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 1i6h_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 31.810 31.823 -0.021 0.000 1.184 3 G N 0.685 109.471 108.800 -0.022 0.000 4.379 3 G HA2 0.605 4.565 3.960 -0.001 0.000 0.290 3 G HA3 0.605 4.565 3.960 -0.001 0.000 0.290 3 G C -0.252 174.637 174.900 -0.018 0.000 1.065 3 G CA 0.131 45.217 45.100 -0.024 0.000 0.833 3 G HN 0.419 nan 8.290 nan 0.000 0.512 4 Q N -0.355 119.438 119.800 -0.012 0.000 2.873 4 Q HA 0.473 4.812 4.340 -0.001 0.000 0.297 4 Q C -0.185 175.823 176.000 0.013 0.000 1.064 4 Q CA -0.830 54.972 55.803 -0.002 0.000 0.816 4 Q CB 1.313 30.047 28.738 -0.006 0.000 1.481 4 Q HN 0.305 nan 8.270 nan 0.000 0.488 5 Q N -0.213 119.604 119.800 0.027 0.000 2.396 5 Q HA 0.146 4.486 4.340 -0.001 0.000 0.221 5 Q C -0.678 175.378 176.000 0.092 0.000 1.025 5 Q CA -0.332 55.510 55.803 0.064 0.000 0.946 5 Q CB 0.200 28.975 28.738 0.061 0.000 1.224 5 Q HN 0.470 nan 8.270 nan 0.000 0.539 6 Y N 0.940 121.238 120.300 -0.005 0.000 2.139 6 Y HA -0.051 4.499 4.550 -0.001 0.000 0.368 6 Y C 0.091 175.991 175.900 -0.000 0.000 1.260 6 Y CA 1.226 59.325 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 -0.142 0.000 2.550 7 S HA 0.181 4.651 4.470 -0.001 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 4.442 4.470 -0.001 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 0.106 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 4.238 127.053 122.820 -0.008 0.000 2.561 9 A HA 0.405 4.725 4.320 -0.001 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 0.368 nan 4.420 nan 0.000 0.277 10 P C -0.790 176.475 177.300 -0.057 0.000 1.240 10 P CA -0.481 62.590 63.100 -0.048 0.000 0.798 10 P CB 1.039 32.723 31.700 -0.026 0.000 0.979 11 L N 3.151 124.335 121.223 -0.066 0.000 2.334 11 L HA 0.499 4.839 4.340 -0.001 0.000 0.277 11 L C 0.106 176.949 176.870 -0.045 0.000 1.075 11 L CA 0.059 54.861 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 2.129 122.604 120.500 -0.042 0.000 2.781 12 R HA 0.551 4.890 4.340 -0.001 0.000 0.269 12 R C -1.220 175.058 176.300 -0.037 0.000 1.025 12 R CA -0.949 55.129 56.100 -0.036 0.000 0.914 12 R CB 2.120 32.401 30.300 -0.032 0.000 1.236 12 R HN 0.586 nan 8.270 nan 0.000 0.465 13 T N 1.187 115.720 114.554 -0.035 0.000 2.794 13 T HA 0.276 4.625 4.350 -0.001 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 1.643 70.490 68.868 -0.035 0.000 0.939 13 T HN 0.168 nan 8.240 nan 0.000 0.449 14 V N 4.056 123.944 119.914 -0.043 0.000 3.032 14 V HA 0.112 4.232 4.120 -0.001 0.000 0.307 14 V C 1.062 177.129 176.094 -0.044 0.000 1.097 14 V CA 0.339 62.609 62.300 -0.050 0.000 1.191 14 V CB 0.509 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 1.392 121.763 120.400 -0.048 0.000 2.567 15 K HA 0.374 4.694 4.320 -0.001 0.000 0.218 15 K C 0.086 176.660 176.600 -0.043 0.000 1.440 15 K CA 0.108 56.371 56.287 -0.039 0.000 0.995 15 K CB 1.260 33.741 32.500 -0.033 0.000 1.186 15 K HN 0.800 nan 8.250 nan 0.000 0.593 16 E N 0.366 120.528 120.200 -0.062 0.000 2.412 16 E HA 0.447 4.797 4.350 -0.001 0.000 0.279 16 E C -1.357 175.169 176.600 -0.123 0.000 0.984 16 E CA -0.874 55.481 56.400 -0.075 0.000 0.788 16 E CB 3.000 32.654 29.700 -0.076 0.000 1.277 16 E HN -0.281 nan 8.360 nan 0.000 0.455 17 V N 2.072 121.899 119.914 -0.145 0.000 2.524 17 V HA 0.201 4.321 4.120 -0.001 0.000 0.297 17 V C -0.824 175.067 176.094 -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 2.509 18 Q HA 0.460 4.800 4.340 -0.001 0.000 0.230 18 Q C -0.694 174.994 176.000 -0.520 0.000 1.089 18 Q CA -0.235 55.274 55.803 -0.490 0.000 0.901 18 Q CB 0.542 28.867 28.738 -0.689 0.000 1.208 18 Q HN 0.574 nan 8.270 nan 0.000 0.529 19 F N 0.164 119.967 119.950 -0.245 0.000 2.440 19 F HA 0.575 5.102 4.527 -0.001 0.000 0.323 19 F C 1.522 177.239 175.800 -0.137 0.000 1.192 19 F CA 0.991 58.886 58.000 -0.177 0.000 1.252 19 F CB 0.971 39.896 39.000 -0.125 0.000 1.214 19 F HN 0.524 nan 8.300 nan 0.000 0.578 20 G N 0.199 109.079 108.800 0.133 0.000 2.335 20 G HA2 0.444 4.404 3.960 -0.001 0.000 0.291 20 G HA3 0.444 4.404 3.960 -0.001 0.000 0.291 20 G C -2.031 172.925 174.900 0.094 0.000 1.261 20 G CA -1.034 44.152 45.100 0.144 0.000 0.871 20 G HN 0.535 nan 8.290 nan 0.000 0.491 21 L N -0.329 120.953 121.223 0.098 0.000 2.303 21 L HA 0.609 4.948 4.340 -0.001 0.000 0.266 21 L C -0.752 176.001 176.870 -0.196 0.000 1.011 21 L CA -0.879 53.972 54.840 0.018 0.000 0.818 21 L CB 2.449 44.597 42.059 0.148 0.000 1.326 21 L HN 0.476 nan 8.230 nan 0.000 0.435 22 F N 1.064 120.869 119.950 -0.242 0.000 2.375 22 F HA 0.157 4.684 4.527 -0.001 0.000 0.362 22 F C 0.709 176.084 175.800 -0.709 0.000 1.129 22 F CA -0.879 56.889 58.000 -0.386 0.000 1.154 22 F CB 1.390 40.287 39.000 -0.172 0.000 1.205 22 F HN 0.492 nan 8.300 nan 0.000 0.513 23 S N 5.292 120.435 115.700 -0.929 0.000 2.533 23 S HA 0.064 4.534 4.470 -0.001 0.000 0.282 23 S C -1.531 172.836 174.600 -0.388 0.000 1.304 23 S CA -1.250 56.208 58.200 -1.236 0.000 1.063 23 S CB 0.898 63.587 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 0.752 178.019 177.300 -0.056 0.000 1.142 24 P CA 1.164 64.240 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 0.414 120.589 120.200 -0.041 0.000 2.016 25 E HA -0.159 4.191 4.350 -0.001 0.000 0.190 25 E C 2.214 178.745 176.600 -0.115 0.000 0.985 25 E CA 1.108 57.483 56.400 -0.041 0.000 0.802 25 E CB -0.797 28.918 29.700 0.025 0.000 0.762 25 E HN 0.351 nan 8.360 nan 0.000 0.448 26 E N 0.235 120.345 120.200 -0.149 0.000 2.153 26 E HA -0.172 4.177 4.350 -0.001 0.000 0.194 26 E C 1.850 178.250 176.600 -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 1.046 120.701 119.914 -0.433 0.000 2.407 27 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 27 V C 2.345 178.252 176.094 -0.312 0.000 1.055 27 V CA 2.150 64.133 62.300 -0.529 0.000 1.049 27 V CB -0.509 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 0.114 120.448 120.500 -0.278 0.000 2.080 28 R HA 0.078 4.418 4.340 -0.001 0.000 0.222 28 R C 2.533 178.673 176.300 -0.268 0.000 1.107 28 R CA 1.155 57.021 56.100 -0.391 0.000 0.980 28 R CB -0.645 29.407 30.300 -0.413 0.000 0.879 28 R HN 0.479 nan 8.270 nan 0.000 0.439 29 A N 1.709 124.413 122.820 -0.194 0.000 1.903 29 A HA -0.207 4.113 4.320 -0.001 0.000 0.219 29 A C 2.155 179.668 177.584 -0.119 0.000 1.191 29 A CA 1.501 53.459 52.037 -0.132 0.000 0.638 29 A CB -0.581 18.360 19.000 -0.099 0.000 0.823 29 A HN 0.190 nan 8.150 nan 0.000 0.451 30 I N 0.003 120.485 120.570 -0.146 0.000 2.162 30 I HA -0.125 4.045 4.170 -0.001 0.000 0.238 30 I C 1.783 177.861 176.117 -0.066 0.000 1.076 30 I CA 0.779 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 0.847 116.502 115.700 -0.076 0.000 2.516 31 S HA -0.076 4.393 4.470 -0.001 0.000 0.285 31 S C 0.682 175.284 174.600 0.004 0.000 1.312 31 S CA 0.526 58.731 58.200 0.007 0.000 1.026 31 S CB 0.904 64.112 63.200 0.013 0.000 0.801 31 S HN 0.282 nan 8.310 nan 0.000 0.504 32 V N -1.000 118.944 119.914 0.050 0.000 3.380 32 V HA 0.658 4.778 4.120 -0.001 0.000 0.277 32 V C 0.725 176.848 176.094 0.049 0.000 1.590 32 V CA 0.173 62.488 62.300 0.026 0.000 1.019 32 V CB -0.979 30.849 31.823 0.007 0.000 0.828 32 V HN 1.124 nan 8.190 nan 0.000 0.427 33 A N 0.807 123.679 122.820 0.086 0.000 2.263 33 A HA 0.875 5.195 4.320 -0.001 0.000 0.318 33 A C 0.638 178.304 177.584 0.137 0.000 1.111 33 A CA -0.011 52.079 52.037 0.089 0.000 0.901 33 A CB 1.761 20.807 19.000 0.077 0.000 1.280 33 A HN 0.277 nan 8.150 nan 0.000 0.503 34 K N -0.969 119.493 120.400 0.102 0.000 2.631 34 K HA 0.397 4.716 4.320 -0.001 0.000 0.200 34 K C -0.778 175.828 176.600 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 32.825 32.500 0.106 0.000 1.502 34 K HN 0.571 nan 8.250 nan 0.000 0.560 35 I N 2.815 123.407 120.570 0.038 0.000 8.325 35 I HA -0.331 3.838 4.170 -0.001 0.000 0.126 35 I C 0.106 176.241 176.117 0.030 0.000 1.788 35 I CA 0.493 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 3.670 124.236 120.500 0.110 0.000 2.453 36 R HA 0.354 4.694 4.340 -0.001 0.000 0.233 36 R C -0.413 175.857 176.300 -0.050 0.000 0.895 36 R CA 0.221 56.348 56.100 0.046 0.000 1.028 36 R CB 0.455 30.823 30.300 0.113 0.000 1.255 36 R HN 0.325 nan 8.270 nan 0.000 0.571 37 F N 2.130 122.071 119.950 -0.016 0.000 2.458 37 F HA 0.355 4.882 4.527 -0.001 0.000 0.336 37 F C -1.475 174.319 175.800 -0.009 0.000 1.114 37 F CA -2.748 55.246 58.000 -0.011 0.000 0.987 37 F CB 1.906 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 -0.174 177.185 177.300 0.099 0.000 1.168 38 P CA 0.701 63.840 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 -0.281 120.011 120.200 0.153 0.000 2.428 39 E HA 0.062 4.412 4.350 -0.001 0.000 0.257 39 E C 0.808 177.466 176.600 0.097 0.000 1.197 39 E CA 0.389 56.864 56.400 0.125 0.000 0.974 39 E CB 0.381 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 0.338 114.934 114.554 0.070 0.000 3.480 40 T HA 0.079 4.428 4.350 -0.001 0.000 0.229 40 T C 1.575 176.290 174.700 0.025 0.000 0.944 40 T CA 0.424 62.556 62.100 0.052 0.000 1.388 40 T CB 0.081 68.985 68.868 0.060 0.000 1.180 40 T HN 0.360 nan 8.240 nan 0.000 0.414 41 M N 0.175 119.786 119.600 0.019 0.000 2.564 41 M HA 0.279 4.758 4.480 -0.001 0.000 0.254 41 M C -0.256 176.038 176.300 -0.009 0.000 1.299 41 M CA -0.033 55.269 55.300 0.002 0.000 1.143 41 M CB 0.518 33.122 32.600 0.006 0.000 1.427 41 M HN 0.030 nan 8.290 nan 0.000 0.538 42 D N 3.001 123.400 120.400 -0.003 0.000 2.423 42 D HA 0.104 4.744 4.640 -0.001 0.000 0.238 42 D C -0.375 175.908 176.300 -0.028 0.000 1.142 42 D CA 0.796 54.790 54.000 -0.010 0.000 0.884 42 D CB 0.693 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 0.317 120.499 120.200 -0.030 0.000 2.642 43 E HA 0.150 4.500 4.350 -0.001 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 0.989 30.655 29.700 -0.055 0.000 1.473 43 E HN 0.252 nan 8.360 nan 0.000 0.388 44 T N 2.014 116.555 114.554 -0.022 0.000 4.146 44 T HA -0.302 4.048 4.350 -0.001 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 4.166 4.340 -0.001 0.000 0.279 45 Q C 0.361 176.356 176.000 -0.007 0.000 2.184 45 Q CA 1.610 57.411 55.803 -0.005 0.000 0.437 45 Q CB -1.867 26.869 28.738 -0.003 0.000 0.260 45 Q HN 0.651 nan 8.270 nan 0.000 0.712 46 T N 3.506 118.053 114.554 -0.011 0.000 2.596 46 T HA -0.063 4.287 4.350 -0.001 0.000 0.252 46 T C 0.241 174.933 174.700 -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 2.070 122.564 120.500 -0.009 0.000 2.643 47 R HA 0.468 4.808 4.340 -0.001 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 0.483 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 2.005 124.818 122.820 -0.012 0.000 3.528 48 A HA 0.271 4.591 4.320 -0.001 0.000 0.068 48 A C -1.393 176.183 177.584 -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 19.589 19.000 -0.020 0.000 1.615 48 A HN 0.525 nan 8.150 nan 0.000 0.716 49 K N -0.471 119.916 120.400 -0.021 0.000 2.622 49 K HA 0.603 4.922 4.320 -0.001 0.000 0.273 49 K C -1.573 175.003 176.600 -0.042 0.000 0.957 49 K CA -0.399 55.875 56.287 -0.020 0.000 0.861 49 K CB 1.865 34.360 32.500 -0.009 0.000 1.405 49 K HN 0.584 nan 8.250 nan 0.000 0.406 50 I N 0.067 120.604 120.570 -0.054 0.000 2.924 50 I HA 0.245 4.414 4.170 -0.001 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 1.309 39.184 38.000 -0.208 0.000 1.311 50 I HN 0.911 nan 8.210 nan 0.000 0.502 51 G N 1.849 110.597 108.800 -0.085 0.000 2.740 51 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.208 51 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.208 51 G C 0.872 175.806 174.900 0.055 0.000 1.148 51 G CA 0.559 45.652 45.100 -0.012 0.000 0.795 51 G HN 0.865 nan 8.290 nan 0.000 0.526 52 G N 0.220 109.062 108.800 0.070 0.000 3.107 52 G HA2 0.318 4.278 3.960 -0.001 0.000 0.155 52 G HA3 0.318 4.278 3.960 -0.001 0.000 0.155 52 G C 0.686 175.636 174.900 0.083 0.000 1.875 52 G CA -0.486 44.707 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 4.408 4.340 -0.001 0.000 0.212 53 L C 0.417 177.304 176.870 0.028 0.000 1.200 53 L CA -0.207 54.658 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 0.836 119.546 118.700 0.015 0.000 2.391 54 N HA -0.238 4.502 4.740 -0.001 0.000 0.316 54 N C -0.607 174.912 175.510 0.014 0.000 1.189 54 N CA 1.277 54.332 53.050 0.009 0.000 0.861 54 N CB -0.365 38.121 38.487 -0.001 0.000 1.098 54 N HN 0.822 nan 8.380 nan 0.000 0.558 55 D N 0.928 121.340 120.400 0.019 0.000 1.818 55 D HA 0.009 4.649 4.640 -0.001 0.000 0.138 55 D C -1.858 174.454 176.300 0.020 0.000 1.475 55 D CA 0.497 54.507 54.000 0.017 0.000 0.708 55 D CB -0.870 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 0.506 177.814 177.300 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 31.660 31.700 0.030 0.000 0.699 57 R N -3.862 116.651 120.500 0.022 0.000 2.591 57 R HA 0.255 4.595 4.340 -0.001 0.000 0.288 57 R C 0.768 177.092 176.300 0.039 0.000 0.947 57 R CA -0.314 55.792 56.100 0.009 0.000 1.085 57 R CB -0.083 30.207 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 0.086 4.426 4.340 -0.001 0.000 0.258 58 L C 1.626 178.582 176.870 0.143 0.000 1.257 58 L CA 0.363 55.290 54.840 0.146 0.000 0.823 58 L CB -0.223 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 -0.417 108.467 108.800 0.140 0.000 2.443 59 G HA2 0.299 4.259 3.960 -0.001 0.000 0.286 59 G HA3 0.299 4.259 3.960 -0.001 0.000 0.286 59 G C 0.048 174.974 174.900 0.042 0.000 1.393 59 G CA 0.383 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 -2.393 113.320 115.700 0.022 0.000 2.843 60 S HA 0.736 5.206 4.470 -0.001 0.000 0.301 60 S C -0.354 174.247 174.600 0.002 0.000 1.206 60 S CA -0.754 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 4.614 4.170 -0.001 0.000 0.262 61 I C -0.525 175.591 176.117 -0.002 0.000 1.097 61 I CA -0.970 60.327 61.300 -0.004 0.000 1.318 61 I CB 0.587 38.583 38.000 -0.006 0.000 1.350 61 I HN 0.702 nan 8.210 nan 0.000 0.439 62 D N 1.768 122.166 120.400 -0.004 0.000 2.903 62 D HA -0.215 4.425 4.640 -0.001 0.000 0.228 62 D C -0.218 176.081 176.300 -0.002 0.000 1.178 62 D CA 1.089 55.087 54.000 -0.003 0.000 0.740 62 D CB -0.636 40.163 40.800 -0.002 0.000 1.077 62 D HN 0.523 nan 8.370 nan 0.000 0.419 63 R N -1.105 119.394 120.500 -0.002 0.000 3.205 63 R HA -0.183 4.157 4.340 -0.001 0.000 0.249 63 R C -0.738 175.563 176.300 0.001 0.000 0.937 63 R CA 0.483 56.583 56.100 -0.001 0.000 0.641 63 R CB -1.614 28.685 30.300 -0.001 0.000 1.114 63 R HN 0.226 nan 8.270 nan 0.000 0.451 64 N N 1.366 120.068 118.700 0.003 0.000 2.443 64 N HA 0.174 4.913 4.740 -0.001 0.000 0.269 64 N C 1.336 176.852 175.510 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 0.800 122.029 121.223 0.010 0.000 2.197 65 L HA -0.186 4.154 4.340 -0.001 0.000 0.215 65 L C 0.863 177.745 176.870 0.020 0.000 1.095 65 L CA 1.342 56.190 54.840 0.014 0.000 0.764 65 L CB -0.312 41.754 42.059 0.012 0.000 0.897 65 L HN 0.322 nan 8.230 nan 0.000 0.436 66 K N 0.011 120.422 120.400 0.017 0.000 2.524 66 K HA 0.029 4.348 4.320 -0.001 0.000 0.279 66 K C -0.342 176.279 176.600 0.035 0.000 0.993 66 K CA 0.222 56.521 56.287 0.020 0.000 1.030 66 K CB 0.614 33.121 32.500 0.013 0.000 0.891 66 K HN 0.184 nan 8.250 nan 0.000 0.488 67 C N 3.769 123.093 119.300 0.040 0.000 3.038 67 C HA 0.032 4.492 4.460 -0.001 0.000 0.379 67 C C -0.711 174.297 174.990 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 27.226 27.740 0.130 0.000 1.655 67 C HN 1.061 nan 8.230 nan 0.000 0.489 68 Q N 3.762 123.543 119.800 -0.032 0.000 2.426 68 Q HA -0.190 4.149 4.340 -0.001 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 4.032 4.350 -0.001 0.000 0.344 69 T C 0.912 175.608 174.700 -0.006 0.000 0.760 69 T CA 1.201 63.290 62.100 -0.017 0.000 1.852 69 T CB -1.873 66.982 68.868 -0.022 0.000 1.891 69 T HN 0.868 nan 8.240 nan 0.000 0.783 70 C N -0.598 118.706 119.300 0.007 0.000 3.183 70 C HA 0.382 4.842 4.460 -0.001 0.000 0.285 70 C C 1.626 176.646 174.990 0.050 0.000 1.313 70 C CA 0.361 59.401 59.018 0.037 0.000 1.711 70 C CB -0.393 27.392 27.740 0.076 0.000 2.135 70 C HN 0.778 nan 8.230 nan 0.000 0.651 71 Q N 0.771 120.595 119.800 0.040 0.000 1.932 71 Q HA -0.373 3.966 4.340 -0.001 0.000 0.407 71 Q C 0.846 176.871 176.000 0.042 0.000 0.787 71 Q CA 1.865 57.689 55.803 0.035 0.000 0.852 71 Q CB -1.229 27.524 28.738 0.025 0.000 3.472 71 Q HN 0.563 nan 8.270 nan 0.000 0.793 72 E N -1.146 119.074 120.200 0.032 0.000 4.540 72 E HA -0.302 4.047 4.350 -0.001 0.000 0.175 72 E C 0.687 177.299 176.600 0.020 0.000 1.236 72 E CA 2.555 58.972 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 1.539 nan 8.360 nan 0.000 0.437 73 G N 0.505 109.319 108.800 0.023 0.000 2.612 73 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.686 73 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.686 73 G C 0.014 174.918 174.900 0.007 0.000 1.274 73 G CA -0.057 45.051 45.100 0.014 0.000 0.849 73 G HN 0.150 nan 8.290 nan 0.000 0.595 74 M N 2.084 121.684 119.600 0.001 0.000 3.583 74 M HA 0.132 4.611 4.480 -0.001 0.000 0.177 74 M C 0.612 176.905 176.300 -0.012 0.000 1.792 74 M CA 0.800 56.096 55.300 -0.008 0.000 1.798 74 M CB -1.026 31.568 32.600 -0.010 0.000 1.315 74 M HN 0.627 nan 8.290 nan 0.000 0.518 75 N N 1.670 120.362 118.700 -0.013 0.000 7.111 75 N HA -0.063 4.677 4.740 -0.001 0.000 0.096 75 N C -0.303 175.200 175.510 -0.011 0.000 0.911 75 N CA 0.458 53.499 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 1.418 121.609 120.200 -0.015 0.000 4.129 76 E HA -0.207 4.143 4.350 -0.001 0.000 0.354 76 E C -1.028 175.567 176.600 -0.008 0.000 0.673 76 E CA 1.202 57.596 56.400 -0.009 0.000 1.347 76 E CB -1.679 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 3.014 122.300 119.300 -0.023 0.000 2.138 77 C HA 0.447 4.907 4.460 -0.001 0.000 0.398 77 C C -1.924 172.985 174.990 -0.135 0.000 1.029 77 C CA -1.605 57.388 59.018 -0.043 0.000 1.426 77 C CB -0.560 27.165 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 0.903 63.904 63.100 -0.166 0.000 0.868 78 P CB 0.020 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 3.857 3.960 -0.001 0.000 0.240 79 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.240 79 G C -0.113 174.620 174.900 -0.278 0.000 1.080 79 G CA -0.223 44.712 45.100 -0.276 0.000 0.877 79 G HN 0.587 nan 8.290 nan 0.000 0.446 80 H N 1.704 120.812 119.070 0.064 0.000 2.467 80 H HA 0.292 4.848 4.556 -0.001 0.000 0.326 80 H C -0.068 175.337 175.328 0.128 0.000 1.094 80 H CA -0.692 55.439 56.048 0.138 0.000 1.253 80 H CB 1.037 30.853 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 4.797 4.527 -0.000 0.000 0.346 81 F C 1.467 177.309 175.800 0.070 0.000 1.128 81 F CA 0.450 58.502 58.000 0.086 0.000 1.268 81 F CB 0.720 39.756 39.000 0.061 0.000 1.161 81 F HN 0.566 nan 8.300 nan 0.000 0.583 82 G N 0.224 109.127 108.800 0.172 0.000 2.702 82 G HA2 0.450 4.409 3.960 -0.001 0.000 0.254 82 G HA3 0.450 4.409 3.960 -0.001 0.000 0.254 82 G C -1.858 173.152 174.900 0.182 0.000 1.380 82 G CA -0.292 44.890 45.100 0.136 0.000 1.042 82 G HN 0.684 nan 8.290 nan 0.000 0.557 83 H N -1.655 117.429 119.070 0.023 0.000 2.930 83 H HA 0.710 5.265 4.556 -0.001 0.000 0.371 83 H C -1.544 173.783 175.328 -0.002 0.000 1.169 83 H CA -0.934 55.115 56.048 0.003 0.000 1.157 83 H CB 1.768 31.526 29.762 -0.007 0.000 1.789 83 H HN 0.524 nan 8.280 nan 0.000 0.547 84 I N 4.013 124.261 120.570 -0.536 0.000 2.667 84 I HA 0.223 4.393 4.170 -0.001 0.000 0.288 84 I C -1.693 174.173 176.117 -0.419 0.000 1.267 84 I CA -0.541 60.485 61.300 -0.456 0.000 1.055 84 I CB 1.532 39.413 38.000 -0.199 0.000 1.294 84 I HN 0.610 nan 8.210 nan 0.000 0.429 85 D N 8.497 128.666 120.400 -0.386 0.000 2.198 85 D HA 0.465 5.105 4.640 -0.001 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 2.270 43.023 40.800 -0.078 0.000 1.148 85 D HN 0.394 nan 8.370 nan 0.000 0.456 86 L N 1.247 122.448 121.223 -0.037 0.000 2.399 86 L HA 0.488 4.827 4.340 -0.001 0.000 0.265 86 L C 1.439 178.309 176.870 -0.000 0.000 1.089 86 L CA -0.747 54.082 54.840 -0.018 0.000 0.802 86 L CB 0.913 42.972 42.059 -0.000 0.000 1.180 86 L HN 0.371 nan 8.230 nan 0.000 0.454 87 A N 1.882 124.701 122.820 -0.001 0.000 2.385 87 A HA 0.087 4.407 4.320 -0.001 0.000 0.197 87 A C 0.634 178.223 177.584 0.009 0.000 1.531 87 A CA 0.527 52.564 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 1.691 122.095 120.400 0.007 0.000 2.379 88 K HA 0.229 4.549 4.320 -0.001 0.000 0.284 88 K C -2.418 174.205 176.600 0.039 0.000 1.044 88 K CA -1.622 54.676 56.287 0.019 0.000 0.974 88 K CB 0.257 32.765 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 0.141 63.287 63.100 0.076 0.000 0.761 89 P CB 0.528 32.271 31.700 0.071 0.000 0.794 90 V N 3.646 123.644 119.914 0.140 0.000 2.715 90 V HA 0.320 4.440 4.120 -0.001 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 1.759 121.752 119.950 0.072 0.000 2.444 91 F HA 0.291 4.818 4.527 -0.001 0.000 0.331 91 F C 0.596 176.505 175.800 0.182 0.000 1.167 91 F CA -0.282 57.783 58.000 0.109 0.000 1.262 91 F CB 0.205 39.263 39.000 0.097 0.000 1.196 91 F HN 0.541 nan 8.300 nan 0.000 0.583 92 H N 1.847 121.023 119.070 0.175 0.000 2.581 92 H HA 0.366 4.921 4.556 -0.001 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 1.000 30.899 29.762 0.229 0.000 1.396 92 H HN 0.463 nan 8.280 nan 0.000 0.467 93 V N 3.047 123.210 119.914 0.415 0.000 2.277 93 V HA -0.322 3.798 4.120 -0.001 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 0.231 0.000 1.058 93 V CB -1.254 30.664 31.823 0.158 0.000 0.656 93 V HN 0.897 nan 8.190 nan 0.000 0.449 94 G N -1.065 107.652 108.800 -0.139 0.000 2.470 94 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.220 94 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.220 94 G C 1.153 175.480 174.900 -0.954 0.000 1.121 94 G CA 0.820 45.375 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 -0.484 0.000 2.678 95 F HA 0.411 4.938 4.527 -0.001 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 0.452 121.103 120.570 0.136 0.000 2.127 96 I HA -0.354 3.815 4.170 -0.001 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 37.463 38.000 0.266 0.000 1.040 96 I HN 0.169 nan 8.210 nan 0.000 0.405 97 A N 0.587 123.460 122.820 0.088 0.000 1.948 97 A HA -0.222 4.098 4.320 -0.001 0.000 0.220 97 A C 2.329 179.956 177.584 0.070 0.000 1.177 97 A CA 1.639 53.713 52.037 0.061 0.000 0.636 97 A CB -0.367 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 -0.229 120.221 120.400 0.083 0.000 1.991 98 K HA -0.001 4.319 4.320 -0.001 0.000 0.207 98 K C 1.924 178.653 176.600 0.216 0.000 1.045 98 K CA 1.299 57.669 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 -0.415 3.755 4.170 -0.001 0.000 0.242 99 I C 2.283 178.599 176.117 0.331 0.000 1.057 99 I CA 1.728 63.203 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 1.341 121.911 120.400 0.283 0.000 1.980 100 K HA -0.256 4.064 4.320 -0.001 0.000 0.223 100 K C 1.962 178.750 176.600 0.312 0.000 1.052 100 K CA 1.946 58.399 56.287 0.276 0.000 0.974 100 K CB -0.475 32.162 32.500 0.229 0.000 0.734 100 K HN 0.261 nan 8.250 nan 0.000 0.447 101 K N 0.794 121.346 120.400 0.253 0.000 2.304 101 K HA -0.173 4.147 4.320 -0.001 0.000 0.204 101 K C 2.011 178.826 176.600 0.360 0.000 1.044 101 K CA 1.305 57.693 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 0.164 120.312 119.914 0.390 0.000 2.379 102 V HA -0.222 3.898 4.120 -0.001 0.000 0.243 102 V C 2.368 178.612 176.094 0.251 0.000 1.035 102 V CA 1.330 63.826 62.300 0.328 0.000 1.035 102 V CB -0.262 31.631 31.823 0.115 0.000 0.673 102 V HN 0.410 nan 8.190 nan 0.000 0.457 103 C N 0.395 119.880 119.300 0.309 0.000 2.453 103 C HA -0.129 4.330 4.460 -0.001 0.000 0.277 103 C C 2.603 177.727 174.990 0.224 0.000 1.262 103 C CA 0.880 60.068 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 -0.888 119.468 120.200 0.259 0.000 2.401 104 E HA -0.205 4.145 4.350 -0.001 0.000 0.199 104 E C 1.914 178.630 176.600 0.195 0.000 1.023 104 E CA 0.890 57.411 56.400 0.203 0.000 0.859 104 E CB -0.167 29.693 29.700 0.267 0.000 0.780 104 E HN 0.696 nan 8.360 nan 0.000 0.523 105 C N 0.357 119.824 119.300 0.278 0.000 2.611 105 C HA 0.154 4.613 4.460 -0.001 0.000 0.282 105 C C 0.755 175.839 174.990 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 0.369 0.000 2.124 105 C HN -0.017 nan 8.230 nan 0.000 0.531 106 V N 0.346 120.341 119.914 0.136 0.000 2.680 106 V HA 0.340 4.459 4.120 -0.001 0.000 0.309 106 V C -0.117 176.040 176.094 0.105 0.000 1.052 106 V CA -0.827 61.529 62.300 0.093 0.000 0.908 106 V CB 1.164 33.012 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 0.443 4.903 4.460 -0.001 0.000 0.409 107 C C 0.631 175.698 174.990 0.129 0.000 1.304 107 C CA -0.702 58.386 59.018 0.116 0.000 2.007 107 C CB -0.279 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 6.015 125.689 119.600 0.124 0.000 2.232 108 M HA 0.250 4.730 4.480 -0.001 0.000 0.321 108 M C 1.110 177.453 176.300 0.071 0.000 1.101 108 M CA 0.851 56.177 55.300 0.044 0.000 1.181 108 M CB -0.179 32.384 32.600 -0.062 0.000 1.432 108 M HN 0.941 nan 8.290 nan 0.000 0.457 109 H N -0.084 119.077 119.070 0.152 0.000 4.692 109 H HA -0.187 4.369 4.556 -0.001 0.000 0.063 109 H C 1.281 176.665 175.328 0.093 0.000 0.623 109 H CA 1.919 58.035 56.048 0.113 0.000 0.906 109 H CB -1.427 28.385 29.762 0.084 0.000 0.412 109 H HN 0.902 nan 8.280 nan 0.000 0.813 110 C N 3.227 122.655 119.300 0.212 0.000 2.754 110 C HA 0.670 5.130 4.460 -0.001 0.000 0.276 110 C C 1.547 176.593 174.990 0.093 0.000 1.264 110 C CA 0.916 59.998 59.018 0.108 0.000 1.700 110 C CB -0.838 26.942 27.740 0.068 0.000 1.885 110 C HN 1.214 nan 8.230 nan 0.000 0.607 111 G N 2.020 110.896 108.800 0.125 0.000 2.306 111 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.274 111 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.274 111 G C -0.263 174.663 174.900 0.043 0.000 0.890 111 G CA 1.068 46.226 45.100 0.097 0.000 1.298 111 G HN 0.976 nan 8.290 nan 0.000 0.445 112 K N -0.141 120.286 120.400 0.046 0.000 2.409 112 K HA 0.689 5.008 4.320 -0.001 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 1.140 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 3.960 125.202 121.223 0.031 0.000 2.360 113 L HA 0.156 4.496 4.340 -0.001 0.000 0.276 113 L C 1.253 178.156 176.870 0.054 0.000 1.121 113 L CA -0.234 54.634 54.840 0.046 0.000 0.845 113 L CB 0.605 42.688 42.059 0.041 0.000 1.143 113 L HN 0.686 nan 8.230 nan 0.000 0.452 114 L N 4.484 125.742 121.223 0.059 0.000 2.556 114 L HA -0.081 4.259 4.340 -0.001 0.000 0.230 114 L C 0.255 177.156 176.870 0.052 0.000 1.163 114 L CA 0.982 55.855 54.840 0.054 0.000 0.819 114 L CB -0.599 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 -1.784 119.472 121.223 0.055 0.000 2.469 115 L HA 0.530 4.870 4.340 -0.001 0.000 0.256 115 L C -1.287 175.614 176.870 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 44.558 42.059 0.044 0.000 1.421 115 L HN -0.202 nan 8.230 nan 0.000 0.410 116 D N -0.549 119.883 120.400 0.052 0.000 2.610 116 D HA 0.202 4.841 4.640 -0.001 0.000 0.271 116 D C 0.091 176.307 176.300 -0.140 0.000 1.174 116 D CA -0.503 53.467 54.000 -0.049 0.000 0.949 116 D CB 1.821 42.584 40.800 -0.062 0.000 1.430 116 D HN 0.494 nan 8.370 nan 0.000 0.467 117 E N -0.349 119.698 120.200 -0.255 0.000 2.253 117 E HA -0.254 4.095 4.350 -0.001 0.000 0.202 117 E C 1.517 178.021 176.600 -0.160 0.000 1.014 117 E CA 1.399 57.678 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 0.394 nan 8.360 nan 0.000 0.478 118 H N 0.397 119.473 119.070 0.009 0.000 2.289 118 H HA -0.115 4.441 4.556 -0.001 0.000 0.294 118 H C 1.084 176.416 175.328 0.007 0.000 1.095 118 H CA 1.170 57.223 56.048 0.007 0.000 1.256 118 H CB -0.672 29.094 29.762 0.006 0.000 1.359 118 H HN 0.145 nan 8.280 nan 0.000 0.487 119 N N 1.619 120.390 118.700 0.118 0.000 2.497 119 N HA -0.088 4.652 4.740 -0.001 0.000 0.268 119 N C 1.060 176.591 175.510 0.036 0.000 1.171 119 N CA 0.239 53.328 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 3.269 123.486 120.200 0.030 0.000 2.358 120 E HA -0.022 4.328 4.350 -0.001 0.000 0.195 120 E C 1.232 177.841 176.600 0.014 0.000 1.010 120 E CA 0.424 56.835 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 0.124 121.356 121.223 0.014 0.000 2.418 121 L HA 0.006 4.346 4.340 -0.001 0.000 0.218 121 L C 2.206 179.084 176.870 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 -0.585 119.024 119.600 0.015 0.000 2.435 122 M HA 0.006 4.485 4.480 -0.001 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 -0.121 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 -0.214 120.289 120.500 0.006 0.000 2.070 123 R HA -0.114 4.225 4.340 -0.001 0.000 0.232 123 R C 2.136 178.441 176.300 0.009 0.000 1.138 123 R CA 2.076 58.177 56.100 0.001 0.000 0.936 123 R CB -0.704 29.595 30.300 -0.001 0.000 0.839 123 R HN 0.515 nan 8.270 nan 0.000 0.429 124 Q N 0.040 119.848 119.800 0.012 0.000 2.248 124 Q HA -0.138 4.202 4.340 -0.001 0.000 0.208 124 Q C 1.814 177.826 176.000 0.021 0.000 0.984 124 Q CA 1.488 57.300 55.803 0.015 0.000 0.875 124 Q CB -0.083 28.663 28.738 0.014 0.000 0.910 124 Q HN 0.377 nan 8.270 nan 0.000 0.433 125 A N -0.051 122.783 122.820 0.023 0.000 2.218 125 A HA 0.081 4.401 4.320 -0.001 0.000 0.209 125 A C 1.720 179.328 177.584 0.040 0.000 1.168 125 A CA 0.246 52.303 52.037 0.033 0.000 0.804 125 A CB 0.073 19.094 19.000 0.035 0.000 0.834 125 A HN 0.244 nan 8.150 nan 0.000 0.482 126 L N -1.645 119.596 121.223 0.031 0.000 2.463 126 L HA 0.107 4.447 4.340 -0.001 0.000 0.219 126 L C 2.620 179.509 176.870 0.031 0.000 1.088 126 L CA 0.799 55.658 54.840 0.032 0.000 0.849 126 L CB -0.131 41.938 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 0.112 4.431 4.320 -0.001 0.000 0.214 127 A C 1.179 178.780 177.584 0.029 0.000 1.152 127 A CA -0.050 52.002 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 0.740 121.330 120.570 0.034 0.000 2.752 128 I HA -0.066 4.104 4.170 -0.001 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 0.585 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 0.293 4.613 4.320 -0.001 0.000 0.226 129 K C -1.188 175.432 176.600 0.034 0.000 1.245 129 K CA -0.209 56.099 56.287 0.035 0.000 1.174 129 K CB 0.111 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 0.250 120.674 120.400 0.040 0.000 2.738 130 D HA -0.036 4.604 4.640 -0.001 0.000 0.218 130 D C 0.864 177.192 176.300 0.047 0.000 1.345 130 D CA -0.059 53.961 54.000 0.034 0.000 0.943 130 D CB 1.972 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 3.069 118.788 115.700 0.032 0.000 2.404 131 S HA -0.321 4.148 4.470 -0.001 0.000 0.230 131 S C 1.577 176.228 174.600 0.084 0.000 1.046 131 S CA 1.098 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 -0.144 4.176 4.320 -0.001 0.000 0.210 132 K C 2.499 179.150 176.600 0.085 0.000 1.048 132 K CA 1.919 58.252 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 0.233 120.673 120.400 0.067 0.000 2.076 133 K HA -0.037 4.283 4.320 -0.001 0.000 0.204 133 K C 2.246 178.892 176.600 0.078 0.000 1.051 133 K CA 0.727 57.050 56.287 0.060 0.000 0.949 133 K CB 0.005 32.532 32.500 0.045 0.000 0.726 133 K HN 0.091 nan 8.250 nan 0.000 0.443 134 R N 0.566 121.127 120.500 0.102 0.000 2.107 134 R HA -0.129 4.210 4.340 -0.001 0.000 0.223 134 R C 2.184 178.582 176.300 0.163 0.000 1.138 134 R CA 1.741 57.915 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 1.516 121.502 119.950 0.060 0.000 2.204 135 F HA -0.324 4.202 4.527 -0.001 0.000 0.301 135 F C 1.963 177.813 175.800 0.084 0.000 1.058 135 F CA 1.527 59.569 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 0.142 nan 8.300 nan 0.000 0.505 136 A N -0.286 122.496 122.820 -0.064 0.000 1.911 136 A HA 0.260 4.580 4.320 -0.001 0.000 0.212 136 A C 2.399 180.001 177.584 0.029 0.000 1.189 136 A CA 1.022 52.997 52.037 -0.104 0.000 0.639 136 A CB -1.368 17.620 19.000 -0.020 0.000 0.839 136 A HN 0.438 nan 8.150 nan 0.000 0.449 137 A N 