4.773 4.740 0.003 0.000 0.188 1330 N C 0.685 176.285 175.510 0.150 0.000 1.134 1330 N CA -0.115 52.960 53.050 0.043 0.000 0.878 1330 N CB 0.376 38.963 38.487 0.166 0.000 0.972 1330 N HN 0.345 nan 8.380 nan 0.000 0.456 1331 S N 0.699 116.428 115.700 0.048 0.000 3.869 1331 S HA 0.157 4.629 4.470 0.003 0.000 0.241 1331 S C 0.733 175.366 174.600 0.055 0.000 1.363 1331 S CA -0.981 57.259 58.200 0.066 0.000 0.894 1331 S CB -1.285 61.894 63.200 -0.035 0.000 1.519 1331 S HN 0.377 nan 8.310 nan 0.000 0.470 1332 F N 2.163 122.093 119.950 -0.032 0.000 2.115 1332 F HA -0.163 4.366 4.527 0.003 0.000 0.300 1332 F C 1.753 177.553 175.800 0.000 0.000 1.092 1332 F CA 0.997 58.993 58.000 -0.007 0.000 1.245 1332 F CB -0.754 38.272 39.000 0.042 0.000 0.995 1332 F HN 0.422 nan 8.300 nan 0.000 0.481 1333 I N 1.284 121.523 120.570 -0.552 0.000 2.113 1333 I HA -0.355 3.817 4.170 0.003 0.000 0.242 1333 I C 2.400 178.427 176.117 -0.150 0.000 1.064 1333 I CA 1.908 62.990 61.300 -0.363 0.000 1.320 1333 I CB -0.624 37.123 38.000 -0.421 0.000 1.028 1333 I HN 0.236 nan 8.210 nan 0.000 0.406 1334 D N 0.706 121.027 120.400 -0.132 0.000 2.104 1334 D HA -0.185 4.457 4.640 0.003 0.000 0.194 1334 D C 2.252 178.530 176.300 -0.036 0.000 0.994 1334 D CA 1.440 55.396 54.000 -0.072 0.000 0.830 1334 D CB -0.201 40.559 40.800 -0.067 0.000 0.959 1334 D HN 0.357 nan 8.370 nan 0.000 0.452 1335 I N 1.035 121.593 120.570 -0.020 0.000 2.335 1335 I HA -0.275 3.897 4.170 0.003 0.000 0.251 1335 I C 2.483 178.622 176.117 0.036 0.000 1.129 1335 I CA 0.652 61.961 61.300 0.015 0.000 1.402 1335 I CB -0.184 37.839 38.000 0.039 0.000 1.069 1335 I HN 0.102 nan 8.210 nan 0.000 0.424 1336 M N 1.229 120.848 119.600 0.032 0.000 2.101 1336 M HA -0.249 4.233 4.480 0.003 0.000 0.259 1336 M C 2.048 178.358 176.300 0.017 0.000 1.083 1336 M CA 2.018 57.340 55.300 0.036 0.000 1.114 1336 M CB -0.402 32.214 32.600 0.026 0.000 1.281 1336 M HN 0.049 nan 8.290 nan 0.000 0.422 1337 E N -0.353 119.844 120.200 -0.004 0.000 2.208 1337 E HA -0.238 4.114 4.350 0.003 0.000 0.202 1337 E C 1.894 178.495 176.600 0.001 0.000 1.014 1337 E CA 1.772 58.169 56.400 -0.007 0.000 0.819 1337 E CB -0.417 29.270 29.700 -0.021 0.000 0.735 1337 E HN 0.466 nan 8.360 nan 0.000 0.469 1338 V N 0.281 120.197 119.914 0.004 0.000 2.492 1338 V HA -0.073 4.049 4.120 0.003 0.000 0.241 1338 V C 1.855 177.960 176.094 0.018 0.000 1.041 1338 V CA 0.984 63.289 62.300 0.009 0.000 1.057 1338 V CB 0.012 31.839 31.823 0.007 0.000 0.711 1338 V HN 0.192 nan 8.190 nan 0.000 0.468 1339 L N -0.209 121.031 121.223 0.027 0.000 2.640 1339 L HA 0.565 4.907 4.340 0.003 0.000 0.230 1339 L C 0.918 177.810 176.870 0.036 0.000 1.123 1339 L CA 0.635 55.496 54.840 0.034 0.000 0.900 1339 L CB 0.054 42.141 42.059 0.047 0.000 1.146 1339 L HN 0.497 nan 8.230 nan 0.000 0.484 1340 G N 0.309 109.130 108.800 0.035 0.000 2.541 1340 G HA2 -0.193 3.769 3.960 0.003 0.000 0.686 1340 G HA3 -0.193 3.769 3.960 0.003 0.000 0.686 1340 G C -0.026 174.903 174.900 0.049 0.000 1.286 1340 G CA -0.172 44.950 45.100 0.037 0.000 0.894 1340 G HN -0.015 nan 8.290 nan 0.000 0.575 1341 I N -0.418 120.182 120.570 0.050 0.000 2.584 1341 I HA 0.062 4.234 4.170 0.003 0.000 0.255 1341 I C 2.313 178.473 176.117 0.072 0.000 1.145 1341 I CA 1.128 62.466 61.300 0.064 0.000 1.462 1341 I CB -0.101 37.935 38.000 0.060 0.000 1.102 1341 I HN 0.629 nan 8.210 nan 0.000 0.433 1342 E N 1.239 121.476 120.200 0.061 0.000 2.171 1342 E HA -0.238 4.114 4.350 0.003 0.000 0.197 1342 E C 2.107 178.747 176.600 0.068 0.000 0.997 1342 E CA 1.416 57.852 56.400 0.060 0.000 0.810 1342 E CB -0.120 29.608 29.700 0.046 0.000 0.738 1342 E HN 0.649 nan 8.360 nan 0.000 0.467 1343 A N 0.532 123.395 122.820 0.072 0.000 1.854 1343 A HA -0.012 4.311 4.320 0.003 0.000 0.214 1343 A C 2.499 180.156 177.584 0.121 0.000 1.192 1343 A CA 1.672 53.762 52.037 0.088 0.000 0.611 1343 A CB -1.074 17.976 19.000 0.083 0.000 0.832 1343 A HN 0.336 nan 8.150 nan 0.000 0.442 1344 G N -0.233 108.640 108.800 0.121 0.000 2.513 1344 G HA2 -0.359 3.603 3.960 0.003 0.000 0.219 1344 G HA3 -0.359 3.603 3.960 0.003 0.000 0.219 1344 G C 1.758 176.765 174.900 0.178 0.000 1.160 1344 G CA 1.302 46.501 45.100 0.165 0.000 0.767 1344 G HN 0.546 nan 8.290 nan 0.000 0.571 1345 R N 0.706 121.288 120.500 0.138 0.000 2.094 1345 R HA -0.130 4.212 4.340 0.003 0.000 0.239 1345 R C 2.937 179.323 176.300 0.144 0.000 1.137 1345 R CA 1.822 57.998 56.100 0.126 0.000 0.943 1345 R CB -0.656 29.700 30.300 0.094 0.000 0.850 1345 R HN 0.313 nan 8.270 nan 0.000 0.433 1346 A N 0.836 123.734 122.820 0.130 0.000 1.859 1346 A HA -0.280 4.042 4.320 0.003 0.000 0.218 1346 A C 2.426 180.142 177.584 0.220 0.000 1.242 1346 A CA 2.685 54.806 52.037 0.140 0.000 0.661 1346 A CB -1.401 17.663 19.000 0.108 0.000 0.842 1346 A HN 0.617 nan 8.150 nan 0.000 0.455 1347 A N -0.927 122.043 122.820 0.250 0.000 1.884 1347 A HA -0.165 4.157 4.320 0.003 0.000 0.219 1347 A C 2.160 179.850 177.584 0.177 0.000 1.197 1347 A CA 2.188 54.415 52.037 0.316 0.000 0.637 1347 A CB -0.892 18.303 19.000 0.326 0.000 0.827 1347 A HN 1.034 nan 8.150 nan 0.000 0.450 1348 L N -1.483 119.796 121.223 0.093 0.000 2.064 1348 L HA -0.253 4.089 4.340 0.003 0.000 0.216 1348 L C 2.275 179.118 176.870 -0.046 0.000 1.077 1348 L CA 2.793 57.551 54.840 -0.135 0.000 0.766 1348 L CB -0.898 41.148 42.059 -0.022 0.000 0.890 1348 L HN 0.604 nan 8.230 nan 0.000 0.435 1349 Y N -0.201 120.093 120.300 -0.010 0.000 2.176 1349 Y HA -0.189 4.363 4.550 0.003 0.000 0.291 1349 Y C 2.721 178.676 175.900 0.092 0.000 1.122 1349 Y CA 1.912 60.031 58.100 0.031 0.000 1.128 1349 Y CB -0.239 38.252 38.460 0.052 0.000 1.005 1349 Y HN 0.147 nan 8.280 nan 0.000 0.509 1350 K N 0.162 120.829 120.400 0.446 0.000 2.107 1350 K HA -0.313 4.009 4.320 0.003 0.000 0.211 1350 K C 1.854 178.566 176.600 0.187 0.000 1.049 1350 K CA 2.143 58.620 56.287 0.317 0.000 0.927 1350 K CB -0.144 32.507 32.500 0.252 0.000 0.714 1350 K HN 0.322 nan 8.250 nan 0.000 0.452 1351 E N -0.050 120.219 120.200 0.115 0.000 1.998 1351 E HA -0.125 4.227 4.350 0.003 0.000 0.195 1351 E C 1.885 178.465 176.600 -0.034 0.000 0.994 1351 E CA 1.406 57.828 56.400 0.037 0.000 0.835 1351 E CB -0.573 29.061 29.700 -0.111 0.000 0.786 1351 E HN 0.060 nan 8.360 nan 0.000 0.467 1352 V N 0.899 120.733 119.914 -0.134 0.000 2.257 1352 V HA -0.382 3.740 4.120 0.003 0.000 0.257 1352 V C 2.195 178.197 176.094 -0.153 0.000 1.077 1352 V CA 2.535 64.740 62.300 -0.158 0.000 1.063 1352 V CB -0.909 30.793 31.823 -0.202 0.000 0.664 1352 V HN 0.437 nan 8.190 nan 0.000 0.450 1353 Y N 1.535 121.609 120.300 -0.376 0.000 2.002 1353 Y HA -0.356 4.197 4.550 0.003 0.000 0.268 1353 Y C 2.648 178.480 175.900 -0.114 0.000 1.177 1353 Y CA 2.461 60.374 58.100 -0.312 0.000 1.111 1353 Y CB -0.658 37.575 38.460 -0.378 0.000 0.952 1353 Y HN 0.285 nan 8.280 nan 0.000 0.491 1354 N N -0.042 118.716 118.700 0.096 0.000 2.137 1354 N HA -0.218 4.524 4.740 0.003 0.000 0.190 1354 N C 1.919 177.383 175.510 -0.078 0.000 1.017 1354 N CA 1.721 54.788 53.050 0.029 0.000 0.859 1354 N CB -0.446 38.122 38.487 0.134 0.000 1.002 1354 N HN 0.342 nan 8.380 nan 0.000 0.428 1355 V N 1.868 121.737 119.914 -0.076 0.000 2.255 1355 V HA -0.208 3.914 4.120 0.003 0.000 0.247 1355 V C 2.241 178.264 176.094 -0.118 0.000 1.051 1355 V CA 1.408 63.663 62.300 -0.075 0.000 1.018 1355 V CB -0.277 31.505 31.823 -0.069 0.000 0.641 1355 V HN 0.238 nan 8.190 nan 0.000 0.445 1356 I N 0.023 120.485 120.570 -0.180 0.000 2.439 1356 I HA -0.127 4.045 4.170 0.003 0.000 0.251 1356 I C 2.405 178.382 176.117 -0.233 0.000 1.139 1356 I CA 1.313 62.493 61.300 -0.200 0.000 1.438 1356 I CB -0.452 37.411 38.000 -0.227 0.000 1.085 1356 I HN 0.279 nan 8.210 nan 0.000 0.427 1357 A N 0.503 123.109 122.820 -0.358 0.000 2.081 1357 A HA -0.064 4.258 4.320 0.003 0.000 0.214 1357 A C 2.380 179.870 177.584 -0.157 0.000 1.158 1357 A CA 0.979 52.823 52.037 -0.322 0.000 0.724 1357 A CB -0.473 18.152 19.000 -0.625 0.000 0.826 1357 A HN 0.450 nan 8.150 nan 0.000 0.463 1358 S N -0.230 115.397 115.700 -0.122 0.000 2.469 1358 S HA -0.132 4.340 4.470 0.003 0.000 0.238 1358 S C 1.017 175.588 174.600 -0.049 0.000 0.998 1358 S CA 1.268 59.434 58.200 -0.058 0.000 0.957 1358 S CB -0.305 62.874 63.200 -0.036 0.000 0.764 1358 S HN 0.525 nan 8.310 nan 0.000 0.514 1359 D N 0.937 121.299 