0.260 123.107 122.820 0.045 0.000 1.873 137 A HA -0.042 4.277 4.320 -0.001 0.000 0.215 137 A C 2.099 179.717 177.584 0.056 0.000 1.186 137 A CA 1.421 53.489 52.037 0.051 0.000 0.616 137 A CB -0.641 18.387 19.000 0.047 0.000 0.823 137 A HN 0.462 nan 8.150 nan 0.000 0.442 138 I N -2.400 118.210 120.570 0.068 0.000 2.091 138 I HA -0.315 3.854 4.170 -0.001 0.000 0.239 138 I C 2.398 178.568 176.117 0.088 0.000 1.061 138 I CA 1.911 63.259 61.300 0.080 0.000 1.317 138 I CB -0.470 37.603 38.000 0.122 0.000 1.031 138 I HN 0.675 nan 8.210 nan 0.000 0.401 139 W N 1.924 123.118 121.300 -0.176 0.000 2.247 139 W HA -0.338 4.322 4.660 -0.001 0.000 0.330 139 W C 2.804 179.251 176.519 -0.121 0.000 1.278 139 W CA 2.755 59.977 57.345 -0.206 0.000 1.174 139 W CB -1.131 28.092 29.460 -0.395 0.000 1.153 139 W HN 0.032 nan 8.180 nan 0.000 0.464 140 T N 1.385 115.949 114.554 0.015 0.000 2.755 140 T HA -0.277 4.073 4.350 -0.001 0.000 0.266 140 T C 1.804 176.418 174.700 -0.142 0.000 1.041 140 T CA 2.005 64.018 62.100 -0.145 0.000 1.147 140 T CB -0.553 68.310 68.868 -0.009 0.000 0.847 140 T HN 0.197 nan 8.240 nan 0.000 0.478 141 L N 0.291 121.472 121.223 -0.069 0.000 2.446 141 L HA 0.101 4.441 4.340 -0.001 0.000 0.219 141 L C 1.283 178.115 176.870 -0.064 0.000 1.116 141 L CA 0.451 55.260 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 -2.651 116.599 119.300 -0.083 0.000 2.887 142 C HA 0.273 4.733 4.460 -0.001 0.000 0.240 142 C C 1.446 176.358 174.990 -0.131 0.000 1.872 142 C CA -0.861 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 0.133 4.452 4.320 -0.001 0.000 0.194 143 K C 1.229 177.676 176.600 -0.255 0.000 1.070 143 K CA 0.710 56.772 56.287 -0.374 0.000 0.998 143 K CB -0.261 31.758 32.500 -0.802 0.000 0.911 143 K HN 0.202 nan 8.250 nan 0.000 0.533 144 T N 1.298 115.733 114.554 -0.199 0.000 2.894 144 T HA 0.039 4.389 4.350 -0.001 0.000 0.258 144 T C 0.336 174.981 174.700 -0.092 0.000 1.043 144 T CA 0.580 62.596 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 1.592 121.947 120.400 -0.074 0.000 2.412 145 K HA 0.243 4.563 4.320 -0.001 0.000 0.281 145 K C -0.085 176.496 176.600 -0.031 0.000 1.027 145 K CA 0.466 56.729 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 2.858 122.450 119.600 -0.014 0.000 3.002 146 M HA 0.174 4.654 4.480 -0.001 0.000 0.398 146 M C -1.264 175.057 176.300 0.034 0.000 1.366 146 M CA -0.305 54.994 55.300 -0.001 0.000 0.824 146 M CB 1.031 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 -0.010 119.927 119.914 0.038 0.000 2.697 147 V HA 0.148 4.268 4.120 -0.001 0.000 0.300 147 V C -0.694 175.431 176.094 0.052 0.000 1.115 147 V CA -1.208 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 0.475 nan 8.190 nan 0.000 0.431 148 C N 5.492 124.832 119.300 0.068 0.000 2.573 148 C HA 0.250 4.709 4.460 -0.001 0.000 0.369 148 C C 0.953 175.970 174.990 0.044 0.000 1.205 148 C CA -0.267 58.789 59.018 0.062 0.000 1.535 148 C CB -1.479 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 3.810 124.031 120.200 0.035 0.000 2.480 149 E HA -0.001 4.348 4.350 -0.001 0.000 0.258 149 E C 1.038 177.646 176.600 0.014 0.000 0.984 149 E CA 0.288 56.701 56.400 0.021 0.000 0.930 149 E CB 0.759 30.469 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 4.356 4.350 -0.001 0.000 0.259 150 T C -0.141 174.544 174.700 -0.025 0.000 1.092 150 T CA 0.466 62.563 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 0.157 120.535 120.400 -0.035 0.000 2.736 151 D HA 0.508 5.147 4.640 -0.001 0.000 0.223 151 D C -1.356 174.902 176.300 -0.070 0.000 1.231 151 D CA -0.323 53.637 54.000 -0.066 0.000 0.818 151 D CB 2.978 43.747 40.800 -0.052 0.000 1.587 151 D HN -0.083 nan 8.370 nan 0.000 0.463 152 V N 1.216 121.059 119.914 -0.118 0.000 2.888 152 V HA 0.384 4.503 4.120 -0.001 0.000 0.309 152 V C -2.474 173.563 176.094 -0.094 0.000 1.114 152 V CA -1.684 60.562 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 0.345 177.631 177.300 -0.022 0.000 1.203 153 P CA 0.369 63.450 63.100 -0.031 0.000 0.767 153 P CB 0.573 32.265 31.700 -0.013 0.000 0.785 162 V N 0.288 120.136 119.914 -0.111 0.000 2.667 162 V HA 0.612 4.732 4.120 -0.001 0.000 0.308 162 V C 0.009 176.013 176.094 -0.149 0.000 1.048 162 V CA -0.578 61.638 62.300 -0.141 0.000 0.928 162 V CB 2.094 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 4.577 120.216 115.700 -0.101 0.000 2.480 163 S HA 0.809 5.279 4.470 -0.001 0.000 0.286 163 S C -0.311 174.257 174.600 -0.054 0.000 1.180 163 S CA -0.841 57.318 58.200 -0.069 0.000 1.075 163 S CB 1.504 64.682 63.200 -0.036 0.000 0.996 163 S HN 0.876 nan 8.310 nan 0.000 0.487 164 R N 1.842 122.322 120.500 -0.032 0.000 3.416 164 R HA 0.782 5.121 4.340 -0.001 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 -0.452 29.882 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 0.346 4.306 3.960 -0.001 0.000 0.245 165 G HA3 0.346 4.306 3.960 -0.001 0.000 0.245 165 G C -0.095 174.818 174.900 0.021 0.000 1.249 165 G CA 0.123 45.239 45.100 0.028 0.000 0.919 165 G HN 0.641 nan 8.290 nan 0.000 0.486 166 G N 0.051 108.859 108.800 0.013 0.000 2.335 166 G HA2 0.553 4.513 3.960 -0.001 0.000 0.316 166 G HA3 0.553 4.513 3.960 -0.001 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 0.843 120.151 119.300 0.015 0.000 2.063 167 C HA 0.135 4.595 4.460 -0.001 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 -0.784 26.968 27.740 0.020 0.000 1.050 167 C HN 1.238 nan 8.230 nan 0.000 0.753 168 G N 2.052 110.868 108.800 0.027 0.000 2.894 168 G HA2 -0.019 3.941 3.960 -0.001 0.000 0.203 168 G HA3 -0.019 3.941 3.960 -0.001 0.000 0.203 168 G C 0.511 175.448 174.900 0.061 0.000 1.173 168 G CA 0.309 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 1.145 119.889 118.700 0.073 0.000 2.293 169 N HA -0.031 4.708 4.740 -0.001 0.000 0.253 169 N C 0.383 175.997 175.510 0.173 0.000 1.248 169 N CA 0.761 53.880 53.050 0.115 0.000 0.845 169 N CB 0.499 39.078 38.487 0.152 0.000 1.073 169 N HN -0.024 nan 8.380 nan 0.000 0.464 170 T N 2.723 117.402 114.554 0.208 0.000 2.919 170 T HA 0.075 4.425 4.350 -0.001 0.000 0.302 170 T C 0.719 175.620 174.700 0.336 0.000 1.031 170 T CA -0.287 61.956 62.100 0.239 0.000 1.127 170 T CB 0.706 69.728 68.868 0.256 0.000 0.952 170 T HN 0.290 nan 8.240 nan 0.000 0.540 171 Q N 3.234 123.139 119.800 0.176 0.000 2.260 171 Q HA 0.341 4.681 4.340 -0.001 0.000 0.242 171 Q C -2.181 173.712 176.000 -0.179 0.000 0.932 171 Q CA -1.969 53.890 55.803 0.094 0.000 0.891 171 Q CB 0.644 29.407 28.738 0.041 0.000 1.222 171 Q HN 0.417 nan 8.270 nan 0.000 0.453 172 P HA 0.077 nan 4.420 nan 0.000 0.282 172 P C -0.911 176.124 177.300 -0.441 0.000 1.249 172 P CA -0.414 62.162 63.100 -0.874 0.000 0.806 172 P CB 0.971 32.020 31.700 -1.084 0.000 0.984 173 T N 4.129 118.432 114.554 -0.418 0.000 3.162 173 T HA 0.328 4.678 4.350 -0.001 0.000 0.316 173 T C 0.714 175.298 174.700 -0.193 0.000 1.182 173 T CA -0.199 61.766 62.100 -0.225 0.000 1.015 173 T CB -0.943 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 4.106 124.595 120.570 -0.135 0.000 2.588 174 I HA 0.305 4.475 4.170 -0.001 0.000 0.283 174 I C 0.901 177.009 176.117 -0.015 0.000 1.119 174 I CA -0.295 60.963 61.300 -0.069 0.000 1.419 174 I CB 0.408 38.408 38.000 0.000 0.000 1.394 174 I HN 0.453 nan 8.210 nan 0.000 0.562 175 R N 5.211 125.706 120.500 -0.009 0.000 2.628 175 R HA 0.501 4.841 4.340 -0.001 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 1.790 32.087 30.300 -0.005 0.000 1.188 175 R HN 0.488 nan 8.270 nan 0.000 0.450 176 K N 2.101 122.527 120.400 0.044 0.000 2.298 176 K HA 0.113 4.433 4.320 -0.001 0.000 0.280 176 K C -1.086 175.531 176.600 0.027 0.000 1.032 176 K CA -0.164 56.151 56.287 0.047 0.000 0.958 176 K CB 0.806 33.346 32.500 0.066 0.000 0.978 176 K HN 0.660 nan 8.250 nan 0.000 0.472 177 D N 3.207 123.617 120.400 0.017 0.000 2.365 177 D HA 0.212 4.851 4.640 -0.001 0.000 0.235 177 D C 0.391 176.691 176.300 0.000 0.000 1.368 177 D CA 0.539 54.542 54.000 0.006 0.000 1.001 177 D CB 1.443 42.239 40.800 -0.005 0.000 1.364 177 D HN 0.858 nan 8.370 nan 0.000 0.577 178 G N 2.457 111.265 108.800 0.012 0.000 3.274 178 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.313 178 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.313 178 G C 0.465 175.390 174.900 0.041 0.000 1.295 178 G CA 0.572 45.681 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 4.799 4.340 -0.001 0.000 0.324 179 L C 0.228 177.043 176.870 -0.092 0.000 1.307 179 L CA -0.205 54.652 54.840 0.028 0.000 1.011 179 L CB 0.808 42.916 42.059 0.081 0.000 1.422 179 L HN 0.276 nan 8.230 nan 0.000 0.617 180 K N 0.909 121.249 120.400 -0.101 0.000 2.444 180 K HA 0.750 5.070 4.320 -0.001 0.000 0.252 180 K C -1.167 175.374 176.600 -0.098 0.000 0.993 180 K CA -0.773 55.402 56.287 -0.186 0.000 0.847 180 K CB 3.001 35.414 32.500 -0.145 0.000 1.340 180 K HN -0.079 nan 8.250 nan 0.000 0.446 181 L N 1.769 122.932 121.223 -0.101 0.000 2.305 181 L HA 0.479 4.819 4.340 -0.001 0.000 0.284 181 L C -0.865 176.000 176.870 -0.008 0.000 1.013 181 L CA -1.145 53.688 54.840 -0.012 0.000 0.819 181 L CB 1.672 43.760 42.059 0.049 0.000 1.227 181 L HN 0.230 nan 8.230 nan 0.000 0.417 182 V N 2.033 121.943 119.914 -0.008 0.000 2.435 182 V HA 0.759 4.879 4.120 -0.001 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 1.606 33.425 31.823 -0.007 0.000 0.983 182 V HN 0.869 nan 8.190 nan 0.000 0.445 183 G N 2.466 111.198 108.800 -0.113 0.000 2.524 183 G HA2 0.662 4.622 3.960 -0.001 0.000 0.310 183 G HA3 0.662 4.622 3.960 -0.001 0.000 0.310 183 G C -0.552 174.062 174.900 -0.476 0.000 1.279 183 G CA -0.439 44.450 45.100 -0.352 0.000 0.974 183 G HN 0.843 nan 8.290 nan 0.000 0.484 184 S N 0.608 116.027 115.700 -0.467 0.000 2.593 184 S HA 0.782 5.251 4.470 -0.001 0.000 0.297 184 S C -0.821 173.532 174.600 -0.413 0.000 1.112 184 S CA -0.823 57.222 58.200 -0.258 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 0.689 122.000 121.300 0.019 0.000 2.799 185 W HA 0.687 5.347 4.660 -0.001 0.000 0.349 185 W C 0.137 176.666 176.519 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 31.917 29.460 0.031 0.000 1.427 185 W HN 0.877 nan 8.180 nan 0.000 0.547 200 R N 1.547 122.216 120.500 0.281 0.000 2.902 200 R HA 0.904 5.243 4.340 -0.001 0.000 0.258 200 R C -1.171 175.228 176.300 0.166 0.000 1.071 200 R CA -0.833 55.379 56.100 0.186 0.000 1.024 200 R CB 2.153 32.553 30.300 0.167 0.000 1.184 200 R HN 0.134 nan 8.270 nan 0.000 0.492 201 V N 2.495 122.462 119.914 0.088 0.000 2.407 201 V HA 0.255 4.375 4.120 -0.001 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 1.208 33.032 31.823 0.002 0.000 0.983 201 V HN 0.529 nan 8.190 nan 0.000 0.459 202 L N 5.538 126.801 121.223 0.066 0.000 2.312 202 L HA 0.299 4.638 4.340 -0.001 0.000 0.287 202 L C 1.055 177.925 176.870 -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 1.044 116.750 115.700 0.011 0.000 2.633 203 S HA 0.187 4.656 4.470 -0.001 0.000 0.257 203 S C 1.160 175.767 174.600 0.011 0.000 1.265 203 S CA -0.223 57.966 58.200 -0.018 0.000 0.980 203 S CB 0.964 64.171 63.200 0.013 0.000 1.017 203 S HN 0.551 nan 8.310 nan 0.000 0.577 204 T N 0.926 115.497 114.554 0.030 0.000 2.809 204 T HA -0.013 4.337 4.350 -0.001 0.000 0.260 204 T C 1.674 176.419 174.700 0.076 0.000 1.039 204 T CA 1.468 63.652 62.100 0.140 0.000 1.141 204 T CB -0.615 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 1.245 121.473 120.200 0.047 0.000 2.130 205 E HA -0.194 4.156 4.350 -0.001 0.000 0.196 205 E C 2.249 178.861 176.600 0.019 0.000 0.998 205 E CA 1.190 57.608 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 0.501 120.719 120.200 0.030 0.000 2.001 206 E HA -0.202 4.148 4.350 -0.001 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 1.406 121.951 120.570 -0.040 0.000 2.181 207 I HA -0.329 3.841 4.170 -0.001 0.000 0.247 207 I C 2.531 178.440 176.117 -0.347 0.000 1.081 207 I CA 1.404 62.558 61.300 -0.243 0.000 1.340 207 I CB -1.336 36.460 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 4.031 4.340 -0.001 0.000 0.222 208 L C 2.572 179.369 176.870 -0.123 0.000 1.078 208 L CA 1.812 56.560 54.840 -0.153 0.000 0.778 208 L CB -0.664 41.353 42.059 -0.070 0.000 0.893 208 L HN 0.336 nan 8.230 nan 0.000 0.436 209 N N 0.265 118.896 118.700 -0.115 0.000 2.023 209 N HA -0.262 4.478 4.740 -0.001 0.000 0.200 209 N C 1.782 177.157 175.510 -0.225 0.000 1.048 209 N CA 2.122 55.022 53.050 -0.250 0.000 0.872 209 N CB -0.624 37.878 38.487 0.024 0.000 1.070 209 N HN 0.300 nan 8.380 nan 0.000 0.441 210 I N 0.464 121.082 120.570 0.081 0.000 2.121 210 I HA -0.337 3.833 4.170 -0.001 0.000 0.243 210 I C 2.047 178.347 176.117 0.304 0.000 1.047 210 I CA 1.523 62.971 61.300 0.246 0.000 1.308 210 I CB -0.499 37.693 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 4.434 4.527 -0.001 0.000 0.298 211 F C 2.452 178.186 175.800 -0.111 0.000 1.090 211 F CA 1.130 59.071 58.000 -0.098 0.000 1.323 211 F CB -0.810 38.101 39.000 -0.149 0.000 1.028 211 F HN -0.025 nan 8.300 nan 0.000 0.492 212 K N -0.797 119.598 120.400 -0.009 0.000 2.148 212 K HA -0.126 4.194 4.320 -0.001 0.000 0.204 212 K C 1.615 178.168 176.600 -0.078 0.000 1.050 212 K CA 1.063 57.284 56.287 -0.110 0.000 0.942 212 K CB -0.247 32.122 32.500 -0.218 0.000 0.724 212 K HN 0.304 nan 8.250 nan 0.000 0.446 213 H N 0.330 119.428 119.070 0.046 0.000 2.548 213 H HA 0.123 4.679 4.556 -0.001 0.000 0.268 213 H C 0.773 176.063 175.328 -0.063 0.000 0.975 213 H CA 0.205 56.254 56.048 0.002 0.000 1.195 213 H CB -0.191 29.585 29.762 0.024 0.000 1.397 213 H HN 0.086 nan 8.280 nan 0.000 0.572 214 I N 2.396 122.972 120.570 0.010 0.000 2.752 214 I HA -0.090 4.080 4.170 -0.001 0.000 0.287 214 I C 0.859 176.685 176.117 -0.486 0.000 1.188 214 I CA 0.121 61.312 61.300 -0.181 0.000 1.427 214 I CB 0.518 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 4.560 119.960 115.700 -0.499 0.000 2.585 215 S HA 0.272 4.741 4.470 -0.001 0.000 0.277 215 S C 1.069 175.168 174.600 -0.835 0.000 1.241 215 S CA -1.025 56.853 58.200 -0.535 0.000 1.041 215 S CB 1.856 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 3.157 122.666 119.914 -0.676 0.000 2.236 216 V HA -0.320 3.800 4.120 -0.001 0.000 0.255 216 V C 2.681 178.638 176.094 -0.229 0.000 1.068 216 V CA 2.512 64.544 62.300 -0.447 0.000 1.044 216 V CB -1.149 30.592 31.823 -0.137 0.000 0.653 216 V HN 0.970 nan 8.190 nan 0.000 0.448 217 K N -0.407 119.898 120.400 -0.158 0.000 2.160 217 K HA -0.232 4.087 4.320 -0.001 0.000 0.206 217 K C 1.837 178.411 176.600 -0.044 0.000 1.047 217 K CA 1.742 57.991 56.287 -0.065 0.000 0.930 217 K CB -0.356 32.108 32.500 -0.059 0.000 0.720 217 K HN 0.585 nan 8.250 nan 0.000 0.450 218 D N -0.077 120.245 120.400 -0.130 0.000 2.224 218 D HA -0.069 4.571 4.640 -0.001 0.000 0.205 218 D C 1.766 178.117 176.300 0.085 0.000 0.965 218 D CA 0.844 54.809 54.000 -0.058 0.000 0.852 218 D CB -0.091 40.630 40.800 -0.133 0.000 0.947 218 D HN 0.205 nan 8.370 nan 0.000 0.494 219 F N 1.437 121.352 119.950 -0.058 0.000 2.014 219 F HA -0.191 4.335 4.527 -0.000 0.000 0.295 219 F C 2.729 178.587 175.800 0.097 0.000 1.145 219 F CA 0.806 58.787 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 -0.093 114.635 114.554 0.291 0.000 2.755 220 T HA -0.290 4.060 4.350 -0.001 0.000 0.266 220 T C 1.977 176.775 174.700 0.163 0.000 1.041 220 T CA 1.835 64.047 62.100 0.188 0.000 1.147 220 T CB -0.625 68.314 68.868 0.117 0.000 0.847 220 T HN 0.406 nan 8.240 nan 0.000 0.478 221 S N 0.406 116.201 115.700 0.159 0.000 2.428 221 S HA 0.106 4.576 4.470 -0.001 0.000 0.230 221 S C 0.759 175.486 174.600 0.212 0.000 1.014 221 S CA 0.258 58.549 58.200 0.151 0.000 0.957 221 S CB -0.430 62.845 63.200 0.124 0.000 0.784 221 S HN 0.447 nan 8.310 nan 0.000 0.499 222 L N 0.599 121.985 121.223 0.271 0.000 2.332 222 L HA 0.616 4.956 4.340 -0.001 0.000 0.269 222 L C 1.049 178.045 176.870 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 42.995 42.059 0.391 0.000 1.280 222 L HN 0.191 nan 8.230 nan 0.000 0.447 223 G N 1.185 109.917 108.800 -0.115 0.000 2.894 223 G HA2 0.227 4.186 3.960 -0.001 0.000 0.265 223 G HA3 0.227 4.186 3.960 -0.001 0.000 0.265 223 G C -0.613 173.897 174.900 -0.649 0.000 0.735 223 G CA 0.167 45.071 45.100 -0.327 0.000 2.064 223 G HN 0.208 nan 8.290 nan 0.000 0.590 224 F N -1.005 118.903 119.950 -0.070 0.000 2.563 224 F HA 0.366 4.892 4.527 -0.001 0.000 0.316 224 F C 0.598 176.388 175.800 -0.017 0.000 1.076 224 F CA -1.446 56.486 58.000 -0.113 0.000 0.921 224 F CB 2.308 41.105 39.000 -0.337 0.000 1.209 224 F HN 0.108 nan 8.300 nan 0.000 0.462 225 N N 0.844 119.646 118.700 0.170 0.000 2.203 225 N HA 0.014 4.753 4.740 -0.001 0.000 0.207 225 N C 1.194 176.783 175.510 0.131 0.000 1.130 225 N CA 0.841 54.002 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 -2.302 117.931 120.200 0.055 0.000 5.142 226 E HA -0.384 3.966 4.350 -0.001 0.000 0.169 226 E C 0.394 176.980 176.600 -0.023 0.000 1.322 226 E CA 2.266 58.667 56.400 0.001 0.000 2.174 226 E CB -1.748 28.067 29.700 0.192 0.000 1.883 226 E HN 0.096 nan 8.360 nan 0.000 0.358 227 V N -0.101 119.793 119.914 -0.032 0.000 2.273 227 V HA -0.040 4.080 4.120 -0.001 0.000 0.242 227 V C 2.210 178.191 176.094 -0.189 0.000 1.035 227 V CA 2.314 64.479 62.300 -0.226 0.000 1.013 227 V CB -0.692 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 0.851 120.945 119.950 0.241 0.000 2.749 228 F HA 0.295 4.822 4.527 -0.001 0.000 0.300 228 F C 0.803 176.820 175.800 0.363 0.000 1.103 228 F CA 0.469 58.607 58.000 0.231 0.000 1.342 228 F CB 0.259 39.319 39.000 0.101 0.000 1.098 228 F HN 0.228 nan 8.300 nan 0.000 0.586 229 S N 0.049 116.066 115.700 0.528 0.000 2.616 229 S HA 0.595 5.065 4.470 -0.001 0.000 0.276 229 S C -0.951 173.709 174.600 0.100 0.000 1.159 229 S CA -0.922 57.566 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 0.160 nan 8.310 nan 0.000 0.464 230 R N 2.678 122.996 120.500 -0.303 0.000 2.534 230 R HA 0.476 4.816 4.340 -0.001 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 -1.090 0.000 0.871 230 R CB 1.665 30.912 30.300 -1.755 0.000 1.170 230 R HN 0.305 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 1.513 64.189 63.100 -0.707 0.000 0.872 231 P CB 0.175 31.210 31.700 -1.108 0.000 0.790 232 E N -1.610 118.499 120.200 -0.152 0.000 2.273 232 E HA -0.230 4.120 4.350 -0.001 0.000 0.198 232 E C 1.362 177.976 176.600 0.024 0.000 1.002 232 E CA 1.091 57.468 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 0.833 122.090 121.300 -0.072 0.000 2.523 233 W HA 0.224 4.883 4.660 -0.000 0.000 0.278 233 W C 2.178 178.591 176.519 -0.177 0.000 1.236 233 W CA 0.066 57.361 57.345 -0.085 0.000 1.306 233 W CB -0.598 28.829 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 4.331 4.480 -0.001 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 -0.673 31.708 32.600 -0.365 0.000 1.398 234 M HN -0.291 nan 8.290 nan 0.000 0.473 235 I N 0.872 121.359 120.570 -0.140 0.000 2.385 235 I HA 0.202 4.372 4.170 -0.001 0.000 0.294 235 I C -0.287 175.847 176.117 0.028 0.000 0.988 235 I CA -0.605 60.613 61.300 -0.137 0.000 1.265 235 I CB 1.460 39.343 38.000 -0.195 0.000 1.388 235 I HN 0.022 nan 8.210 nan 0.000 0.480 236 L N 6.485 127.751 121.223 0.071 0.000 2.295 236 L HA 0.228 4.568 4.340 -0.001 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 42.836 42.059 0.101 0.000 1.200 236 L HN 0.747 nan 8.230 nan 0.000 0.438 237 T N 0.651 115.254 114.554 0.083 0.000 2.990 237 T HA -0.019 4.330 4.350 -0.001 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 69.201 68.868 0.090 0.000 0.885 237 T HN 0.562 nan 8.240 nan 0.000 0.424 238 C N 2.825 122.165 119.300 0.065 0.000 2.303 238 C HA 0.794 5.253 4.460 -0.001 0.000 0.326 238 C C -0.525 174.496 174.990 0.051 0.000 1.285 238 C CA -1.358 57.701 59.018 0.069 0.000 1.675 238 C CB -0.625 27.175 27.740 0.100 0.000 2.289 238 C HN 0.490 nan 8.230 nan 0.000 0.512 239 L N 9.432 130.673 121.223 0.031 0.000 2.289 239 L HA 0.676 5.016 4.340 -0.001 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 43.529 42.059 -0.026 0.000 1.195 239 L HN 0.530 nan 8.230 nan 0.000 0.428 240 P HA 0.165 nan 4.420 nan 0.000 0.292 240 P C -1.211 176.225 177.300 0.226 0.000 1.287 240 P CA -0.311 62.907 63.100 0.197 0.000 0.800 240 P CB 1.575 33.418 31.700 0.238 0.000 0.945 241 V N 6.110 126.119 119.914 0.158 0.000 2.348 241 V HA 0.226 4.346 4.120 -0.001 0.000 0.270 241 V C -1.746 174.219 176.094 -0.215 0.000 1.037 241 V CA -2.082 60.225 62.300 0.011 0.000 0.872 241 V CB 0.937 32.756 31.823 -0.007 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 -1.005 61.735 63.100 -0.600 0.000 0.765 242 P CB 0.463 32.020 31.700 -0.239 0.000 0.828 243 P HA 0.046 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 -1.078 61.895 63.100 -0.211 0.000 0.795 243 P CB -0.669 30.918 31.700 -0.188 0.000 1.064 244 P HA -0.093 nan 4.420 nan 0.000 0.215 244 P C -1.250 176.009 177.300 -0.069 0.000 1.157 244 P CA 2.601 65.663 63.100 -0.062 0.000 0.868 244 P CB -1.962 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 1.372 64.432 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 -0.593 119.273 119.914 -0.079 0.000 2.370 246 V HA -0.234 3.886 4.120 -0.001 0.000 0.252 246 V C 1.152 177.208 176.094 -0.063 0.000 1.068 246 V CA 2.107 64.364 62.300 -0.070 0.000 1.061 246 V CB -1.279 30.488 31.823 -0.094 0.000 0.656 246 V HN 0.312 nan 8.190 nan 0.000 0.455 247 R N 0.762 121.222 120.500 -0.067 0.000 2.415 247 R HA 0.428 4.767 4.340 -0.001 0.000 0.292 247 R C -2.891 173.371 176.300 -0.063 0.000 1.295 247 R CA -1.684 54.378 56.100 -0.063 0.000 1.137 247 R CB 0.596 30.864 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 -0.521 176.742 177.300 -0.062 0.000 1.244 248 P CA -0.287 62.780 63.100 -0.055 0.000 0.801 248 P CB 1.513 33.184 31.700 -0.049 0.000 1.006 260 D N 0.563 120.800 120.400 -0.272 0.000 2.406 260 D HA -0.068 4.571 4.640 -0.001 0.000 0.234 260 D C 0.264 176.338 176.300 -0.377 0.000 1.196 260 D CA 0.555 54.398 54.000 -0.263 0.000 0.881 260 D CB 0.705 41.416 40.800 -0.150 0.000 1.205 260 D HN 0.376 nan 8.370 nan 0.000 0.453 261 D N 1.953 122.193 120.400 -0.268 0.000 2.219 261 D HA -0.105 4.535 4.640 -0.001 0.000 0.205 261 D C 2.026 178.287 176.300 -0.065 0.000 0.970 261 D CA 0.461 54.344 54.000 -0.196 0.000 0.851 261 D CB 0.274 41.019 40.800 -0.091 0.000 0.943 261 D HN 0.417 nan 8.370 nan 0.000 0.488 262 L N 0.811 122.008 121.223 -0.045 0.000 2.017 262 L HA -0.166 4.174 4.340 -0.001 0.000 0.208 262 L C 2.553 179.476 176.870 0.088 0.000 1.073 262 L CA 1.127 56.002 54.840 0.058 0.000 0.745 262 L CB -0.680 41.410 42.059 0.051 0.000 0.894 262 L HN 0.031 nan 8.230 nan 0.000 0.432 263 T N -0.190 114.375 114.554 0.017 0.000 2.652 263 T HA -0.234 4.115 4.350 -0.001 0.000 0.267 263 T C 1.722 176.530 174.700 0.180 0.000 1.039 263 T CA 1.534 63.669 62.100 0.059 0.000 1.153 263 T CB -0.553 68.323 68.868 0.014 0.000 0.863 263 T HN 0.194 nan 8.240 nan 0.000 0.428 264 F N 1.424 121.364 119.950 -0.017 0.000 2.087 264 F HA -0.201 4.325 4.527 -0.001 0.000 0.299 264 F C 2.472 178.229 175.800 -0.073 0.000 1.100 264 F CA 0.965 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 0.111 120.596 120.400 0.141 0.000 2.432 265 K HA -0.026 4.294 4.320 -0.001 0.000 0.196 265 K C 1.660 178.228 176.600 -0.054 0.000 1.038 265 K CA 0.335 56.611 56.287 -0.018 0.000 0.986 265 K CB 0.061 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 -0.164 121.054 121.223 -0.008 0.000 2.375 266 L HA 0.032 4.372 4.340 -0.001 0.000 0.215 266 L C 2.223 179.064 176.870 -0.049 0.000 1.108 266 L CA 0.308 55.094 54.840 -0.090 0.000 0.830 266 L CB -0.120 41.906 42.059 -0.054 0.000 0.959 266 L HN 0.171 nan 8.230 nan 0.000 0.457 267 A N -0.549 122.272 122.820 0.002 0.000 1.898 267 A HA -0.159 4.161 4.320 -0.001 0.000 0.214 267 A C 1.834 179.409 177.584 -0.015 0.000 1.183 267 A CA 1.202 53.241 52.037 0.004 0.000 0.622 267 A CB -0.270 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 4.584 4.640 -0.001 0.000 0.208 268 D C 1.714 178.131 176.300 0.195 0.000 0.966 268 D CA 0.787 54.765 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 0.100 120.699 120.570 0.048 0.000 2.584 269 I HA -0.177 3.992 4.170 -0.001 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 0.882 122.093 121.223 -0.021 0.000 2.072 270 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 270 L C 2.342 179.193 176.870 -0.032 0.000 1.079 270 L CA 1.843 56.659 54.840 -0.040 0.000 0.752 270 L CB -0.525 41.507 42.059 -0.045 0.000 0.906 270 L HN 0.030 nan 8.230 nan 0.000 0.436 271 K N -0.905 119.491 120.400 -0.007 0.000 2.057 271 K HA -0.110 4.210 4.320 -0.001 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 1.481 124.323 122.820 0.037 0.000 1.968 272 A HA -0.179 4.141 4.320 -0.001 0.000 0.217 272 A C 1.875 179.451 177.584 -0.013 0.000 1.169 272 A CA 1.734 53.775 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 -0.014 0.000 2.216 273 N HA -0.028 4.712 4.740 -0.001 0.000 0.183 273 N C 1.476 176.966 175.510 -0.034 0.000 1.017 273 N CA 1.392 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 0.031 120.573 120.570 -0.046 0.000 2.141 274 I HA -0.225 3.945 4.170 -0.001 0.000 0.236 274 I C 2.216 178.310 176.117 -0.039 0.000 1.071 274 I CA 1.247 62.512 61.300 -0.058 0.000 1.345 274 I CB -0.580 37.362 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 4.272 4.470 -0.001 0.000 0.243 275 S C 1.858 176.444 174.600 -0.023 0.000 1.003 275 S CA 1.057 59.240 58.200 -0.028 0.000 0.970 275 S CB -0.603 62.582 63.200 -0.024 0.000 0.762 275 S HN 0.370 nan 8.310 nan 0.000 0.510 276 L N 1.427 122.636 121.223 -0.023 0.000 2.127 276 L HA 0.254 4.594 4.340 -0.001 0.000 0.203 276 L C 2.369 179.224 176.870 -0.025 0.000 1.080 276 L CA 1.578 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 -1.130 119.069 120.200 -0.001 0.000 2.150 277 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 277 E C 1.851 178.512 176.600 0.102 0.000 0.985 277 E CA 1.469 57.899 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 1.721 116.304 114.554 0.048 0.000 2.569 278 T HA -0.157 4.193 4.350 -0.001 0.000 0.263 278 T C 1.944 176.658 174.700 0.024 0.000 1.074 278 T CA 1.033 63.159 62.100 0.043 0.000 1.176 278 T CB -0.345 68.524 68.868 0.002 0.000 0.863 278 T HN 0.105 nan 8.240 nan 0.000 0.410 279 L N 0.843 122.057 121.223 -0.015 0.000 2.081 279 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 279 L C 2.544 179.371 176.870 -0.073 0.000 1.080 279 L CA 1.578 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 -1.409 118.721 120.200 -0.116 0.000 2.427 280 E HA -0.123 4.227 4.350 -0.001 0.000 0.196 280 E C 1.780 178.196 176.600 -0.307 0.000 1.028 280 E CA 0.406 56.674 56.400 -0.220 0.000 0.864 280 E CB 0.131 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 -0.485 118.561 119.070 -0.039 0.000 2.460 281 H HA 0.154 4.710 4.556 -0.001 0.000 0.297 281 H C 1.568 176.875 175.328 -0.036 0.000 1.023 281 H CA 0.295 56.322 56.048 -0.034 0.000 1.321 281 H CB 0.469 30.214 29.762 -0.028 0.000 1.455 281 H HN 0.073 nan 8.280 nan 0.000 0.539 282 N N 0.566 119.313 118.700 0.080 0.000 2.227 282 N HA -0.002 4.737 4.740 -0.001 0.000 0.203 282 N C 1.131 176.634 175.510 -0.011 0.000 1.037 282 N CA 0.696 53.763 53.050 0.028 0.000 1.005 282 N CB -0.453 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 4.534 3.960 -0.001 0.000 0.317 283 G HA3 0.575 4.534 3.960 -0.001 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 5.014 127.760 122.820 -0.123 0.000 2.366 284 A HA 0.639 4.959 4.320 -0.001 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 0.743 19.610 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 0.111 63.159 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 0.496 119.500 119.070 -0.110 0.000 1.452 286 H HA -0.210 4.346 4.556 -0.001 0.000 0.090 286 H C 0.648 175.844 175.328 -0.220 0.000 0.620 286 H CA 1.656 57.569 56.048 -0.225 0.000 1.901 286 H CB -1.918 27.686 29.762 -0.264 0.000 2.257 286 H HN 0.399 nan 8.280 nan 0.000 0.961 287 H N 1.455 120.619 119.070 0.157 0.000 2.842 287 H HA 0.478 5.033 4.556 -0.001 0.000 0.312 287 H C 0.940 176.289 175.328 0.035 0.000 1.137 287 H CA 0.862 56.947 56.048 0.062 0.000 1.176 287 H CB -0.263 29.519 29.762 0.033 0.000 1.361 287 H HN 0.491 nan 8.280 nan 0.000 0.557 288 A N -0.086 122.795 122.820 0.102 0.000 2.551 288 A HA 0.235 4.555 4.320 -0.001 0.000 0.252 288 A C 1.654 179.253 177.584 0.024 0.000 1.199 288 A CA -0.215 51.855 52.037 0.057 0.000 0.972 288 A CB 0.262 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 0.278 120.861 120.570 0.021 0.000 3.081 289 I HA -0.084 4.086 4.170 -0.001 0.000 0.274 289 I C 2.076 178.196 176.117 0.005 0.000 1.178 289 I CA 0.961 62.260 61.300 -0.003 0.000 1.460 289 I CB -0.073 37.912 38.000 -0.026 0.000 1.137 289 I HN 0.509 nan 8.210 nan 0.000 0.443 290 E N 1.704 121.921 120.200 0.030 0.000 2.501 290 E HA -0.211 4.138 4.350 -0.001 0.000 0.203 290 E C 0.903 177.504 176.600 0.000 0.000 1.072 290 E CA 0.850 57.264 56.400 0.023 0.000 0.885 290 E CB -0.377 29.355 29.700 0.053 0.000 0.813 290 E HN 0.580 nan 8.360 nan 0.000 0.556 291 E N 0.101 120.299 120.200 -0.003 0.000 2.465 291 E HA 0.159 4.508 4.350 -0.001 0.000 0.191 291 E C 1.042 177.625 176.600 -0.029 0.000 1.053 291 E CA 0.344 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 0.421 nan 8.360 nan 0.000 0.483 292 A N 0.172 122.977 122.820 -0.026 0.000 2.498 292 A HA 0.139 4.458 4.320 -0.001 0.000 0.238 292 A C 1.510 179.075 177.584 -0.032 0.000 1.225 292 A CA -0.206 51.811 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 0.602 120.789 120.200 -0.022 0.000 2.086 293 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 293 E C 2.073 178.667 176.600 -0.010 0.000 0.975 293 E CA 1.201 57.593 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 0.794 116.483 115.700 -0.019 0.000 2.474 294 S HA -0.110 4.360 4.470 -0.001 0.000 0.235 294 S C 1.907 176.515 174.600 0.013 0.000 0.997 294 S CA 0.471 58.664 58.200 -0.012 0.000 0.949 294 S CB -0.055 63.120 63.200 -0.041 0.000 0.766 294 S HN 0.083 nan 8.310 nan 0.000 0.517 295 L N 0.624 121.830 121.223 -0.028 0.000 2.068 295 L HA 0.289 4.629 4.340 -0.001 0.000 0.204 295 L C 2.201 179.011 176.870 -0.100 0.000 1.076 295 L CA 1.168 55.960 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 -0.211 120.979 121.223 -0.054 0.000 2.012 296 L HA -0.252 4.088 4.340 -0.001 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 41.148 42.059 0.002 0.000 0.891 296 L HN 0.538 nan 8.230 nan 0.000 0.431 297 Q N -1.268 118.573 119.800 0.068 0.000 2.197 297 Q HA -0.291 4.049 4.340 -0.001 0.000 0.207 297 Q C 1.999 178.110 176.000 0.184 0.000 0.984 297 Q CA 2.324 58.195 55.803 0.115 0.000 0.869 297 Q CB -0.622 28.163 28.738 0.079 0.000 0.906 297 Q HN 0.566 nan 8.270 nan 0.000 0.426 298 F N -0.468 119.486 119.950 0.007 0.000 2.187 298 F HA 0.015 4.541 4.527 -0.001 0.000 0.295 298 F C 1.755 177.655 175.800 0.166 0.000 1.091 298 F CA 1.795 59.825 58.000 0.050 0.000 1.308 298 F CB -0.360 38.634 39.000 -0.011 0.000 1.030 298 F HN 0.238 nan 8.300 nan 0.000 0.487 299 H N -1.415 117.615 119.070 -0.067 0.000 2.363 299 H HA -0.079 4.476 4.556 -0.001 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 29.688 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 3.826 4.120 -0.001 0.000 0.248 300 V C 2.667 178.847 176.094 0.145 0.000 1.053 300 V CA 1.755 64.102 62.300 0.078 0.000 1.027 300 V CB -0.826 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 -0.951 121.936 122.820 0.113 0.000 1.855 301 A HA -0.239 4.081 4.320 -0.001 0.000 0.215 301 A C 2.431 180.051 177.584 0.060 0.000 1.191 301 A CA 2.458 54.563 52.037 0.114 0.000 0.613 301 A CB -1.151 17.940 19.000 0.152 0.000 0.829 301 A HN 0.430 nan 8.150 nan 0.000 0.442 302 T N -1.600 112.916 114.554 -0.063 0.000 2.737 302 T HA -0.221 4.129 4.350 -0.001 0.000 0.269 302 T C 1.636 176.321 174.700 -0.025 0.000 1.040 302 T CA 1.809 63.815 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 0.604 nan 8.240 nan 0.000 0.456 303 Y N 0.658 120.896 120.300 -0.103 0.000 2.556 303 Y HA 0.002 4.552 4.550 -0.001 0.000 0.290 303 Y C 1.620 177.509 175.900 -0.018 0.000 1.149 303 Y CA 1.154 59.218 58.100 -0.060 0.000 1.329 303 Y CB -0.294 38.141 38.460 -0.043 0.000 0.975 303 Y HN 0.274 nan 8.280 nan 0.000 0.561 304 M N -0.754 118.805 119.600 -0.068 0.000 2.300 304 M HA 0.201 4.681 4.480 -0.001 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 -0.353 120.048 120.400 0.002 0.000 2.787 305 D HA 0.211 4.851 4.640 -0.001 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 42.060 40.800 0.055 0.000 1.649 305 D HN -0.032 nan 8.370 nan 0.000 0.507 306 N N 1.095 119.808 118.700 0.022 0.000 2.460 306 N HA 0.012 4.752 4.740 -0.001 0.000 0.193 306 N C 0.067 175.609 175.510 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 4.769 4.640 -0.001 0.000 0.248 307 D C 0.453 176.786 176.300 0.055 0.000 1.173 307 D CA 0.138 54.166 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 1.051 121.665 120.570 0.074 0.000 2.519 308 I HA 0.114 4.284 4.170 -0.001 0.000 0.287 308 I C 0.899 177.068 176.117 0.087 0.000 1.047 308 I CA -0.784 60.565 61.300 0.083 0.000 1.381 308 I CB 0.997 39.062 38.000 0.108 0.000 1.417 308 I HN -0.091 nan 8.210 nan 0.000 0.540 309 A N 4.898 127.760 122.820 0.071 0.000 2.505 309 A HA 0.498 4.818 4.320 -0.001 0.000 0.271 309 A C 0.817 178.442 177.584 0.068 0.000 1.112 309 A CA 0.879 52.952 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 4.078 3.960 -0.001 0.000 0.077 310 G HA3 0.118 4.078 3.960 -0.001 0.000 0.077 310 G C -0.316 174.617 174.900 0.054 0.000 1.448 310 G CA -0.075 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 0.807 120.677 119.800 0.115 0.000 2.421 311 Q HA 0.601 4.941 4.340 -0.001 0.000 0.280 311 Q C -2.557 173.615 176.000 0.287 0.000 1.085 311 Q CA -1.685 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 0.241 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 1.061 32.832 31.700 0.119 0.000 1.327 313 Q N -0.912 118.973 119.800 0.140 0.000 2.342 313 Q HA 0.739 5.079 4.340 -0.001 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 -1.207 118.725 119.914 0.030 0.000 2.731 322 V HA 0.443 4.563 4.120 -0.001 0.000 0.275 322 V C -2.145 173.952 176.094 0.006 0.000 1.859 322 V CA -0.694 61.621 62.300 0.025 0.000 0.858 322 V CB 1.677 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 2.309 122.707 120.400 -0.003 0.000 2.589 323 K HA 0.450 4.770 4.320 -0.001 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 2.029 117.703 115.700 -0.044 0.000 2.301 324 S HA 0.462 4.931 4.470 -0.001 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 63.462 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 4.352 4.170 -0.001 0.000 0.288 325 I C 2.961 179.046 176.117 -0.053 0.000 1.198 325 I CA -0.140 61.088 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 1.456 121.946 120.500 -0.017 0.000 2.115 326 R HA -0.238 4.102 4.340 -0.001 0.000 0.239 326 R C 2.348 178.638 176.300 -0.017 0.000 1.133 326 R CA 2.119 58.224 56.100 0.007 0.000 0.935 326 R CB -0.546 29.776 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 4.066 4.320 -0.001 0.000 0.222 327 A C 2.159 179.725 177.584 -0.030 0.000 1.175 327 A CA 1.777 53.800 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 -0.875 119.602 120.500 -0.038 0.000 2.062 328 R HA 0.043 4.383 4.340 -0.001 0.000 0.229 328 R C 1.922 178.200 176.300 -0.037 0.000 1.128 328 R CA 1.480 57.556 56.100 -0.039 0.000 0.960 328 R CB -0.394 29.878 30.300 -0.046 0.000 0.855 328 R HN 0.562 nan 8.270 nan 0.000 0.432 329 L N 0.570 121.769 121.223 -0.041 0.000 2.418 329 L HA 0.069 4.409 4.340 -0.001 0.000 0.218 329 L C 0.850 177.693 176.870 -0.045 0.000 1.125 329 L CA 0.266 55.079 54.840 -0.046 0.000 0.835 329 L CB -0.293 41.727 42.059 -0.064 0.000 0.953 329 L HN 0.017 nan 8.230 nan 0.000 0.454 330 K N 1.656 122.032 120.400 -0.040 0.000 2.524 330 K HA 0.065 4.385 4.320 -0.001 0.000 0.279 330 K C 0.723 177.298 176.600 -0.041 0.000 0.993 330 K CA 0.042 56.305 56.287 -0.039 0.000 1.030 330 K CB 0.491 32.973 32.500 -0.030 0.000 0.891 330 K HN 0.141 nan 8.250 nan 0.000 0.488 331 G N 2.837 111.606 108.800 -0.050 0.000 2.257 331 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.235 331 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.235 331 G C -0.422 174.452 174.900 -0.043 0.000 1.225 331 G CA 0.034 45.102 45.100 -0.054 0.000 0.878 331 G HN 0.705 nan 8.290 nan 0.000 0.505 332 K N 0.973 121.352 120.400 -0.035 0.000 7.487 332 K HA -0.222 4.098 4.320 -0.001 0.000 0.616 332 K C 0.897 177.484 176.600 -0.023 0.000 2.591 332 K CA 1.252 57.524 56.287 -0.025 0.000 1.991 332 K CB -0.221 32.264 32.500 -0.025 0.000 2.106 332 K HN 0.907 nan 8.250 nan 0.000 0.261 333 E N -1.843 118.346 120.200 -0.018 0.000 3.426 333 E HA -0.236 4.114 4.350 -0.001 0.000 0.291 333 E C 0.336 176.924 176.600 -0.020 0.000 0.898 333 E CA 2.046 58.436 56.400 -0.017 0.000 0.970 333 E CB -1.597 28.092 29.700 -0.017 0.000 1.489 333 E HN 0.835 nan 8.360 nan 0.000 0.461 334 G N -0.575 108.212 108.800 -0.022 0.000 2.719 334 G HA2 0.472 4.431 3.960 -0.001 0.000 0.298 334 G HA3 0.472 4.431 3.960 -0.001 0.000 0.298 334 G C 0.593 175.478 174.900 -0.025 0.000 1.433 334 G CA -0.246 44.839 45.100 -0.025 0.000 1.034 334 G HN -0.084 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 4.002 4.340 -0.001 0.000 0.571 335 R C 2.199 178.487 176.300 -0.019 0.000 0.242 335 R CA 1.932 58.019 56.100 -0.022 0.000 1.588 335 R CB -1.599 28.685 30.300 -0.026 0.000 0.785 335 R HN 0.649 nan 8.270 nan 0.000 0.576 336 I N 1.080 121.637 120.570 -0.021 0.000 2.130 336 I HA -0.404 3.766 4.170 -0.001 0.000 0.241 336 I C 2.847 178.957 176.117 -0.012 0.000 1.023 336 I CA 2.314 63.604 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 4.270 4.340 -0.001 0.000 0.232 337 R C 2.039 178.333 176.300 -0.010 0.000 1.131 337 R CA 1.549 57.642 56.100 -0.011 0.000 0.955 337 R CB -0.476 29.813 30.300 -0.018 0.000 0.851 337 R HN 0.493 nan 8.270 nan 0.000 0.432 338 G N -0.808 107.985 108.800 -0.012 0.000 3.126 338 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.224 338 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.224 338 G C 0.701 175.596 174.900 -0.009 0.000 1.142 338 G CA -0.194 44.901 45.100 -0.010 0.000 0.759 338 G HN 0.197 nan 8.290 nan 0.000 0.550 339 N N -0.567 118.127 118.700 -0.011 0.000 2.324 339 N HA 0.178 4.917 4.740 -0.001 0.000 0.235 339 N C 1.730 177.234 175.510 -0.010 0.000 1.162 339 N CA -0.067 52.977 53.050 -0.011 0.000 0.834 339 N CB 0.579 39.058 38.487 -0.014 0.000 1.354 339 N HN 0.178 nan 8.380 nan 0.000 0.471 340 L N 0.378 121.595 121.223 -0.010 0.000 2.269 340 L HA 0.280 4.619 4.340 -0.001 0.000 0.200 340 L C 1.892 178.757 176.870 -0.008 0.000 1.069 340 L CA 0.628 55.462 54.840 -0.009 0.000 0.804 340 L CB 0.043 42.097 42.059 -0.008 0.000 0.987 340 L HN -0.020 nan 8.230 nan 0.000 0.468 341 M N -1.169 118.426 119.600 -0.007 0.000 2.465 341 M HA 0.202 4.682 4.480 -0.001 0.000 0.249 341 M C 0.459 176.753 176.300 -0.009 0.000 1.130 341 M CA 0.134 55.430 55.300 -0.007 0.000 1.067 341 M CB 0.594 33.193 32.600 -0.002 0.000 1.394 341 M HN 0.173 nan 8.290 nan 0.000 0.483 342 G N 1.544 110.340 108.800 -0.007 0.000 2.883 342 G HA2 0.519 4.478 3.960 -0.001 0.000 0.285 342 G HA3 0.519 4.478 3.960 -0.001 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 1.305 121.704 120.400 -0.001 0.000 2.306 343 K HA 0.583 4.903 4.320 -0.001 0.000 0.236 343 K C -0.229 176.381 176.600 0.016 0.000 1.013 343 K CA -1.104 55.185 56.287 0.003 0.000 0.857 343 K CB 2.160 34.661 32.500 0.001 0.000 1.214 343 K HN 0.232 nan 8.250 nan 0.000 0.449 344 R N 1.757 122.267 120.500 0.016 0.000 2.196 344 R HA 0.191 4.530 4.340 -0.001 0.000 0.340 344 R C -0.138 176.180 176.300 0.030 0.000 1.043 344 R CA -0.408 55.709 56.100 0.028 0.000 0.883 344 R CB 0.610 30.918 30.300 0.014 0.000 1.078 344 R HN 0.474 nan 8.270 nan 0.000 0.462 345 V N -0.652 119.299 119.914 0.063 0.000 2.834 345 V HA 0.426 4.546 4.120 -0.001 0.000 0.313 345 V C 0.248 176.374 176.094 0.053 0.000 1.060 345 V CA -1.062 61.279 62.300 0.069 0.000 0.989 345 V CB 1.737 33.627 31.823 0.113 0.000 1.041 345 V HN 0.451 nan 8.190 nan 0.000 0.459 346 D N 0.934 121.330 120.400 -0.007 0.000 2.411 346 D HA 0.427 5.067 4.640 -0.001 0.000 0.251 346 D C 0.094 176.373 176.300 -0.036 0.000 1.201 346 D CA 0.027 53.907 54.000 -0.200 0.000 0.996 346 D CB 0.299 40.776 40.800 -0.539 0.000 1.101 346 D HN 0.732 nan 8.370 nan 0.000 0.504 347 F N -0.956 119.046 119.950 0.087 0.000 2.983 347 F HA -0.246 4.280 4.527 -0.000 0.000 0.288 347 F C 0.352 176.222 175.800 0.117 0.000 0.980 347 F CA 0.021 58.083 58.000 0.104 0.000 0.965 347 F CB -1.981 37.083 39.000 0.106 0.000 0.967 347 F HN 0.148 nan 8.300 nan 0.000 0.800 348 S N -0.461 115.348 115.700 0.181 0.000 2.599 348 S HA 1.004 5.474 4.470 -0.001 0.000 0.294 348 S C -0.445 174.194 174.600 0.065 0.000 1.094 348 S CA -0.253 57.989 58.200 0.071 0.000 0.931 348 S CB 2.816 66.047 63.200 0.052 0.000 1.093 348 S HN 1.299 nan 8.310 nan 0.000 0.488 349 A N 1.056 123.906 122.820 0.050 0.000 2.594 349 A HA 0.905 5.225 4.320 -0.001 0.000 0.295 349 A C -0.854 176.874 177.584 0.240 0.000 1.071 349 A CA -0.880 51.253 52.037 0.161 0.000 0.685 349 A CB 1.729 20.892 19.000 0.273 0.000 1.285 349 A HN 1.039 nan 8.150 nan 0.000 0.405 350 R N 0.473 121.108 120.500 0.224 0.000 2.566 350 R HA 0.729 5.069 4.340 -0.001 0.000 0.271 350 R C -1.229 175.139 176.300 0.113 0.000 1.071 350 R CA 0.176 56.436 56.100 0.266 0.000 0.915 350 R CB 2.031 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 -0.358 114.274 114.554 0.130 0.000 2.648 351 T HA 0.297 4.647 4.350 -0.001 0.000 0.304 351 T C -0.719 174.018 174.700 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 1.550 121.472 119.914 0.013 0.000 2.953 352 V HA 0.571 4.691 4.120 -0.001 0.000 0.304 352 V C 0.215 176.391 176.094 0.137 0.000 1.073 352 V CA -0.487 61.856 62.300 0.073 0.000 1.064 352 V CB 0.679 32.525 31.823 0.037 0.000 1.047 352 V HN 0.807 nan 8.190 nan 0.000 0.478 353 I N 0.846 121.546 120.570 0.217 0.000 2.797 353 I HA 0.961 5.131 4.170 -0.001 0.000 0.307 353 I C -0.228 176.080 176.117 0.319 0.000 1.033 353 I CA -0.413 61.073 61.300 0.310 0.000 1.071 353 I CB 2.411 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 0.082 0.000 2.550 354 S HA 0.750 5.220 4.470 -0.001 0.000 0.270 354 S C -0.330 173.636 174.600 -1.056 0.000 1.145 354 S CA -0.611 57.239 58.200 -0.584 0.000 0.852 354 S CB 1.003 64.004 63.200 -0.332 0.000 1.119 354 S HN 1.189 nan 8.310 nan 0.000 0.465 355 G N 0.317 107.858 108.800 -2.098 0.000 2.467 355 G HA2 0.480 4.439 3.960 -0.001 0.000 0.257 355 G HA3 0.480 4.439 3.960 -0.001 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 0.736 nan 8.290 nan 0.000 0.556 356 D N 1.858 122.153 120.400 -0.176 0.000 2.476 356 D HA 0.249 4.889 4.640 -0.001 0.000 0.251 356 D C -1.701 174.567 176.300 -0.053 0.000 1.291 356 D CA -1.630 52.302 54.000 -0.113 0.000 0.939 356 D CB 2.450 43.198 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 0.085 177.371 177.300 -0.022 0.000 1.167 357 P CA 0.302 63.382 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 -0.027 118.670 118.700 -0.005 0.000 2.467 358 N HA 0.242 4.982 4.740 -0.001 0.000 0.278 358 N C -0.220 175.311 175.510 0.035 0.000 1.306 358 N CA -0.050 53.020 53.050 0.033 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 0.529 121.765 121.223 0.021 0.000 2.381 359 L HA 0.345 4.684 4.340 -0.001 0.000 0.268 359 L C -0.029 176.859 176.870 0.031 0.000 0.997 359 L CA -0.765 54.085 54.840 0.016 0.000 0.818 359 L CB 2.271 44.325 42.059 -0.009 0.000 1.310 359 L HN -0.114 nan 8.230 nan 0.000 0.416 360 E N 1.977 122.200 120.200 0.037 0.000 2.383 360 E HA 0.006 4.356 4.350 -0.001 0.000 0.264 360 E C 0.699 177.331 176.600 0.054 0.000 1.050 360 E CA -0.221 56.212 56.400 0.055 0.000 0.896 360 E CB 1.209 30.943 29.700 0.057 0.000 0.982 360 E HN 0.468 nan 8.360 nan 0.000 0.424 361 L N 3.403 124.660 121.223 0.058 0.000 2.011 361 L HA -0.278 4.061 4.340 -0.001 0.000 0.225 361 L C 1.450 178.371 176.870 0.086 0.000 1.084 361 L CA 2.618 57.469 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 -1.426 119.034 120.400 0.100 0.000 2.352 362 D HA -0.076 4.564 4.640 -0.001 0.000 0.232 362 D C 0.814 177.269 176.300 0.260 0.000 1.055 362 D CA 0.164 54.277 54.000 0.187 0.000 0.891 362 D CB -0.181 40.665 40.800 0.078 0.000 0.897 362 D HN 0.632 nan 8.370 nan 0.000 0.529 363 Q N -0.512 119.366 119.800 0.130 0.000 2.173 363 Q HA 0.576 4.916 4.340 -0.001 0.000 0.186 363 Q C -0.852 175.060 176.000 -0.145 0.000 1.018 363 Q CA -0.989 54.837 55.803 0.039 0.000 1.064 363 Q CB 2.298 31.035 28.738 -0.001 0.000 1.130 363 Q HN 0.028 nan 8.270 nan 0.000 0.553 364 V N -0.711 119.072 119.914 -0.218 0.000 2.882 364 V HA 0.516 4.636 4.120 -0.001 0.000 0.295 364 V C -1.324 174.623 176.094 -0.244 0.000 1.273 364 V CA -0.445 61.592 62.300 -0.439 0.000 0.949 364 V CB 1.893 33.231 31.823 -0.808 0.000 1.071 364 V HN 0.779 nan 8.190 nan 0.000 0.432 365 G N 5.174 113.871 108.800 -0.173 0.000 2.356 365 G HA2 0.527 4.487 3.960 -0.001 0.000 0.300 365 G HA3 0.527 4.487 3.960 -0.001 0.000 0.300 365 G C -0.651 174.272 174.900 0.039 0.000 1.107 365 G CA -0.233 44.832 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 4.385 4.120 -0.001 0.000 0.276 366 V C -1.783 174.282 176.094 -0.048 0.000 1.028 366 V CA -1.822 60.534 62.300 0.094 0.000 0.860 366 V CB 1.717 33.612 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 0.804 178.007 177.300 -0.161 0.000 1.199 367 P CA 0.192 63.203 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 3.846 124.128 120.400 -0.196 0.000 2.097 368 K HA -0.333 3.986 4.320 -0.001 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 31.734 32.500 -0.235 0.000 0.746 368 K HN 0.556 nan 8.250 nan 0.000 0.461 369 S N 0.589 116.202 115.700 -0.145 0.000 2.359 369 S HA -0.225 4.245 4.470 -0.001 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 -0.832 62.312 63.200 -0.092 0.000 0.915 369 S HN 0.429 nan 8.310 nan 0.000 0.439 370 I N 2.516 123.036 120.570 -0.083 0.000 2.208 370 I HA -0.217 3.953 4.170 -0.001 0.000 0.245 370 I C 3.096 179.227 176.117 0.024 0.000 1.097 370 I CA 1.311 62.594 61.300 -0.027 0.000 1.363 370 I CB -0.801 37.173 38.000 -0.043 0.000 1.051 370 I HN 0.487 nan 8.210 nan 0.000 0.413 371 A N 0.470 123.282 122.820 -0.013 0.000 1.972 371 A HA -0.209 4.111 4.320 -0.001 0.000 0.219 371 A C 2.256 179.863 177.584 0.039 0.000 1.169 371 A CA 1.439 53.500 52.037 0.041 0.000 0.635 371 A CB -0.407 18.570 19.000 -0.038 0.000 0.810 371 A HN 0.324 nan 8.150 nan 0.000 0.446 372 K N -1.026 119.307 120.400 -0.112 0.000 2.439 372 K HA -0.034 4.286 4.320 -0.001 0.000 0.197 372 K C 1.532 178.156 176.600 0.041 0.000 1.041 372 K CA 1.352 57.437 56.287 -0.336 0.000 0.970 372 K CB -0.049 32.281 32.500 -0.283 0.000 0.773 372 K HN 0.499 nan 8.250 nan 0.000 0.479 373 T N 0.873 115.485 114.554 0.097 0.000 2.980 373 T HA 0.139 4.489 4.350 -0.001 0.000 0.239 373 T C 0.577 175.411 174.700 0.224 0.000 1.011 373 T CA -0.025 62.162 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 -0.016 nan 8.240 nan 0.000 0.431 374 L N 1.945 123.304 121.223 0.227 0.000 2.490 374 L HA 0.283 4.623 4.340 -0.001 0.000 0.274 374 L C 0.558 177.620 176.870 0.320 0.000 1.201 374 L CA 0.143 55.163 54.840 0.300 0.000 0.869 374 L CB 0.289 42.504 42.059 0.260 0.000 1.123 374 L HN 0.167 nan 8.230 nan 0.000 0.484 375 T N 1.174 115.936 114.554 0.347 0.000 2.831 375 T HA 0.548 4.897 4.350 -0.001 0.000 0.287 375 T C -1.806 172.986 174.700 0.154 0.000 1.070 375 T CA -0.443 61.815 62.100 0.262 0.000 1.010 375 T CB 1.270 70.302 68.868 0.274 0.000 1.264 375 T HN 0.439 nan 8.240 nan 0.000 0.532 376 Y N 2.743 123.038 120.300 -0.008 0.000 2.307 376 Y HA 0.440 4.989 4.550 -0.001 0.000 0.323 376 Y C -2.572 173.298 175.900 -0.049 0.000 1.100 376 Y CA -2.136 55.913 58.100 -0.085 0.000 1.140 376 Y CB 1.962 40.395 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 -0.206 0.000 1.276 377 P CA 0.537 63.461 63.100 -0.293 0.000 0.986 377 P CB 0.504 32.008 31.700 -0.326 0.000 1.105 378 E N 3.283 123.554 120.200 0.120 0.000 2.175 378 E HA 0.328 4.678 4.350 -0.001 0.000 0.278 378 E C -0.875 175.811 176.600 0.142 0.000 0.969 378 E CA -0.957 55.588 56.400 0.242 0.000 0.796 378 E CB 1.193 31.065 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 4.224 4.120 -0.001 0.000 0.292 379 V C -0.001 176.164 176.094 0.119 0.000 1.055 379 V CA -0.694 61.676 62.300 0.117 0.000 1.023 379 V CB 1.573 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 4.502 124.502 119.914 0.142 0.000 2.585 380 V HA 0.266 4.386 4.120 -0.001 0.000 0.296 380 V C 0.469 176.602 176.094 0.065 0.000 1.035 380 V CA 0.513 62.893 62.300 0.133 0.000 1.084 380 V CB 0.751 32.679 31.823 0.175 0.000 0.953 380 V HN 1.017 nan 8.190 nan 0.000 0.483 381 T N 7.120 121.670 114.554 -0.007 0.000 2.993 381 T HA 0.365 4.714 4.350 -0.001 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 2.368 71.113 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 64.396 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 0.282 120.544 120.300 -0.064 0.000 2.553 383 Y HA 0.003 4.553 4.550 -0.001 0.000 0.303 383 Y C 1.823 177.722 175.900 -0.002 0.000 1.194 383 Y CA 0.267 58.351 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 -2.119 116.636 118.700 0.092 0.000 2.011 384 N HA -0.059 4.681 4.740 -0.001 0.000 0.254 384 N C 0.949 176.501 175.510 0.070 0.000 1.205 384 N CA -0.034 53.067 53.050 0.085 0.000 0.783 384 N CB -0.836 37.705 38.487 0.090 0.000 1.472 384 N HN 0.215 nan 8.380 nan 0.000 0.524 385 I N 1.758 122.376 120.570 0.080 0.000 2.346 385 I HA -0.462 3.707 4.170 -0.001 0.000 0.240 385 I C 1.192 177.336 176.117 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 -0.227 120.199 120.400 0.043 0.000 2.127 386 D HA -0.273 4.367 4.640 -0.001 0.000 0.190 386 D C 2.113 178.428 176.300 0.024 0.000 1.000 386 D CA 1.882 55.899 54.000 0.028 0.000 0.839 386 D CB -0.488 40.330 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 -0.090 4.249 4.340 -0.001 0.000 0.234 387 R C 2.675 178.988 176.300 0.022 0.000 1.134 387 R CA 0.732 56.846 56.100 0.023 0.000 0.952 387 R CB -0.452 29.863 30.300 0.026 0.000 0.850 387 R HN 0.166 nan 8.270 nan 0.000 0.433 388 L N 0.178 121.423 121.223 0.035 0.000 1.989 388 L HA -0.195 4.145 4.340 -0.001 0.000 0.211 388 L C 2.550 179.438 176.870 0.030 0.000 1.071 388 L CA 2.030 56.894 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 -1.271 113.298 114.554 0.025 0.000 2.684 389 T HA -0.303 4.047 4.350 -0.001 0.000 0.267 389 T C 1.737 176.442 174.700 0.009 0.000 1.036 389 T CA 1.754 63.863 62.100 0.014 0.000 1.148 389 T CB -0.193 68.674 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 4.241 4.340 -0.001 0.000 0.206 390 Q C 2.074 178.073 176.000 -0.001 0.000 0.987 390 Q CA 1.703 57.508 55.803 0.003 0.000 0.858 390 Q CB -0.731 28.009 28.738 0.004 0.000 0.905 390 Q HN 0.559 nan 8.270 nan 0.000 0.420 391 L N -0.789 120.432 121.223 -0.005 0.000 2.005 391 L HA -0.138 4.201 4.340 -0.001 0.000 0.207 391 L C 2.374 179.230 176.870 -0.024 0.000 1.072 391 L CA 1.211 56.039 54.840 -0.019 0.000 0.744 391 L CB -0.965 41.076 42.059 -0.030 0.000 0.895 391 L HN 0.110 nan 8.230 nan 0.000 0.433 392 V N 0.160 120.067 119.914 -0.012 0.000 2.439 392 V HA -0.314 3.805 4.120 -0.001 0.000 0.253 392 V C 2.647 178.737 176.094 -0.007 0.000 1.074 392 V CA 1.816 64.111 62.300 -0.008 0.000 1.076 392 V CB -0.830 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 -0.229 120.270 120.500 -0.001 0.000 2.115 393 R HA -0.045 4.294 4.340 -0.001 0.000 0.226 393 R C 2.195 178.495 176.300 -0.000 0.000 1.100 393 R CA 0.987 57.088 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 0.409 119.108 118.700 -0.002 0.000 2.364 394 N HA -0.071 4.668 4.740 -0.001 0.000 0.183 394 N C 0.755 176.272 175.510 0.012 0.000 1.022 394 N CA 1.278 54.332 53.050 0.006 0.000 0.883 394 N CB 0.003 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 0.712 109.507 108.800 -0.009 0.000 2.846 395 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.660 395 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.660 395 G C -1.975 172.938 174.900 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 0.393 177.798 177.300 0.175 0.000 1.251 396 P CA 1.087 64.244 63.100 0.096 0.000 0.763 396 P CB -0.273 31.390 31.700 -0.062 0.000 1.067 397 N N -0.916 117.855 118.700 0.118 0.000 2.390 397 N HA 0.147 4.887 4.740 -0.001 0.000 0.259 397 N C -0.550 174.985 175.510 0.042 0.000 1.395 397 N CA -0.261 52.824 53.050 0.058 0.000 0.852 397 N CB 0.731 39.233 38.487 0.026 0.000 1.371 397 N HN 0.120 nan 8.380 nan 0.000 0.491 398 E N -0.353 119.892 120.200 0.074 0.000 2.275 398 E HA 0.152 4.502 4.350 -0.001 0.000 0.270 398 E C -0.000 176.646 176.600 0.078 0.000 0.882 398 E CA -0.488 55.946 56.400 0.056 0.000 0.758 398 E CB 1.294 31.021 29.700 0.046 0.000 1.195 398 E HN 0.179 nan 8.360 nan 0.000 0.419 399 H N 4.889 123.935 119.070 -0.039 0.000 2.371 399 H HA -0.103 4.452 4.556 -0.001 0.000 0.292 399 H C -1.358 174.021 175.328 0.086 0.000 1.066 399 H CA 2.430 58.437 56.048 -0.068 0.000 1.153 399 H CB -0.832 28.888 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 -0.211 177.041 177.300 -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 -0.621 108.272 108.800 0.155 0.000 2.702 401 G HA2 0.759 4.718 3.960 -0.001 0.000 0.254 401 G HA3 0.759 4.718 3.960 -0.001 0.000 0.254 401 G C -0.866 173.820 174.900 -0.356 0.000 1.380 401 G CA -0.250 44.885 45.100 0.059 0.000 1.042 401 G HN 0.283 nan 8.290 nan 0.000 0.557 402 A N -1.465 121.058 122.820 -0.496 0.000 2.567 402 A HA 0.851 5.171 4.320 -0.001 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 -0.574 119.649 120.400 -0.295 0.000 2.482 403 K HA 0.650 4.970 4.320 -0.001 0.000 0.257 403 K C -1.693 174.811 176.600 -0.160 0.000 0.969 403 K CA -0.734 55.367 56.287 -0.309 0.000 0.842 403 K CB 1.743 34.047 32.500 -0.328 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 4.291 4.550 -0.001 0.000 0.028 404 Y C -0.544 175.339 175.900 -0.029 0.000 1.718 404 Y CA -0.387 57.687 58.100 -0.042 0.000 1.406 404 Y CB -0.630 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 5.765 125.767 119.914 0.146 0.000 2.482 405 V HA 0.455 4.575 4.120 -0.001 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 0.473 nan 8.190 nan 0.000 0.424 406 I N 5.159 125.678 120.570 -0.086 0.000 2.353 406 I HA 0.562 4.732 4.170 -0.001 0.000 0.293 406 I C 0.339 176.198 176.117 -0.430 0.000 0.992 406 I CA -0.442 60.738 61.300 -0.200 0.000 1.268 406 I CB 1.296 39.231 38.000 -0.108 0.000 1.387 406 I HN 0.537 nan 8.210 nan 0.000 0.478 407 R N 3.154 123.297 120.500 -0.595 0.000 2.902 407 R HA 0.308 4.648 4.340 -0.001 0.000 0.258 407 R C 0.424 176.491 176.300 -0.388 0.000 1.071 407 R CA -0.851 54.693 56.100 -0.926 0.000 1.024 407 R CB 0.910 30.520 30.300 -1.150 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 4.398 4.640 -0.001 0.000 0.189 408 D C 1.652 177.926 176.300 -0.043 0.000 1.006 408 D CA 2.585 56.575 54.000 -0.017 0.000 0.855 408 D CB -0.364 40.492 40.800 0.094 0.000 0.946 408 D HN 0.572 nan 8.370 nan 0.000 0.448 409 S N -0.933 114.727 115.700 -0.067 0.000 2.442 409 S HA 0.079 4.549 4.470 -0.001 0.000 0.236 409 S C 1.735 176.298 174.600 -0.061 0.000 1.007 409 S CA 1.138 59.307 58.200 -0.051 0.000 0.965 409 S CB 0.087 63.257 63.200 -0.051 0.000 0.773 409 S HN 0.506 nan 8.310 nan 0.000 0.504 410 G N 0.941 109.680 108.800 -0.101 0.000 2.141 410 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.195 410 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.195 410 G C -0.645 174.190 174.900 -0.109 0.000 1.012 410 G CA -0.131 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 -0.221 120.091 120.400 -0.147 0.000 2.253 411 D HA 0.488 5.127 4.640 -0.001 0.000 0.249 411 D C 0.510 176.720 176.300 -0.151 0.000 1.049 411 D CA -0.214 53.706 54.000 -0.134 0.000 0.929 411 D CB 1.075 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 1.711 122.150 120.500 -0.102 0.000 2.275 412 R HA 0.387 4.727 4.340 -0.001 0.000 0.326 412 R C -0.377 175.933 176.300 0.017 0.000 0.973 412 R CA -0.535 55.521 56.100 -0.074 0.000 0.854 412 R CB 0.590 30.808 30.300 -0.137 0.000 1.156 412 R HN 0.358 nan 8.270 nan 0.000 0.487 413 I N 3.088 123.669 120.570 0.018 0.000 2.347 413 I HA -0.004 4.166 4.170 -0.001 0.000 0.294 413 I C 0.304 176.500 176.117 0.133 0.000 1.090 413 I CA -0.017 61.312 61.300 0.049 0.000 1.314 413 I CB 0.649 38.653 38.000 0.006 0.000 1.423 413 I HN 0.400 nan 8.210 nan 0.000 0.503 414 D N 7.636 128.117 120.400 0.135 0.000 2.344 414 D HA 0.064 4.704 4.640 -0.001 0.000 0.253 414 D C 1.022 177.244 176.300 -0.130 0.000 1.255 414 D CA -0.069 53.945 54.000 0.023 0.000 0.894 414 D CB 1.072 41.907 40.800 0.058 0.000 1.067 414 D HN 0.511 nan 8.370 nan 0.000 0.492 415 L N 3.920 125.015 121.223 -0.213 0.000 2.642 415 L HA -0.125 4.215 4.340 -0.001 0.000 0.236 415 L C 2.248 179.007 176.870 -0.185 0.000 1.169 415 L CA 0.626 55.368 54.840 -0.162 0.000 0.851 415 L CB -0.161 41.807 42.059 -0.152 0.000 0.968 415 L HN 0.408 nan 8.230 nan 0.000 0.453 416 R N -1.603 118.702 120.500 -0.324 0.000 2.282 416 R HA 0.099 4.439 4.340 -0.001 0.000 0.195 416 R C -0.085 176.152 176.300 -0.106 0.000 0.909 416 R CA -0.035 55.876 56.100 -0.314 0.000 1.039 416 R CB 0.160 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 0.064 120.346 120.300 -0.029 0.000 2.512 417 Y HA 0.486 5.036 4.550 -0.000 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 2.676 41.136 38.460 -0.001 0.000 1.259 417 Y HN 0.012 nan 8.280 nan 0.000 0.461 418 S N 1.837 117.636 115.700 0.165 0.000 3.005 418 S HA -0.058 4.411 4.470 -0.001 0.000 0.258 418 S C 0.297 174.938 174.600 0.068 0.000 0.620 418 S CA -0.439 57.819 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 0.888 nan 8.310 nan 0.000 0.602 419 K N 2.786 123.220 120.400 0.057 0.000 2.184 419 K HA -0.186 4.133 4.320 -0.001 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 4.599 4.340 -0.001 0.000 0.312 420 R C 0.631 176.960 176.300 0.049 0.000 1.419 420 R CA 0.144 56.272 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 4.470 4.320 -0.001 0.000 0.211 421 A C 1.670 179.270 177.584 0.027 0.000 1.176 421 A CA 0.447 52.504 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 -1.094 107.722 108.800 0.027 0.000 3.233 422 G HA2 0.222 4.182 3.960 -0.001 0.000 0.234 422 G HA3 0.222 4.182 3.960 -0.001 0.000 0.234 422 G C 0.479 175.391 174.900 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 0.488 120.906 120.400 0.030 0.000 3.387 423 D HA 0.222 4.862 4.640 -0.001 0.000 0.216 423 D C 0.686 177.009 176.300 0.039 0.000 1.147 423 D CA -0.448 53.569 54.000 0.030 0.000 1.258 423 D CB 0.311 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 1.355 121.963 120.570 0.063 0.000 8.240 424 I HA -0.228 3.942 4.170 -0.001 0.000 0.126 424 I C -0.701 175.440 176.117 0.039 0.000 1.791 424 I CA 0.114 61.475 61.300 0.101 0.000 2.143 424 I CB -0.476 37.605 38.000 0.134 0.000 3.682 424 I HN 0.310 nan 8.210 nan 0.000 0.201 425 Q N 7.154 126.941 119.800 -0.021 0.000 2.360 425 Q HA 0.513 4.853 4.340 -0.001 0.000 0.254 425 Q C -0.095 175.733 176.000 -0.287 0.000 0.975 425 Q CA -0.731 54.996 55.803 -0.127 0.000 0.912 425 Q CB 1.774 30.423 28.738 -0.147 0.000 1.212 425 Q HN 0.536 nan 8.270 nan 0.000 0.452 426 L N 2.617 123.700 121.223 -0.235 0.000 2.485 426 L HA -0.009 4.330 4.340 -0.001 0.000 0.275 426 L C 0.586 177.082 176.870 -0.623 0.000 1.207 426 L CA 0.407 55.042 54.840 -0.342 0.000 0.855 426 L CB 0.166 42.165 42.059 -0.101 0.000 1.114 426 L HN 0.344 nan 8.230 nan 0.000 0.485 427 Q N 3.007 122.182 119.800 -1.040 0.000 2.333 427 Q HA 0.323 4.663 4.340 -0.001 0.000 0.267 427 Q C -0.915 174.814 176.000 -0.453 0.000 1.012 427 Q CA -0.633 54.590 55.803 -0.968 0.000 0.824 427 Q CB 1.707 29.554 28.738 -1.486 0.000 1.290 427 Q HN 0.400 nan 8.270 nan 0.000 0.449 428 Y N 0.328 120.467 120.300 -0.267 0.000 2.895 428 Y HA 0.023 4.572 4.550 -0.001 0.000 0.334 428 Y C 1.645 177.524 175.900 -0.036 0.000 1.261 428 Y CA 0.949 58.974 58.100 -0.124 0.000 1.560 428 Y CB 0.341 38.736 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 3.716 3.960 -0.001 0.000 0.217 429 G HA3 -0.244 3.716 3.960 -0.001 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 5.391 4.660 -0.001 0.000 0.360 430 W C 0.759 177.302 176.519 0.040 0.000 1.370 430 W CA -0.446 56.924 57.345 0.042 0.000 1.433 430 W CB 0.352 29.834 29.460 0.038 0.000 1.204 430 W HN 0.019 nan 8.180 nan 0.000 0.649 431 K N 0.587 121.116 120.400 0.215 0.000 2.345 431 K HA 0.514 4.833 4.320 -0.001 0.000 0.255 431 K C -1.366 175.309 176.600 0.124 0.000 0.934 431 K CA -0.856 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 3.440 123.427 119.914 0.122 0.000 2.250 432 V HA 0.088 4.208 4.120 -0.001 0.000 0.268 432 V C -0.180 175.966 176.094 0.087 0.000 1.043 432 V CA -0.780 61.586 62.300 0.109 0.000 0.814 432 V CB 0.642 32.531 31.823 0.109 0.000 1.072 432 V HN 0.720 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 4.309 4.350 -0.001 0.000 0.240 433 E C 0.424 177.056 176.600 0.054 0.000 1.193 433 E CA 0.123 56.579 56.400 0.093 0.000 0.955 433 E CB 0.239 30.045 29.700 0.176 0.000 1.006 433 E HN 0.707 nan 8.360 nan 0.000 0.483 434 R N 2.257 122.800 120.500 0.072 0.000 2.596 434 R HA 0.364 4.703 4.340 -0.001 0.000 0.267 434 R C 0.331 176.659 176.300 0.046 0.000 1.026 434 R CA -0.839 55.260 56.100 -0.003 0.000 1.087 434 R CB 0.754 31.077 30.300 0.038 0.000 1.132 434 R HN 0.327 nan 8.270 nan 0.000 0.531 435 H N 0.446 119.555 119.070 0.065 0.000 2.801 435 H HA 0.082 4.638 4.556 -0.001 0.000 0.377 435 H C 0.447 175.842 175.328 0.113 0.000 1.304 435 H CA -0.168 55.934 56.048 0.090 0.000 1.451 435 H CB 0.505 30.295 29.762 0.046 0.000 1.474 435 H HN 0.340 nan 8.280 nan 0.000 0.620 436 I N 2.564 123.322 120.570 0.312 0.000 2.471 436 I HA 0.008 4.177 4.170 -0.001 0.000 0.286 436 I C 1.010 177.270 176.117 0.238 0.000 1.079 436 I CA 0.439 61.868 61.300 0.215 0.000 1.398 436 I CB -0.270 37.843 38.000 0.187 0.000 1.403 436 I HN 0.340 nan 8.210 nan 0.000 0.530 437 M N 3.616 123.300 119.600 0.140 0.000 2.823 437 M HA 0.341 4.820 4.480 -0.001 0.000 0.282 437 M C -0.157 176.210 176.300 0.112 0.000 1.177 437 M CA -0.999 54.393 55.300 0.154 0.000 0.871 437 M CB 0.821 33.456 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 4.730 4.640 -0.001 0.000 0.240 438 D C 0.212 176.528 176.300 0.026 0.000 1.146 438 D CA 0.865 54.901 54.000 0.060 0.000 0.897 438 D CB 0.263 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 0.438 119.148 118.700 0.016 0.000 2.863 439 N HA -0.179 4.560 4.740 -0.001 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 0.521 120.911 120.400 -0.017 0.000 2.368 440 D HA 0.222 4.862 4.640 -0.001 0.000 0.240 440 D C -1.992 174.299 176.300 -0.015 0.000 1.169 440 D CA -0.613 53.359 54.000 -0.046 0.000 0.906 440 D CB 0.493 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 0.229 nan 4.420 nan 0.000 0.300 441 P C -1.025 176.300 177.300 0.041 0.000 1.326 441 P CA -0.581 62.527 63.100 0.013 0.000 0.844 441 P CB 1.415 33.118 31.700 0.005 0.000 0.992 442 V N 1.362 121.313 119.914 0.062 0.000 2.925 442 V HA 0.473 4.592 4.120 -0.001 0.000 0.311 442 V C -0.603 175.570 176.094 0.131 0.000 1.104 442 V CA -1.193 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 4.868 4.340 -0.001 0.000 0.287 443 L C -1.163 175.884 176.870 0.294 0.000 1.072 443 L CA -0.348 54.614 54.840 0.203 0.000 0.819 443 L CB 0.816 42.986 42.059 0.185 0.000 1.176 443 L HN 0.795 nan 8.230 nan 