120.400 -0.064 0.000 2.370 1359 D HA 0.253 4.895 4.640 0.003 0.000 0.230 1359 D C 1.499 177.775 176.300 -0.040 0.000 1.143 1359 D CA 0.550 54.522 54.000 -0.047 0.000 0.834 1359 D CB 0.050 40.818 40.800 -0.053 0.000 0.944 1359 D HN 0.552 nan 8.370 nan 0.000 0.504 1360 G N 0.822 109.597 108.800 -0.042 0.000 2.451 1360 G HA2 -0.328 3.634 3.960 0.003 0.000 0.253 1360 G HA3 -0.328 3.634 3.960 0.003 0.000 0.253 1360 G C 0.745 175.636 174.900 -0.014 0.000 1.033 1360 G CA 0.666 45.751 45.100 -0.025 0.000 0.633 1360 G HN 0.392 nan 8.290 nan 0.000 0.537 1361 S N 0.165 115.850 115.700 -0.026 0.000 2.568 1361 S HA 0.486 4.958 4.470 0.003 0.000 0.282 1361 S C -0.221 174.389 174.600 0.015 0.000 1.338 1361 S CA 0.183 58.377 58.200 -0.009 0.000 1.045 1361 S CB 1.010 64.183 63.200 -0.045 0.000 0.873 1361 S HN 0.768 nan 8.310 nan 0.000 0.516 1362 Y N 1.874 122.137 120.300 -0.061 0.000 2.549 1362 Y HA 0.712 5.264 4.550 0.003 0.000 0.339 1362 Y C -1.058 174.840 175.900 -0.004 0.000 1.053 1362 Y CA -1.113 56.965 58.100 -0.036 0.000 1.105 1362 Y CB 1.064 39.530 38.460 0.008 0.000 1.258 1362 Y HN 0.368 nan 8.280 nan 0.000 0.478 1363 V N 4.203 123.490 119.914 -1.045 0.000 2.817 1363 V HA 0.196 4.318 4.120 0.003 0.000 0.303 1363 V C -0.809 174.765 176.094 -0.865 0.000 1.151 1363 V CA -1.417 60.416 62.300 -0.778 0.000 0.929 1363 V CB 1.779 33.414 31.823 -0.313 0.000 1.030 1363 V HN 0.891 nan 8.190 nan 0.000 0.427 1364 N N 2.256 120.697 118.700 -0.432 0.000 2.407 1364 N HA 0.014 4.757 4.740 0.003 0.000 0.250 1364 N C 0.915 176.561 175.510 0.228 0.000 1.236 1364 N CA 0.116 53.199 53.050 0.055 0.000 0.879 1364 N CB 0.492 39.098 38.487 0.198 0.000 1.088 1364 N HN 0.696 nan 8.380 nan 0.000 0.450 1365 Y N 4.564 125.011 120.300 0.244 0.000 1.930 1365 Y HA -0.441 4.111 4.550 0.003 0.000 0.241 1365 Y C 2.286 178.273 175.900 0.145 0.000 1.104 1365 Y CA 2.817 61.088 58.100 0.286 0.000 1.060 1365 Y CB -0.516 38.074 38.460 0.215 0.000 0.932 1365 Y HN 0.759 nan 8.280 nan 0.000 0.496 1366 R N -0.883 119.618 120.500 0.002 0.000 2.301 1366 R HA -0.387 3.955 4.340 0.003 0.000 0.250 1366 R C 1.901 178.088 176.300 -0.188 0.000 1.102 1366 R CA 2.292 58.242 56.100 -0.249 0.000 0.933 1366 R CB -1.944 28.084 30.300 -0.454 0.000 0.955 1366 R HN 0.570 nan 8.270 nan 0.000 0.439 1367 H N 0.733 119.804 119.070 0.002 0.000 2.252 1367 H HA -0.140 4.418 4.556 0.003 0.000 0.292 1367 H C 2.394 177.697 175.328 -0.043 0.000 1.082 1367 H CA 2.337 58.385 56.048 -0.000 0.000 1.229 1367 H CB -0.461 29.285 29.762 -0.026 0.000 1.353 1367 H HN 0.359 nan 8.280 nan 0.000 0.488 1368 M N 0.051 119.702 119.600 0.085 0.000 2.175 1368 M HA -0.089 4.393 4.480 0.003 0.000 0.264 1368 M C 2.801 179.099 176.300 -0.004 0.000 1.063 1368 M CA 1.140 56.446 55.300 0.010 0.000 1.119 1368 M CB -0.254 32.315 32.600 -0.051 0.000 1.377 1368 M HN 0.247 nan 8.290 nan 0.000 0.415 1369 A N 1.142 123.886 122.820 -0.126 0.000 1.863 1369 A HA -0.264 4.058 4.320 0.003 0.000 0.218 1369 A C 2.104 179.629 177.584 -0.099 0.000 1.233 1369 A CA 2.146 54.016 52.037 -0.277 0.000 0.655 1369 A CB -1.264 17.323 19.000 -0.688 0.000 0.839 1369 A HN 0.442 nan 8.150 nan 0.000 0.454 1370 L N -0.792 120.393 121.223 -0.062 0.000 2.030 1370 L HA -0.242 4.100 4.340 0.003 0.000 0.222 1370 L C 2.355 179.211 176.870 -0.023 0.000 1.082 1370 L CA 2.621 57.456 54.840 -0.009 0.000 0.785 1370 L CB -0.781 41.301 42.059 0.037 0.000 0.895 1370 L HN 0.504 nan 8.230 nan 0.000 0.439 1371 L N -1.210 119.998 121.223 -0.025 0.000 1.944 1371 L HA -0.219 4.123 4.340 0.003 0.000 0.218 1371 L C 2.428 179.284 176.870 -0.024 0.000 1.075 1371 L CA 2.336 57.152 54.840 -0.040 0.000 0.767 1371 L CB -1.063 40.970 42.059 -0.045 0.000 0.890 1371 L HN 0.139 nan 8.230 nan 0.000 0.434 1372 V N 0.444 120.356 119.914 -0.003 0.000 2.231 1372 V HA -0.408 3.714 4.120 0.003 0.000 0.250 1372 V C 2.428 178.538 176.094 0.027 0.000 1.058 1372 V CA 2.251 64.566 62.300 0.025 0.000 1.022 1372 V CB -1.029 30.838 31.823 0.072 0.000 0.640 1372 V HN 0.556 nan 8.190 nan 0.000 0.445 1373 D N -0.043 120.366 120.400 0.015 0.000 2.106 1373 D HA -0.167 4.475 4.640 0.003 0.000 0.191 1373 D C 2.169 178.473 176.300 0.006 