0.000 0.435 444 F N 6.682 126.691 119.950 0.098 0.000 2.444 444 F HA 0.451 4.977 4.527 -0.001 0.000 0.342 444 F C -0.183 175.624 175.800 0.012 0.000 1.121 444 F CA -0.958 57.038 58.000 -0.005 0.000 0.997 444 F CB 1.059 40.109 39.000 0.083 0.000 1.130 444 F HN 0.529 nan 8.300 nan 0.000 0.454 445 N N 5.256 123.695 118.700 -0.435 0.000 2.284 445 N HA 0.428 5.167 4.740 -0.001 0.000 0.289 445 N C -1.908 173.323 175.510 -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 41.209 38.487 0.015 0.000 1.548 445 N HN 0.798 nan 8.380 nan 0.000 0.473 446 R N 1.121 121.462 120.500 -0.266 0.000 2.637 446 R HA 0.371 4.711 4.340 -0.001 0.000 0.291 446 R C -1.007 175.257 176.300 -0.060 0.000 0.963 446 R CA -0.409 55.570 56.100 -0.202 0.000 0.901 446 R CB 1.582 31.775 30.300 -0.179 0.000 1.160 446 R HN 0.614 nan 8.270 nan 0.000 0.457 447 Q N 3.517 123.283 119.800 -0.055 0.000 2.257 447 Q HA 0.438 4.777 4.340 -0.001 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 1.869 30.597 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 -0.959 176.321 177.300 -0.033 0.000 1.227 448 P CA -0.293 62.788 63.100 -0.031 0.000 0.781 448 P CB 0.868 32.545 31.700 -0.039 0.000 0.906 449 S N 2.723 118.411 115.700 -0.020 0.000 3.729 449 S HA 0.193 4.663 4.470 -0.001 0.000 0.235 449 S C 0.631 175.214 174.600 -0.028 0.000 1.367 449 S CA -0.555 57.641 58.200 -0.008 0.000 0.907 449 S CB -0.842 62.365 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 -0.080 0.000 3.064 450 L HA 0.610 4.950 4.340 -0.001 0.000 0.233 450 L C 0.070 176.869 176.870 -0.118 0.000 1.333 450 L CA -0.049 54.720 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 0.516 nan 8.230 nan 0.000 0.493 451 H N -1.517 117.508 119.070 -0.076 0.000 2.863 451 H HA 0.313 4.869 4.556 -0.001 0.000 0.274 451 H C -0.105 175.170 175.328 -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 -0.029 nan 8.280 nan 0.000 0.562 452 K N 0.162 120.552 120.400 -0.016 0.000 2.168 452 K HA 0.057 4.377 4.320 -0.001 0.000 0.201 452 K C 1.525 178.066 176.600 -0.097 0.000 1.049 452 K CA 0.842 57.088 56.287 -0.069 0.000 0.974 452 K CB 0.177 32.606 32.500 -0.118 0.000 0.792 452 K HN 0.266 nan 8.250 nan 0.000 0.463 453 M N 1.423 120.905 119.600 -0.197 0.000 2.521 453 M HA -0.118 4.362 4.480 -0.001 0.000 0.260 453 M C 1.638 177.756 176.300 -0.304 0.000 1.068 453 M CA 1.354 56.473 55.300 -0.302 0.000 1.060 453 M CB -0.325 32.035 32.600 -0.400 0.000 1.398 453 M HN -0.051 nan 8.290 nan 0.000 0.473 454 S N -0.748 114.928 115.700 -0.038 0.000 2.489 454 S HA 0.190 4.660 4.470 -0.001 0.000 0.228 454 S C 0.726 175.473 174.600 0.244 0.000 0.995 454 S CA 0.647 58.910 58.200 0.106 0.000 0.934 454 S CB -0.024 63.235 63.200 0.098 0.000 0.771 454 S HN 0.420 nan 8.310 nan 0.000 0.522 455 M N 1.752 121.430 119.600 0.131 0.000 2.093 455 M HA 0.492 4.971 4.480 -0.001 0.000 0.297 455 M C -1.242 175.123 176.300 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 34.356 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 0.715 5.195 4.480 -0.001 0.000 0.286 456 M C -0.631 175.626 176.300 -0.072 0.000 1.232 456 M CA -0.897 54.403 55.300 -0.000 0.000 0.877 456 M CB 2.448 34.982 32.600 -0.110 0.000 1.726 456 M HN 0.665 nan 8.290 nan 0.000 0.463 457 A N 1.452 124.184 122.820 -0.147 0.000 2.328 457 A HA 0.626 4.946 4.320 -0.001 0.000 0.284 457 A C -0.948 176.490 177.584 -0.244 0.000 1.160 457 A CA -0.262 51.714 52.037 -0.103 0.000 0.818 457 A CB 0.152 19.126 19.000 -0.044 0.000 1.087 457 A HN 0.809 nan 8.150 nan 0.000 0.504 458 H N 1.394 120.494 119.070 0.050 0.000 2.747 458 H HA 0.358 4.913 4.556 -0.001 0.000 0.371 458 H C -0.458 174.858 175.328 -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 1.056 121.625 120.500 0.115 0.000 2.347 459 R HA 0.242 4.581 4.340 -0.001 0.000 0.304 459 R C -0.108 176.207 176.300 0.024 0.000 1.072 459 R CA -0.489 55.641 56.100 0.049 0.000 0.980 459 R CB 0.714 31.037 30.300 0.038 0.000 0.986 459 R HN 0.212 nan 8.270 nan 0.000 0.448 460 V N 3.612 123.532 119.914 0.010 0.000 2.963 460 V HA 0.059 4.178 4.120 -0.001 0.000 0.306 460 V C 0.536 176.626 176.094 -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 3.334 123.722 120.400 -0.021 0.000 2.761 461 K HA 0.300 4.620 4.320 -0.001 0.000 0.257 461 K C -1.318 175.259 176.600 -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 0.431 nan 8.250 nan 0.000 0.505 462 V N 6.090 125.970 119.914 -0.055 0.000 2.572 462 V HA 0.306 4.426 4.120 -0.001 0.000 0.291 462 V C 0.826 176.843 176.094 -0.128 0.000 1.039 462 V CA -0.089 62.122 62.300 -0.148 0.000 1.055 462 V CB 0.077 31.685 31.823 -0.358 0.000 0.969 462 V HN 0.612 nan 8.190 nan 0.000 0.482 463 I N 3.230 123.728 120.570 -0.120 0.000 3.102 463 I HA 0.721 4.891 4.170 -0.001 0.000 0.310 463 I C -2.714 173.347 176.117 -0.093 0.000 1.246 463 I CA -2.560 58.694 61.300 -0.076 0.000 0.979 463 I CB 2.462 40.451 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 -0.982 176.256 177.300 -0.104 0.000 1.264 464 P CA 0.514 63.471 63.100 -0.239 0.000 0.795 464 P CB 0.183 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 4.323 4.550 -0.001 0.000 0.097 465 Y C 0.996 176.830 175.900 -0.111 0.000 1.696 465 Y CA 0.940 58.989 58.100 -0.085 0.000 1.423 465 Y CB -1.926 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 0.506 4.976 4.470 -0.001 0.000 0.237 466 S C -0.393 174.126 174.600 -0.135 0.000 1.214 466 S CA -0.005 58.151 58.200 -0.074 0.000 1.226 466 S CB 0.048 63.196 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 5.024 4.350 -0.001 0.000 0.291 467 T C -0.433 174.192 174.700 -0.125 0.000 1.028 467 T CA -0.826 61.193 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 1.729 121.677 119.950 -0.003 0.000 2.529 468 F HA 0.335 4.862 4.527 -0.000 0.000 0.365 468 F C 1.615 177.376 175.800 -0.065 0.000 1.102 468 F CA -0.534 57.426 58.000 -0.065 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 4.703 125.246 120.500 0.072 0.000 2.343 469 R HA 0.554 4.894 4.340 -0.001 0.000 0.320 469 R C -1.375 174.895 176.300 -0.049 0.000 0.956 469 R CA -0.989 55.105 56.100 -0.011 0.000 0.836 469 R CB 1.545 31.818 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 4.867 4.340 -0.001 0.000 0.264 470 L C -0.120 176.800 176.870 0.083 0.000 0.998 470 L CA -1.045 53.808 54.840 0.021 0.000 0.817 470 L CB 1.102 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 1.215 119.948 118.700 0.054 0.000 2.454 471 N HA 0.101 4.841 4.740 -0.001 0.000 0.254 471 N C 0.779 176.373 175.510 0.140 0.000 1.228 471 N CA 0.200 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 2.017 123.327 121.223 0.145 0.000 2.083 472 L HA -0.130 4.210 4.340 -0.001 0.000 0.209 472 L C 1.942 178.883 176.870 0.118 0.000 1.083 472 L CA 0.995 55.947 54.840 0.186 0.000 0.752 472 L CB -0.273 41.886 42.059 0.166 0.000 0.899 472 L HN 0.501 nan 8.230 nan 0.000 0.433 473 S N -1.165 114.574 115.700 0.064 0.000 2.803 473 S HA -0.003 4.466 4.470 -0.001 0.000 0.226 473 S C 1.307 175.849 174.600 -0.097 0.000 0.962 473 S CA 0.157 58.346 58.200 -0.020 0.000 0.968 473 S CB 0.222 63.386 63.200 -0.061 0.000 0.786 473 S HN 0.165 nan 8.310 nan 0.000 0.527 474 V N 0.301 120.231 119.914 0.027 0.000 3.528 474 V HA 0.027 4.147 4.120 -0.001 0.000 0.294 474 V C 1.966 178.179 176.094 0.197 0.000 1.404 474 V CA 0.674 63.040 62.300 0.110 0.000 1.065 474 V CB 0.132 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 1.074 115.702 114.554 0.123 0.000 2.595 475 T HA -0.209 4.141 4.350 -0.001 0.000 0.264 475 T C 2.140 176.866 174.700 0.043 0.000 1.058 475 T CA 2.483 64.626 62.100 0.071 0.000 1.166 475 T CB -0.214 68.653 68.868 -0.002 0.000 0.863 475 T HN 0.735 nan 8.240 nan 0.000 0.415 476 S N 1.892 117.592 115.700 -0.000 0.000 2.370 476 S HA -0.086 4.384 4.470 -0.001 0.000 0.226 476 S C -0.582 173.997 174.600 -0.034 0.000 1.033 476 S CA 1.230 59.419 58.200 -0.018 0.000 1.011 476 S CB -1.867 61.322 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 1.185 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 -2.688 117.607 120.300 -0.009 0.000 2.511 478 Y HA 0.122 4.672 4.550 -0.000 0.000 0.279 478 Y C 0.808 176.665 175.900 -0.071 0.000 1.157 478 Y CA -0.114 57.959 58.100 -0.046 0.000 1.300 478 Y CB -0.513 37.895 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 4.559 4.740 -0.001 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 5.124 4.320 -0.001 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 1.215 20.103 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 0.415 5.055 4.640 -0.001 0.000 0.255 481 D C -1.150 174.826 176.300 -0.540 0.000 1.246 481 D CA -0.462 53.226 54.000 -0.521 0.000 0.795 481 D CB 0.186 40.858 40.800 -0.212 0.000 1.369 481 D HN 0.206 nan 8.370 nan 0.000 0.425 482 F N 0.215 120.173 119.950 0.014 0.000 2.916 482 F HA 0.198 4.724 4.527 -0.001 0.000 0.294 482 F C 0.901 176.702 175.800 0.002 0.000 1.189 482 F CA -0.692 57.314 58.000 0.010 0.000 1.369 482 F CB 0.189 39.194 39.000 0.009 0.000 0.961 482 F HN 0.306 nan 8.300 nan 0.000 0.508 483 D N -0.852 119.601 120.400 0.088 0.000 2.328 483 D HA 0.183 4.823 4.640 -0.001 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 0.388 41.201 40.800 0.022 0.000 0.912 483 D HN 0.413 nan 8.370 nan 0.000 0.521 484 G N -0.189 108.650 108.800 0.065 0.000 2.902 484 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.215 484 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.215 484 G C -0.458 174.469 174.900 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 4.949 4.640 -0.001 0.000 0.231 485 D C 0.603 176.931 176.300 0.048 0.000 1.142 485 D CA 0.905 54.914 54.000 0.015 0.000 0.866 485 D CB 0.792 41.576 40.800 -0.027 0.000 1.190 485 D HN 0.530 nan 8.370 nan 0.000 0.469 486 E N 0.723 120.943 120.200 0.034 0.000 2.235 486 E HA 0.567 4.916 4.350 -0.001 0.000 0.265 486 E C -0.215 176.411 176.600 0.044 0.000 0.940 486 E CA -0.729 55.711 56.400 0.067 0.000 0.819 486 E CB 1.859 31.591 29.700 0.053 0.000 1.206 486 E HN 0.279 nan 8.360 nan 0.000 0.409 487 M N 1.564 121.236 119.600 0.119 0.000 2.501 487 M HA 0.364 4.844 4.480 -0.001 0.000 0.293 487 M C -1.106 175.221 176.300 0.045 0.000 1.192 487 M CA -0.990 54.281 55.300 -0.048 0.000 0.886 487 M CB 2.106 34.524 32.600 -0.305 0.000 1.710 487 M HN 0.335 nan 8.290 nan 0.000 0.457 488 N N 2.168 120.781 118.700 -0.145 0.000 2.473 488 N HA 0.654 5.394 4.740 -0.001 0.000 0.291 488 N C -1.509 173.898 175.510 -0.172 0.000 1.083 488 N CA -0.435 52.555 53.050 -0.099 0.000 0.951 488 N CB 1.905 40.334 38.487 -0.096 0.000 1.164 488 N HN 0.496 nan 8.380 nan 0.000 0.480 489 L N 2.205 123.325 121.223 -0.171 0.000 2.365 489 L HA 0.485 4.825 4.340 -0.001 0.000 0.273 489 L C -1.123 175.574 176.870 -0.288 0.000 1.000 489 L CA -0.459 54.309 54.840 -0.119 0.000 0.819 489 L CB 1.340 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 5.125 4.556 -0.001 0.000 0.357 490 H C -1.211 174.197 175.328 0.134 0.000 1.106 490 H CA -0.702 55.428 56.048 0.138 0.000 1.193 490 H CB 2.277 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 4.324 4.120 -0.001 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 0.179 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 0.086 nan 4.420 nan 0.000 0.266 492 P C -0.492 176.835 177.300 0.045 0.000 1.195 492 P CA 0.105 63.263 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 0.556 120.306 119.800 -0.084 0.000 2.353 493 Q HA 0.169 4.508 4.340 -0.001 0.000 0.240 493 Q C 0.136 175.952 176.000 -0.308 0.000 0.868 493 Q CA 0.698 56.305 55.803 -0.327 0.000 0.944 493 Q CB 0.435 28.960 28.738 -0.354 0.000 1.104 493 Q HN 0.416 nan 8.270 nan 0.000 0.531 494 S N 0.047 115.692 115.700 -0.090 0.000 2.537 494 S HA 0.176 4.646 4.470 -0.001 0.000 0.301 494 S C 0.522 175.169 174.600 0.079 0.000 1.092 494 S CA -0.566 57.611 58.200 -0.038 0.000 1.048 494 S CB 1.678 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 2.087 122.348 120.200 0.102 0.000 2.171 495 E HA -0.210 4.140 4.350 -0.001 0.000 0.197 495 E C 1.300 177.953 176.600 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 -0.843 119.394 120.200 0.062 0.000 2.006 496 E HA -0.126 4.224 4.350 -0.001 0.000 0.192 496 E C 2.143 178.773 176.600 0.051 0.000 0.993 496 E CA 1.598 58.029 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 0.185 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 -0.300 4.049 4.350 -0.001 0.000 0.265 497 T C 1.797 176.532 174.700 0.057 0.000 1.058 497 T CA 2.125 64.251 62.100 0.043 0.000 1.162 497 T CB -0.439 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 1.209 121.759 120.500 0.083 0.000 2.094 498 R HA -0.055 4.285 4.340 -0.001 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 -0.800 29.544 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 4.053 4.320 -0.001 0.000 0.219 499 A C 2.052 179.654 177.584 0.030 0.000 1.182 499 A CA 1.796 53.853 52.037 0.033 0.000 0.633 499 A CB -0.536 18.488 19.000 0.040 0.000 0.819 499 A HN 0.440 nan 8.150 nan 0.000 0.448 500 E N -0.650 119.571 120.200 0.035 0.000 2.204 500 E HA -0.114 4.235 4.350 -0.001 0.000 0.195 500 E C 1.849 178.459 176.600 0.016 0.000 0.990 500 E CA 0.812 57.230 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 0.682 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 4.280 4.340 -0.001 0.000 0.201 501 L C 2.502 179.371 176.870 -0.002 0.000 1.075 501 L CA 1.081 55.928 54.840 0.010 0.000 0.773 501 L CB -0.345 41.729 42.059 0.025 0.000 0.936 501 L HN 0.158 nan 8.230 nan 0.000 0.451 502 S N -1.332 114.370 115.700 0.003 0.000 2.515 502 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 502 S C 1.686 176.282 174.600 -0.005 0.000 0.987 502 S CA 0.579 58.777 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 -0.779 119.020 119.800 -0.001 0.000 2.316 503 Q HA 0.489 4.829 4.340 -0.001 0.000 0.235 503 Q C 1.096 177.090 176.000 -0.011 0.000 0.863 503 Q CA 0.247 56.049 55.803 -0.001 0.000 0.939 503 Q CB 0.400 29.144 28.738 0.011 0.000 1.108 503 Q HN 0.410 nan 8.270 nan 0.000 0.522 504 L N -2.226 118.987 121.223 -0.016 0.000 2.663 504 L HA 0.145 4.484 4.340 -0.001 0.000 0.218 504 L C 0.925 177.768 176.870 -0.046 0.000 1.043 504 L CA 0.764 55.587 54.840 -0.029 0.000 0.876 504 L CB 0.088 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 0.593 119.869 119.300 -0.041 0.000 2.780 505 C HA 0.654 5.114 4.460 -0.001 0.000 0.287 505 C C 1.236 176.179 174.990 -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 0.952 123.729 122.820 -0.072 0.000 2.462 506 A HA 0.386 4.706 4.320 -0.001 0.000 0.243 506 A C 1.373 178.887 177.584 -0.117 0.000 1.076 506 A CA 0.094 52.079 52.037 -0.087 0.000 0.773 506 A CB 0.373 19.342 19.000 -0.052 0.000 1.010 506 A HN 0.257 nan 8.150 nan 0.000 0.493 507 V N 3.630 123.448 119.914 -0.161 0.000 2.380 507 V HA -0.193 3.927 4.120 -0.001 0.000 0.251 507 V C -0.411 175.617 176.094 -0.110 0.000 1.063 507 V CA 2.675 64.879 62.300 -0.159 0.000 1.055 507 V CB -1.648 30.095 31.823 -0.133 0.000 0.657 507 V HN 0.788 nan 8.190 nan 0.000 0.455 508 P HA -0.166 nan 4.420 nan 0.000 0.213 508 P C 1.905 179.174 177.300 -0.052 0.000 1.170 508 P CA 1.472 64.549 63.100 -0.038 0.000 0.902 508 P CB -0.163 31.531 31.700 -0.011 0.000 0.789 509 L N -1.023 120.165 121.223 -0.058 0.000 2.351 509 L HA -0.208 4.132 4.340 -0.001 0.000 0.220 509 L C 1.958 178.767 176.870 -0.101 0.000 1.127 509 L CA 1.256 56.055 54.840 -0.068 0.000 0.786 509 L CB -0.857 41.163 42.059 -0.066 0.000 0.914 509 L HN 0.104 nan 8.230 nan 0.000 0.443 510 Q N -0.620 119.108 119.800 -0.121 0.000 2.282 510 Q HA 0.181 4.521 4.340 -0.001 0.000 0.206 510 Q C 2.118 178.021 176.000 -0.163 0.000 0.878 510 Q CA 0.198 55.908 55.803 -0.155 0.000 0.944 510 Q CB 0.644 29.272 28.738 -0.183 0.000 1.100 510 Q HN 0.597 nan 8.270 nan 0.000 0.509 511 I N 0.028 120.521 120.570 -0.128 0.000 2.163 511 I HA -0.157 4.013 4.170 -0.001 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 0.059 38.049 38.000 -0.017 0.000 1.044 511 I HN -0.136 nan 8.210 nan 0.000 0.408 512 V N 2.775 122.592 119.914 -0.163 0.000 2.320 512 V HA 0.095 4.215 4.120 -0.001 0.000 0.265 512 V C 0.426 176.395 176.094 -0.209 0.000 1.048 512 V CA -0.383 61.775 62.300 -0.236 0.000 0.865 512 V CB 0.765 32.416 31.823 -0.285 0.000 1.043 512 V HN 0.359 nan 8.190 nan 0.000 0.474 513 S N 7.393 122.979 115.700 -0.191 0.000 2.562 513 S HA 0.410 4.880 4.470 -0.001 0.000 0.275 513 S C -1.129 173.403 174.600 -0.113 0.000 1.281 513 S CA -1.128 56.968 58.200 -0.174 0.000 1.045 513 S CB 1.585 64.659 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 1.420 178.823 177.300 0.171 0.000 1.156 514 P CA 0.957 64.082 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 1.562 121.369 119.800 0.012 0.000 2.020 515 Q HA -0.114 4.225 4.340 -0.001 0.000 0.202 515 Q C 1.883 177.852 176.000 -0.052 0.000 0.982 515 Q CA 2.484 58.209 55.803 -0.131 0.000 0.838 515 Q CB -1.128 27.427 28.738 -0.306 0.000 0.899 515 Q HN 0.218 nan 8.270 nan 0.000 0.423 516 S N 0.565 116.243 115.700 -0.036 0.000 2.605 516 S HA 0.070 4.540 4.470 -0.001 0.000 0.217 516 S C 0.405 175.126 174.600 0.201 0.000 0.958 516 S CA 0.158 58.381 58.200 0.039 0.000 0.919 516 S CB -0.480 62.752 63.200 0.052 0.000 0.780 516 S HN 0.762 nan 8.310 nan 0.000 0.507 517 N N 1.468 120.255 118.700 0.146 0.000 2.650 517 N HA -0.323 4.416 4.740 -0.001 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 0.898 nan 8.380 nan 0.000 0.564 518 K N -2.055 118.382 120.400 0.062 0.000 2.279 518 K HA 0.661 4.980 4.320 -0.001 0.000 0.238 518 K C -3.041 173.433 176.600 -0.211 0.000 1.084 518 K CA -2.026 54.244 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 0.334 177.573 177.300 -0.102 0.000 1.246 519 P CA -0.474 62.509 63.100 -0.195 0.000 0.795 519 P CB 0.740 32.361 31.700 -0.131 0.000 1.006 520 C N 0.301 119.537 119.300 -0.106 0.000 2.976 520 C HA 0.596 5.056 4.460 -0.001 0.000 0.274 520 C C 0.039 174.977 174.990 -0.087 0.000 1.487 520 C CA -0.533 58.424 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 1.416 120.990 119.600 -0.043 0.000 2.206 521 M HA 0.504 4.983 4.480 -0.001 0.000 0.272 521 M C 0.277 176.662 176.300 0.141 0.000 1.012 521 M CA 0.146 55.424 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 0.416 nan 8.290 nan 0.000 0.472 522 G N 3.193 112.082 108.800 0.149 0.000 3.099 522 G HA2 0.869 4.829 3.960 -0.001 0.000 0.151 522 G HA3 0.869 4.829 3.960 -0.001 0.000 0.151 522 G C -0.786 174.290 174.900 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 0.723 121.386 120.570 0.155 0.000 2.478 523 I HA 0.388 4.557 4.170 -0.001 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 2.044 40.077 38.000 0.055 0.000 1.233 523 I HN 0.153 nan 8.210 nan 0.000 0.431 524 V N 4.312 124.267 119.914 0.069 0.000 3.182 524 V HA 0.555 4.675 4.120 -0.001 0.000 0.311 524 V C 0.438 176.555 176.094 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 -0.022 119.800 119.800 0.037 0.000 2.174 525 Q HA -0.348 3.991 4.340 -0.001 0.000 0.427 525 Q C 1.248 177.258 176.000 0.016 0.000 0.692 525 Q CA 2.294 58.120 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 0.379 120.794 120.400 0.026 0.000 2.087 526 D HA -0.097 4.542 4.640 -0.001 0.000 0.192 526 D C 2.013 178.303 176.300 -0.016 0.000 0.993 526 D CA 2.301 56.305 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 1.064 115.615 114.554 -0.004 0.000 2.737 527 T HA -0.181 4.168 4.350 -0.001 0.000 0.269 527 T C 1.831 176.509 174.700 -0.037 0.000 1.040 527 T CA 0.895 62.986 62.100 -0.015 0.000 1.142 527 T CB -0.314 68.557 68.868 0.004 0.000 0.861 527 T HN 0.027 nan 8.240 nan 0.000 0.456 528 L N 0.782 121.986 121.223 -0.032 0.000 2.034 528 L HA 0.119 4.459 4.340 -0.001 0.000 0.203 528 L C 2.731 179.547 176.870 -0.090 0.000 1.074 528 L CA 1.394 56.203 54.840 -0.051 0.000 0.748 528 L CB -1.364 40.678 42.059 -0.027 0.000 0.905 528 L HN 0.409 nan 8.230 nan 0.000 0.439 529 C N 0.242 119.477 119.300 -0.108 0.000 2.391 529 C HA -0.145 4.314 4.460 -0.001 0.000 0.276 529 C C 2.717 177.568 174.990 -0.232 0.000 1.217 529 C CA 1.133 60.028 59.018 -0.205 0.000 1.766 529 C CB -1.683 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 -0.151 108.559 108.800 -0.149 0.000 2.454 530 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.214 530 G HA3 -0.119 3.840 3.960 -0.001 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 0.607 nan 8.290 nan 0.000 0.538 531 I N 0.716 121.198 120.570 -0.147 0.000 2.231 531 I HA -0.367 3.803 4.170 -0.001 0.000 0.251 531 I C 2.812 178.790 176.117 -0.232 0.000 1.076 531 I CA 2.193 63.376 61.300 -0.195 0.000 1.347 531 I CB -0.054 37.861 38.000 -0.141 0.000 1.038 531 I HN 0.261 nan 8.210 nan 0.000 0.429 532 R N 0.972 121.359 120.500 -0.189 0.000 2.070 532 R HA -0.216 4.124 4.340 -0.001 0.000 0.232 532 R C 2.307 178.481 176.300 -0.209 0.000 1.138 532 R CA 1.958 57.954 56.100 -0.174 0.000 0.936 532 R CB -0.217 30.002 30.300 -0.135 0.000 0.839 532 R HN 0.357 nan 8.270 nan 0.000 0.429 533 K N 0.699 120.971 120.400 -0.213 0.000 1.987 533 K HA -0.209 4.110 4.320 -0.001 0.000 0.216 533 K C 2.111 178.456 176.600 -0.426 0.000 1.051 533 K CA 1.647 57.814 56.287 -0.199 0.000 0.942 533 K CB -0.762 31.712 32.500 -0.042 0.000 0.722 533 K HN 0.174 nan 8.250 nan 0.000 0.444 534 L N 1.773 122.493 121.223 -0.838 0.000 2.369 534 L HA -0.218 4.122 4.340 -0.001 0.000 0.220 534 L C 1.796 178.285 176.870 -0.636 0.000 1.119 534 L CA 1.877 55.982 54.840 -1.225 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 -0.805 113.502 114.554 -0.413 0.000 3.039 535 T HA 0.207 4.557 4.350 -0.001 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 -0.083 68.655 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 4.233 4.340 -0.001 0.000 0.301 536 L C 1.878 178.637 176.870 -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 1.435 121.851 120.500 -0.139 0.000 2.103 537 R HA -0.194 4.145 4.340 -0.001 0.000 0.242 537 R C 1.429 177.571 176.300 -0.263 0.000 1.142 537 R CA 1.724 57.717 56.100 -0.178 0.000 0.960 537 R CB -0.214 30.053 30.300 -0.055 0.000 0.858 537 R HN 0.700 nan 8.270 nan 0.000 0.439 538 D N 0.378 120.728 120.400 -0.083 0.000 2.354 538 D HA -0.074 4.565 4.640 -0.001 0.000 0.216 538 D C -0.202 176.101 176.300 0.005 0.000 0.970 538 D CA 0.879 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 0.721 115.134 114.554 -0.235 0.000 2.738 539 T HA 0.331 4.680 4.350 -0.001 0.000 0.298 539 T C -0.308 174.158 174.700 -0.390 0.000 0.962 539 T CA -0.277 61.725 62.100 -0.164 0.000 0.972 539 T CB 0.236 69.005 68.868 -0.165 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 0.732 5.259 4.527 -0.001 0.000 0.318 540 F C -0.174 175.766 175.800 0.234 0.000 1.065 540 F CA -1.234 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 0.761 121.606 120.570 0.458 0.000 2.785 541 I HA 0.397 4.566 4.170 -0.001 0.000 0.302 541 I C -0.846 175.507 176.117 0.394 0.000 1.069 541 I CA -0.748 60.778 61.300 0.376 0.000 1.045 541 I CB 2.318 40.508 38.000 0.317 0.000 1.236 541 I HN 0.638 nan 8.210 nan 0.000 0.429 542 E N 3.965 124.327 120.200 0.271 0.000 2.299 542 E HA 0.459 4.808 4.350 -0.001 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 1.740 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 2.180 123.462 121.223 0.099 0.000 2.352 543 L HA -0.447 3.892 4.340 -0.001 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 -0.993 41.127 42.059 0.101 0.000 0.987 543 L HN 1.046 nan 8.230 nan 0.000 0.426 544 D N -1.384 119.008 120.400 -0.014 0.000 2.192 544 D HA -0.323 4.316 4.640 -0.001 0.000 0.189 544 D C 1.868 178.162 176.300 -0.011 0.000 1.007 544 D CA 2.510 56.502 54.000 -0.012 0.000 0.859 544 D CB -0.730 40.075 40.800 0.009 0.000 0.936 544 D HN 0.766 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 4.253 4.340 -0.001 0.000 0.200 545 Q C 2.772 178.770 176.000 -0.003 0.000 0.980 545 Q CA 1.515 57.380 55.803 0.104 0.000 0.832 545 Q CB -0.041 28.797 28.738 0.166 0.000 0.897 545 Q HN 0.259 nan 8.270 nan 0.000 0.427 546 V N 1.737 121.565 119.914 -0.144 0.000 2.252 546 V HA -0.358 3.762 4.120 -0.001 0.000 0.255 546 V C 2.339 178.215 176.094 -0.365 0.000 1.071 546 V CA 2.030 64.111 62.300 -0.364 0.000 1.050 546 V CB -0.942 30.366 31.823 -0.857 0.000 0.654 546 V HN 0.409 nan 8.190 nan 0.000 0.448 547 L N -0.040 120.995 121.223 -0.313 0.000 2.127 547 L HA -0.193 4.147 4.340 -0.001 0.000 0.211 547 L C 2.520 179.237 176.870 -0.255 0.000 1.089 547 L CA 1.633 56.306 54.840 -0.277 0.000 0.757 547 L CB -0.785 41.179 42.059 -0.159 0.000 0.899 547 L HN 0.457 nan 8.230 nan 0.000 0.434 548 N N -0.073 118.526 118.700 -0.167 0.000 2.135 548 N HA -0.087 4.653 4.740 -0.001 0.000 0.186 548 N C 1.965 177.339 175.510 -0.227 0.000 1.027 548 N CA 1.188 54.130 53.050 -0.180 0.000 0.849 548 N CB -0.122 38.291 38.487 -0.123 0.000 1.002 548 N HN 0.285 nan 8.380 nan 0.000 0.425 549 M N 0.800 120.296 119.600 -0.174 0.000 2.082 549 M HA -0.175 4.304 4.480 -0.001 0.000 0.258 549 M C 2.142 178.310 176.300 -0.220 0.000 1.069 549 M CA 1.423 56.655 55.300 -0.113 0.000 1.102 549 M CB -0.540 32.054 32.600 -0.010 0.000 1.336 549 M HN 0.095 nan 8.290 nan 0.000 0.404 550 L N -1.368 119.573 121.223 -0.469 0.000 1.970 550 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 550 L C 2.646 179.061 176.870 -0.759 0.000 1.071 550 L CA 1.577 55.853 54.840 -0.940 0.000 0.751 550 L CB -1.055 40.009 42.059 -1.659 0.000 0.889 550 L HN 0.224 nan 8.230 nan 0.000 0.432 551 Y N -0.507 119.372 120.300 -0.702 0.000 2.151 551 Y HA -0.309 4.241 4.550 -0.001 0.000 0.284 551 Y C 2.277 178.070 175.900 -0.179 0.000 1.166 551 Y CA 1.086 59.008 58.100 -0.297 0.000 1.163 551 Y CB -0.799 37.499 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 4.491 4.660 -0.001 0.000 0.299 552 W C 0.666 177.037 176.519 -0.246 0.000 1.215 552 W CA 1.159 58.291 57.345 -0.354 0.000 1.244 552 W CB -0.335 28.890 29.460 -0.393 0.000 1.140 552 W HN -0.317 nan 8.180 nan 0.000 0.523 553 V N 3.694 123.654 119.914 0.078 0.000 2.421 553 V HA -0.065 4.054 4.120 -0.001 0.000 0.271 553 V C -0.676 175.474 176.094 0.093 0.000 1.031 553 V CA -0.705 61.639 62.300 0.074 0.000 1.032 553 V CB 0.569 32.418 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 1.218 64.348 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 -1.681 118.794 120.400 0.125 0.000 2.325 555 D HA -0.011 4.629 4.640 -0.001 0.000 0.234 555 D C 0.388 176.805 176.300 0.194 0.000 1.122 555 D CA -0.217 53.857 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 3.760 125.077 121.300 0.028 0.000 2.257 556 W HA -0.073 4.587 4.660 -0.001 0.000 0.337 556 W C 1.078 177.620 176.519 0.038 0.000 1.321 556 W CA -0.633 56.735 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 3.620 123.830 120.400 -0.317 0.000 2.325 557 D HA 0.041 4.680 4.640 -0.001 0.000 0.234 557 D C 1.584 177.343 176.300 -0.903 0.000 1.122 557 D CA 0.475 54.220 54.000 -0.424 0.000 0.850 557 D CB -0.673 40.011 40.800 -0.194 0.000 0.921 557 D HN 0.761 nan 8.370 nan 0.000 0.513 558 G N 0.268 107.853 108.800 -2.026 0.000 2.256 558 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.279 558 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.279 558 G C 0.337 174.413 174.900 -1.374 0.000 0.998 558 G CA 0.589 44.184 45.100 -2.508 0.000 0.720 558 G HN 0.416 nan 8.290 nan 0.000 0.521 559 V N 2.249 121.699 119.914 -0.773 0.000 2.304 559 V HA 0.324 4.443 4.120 -0.001 0.000 0.269 559 V C 1.099 177.344 176.094 0.251 0.000 1.036 559 V CA -0.811 61.403 62.300 -0.144 0.000 0.840 559 V CB 0.900 32.674 31.823 -0.081 0.000 1.036 559 V HN 0.332 nan 8.190 nan 0.000 0.466 560 I N 8.772 129.568 120.570 0.377 0.000 2.742 560 I HA 0.073 4.242 4.170 -0.001 0.000 0.287 560 I C -1.434 174.904 176.117 0.368 0.000 1.186 560 I CA -0.728 60.845 61.300 0.454 0.000 1.417 560 I CB 0.475 38.690 38.000 0.358 0.000 1.377 560 I HN 0.429 nan 8.210 nan 0.000 0.556 561 P HA 0.141 nan 4.420 nan 0.000 0.282 561 P C -0.499 177.080 177.300 0.465 0.000 1.249 561 P CA -0.452 62.867 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 4.638 119.334 114.554 0.236 0.000 2.902 562 T HA 0.134 4.484 4.350 -0.001 0.000 0.301 562 T C -2.021 172.589 174.700 -0.150 0.000 1.012 562 T CA -0.213 61.932 62.100 0.075 0.000 1.151 562 T CB -0.735 68.145 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 0.326 177.329 177.300 -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 3.124 125.754 122.820 -0.317 0.000 2.014 564 A HA 0.003 4.322 4.320 -0.001 0.000 0.218 564 A C 0.947 178.472 177.584 -0.099 0.000 1.163 564 A CA 1.230 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 -0.817 119.644 120.570 -0.182 0.000 2.569 565 I HA 0.363 4.532 4.170 -0.001 0.000 0.296 565 I C 0.093 176.073 176.117 -0.229 0.000 1.028 565 I CA -0.324 60.877 61.300 -0.164 0.000 1.082 565 I CB 2.113 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 3.918 124.393 120.570 -0.159 0.000 4.439 566 I HA 0.031 4.201 4.170 -0.001 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 0.127 38.057 38.000 -0.116 0.000 1.221 566 I HN 0.570 nan 8.210 nan 0.000 0.429 567 K N 3.115 123.463 120.400 -0.087 0.000 2.797 567 K HA 0.110 4.429 4.320 -0.001 0.000 0.307 567 K C -1.220 175.346 176.600 -0.057 0.000 1.072 567 K CA -0.338 55.910 56.287 -0.065 0.000 0.981 567 K CB -1.471 30.989 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 -0.467 176.814 177.300 -0.031 0.000 1.149 568 P CA 1.746 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 4.624 4.320 -0.001 0.000 0.257 569 K C -3.075 173.493 176.600 -0.053 0.000 0.933 569 K CA -2.049 54.223 56.287 -0.025 0.000 0.820 569 K CB 2.630 35.120 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 32.094 31.700 -0.143 0.000 1.132 571 L N 4.354 125.495 121.223 -0.137 0.000 2.334 571 L HA 0.526 4.866 4.340 -0.001 0.000 0.276 571 L C 0.294 177.239 176.870 0.126 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 0.371 nan 8.230 nan 0.000 0.428 572 W N 0.917 122.343 121.300 0.210 0.000 2.578 572 W HA 0.570 5.229 4.660 -0.000 0.000 0.353 572 W C 0.361 177.027 176.519 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 31.691 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 5.000 4.470 -0.001 0.000 0.284 573 S C 0.895 175.487 174.600 -0.013 0.000 1.153 573 S CA -0.032 58.168 58.200 0.000 0.000 0.995 573 S CB 1.373 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 0.796 109.490 108.800 -0.177 0.000 2.434 574 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.214 574 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.214 574 G C 1.220 176.030 174.900 -0.151 0.000 1.202 574 G CA 0.703 45.673 45.100 -0.216 0.000 0.788 574 G HN 0.782 nan 8.290 nan 0.000 0.539 575 K N 0.180 120.493 120.400 -0.146 0.000 2.052 575 K HA -0.245 4.074 4.320 -0.001 0.000 0.215 575 K C 2.646 179.223 176.600 -0.039 0.000 1.053 575 K CA 1.783 58.011 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 0.342 120.152 119.800 0.016 0.000 2.028 576 Q HA -0.254 4.086 4.340 -0.001 0.000 0.213 576 Q C 2.358 178.408 176.000 0.085 0.000 1.017 576 Q CA 2.485 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 -1.943 118.657 120.570 0.050 0.000 2.286 577 I HA -0.174 3.996 4.170 -0.001 0.000 0.245 577 I C 2.384 178.479 176.117 -0.036 0.000 1.104 577 I CA 0.805 62.101 61.300 -0.007 0.000 1.397 577 I CB -0.526 37.446 38.000 -0.048 0.000 1.072 577 I HN 0.111 nan 8.210 nan 0.000 0.417 578 L N 2.083 123.268 121.223 -0.064 0.000 2.051 578 L HA -0.222 4.118 4.340 -0.001 0.000 0.214 578 L C 2.515 179.352 176.870 -0.055 0.000 1.076 578 L CA 2.137 56.929 54.840 -0.080 0.000 0.758 578 L CB -0.968 41.020 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 4.303 4.470 -0.001 0.000 0.243 579 S C 1.906 176.508 174.600 0.003 0.000 1.003 579 S CA 1.185 59.372 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 1.501 121.424 119.914 0.014 0.000 2.453 580 V HA -0.145 3.975 4.120 -0.001 0.000 0.247 580 V C 2.607 178.722 176.094 0.035 0.000 1.048 580 V CA 1.483 63.813 62.300 0.051 0.000 1.049 580 V CB -1.223 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 0.196 123.013 122.820 -0.005 0.000 1.877 581 A HA -0.045 4.274 4.320 -0.001 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 4.241 4.170 -0.001 0.000 0.285 582 I C -1.760 174.337 176.117 -0.034 0.000 1.168 582 I CA -1.550 59.716 61.300 -0.057 0.000 1.424 582 I CB 0.513 38.469 38.000 -0.073 0.000 1.377 582 I HN 0.253 nan 8.210 nan 0.000 0.560 583 P HA 0.107 nan 4.420 nan 0.000 0.277 583 P C -0.951 176.325 177.300 -0.041 0.000 1.276 583 P CA -0.518 62.570 63.100 -0.020 0.000 0.788 583 P CB 0.582 32.274 31.700 -0.014 0.000 1.114 584 N N -1.099 117.582 118.700 -0.030 0.000 2.483 584 N HA 0.279 5.019 4.740 -0.001 0.000 0.269 584 N C 1.328 176.792 175.510 -0.076 0.000 1.209 584 N CA 0.669 53.690 53.050 -0.049 0.000 0.969 584 N CB -0.036 38.441 38.487 -0.017 0.000 1.173 584 N HN 0.803 nan 8.380 nan 0.000 0.475 585 G N -0.181 108.539 108.800 -0.134 0.000 2.159 585 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.256 585 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.256 585 G C -0.134 174.573 174.900 -0.322 0.000 0.977 585 G CA -0.227 44.793 45.100 -0.134 0.000 0.652 585 G HN 0.463 nan 8.290 nan 0.000 0.531 586 I N 2.161 122.487 120.570 -0.407 0.000 2.331 586 I HA 0.438 4.608 4.170 -0.001 0.000 0.292 586 I C 0.279 176.070 176.117 -0.543 0.000 0.998 586 I CA -0.591 60.516 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 6.312 125.378 119.070 -0.007 0.000 2.622 587 H HA 0.669 5.225 4.556 -0.001 0.000 0.363 587 H C -1.153 174.156 175.328 -0.031 0.000 1.151 587 H CA -0.912 55.128 56.048 -0.014 0.000 1.184 587 H CB 3.243 33.009 29.762 0.006 0.000 1.643 587 H HN 0.334 nan 8.280 nan 0.000 0.531 588 L N 2.034 123.288 121.223 0.051 0.000 2.737 588 L HA 0.183 4.523 4.340 -0.001 0.000 0.261 588 L C -1.211 175.623 176.870 -0.059 0.000 0.949 588 L CA -0.097 54.736 54.840 -0.012 0.000 0.952 588 L CB 1.822 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 3.029 122.822 119.800 -0.012 0.000 2.226 589 Q HA 0.590 4.930 4.340 -0.001 0.000 0.256 589 Q C -0.245 175.759 176.000 0.007 0.000 0.962 589 Q CA -0.432 55.371 55.803 -0.001 0.000 0.887 589 Q CB 2.993 31.832 28.738 0.169 0.000 1.282 589 Q HN 0.744 nan 8.270 nan 0.000 0.449 590 R N 0.981 121.451 120.500 -0.050 0.000 3.815 590 R HA 0.274 4.613 4.340 -0.001 0.000 0.133 590 R C -0.989 175.449 176.300 0.230 0.000 1.740 590 R CA 0.040 56.146 56.100 0.011 0.000 1.270 590 R CB 0.748 30.972 30.300 -0.126 0.000 1.340 590 R HN 0.576 nan 8.270 nan 0.000 0.449 591 F N 1.999 121.980 119.950 0.052 0.000 2.160 591 F HA -0.180 4.347 4.527 -0.001 0.000 0.500 591 F C -0.623 175.200 175.800 0.037 0.000 1.264 591 F CA 0.304 58.350 58.000 0.076 0.000 1.610 591 F CB -0.715 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 2.311 122.801 120.400 0.149 0.000 2.530 592 D HA 0.220 4.860 4.640 -0.001 0.000 0.282 592 D C 1.419 177.781 176.300 0.102 0.000 1.204 592 D CA -0.321 53.734 54.000 0.092 0.000 1.093 592 D CB 0.349 41.177 40.800 0.047 0.000 1.154 592 D HN 0.584 nan 8.370 nan 0.000 0.593 593 E N 0.196 120.433 120.200 0.060 0.000 2.045 593 E HA -0.181 4.169 4.350 -0.001 0.000 0.212 593 E C 1.352 177.990 176.600 0.064 0.000 1.039 593 E CA 1.487 57.917 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 0.981 109.814 108.800 0.055 0.000 3.518 594 G HA2 0.063 4.023 3.960 -0.001 0.000 0.273 594 G HA3 0.063 4.023 3.960 -0.001 0.000 0.273 594 G C -0.048 174.894 174.900 0.069 0.000 1.199 594 G CA -0.211 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 0.973 115.605 114.554 0.130 0.000 2.856 595 T HA 0.423 4.773 4.350 -0.001 0.000 0.306 595 T C 0.506 175.322 174.700 0.194 0.000 1.062 595 T CA 0.451 62.638 62.100 0.144 0.000 1.083 595 T CB 0.975 69.973 68.868 0.216 0.000 0.984 595 T HN 0.206 nan 8.240 nan 0.000 0.542 596 T N 0.447 115.045 114.554 0.073 0.000 4.024 596 T HA 0.185 4.535 4.350 -0.001 0.000 0.193 596 T C 0.167 174.826 174.700 -0.070 0.000 0.697 596 T CA -0.970 61.186 62.100 0.093 0.000 1.393 596 T CB -1.002 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 1.047 122.212 121.223 -0.098 0.000 4.356 597 L HA -0.190 4.150 4.340 -0.001 0.000 0.506 597 L C 0.878 177.540 176.870 -0.347 0.000 1.022 597 L CA 0.949 55.633 54.840 -0.259 0.000 0.782 597 L CB -1.229 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 -1.420 119.498 121.223 -0.509 0.000 5.473 598 L HA -0.022 4.318 4.340 -0.001 0.000 0.554 598 L C 0.815 177.492 176.870 -0.321 0.000 0.724 598 L CA 0.447 55.090 54.840 -0.329 0.000 2.268 598 L CB 0.140 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 1.183 116.602 115.700 -0.469 0.000 3.649 599 S HA -0.106 4.363 4.470 -0.001 0.000 0.266 599 S C -0.991 173.524 174.600 -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 0.517 177.800 177.300 -0.029 0.000 1.144 600 P CA 1.295 64.365 63.100 -0.051 0.000 0.806 600 P CB 0.042 31.722 31.700 -0.035 0.000 0.771 601 K N -0.525 119.861 120.400 -0.024 0.000 2.437 601 K HA 0.064 4.383 4.320 -0.001 0.000 0.205 601 K C 0.112 176.712 176.600 0.001 0.000 1.026 601 K CA -0.253 56.031 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 1.732 122.131 120.400 -0.002 0.000 2.697 602 D HA -0.178 4.461 4.640 -0.001 0.000 0.235 602 D C -0.648 175.686 176.300 0.055 0.000 1.167 602 D CA 0.565 54.584 54.000 0.031 0.000 0.656 602 D CB -1.018 39.787 40.800 0.007 0.000 1.025 602 D HN 0.190 nan 8.370 nan 0.000 0.419 603 N N -0.467 118.277 118.700 0.074 0.000 2.538 603 N HA 0.695 5.434 4.740 -0.001 0.000 0.292 603 N C 1.263 176.851 175.510 0.131 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 0.111 108.939 108.800 0.046 0.000 2.564 604 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.309 604 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.309 604 G C -0.316 174.475 174.900 -0.181 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 -1.811 117.517 119.600 -0.453 0.000 2.490 605 M HA 0.721 5.201 4.480 -0.001 0.000 0.286 605 M C -2.055 173.696 176.300 -0.916 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 5.618 126.248 121.223 -0.987 0.000 2.555 606 L HA 0.712 5.051 4.340 -0.001 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 -0.705 0.000 0.876 606 L CB 1.318 42.809 42.059 -0.946 0.000 1.216 606 L HN 0.744 nan 8.230 nan 0.000 0.415 607 I N 6.101 126.553 120.570 -0.195 0.000 2.389 607 I HA 0.516 4.685 4.170 -0.001 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 1.679 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 4.937 125.503 120.570 -0.007 0.000 2.608 608 I HA 0.270 4.440 4.170 -0.001 0.000 0.295 608 I C -0.052 176.058 176.117 -0.013 0.000 1.049 608 I CA -0.569 60.786 61.300 0.092 0.000 1.063 608 I CB 1.855 39.949 38.000 0.157 0.000 1.248 608 I HN 0.585 nan 8.210 nan 0.000 0.424 609 D N 4.661 125.000 120.400 -0.102 0.000 2.701 609 D HA -0.196 4.444 4.640 -0.001 0.000 0.235 609 D C 1.025 177.255 176.300 -0.117 0.000 1.155 609 D CA 1.534 55.477 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 -0.238 108.444 108.800 -0.197 0.000 2.283 610 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.280 610 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.280 610 G C -0.112 174.750 174.900 -0.063 0.000 1.029 610 G CA 0.628 45.655 45.100 -0.122 0.000 0.840 610 G HN 0.521 nan 8.290 nan 0.000 0.505 611 Q N -0.685 119.083 119.800 -0.054 0.000 2.292 611 Q HA 0.425 4.765 4.340 -0.001 0.000 0.270 611 Q C -0.071 175.906 176.000 -0.039 0.000 1.024 611 Q CA -0.777 55.013 55.803 -0.022 0.000 0.768 611 Q CB 1.925 30.669 28.738 0.011 0.000 1.250 611 Q HN 0.471 nan 8.270 nan 0.000 0.447 612 I N 4.728 125.268 120.570 -0.049 0.000 2.421 612 I HA 0.038 4.208 4.170 -0.001 0.000 0.291 612 I C 0.846 176.934 176.117 -0.049 0.000 1.089 612 I CA 0.244 61.496 61.300 -0.079 0.000 1.354 612 I CB 0.371 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 8.071 128.606 120.570 -0.058 0.000 2.494 613 I HA 0.014 4.183 4.170 -0.001 0.000 0.250 613 I C 0.050 176.238 176.117 0.118 0.000 1.112 613 I CA 0.615 61.932 61.300 0.029 0.000 1.438 613 I CB -0.053 37.988 38.000 0.068 0.000 1.111 613 I HN 0.546 nan 8.210 nan 0.000 0.431 614 F N 0.093 120.002 119.950 -0.068 0.000 2.688 614 F HA 0.719 5.245 4.527 -0.001 0.000 0.308 614 F C -0.629 175.105 175.800 -0.110 0.000 1.117 614 F CA -0.988 56.961 58.000 -0.085 0.000 0.976 614 F CB 0.757 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 1.561 110.461 108.800 0.166 0.000 2.885 615 G HA2 0.306 4.265 3.960 -0.001 0.000 0.685 615 G HA3 0.306 4.265 3.960 -0.001 0.000 0.685 615 G C -1.638 173.233 174.900 -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 1.585 121.473 119.914 -0.043 0.000 2.811 616 V HA 0.367 4.486 4.120 -0.001 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 5.368 125.211 119.914 -0.119 0.000 2.364 617 V HA 0.473 4.593 4.120 -0.001 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 0.876 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 3.233 123.380 120.200 -0.088 0.000 2.350 618 E HA 0.438 4.787 4.350 -0.001 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 0.209 120.585 120.400 -0.041 0.000 2.077 619 K HA -0.264 4.056 4.320 -0.001 0.000 0.213 619 K C 1.640 178.225 176.600 -0.024 0.000 1.051 619 K CA 2.363 58.634 56.287 -0.026 0.000 0.929 619 K CB -0.254 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 -0.659 119.724 120.400 -0.028 0.000 2.103 620 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 620 K C 2.094 178.672 176.600 -0.037 0.000 1.048 620 K CA 1.946 58.217 56.287 -0.027 0.000 0.930 620 K CB -0.098 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 -0.029 114.492 114.554 -0.055 0.000 2.814 621 T HA -0.046 4.303 4.350 -0.001 0.000 0.254 621 T C 1.796 176.456 174.700 -0.067 0.000 1.037 621 T CA 0.852 62.909 62.100 -0.071 0.000 1.143 621 T CB 0.058 68.868 68.868 -0.097 0.000 0.866 621 T HN 0.008 nan 8.240 nan 0.000 0.431 622 V N 1.066 120.940 119.914 -0.067 0.000 3.578 622 V HA 0.428 4.547 4.120 -0.001 0.000 0.290 622 V C 1.339 177.412 176.094 -0.035 0.000 1.376 622 V CA 0.137 62.392 62.300 -0.074 0.000 1.083 622 V CB -0.548 31.218 31.823 -0.095 0.000 0.911 622 V HN 0.494 nan 8.190 nan 0.000 0.433 623 G N 0.561 109.351 108.800 -0.017 0.000 2.527 623 G HA2 0.118 4.077 3.960 -0.001 0.000 0.279 623 G HA3 0.118 4.077 3.960 -0.001 0.000 0.279 623 G C 0.615 175.533 174.900 0.030 0.000 1.374 623 G CA 0.430 45.535 45.100 0.010 0.000 1.053 623 G HN 0.746 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 0.415 4.884 4.470 -0.001 0.000 0.239 624 S C 0.647 175.271 174.600 0.040 0.000 1.236 624 S CA 0.076 58.305 58.200 0.048 0.000 1.233 624 S CB -0.437 62.787 63.200 0.041 0.000 0.908 624 S HN 0.872 nan 8.310 nan 0.000 0.493 625 S N 0.895 116.620 115.700 0.042 0.000 2.686 625 S HA 0.363 4.833 4.470 -0.001 0.000 0.270 625 S C 1.083 175.740 174.600 0.096 0.000 1.194 625 S CA -0.770 57.459 58.200 0.048 0.000 0.990 625 S CB 0.475 63.689 63.200 0.024 0.000 1.029 625 S HN 0.368 nan 8.310 nan 0.000 0.560 626 N N 0.986 119.744 118.700 0.096 0.000 2.028 626 N HA -0.090 4.649 4.740 -0.001 0.000 0.194 626 N C 1.907 177.477 175.510 0.100 0.000 1.050 626 N CA 1.738 54.884 53.050 0.161 0.000 0.848 626 N CB -1.158 37.357 38.487 0.046 0.000 1.038 626 N HN 0.828 nan 8.380 nan 0.000 0.423 627 G N 0.093 108.897 108.800 0.006 0.000 2.432 627 G HA2 -0.061 3.899 3.960 -0.001 0.000 0.219 627 G HA3 -0.061 3.899 3.960 -0.001 0.000 0.219 627 G C 0.758 175.658 174.900 -0.000 0.000 1.135 627 G CA 0.715 45.794 45.100 -0.036 0.000 0.767 627 G HN 0.552 nan 8.290 nan 0.000 0.550 628 G N 0.046 108.865 108.800 0.032 0.000 2.884 628 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.247 628 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.247 628 G C 0.971 175.881 174.900 0.016 0.000 0.585 628 G CA 0.013 45.130 45.100 0.027 0.000 1.101 628 G HN 0.320 nan 8.290 nan 0.000 0.283 629 L N 2.196 123.399 121.223 -0.034 0.000 2.261 629 L HA -0.086 4.253 4.340 -0.001 0.000 0.216 629 L C 2.431 179.267 176.870 -0.056 0.000 1.114 629 L CA 1.567 56.370 54.840 -0.061 0.000 0.777 629 L CB -0.339 41.657 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 3.937 4.170 -0.001 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 -0.007 0.000 1.092 630 I HN 0.255 nan 8.210 nan 0.000 0.423 631 H N 1.206 120.274 119.070 -0.004 0.000 2.319 631 H HA -0.134 4.422 4.556 -0.001 0.000 0.299 631 H C 2.260 177.589 175.328 0.002 0.000 1.092 631 H CA 1.836 57.887 56.048 0.004 0.000 1.302 631 H CB -0.107 29.655 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 3.933 4.120 -0.001 0.000 0.245 632 V C 2.868 178.999 176.094 0.062 0.000 1.045 632 V CA 1.444 63.787 62.300 0.071 0.000 1.024 632 V CB -0.551 31.284 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 -0.204 3.916 4.120 -0.001 0.000 0.256 633 V C 2.436 178.554 176.094 0.040 0.000 1.080 633 V CA 2.292 64.600 62.300 0.013 0.000 1.101 633 V CB -0.707 31.095 31.823 -0.036 0.000 0.698 633 V HN 0.643 nan 8.190 nan 0.000 0.477 634 T N -0.755 113.838 114.554 0.065 0.000 2.809 634 T HA -0.080 4.270 4.350 -0.001 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 -0.180 68.718 68.868 0.050 0.000 0.869 634 T HN 0.228 nan 8.240 nan 0.000 0.437 635 R N 0.890 121.454 120.500 0.107 0.000 2.096 635 R HA 0.017 4.356 4.340 -0.001 0.000 0.235 635 R C 2.291 178.646 176.300 0.091 0.000 1.127 635 R CA 1.243 57.412 56.100 0.115 0.000 0.968 635 R CB -0.305 30.081 30.300 0.142 0.000 0.861 635 R HN 0.407 nan 8.270 nan 0.000 0.440 636 E N 0.138 120.386 120.200 0.079 0.000 2.057 636 E HA -0.009 4.341 4.350 -0.001 0.000 0.190 636 E C 1.484 178.124 176.600 0.067 0.000 0.969 636 E CA 0.933 57.378 56.400 0.075 0.000 0.812 636 E CB 0.260 30.003 29.700 0.072 0.000 0.777 636 E HN -0.087 nan 8.360 nan 0.000 0.455 637 K N -0.558 119.873 120.400 0.052 0.000 2.356 637 K HA 0.292 4.611 4.320 -0.001 0.000 0.195 637 K C 0.218 176.846 176.600 0.047 0.000 1.037 637 K CA 0.754 57.068 56.287 0.045 0.000 1.014 637 K CB 1.119 33.636 32.500 0.029 0.000 0.815 637 K HN 0.217 nan 8.250 nan 0.000 0.507 638 G N 1.647 110.478 108.800 0.052 0.000 2.525 638 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.685 638 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.685 638 G C -2.382 172.548 174.900 0.050 0.000 1.285 638 G CA -0.510 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 1.942 65.067 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 -0.320 119.507 119.800 0.045 0.000 2.030 640 Q HA -0.109 4.231 4.340 -0.001 0.000 0.204 640 Q C 2.462 178.500 176.000 0.064 0.000 0.986 640 Q CA 1.576 57.410 55.803 0.051 0.000 0.843 640 Q CB -0.946 27.814 28.738 0.038 0.000 0.904 640 Q HN 0.084 nan 8.270 nan 0.000 0.420 641 V N 0.665 120.611 119.914 0.054 0.000 2.324 641 V HA -0.334 3.785 4.120 -0.001 0.000 0.250 641 V C 2.392 178.523 176.094 0.061 0.000 1.060 641 V CA 1.791 64.121 62.300 0.050 0.000 1.042 641 V CB -0.623 31.222 31.823 0.037 0.000 0.650 641 V HN 0.612 nan 8.190 nan 0.000 0.450 642 C N -0.011 119.334 119.300 0.075 0.000 2.446 642 C HA 0.091 4.550 4.460 -0.001 0.000 0.279 642 C C 2.986 178.118 174.990 0.237 0.000 1.366 642 C CA 0.367 59.445 59.018 0.099 0.000 1.763 642 C CB -1.283 26.521 27.740 0.106 0.000 1.929 642 C HN 0.583 nan 8.230 nan 0.000 0.509 643 A N 0.532 123.478 122.820 0.210 0.000 1.858 643 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 643 A C 2.280 180.042 177.584 0.296 0.000 1.190 643 A CA 1.866 54.054 52.037 0.252 0.000 0.617 643 A CB -0.690 18.378 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 -0.173 4.147 4.320 -0.001 0.000 0.208 644 K C 1.883 178.552 176.600 0.115 0.000 1.048 644 K CA 1.410 57.774 56.287 0.128 0.000 0.928 644 K CB -0.423 32.125 32.500 0.079 0.000 0.713 644 K HN 0.369 nan 8.250 nan 0.000 0.442 645 L N 0.961 122.218 121.223 0.056 0.000 2.085 645 L HA -0.250 4.090 4.340 -0.001 0.000 0.218 645 L C 1.712 178.503 176.870 -0.132 0.000 1.080 645 L CA 1.805 56.595 54.840 -0.084 0.000 0.776 645 L CB -0.655 41.277 42.059 -0.211 0.000 0.891 645 L HN 0.089 nan 8.230 nan 0.000 0.437 646 F N -0.291 119.662 119.950 0.004 0.000 2.026 646 F HA -0.097 4.429 4.527 -0.001 0.000 0.296 646 F C 2.564 178.365 175.800 0.001 0.000 1.133 646 F CA 1.825 59.827 58.000 0.003 0.000 1.188 646 F CB -1.508 37.500 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 3.637 3.960 -0.001 0.000 0.218 647 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.218 647 G C 1.601 176.534 174.900 0.055 0.000 1.180 647 G CA 1.365 46.533 45.100 0.114 0.000 0.774 647 G HN 0.240 nan 8.290 nan 0.000 0.562 648 N N 0.945 119.673 118.700 0.046 0.000 2.005 648 N HA -0.132 4.608 4.740 -0.001 0.000 0.199 648 N C 2.272 177.771 175.510 -0.019 0.000 1.054 648 N CA 1.407 54.468 53.050 0.018 0.000 0.864 648 N CB -0.708 37.788 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 3.791 4.170 -0.001 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 -0.442 37.490 38.000 -0.113 0.000 1.036 649 I HN 0.308 nan 8.210 nan 0.000 0.417 650 Q N 0.724 120.508 119.800 -0.026 0.000 1.942 650 Q HA -0.231 4.109 4.340 -0.001 0.000 0.203 650 Q C 2.297 178.240 176.000 -0.095 0.000 0.987 650 Q CA 1.559 57.344 55.803 -0.030 0.000 0.844 650 Q CB -0.221 28.525 28.738 0.013 0.000 0.911 650 Q HN 0.409 nan 8.270 nan 0.000 0.423 651 K N 0.062 120.392 120.400 -0.117 0.000 2.077 651 K HA -0.229 4.091 4.320 -0.001 0.000 0.213 651 K C 2.111 178.512 176.600 -0.331 0.000 1.051 651 K CA 1.943 58.063 56.287 -0.279 0.000 0.929 651 K CB -0.317 32.097 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 3.886 4.120 -0.001 0.000 0.243 652 V C 2.285 178.386 176.094 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 0.811 120.718 119.914 -0.012 0.000 2.332 653 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 653 V C 2.405 178.542 176.094 0.071 0.000 1.055 653 V CA 2.233 64.550 62.300 0.028 0.000 1.038 653 V CB -1.014 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 -0.235 118.448 118.700 -0.028 0.000 2.043 654 N HA -0.191 4.549 4.740 -0.001 0.000 0.193 654 N C 1.771 177.217 175.510 -0.106 0.000 1.037 654 N CA 1.919 54.925 53.050 -0.072 0.000 0.851 654 N CB -0.494 37.910 38.487 -0.139 0.000 1.027 654 N HN 0.534 nan 8.380 nan 0.000 0.422 655 F N 0.522 120.275 119.950 -0.329 0.000 2.046 655 F HA -0.228 4.299 4.527 -0.001 0.000 0.297 655 F C 2.432 178.142 175.800 -0.150 0.000 1.123 655 F CA 1.710 59.491 58.000 -0.365 0.000 1.199 655 F CB -0.769 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 0.708 121.994 121.300 -0.024 0.000 2.305 656 W HA -0.292 4.368 4.660 -0.001 0.000 0.308 656 W C 2.123 178.559 176.519 -0.139 0.000 1.226 656 W CA 2.191 59.512 57.345 -0.039 0.000 1.253 656 W CB -0.555 28.919 29.460 0.023 0.000 1.146 656 W HN 0.228 nan 8.180 nan 0.000 0.507 657 L N 0.472 121.768 121.223 0.122 0.000 2.109 657 L HA -0.053 4.286 4.340 -0.001 0.000 0.207 657 L C 2.306 179.015 176.870 -0.268 0.000 1.086 657 L CA 1.833 56.667 54.840 -0.011 0.000 0.760 657 L CB -1.442 40.699 42.059 0.137 0.000 0.910 657 L HN 0.165 nan 8.230 nan 0.000 0.437 658 L N -0.902 120.094 121.223 -0.378 0.000 2.189 658 L HA -0.222 4.118 4.340 -0.001 0.000 0.214 658 L C 1.886 178.390 176.870 -0.609 0.000 1.097 658 L CA 1.889 56.426 54.840 -0.505 0.000 0.764 658 L CB -0.756 40.893 42.059 -0.684 0.000 0.900 658 L HN 0.422 nan 8.230 nan 0.000 0.436 659 H N -2.308 116.452 119.070 -0.517 0.000 2.705 659 H HA 0.200 4.756 4.556 -0.001 0.000 0.269 659 H C 1.464 176.480 175.328 -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 29.545 29.762 -0.609 0.000 1.485 659 H HN 0.480 nan 8.280 nan 0.000 0.521 660 N N 0.335 118.713 118.700 -0.537 0.000 2.432 660 N HA 0.098 4.838 4.740 -0.001 0.000 0.174 660 N C 0.505 175.892 175.510 -0.206 0.000 1.037 660 N CA 0.887 53.620 53.050 -0.527 0.000 0.892 660 N CB 0.989 38.891 38.487 -0.974 0.000 1.049 660 N HN 0.321 nan 8.380 nan 0.000 0.442 661 G N -0.430 108.286 108.800 -0.140 0.000 2.787 661 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.685 661 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.685 661 G C -1.008 173.981 174.900 0.147 0.000 1.437 661 G CA -0.127 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 0.613 120.543 119.950 -0.034 0.000 2.690 662 F HA 0.720 5.247 4.527 -0.001 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 2.726 117.817 115.700 -1.016 0.000 2.757 663 S HA 0.921 5.390 4.470 -0.001 0.000 0.285 663 S C -1.695 172.479 174.600 -0.710 0.000 1.196 663 S CA -0.103 57.697 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 0.197 114.538 114.554 -0.353 0.000 2.957 664 T HA 0.731 5.081 4.350 -0.001 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 0.234 108.982 108.800 -0.087 0.000 2.721 665 G HA2 0.581 4.541 3.960 -0.001 0.000 0.296 665 G HA3 0.581 4.541 3.960 -0.001 0.000 0.296 665 G C 0.656 175.534 174.900 -0.036 0.000 1.383 665 G CA -0.822 44.243 45.100 -0.058 0.000 0.788 665 G HN 0.693 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 4.129 4.170 -0.001 0.000 0.243 666 I C 3.001 179.112 176.117 -0.010 0.000 1.085 666 I CA 1.751 63.044 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 1.101 109.892 108.800 -0.014 0.000 2.663 667 G HA2 -0.355 3.605 3.960 -0.001 0.000 0.222 667 G HA3 -0.355 3.605 3.960 -0.001 0.000 0.222 667 G C 1.363 176.260 174.900 -0.004 0.000 1.146 667 G CA 1.666 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 -0.051 120.343 120.400 -0.011 0.000 2.403 668 D HA -0.062 4.577 4.640 -0.001 0.000 0.227 668 D C 2.396 178.701 176.300 0.009 0.000 0.995 668 D CA 1.510 55.510 54.000 -0.001 0.000 0.928 668 D CB -0.050 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 -2.624 111.935 114.554 0.008 0.000 3.044 669 T HA 0.249 4.599 4.350 -0.001 0.000 0.260 669 T C 0.830 175.538 174.700 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 69.123 68.868 0.017 0.000 1.053 669 T HN -0.102 nan 8.240 nan 0.000 0.533 670 I N 2.519 123.097 120.570 0.012 0.000 2.395 670 I HA 0.599 4.769 4.170 -0.001 0.000 0.289 670 I C 0.508 176.634 176.117 0.016 0.000 1.023 670 I CA -0.870 60.438 61.300 0.013 0.000 1.350 670 I CB 1.207 39.213 38.000 0.010 0.000 1.409 670 I HN 0.223 nan 8.210 nan 0.000 0.507 671 A N 4.625 127.455 122.820 0.016 0.000 2.325 671 A HA 0.342 4.661 4.320 -0.001 0.000 0.333 671 A C -0.370 177.226 177.584 0.019 0.000 1.155 671 A CA -0.651 51.398 52.037 0.020 0.000 0.814 671 A CB 0.714 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 1.499 121.912 120.400 0.021 0.000 2.730 672 D HA 0.003 4.643 4.640 -0.001 0.000 0.225 672 D C 1.659 177.970 176.300 0.018 0.000 1.107 672 D CA 1.458 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 5.001 113.810 108.800 0.016 0.000 2.529 673 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.219 673 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.219 673 G C -0.651 174.259 174.900 0.016 0.000 1.177 673 G CA 0.829 45.938 45.100 0.015 0.000 0.773 673 G HN 0.577 nan 8.290 nan 0.000 0.573 674 P HA -0.035 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 1.437 64.547 63.100 0.017 0.000 0.787 674 P CB -0.135 31.574 31.700 0.016 0.000 0.788 675 T N 0.455 115.021 114.554 0.021 0.000 2.668 675 T HA -0.075 4.274 4.350 -0.001 0.000 0.262 675 T C 1.973 176.688 174.700 0.024 0.000 1.045 675 T CA 1.325 63.440 62.100 0.025 0.000 1.152 675 T CB -0.602 68.283 68.868 0.028 0.000 0.864 675 T HN -0.040 nan 8.240 nan 0.000 0.419 676 M N 0.984 120.597 119.600 0.021 0.000 2.260 676 M HA -0.086 4.393 4.480 -0.001 0.000 0.261 676 M C 2.208 178.521 176.300 0.021 0.000 1.066 676 M CA 1.322 56.634 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 0.308 120.820 120.500 0.020 0.000 2.061 677 R HA -0.164 4.175 4.340 -0.001 0.000 0.230 677 R C 2.135 178.448 176.300 0.022 0.000 1.140 677 R CA 1.861 57.973 56.100 0.020 0.000 0.940 677 R CB -0.277 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 0.113 120.327 120.200 0.023 0.000 2.160 678 E HA -0.202 4.147 4.350 -0.001 0.000 0.195 678 E C 1.868 178.486 176.600 0.029 0.000 0.991 678 E CA 1.391 57.805 56.400 0.024 0.000 0.810 678 E CB -0.016 29.699 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 3.954 4.170 -0.001 0.000 0.238 679 I C 2.456 178.597 176.117 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 0.952 115.527 114.554 0.035 0.000 2.721 680 T HA -0.254 4.095 4.350 -0.001 0.000 0.268 680 T C 1.627 176.352 174.700 0.041 0.000 1.038 680 T CA 2.095 64.219 62.100 0.039 0.000 1.145 680 T CB -0.439 68.448 68.868 0.031 0.000 0.858 680 T HN 0.608 nan 8.240 nan 0.000 0.459 681 E N 0.043 120.262 120.200 0.032 0.000 2.230 681 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 681 E C 2.076 178.690 176.600 0.023 0.000 0.987 681 E CA 0.975 57.390 56.400 0.025 0.000 0.841 681 E CB -0.523 29.188 29.700 0.017 0.000 0.783 681 E HN 0.208 nan 8.360 nan 0.000 0.481 682 T N 1.428 116.000 114.554 0.030 0.000 2.699 682 T HA -0.119 4.231 4.350 -0.001 0.000 0.268 682 T C 1.769 176.488 174.700 0.032 0.000 1.036 682 T CA 1.424 63.542 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 0.851 121.456 120.570 0.058 0.000 2.233 683 I HA -0.115 4.055 4.170 -0.001 0.000 0.243 683 I C 2.908 179.046 176.117 0.035 0.000 1.093 683 I CA 0.919 62.268 61.300 0.082 0.000 1.380 683 I CB -0.574 37.520 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 -0.300 4.020 4.320 -0.001 0.000 0.222 684 A C 2.147 179.719 177.584 -0.019 0.000 1.175 684 A CA 2.511 54.558 52.037 0.016 0.000 0.651 684 A CB -0.834 18.177 19.000 0.018 0.000 0.815 684 A HN 0.723 nan 8.150 nan 0.000 0.459 685 E N -0.689 119.490 120.200 -0.035 0.000 2.122 685 E HA 0.200 4.550 4.350 -0.001 0.000 0.190 685 E C 2.084 178.604 176.600 -0.133 0.000 0.977 685 E CA 0.689 57.045 56.400 -0.074 0.000 0.820 685 E CB -0.486 29.174 29.700 -0.067 0.000 0.770 685 E HN 0.465 nan 8.360 nan 0.000 0.462 686 A N 2.360 125.106 122.820 -0.124 0.000 1.883 686 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 686 A C 2.180 179.638 177.584 -0.211 0.000 1.186 686 A CA 1.831 53.752 52.037 -0.193 0.000 0.624 686 A CB -0.478 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 4.150 4.320 -0.001 0.000 0.208 687 K C 2.096 178.643 176.600 -0.089 0.000 1.048 687 K CA 1.776 57.999 56.287 -0.108 0.000 0.928 687 K CB -0.205 32.272 32.500 -0.037 0.000 0.713 687 K HN 0.460 nan 8.250 nan 0.000 0.442 688 K N 0.882 121.227 120.400 -0.091 0.000 2.097 688 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 688 K C 2.041 178.565 176.600 -0.126 0.000 1.049 688 K CA 1.250 57.489 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 0.099 nan 8.250 nan 0.000 0.442 689 K N 0.532 120.782 120.400 -0.250 0.000 2.002 689 K HA -0.118 4.201 4.320 -0.001 0.000 0.209 689 K C 2.105 178.557 176.600 -0.246 0.000 1.048 689 K CA 1.431 57.462 56.287 -0.428 0.000 0.930 689 K CB -0.273 31.626 32.500 -1.001 0.000 0.714 689 K HN -0.076 nan 8.250 nan 0.000 0.438 690 V N 2.054 121.874 119.914 -0.157 0.000 2.282 690 V HA -0.271 3.848 4.120 -0.001 0.000 0.249 690 V C 2.288 178.435 176.094 0.088 0.000 1.057 690 V CA 1.704 64.041 62.300 0.063 0.000 1.032 690 V CB -0.534 31.298 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 4.159 4.340 -0.001 0.000 0.210 691 L C 1.977 178.891 176.870 0.073 0.000 1.073 691 L CA 2.169 57.048 54.840 0.066 0.000 0.748 691 L CB -1.119 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 4.531 4.640 -0.001 0.000 0.208 692 D C 2.254 178.610 176.300 0.092 0.000 0.966 692 D CA 1.237 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 0.301 nan 8.370 nan 0.000 0.499 693 V N 0.361 120.363 119.914 0.146 0.000 2.273 693 V HA -0.190 3.929 4.120 -0.001 0.000 0.242 693 V C 2.442 178.696 176.094 0.267 0.000 1.035 693 V CA 1.717 64.145 62.300 0.214 0.000 1.013 693 V CB -0.944 31.029 31.823 0.250 0.000 0.652 693 V HN 0.169 nan 8.190 nan 0.000 0.452 694 T N 0.159 114.922 114.554 0.348 0.000 2.620 694 T HA -0.331 4.019 4.350 -0.001 0.000 0.267 694 T C 1.927 176.700 174.700 0.121 0.000 1.044 694 T CA 2.206 64.508 62.100 0.337 0.000 1.161 694 T CB -0.344 68.694 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 4.193 4.320 -0.001 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 -0.248 4.101 4.350 -0.001 0.000 0.197 696 E C 2.016 178.644 176.600 0.046 0.000 1.007 696 E CA 1.332 57.768 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 4.014 4.320 -0.001 0.000 0.220 697 A C 2.060 179.610 177.584 -0.057 0.000 1.185 697 A CA 2.153 54.196 52.037 0.010 0.000 0.639 697 A CB -0.808 18.189 19.000 -0.005 0.000 0.820 697 A HN 0.457 nan 8.150 nan 0.000 0.451 698 Q N -0.966 118.794 119.800 -0.066 0.000 2.437 698 Q HA 0.087 4.427 4.340 -0.001 0.000 0.210 698 Q C 1.861 177.841 176.000 -0.034 0.000 0.972 698 Q CA 0.815 56.576 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 0.895 123.707 122.820 -0.014 0.000 2.275 699 A HA 0.022 4.342 4.320 -0.001 0.000 0.212 699 A C 0.742 178.323 177.584 -0.005 0.000 1.201 699 A CA 0.344 52.379 52.037 -0.004 0.000 0.843 699 A CB 0.015 19.019 19.000 0.007 0.000 0.873 699 A HN 0.436 nan 8.150 nan 0.000 0.492 700 N N -1.841 116.852 118.700 -0.012 0.000 2.828 700 N HA -0.172 4.568 4.740 -0.001 0.000 0.248 700 N C 0.550 176.061 175.510 0.002 0.000 1.044 700 N CA 1.240 54.283 53.050 -0.010 0.000 0.851 700 N CB -1.932 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 -0.219 121.010 121.223 0.009 0.000 2.179 701 L HA 0.075 4.414 4.340 -0.001 0.000 0.208 701 L C 1.297 178.180 176.870 0.022 0.000 1.096 701 L CA 0.310 55.160 54.840 0.016 0.000 0.779 701 L CB -0.222 41.849 42.059 0.021 0.000 0.922 701 L HN 0.220 nan 8.230 nan 0.000 0.443 702 L N 0.790 122.030 121.223 0.028 0.000 2.605 702 L HA -0.090 4.250 4.340 -0.001 0.000 0.296 702 L C 0.048 176.934 176.870 0.027 0.000 1.255 702 L CA 0.552 55.414 54.840 0.036 0.000 0.879 702 L CB 0.147 42.235 42.059 0.049 0.000 1.124 702 L HN 0.150 nan 8.230 nan 0.000 0.507 703 T N 3.177 117.749 114.554 0.030 0.000 2.770 703 T HA 0.463 4.813 4.350 -0.001 0.000 0.297 703 T C 0.199 174.916 174.700 0.028 0.000 0.997 703 T CA -0.598 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 0.678 nan 8.240 nan 0.000 0.457 704 A N 4.506 127.342 122.820 0.027 0.000 2.454 704 A HA 0.361 4.681 4.320 -0.001 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 1.264 121.686 120.400 0.038 0.000 2.187 705 K HA 0.142 4.461 4.320 -0.001 0.000 0.247 705 K C 0.069 176.722 176.600 0.088 0.000 1.019 705 K CA -0.248 56.075 56.287 0.060 0.000 0.893 705 K CB 0.223 32.751 32.500 0.045 0.000 1.025 705 K HN 0.813 nan 8.250 nan 0.000 0.500 706 H N -0.543 118.530 119.070 0.005 0.000 2.790 706 H HA 0.151 4.707 4.556 -0.001 0.000 0.358 706 H C 1.226 176.558 175.328 0.006 0.000 1.103 706 H CA 1.607 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 3.089 111.583 108.800 -0.512 0.000 2.189 707 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.267 707 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.267 707 G C 0.112 174.931 174.900 -0.134 0.000 0.975 707 G CA 0.669 45.578 45.100 -0.318 0.000 0.644 707 G HN 0.599 nan 8.290 nan 0.000 0.537 708 M N 0.876 120.425 119.600 -0.085 0.000 2.535 708 M HA 0.424 4.904 4.480 -0.001 0.000 0.314 708 M C 0.186 176.467 176.300 -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 34.741 32.600 -0.019 0.000 1.710 708 M HN 0.052 nan 8.290 nan 0.000 0.451 709 T N 2.159 116.700 114.554 -0.021 0.000 2.919 709 T HA 0.139 4.488 4.350 -0.001 0.000 0.302 709 T C 1.311 176.011 174.700 -0.001 0.000 1.031 709 T CA -0.530 61.562 62.100 -0.014 0.000 1.127 709 T CB 0.532 69.394 68.868 -0.011 0.000 0.952 709 T HN 0.429 nan 8.240 nan 0.000 0.540 710 L N 1.725 122.947 121.223 -0.001 0.000 2.189 710 L HA -0.070 4.270 4.340 -0.001 0.000 0.214 710 L C 2.610 179.498 176.870 0.030 0.000 1.097 710 L CA 