0.000 0.997 1373 D CA 1.786 55.795 54.000 0.015 0.000 0.834 1373 D CB -0.464 40.338 40.800 0.003 0.000 0.956 1373 D HN 0.337 nan 8.370 nan 0.000 0.448 1374 V N 1.008 120.914 119.914 -0.014 0.000 2.546 1374 V HA -0.232 3.890 4.120 0.003 0.000 0.254 1374 V C 2.368 178.459 176.094 -0.006 0.000 1.076 1374 V CA 1.244 63.528 62.300 -0.027 0.000 1.087 1374 V CB -0.347 31.438 31.823 -0.063 0.000 0.674 1374 V HN 0.243 nan 8.190 nan 0.000 0.470 1375 M N -1.565 118.040 119.600 0.009 0.000 2.558 1375 M HA -0.039 4.443 4.480 0.003 0.000 0.255 1375 M C 1.661 177.999 176.300 0.063 0.000 1.113 1375 M CA 0.995 56.319 55.300 0.041 0.000 1.097 1375 M CB 0.223 32.852 32.600 0.048 0.000 1.426 1375 M HN 0.285 nan 8.290 nan 0.000 0.488 1376 T N -1.066 113.520 114.554 0.053 0.000 3.043 1376 T HA 0.053 4.405 4.350 0.003 0.000 0.272 1376 T C 1.497 176.228 174.700 0.052 0.000 0.990 1376 T CA 0.803 62.941 62.100 0.064 0.000 0.897 1376 T CB 0.199 69.111 68.868 0.073 0.000 1.111 1376 T HN 0.487 nan 8.240 nan 0.000 0.529 1377 T N 0.271 114.846 114.554 0.036 0.000 2.821 1377 T HA -0.017 4.335 4.350 0.003 0.000 0.267 1377 T C 1.491 176.212 174.700 0.035 0.000 1.046 1377 T CA 0.783 62.901 62.100 0.031 0.000 1.139 1377 T CB -0.332 68.541 68.868 0.007 0.000 0.871 1377 T HN 0.258 nan 8.240 nan 0.000 0.454 1378 Q N 1.385 121.205 119.800 0.034 0.000 2.294 1378 Q HA 0.242 4.584 4.340 0.003 0.000 0.207 1378 Q C 1.665 177.689 176.000 0.039 0.000 0.887 1378 Q CA 0.223 56.047 55.803 0.035 0.000 0.987 1378 Q CB -0.881 27.878 28.738 0.035 0.000 1.101 1378 Q HN 0.833 nan 8.270 nan 0.000 0.447 1379 G N -0.305 108.521 108.800 0.043 0.000 2.300 1379 G HA2 -0.342 3.620 3.960 0.003 0.000 0.267 1379 G HA3 -0.342 3.620 3.960 0.003 0.000 0.267 1379 G C 0.443 175.371 174.900 0.046 0.000 0.980 1379 G CA 0.457 45.583 45.100 0.044 0.000 0.635 1379 G HN 0.612 nan 8.290 nan 0.000 0.552 1380 G N -1.486 107.343 108.800 0.048 0.000 3.140 1380 G HA2 0.639 4.601 3.960 0.003 0.000 0.271 1380 G HA3 0.639 4.601 3.960 0.003 0.000 0.271 1380 G C -0.593 174.347 174.900 0.067 0.000 1.370 1380 G CA -1.042 44.087 45.100 0.050 0.000 1.014 1380 G HN 0.572 nan 8.290 nan 0.000 0.541 1381 L N 1.697 122.962 121.223 0.070 0.000 2.288 1381 L HA 0.295 4.637 4.340 0.003 0.000 0.283 1381 L C -0.044 176.885 176.870 0.098 0.000 1.072 1381 L CA -0.267 54.635 54.840 0.103 0.000 0.862 1381 L CB 0.740 42.859 42.059 0.101 0.000 1.245 1381 L HN 0.312 nan 8.230 nan 0.000 0.432 1382 T N 1.266 115.881 114.554 0.101 0.000 2.728 1382 T HA 0.193 4.546 4.350 0.003 0.000 0.296 1382 T C 0.544 175.320 174.700 0.126 0.000 0.940 1382 T CA -0.558 61.602 62.100 0.102 0.000 1.013 1382 T CB 0.954 69.876 68.868 0.090 0.000 0.912 1382 T HN 0.654 nan 8.240 nan 0.000 0.484 1383 S N 2.210 117.991 115.700 0.135 0.000 2.580 1383 S HA 0.105 4.577 4.470 0.003 0.000 0.266 1383 S C 1.176 175.889 174.600 0.188 0.000 1.354 1383 S CA -0.831 57.459 58.200 0.151 0.000 1.008 1383 S CB 0.494 63.782 63.200 0.147 0.000 0.898 1383 S HN 0.412 nan 8.310 nan 0.000 0.555 1384 V N 1.167 121.184 119.914 0.171 0.000 3.633 1384 V HA 0.083 4.205 4.120 0.003 0.000 0.283 1384 V C 0.986 177.272 176.094 0.319 0.000 1.305 1384 V CA 0.392 62.816 62.300 0.207 0.000 1.153 1384 V CB -1.652 30.196 31.823 0.041 0.000 0.950 1384 V HN 0.939 nan 8.190 nan 0.000 0.432 1385 T N 0.744 115.392 114.554 0.157 0.000 2.770 1385 T HA 0.179 4.532 4.350 0.003 0.000 0.281 1385 T C 1.603 176.155 174.700 -0.247 0.000 0.981 1385 T CA -0.465 61.633 62.100 -0.003 0.000 0.955 1385 T CB 0.853 69.635 68.868 -0.144 0.000 1.060 1385 T HN 0.446 nan 8.240 nan 0.000 0.531 1386 R N 0.529 120.834 120.500 -0.325 0.000 2.092 1386 R HA -0.116 4.226 4.340 0.003 0.000 0.231 1386 R C 1.451 177.549 176.300 -0.337 0.000 1.119 1386 R CA 1.436 57.308 56.100 -0.379 0.000 0.970 1386 R CB -0.825 29.418 30.300 -0.095 0.000 0.864 1386 R HN 0.620 nan 8.270 nan 0.000 0.440 1387 H N 0.246 119.271 119.070 -0.075 0.000 2.557 1387 H HA 0.045 4.603 4.556 0.003 0.000 0.287 1387 H C 1.734 177.023 175.328 -0.065 0.000 1.043 1387 H CA 1.215 57.231 56.048 -0.053 0.000 1.226 1387 H CB -0.205 29.554 29.762 -0.005 0.000 1.361 1387 H HN 0.561 nan 8.280 nan 0.000 0.592 1388 G N 0.396 109.170 108.800 -0.044 0.000 2.613 1388 G HA2 0.009 3.971 3.960 0.003 0.000 0.218 1388 G HA3 0.009 3.971 3.960 0.003 0.000 0.218 1388 G C 1.221 176.096 174.900 -0.043 0.000 1.508 1388 G CA 0.256 45.357 45.100 0.002 0.000 0.788 1388 G HN 0.361 nan 8.290 nan 0.000 0.603 1389 F N 1.262 121.152 119.950 -0.099 0.000 2.661 1389 F HA 0.325 4.854 4.527 0.003 0.000 0.298 1389 F C 1.622 177.332 175.800 -0.150 0.000 1.137 1389 F CA 0.668 58.589 58.000 -0.131 0.000 1.454 1389 F CB -0.395 38.498 39.000 -0.178 0.000 1.103 1389 F HN 0.070 nan 8.300 nan 0.000 0.577 1390 N N 0.562 118.815 118.700 -0.746 0.000 2.446 1390 N HA -0.002 4.740 4.740 0.003 0.000 0.179 1390 N C 1.877 177.267 175.510 -0.200 0.000 1.054 1390 N CA 0.301 53.073 53.050 -0.463 0.000 0.905 1390 N CB -0.168 38.012 38.487 -0.512 0.000 0.973 1390 N HN 0.328 nan 8.380 nan 0.000 0.448 1391 R N 0.767 121.172 120.500 -0.158 0.000 2.093 1391 R HA -0.094 4.248 4.340 0.003 0.000 0.224 1391 R C 1.724 177.998 176.300 -0.045 0.000 1.101 1391 R CA 1.316 57.369 56.100 -0.078 0.000 0.979 1391 R CB -0.156 30.115 30.300 -0.048 0.000 0.877 1391 R HN 0.239 nan 8.270 nan 0.000 0.441 1392 S N 0.859 116.543 115.700 -0.027 0.000 2.709 1392 S HA -0.346 4.126 4.470 0.003 0.000 0.340 1392 S C 0.696 175.297 174.600 0.001 0.000 1.366 1392 S CA 2.048 60.252 58.200 0.007 0.000 1.096 1392 S CB -0.685 62.537 63.200 0.037 0.000 1.016 1392 S HN 0.723 nan 8.310 nan 0.000 0.459 1393 N N -1.437 117.256 118.700 -0.011 0.000 2.963 1393 N HA -0.100 4.642 4.740 0.003 0.000 0.183 1393 N C -0.244 175.258 175.510 -0.014 0.000 0.994 1393 N CA 0.966 54.009 53.050 -0.010 0.000 1.070 1393 N CB -1.902 36.584 38.487 -0.003 0.000 0.991 1393 N HN 0.593 nan 8.380 nan 0.000 0.543 1394 T N 0.806 115.351 114.554 -0.015 0.000 2.766 1394 T HA 0.440 4.792 4.350 0.003 0.000 0.295 1394 T C 1.279 175.963 174.700 -0.025 0.000 1.024 1394 T CA 0.491 62.582 62.100 -0.014 0.000 1.018 1394 T CB 0.637 69.502 68.868 -0.005 0.000 1.002 1394 T HN 0.314 nan 8.240 nan 0.000 0.532 1395 G N -0.223 108.567 108.800 -0.016 0.000 2.690 1395 G HA2 0.359 4.321 3.960 0.003 0.000 0.239 1395 G HA3 0.359 4.321 3.960 0.003 0.000 0.239 1395 G C 1.201 176.071 174.900 -0.051 0.000 1.233 1395 G CA -0.132 44.959 45.100 -0.015 0.000 0.847 1395 G HN 0.844 nan 8.290 nan 0.000 0.588 1396 A N 0.935 123.698 122.820 -0.094 0.000 1.877 1396 A HA -0.065 4.257 4.320 0.003 0.000 0.216 1396 A C 2.476 179.965 177.584 -0.158 0.000 1.186 1396 A CA 1.479 53.383 52.037 -0.222 0.000 0.620 1396 A CB -0.500 18.166 19.000 -0.558 0.000 0.822 1396 A HN 0.601 nan 8.150 nan 0.000 0.443 1397 L N -1.212 119.972 121.223 -0.065 0.000 2.043 1397 L HA -0.276 4.066 4.340 0.003 0.000 0.212 1397 L C 2.919 179.779 176.870 -0.016 0.000 1.075 1397 L CA 1.678 56.506 54.840 -0.020 0.000 0.752 1397 L CB -0.588 41.496 42.059 0.042 0.000 0.891 1397 L HN 0.456 nan 8.230 nan 0.000 0.432 1398 M N -0.509 119.085 119.600 -0.009 0.000 2.065 1398 M HA -0.241 4.241 4.480 0.003 0.000 0.259 1398 M C 2.518 178.831 176.300 0.021 0.000 1.071 1398 M CA 1.915 57.221 55.300 0.010 0.000 1.109 1398 M CB -0.439 32.166 32.600 0.009 0.000 1.313 1398 M HN 0.182 nan 8.290 nan 0.000 0.408 1399 R N -0.810 119.682 120.500 -0.013 0.000 2.139 1399 R HA -0.172 4.170 4.340 0.003 0.000 0.243 1399 R C 2.278 178.583 176.300 0.008 0.000 1.145 1399 R CA 1.443 57.533 56.100 -0.017 0.000 0.976 1399 R CB -1.023 29.232 30.300 -0.075 0.000 0.866 1399 R HN 0.457 nan 8.270 nan 0.000 0.449 1400 C N 0.847 120.128 119.300 -0.032 0.000 2.398 1400 C HA -0.121 4.341 4.460 0.003 0.000 0.276 1400 C C 2.572 177.567 174.990 0.008 0.000 1.222 1400 C CA 1.613 60.605 59.018 -0.042 0.000 1.746 1400 C CB -0.842 26.862 27.740 -0.060 0.000 2.039 1400 C HN 0.602 nan 8.230 nan 0.000 0.470 1401 S N -1.655 114.074 115.700 0.048 0.000 2.881 1401 S HA 0.141 4.613 4.470 0.003 0.000 0.228 1401 S C -0.148 174.557 174.600 0.176 0.000 0.965 1401 S CA 0.066 58.313 58.200 0.078 0.000 0.998 1401 S CB -0.607 62.636 63.200 0.073 0.000 0.795 1401 S HN 0.562 nan 8.310 nan 0.000 0.518 1402 F N 1.087 121.018 119.950 -0.031 0.000 2.722 1402 F HA 0.301 4.830 4.527 0.003 0.000 