1.587 56.434 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 0.563 nan 8.230 nan 0.000 0.436 711 R N -0.317 120.186 120.500 0.004 0.000 2.062 711 R HA -0.086 4.254 4.340 -0.001 0.000 0.229 711 R C 2.258 178.599 176.300 0.069 0.000 1.128 711 R CA 1.007 57.110 56.100 0.005 0.000 0.960 711 R CB -0.021 30.258 30.300 -0.036 0.000 0.855 711 R HN 0.416 nan 8.270 nan 0.000 0.432 712 E N -0.070 120.149 120.200 0.032 0.000 2.031 712 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 712 E C 1.972 178.582 176.600 0.015 0.000 0.994 712 E CA 1.757 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 0.418 nan 8.360 nan 0.000 0.447 713 S N 1.348 117.058 115.700 0.016 0.000 2.374 713 S HA -0.244 4.226 4.470 -0.001 0.000 0.227 713 S C 1.924 176.511 174.600 -0.022 0.000 1.037 713 S CA 1.218 59.413 58.200 -0.009 0.000 1.024 713 S CB -0.813 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 4.360 4.527 -0.001 0.000 0.297 714 F C 2.560 178.298 175.800 -0.104 0.000 1.132 714 F CA 2.212 60.156 58.000 -0.095 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 0.466 120.609 120.200 -0.095 0.000 2.048 715 E HA -0.331 4.019 4.350 -0.001 0.000 0.202 715 E C 2.015 178.456 176.600 -0.265 0.000 1.021 715 E CA 2.044 58.338 56.400 -0.177 0.000 0.825 715 E CB -1.019 28.689 29.700 0.013 0.000 0.756 715 E HN 0.576 nan 8.360 nan 0.000 0.454 716 D N 0.127 120.419 120.400 -0.181 0.000 2.149 716 D HA -0.175 4.464 4.640 -0.001 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 -0.292 118.155 118.700 -0.422 0.000 2.006 717 N HA -0.148 4.592 4.740 -0.001 0.000 0.196 717 N C 2.093 177.136 175.510 -0.778 0.000 1.057 717 N CA 1.423 54.064 53.050 -0.681 0.000 0.853 717 N CB -0.808 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 1.525 121.071 119.914 -0.613 0.000 2.313 718 V HA -0.241 3.879 4.120 -0.001 0.000 0.253 718 V C 2.517 178.484 176.094 -0.212 0.000 1.070 718 V CA 1.577 63.683 62.300 -0.325 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 -0.515 119.264 119.914 -0.226 0.000 2.407 719 V HA -0.267 3.853 4.120 -0.001 0.000 0.248 719 V C 2.523 178.557 176.094 -0.099 0.000 1.055 719 V CA 2.330 64.555 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 0.446 nan 8.190 nan 0.000 0.455 720 R N -0.625 119.769 120.500 -0.177 0.000 2.062 720 R HA -0.081 4.259 4.340 -0.001 0.000 0.231 720 R C 2.392 178.680 176.300 -0.020 0.000 1.136 720 R CA 1.697 57.716 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 0.808 120.695 119.950 -0.104 0.000 2.091 721 F HA -0.304 4.222 4.527 -0.001 0.000 0.299 721 F C 2.254 177.979 175.800 -0.125 0.000 1.103 721 F CA 0.795 58.728 58.000 -0.112 0.000 1.228 721 F CB -0.117 38.793 39.000 -0.150 0.000 0.984 721 F HN 0.088 nan 8.300 nan 0.000 0.477 722 L N -0.558 120.686 121.223 0.035 0.000 2.109 722 L HA -0.197 4.143 4.340 -0.001 0.000 0.207 722 L C 2.159 179.078 176.870 0.081 0.000 1.086 722 L CA 0.698 55.478 54.840 -0.101 0.000 0.760 722 L CB -0.695 41.198 42.059 -0.276 0.000 0.910 722 L HN 0.169 nan 8.230 nan 0.000 0.437 723 N N 0.444 119.194 118.700 0.082 0.000 2.058 723 N HA -0.197 4.543 4.740 -0.001 0.000 0.191 723 N C 1.711 177.292 175.510 0.118 0.000 1.037 723 N CA 1.381 54.495 53.050 0.108 0.000 0.848 723 N CB -0.178 38.349 38.487 0.066 0.000 1.021 723 N HN 0.378 nan 8.380 nan 0.000 0.422 724 E N 1.028 121.287 120.200 0.099 0.000 2.065 724 E HA -0.211 4.139 4.350 -0.001 0.000 0.201 724 E C 2.020 178.686 176.600 0.110 0.000 1.016 724 E CA 1.393 57.852 56.400 0.098 0.000 0.818 724 E CB -0.185 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 3.992 4.320 -0.001 0.000 0.218 725 A C 2.132 179.812 177.584 0.160 0.000 1.203 725 A CA 2.171 54.275 52.037 0.113 0.000 0.638 725 A CB -0.776 18.280 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 4.112 4.340 -0.001 0.000 0.239 726 R C 1.645 178.048 176.300 0.171 0.000 1.137 726 R CA 2.262 58.465 56.100 0.172 0.000 0.943 726 R CB -0.588 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 -0.176 4.464 4.640 -0.001 0.000 0.198 727 D C 1.868 178.346 176.300 0.295 0.000 0.990 727 D CA 1.828 56.020 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 0.361 120.865 120.400 0.173 0.000 2.076 728 K HA 0.162 4.481 4.320 -0.001 0.000 0.204 728 K C 2.195 178.881 176.600 0.142 0.000 1.051 728 K CA 1.047 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 2.118 125.015 122.820 0.128 0.000 1.908 729 A HA -0.065 4.254 4.320 -0.001 0.000 0.218 729 A C 2.515 180.166 177.584 0.112 0.000 1.181 729 A CA 1.888 53.984 52.037 0.098 0.000 0.627 729 A CB -1.447 17.599 19.000 0.078 0.000 0.818 729 A HN 0.529 nan 8.150 nan 0.000 0.445 730 G N -0.520 108.374 108.800 0.157 0.000 2.453 730 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.215 730 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.215 730 G C 1.751 176.887 174.900 0.395 0.000 1.201 730 G CA 0.979 46.160 45.100 0.134 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 0.004 4.344 4.340 -0.001 0.000 0.240 731 R C 2.691 179.110 176.300 0.198 0.000 1.139 731 R CA 1.177 57.478 56.100 0.335 0.000 0.952 731 R CB -0.652 29.693 30.300 0.075 0.000 0.854 731 R HN 0.303 nan 8.270 nan 0.000 0.436 732 L N 0.120 121.429 121.223 0.144 0.000 2.051 732 L HA -0.305 4.034 4.340 -0.001 0.000 0.214 732 L C 2.624 179.548 176.870 0.089 0.000 1.076 732 L CA 1.623 56.519 54.840 0.093 0.000 0.758 732 L CB -0.611 41.493 42.059 0.075 0.000 0.890 732 L HN 0.357 nan 8.230 nan 0.000 0.433 733 A N -0.349 122.530 122.820 0.099 0.000 1.872 733 A HA -0.254 4.066 4.320 -0.001 0.000 0.214 733 A C 2.196 179.833 177.584 0.088 0.000 1.187 733 A CA 1.573 53.653 52.037 0.072 0.000 0.614 733 A CB -0.554 18.470 19.000 0.039 0.000 0.826 733 A HN 0.499 nan 8.150 nan 0.000 0.442 734 E N 0.014 120.301 120.200 0.144 0.000 2.171 734 E HA -0.170 4.180 4.350 -0.001 0.000 0.197 734 E C 1.633 178.296 176.600 0.104 0.000 0.997 734 E CA 1.597 58.089 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 1.499 121.466 119.914 0.088 0.000 2.453 735 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 735 V C 2.159 178.284 176.094 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 0.679 119.410 118.700 0.051 0.000 2.006 736 N HA -0.092 4.647 4.740 -0.001 0.000 0.196 736 N C 0.842 176.378 175.510 0.044 0.000 1.057 736 N CA 0.802 53.877 53.050 0.042 0.000 0.853 736 N CB -0.630 37.880 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 4.139 4.340 -0.001 0.000 0.327 737 L C 0.388 177.287 176.870 0.049 0.000 1.030 737 L CA 0.553 55.423 54.840 0.050 0.000 0.897 737 L CB -0.699 41.395 42.059 0.059 0.000 1.389 737 L HN 0.134 nan 8.230 nan 0.000 0.530 738 K N 2.736 123.163 120.400 0.046 0.000 2.202 738 K HA 0.086 4.405 4.320 -0.001 0.000 0.264 738 K C 0.645 177.277 176.600 0.053 0.000 1.010 738 K CA -0.864 55.450 56.287 0.045 0.000 0.940 738 K CB 0.778 33.303 32.500 0.041 0.000 0.983 738 K HN 0.342 nan 8.250 nan 0.000 0.475 739 D N 1.289 121.720 120.400 0.051 0.000 2.315 739 D HA -0.156 4.484 4.640 -0.001 0.000 0.211 739 D C 1.436 177.779 176.300 0.071 0.000 0.977 739 D CA 1.182 55.215 54.000 0.056 0.000 0.894 739 D CB -0.179 40.649 40.800 0.047 0.000 0.910 739 D HN 0.462 nan 8.370 nan 0.000 0.490 740 L N -1.263 120.002 121.223 0.070 0.000 2.492 740 L HA 0.132 4.472 4.340 -0.001 0.000 0.223 740 L C 0.761 177.685 176.870 0.090 0.000 1.132 740 L CA 0.036 54.925 54.840 0.082 0.000 0.850 740 L CB -0.800 41.298 42.059 0.065 0.000 0.966 740 L HN -0.215 nan 8.230 nan 0.000 0.454 741 N N 1.709 120.455 118.700 0.078 0.000 2.427 741 N HA -0.039 4.701 4.740 -0.001 0.000 0.269 741 N C 0.928 176.505 175.510 0.111 0.000 1.235 741 N CA -0.108 52.986 53.050 0.072 0.000 0.934 741 N CB 0.341 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 2.945 121.709 118.700 0.107 0.000 2.094 742 N HA -0.185 4.554 4.740 -0.001 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 -0.239 38.188 38.487 -0.101 0.000 1.013 742 N HN 0.326 nan 8.380 nan 0.000 0.426 743 V N 1.906 121.888 119.914 0.114 0.000 2.220 743 V HA -0.236 3.883 4.120 -0.001 0.000 0.246 743 V C 2.579 178.742 176.094 0.114 0.000 1.049 743 V CA 1.659 64.022 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 0.329 nan 8.190 nan 0.000 0.444 744 K N -0.531 119.926 120.400 0.095 0.000 2.127 744 K HA -0.284 4.036 4.320 -0.001 0.000 0.208 744 K C 2.256 178.910 176.600 0.091 0.000 1.047 744 K CA 1.857 58.196 56.287 0.086 0.000 0.927 744 K CB -0.200 32.347 32.500 0.078 0.000 0.716 744 K HN 0.470 nan 8.250 nan 0.000 0.450 745 Q N -0.378 119.498 119.800 0.125 0.000 2.234 745 Q HA -0.160 4.179 4.340 -0.001 0.000 0.206 745 Q C 1.978 178.015 176.000 0.062 0.000 0.980 745 Q CA 1.559 57.435 55.803 0.123 0.000 0.869 745 Q CB 0.026 28.915 28.738 0.252 0.000 0.912 745 Q HN 0.492 nan 8.270 nan 0.000 0.436 746 M N -1.087 118.578 119.600 0.109 0.000 2.357 746 M HA -0.087 4.393 4.480 -0.001 0.000 0.266 746 M C 2.148 178.468 176.300 0.033 0.000 1.095 746 M CA 0.484 55.815 55.300 0.052 0.000 1.156 746 M CB 0.209 32.888 32.600 0.131 0.000 1.365 746 M HN -0.056 nan 8.290 nan 0.000 0.447 747 V N 0.619 120.567 119.914 0.056 0.000 2.392 747 V HA -0.301 3.819 4.120 -0.001 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 -0.622 31.241 31.823 0.067 0.000 0.658 747 V HN 0.519 nan 8.190 nan 0.000 0.455 748 M N -0.643 118.972 119.600 0.025 0.000 2.254 748 M HA -0.083 4.396 4.480 -0.001 0.000 0.265 748 M C 2.275 178.566 176.300 -0.014 0.000 1.066 748 M CA 1.748 57.053 55.300 0.008 0.000 1.123 748 M CB -0.342 32.263 32.600 0.008 0.000 1.388 748 M HN 0.429 nan 8.290 nan 0.000 0.425 749 A N -0.161 122.641 122.820 -0.030 0.000 1.897 749 A HA 0.192 4.512 4.320 -0.001 0.000 0.215 749 A C 1.501 179.067 177.584 -0.030 0.000 1.181 749 A CA 1.357 53.363 52.037 -0.051 0.000 0.620 749 A CB -0.773 18.175 19.000 -0.085 0.000 0.821 749 A HN 0.607 nan 8.150 nan 0.000 0.443 750 G N -0.767 108.026 108.800 -0.013 0.000 2.600 750 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.251 750 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.251 750 G C 0.379 175.279 174.900 -0.001 0.000 1.142 750 G CA 0.816 45.916 45.100 0.000 0.000 0.994 750 G HN 1.515 nan 8.290 nan 0.000 0.511 751 S N -1.584 114.116 115.700 0.001 0.000 2.666 751 S HA 0.646 5.115 4.470 -0.001 0.000 0.239 751 S C 0.399 175.015 174.600 0.025 0.000 1.031 751 S CA 0.564 58.767 58.200 0.005 0.000 1.015 751 S CB 0.954 64.143 63.200 -0.018 0.000 0.981 751 S HN 0.696 nan 8.310 nan 0.000 0.547 752 K N -0.047 120.372 120.400 0.031 0.000 3.042 752 K HA 0.413 4.733 4.320 -0.001 0.000 0.351 752 K C -0.386 176.240 176.600 0.045 0.000 1.227 752 K CA 0.591 56.901 56.287 0.039 0.000 0.969 752 K CB 0.589 33.119 32.500 0.050 0.000 1.306 752 K HN 0.964 nan 8.250 nan 0.000 0.407 753 G N 1.015 109.840 108.800 0.040 0.000 2.663 753 G HA2 0.121 4.081 3.960 -0.001 0.000 0.686 753 G HA3 0.121 4.081 3.960 -0.001 0.000 0.686 753 G C -1.006 173.925 174.900 0.051 0.000 1.246 753 G CA -0.142 44.984 45.100 0.044 0.000 0.795 753 G HN 1.422 nan 8.290 nan 0.000 0.627 754 S N -0.062 115.673 115.700 0.059 0.000 2.611 754 S HA 0.673 5.143 4.470 -0.001 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 4.296 4.527 -0.001 0.000 0.296 755 F C 1.985 177.802 175.800 0.030 0.000 1.132 755 F CA 2.223 60.238 58.000 0.025 0.000 1.211 755 F CB -0.502 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 1.220 121.709 120.570 -0.135 0.000 2.130 756 I HA -0.468 3.701 4.170 -0.001 0.000 0.241 756 I C 2.253 178.240 176.117 -0.217 0.000 1.023 756 I CA 2.134 63.288 61.300 -0.242 0.000 1.293 756 I CB -1.442 36.547 38.000 -0.019 0.000 1.001 756 I HN 0.373 nan 8.210 nan 0.000 0.407 757 N N 0.768 119.415 118.700 -0.090 0.000 2.018 757 N HA -0.216 4.524 4.740 -0.001 0.000 0.196 757 N C 1.933 177.399 175.510 -0.075 0.000 1.043 757 N CA 1.782 54.807 53.050 -0.041 0.000 0.856 757 N CB -0.537 37.948 38.487 -0.004 0.000 1.042 757 N HN 0.414 nan 8.380 nan 0.000 0.423 758 I N 1.568 122.074 120.570 -0.106 0.000 2.069 758 I HA -0.315 3.854 4.170 -0.001 0.000 0.237 758 I C 2.492 178.499 176.117 -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 -0.421 0.000 1.971 759 A HA -0.318 4.001 4.320 -0.001 0.000 0.222 759 A C 2.236 179.668 177.584 -0.253 0.000 1.182 759 A CA 2.185 53.944 52.037 -0.463 0.000 0.649 759 A CB -0.694 17.732 19.000 -0.956 0.000 0.818 759 A HN 0.602 nan 8.150 nan 0.000 0.458 760 Q N -1.755 117.927 119.800 -0.196 0.000 2.165 760 Q HA 0.115 4.455 4.340 -0.001 0.000 0.197 760 Q C 2.251 178.228 176.000 -0.039 0.000 0.952 760 Q CA 0.978 56.695 55.803 -0.143 0.000 0.848 760 Q CB -0.130 28.565 28.738 -0.071 0.000 0.931 760 Q HN 0.695 nan 8.270 nan 0.000 0.470 761 M N -0.081 119.560 119.600 0.068 0.000 2.213 761 M HA -0.131 4.349 4.480 -0.001 0.000 0.263 761 M C 1.858 178.183 176.300 0.041 0.000 1.062 761 M CA 1.259 56.634 55.300 0.125 0.000 1.105 761 M CB 0.124 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 -0.430 115.263 115.700 -0.012 0.000 2.452 762 S HA 0.265 4.734 4.470 -0.001 0.000 0.225 762 S C 0.979 175.562 174.600 -0.029 0.000 1.057 762 S CA 0.384 58.576 58.200 -0.014 0.000 0.949 762 S CB 0.186 63.379 63.200 -0.011 0.000 0.836 762 S HN 0.456 nan 8.310 nan 0.000 0.518 763 A N 0.561 123.348 122.820 -0.055 0.000 3.687 763 A HA 0.565 4.884 4.320 -0.001 0.000 0.164 763 A C 0.356 177.884 177.584 -0.093 0.000 1.564 763 A CA -0.402 51.606 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 0.218 119.467 119.300 -0.085 0.000 2.596 764 C HA 0.324 4.783 4.460 -0.001 0.000 0.414 764 C C 1.881 176.729 174.990 -0.238 0.000 1.396 764 C CA 0.155 59.081 59.018 -0.155 0.000 1.698 764 C CB -1.268 26.417 27.740 -0.091 0.000 2.572 764 C HN 0.531 nan 8.230 nan 0.000 0.604 765 V N 6.544 126.240 119.914 -0.364 0.000 2.223 765 V HA 0.254 4.373 4.120 -0.001 0.000 0.244 765 V C 1.621 177.502 176.094 -0.356 0.000 1.045 765 V CA 2.413 64.437 62.300 -0.460 0.000 1.000 765 V CB -1.216 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 -1.082 107.468 108.800 -0.416 0.000 2.369 766 G HA2 0.196 4.156 3.960 -0.001 0.000 0.307 766 G HA3 0.196 4.156 3.960 -0.001 0.000 0.307 766 G C -1.304 173.470 174.900 -0.210 0.000 1.327 766 G CA -0.209 44.735 45.100 -0.260 0.000 0.963 766 G HN 0.335 nan 8.290 nan 0.000 0.590 767 Q N 0.151 120.003 119.800 0.087 0.000 2.307 767 Q HA 0.600 4.940 4.340 -0.001 0.000 0.259 767 Q C 0.343 176.381 176.000 0.064 0.000 0.998 767 Q CA -0.067 55.851 55.803 0.192 0.000 0.923 767 Q CB 1.012 29.913 28.738 0.273 0.000 1.196 767 Q HN 0.527 nan 8.270 nan 0.000 0.416 768 Q N 1.555 121.385 119.800 0.051 0.000 2.394 768 Q HA 0.517 4.857 4.340 -0.001 0.000 0.248 768 Q C -1.017 175.002 176.000 0.031 0.000 0.992 768 Q CA 0.285 56.116 55.803 0.048 0.000 0.888 768 Q CB 1.240 30.037 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 5.159 4.470 -0.001 0.000 0.271 769 S C -1.410 173.198 174.600 0.014 0.000 1.148 769 S CA -0.905 57.302 58.200 0.013 0.000 0.914 769 S CB 1.042 64.250 63.200 0.012 0.000 1.096 769 S HN 0.236 nan 8.310 nan 0.000 0.471 770 V N 2.721 122.637 119.914 0.003 0.000 2.444 770 V HA 0.567 4.687 4.120 -0.001 0.000 0.294 770 V C 0.185 176.280 176.094 0.001 0.000 1.022 770 V CA -0.390 61.914 62.300 0.005 0.000 0.850 770 V CB 0.897 32.726 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 4.098 4.350 -0.001 0.000 0.249 771 E C 1.230 177.830 176.600 0.000 0.000 1.124 771 E CA 0.563 56.964 56.400 0.002 0.000 0.732 771 E CB -1.095 28.606 29.700 0.002 0.000 1.286 771 E HN 1.506 nan 8.360 nan 0.000 0.394 772 G N -0.087 108.714 108.800 0.001 0.000 2.186 772 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.266 772 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.266 772 G C 0.200 175.096 174.900 -0.007 0.000 0.982 772 G CA 1.354 46.454 45.100 -0.001 0.000 0.670 772 G HN 0.307 nan 8.290 nan 0.000 0.533 773 K N -0.099 120.294 120.400 -0.012 0.000 2.340 773 K HA 0.500 4.819 4.320 -0.001 0.000 0.244 773 K C 0.582 177.163 176.600 -0.032 0.000 0.973 773 K CA -1.119 55.155 56.287 -0.022 0.000 0.828 773 K CB 1.504 33.988 32.500 -0.027 0.000 1.226 773 K HN 0.359 nan 8.250 nan 0.000 0.437 774 R N 1.546 122.021 120.500 -0.043 0.000 2.543 774 R HA 0.222 4.562 4.340 -0.001 0.000 0.277 774 R C 0.286 176.521 176.300 -0.108 0.000 1.074 774 R CA -0.521 55.544 56.100 -0.059 0.000 1.076 774 R CB -0.116 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 1.724 122.211 120.570 -0.138 0.000 3.248 775 I HA -0.294 3.875 4.170 -0.001 0.000 0.344 775 I C 1.060 177.068 176.117 -0.182 0.000 1.190 775 I CA 0.754 61.953 61.300 -0.168 0.000 1.489 775 I CB -0.169 37.627 38.000 -0.340 0.000 1.285 775 I HN 0.817 nan 8.210 nan 0.000 0.516 776 A N 7.833 130.595 122.820 -0.096 0.000 2.249 776 A HA 0.500 4.820 4.320 -0.001 0.000 0.281 776 A C -0.205 177.416 177.584 0.061 0.000 1.127 776 A CA -0.393 51.581 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 0.785 120.753 119.950 0.030 0.000 2.425 777 F HA 0.271 4.798 4.527 -0.001 0.000 0.354 777 F C 1.684 177.530 175.800 0.077 0.000 1.162 777 F CA -0.324 57.714 58.000 0.063 0.000 1.250 777 F CB 0.672 39.686 39.000 0.024 0.000 1.579 777 F HN 0.791 nan 8.300 nan 0.000 0.589 778 G N 2.601 111.571 108.800 0.282 0.000 2.422 778 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.218 778 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.218 778 G C 0.423 175.276 174.900 -0.077 0.000 1.140 778 G CA 0.390 45.534 45.100 0.073 0.000 0.775 778 G HN 0.291 nan 8.290 nan 0.000 0.545 779 F N -0.576 119.443 119.950 0.115 0.000 2.375 779 F HA 0.453 4.980 4.527 -0.001 0.000 0.317 779 F C 0.580 176.382 175.800 0.004 0.000 1.124 779 F CA -1.015 57.012 58.000 0.045 0.000 1.050 779 F CB 1.222 40.235 39.000 0.022 0.000 1.314 779 F HN -0.274 nan 8.300 nan 0.000 0.511 780 V N 2.323 122.334 119.914 0.162 0.000 2.425 780 V HA -0.001 4.119 4.120 -0.001 0.000 0.276 780 V C -0.150 175.885 176.094 -0.098 0.000 1.017 780 V CA 0.123 62.449 62.300 0.044 0.000 1.062 780 V CB -0.409 31.437 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 -0.201 0.000 3.070 781 D HA -0.203 4.437 4.640 -0.001 0.000 0.220 781 D C 0.576 176.033 176.300 -1.404 0.000 1.176 781 D CA 1.792 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 -2.776 117.146 120.500 -0.963 0.000 2.799 782 R HA 0.674 5.014 4.340 -0.001 0.000 0.270 782 R C 0.586 176.909 176.300 0.039 0.000 1.010 782 R CA -0.839 54.850 56.100 -0.686 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 0.236 114.998 114.554 0.348 0.000 2.894 783 T HA 0.231 4.581 4.350 -0.001 0.000 0.258 783 T C 0.477 175.529 174.700 0.587 0.000 1.043 783 T CA 0.757 63.202 62.100 0.574 0.000 1.141 783 T CB -0.127 69.082 68.868 0.568 0.000 0.873 783 T HN 0.306 nan 8.240 nan 0.000 0.449 784 L N -0.174 121.282 121.223 0.388 0.000 2.491 784 L HA 0.360 4.700 4.340 -0.001 0.000 0.254 784 L C -2.074 174.556 176.870 -0.401 0.000 1.048 784 L CA -2.138 52.672 54.840 -0.050 0.000 0.855 784 L CB 2.204 44.325 42.059 0.103 0.000 1.466 784 L HN -0.274 nan 8.230 nan 0.000 0.409 785 P HA -0.024 nan 4.420 nan 0.000 0.249 785 P C 0.442 177.388 177.300 -0.590 0.000 1.241 785 P CA 0.867 63.547 63.100 -0.700 0.000 0.781 785 P CB -0.006 31.226 31.700 -0.782 0.000 1.088 786 H N -1.767 117.049 119.070 -0.424 0.000 2.586 786 H HA 0.264 4.819 4.556 -0.001 0.000 0.273 786 H C 0.365 175.419 175.328 -0.456 0.000 0.997 786 H CA 0.027 55.799 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 0.198 nan 8.280 nan 0.000 0.538 787 F N 0.196 120.152 119.950 0.009 0.000 2.598 787 F HA 0.340 4.867 4.527 -0.001 0.000 0.327 787 F C 0.601 176.367 175.800 -0.056 0.000 1.057 787 F CA -1.139 56.865 58.000 0.008 0.000 0.957 787 F CB 1.803 40.831 39.000 0.046 0.000 1.278 787 F HN -0.217 nan 8.300 nan 0.000 0.484 788 S N 0.787 116.596 115.700 0.182 0.000 2.610 788 S HA 0.277 4.747 4.470 -0.001 0.000 0.273 788 S C -0.288 174.297 174.600 -0.026 0.000 1.274 788 S CA -0.878 57.350 58.200 0.047 0.000 1.023 788 S CB 0.890 64.116 63.200 0.044 0.000 0.962 788 S HN 0.371 nan 8.310 nan 0.000 0.523 789 K N 1.538 121.893 120.400 -0.075 0.000 2.455 789 K HA -0.025 4.295 4.320 -0.001 0.000 0.269 789 K C -0.580 175.932 176.600 -0.146 0.000 0.972 789 K CA 0.257 56.447 56.287 -0.163 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 2.079 122.338 120.400 -0.236 0.000 3.666 790 D HA -0.177 4.463 4.640 -0.001 0.000 0.220 790 D C -0.881 175.417 176.300 -0.004 0.000 1.105 790 D CA 1.200 55.166 54.000 -0.056 0.000 1.111 790 D CB -0.500 40.352 40.800 0.087 0.000 0.790 790 D HN 0.544 nan 8.370 nan 0.000 0.389 791 D N 1.552 121.908 120.400 -0.073 0.000 2.445 791 D HA 0.067 4.706 4.640 -0.001 0.000 0.236 791 D C -0.278 176.014 176.300 -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 0.759 121.140 120.300 0.135 0.000 2.471 792 Y HA 0.100 4.650 4.550 -0.001 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 -0.162 38.402 38.460 0.173 0.000 1.072 792 Y HN 0.220 nan 8.280 nan 0.000 0.517 793 S N 1.569 117.368 115.700 0.165 0.000 2.566 793 S HA -0.003 4.466 4.470 -0.001 0.000 0.280 793 S C -1.199 173.432 174.600 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 -0.197 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 1.769 64.900 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 0.560 120.873 120.200 0.189 0.000 2.065 795 E HA -0.188 4.161 4.350 -0.001 0.000 0.201 795 E C 2.403 179.133 176.600 0.218 0.000 1.016 795 E CA 1.864 58.426 56.400 0.270 0.000 0.818 795 E CB -1.411 28.447 29.700 0.263 0.000 0.749 795 E HN 0.246 nan 8.360 nan 0.000 0.453 796 S N 0.035 115.625 115.700 -0.184 0.000 2.383 796 S HA -0.167 4.303 4.470 -0.001 0.000 0.229 796 S C 1.337 175.771 174.600 -0.276 0.000 1.030 796 S CA 1.232 59.015 58.200 -0.695 0.000 1.002 796 S CB -0.039 62.684 63.200 -0.795 0.000 0.829 796 S HN 0.120 nan 8.310 nan 0.000 0.467 797 K N 0.052 120.341 120.400 -0.186 0.000 2.570 797 K HA 0.302 4.622 4.320 -0.001 0.000 0.210 797 K C 0.652 177.042 176.600 -0.350 0.000 1.048 797 K CA 0.410 56.532 56.287 -0.275 0.000 1.167 797 K CB 0.380 32.777 32.500 -0.172 0.000 0.892 797 K HN 0.486 nan 8.250 nan 0.000 0.480 798 G N 1.527 110.088 108.800 -0.398 0.000 2.138 798 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.193 798 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.193 798 G C -0.466 174.538 174.900 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 2.430 122.432 119.950 0.087 0.000 2.368 799 F HA 0.589 5.116 4.527 -0.001 0.000 0.362 799 F C 0.482 176.349 175.800 0.112 0.000 1.137 799 F CA -1.074 56.970 58.000 0.074 0.000 1.161 799 F CB 1.137 40.168 39.000 0.052 0.000 1.265 799 F HN -0.015 nan 8.300 nan 0.000 0.530 800 V N 7.923 127.602 119.914 -0.391 0.000 2.352 800 V HA -0.002 4.118 4.120 -0.001 0.000 0.253 800 V C 1.279 176.931 176.094 -0.737 0.000 1.083 800 V CA 0.200 62.272 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 4.628 124.482 120.200 -0.577 0.000 2.072 801 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 801 E C 1.097 177.548 176.600 -0.249 0.000 0.985 801 E CA 0.571 56.711 56.400 -0.434 0.000 0.801 801 E CB 0.249 29.933 29.700 -0.027 0.000 0.750 801 E HN 0.749 nan 8.360 nan 0.000 0.452 802 N N 0.805 119.396 118.700 -0.182 0.000 2.263 802 N HA -0.014 4.726 4.740 -0.001 0.000 0.239 802 N C -0.134 175.254 175.510 -0.203 0.000 1.317 802 N CA 0.690 53.659 53.050 -0.135 0.000 0.909 802 N CB 0.929 39.370 38.487 -0.078 0.000 1.171 802 N HN 0.147 nan 8.380 nan 0.000 0.492 803 S N -1.189 114.422 115.700 -0.149 0.000 2.664 803 S HA 0.333 4.803 4.470 -0.001 0.000 0.304 803 S C 0.819 175.349 174.600 -0.118 0.000 1.099 803 S CA -0.719 57.376 58.200 -0.175 0.000 1.003 803 S CB 0.598 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 -0.088 120.193 120.300 -0.031 0.000 2.403 804 Y HA -0.083 4.466 4.550 -0.001 0.000 0.291 804 Y C 2.106 178.007 175.900 0.003 0.000 1.143 804 Y CA 0.630 58.730 58.100 0.000 0.000 1.257 804 Y CB -0.085 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 0.614 121.916 121.223 0.131 0.000 2.007 805 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 805 L C 2.199 179.098 176.870 0.049 0.000 1.073 805 L CA 1.695 56.579 54.840 0.074 0.000 0.744 805 L CB -0.739 41.345 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 0.141 4.480 4.340 -0.001 0.000 0.239 806 R C 0.531 176.845 176.300 0.023 0.000 1.135 806 R CA 0.774 56.883 56.100 0.015 0.000 0.967 806 R CB -0.572 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 -0.296 108.528 108.800 0.039 0.000 2.784 807 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 807 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 807 G C -1.077 173.850 174.900 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 1.130 122.409 121.223 0.092 0.000 2.456 808 L HA 0.767 5.107 4.340 -0.001 0.000 0.257 808 L C 1.656 178.566 176.870 0.066 0.000 1.162 808 L CA 0.339 55.234 54.840 0.091 0.000 0.808 808 L CB 1.284 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 -2.045 112.538 114.554 0.049 0.000 2.928 809 T HA 0.434 4.784 4.350 -0.001 0.000 0.284 809 T C -2.009 172.695 174.700 0.007 0.000 1.008 809 T CA -1.856 60.247 62.100 0.005 0.000 1.057 809 T CB 1.544 70.408 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 64.674 63.100 -0.062 0.000 0.953 810 P CB -0.035 31.560 31.700 -0.174 0.000 0.789 811 Q N -0.291 119.344 119.800 -0.276 0.000 2.029 811 Q HA -0.234 4.106 4.340 -0.001 0.000 0.209 811 Q C 2.166 177.787 176.000 -0.633 0.000 0.999 811 Q CA 1.995 57.447 55.803 -0.584 0.000 0.857 811 Q CB -1.043 27.420 28.738 -0.458 0.000 0.926 811 Q HN 0.425 nan 8.270 nan 0.000 0.415 812 E N -0.288 119.796 120.200 -0.193 0.000 2.065 812 E HA -0.248 4.102 4.350 -0.001 0.000 0.201 812 E C 1.735 178.399 176.600 0.107 0.000 1.016 812 E CA 1.268 57.685 56.400 0.028 0.000 0.818 812 E CB -0.361 29.384 29.700 0.076 0.000 0.749 812 E HN 0.255 nan 8.360 nan 0.000 0.453 813 F N 1.011 120.955 119.950 -0.010 0.000 2.008 813 F HA -0.321 4.205 4.527 -0.001 0.000 0.297 813 F C 2.157 177.984 175.800 0.045 0.000 1.156 813 F CA 1.915 59.940 58.000 0.042 0.000 1.191 813 F CB -0.823 38.185 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 4.188 4.527 -0.001 0.000 0.298 814 F C 2.243 178.068 175.800 0.042 0.000 1.105 814 F CA 2.165 60.122 58.000 -0.071 0.000 1.215 814 F CB -0.917 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 -1.301 118.789 119.950 0.235 0.000 2.010 815 F HA -0.344 4.182 4.527 -0.001 0.000 0.296 815 F C 2.684 178.510 175.800 0.042 0.000 1.146 815 F CA 1.173 59.272 58.000 0.164 0.000 1.181 815 F CB -1.177 37.942 39.000 0.198 0.000 0.965 815 F HN 0.037 nan 8.300 nan 0.000 0.480 816 H N 0.839 119.998 119.070 0.148 0.000 2.472 816 H HA -0.219 4.337 4.556 -0.000 0.000 0.296 816 H C 1.795 177.046 175.328 -0.128 0.000 1.120 816 H CA 1.251 57.296 56.048 -0.004 0.000 1.250 816 H CB -0.447 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 0.197 122.820 122.820 -0.329 0.000 1.897 817 A HA -0.093 4.227 4.320 -0.001 0.000 0.215 817 A C 2.694 180.085 177.584 -0.321 0.000 1.181 817 A CA 1.398 53.120 52.037 -0.526 0.000 0.620 817 A CB -0.601 17.942 19.000 -0.762 0.000 0.821 817 A HN 0.479 nan 8.150 nan 0.000 0.443 818 M N -0.443 119.025 119.600 -0.219 0.000 2.065 818 M HA -0.149 4.331 4.480 -0.001 0.000 0.259 818 M C 2.326 178.599 176.300 -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 31.925 32.600 0.039 0.000 1.328 818 M HN 0.513 nan 8.290 nan 0.000 0.405 819 G N -0.375 108.431 108.800 0.010 0.000 2.421 819 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.216 819 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.216 819 G C 1.491 176.393 174.900 0.003 0.000 1.171 819 G CA 0.951 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 0.895 109.671 108.800 -0.039 0.000 2.529 820 G HA2 -0.345 3.615 3.960 -0.001 0.000 0.219 820 G HA3 -0.345 3.615 3.960 -0.001 0.000 0.219 820 G C 1.846 176.697 174.900 -0.082 0.000 1.177 820 G CA 1.509 46.553 45.100 -0.093 0.000 0.773 820 G HN 0.501 nan 8.290 nan 0.000 0.573 821 R N 0.763 121.201 120.500 -0.105 0.000 2.082 821 R HA -0.091 4.249 4.340 -0.001 0.000 0.234 821 R C 2.488 178.761 176.300 -0.045 0.000 1.136 821 R CA 2.149 58.201 56.100 -0.080 0.000 0.935 821 R CB -0.836 29.410 30.300 -0.090 0.000 0.842 821 R HN 0.529 nan 8.270 nan 0.000 0.430 822 E N -1.043 119.139 120.200 -0.031 0.000 2.164 822 E HA -0.238 4.112 4.350 -0.001 0.000 0.206 822 E C 1.725 178.317 176.600 -0.013 0.000 1.032 822 E CA 1.901 58.292 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 1.121 109.914 108.800 -0.013 0.000 2.484 823 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.215 823 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.215 823 G C 1.583 176.473 174.900 -0.017 0.000 1.219 823 G CA 0.970 46.065 45.100 -0.009 0.000 0.791 823 G HN 0.276 nan 8.290 nan 0.000 0.550 824 L N 0.250 121.456 121.223 -0.027 0.000 2.137 824 L HA -0.150 4.190 4.340 -0.001 0.000 0.213 824 L C 2.876 179.731 176.870 -0.025 0.000 1.085 824 L CA 0.850 55.673 54.840 -0.029 0.000 0.760 824 L CB -0.416 41.619 42.059 -0.040 0.000 0.893 824 L HN 0.301 nan 8.230 nan 0.000 0.434 825 I N 0.371 120.927 120.570 -0.023 0.000 2.130 825 I HA -0.276 3.894 4.170 -0.001 0.000 0.234 825 I C 2.078 178.185 176.117 -0.016 0.000 1.067 825 I CA 1.605 62.893 61.300 -0.019 0.000 1.339 825 I CB -0.650 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 0.071 120.464 120.400 -0.013 0.000 2.354 826 D HA -0.161 4.479 4.640 -0.001 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 0.008 114.553 114.554 -0.015 0.000 2.701 827 T HA -0.081 4.268 4.350 -0.001 0.000 0.263 827 T C 2.153 176.842 174.700 -0.018 0.000 1.040 827 T CA 1.713 63.803 62.100 -0.017 0.000 1.147 827 T CB -0.543 68.313 68.868 -0.019 0.000 0.865 827 T HN 0.393 nan 8.240 nan 0.000 0.426 828 A N 0.633 123.442 122.820 -0.019 0.000 2.019 828 A HA -0.022 4.297 4.320 -0.001 0.000 0.219 828 A C 2.508 180.080 177.584 -0.019 0.000 1.164 828 A CA 1.206 53.231 52.037 -0.019 0.000 0.644 828 A CB -0.799 18.189 19.000 -0.020 0.000 0.805 828 A HN 0.365 nan 8.150 nan 0.000 0.449 829 V N -0.436 119.468 119.914 -0.017 0.000 2.273 829 V HA -0.131 3.989 4.120 -0.001 0.000 0.242 829 V C 2.260 178.346 176.094 -0.013 0.000 1.035 829 V CA 2.047 64.337 62.300 -0.017 0.000 1.013 829 V CB -0.562 31.252 31.823 -0.015 0.000 0.652 829 V HN 0.405 nan 8.190 nan 0.000 0.452 830 K N 0.222 120.616 120.400 -0.011 0.000 2.520 830 K HA -0.146 4.173 4.320 -0.001 0.000 0.198 830 K C 1.878 178.472 176.600 -0.010 0.000 1.045 830 K CA 1.490 57.772 56.287 -0.009 0.000 0.934 830 K CB -0.548 31.946 32.500 -0.011 0.000 0.766 830 K HN 0.540 nan 8.250 nan 0.000 0.483 831 T N -1.160 113.386 114.554 -0.012 0.000 2.925 831 T HA 0.111 4.461 4.350 -0.001 0.000 0.245 831 T C 1.747 176.445 174.700 -0.004 0.000 1.025 831 T CA 0.779 62.871 62.100 -0.014 0.000 1.149 831 T CB -0.081 68.777 68.868 -0.018 0.000 0.866 831 T HN 0.255 nan 8.240 nan 0.000 0.437 832 A N 1.605 124.422 122.820 -0.006 0.000 1.855 832 A HA -0.075 4.245 4.320 -0.001 0.000 0.215 832 A C 2.134 179.731 177.584 0.021 0.000 1.191 832 A CA 1.673 53.709 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 -1.011 119.195 120.200 0.009 0.000 2.114 833 E HA -0.188 4.162 4.350 -0.001 0.000 0.199 833 E C 2.077 178.730 176.600 0.088 0.000 1.008 833 E CA 1.876 58.299 56.400 0.038 0.000 0.810 833 E CB -0.167 29.545 29.700 0.020 0.000 0.739 833 E HN 0.612 nan 8.360 nan 0.000 0.456 834 T N -0.627 113.955 114.554 0.047 0.000 2.777 834 T HA -0.095 4.255 4.350 -0.001 0.000 0.266 834 T C 1.734 176.461 174.700 0.047 0.000 1.040 834 T CA 1.027 63.148 62.100 0.035 0.000 1.141 834 T CB -0.493 68.374 68.868 -0.001 0.000 0.868 834 T HN 0.383 nan 8.240 nan 0.000 0.444 835 G N 0.027 108.857 108.800 0.049 0.000 2.469 835 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.220 835 G HA3 -0.281 