0.336 1402 F C 0.475 176.239 175.800 -0.059 0.000 1.216 1402 F CA -0.765 57.219 58.000 -0.028 0.000 1.065 1402 F CB 0.753 39.756 39.000 0.005 0.000 1.325 1402 F HN 0.185 nan 8.300 nan 0.000 0.524 1403 E N 2.025 121.964 120.200 -0.436 0.000 5.314 1403 E HA -0.352 4.000 4.350 0.003 0.000 0.171 1403 E C -0.071 176.469 176.600 -0.100 0.000 1.207 1403 E CA 2.239 58.461 56.400 -0.297 0.000 1.788 1403 E CB -0.513 28.933 29.700 -0.424 0.000 1.852 1403 E HN 0.762 nan 8.360 nan 0.000 0.324 1404 E N 0.377 120.557 120.200 -0.033 0.000 3.896 1404 E HA 0.195 4.547 4.350 0.003 0.000 0.217 1404 E C 0.300 176.867 176.600 -0.055 0.000 1.150 1404 E CA 0.072 56.452 56.400 -0.033 0.000 1.338 1404 E CB 0.827 30.517 29.700 -0.017 0.000 1.242 1404 E HN 0.162 nan 8.360 nan 0.000 0.435 1405 T N -0.191 114.323 114.554 -0.067 0.000 2.520 1405 T HA -0.200 4.152 4.350 0.003 0.000 0.258 1405 T C 2.023 176.623 174.700 -0.166 0.000 1.125 1405 T CA 1.288 63.326 62.100 -0.103 0.000 1.206 1405 T CB -0.200 68.614 68.868 -0.091 0.000 0.864 1405 T HN 0.090 nan 8.240 nan 0.000 0.400 1406 V N 1.819 121.642 119.914 -0.152 0.000 2.238 1406 V HA -0.363 3.759 4.120 0.003 0.000 0.253 1406 V C 2.527 178.475 176.094 -0.245 0.000 1.050 1406 V CA 2.401 64.570 62.300 -0.218 0.000 1.045 1406 V CB -0.953 30.870 31.823 -0.001 0.000 0.670 1406 V HN 0.579 nan 8.190 nan 0.000 0.469 1407 E N -0.463 119.747 120.200 0.015 0.000 2.068 1407 E HA -0.291 4.061 4.350 0.003 0.000 0.207 1407 E C 2.082 178.647 176.600 -0.059 0.000 1.032 1407 E CA 2.168 58.617 56.400 0.081 0.000 0.839 1407 E CB -0.377 29.339 29.700 0.027 0.000 0.758 1407 E HN 0.604 nan 8.360 nan 0.000 0.457 1408 I N 0.893 121.394 120.570 -0.116 0.000 2.236 1408 I HA -0.310 3.862 4.170 0.003 0.000 0.249 1408 I C 2.392 178.355 176.117 -0.257 0.000 1.102 1408 I CA 1.060 62.265 61.300 -0.159 0.000 1.365 1408 I CB -0.181 37.733 38.000 -0.144 0.000 1.051 1408 I HN 0.176 nan 8.210 nan 0.000 0.420 1409 L N -0.877 120.131 121.223 -0.358 0.000 2.291 1409 L HA -0.140 4.202 4.340 0.003 0.000 0.214 1409 L C 2.222 178.839 176.870 -0.423 0.000 1.120 1409 L CA 1.020 55.560 54.840 -0.500 0.000 0.799 1409 L CB -0.246 41.496 42.059 -0.529 0.000 0.925 1409 L HN 0.175 nan 8.230 nan 0.000 0.446 1410 F N 0.419 120.232 119.950 -0.229 0.000 2.074 1410 F HA -0.142 4.387 4.527 0.003 0.000 0.290 1410 F C 2.413 178.076 175.800 -0.229 0.000 1.118 1410 F CA 0.738 58.574 58.000 -0.274 0.000 1.199 1410 F CB -0.214 38.459 39.000 -0.546 0.000 1.012 1410 F HN -0.007 nan 8.300 nan 0.000 0.472 1411 E N 0.513 120.684 120.200 -0.047 0.000 2.393 1411 E HA -0.207 4.145 4.350 0.003 0.000 0.201 1411 E C 1.903 178.436 176.600 -0.111 0.000 1.025 1411 E CA 0.748 57.095 56.400 -0.089 0.000 0.856 1411 E CB -0.310 29.334 29.700 -0.094 0.000 0.771 1411 E HN 0.444 nan 8.360 nan 0.000 0.526 1412 A N 0.924 123.655 122.820 -0.149 0.000 1.997 1412 A HA 0.156 4.478 4.320 0.003 0.000 0.212 1412 A C 2.328 179.840 177.584 -0.121 0.000 1.178 1412 A CA 0.845 52.751 52.037 -0.217 0.000 0.698 1412 A CB -0.326 18.409 19.000 -0.442 0.000 0.842 1412 A HN 0.312 nan 8.150 nan 0.000 0.458 1413 G N -0.200 108.587 108.800 -0.022 0.000 2.395 1413 G HA2 0.122 4.084 3.960 0.003 0.000 0.214 1413 G HA3 0.122 4.084 3.960 0.003 0.000 0.214 1413 G C 1.753 176.731 174.900 0.130 0.000 1.177 1413 G CA 1.220 46.410 45.100 0.149 0.000 0.794 1413 G HN 0.678 nan 8.290 nan 0.000 0.532 1414 A N 1.064 123.975 122.820 0.153 0.000 1.884 1414 A HA -0.035 4.287 4.320 0.003 0.000 0.219 1414 A C 2.051 179.435 177.584 -0.332 0.000 1.197 1414 A CA 2.175 54.209 52.037 -0.005 0.000 0.637 1414 A CB -0.791 18.257 19.000 0.079 0.000 0.827 1414 A HN 0.851 nan 8.150 nan 0.000 0.450 1415 S N -0.473 115.049 115.700 -0.298 0.000 3.334 1415 S HA 0.592 5.064 4.470 0.003 0.000 0.188 1415 S C 0.332 174.867 174.600 -0.109 0.000 1.404 1415 S CA -0.053 57.962 58.200 -0.309 0.000 1.040 1415 S CB -0.107 62.914 63.200 -0.298 0.000 1.352 1415 S HN 1.462 nan 8.310 nan 0.000 0.501 1416 A N 2.088 124.896 122.820 -0.021 0.000 1.974 1416 A HA -0.137 4.185 4.320 0.003 0.000 0.334 1416 A C 0.542 178.138 177.584 0.019 0.000 0.961 1416 A CA 0.702 52.770 52.037 0.051 0.000 