3.678 3.960 -0.001 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 0.499 nan 8.290 nan 0.000 0.562 836 Y N 1.253 121.549 120.300 -0.008 0.000 2.133 836 Y HA -0.036 4.514 4.550 -0.001 0.000 0.287 836 Y C 2.704 178.623 175.900 0.031 0.000 1.134 836 Y CA 1.188 59.293 58.100 0.008 0.000 1.133 836 Y CB -0.287 38.176 38.460 0.006 0.000 0.987 836 Y HN 0.177 nan 8.280 nan 0.000 0.502 837 I N 0.061 120.695 120.570 0.106 0.000 2.194 837 I HA -0.367 3.802 4.170 -0.001 0.000 0.246 837 I C 2.519 178.607 176.117 -0.049 0.000 1.093 837 I CA 1.630 62.932 61.300 0.004 0.000 1.355 837 I CB -0.560 37.461 38.000 0.035 0.000 1.046 837 I HN 0.313 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 4.089 4.340 -0.001 0.000 0.206 838 Q C 2.180 178.145 176.000 -0.059 0.000 0.980 838 Q CA 1.718 57.491 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 -0.425 120.039 120.500 -0.059 0.000 2.064 839 R HA 0.026 4.365 4.340 -0.001 0.000 0.221 839 R C 2.311 178.591 176.300 -0.034 0.000 1.136 839 R CA 0.585 56.661 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 0.520 120.981 120.500 -0.065 0.000 2.117 840 R HA -0.146 4.194 4.340 -0.001 0.000 0.243 840 R C 2.335 178.500 176.300 -0.225 0.000 1.143 840 R CA 1.684 57.764 56.100 -0.035 0.000 0.968 840 R CB -0.460 29.808 30.300 -0.054 0.000 0.863 840 R HN 0.277 nan 8.270 nan 0.000 0.444 841 L N -0.140 120.977 121.223 -0.177 0.000 2.027 841 L HA -0.160 4.179 4.340 -0.001 0.000 0.206 841 L C 2.374 179.105 176.870 -0.233 0.000 1.074 841 L CA 1.006 55.723 54.840 -0.205 0.000 0.745 841 L CB -0.435 41.544 42.059 -0.133 0.000 0.898 841 L HN 0.020 nan 8.230 nan 0.000 0.433 842 V N -0.330 119.487 119.914 -0.163 0.000 2.407 842 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 842 V C 2.584 178.573 176.094 -0.175 0.000 1.055 842 V CA 1.493 63.710 62.300 -0.138 0.000 1.049 842 V CB -0.532 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 0.290 120.565 120.400 -0.208 0.000 2.031 843 K HA 0.065 4.385 4.320 -0.001 0.000 0.205 843 K C 2.360 178.645 176.600 -0.526 0.000 1.049 843 K CA 1.431 57.580 56.287 -0.231 0.000 0.939 843 K CB -0.890 31.553 32.500 -0.095 0.000 0.717 843 K HN 0.426 nan 8.250 nan 0.000 0.438 844 A N 1.659 123.862 122.820 -1.028 0.000 1.917 844 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 844 A C 2.157 179.391 177.584 -0.585 0.000 1.182 844 A CA 1.675 52.906 52.037 -1.343 0.000 0.633 844 A CB -0.590 17.672 19.000 -1.230 0.000 0.819 844 A HN 0.254 nan 8.150 nan 0.000 0.448 845 L N -2.384 118.612 121.223 -0.379 0.000 2.515 845 L HA 0.089 4.428 4.340 -0.001 0.000 0.223 845 L C 1.990 178.759 176.870 -0.168 0.000 1.079 845 L CA 0.740 55.445 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 1.948 122.046 120.200 -0.171 0.000 2.755 846 E HA -0.376 3.973 4.350 -0.001 0.000 0.241 846 E C 1.116 177.659 176.600 -0.095 0.000 0.977 846 E CA 2.677 59.007 56.400 -0.117 0.000 1.398 846 E CB -0.250 29.389 29.700 -0.102 0.000 1.343 846 E HN 0.713 nan 8.360 nan 0.000 0.482 847 D N -0.004 120.345 120.400 -0.084 0.000 2.338 847 D HA -0.039 4.601 4.640 -0.001 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 40.393 40.800 -0.040 0.000 0.899 847 D HN 0.242 nan 8.370 nan 0.000 0.525 848 I N 1.280 121.799 120.570 -0.086 0.000 2.395 848 I HA 0.273 4.442 4.170 -0.001 0.000 0.289 848 I C 0.460 176.502 176.117 -0.126 0.000 1.023 848 I CA -0.479 60.770 61.300 -0.085 0.000 1.350 848 I CB 1.102 39.046 38.000 -0.093 0.000 1.409 848 I HN 0.013 nan 8.210 nan 0.000 0.507 849 M N 5.613 125.133 119.600 -0.133 0.000 2.569 849 M HA 0.473 4.952 4.480 -0.001 0.000 0.279 849 M C -1.771 174.390 176.300 -0.231 0.000 1.253 849 M CA -0.800 54.365 55.300 -0.225 0.000 0.867 849 M CB 2.270 34.713 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 4.291 4.120 -0.001 0.000 0.262 850 V C 0.573 176.540 176.094 -0.211 0.000 1.047 850 V CA 0.007 62.188 62.300 -0.199 0.000 1.003 850 V CB -0.782 30.912 31.823 -0.215 0.000 1.037 850 V HN 0.748 nan 8.190 nan 0.000 0.480 851 H N 3.439 122.456 119.070 -0.088 0.000 2.598 851 H HA 0.093 4.648 4.556 -0.001 0.000 0.371 851 H C 0.472 175.761 175.328 -0.065 0.000 1.468 851 H CA 0.204 56.223 56.048 -0.049 0.000 1.454 851 H CB 0.800 30.575 29.762 0.022 0.000 1.579 851 H HN 0.574 nan 8.280 nan 0.000 0.611 852 Y N 0.317 120.720 120.300 0.172 0.000 2.680 852 Y HA -0.123 4.427 4.550 -0.001 0.000 0.303 852 Y C 1.004 176.953 175.900 0.082 0.000 1.166 852 Y CA 0.684 58.843 58.100 0.100 0.000 1.344 852 Y CB 0.062 38.579 38.460 0.094 0.000 1.002 852 Y HN 0.525 nan 8.280 nan 0.000 0.537 853 D N -2.773 117.751 120.400 0.206 0.000 2.559 853 D HA 0.036 4.676 4.640 -0.001 0.000 0.234 853 D C 0.239 176.609 176.300 0.116 0.000 1.226 853 D CA -0.184 53.903 54.000 0.144 0.000 0.830 853 D CB -0.682 40.190 40.800 0.120 0.000 1.028 853 D HN 0.025 nan 8.370 nan 0.000 0.492 854 N N -0.876 117.882 118.700 0.096 0.000 2.778 854 N HA -0.187 4.553 4.740 -0.001 0.000 0.249 854 N C -0.364 175.206 175.510 0.100 0.000 1.069 854 N CA 1.214 54.313 53.050 0.082 0.000 0.831 854 N CB -1.114 37.425 38.487 0.086 0.000 1.142 854 N HN 0.391 nan 8.380 nan 0.000 0.573 855 T N -0.356 114.258 114.554 0.100 0.000 2.847 855 T HA 0.398 4.748 4.350 -0.001 0.000 0.279 855 T C 0.085 174.821 174.700 0.060 0.000 0.984 855 T CA 0.320 62.463 62.100 0.072 0.000 0.988 855 T CB 1.003 69.897 68.868 0.043 0.000 1.040 855 T HN 0.065 nan 8.240 nan 0.000 0.528 856 T N 3.798 118.355 114.554 0.004 0.000 3.009 856 T HA 0.473 4.823 4.350 -0.001 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 2.242 122.778 120.500 0.061 0.000 2.854 857 R HA 0.561 4.901 4.340 -0.001 0.000 0.271 857 R C 0.157 176.492 176.300 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 -0.813 117.889 118.700 0.003 0.000 2.448 858 N HA 0.072 4.812 4.740 -0.001 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 0.893 39.365 38.487 -0.024 0.000 1.199 858 N HN 0.566 nan 8.380 nan 0.000 0.576 859 S N 0.666 116.381 115.700 0.025 0.000 2.390 859 S HA -0.286 4.184 4.470 -0.001 0.000 0.234 859 S C 1.925 176.529 174.600 0.007 0.000 1.063 859 S CA 1.423 59.639 58.200 0.027 0.000 1.108 859 S CB -1.247 61.958 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 4.309 4.340 -0.001 0.000 0.212 860 L C 2.472 179.320 176.870 -0.036 0.000 1.087 860 L CA 1.230 56.060 54.840 -0.017 0.000 0.757 860 L CB -1.092 40.957 42.059 -0.016 0.000 0.896 860 L HN 0.774 nan 8.230 nan 0.000 0.434 861 G N -1.829 106.938 108.800 -0.055 0.000 2.218 861 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.216 861 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.216 861 G C 0.042 174.883 174.900 -0.100 0.000 0.994 861 G CA -0.182 44.852 45.100 -0.109 0.000 0.637 861 G HN 0.312 nan 8.290 nan 0.000 0.505 862 N N 1.491 120.150 118.700 -0.067 0.000 2.417 862 N HA 0.263 5.002 4.740 -0.001 0.000 0.272 862 N C 0.756 176.203 175.510 -0.105 0.000 1.304 862 N CA 0.311 53.321 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 3.590 123.411 119.914 -0.154 0.000 2.720 863 V HA -0.078 4.042 4.120 -0.001 0.000 0.307 863 V C 1.719 177.653 176.094 -0.266 0.000 1.071 863 V CA 0.678 62.815 62.300 -0.273 0.000 1.199 863 V CB 0.176 31.704 31.823 -0.492 0.000 0.900 863 V HN 0.597 nan 8.190 nan 0.000 0.494 864 I N 2.480 122.906 120.570 -0.240 0.000 3.718 864 I HA 0.180 4.350 4.170 -0.001 0.000 0.297 864 I C 0.551 176.567 176.117 -0.168 0.000 1.220 864 I CA 0.356 61.561 61.300 -0.159 0.000 1.381 864 I CB 0.340 38.287 38.000 -0.088 0.000 1.238 864 I HN 0.579 nan 8.210 nan 0.000 0.448 865 Q N -0.103 119.576 119.800 -0.202 0.000 2.289 865 Q HA 0.320 4.659 4.340 -0.001 0.000 0.270 865 Q C -0.594 175.301 176.000 -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 0.050 nan 8.270 nan 0.000 0.427 866 F N 0.979 120.962 119.950 0.055 0.000 2.502 866 F HA 0.132 4.658 4.527 -0.001 0.000 0.298 866 F C 0.704 176.543 175.800 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 39.528 39.000 0.039 0.000 1.081 866 F HN 0.339 nan 8.300 nan 0.000 0.558 867 I N -1.509 119.185 120.570 0.207 0.000 2.649 867 I HA 0.084 4.254 4.170 -0.001 0.000 0.289 867 I C -1.074 175.142 176.117 0.165 0.000 1.222 867 I CA -1.276 60.124 61.300 0.167 0.000 1.046 867 I CB 1.498 39.584 38.000 0.144 0.000 1.272 867 I HN -0.293 nan 8.210 nan 0.000 0.425 868 Y N 5.500 125.818 120.300 0.030 0.000 2.712 868 Y HA 0.311 4.861 4.550 -0.001 0.000 0.333 868 Y C 1.391 177.303 175.900 0.020 0.000 1.225 868 Y CA 0.900 59.003 58.100 0.005 0.000 1.499 868 Y CB 0.681 39.130 38.460 -0.019 0.000 1.288 868 Y HN 0.848 nan 8.280 nan 0.000 0.575 869 G N 4.454 113.000 108.800 -0.424 0.000 2.269 869 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.277 869 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.277 869 G C 0.525 175.375 174.900 -0.084 0.000 1.008 869 G CA 0.823 45.667 45.100 -0.426 0.000 0.774 869 G HN 0.995 nan 8.290 nan 0.000 0.511 870 E N -2.180 118.023 120.200 0.005 0.000 3.680 870 E HA -0.333 4.017 4.350 -0.001 0.000 0.309 870 E C 0.812 177.436 176.600 0.040 0.000 0.793 870 E CA 1.596 58.035 56.400 0.065 0.000 1.083 870 E CB -0.963 28.803 29.700 0.110 0.000 1.548 870 E HN 0.894 nan 8.360 nan 0.000 0.456 871 D N -1.407 118.991 120.400 -0.004 0.000 2.497 871 D HA 0.193 4.833 4.640 -0.001 0.000 0.256 871 D C 0.982 177.281 176.300 -0.003 0.000 1.273 871 D CA 0.382 54.390 54.000 0.013 0.000 0.812 871 D CB -0.160 40.638 40.800 -0.003 0.000 1.190 871 D HN 0.220 nan 8.370 nan 0.000 0.524 872 G N 0.955 109.753 108.800 -0.004 0.000 2.379 872 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.297 872 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.297 872 G C -0.121 174.773 174.900 -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 0.693 120.240 119.600 -0.087 0.000 2.364 873 M HA 0.419 4.899 4.480 -0.001 0.000 0.334 873 M C -0.127 176.145 176.300 -0.047 0.000 1.107 873 M CA -1.642 53.584 55.300 -0.124 0.000 0.988 873 M CB 1.480 33.971 32.600 -0.182 0.000 1.673 873 M HN 0.201 nan 8.290 nan 0.000 0.441 874 D N 3.126 123.552 120.400 0.043 0.000 2.348 874 D HA 0.216 4.855 4.640 -0.001 0.000 0.253 874 D C 0.646 176.991 176.300 0.075 0.000 1.161 874 D CA 0.280 54.360 54.000 0.133 0.000 0.876 874 D CB 1.443 42.372 40.800 0.214 0.000 1.160 874 D HN 0.804 nan 8.370 nan 0.000 0.459 875 A N 4.337 127.187 122.820 0.049 0.000 1.971 875 A HA -0.223 4.097 4.320 -0.001 0.000 0.222 875 A C 2.115 179.712 177.584 0.022 0.000 1.182 875 A CA 2.332 54.386 52.037 0.028 0.000 0.649 875 A CB -0.574 18.456 19.000 0.050 0.000 0.818 875 A HN 0.714 nan 8.150 nan 0.000 0.458 876 A N -1.608 121.179 122.820 -0.055 0.000 1.930 876 A HA -0.109 4.211 4.320 -0.001 0.000 0.217 876 A C 1.581 179.034 177.584 -0.219 0.000 1.175 876 A CA 1.095 53.021 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 -0.541 118.530 119.070 0.002 0.000 2.770 877 H HA 0.401 4.956 4.556 -0.001 0.000 0.315 877 H C -0.454 174.869 175.328 -0.008 0.000 1.127 877 H CA 0.229 56.274 56.048 -0.006 0.000 1.155 877 H CB -0.471 29.258 29.762 -0.056 0.000 1.397 877 H HN 0.360 nan 8.280 nan 0.000 0.538 878 I N 0.697 121.327 120.570 0.101 0.000 2.892 878 I HA 0.281 4.451 4.170 -0.001 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 2.699 40.746 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 4.610 4.350 -0.001 0.000 0.280 879 E C -1.465 175.130 176.600 -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 4.343 4.320 -0.001 0.000 0.283 880 K C -0.529 176.025 176.600 -0.077 0.000 1.078 880 K CA 0.558 56.790 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 1.275 121.055 119.800 -0.032 0.000 2.297 881 Q HA 0.270 4.610 4.340 -0.001 0.000 0.268 881 Q C -0.645 175.339 176.000 -0.027 0.000 1.045 881 Q CA -0.990 54.806 55.803 -0.011 0.000 0.861 881 Q CB 2.006 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 0.984 116.670 115.700 -0.022 0.000 2.442 882 S HA 0.436 4.905 4.470 -0.001 0.000 0.297 882 S C -0.299 174.312 174.600 0.019 0.000 1.131 882 S CA -0.775 57.408 58.200 -0.028 0.000 1.092 882 S CB 0.236 63.412 63.200 -0.040 0.000 0.998 882 S HN 0.511 nan 8.310 nan 0.000 0.478 883 L N 3.865 125.105 121.223 0.029 0.000 2.401 883 L HA 0.257 4.597 4.340 -0.001 0.000 0.283 883 L C 0.578 177.484 176.870 0.060 0.000 1.151 883 L CA -0.479 54.391 54.840 0.051 0.000 0.942 883 L CB -0.078 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 0.809 121.260 120.400 0.084 0.000 2.411 884 D HA -0.107 4.532 4.640 -0.001 0.000 0.226 884 D C 1.348 177.737 176.300 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 41.131 40.800 0.174 0.000 0.883 884 D HN 0.526 nan 8.370 nan 0.000 0.525 885 T N -0.195 114.420 114.554 0.102 0.000 3.069 885 T HA 0.195 4.545 4.350 -0.001 0.000 0.252 885 T C 2.017 176.799 174.700 0.138 0.000 1.053 885 T CA -0.250 61.916 62.100 0.111 0.000 0.964 885 T CB 0.762 69.659 68.868 0.047 0.000 1.005 885 T HN 0.165 nan 8.240 nan 0.000 0.532 886 I N 0.717 121.350 120.570 0.104 0.000 2.429 886 I HA 0.177 4.347 4.170 -0.001 0.000 0.247 886 I C 1.868 178.073 176.117 0.147 0.000 1.099 886 I CA 0.362 61.722 61.300 0.101 0.000 1.422 886 I CB -0.300 37.740 38.000 0.066 0.000 1.112 886 I HN 0.230 nan 8.210 nan 0.000 0.430 887 G N -0.170 108.704 108.800 0.123 0.000 2.525 887 G HA2 0.487 4.447 3.960 -0.001 0.000 0.287 887 G HA3 0.487 4.447 3.960 -0.001 0.000 0.287 887 G C -0.120 174.881 174.900 0.167 0.000 1.350 887 G CA 0.294 45.486 45.100 0.152 0.000 1.039 887 G HN 0.525 nan 8.290 nan 0.000 0.513 888 G N -1.470 107.419 108.800 0.149 0.000 2.722 888 G HA2 0.273 4.233 3.960 -0.001 0.000 0.686 888 G HA3 0.273 4.233 3.960 -0.001 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 0.508 116.264 115.700 0.093 0.000 2.572 889 S HA 0.251 4.721 4.470 -0.001 0.000 0.267 889 S C 1.100 175.751 174.600 0.086 0.000 1.361 889 S CA 0.527 58.766 58.200 0.066 0.000 1.009 889 S CB 1.140 64.370 63.200 0.051 0.000 0.888 889 S HN 0.627 nan 8.310 nan 0.000 0.553 890 D N 1.184 121.612 120.400 0.046 0.000 2.178 890 D HA -0.078 4.561 4.640 -0.001 0.000 0.201 890 D C 2.158 178.537 176.300 0.130 0.000 0.980 890 D CA 1.540 55.571 54.000 0.052 0.000 0.842 890 D CB -0.504 40.295 40.800 -0.002 0.000 0.948 890 D HN 0.707 nan 8.370 nan 0.000 0.472 891 A N 1.182 124.060 122.820 0.096 0.000 1.898 891 A HA -0.036 4.284 4.320 -0.001 0.000 0.216 891 A C 2.334 179.986 177.584 0.114 0.000 1.181 891 A CA 1.943 54.035 52.037 0.092 0.000 0.620 891 A CB -0.515 18.519 19.000 0.056 0.000 0.819 891 A HN 0.235 nan 8.150 nan 0.000 0.442 892 A N -1.412 121.480 122.820 0.121 0.000 1.969 892 A HA 0.000 4.320 4.320 -0.001 0.000 0.218 892 A C 2.010 179.703 177.584 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 18.376 19.000 0.101 0.000 0.810 892 A HN 0.707 nan 8.150 nan 0.000 0.445 893 F N 0.604 120.605 119.950 0.086 0.000 2.216 893 F HA -0.116 4.411 4.527 -0.001 0.000 0.300 893 F C 2.069 177.983 175.800 0.190 0.000 1.085 893 F CA 1.988 60.055 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 4.209 4.350 -0.001 0.000 0.189 894 E C 2.048 178.704 176.600 0.094 0.000 0.974 894 E CA 0.526 57.096 56.400 0.283 0.000 0.806 894 E CB -0.086 29.754 29.700 0.233 0.000 0.769 894 E HN 0.322 nan 8.360 nan 0.000 0.451 895 K N 0.344 120.767 120.400 0.038 0.000 2.362 895 K HA -0.191 4.129 4.320 -0.001 0.000 0.202 895 K C 2.199 178.773 176.600 -0.044 0.000 1.045 895 K CA 0.959 57.228 56.287 -0.029 0.000 0.936 895 K CB -0.030 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 -0.611 119.873 120.500 -0.027 0.000 2.087 896 R HA -0.014 4.326 4.340 -0.001 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 -0.157 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 -0.119 120.050 120.300 -0.219 0.000 2.507 897 Y HA 0.276 4.826 4.550 -0.001 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 0.071 38.282 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 0.355 4.694 4.340 -0.001 0.000 0.291 898 R C -1.434 174.853 176.300 -0.023 0.000 1.069 898 R CA -0.097 56.065 56.100 0.103 0.000 1.022 898 R CB 0.145 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 4.868 124.754 119.914 -0.047 0.000 2.447 899 V HA 0.214 4.333 4.120 -0.001 0.000 0.292 899 V C -0.980 175.082 176.094 -0.052 0.000 1.021 899 V CA -0.736 61.546 62.300 -0.031 0.000 0.850 899 V CB 1.603 33.420 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 5.019 4.640 -0.001 0.000 0.281 900 D C 1.223 177.518 176.300 -0.009 0.000 1.174 900 D CA -0.333 53.649 54.000 -0.029 0.000 0.938 900 D CB 0.766 41.552 40.800 -0.023 0.000 1.002 900 D HN 0.415 nan 8.370 nan 0.000 0.501 901 L N 1.308 122.521 121.223 -0.016 0.000 2.283 901 L HA -0.160 4.179 4.340 -0.001 0.000 0.217 901 L C 1.250 178.110 176.870 -0.016 0.000 1.104 901 L CA 0.893 55.724 54.840 -0.015 0.000 0.772 901 L CB -0.430 41.619 42.059 -0.017 0.000 0.899 901 L HN 0.460 nan 8.230 nan 0.000 0.439 902 L N 0.495 121.708 121.223 -0.017 0.000 2.934 902 L HA 0.199 4.539 4.340 -0.001 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 -0.635 41.414 42.059 -0.018 0.000 1.594 902 L HN 0.221 nan 8.230 nan 0.000 0.439 903 N N -1.170 117.518 118.700 -0.020 0.000 3.547 903 N HA 0.012 4.751 4.740 -0.001 0.000 0.203 903 N C 0.645 176.123 175.510 -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 -0.075 nan 8.380 nan 0.000 0.686 904 T N 0.309 114.826 114.554 -0.062 0.000 2.751 904 T HA -0.175 4.175 4.350 -0.001 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 -0.463 119.826 120.400 -0.186 0.000 2.305 905 D HA 0.003 4.643 4.640 -0.001 0.000 0.206 905 D C 0.726 176.835 176.300 -0.318 0.000 0.974 905 D CA 0.764 54.583 54.000 -0.302 0.000 0.871 905 D CB 0.094 40.613 40.800 -0.469 0.000 0.947 905 D HN 0.446 nan 8.370 nan 0.000 0.516 906 H N -0.176 118.877 119.070 -0.029 0.000 2.528 906 H HA 0.325 4.881 4.556 -0.001 0.000 0.256 906 H C -0.119 175.185 175.328 -0.040 0.000 1.204 906 H CA -0.135 55.893 56.048 -0.034 0.000 0.955 906 H CB 0.027 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 4.752 4.350 -0.001 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 1.790 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 4.481 4.340 -0.001 0.000 0.281 908 L C 1.035 177.894 176.870 -0.017 0.000 1.131 908 L CA -0.430 54.398 54.840 -0.019 0.000 0.905 908 L CB -0.300 41.742 42.059 -0.029 0.000 1.246 908 L HN 0.674 nan 8.230 nan 0.000 0.463 909 D N 6.738 127.130 120.400 -0.014 0.000 2.622 909 D HA -0.082 4.558 4.640 -0.001 0.000 0.227 909 D C -1.394 174.897 176.300 -0.014 0.000 1.159 909 D CA -0.700 53.292 54.000 -0.013 0.000 0.865 909 D CB 1.248 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 0.906 178.200 177.300 -0.010 0.000 1.197 910 P CA 0.409 63.501 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 -0.796 114.900 115.700 -0.007 0.000 2.439 911 S HA 0.012 4.482 4.470 -0.001 0.000 0.224 911 S C 1.932 176.532 174.600 -0.000 0.000 1.029 911 S CA 0.118 58.318 58.200 -0.001 0.000 0.946 911 S CB -1.213 61.989 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 4.542 4.340 -0.001 0.000 0.206 912 L C 1.360 178.221 176.870 -0.016 0.000 1.078 912 L CA 0.443 55.278 54.840 -0.008 0.000 0.749 912 L CB -0.782 41.266 42.059 -0.019 0.000 0.894 912 L HN 0.307 nan 8.230 nan 0.000 0.436 913 L N 0.309 121.516 121.223 -0.025 0.000 2.453 913 L HA 0.027 4.367 4.340 -0.001 0.000 0.261 913 L C 1.186 178.041 176.870 -0.025 0.000 1.179 913 L CA 0.595 55.416 54.840 -0.032 0.000 0.813 913 L CB 0.678 42.714 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 4.272 4.350 -0.001 0.000 0.189 914 E C 1.029 177.616 176.600 -0.021 0.000 0.974 914 E CA 0.941 57.328 56.400 -0.021 0.000 0.808 914 E CB 0.164 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 -0.196 115.489 115.700 -0.026 0.000 2.768 915 S HA 0.182 4.652 4.470 -0.001 0.000 0.246 915 S C 1.424 176.010 174.600 -0.024 0.000 1.006 915 S CA -0.038 58.148 58.200 -0.024 0.000 1.075 915 S CB 0.430 63.613 63.200 -0.028 0.000 0.786 915 S HN 0.347 nan 8.310 nan 0.000 0.468 916 G N 3.215 112.001 108.800 -0.022 0.000 2.514 916 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.217 916 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.217 916 G C 1.722 176.610 174.900 -0.019 0.000 1.198 916 G CA 1.295 46.382 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 4.373 4.470 -0.001 0.000 0.224 917 S C 1.864 176.455 174.600 -0.016 0.000 1.029 917 S CA 1.485 59.676 58.200 -0.015 0.000 0.978 917 S CB -0.416 62.776 63.200 -0.013 0.000 0.833 917 S HN 0.714 nan 8.310 nan 0.000 0.466 918 E N 0.797 120.987 120.200 -0.016 0.000 2.322 918 E HA 0.262 4.612 4.350 -0.001 0.000 0.195 918 E C 0.975 177.564 176.600 -0.017 0.000 1.198 918 E CA 0.116 56.507 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 -0.408 120.151 120.570 -0.018 0.000 4.398 919 I HA 0.051 4.221 4.170 -0.001 0.000 0.310 919 I C 0.859 176.965 176.117 -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 3.326 124.538 121.223 -0.018 0.000 2.894 920 L HA -0.096 4.244 4.340 -0.001 0.000 0.286 920 L C 1.014 177.874 176.870 -0.017 0.000 1.077 920 L CA 1.380 56.209 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 0.609 nan 8.230 nan 0.000 0.452 921 G N 2.552 111.342 108.800 -0.017 0.000 2.436 921 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.204 921 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.204 921 G C 0.271 175.162 174.900 -0.015 0.000 1.026 921 G CA -0.005 45.086 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 4.708 4.640 -0.001 0.000 0.243 922 D C 1.918 178.211 176.300 -0.013 0.000 1.243 922 D CA 0.531 54.523 54.000 -0.014 0.000 0.883 922 D CB 0.137 40.928 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 4.212 4.340 -0.001 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 -0.212 41.842 42.059 -0.009 0.000 0.914 923 L HN 0.283 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 4.239 4.320 -0.001 0.000 0.203 924 K C 2.039 178.634 176.600 -0.008 0.000 1.050 924 K CA 0.972 57.255 56.287 -0.008 0.000 0.945 924 K CB -0.022 32.474 32.500 -0.008 0.000 0.732 924 K HN 0.294 nan 8.250 nan 0.000 0.451 925 L N 0.394 121.610 121.223 -0.011 0.000 2.162 925 L HA -0.104 4.236 4.340 -0.001 0.000 0.205 925 L C 2.462 179.327 176.870 -0.009 0.000 1.086 925 L CA 0.634 55.467 54.840 -0.012 0.000 0.778 925 L CB -0.279 41.770 42.059 -0.016 0.000 0.928 925 L HN 0.147 nan 8.230 nan 0.000 0.446 926 Q N 0.056 119.850 119.800 -0.010 0.000 2.170 926 Q HA -0.145 4.195 4.340 -0.001 0.000 0.203 926 Q C 2.340 178.339 176.000 -0.002 0.000 0.976 926 Q CA 1.214 57.011 55.803 -0.010 0.000 0.858 926 Q CB -0.321 28.409 28.738 -0.014 0.000 0.907 926 Q HN 0.353 nan 8.270 nan 0.000 0.433 927 V N 0.853 120.766 119.914 -0.001 0.000 2.469 927 V HA -0.250 3.869 4.120 -0.001 0.000 0.251 927 V C 2.286 178.387 176.094 0.012 0.000 1.064 927 V CA 1.303 63.605 62.300 0.005 0.000 1.066 927 V CB -0.474 31.350 31.823 0.002 0.000 0.667 927 V HN 0.258 nan 8.190 nan 0.000 0.461 928 L N -1.314 119.915 121.223 0.010 0.000 2.062 928 L HA -0.042 4.297 4.340 -0.001 0.000 0.202 928 L C 2.431 179.320 176.870 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 41.450 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 4.023 4.340 -0.001 0.000 0.216 929 L C 2.283 179.203 176.870 0.083 0.000 1.077 929 L CA 1.949 56.818 54.840 0.047 0.000 0.766 929 L CB -1.386 40.684 42.059 0.019 0.000 0.890 929 L HN 0.368 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 4.466 4.640 -0.001 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 0.234 120.475 120.200 0.068 0.000 2.085 931 E HA -0.208 4.141 4.350 -0.001 0.000 0.194 931 E C 1.993 178.637 176.600 0.073 0.000 0.994 931 E CA 0.934 57.369 56.400 0.059 0.000 0.801 931 E CB 0.000 29.720 29.700 0.033 0.000 0.743 931 E HN 0.422 nan 8.360 nan 0.000 0.453 932 E N 0.150 120.401 120.200 0.085 0.000 2.047 932 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 932 E C 1.978 178.652 176.600 0.124 0.000 0.987 932 E CA 0.921 57.374 56.400 0.088 0.000 0.799 932 E CB -0.268 29.485 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 -0.114 4.436 4.550 -0.001 0.000 0.290 933 Y C 1.998 177.945 175.900 0.078 0.000 1.144 933 Y CA 1.623 59.763 58.100 0.066 0.000 1.228 933 Y CB 0.185 38.684 38.460 0.065 0.000 0.985 933 Y HN -0.048 nan 8.280 nan 0.000 0.542 934 K N -0.584 119.935 120.400 0.198 0.000 2.217 934 K HA -0.186 4.134 4.320 -0.001 0.000 0.202 934 K C 2.010 178.621 176.600 0.017 0.000 1.051 934 K CA 1.108 57.462 56.287 0.111 0.000 0.952 934 K CB 0.008 32.567 32.500 0.098 0.000 0.736 934 K HN 0.247 nan 8.250 nan 0.000 0.453 935 Q N 1.203 121.009 119.800 0.009 0.000 2.033 935 Q HA -0.017 4.322 4.340 -0.001 0.000 0.196 935 Q C 1.835 177.813 176.000 -0.036 0.000 0.970 935 Q CA 1.314 57.108 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 4.151 4.340 -0.001 0.000 0.212 936 L C 2.190 179.058 176.870 -0.003 0.000 1.080 936 L CA 1.018 55.810 54.840 -0.080 0.000 0.754 936 L CB -0.621 41.288 42.059 -0.250 0.000 0.893 936 L HN 0.098 nan 8.230 nan 0.000 0.433 937 V N -0.613 119.249 119.914 -0.087 0.000 2.719 937 V HA -0.186 3.934 4.120 -0.001 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 -0.116 120.245 120.400 -0.065 0.000 2.057 938 K HA -0.150 4.170 4.320 -0.001 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 0.425 120.841 120.400 0.028 0.000 2.104 939 D HA -0.182 4.457 4.640 -0.001 0.000 0.194 939 D C 1.913 178.264 176.300 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 0.843 121.328 120.500 -0.026 0.000 2.096 940 R HA -0.156 4.184 4.340 -0.001 0.000 0.240 940 R C 2.110 178.374 176.300 -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 -0.374 0.000 0.854 940 R HN 0.036 nan 8.270 nan 0.000 0.436 941 K N -0.012 120.353 120.400 -0.059 0.000 2.002 941 K HA -0.190 4.130 4.320 -0.001 0.000 0.209 941 K C 1.984 178.607 176.600 0.038 0.000 1.048 941 K CA 1.350 57.621 56.287 -0.025 0.000 0.930 941 K CB -0.816 31.670 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 4.315 4.527 -0.001 0.000 0.299 942 F C 2.021 177.782 175.800 -0.065 0.000 1.103 942 F CA 1.348 59.306 58.000 -0.070 0.000 1.228 942 F CB -0.514 38.448 39.000 -0.064 0.000 0.984 942 F HN -0.102 nan 8.300 nan 0.000 0.477 943 L N -0.061 121.007 121.223 -0.257 0.000 2.005 943 L HA -0.188 4.152 4.340 -0.001 0.000 0.207 943 L C 2.657 179.437 176.870 -0.151 0.000 1.072 943 L CA 1.502 56.175 54.840 -0.278 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 -0.037 120.438 120.500 -0.042 0.000 2.249 944 R HA -0.184 4.156 4.340 -0.001 0.000 0.230 944 R C 1.971 178.245 176.300 -0.043 0.000 1.121 944 R CA 0.994 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 4.269 4.350 -0.001 0.000 0.190 945 E C 1.920 178.340 176.600 -0.299 0.000 0.975 945 E CA 0.703 57.000 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 0.355 119.951 119.914 -0.531 0.000 2.255 946 V HA -0.147 3.973 4.120 -0.001 0.000 0.243 946 V C 0.874 176.460 176.094 -0.847 0.000 1.038 946 V CA 1.311 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 0.423 120.173 119.950 -0.333 0.000 2.560 947 F HA 0.323 4.850 4.527 -0.001 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 -0.304 38.567 39.000 -0.214 0.000 1.627 947 F HN -0.136 nan 8.300 nan 0.000 0.588 948 V N -0.739 119.173 119.914 -0.004 0.000 2.313 948 V HA -0.384 3.735 4.120 -0.001 0.000 0.253 948 V C 2.096 178.258 176.094 0.114 0.000 1.070 948 V CA 2.057 64.389 62.300 0.053 0.000 1.057 948 V CB -0.438 31.383 31.823 -0.003 0.000 0.653 948 V HN 0.475 nan 8.190 nan 0.000 0.450 949 D N 0.535 120.979 120.400 0.074 0.000 2.170 949 D HA -0.129 4.510 4.640 -0.001 0.000 0.193 949 D C 1.905 178.083 176.300 -0.204 0.000 1.004 949 D CA 2.401 56.414 54.000 0.022 0.000 0.860 949 D CB -0.536 40.314 40.800 0.083 0.000 0.931 949 D HN 0.706 nan 8.370 nan 0.000 0.448 950 G N -0.076 108.540 108.800 -0.307 0.000 2.179 950 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.220 950 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.220 950 G C 0.105 174.779 174.900 -0.377 0.000 0.990 950 G CA 0.359 44.933 45.100 -0.876 0.000 0.646 950 G HN 0.387 nan 8.290 nan 0.000 0.517 951 E N 0.898 121.038 120.200 -0.101 0.000 2.351 951 E HA 0.621 4.971 4.350 -0.001 0.000 0.266 951 E C 1.074 177.687 176.600 0.023 0.000 1.031 951 E CA 0.766 57.132 56.400 -0.057 0.000 0.911 951 E CB 0.739 30.456 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 0.142 4.461 4.320 -0.001 0.000 0.232 952 A C -0.123 177.348 177.584 -0.187 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 0.444 118.834 118.700 -0.517 0.000 2.546 953 N HA 0.346 5.085 4.740 -0.001 0.000 0.238 953 N C -1.855 173.081 175.510 -0.957 0.000 0.984 953 N CA 0.126 52.850 53.050 -0.543 0.000 0.935 953 N CB 0.541 38.763 38.487 -0.443 0.000 1.122 953 N HN 0.420 nan 8.380 nan 0.000 0.510 954 W N 2.311 123.462 121.300 -0.247 0.000 2.739 954 W HA 0.359 5.019 4.660 -0.001 0.000 0.331 954 W C -2.111 174.342 176.519 -0.110 0.000 1.049 954 W CA -1.957 55.253 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 0.051 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 0.829 63.996 63.100 0.112 0.000 0.780 955 P CB 0.579 32.360 31.700 0.135 0.000 0.789 956 L N 5.987 127.282 121.223 0.119 0.000 2.422 956 L HA 0.514 4.854 4.340 -0.001 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 0.128 0.000 0.819 956 L CB 2.848 45.053 42.059 0.243 0.000 1.330 956 L HN 0.127 nan 8.230 nan 0.000 0.410 957 P HA 0.049 nan 4.420 nan 0.000 0.269 957 P C -0.453 176.794 177.300 -0.088 0.000 1.215 957 P CA 0.153 63.160 63.100 -0.155 0.000 0.780 957 P CB 1.072 32.526 31.700 -0.409 0.000 0.898 958 V N 0.316 120.217 119.914 -0.022 0.000 3.559 958 V HA -0.199 3.921 4.120 -0.001 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 -1.710 30.226 31.823 0.188 0.000 2.423 958 V HN 0.897 nan 8.190 nan 0.000 0.500 959 N N 4.664 123.404 118.700 0.067 0.000 2.549 959 N HA 0.204 4.944 4.740 -0.001 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 39.000 38.487 -0.009 0.000 1.380 959 N HN 0.723 nan 8.380 nan 0.000 0.505 960 I N 2.442 123.047 120.570 0.057 0.000 2.151 960 I HA -0.349 3.820 4.170 -0.001 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 0.867 121.341 120.500 -0.043 0.000 2.134 961 R HA -0.280 4.059 4.340 -0.001 0.000 0.248 961 R C 2.470 178.720 176.300 -0.083 0.000 1.143 961 R CA 2.018 58.075 56.100 -0.072 0.000 0.957 961 R CB -0.278 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 0.163 120.638 120.500 -0.042 0.000 2.070 962 R HA -0.113 4.227 4.340 -0.001 0.000 0.232 962 R C 2.445 178.728 176.300 -0.029 0.000 1.138 962 R CA 2.162 58.250 56.100 -0.020 0.000 0.936 962 R CB -0.442 29.867 30.300 0.014 0.000 0.839 962 R HN 0.315 nan 8.270 nan 0.000 0.429 963 I N 0.845 121.388 120.570 -0.045 0.000 2.143 963 I HA -0.395 3.775 4.170 -0.001 0.000 0.245 963 I C 2.361 178.455 176.117 -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 0.535 121.026 120.570 -0.133 0.000 2.099 964 I HA -0.353 3.816 4.170 -0.001 0.000 0.239 964 I C 2.757 178.802 176.117 -0.120 0.000 1.066 964 I CA 1.721 62.898 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 0.460 120.173 119.800 -0.144 0.000 2.197 965 Q HA -0.197 4.143 4.340 -0.001 0.000 0.207 965 Q C 1.321 177.192 176.000 -0.215 0.000 0.984 965 Q CA 1.242 56.933 55.803 -0.186 0.000 0.869 965 Q CB -0.453 28.151 28.738 -0.222 0.000 0.906 965 Q HN 0.541 nan 8.270 nan 0.000 0.426 966 N N -0.550 118.126 118.700 -0.039 0.000 2.434 966 N HA 0.085 4.824 4.740 -0.001 0.000 0.196 966 N C 0.485 176.193 175.510 0.329 0.000 1.183 966 N CA 0.650 53.782 53.050 0.138 0.000 0.849 966 N CB 0.672 39.335 38.487 0.293 0.000 0.992 966 N HN 0.260 nan 8.380 nan 0.000 0.460 967 A N -0.511 122.464 122.820 0.257 0.000 2.048 967 A HA 0.091 4.411 4.320 -0.001 0.000 0.197 967 A C 1.861 179.543 177.584 0.162 0.000 1.486 967 A CA -0.112 52.127 52.037 0.337 0.000 1.029 967 A CB 