1.475 1416 A CB -0.850 18.242 19.000 0.154 0.000 0.658 1416 A HN 0.792 nan 8.150 nan 0.000 0.271 1417 E N 0.043 120.264 120.200 0.034 0.000 2.266 1417 E HA 0.471 4.823 4.350 0.003 0.000 0.277 1417 E C -0.603 176.038 176.600 0.068 0.000 1.018 1417 E CA -0.802 55.614 56.400 0.026 0.000 0.840 1417 E CB 1.314 31.002 29.700 -0.019 0.000 1.082 1417 E HN 0.519 nan 8.360 nan 0.000 0.395 1418 L N 3.389 124.626 121.223 0.024 0.000 2.316 1418 L HA 0.257 4.599 4.340 0.003 0.000 0.280 1418 L C -0.936 175.949 176.870 0.024 0.000 1.006 1418 L CA -0.489 54.351 54.840 -0.001 0.000 0.836 1418 L CB 1.226 43.261 42.059 -0.041 0.000 1.221 1418 L HN 0.351 nan 8.230 nan 0.000 0.418 1419 D N 3.154 123.587 120.400 0.056 0.000 2.295 1419 D HA 0.078 4.720 4.640 0.003 0.000 0.248 1419 D C 0.537 176.844 176.300 0.011 0.000 1.154 1419 D CA 0.011 54.042 54.000 0.052 0.000 0.857 1419 D CB 1.159 42.030 40.800 0.118 0.000 1.117 1419 D HN 0.589 nan 8.370 nan 0.000 0.468 1420 D N 2.465 122.868 120.400 0.005 0.000 2.182 1420 D HA -0.151 4.491 4.640 0.003 0.000 0.201 1420 D C 0.829 177.125 176.300 -0.007 0.000 0.986 1420 D CA 0.661 54.658 54.000 -0.004 0.000 0.847 1420 D CB -0.067 40.732 40.800 -0.002 0.000 0.942 1420 D HN 0.523 nan 8.370 nan 0.000 0.467 1421 C N 0.088 119.388 119.300 -0.000 0.000 4.614 1421 C HA -0.144 4.318 4.460 0.003 0.000 0.300 1421 C C 1.185 176.172 174.990 -0.006 0.000 1.301 1421 C CA -0.205 58.810 59.018 -0.004 0.000 2.073 1421 C CB -2.461 25.270 27.740 -0.017 0.000 1.219 1421 C HN 0.396 nan 8.230 nan 0.000 0.772 1422 R N -0.203 120.297 120.500 0.000 0.000 2.508 1422 R HA 0.294 4.636 4.340 0.003 0.000 0.300 1422 R C 1.023 177.326 176.300 0.005 0.000 0.970 1422 R CA 0.563 56.666 56.100 0.005 0.000 1.102 1422 R CB 0.799 31.108 30.300 0.015 0.000 1.246 1422 R HN 0.569 nan 8.270 nan 0.000 0.539 1423 G N -0.264 108.536 108.800 -0.001 0.000 2.400 1423 G HA2 0.240 4.202 3.960 0.003 0.000 0.301 1423 G HA3 0.240 4.202 3.960 0.003 0.000 0.301 1423 G C 0.907 175.800 174.900 -0.013 0.000 1.154 1423 G CA -0.565 44.532 45.100 -0.005 0.000 0.852 1423 G HN -0.075 nan 8.290 nan 0.000 0.511 1424 V N 1.556 121.457 119.914 -0.021 0.000 2.427 1424 V HA -0.174 3.948 4.120 0.003 0.000 0.248 1424 V C 2.901 178.982 176.094 -0.021 0.000 1.051 1424 V CA 2.478 64.762 62.300 -0.028 0.000 1.048 1424 V CB -0.269 31.531 31.823 -0.039 0.000 0.666 1424 V HN 0.742 nan 8.190 nan 0.000 0.456 1425 S N -0.084 115.607 115.700 -0.015 0.000 2.419 1425 S HA -0.190 4.282 4.470 0.003 0.000 0.233 1425 S C 1.681 176.279 174.600 -0.003 0.000 1.016 1425 S CA 1.414 59.610 58.200 -0.007 0.000 0.974 1425 S CB -0.236 62.965 63.200 0.003 0.000 0.786 1425 S HN 0.775 nan 8.310 nan 0.000 0.492 1426 E N 1.455 121.653 120.200 -0.002 0.000 2.140 1426 E HA 0.091 4.443 4.350 0.003 0.000 0.191 1426 E C 1.521 178.117 176.600 -0.006 0.000 0.973 1426 E CA 0.184 56.585 56.400 0.002 0.000 0.829 1426 E CB -0.185 29.521 29.700 0.010 0.000 0.781 1426 E HN 0.364 nan 8.360 nan 0.000 0.466 1427 N N 1.022 119.714 118.700 -0.013 0.000 2.381 1427 N HA -0.085 4.657 4.740 0.003 0.000 0.182 1427 N C 1.810 177.308 175.510 -0.021 0.000 1.025 1427 N CA 0.591 53.629 53.050 -0.020 0.000 0.888 1427 N CB 0.288 38.760 38.487 -0.026 0.000 0.965 1427 N HN 0.011 nan 8.380 nan 0.000 0.438 1428 V N 1.311 121.214 119.914 -0.018 0.000 2.548 1428 V HA -0.075 4.047 4.120 0.003 0.000 0.249 1428 V C 2.117 178.202 176.094 -0.014 0.000 1.055 1428 V CA 0.899 63.188 62.300 -0.018 0.000 1.065 1428 V CB -0.100 31.713 31.823 -0.017 0.000 0.681 1428 V HN 0.219 nan 8.190 nan 0.000 0.462 1429 I N -0.545 120.019 120.570 -0.010 0.000 2.617 1429 I HA -0.118 4.054 4.170 0.003 0.000 0.256 1429 I C 1.647 177.757 176.117 -0.012 0.000 1.167 1429 I CA 1.300 62.596 61.300 -0.007 0.000 1.469 1429 I CB 0.004 38.004 38.000 0.001 0.000 1.098 1429 I HN 0.250 nan 8.210 nan 0.000 0.436 1430 L N 0.429 121.642 121.223 -0.016 0.000 2.667 1430 L HA 0.308 4.650 4.340 0.003 0.000 0.232 1430 L C 1.159 178.015 176.870 -0.023 0.000 1.138 1430 L CA -0.029 54.798 54.840 -0.022 0.000 0.921 1430 L CB -0.165 41.878 42.059 -0.026 0.000 1.180 1430 L HN 0.351 nan 8.230 nan 0.000 0.487 1431 G N 1.249 110.037 108.800 -0.021 0.000 2.366 1431 G HA2 -0.263 3.699 3.960 0.003 0.000 0.299 1431 G HA3 -0.263 3.699 3.960 0.003 0.000 0.299 1431 G C -0.044 174.841 174.900 -0.025 0.000 1.020 1431 G CA 0.272 45.359 45.100 -0.021 0.000 1.026 1431 G HN 0.526 nan 8.290 nan 0.000 0.512 1432 Q N -0.669 119.114 119.800 -0.028 0.000 2.458 1432 Q HA 0.670 5.012 4.340 0.003 0.000 0.282 1432 Q C 0.661 176.639 176.000 -0.038 0.000 1.106 1432 Q CA -1.258 54.525 55.803 -0.033 0.000 0.814 1432 Q CB 1.320 30.038 28.738 -0.034 0.000 1.425 1432 Q HN 0.319 nan 8.270 nan 0.000 0.437 1433 M N 0.719 120.292 119.600 -0.045 0.000 2.219 1433 M HA 0.340 4.822 4.480 0.003 0.000 0.307 1433 M C -0.199 176.068 176.300 -0.056 0.000 1.116 1433 M CA 0.443 55.709 55.300 -0.056 0.000 1.181 1433 M CB 0.484 33.039 32.600 -0.074 0.000 1.410 1433 M HN 0.867 nan 8.290 nan 0.000 0.454 1434 A N 2.179 124.962 122.820 -0.062 0.000 2.486 1434 A HA 0.691 5.013 4.320 0.003 0.000 0.289 1434 A C -2.548 174.995 177.584 -0.068 0.000 1.176 1434 A CA -1.287 50.717 52.037 -0.055 0.000 0.757 1434 A CB 0.844 19.817 19.000 -0.045 0.000 1.337 1434 A HN 0.502 nan 8.150 nan 0.000 0.423 1435 P HA 0.241 nan 4.420 nan 0.000 0.232 1435 P C -0.722 176.530 177.300 -0.079 0.000 1.738 1435 P CA 0.606 63.671 63.100 -0.058 0.000 0.948 1435 P CB -0.512 31.173 31.700 -0.025 0.000 1.943 1436 I N -1.165 119.358 120.570 -0.078 0.000 3.501 1436 I HA 0.278 4.450 4.170 0.003 0.000 0.297 1436 I C 2.139 178.229 176.117 -0.045 0.000 1.199 1436 I CA -0.707 60.551 61.300 -0.070 0.000 0.987 1436 I CB 0.536 38.500 38.000 -0.060 0.000 1.365 1436 I HN 0.070 nan 8.210 nan 0.000 0.574 1437 G N 0.338 109.128 108.800 -0.016 0.000 2.599 1437 G HA2 -0.264 3.698 3.960 0.003 0.000 0.219 1437 G HA3 -0.264 3.698 3.960 0.003 0.000 0.219 1437 G C 1.287 176.285 174.900 0.163 0.000 1.193 1437 G CA 1.809 46.950 45.100 0.068 0.000 0.778 1437 G HN 0.640 nan 8.290 nan 0.000 0.589 1438 T N 0.410 115.000 114.554 0.061 0.000 2.962 1438 T HA 0.159 4.511 4.350 0.003 0.000 0.270 1438 T C 1.607 176.086 174.700 -0.367 0.000 1.088 1438 T CA 1.145 63.233 62.100 -0.019 0.000 1.127 1438 T CB 0.016 68.880 68.868 -0.006 0.000 0.883 1438 T HN 0.419 nan 8.240 nan 0.000 0.493 1439 G N -0.301 108.340 108.800 -0.266 0.000 4.912 1439 G HA2 0.590 4.552 3.960 0.003 0.000 0.307 1439 G HA3 0.590 4.552 3.960 0.003 0.000 0.307 1439 G C 0.560 175.329 174.900 -0.219 0.000 1.381 1439 G CA 0.222 45.141 45.100 -0.303 0.000 1.057 1439 G HN 0.364 nan 8.290 nan 0.000 0.593 1440 A N 0.531 123.213 122.820 -0.231 0.000 1.997 1440 A HA 0.609 4.931 4.320 0.003 0.000 0.198 1440 A C 0.536 178.200 177.584 0.132 0.000 1.449 1440 A CA 0.140 52.208 52.037 0.052 0.000 0.908 1440 A CB 0.033 19.164 19.000 0.218 0.000 0.984 1440 A HN 0.598 nan 8.150 nan 0.000 0.487 1441 F N -0.236 119.810 119.950 0.160 0.000 2.425 1441 F HA 0.751 5.280 4.527 0.003 0.000 0.331 1441 F C -0.597 175.218 175.800 0.025 0.000 1.085 1441 F CA -1.589 56.450 58.000 0.065 0.000 1.028 1441 F CB 0.627 39.687 39.000 0.101 0.000 1.177 1441 F HN -0.130 nan 8.300 nan 0.000 0.487 1442 D N 1.471 121.901 120.400 0.049 0.000 2.217 1442 D HA 0.499 5.141 4.640 0.003 0.000 0.248 1442 D C -0.911 175.460 176.300 0.119 0.000 1.008 1442 D CA -0.218 53.776 54.000 -0.010 0.000 0.914 1442 D CB 2.570 43.361 40.800 -0.013 0.000 1.182 1442 D HN 0.430 nan 8.370 nan 0.000 0.451 1443 V N 3.199 123.162 119.914 0.083 0.000 2.459 1443 V HA 0.547 4.669 4.120 0.003 0.000 0.295 1443 V C 0.249 176.379 176.094 0.060 0.000 1.029 1443 V CA -0.439 61.931 62.300 0.118 0.000 0.874 1443 V CB 1.503 33.407 31.823 0.135 0.000 0.985 1443 V HN 0.493 nan 8.190 nan 0.000 0.438 1444 M N 3.884 123.516 119.600 0.053 0.000 2.569 1444 M HA 0.575 5.057 4.480 0.003 0.000 0.279 1444 M C -0.766 175.551 176.300 0.028 0.000 1.253 1444 M CA -0.542 54.778 55.300 0.032 0.000 0.867 1444 M CB 2.624 35.238 32.600 0.022 0.000 1.727 1444 M HN 0.393 nan 8.290 nan 0.000 0.467 1445 I N 0.000 120.583 120.570 0.022 0.000 2.984 1445 I HA 0.000 4.172 4.170 0.003 0.000 0.288 1445 I CA 0.000 61.311 61.300 0.019 0.000 1.566 1445 I CB 0.000 38.010 38.000 0.017 0.000 1.214 1445 I HN 0.000 nan 8.210 nan 0.000 0.494