0.218 19.435 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 4.086 4.340 -0.001 0.000 0.207 968 Q C 1.601 177.604 176.000 0.005 0.000 0.984 968 Q CA 2.151 57.965 55.803 0.018 0.000 0.869 968 Q CB -0.113 28.622 28.738 -0.005 0.000 0.906 968 Q HN 0.964 nan 8.270 nan 0.000 0.426 969 Q N -3.000 116.774 119.800 -0.044 0.000 2.140 969 Q HA 0.188 4.527 4.340 -0.001 0.000 0.227 969 Q C 1.076 176.891 176.000 -0.309 0.000 0.798 969 Q CA 0.312 56.055 55.803 -0.100 0.000 0.987 969 Q CB 0.076 28.813 28.738 -0.001 0.000 1.161 969 Q HN -0.113 nan 8.270 nan 0.000 0.480 970 T N -0.331 114.068 114.554 -0.258 0.000 3.054 970 T HA 0.199 4.548 4.350 -0.001 0.000 0.259 970 T C -0.170 174.042 174.700 -0.813 0.000 1.092 970 T CA 0.717 62.496 62.100 -0.535 0.000 1.121 970 T CB -0.055 68.431 68.868 -0.637 0.000 0.912 970 T HN 0.325 nan 8.240 nan 0.000 0.489 971 F N 0.205 119.911 119.950 -0.408 0.000 2.683 971 F HA 0.324 4.851 4.527 -0.001 0.000 0.306 971 F C 0.201 175.921 175.800 -0.133 0.000 1.102 971 F CA -0.967 56.878 58.000 -0.258 0.000 1.244 971 F CB -0.087 38.812 39.000 -0.169 0.000 1.029 971 F HN 0.098 nan 8.300 nan 0.000 0.545 972 H N 1.261 120.369 119.070 0.064 0.000 2.542 972 H HA -0.152 4.403 4.556 -0.001 0.000 0.313 972 H C 0.122 175.470 175.328 0.034 0.000 0.960 972 H CA 0.407 56.476 56.048 0.034 0.000 1.032 972 H CB -1.211 28.556 29.762 0.009 0.000 1.620 972 H HN 0.280 nan 8.280 nan 0.000 0.346 973 I N 4.207 124.825 120.570 0.079 0.000 2.301 973 I HA 0.014 4.184 4.170 -0.001 0.000 0.292 973 I C 0.709 176.759 176.117 -0.113 0.000 1.046 973 I CA -0.401 60.888 61.300 -0.019 0.000 1.282 973 I CB 0.885 38.841 38.000 -0.074 0.000 1.409 973 I HN 0.296 nan 8.210 nan 0.000 0.484 974 D N 5.969 126.327 120.400 -0.069 0.000 2.295 974 D HA 0.045 4.684 4.640 -0.001 0.000 0.248 974 D C 0.466 176.707 176.300 -0.098 0.000 1.154 974 D CA -0.359 53.610 54.000 -0.052 0.000 0.857 974 D CB 0.904 41.712 40.800 0.012 0.000 1.117 974 D HN 0.479 nan 8.370 nan 0.000 0.468 975 H N 1.568 120.669 119.070 0.051 0.000 2.682 975 H HA 0.021 4.577 4.556 -0.001 0.000 0.293 975 H C 1.113 176.459 175.328 0.029 0.000 1.080 975 H CA 0.560 56.633 56.048 0.042 0.000 1.189 975 H CB -0.091 29.698 29.762 0.044 0.000 1.311 975 H HN 0.631 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 0.152 4.501 4.350 -0.001 0.000 0.247 976 T C 0.909 175.632 174.700 0.038 0.000 0.992 976 T CA -0.219 61.920 62.100 0.064 0.000 1.036 976 T CB 1.138 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 2.486 122.901 120.400 0.025 0.000 2.106 977 K HA 0.519 4.838 4.320 -0.001 0.000 0.246 977 K C -2.652 173.954 176.600 0.009 0.000 0.987 977 K CA -2.379 53.917 56.287 0.014 0.000 0.904 977 K CB 0.932 33.438 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 1.451 33.148 31.700 -0.005 0.000 0.984 979 S N 0.937 116.629 115.700 -0.015 0.000 2.608 979 S HA 0.079 4.548 4.470 -0.001 0.000 0.261 979 S C 0.763 175.346 174.600 -0.028 0.000 1.314 979 S CA -0.160 58.026 58.200 -0.022 0.000 0.992 979 S CB -0.054 63.128 63.200 -0.031 0.000 0.935 979 S HN 0.600 nan 8.310 nan 0.000 0.564 980 D N 1.341 121.722 120.400 -0.032 0.000 2.501 980 D HA 0.153 4.792 4.640 -0.001 0.000 0.226 980 D C 0.036 176.303 176.300 -0.055 0.000 1.198 980 D CA -0.216 53.765 54.000 -0.033 0.000 0.830 980 D CB -0.483 40.307 40.800 -0.017 0.000 1.014 980 D HN 0.372 nan 8.370 nan 0.000 0.496 981 L N 0.977 122.151 121.223 -0.081 0.000 2.331 981 L HA 0.239 4.579 4.340 -0.001 0.000 0.278 981 L C 0.368 177.164 176.870 -0.123 0.000 1.106 981 L CA 0.024 54.782 54.840 -0.137 0.000 0.824 981 L CB 1.348 43.284 42.059 -0.205 0.000 1.142 981 L HN -0.158 nan 8.230 nan 0.000 0.443 982 T N 3.898 118.374 114.554 -0.129 0.000 2.845 982 T HA 0.285 4.635 4.350 -0.001 0.000 0.288 982 T C 1.662 176.290 174.700 -0.120 0.000 0.980 982 T CA -0.473 61.567 62.100 -0.099 0.000 1.071 982 T CB 1.401 70.225 68.868 -0.074 0.000 0.941 982 T HN 0.424 nan 8.240 nan 0.000 0.487 983 I N 1.851 122.366 120.570 -0.091 0.000 2.315 983 I HA -0.243 3.927 4.170 -0.001 0.000 0.251 983 I C 2.494 178.561 176.117 -0.082 0.000 1.125 983 I CA 1.442 62.690 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 0.442 120.802 120.400 -0.068 0.000 2.025 984 K HA -0.176 4.144 4.320 -0.001 0.000 0.207 984 K C 1.664 178.223 176.600 -0.068 0.000 1.049 984 K CA 1.487 57.742 56.287 -0.052 0.000 0.933 984 K CB -0.223 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 4.430 4.640 -0.001 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 -0.578 40.104 40.800 -0.197 0.000 0.974 985 D HN 0.119 nan 8.370 nan 0.000 0.447 986 I N 0.664 121.015 120.570 -0.365 0.000 2.043 986 I HA -0.321 3.849 4.170 -0.001 0.000 0.231 986 I C 2.615 178.699 176.117 -0.054 0.000 1.024 986 I CA 1.052 62.106 61.300 -0.409 0.000 1.309 986 I CB -0.852 36.927 38.000 -0.368 0.000 1.030 986 I HN -0.092 nan 8.210 nan 0.000 0.389 987 V N 1.128 121.016 119.914 -0.042 0.000 2.252 987 V HA -0.340 3.779 4.120 -0.001 0.000 0.255 987 V C 2.400 178.508 176.094 0.025 0.000 1.071 987 V CA 2.282 64.588 62.300 0.009 0.000 1.050 987 V CB -0.767 31.055 31.823 -0.003 0.000 0.654 987 V HN 0.391 nan 8.190 nan 0.000 0.448 988 L N -0.130 121.099 121.223 0.009 0.000 2.156 988 L HA -0.016 4.324 4.340 -0.001 0.000 0.208 988 L C 2.560 179.456 176.870 0.043 0.000 1.095 988 L CA 1.333 56.184 54.840 0.018 0.000 0.770 988 L CB -0.942 41.120 42.059 0.005 0.000 0.914 988 L HN 0.495 nan 8.230 nan 0.000 0.439 989 G N -0.346 108.501 108.800 0.078 0.000 2.414 989 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.215 989 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.215 989 G C 1.577 176.563 174.900 0.144 0.000 1.188 989 G CA 0.795 45.986 45.100 0.151 0.000 0.783 989 G HN 0.137 nan 8.290 nan 0.000 0.537 990 V N 0.964 120.989 119.914 0.184 0.000 2.282 990 V HA -0.254 3.865 4.120 -0.001 0.000 0.249 990 V C 2.690 178.804 176.094 0.033 0.000 1.057 990 V CA 2.510 64.875 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 4.073 4.320 -0.001 0.000 0.214 991 K C 2.095 178.692 176.600 -0.004 0.000 1.049 991 K CA 2.116 58.406 56.287 0.006 0.000 0.939 991 K CB -0.406 32.099 32.500 0.008 0.000 0.721 991 K HN 0.455 nan 8.250 nan 0.000 0.441 992 D N 0.625 121.030 120.400 0.009 0.000 2.149 992 D HA -0.201 4.438 4.640 -0.001 0.000 0.194 992 D C 1.916 178.207 176.300 -0.016 0.000 1.001 992 D CA 1.143 55.143 54.000 0.000 0.000 0.849 992 D CB -0.180 40.629 40.800 0.014 0.000 0.939 992 D HN 0.115 nan 8.370 nan 0.000 0.449 993 L N 1.535 122.749 121.223 -0.016 0.000 2.051 993 L HA -0.242 4.098 4.340 -0.001 0.000 0.214 993 L C 2.024 178.851 176.870 -0.071 0.000 1.076 993 L CA 1.790 56.602 54.840 -0.045 0.000 0.758 993 L CB -0.820 41.203 42.059 -0.061 0.000 0.890 993 L HN 0.028 nan 8.230 nan 0.000 0.433 994 Q N -0.935 118.823 119.800 -0.071 0.000 2.515 994 Q HA -0.169 4.171 4.340 -0.001 0.000 0.215 994 Q C 1.652 177.603 176.000 -0.082 0.000 0.983 994 Q CA 1.001 56.751 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 -0.093 120.070 120.200 -0.061 0.000 2.340 995 E HA 0.016 4.365 4.350 -0.001 0.000 0.194 995 E C 0.635 177.202 176.600 -0.055 0.000 0.996 995 E CA 0.390 56.761 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 4.868 4.740 -0.001 0.000 0.226 996 N C 1.439 176.893 175.510 -0.094 0.000 1.126 996 N CA 0.035 53.051 53.050 -0.058 0.000 0.846 996 N CB 0.808 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 0.177 121.285 121.223 -0.191 0.000 2.071 997 L HA 0.154 4.493 4.340 -0.001 0.000 0.201 997 L C 0.532 177.297 176.870 -0.175 0.000 1.076 997 L CA 0.515 55.099 54.840 -0.427 0.000 0.755 997 L CB -0.357 41.184 42.059 -0.864 0.000 0.915 997 L HN 0.088 nan 8.230 nan 0.000 0.445 998 L N -0.780 120.387 121.223 -0.092 0.000 0.707 998 L HA -0.260 4.080 4.340 -0.001 0.000 0.358 998 L C 0.277 177.273 176.870 0.210 0.000 1.005 998 L CA -0.128 54.745 54.840 0.055 0.000 1.219 998 L CB -0.678 41.406 42.059 0.043 0.000 0.031 998 L HN 0.022 nan 8.230 nan 0.000 0.135 999 V N 2.344 122.356 119.914 0.162 0.000 3.363 999 V HA 0.345 4.464 4.120 -0.001 0.000 0.270 999 V C 0.126 176.278 176.094 0.096 0.000 1.667 999 V CA 0.320 62.714 62.300 0.156 0.000 1.034 999 V CB 0.940 32.870 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 4.934 4.340 -0.001 0.000 0.258 1000 L C 0.072 176.972 176.870 0.051 0.000 0.995 1000 L CA -0.468 54.411 54.840 0.066 0.000 0.821 1000 L CB 2.707 44.806 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 0.246 4.585 4.340 -0.001 0.000 0.427 1001 R C 0.318 176.635 176.300 0.029 0.000 1.030 1001 R CA -0.321 55.799 56.100 0.034 0.000 1.133 1001 R CB 1.325 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 3.945 3.960 -0.001 0.000 0.242 1002 G HA3 -0.015 3.945 3.960 -0.001 0.000 0.242 1002 G C 0.140 175.051 174.900 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 -0.091 120.317 120.400 0.014 0.000 2.374 1003 K HA 0.034 4.353 4.320 -0.001 0.000 0.196 1003 K C 0.810 177.413 176.600 0.006 0.000 1.023 1003 K CA -0.140 56.152 56.287 0.009 0.000 1.103 1003 K CB -0.058 32.446 32.500 0.007 0.000 0.848 1003 K HN 0.721 nan 8.250 nan 0.000 0.528 1004 N N -0.620 118.084 118.700 0.007 0.000 2.434 1004 N HA -0.034 4.705 4.740 -0.001 0.000 0.266 1004 N C 0.712 176.221 175.510 -0.001 0.000 1.223 1004 N CA -0.461 52.591 53.050 0.003 0.000 0.972 1004 N CB 0.874 39.364 38.487 0.005 0.000 1.207 1004 N HN -0.153 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 -0.187 4.162 4.350 -0.001 0.000 0.202 1005 E C 1.434 178.025 176.600 -0.015 0.000 1.018 1005 E CA 1.765 58.158 56.400 -0.012 0.000 0.834 1005 E CB -0.435 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 0.421 120.980 120.570 -0.018 0.000 2.074 1006 I HA -0.350 3.820 4.170 -0.001 0.000 0.238 1006 I C 2.269 178.374 176.117 -0.020 0.000 1.037 1006 I CA 1.375 62.659 61.300 -0.027 0.000 1.301 1006 I CB -0.458 37.526 38.000 -0.027 0.000 1.016 1006 I HN 0.315 nan 8.210 nan 0.000 0.400 1007 I N -0.002 120.567 120.570 -0.002 0.000 2.286 1007 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 1007 I C 2.508 178.631 176.117 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 0.513 120.315 119.800 0.003 0.000 2.291 1008 Q HA -0.124 4.215 4.340 -0.001 0.000 0.206 1008 Q C 1.793 177.789 176.000 -0.007 0.000 0.976 1008 Q CA 0.900 56.704 55.803 0.000 0.000 0.875 1008 Q CB -0.291 28.444 28.738 -0.004 0.000 0.927 1008 Q HN 0.556 nan 8.270 nan 0.000 0.450 1009 N N -0.629 118.063 118.700 -0.014 0.000 2.395 1009 N HA 0.027 4.767 4.740 -0.001 0.000 0.175 1009 N C 1.440 176.939 175.510 -0.018 0.000 1.029 1009 N CA 0.780 53.816 53.050 -0.023 0.000 0.897 1009 N CB 0.254 38.720 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 4.114 4.320 -0.001 0.000 0.214 1010 A C 2.173 179.773 177.584 0.027 0.000 1.195 1010 A CA 1.704 53.745 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 4.096 4.340 -0.001 0.000 0.211 1011 Q C 2.017 178.038 176.000 0.034 0.000 0.995 1011 Q CA 2.472 58.301 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 4.233 4.340 -0.001 0.000 0.232 1012 R C 1.915 178.218 176.300 0.005 0.000 1.126 1012 R CA 1.340 57.438 56.100 -0.004 0.000 0.963 1012 R CB -0.308 29.976 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 -0.145 4.495 4.640 -0.001 0.000 0.192 1013 D C 1.672 178.005 176.300 0.055 0.000 0.993 1013 D CA 1.552 55.561 54.000 0.015 0.000 0.828 1013 D CB -0.342 40.463 40.800 0.009 0.000 0.968 1013 D HN 0.188 nan 8.370 nan 0.000 0.448 1014 A N 0.335 123.198 122.820 0.071 0.000 2.272 1014 A HA -0.039 4.280 4.320 -0.001 0.000 0.213 1014 A C 2.008 179.686 177.584 0.156 0.000 1.183 1014 A CA 0.855 52.955 52.037 0.104 0.000 0.719 1014 A CB -0.134 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 4.066 4.120 -0.001 0.000 0.270 1015 V C 2.164 178.360 176.094 0.171 0.000 1.418 1015 V CA 1.074 63.489 62.300 0.191 0.000 1.033 1015 V CB -0.336 31.550 31.823 0.106 0.000 0.820 1015 V HN 0.466 nan 8.190 nan 0.000 0.441 1016 T N 1.768 116.385 114.554 0.104 0.000 2.531 1016 T HA -0.336 4.013 4.350 -0.001 0.000 0.261 1016 T C 1.854 176.648 174.700 0.157 0.000 1.141 1016 T CA 2.719 64.866 62.100 0.078 0.000 1.176 1016 T CB -0.416 68.479 68.868 0.044 0.000 0.863 1016 T HN 0.283 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 -0.074 4.265 4.340 -0.001 0.000 0.218 1017 L C 2.104 179.114 176.870 0.233 0.000 1.075 1017 L CA 1.937 56.922 54.840 0.241 0.000 0.767 1017 L CB -1.340 40.843 42.059 0.206 0.000 0.890 1017 L HN 0.309 nan 8.230 nan 0.000 0.434 1018 F N 0.193 120.217 119.950 0.123 0.000 2.045 1018 F HA -0.374 4.153 4.527 -0.001 0.000 0.297 1018 F C 2.628 178.479 175.800 0.084 0.000 1.114 1018 F CA 2.030 60.106 58.000 0.126 0.000 1.207 1018 F CB -1.249 37.876 39.000 0.207 0.000 0.964 1018 F HN 0.298 nan 8.300 nan 0.000 0.486 1019 C N 0.085 119.359 119.300 -0.043 0.000 2.385 1019 C HA -0.310 4.149 4.460 -0.001 0.000 0.275 1019 C C 3.114 178.020 174.990 -0.140 0.000 1.207 1019 C CA 1.265 60.170 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 -0.089 119.203 119.300 -0.014 0.000 2.398 1020 C HA -0.165 4.294 4.460 -0.001 0.000 0.276 1020 C C 2.494 177.476 174.990 -0.015 0.000 1.222 1020 C CA 1.423 60.457 59.018 0.027 0.000 1.746 1020 C CB -1.695 26.122 27.740 0.127 0.000 2.039 1020 C HN 0.696 nan 8.230 nan 0.000 0.470 1021 L N 1.127 122.329 121.223 -0.035 0.000 1.956 1021 L HA -0.143 4.197 4.340 -0.001 0.000 0.216 1021 L C 2.378 179.175 176.870 -0.122 0.000 1.073 1021 L CA 2.053 56.865 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 0.301 nan 8.230 nan 0.000 0.433 1022 L N -0.047 120.982 121.223 -0.323 0.000 2.034 1022 L HA -0.294 4.046 4.340 -0.001 0.000 0.217 1022 L C 2.709 179.501 176.870 -0.130 0.000 1.077 1022 L CA 2.140 56.783 54.840 -0.328 0.000 0.769 1022 L CB -0.678 41.054 42.059 -0.546 0.000 0.890 1022 L HN 0.348 nan 8.230 nan 0.000 0.435 1023 R N -0.772 119.678 120.500 -0.085 0.000 2.075 1023 R HA -0.102 4.238 4.340 -0.001 0.000 0.232 1023 R C 2.468 178.811 176.300 0.072 0.000 1.126 1023 R CA 1.492 57.588 56.100 -0.006 0.000 0.963 1023 R CB -0.558 29.736 30.300 -0.011 0.000 0.858 1023 R HN 0.696 nan 8.270 nan 0.000 0.435 1024 S N 0.543 116.291 115.700 0.079 0.000 2.423 1024 S HA -0.069 4.400 4.470 -0.001 0.000 0.231 1024 S C 1.861 176.621 174.600 0.265 0.000 1.014 1024 S CA 0.600 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 1.257 121.834 120.500 0.129 0.000 2.057 1025 R HA 0.323 4.663 4.340 -0.001 0.000 0.224 1025 R C 1.358 177.751 176.300 0.154 0.000 1.136 1025 R CA 0.550 56.727 56.100 0.129 0.000 0.968 1025 R CB -1.191 29.150 30.300 0.069 0.000 0.863 1025 R HN 0.420 nan 8.270 nan 0.000 0.433 1026 L N 2.355 123.644 121.223 0.109 0.000 2.873 1026 L HA 0.283 4.623 4.340 -0.001 0.000 0.236 1026 L C 0.079 177.037 176.870 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 0.091 0.000 1.603 1026 L HN 0.010 nan 8.230 nan 0.000 0.430 1027 A N -0.491 122.382 122.820 0.088 0.000 2.310 1027 A HA 0.430 4.750 4.320 -0.001 0.000 0.299 1027 A C 1.396 178.967 177.584 -0.021 0.000 1.147 1027 A CA -0.349 51.720 52.037 0.054 0.000 0.818 1027 A CB 0.710 19.757 19.000 0.078 0.000 1.096 1027 A HN 0.443 nan 8.150 nan 0.000 0.495 1028 T N 1.945 116.496 114.554 -0.004 0.000 2.567 1028 T HA -0.265 4.085 4.350 -0.001 0.000 0.261 1028 T C 2.121 176.761 174.700 -0.100 0.000 1.123 1028 T CA 1.986 64.058 62.100 -0.046 0.000 1.166 1028 T CB -0.330 68.522 68.868 -0.027 0.000 0.860 1028 T HN 0.652 nan 8.240 nan 0.000 0.436 1029 R N 0.890 121.315 120.500 -0.124 0.000 2.148 1029 R HA -0.048 4.291 4.340 -0.001 0.000 0.230 1029 R C 2.651 178.802 176.300 -0.248 0.000 1.120 1029 R CA 1.608 57.605 56.100 -0.172 0.000 0.902 1029 R CB -0.869 29.306 30.300 -0.209 0.000 0.839 1029 R HN 0.457 nan 8.270 nan 0.000 0.431 1030 R N -0.229 120.055 120.500 -0.360 0.000 2.196 1030 R HA -0.234 4.106 4.340 -0.001 0.000 0.244 1030 R C 2.283 178.188 176.300 -0.658 0.000 1.121 1030 R CA 2.577 58.349 56.100 -0.545 0.000 0.930 1030 R CB -1.139 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 1.277 121.001 119.914 -0.317 0.000 2.278 1031 V HA -0.284 3.835 4.120 -0.001 0.000 0.251 1031 V C 2.336 178.385 176.094 -0.075 0.000 1.062 1031 V CA 2.090 64.359 62.300 -0.051 0.000 1.038 1031 V CB -0.452 31.460 31.823 0.147 0.000 0.646 1031 V HN 0.299 nan 8.190 nan 0.000 0.447 1032 L N -1.257 119.894 121.223 -0.120 0.000 2.130 1032 L HA -0.065 4.274 4.340 -0.001 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 4.223 4.340 -0.001 0.000 0.198 1033 Q C 2.042 177.960 176.000 -0.135 0.000 0.954 1033 Q CA 0.908 56.644 55.803 -0.113 0.000 0.851 1033 Q CB 0.375 29.039 28.738 -0.124 0.000 0.928 1033 Q HN 0.430 nan 8.270 nan 0.000 0.459 1034 E N -0.446 119.581 120.200 -0.288 0.000 2.051 1034 E HA -0.106 4.243 4.350 -0.001 0.000 0.189 1034 E C -0.294 176.249 176.600 -0.096 0.000 0.979 1034 E CA 0.786 57.003 56.400 -0.306 0.000 0.803 1034 E CB 0.350 29.716 29.700 -0.557 0.000 0.761 1034 E HN 0.404 nan 8.360 nan 0.000 0.451 1035 Y N -0.980 119.372 120.300 0.086 0.000 2.490 1035 Y HA 0.413 4.962 4.550 -0.001 0.000 0.346 1035 Y C -0.494 175.482 175.900 0.126 0.000 1.023 1035 Y CA -1.024 57.178 58.100 0.169 0.000 1.142 1035 Y CB -0.168 38.360 38.460 0.114 0.000 1.126 1035 Y HN -0.251 nan 8.280 nan 0.000 0.647 1036 R N 1.908 122.548 120.500 0.233 0.000 0.838 1036 R HA -0.166 4.174 4.340 -0.001 0.000 0.160 1036 R C 0.120 176.450 176.300 0.049 0.000 0.385 1036 R CA 0.443 56.594 56.100 0.084 0.000 0.212 1036 R CB -1.066 29.236 30.300 0.003 0.000 1.754 1036 R HN 0.739 nan 8.270 nan 0.000 0.594 1037 L N 0.063 121.367 121.223 0.134 0.000 2.444 1037 L HA 0.056 4.396 4.340 -0.001 0.000 0.251 1037 L C 1.396 178.293 176.870 0.046 0.000 1.247 1037 L CA 0.650 55.560 54.840 0.117 0.000 0.825 1037 L CB 0.166 42.380 42.059 0.259 0.000 1.129 1037 L HN 0.347 nan 8.230 nan 0.000 0.527 1038 T N -3.206 111.360 114.554 0.021 0.000 2.906 1038 T HA 0.253 4.603 4.350 -0.001 0.000 0.295 1038 T C 0.392 175.096 174.700 0.006 0.000 1.075 1038 T CA -0.905 61.190 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 0.858 121.252 120.400 -0.011 0.000 2.144 1039 K HA -0.246 4.073 4.320 -0.001 0.000 0.209 1039 K C 2.102 178.730 176.600 0.047 0.000 1.047 1039 K CA 2.419 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 -0.855 118.937 119.800 -0.014 0.000 1.994 1040 Q HA -0.087 4.253 4.340 -0.001 0.000 0.198 1040 Q C 1.950 177.765 176.000 -0.308 0.000 0.976 1040 Q CA 1.565 57.329 55.803 -0.064 0.000 0.828 1040 Q CB -0.324 28.407 28.738 -0.012 0.000 0.894 1040 Q HN 0.381 nan 8.270 nan 0.000 0.432 1041 A N 0.755 123.224 122.820 -0.585 0.000 1.841 1041 A HA -0.233 4.087 4.320 -0.001 0.000 0.216 1041 A C 1.922 179.396 177.584 -0.183 0.000 1.199 1041 A CA 1.554 53.077 52.037 -0.857 0.000 0.621 1041 A CB -1.404 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 4.181 4.527 -0.001 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 -0.507 38.477 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 4.362 4.640 -0.001 0.000 0.196 1043 D C 1.669 178.025 176.300 0.093 0.000 0.999 1043 D CA 1.673 55.793 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 0.503 121.741 121.300 -0.102 0.000 2.408 1044 W HA -0.138 4.522 4.660 -0.001 0.000 0.311 1044 W C 2.138 178.603 176.519 -0.089 0.000 1.190 1044 W CA 1.001 58.314 57.345 -0.052 0.000 1.321 1044 W CB -0.703 28.752 29.460 -0.009 0.000 1.143 1044 W HN -0.210 nan 8.180 nan 0.000 0.501 1045 V N 1.852 121.625 119.914 -0.235 0.000 2.363 1045 V HA -0.383 3.737 4.120 -0.001 0.000 0.254 1045 V C 2.340 178.160 176.094 -0.457 0.000 1.074 1045 V CA 2.157 64.179 62.300 -0.464 0.000 1.069 1045 V CB -1.222 30.379 31.823 -0.370 0.000 0.659 1045 V HN 0.277 nan 8.190 nan 0.000 0.455 1046 L N -0.214 120.771 121.223 -0.397 0.000 1.961 1046 L HA -0.154 4.186 4.340 -0.001 0.000 0.209 1046 L C 2.724 179.464 176.870 -0.215 0.000 1.075 1046 L CA 1.922 56.589 54.840 -0.288 0.000 0.749 1046 L CB -1.116 40.815 42.059 -0.214 0.000 0.890 1046 L HN 0.382 nan 8.230 nan 0.000 0.433 1047 S N 0.072 115.670 115.700 -0.170 0.000 2.421 1047 S HA -0.301 4.168 4.470 -0.001 0.000 0.239 1047 S C 1.926 176.410 174.600 -0.193 0.000 1.054 1047 S CA 2.091 60.215 58.200 -0.127 0.000 1.035 1047 S CB -0.522 62.640 63.200 -0.063 0.000 0.840 1047 S HN 0.450 nan 8.310 nan 0.000 0.475 1048 N N 0.965 119.444 118.700 -0.368 0.000 2.051 1048 N HA -0.054 4.686 4.740 -0.001 0.000 0.192 1048 N C 1.880 177.260 175.510 -0.216 0.000 1.049 1048 N CA 1.882 54.682 53.050 -0.417 0.000 0.845 1048 N CB -0.510 37.497 38.487 -0.800 0.000 1.031 1048 N HN 0.528 nan 8.380 nan 0.000 0.425 1049 I N 1.591 122.050 120.570 -0.185 0.000 2.091 1049 I HA -0.354 3.816 4.170 -0.001 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 -0.684 37.321 38.000 0.007 0.000 1.018 1049 I HN 0.405 nan 8.210 nan 0.000 0.404 1050 E N 1.320 121.522 120.200 0.004 0.000 2.072 1050 E HA -0.364 3.986 4.350 -0.001 0.000 0.218 1050 E C 2.160 178.801 176.600 0.070 0.000 1.051 1050 E CA 2.219 58.638 56.400 0.032 0.000 0.880 1050 E CB -0.254 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 3.981 4.320 -0.001 0.000 0.218 1051 A C 2.246 179.836 177.584 0.009 0.000 1.203 1051 A CA 2.289 54.329 52.037 0.005 0.000 0.638 1051 A CB -1.019 17.967 19.000 -0.022 0.000 0.831 1051 A HN 0.537 nan 8.150 nan 0.000 0.450 1052 Q N -1.948 117.851 119.800 -0.003 0.000 2.062 1052 Q HA -0.247 4.092 4.340 -0.001 0.000 0.209 1052 Q C 1.966 177.941 176.000 -0.040 0.000 0.996 1052 Q CA 1.960 57.750 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 1.359 121.241 119.950 -0.113 0.000 2.027 1053 F HA -0.302 4.225 4.527 -0.001 0.000 0.297 1053 F C 2.041 177.751 175.800 -0.149 0.000 1.129 1053 F CA 1.770 59.663 58.000 -0.178 0.000 1.195 1053 F CB -0.458 38.460 39.000 -0.136 0.000 0.960 1053 F HN 0.000 nan 8.300 nan 0.000 0.485 1054 L N 0.022 121.338 121.223 0.155 0.000 2.197 1054 L HA -0.286 4.054 4.340 -0.001 0.000 0.215 1054 L C 2.412 179.211 176.870 -0.117 0.000 1.095 1054 L CA 1.474 56.341 54.840 0.044 0.000 0.764 1054 L CB -0.729 41.370 42.059 0.066 0.000 0.897 1054 L HN 0.210 nan 8.230 nan 0.000 0.436 1055 R N -1.142 119.261 120.500 -0.162 0.000 2.240 1055 R HA 0.053 4.392 4.340 -0.001 0.000 0.203 1055 R C 1.961 177.995 176.300 -0.443 0.000 1.011 1055 R CA 0.630 56.585 56.100 -0.240 0.000 1.007 1055 R CB -0.025 30.149 30.300 -0.211 0.000 0.911 1055 R HN 0.223 nan 8.270 nan 0.000 0.468 1056 S N 0.717 116.160 115.700 -0.429 0.000 2.593 1056 S HA 0.076 4.546 4.470 -0.001 0.000 0.217 1056 S C 0.715 175.134 174.600 -0.300 0.000 0.966 1056 S CA -0.135 57.818 58.200 -0.412 0.000 0.914 1056 S CB 0.248 63.214 63.200 -0.391 0.000 0.776 1056 S HN -0.029 nan 8.310 nan 0.000 0.523 1057 V N 2.081 121.830 119.914 -0.276 0.000 2.775 1057 V HA 0.204 4.324 4.120 -0.001 0.000 0.299 1057 V C 0.771 176.889 176.094 0.040 0.000 1.062 1057 V CA -0.800 61.409 62.300 -0.150 0.000 1.063 1057 V CB 0.561 32.306 31.823 -0.130 0.000 0.994 1057 V HN 0.030 nan 8.190 nan 0.000 0.483 1058 V N 3.255 123.223 119.914 0.090 0.000 2.924 1058 V HA 0.107 4.226 4.120 -0.001 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 0.113 32.073 31.823 0.228 0.000 1.000 1058 V HN 0.840 nan 8.190 nan 0.000 0.484 1059 H N 3.636 122.671 119.070 -0.058 0.000 2.489 1059 H HA 0.272 4.828 4.556 -0.001 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 1.559 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 0.839 177.925 177.300 -0.358 0.000 1.199 1060 P CA 1.009 63.845 63.100 -0.439 0.000 0.763 1060 P CB 0.678 31.774 31.700 -1.006 0.000 0.790 1061 G N 2.433 111.074 108.800 -0.263 0.000 2.905 1061 G HA2 -0.158 3.801 3.960 -0.001 0.000 0.196 1061 G HA3 -0.158 3.801 3.960 -0.001 0.000 0.196 1061 G C 0.044 174.857 174.900 -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 2.025 122.140 120.200 -0.143 0.000 2.729 1062 E HA 0.071 4.421 4.350 -0.001 0.000 0.246 1062 E C 0.589 177.065 176.600 -0.207 0.000 0.984 1062 E CA 0.407 56.713 56.400 -0.155 0.000 0.951 1062 E CB 0.164 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 5.033 124.535 119.600 -0.164 0.000 3.237 1063 M HA 0.009 4.489 4.480 -0.001 0.000 0.266 1063 M C 1.077 177.273 176.300 -0.174 0.000 1.456 1063 M CA -0.189 55.013 55.300 -0.163 0.000 1.593 1063 M CB -0.481 32.050 32.600 -0.117 0.000 1.129 1063 M HN 0.165 nan 8.290 nan 0.000 0.547 1064 V N 0.974 120.728 119.914 -0.266 0.000 2.594 1064 V HA -0.173 3.946 4.120 -0.001 0.000 0.253 1064 V C 2.344 178.356 176.094 -0.136 0.000 1.069 1064 V CA 2.040 64.178 62.300 -0.270 0.000 1.082 1064 V CB -1.440 30.042 31.823 -0.568 0.000 0.680 1064 V HN 0.811 nan 8.190 nan 0.000 0.469 1065 G N 0.690 109.406 108.800 -0.138 0.000 2.628 1065 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.217 1065 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.217 1065 G C 1.633 176.481 174.900 -0.087 0.000 1.240 1065 G CA 1.621 46.657 45.100 -0.107 0.000 0.792 1065 G HN 0.364 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 3.959 4.120 -0.001 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 0.454 121.654 121.223 -0.038 0.000 2.171 1067 L HA -0.293 4.047 4.340 -0.001 0.000 0.216 1067 L C 2.177 179.075 176.870 0.046 0.000 1.084 1067 L CA 2.608 57.450 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 0.296 nan 8.230 nan 0.000 0.437 1068 A N -1.247 121.626 122.820 0.089 0.000 1.862 1068 A HA 0.190 4.510 4.320 -0.001 0.000 0.211 1068 A C 2.447 180.016 177.584 -0.024 0.000 1.220 1068 A CA 1.180 53.308 52.037 0.151 0.000 0.616 1068 A CB -1.219 17.886 19.000 0.175 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 3.965 4.320 -0.001 0.000 0.221 1069 A C 2.129 179.661 177.584 -0.088 0.000 1.223 1069 A CA 2.264 54.250 52.037 -0.085 0.000 0.658 1069 A CB -0.903 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 -0.820 118.933 119.800 -0.079 0.000 2.079 1070 Q HA -0.092 4.247 4.340 -0.001 0.000 0.200 1070 Q C 2.360 178.308 176.000 -0.087 0.000 0.974 1070 Q CA 1.505 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 0.638 116.236 115.700 -0.171 0.000 2.465 1071 S HA -0.101 4.369 4.470 -0.001 0.000 0.241 1071 S C 1.771 176.235 174.600 -0.225 0.000 1.000 1071 S CA 0.927 58.945 58.200 -0.303 0.000 0.964 1071 S CB -0.087 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 -0.012 120.462 120.570 -0.160 0.000 3.172 1072 I HA 0.106 4.276 4.170 -0.001 0.000 0.278 1072 I C 2.600 178.651 176.117 -0.109 0.000 1.174 1072 I CA 0.568 61.790 61.300 -0.129 0.000 1.445 1072 I CB -0.690 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 0.820 109.558 108.800 -0.102 0.000 2.418 1073 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 1073 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 1073 G C 1.497 176.329 174.900 -0.113 0.000 1.158 1073 G CA 0.524 45.567 45.100 -0.094 0.000 0.771 1073 G HN 0.234 nan 8.290 nan 0.000 0.545 1074 E N 0.985 121.097 120.200 -0.146 0.000 2.000 1074 E HA -0.107 4.243 4.350 -0.001 0.000 0.199 1074 E C 0.067 176.578 176.600 -0.148 0.000 1.011 1074 E CA 1.508 57.779 56.400 -0.214 0.000 0.836 1074 E CB -1.004 28.493 29.700 -0.339 0.000 0.778 1074 E HN 0.288 nan 8.360 nan 0.000 0.462 1075 P HA -0.145 nan 4.420 nan 0.000 0.225 1075 P C 0.716 177.965 177.300 -0.086 0.000 1.141 1075 P CA 1.533 64.579 63.100 -0.090 0.000 0.774 1075 P CB -0.094 31.552 31.700 -0.090 0.000 0.760 1076 A N 0.061 122.827 122.820 -0.089 0.000 1.935 1076 A HA -0.018 4.302 4.320 -0.001 0.000 0.214 1076 A C 1.921 179.469 177.584 -0.061 0.000 1.178 1076 A CA 1.407 53.401 52.037 -0.071 0.000 0.640 1076 A CB -1.449 17.511 19.000 -0.065 0.000 0.825 1076 A HN 0.223 nan 8.150 nan 0.000 0.447 1077 T N 0.137 114.647 114.554 -0.073 0.000 3.361 1077 T HA 0.064 4.414 4.350 -0.001 0.000 0.251 1077 T C 0.938 175.600 174.700 -0.064 0.000 1.131 1077 T CA 0.487 62.547 62.100 -0.066 0.000 1.001 1077 T CB 0.016 68.835 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 4.689 4.340 -0.001 0.000 0.223 1078 Q C 0.244 176.220 176.000 -0.039 0.000 0.828 1078 Q CA 0.139 55.911 55.803 -0.051 0.000 0.967 1078 Q CB 0.454 29.160 28.738 -0.054 0.000 1.139 1078 Q HN 0.568 nan 8.270 nan 0.000 0.497 1079 M N 1.194 120.770 119.600 -0.039 0.000 2.144 1079 M HA 0.339 4.818 4.480 -0.001 0.000 0.356 1079 M C -0.635 175.652 176.300 -0.022 0.000 1.217 1079 M CA 0.433 55.714 55.300 -0.030 0.000 1.087 1079 M CB 1.393 33.973 32.600 -0.033 0.000 1.609 1079 M HN -0.234 nan 8.290 nan 0.000 0.467 1080 T N 3.726 118.270 114.554 -0.016 0.000 3.767 1080 T HA 0.435 4.785 4.350 -0.001 0.000 0.360 1080 T C -0.764 173.933 174.700 -0.005 0.000 1.181 1080 T CA -0.688 61.406 62.100 -0.011 0.000 1.110 1080 T CB 1.366 70.227 68.868 -0.012 0.000 1.201 1080 T HN 0.519 nan 8.240 nan 0.000 0.474 1093 K N 1.600 122.015 120.400 0.026 0.000 2.954 1093 K HA 0.301 4.621 4.320 -0.001 0.000 0.171 1093 K C -0.663 175.957 176.600 0.034 0.000 1.079 1093 K CA -0.344 55.958 56.287 0.024 0.000 0.908 1093 K CB 1.572 34.083 32.500 0.019 0.000 1.142 1093 K HN -0.108 nan 8.250 nan 0.000 0.613 1094 V N -0.084 119.853 119.914 0.037 0.000 3.074 1094 V HA 0.353 4.472 4.120 -0.001 0.000 0.314 1094 V C 0.209 176.328 176.094 0.041 0.000 1.117 1094 V CA -0.966 61.361 62.300 0.047 0.000 1.014 1094 V CB 2.218 34.078 31.823 0.061 0.000 1.057 1094 V HN 0.286 nan 8.190 nan 0.000 0.438 1095 T N 2.947 117.529 114.554 0.046 0.000 2.727 1095 T HA 0.461 4.811 4.350 -0.001 0.000 0.295 1095 T C 0.248 174.973 174.700 0.041 0.000 0.915 1095 T CA -0.012 62.113 62.100 0.042 0.000 1.066 1095 T CB 0.216 69.112 68.868 0.047 0.000 0.891 1095 T HN 0.966 nan 8.240 nan 0.000 0.516 1096 S N 2.587 118.304 115.700 0.029 0.000 2.874 1096 S HA 0.940 5.409 4.470 -0.001 0.000 0.318 1096 S C 0.589 175.195 174.600 0.012 0.000 1.109 1096 S CA -0.392 57.820 58.200 0.020 0.000 0.878 1096 S CB 0.839 64.047 63.200 0.014 0.000 1.307 1096 S HN 1.138 nan 8.310 nan 0.000 0.592 1097 G N -0.283 108.517 108.800 -0.001 0.000 2.914 1097 G HA2 -0.148 3.812 3.960 -0.001 0.000 0.254 1097 G HA3 -0.148 3.812 3.960 -0.001 0.000 0.254 1097 G C 0.665 175.565 174.900 -0.000 0.000 1.449 1097 G CA -0.192 44.904 45.100 -0.007 0.000 0.925 1097 G HN 1.562 nan 8.290 nan 0.000 0.555 1098 V N 2.033 121.945 119.914 -0.003 0.000 2.279 1098 V HA -0.347 3.772 4.120 -0.001 0.000 0.258 1098 V C 1.155 177.261 176.094 0.021 0.000 1.078 1098 V CA 3.723 66.027 62.300 0.007 0.000 1.096 1098 V CB -1.841 29.987 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 65.669 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 0.369 120.892 120.500 0.038 0.000 2.080 1100 R HA -0.141 4.198 4.340 -0.001 0.000 0.236 1100 R C 2.478 178.804 176.300 0.043 0.000 1.137 1100 R CA 1.517 57.646 56.100 0.047 0.000 0.943 1100 R CB -1.906 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 1.076 122.311 121.223 0.020 0.000 2.081 1101 L HA -0.179 4.161 4.340 -0.001 0.000 0.212 1101 L C 2.241 179.132 176.870 0.034 0.000 1.080 1101 L CA 2.225 57.068 54.840 0.006 0.000 0.754 1101 L CB -0.589 41.464 42.059 -0.011 0.000 0.893 1101 L HN 0.362 nan 8.230 nan 0.000 0.433 1102 K N -0.555 119.876 120.400 0.053 0.000 2.025 1102 K HA -0.245 4.074 4.320 -0.001 0.000 0.207 1102 K C 2.124 178.784 176.600 0.100 0.000 1.049 1102 K CA 1.628 57.963 56.287 0.081 0.000 0.933 1102 K CB -0.190 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 0.727 120.986 120.200 0.098 0.000 2.065 1103 E HA -0.237 4.113 4.350 -0.001 0.000 0.201 1103 E C 1.934 178.645 176.600 0.185 0.000 1.016 1103 E CA 2.121 58.597 56.400 0.127 0.000 0.818 1103 E CB -0.112 29.660 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 -0.353 3.817 4.170 -0.001 0.000 0.233 1104 I C 2.493 178.723 176.117 0.188 0.000 1.048 1104 I CA 1.282 62.691 61.300 0.181 0.000 1.313 1104 I CB -0.554 37.417 38.000 -0.047 0.000 1.043 1104 I HN 0.224 nan 8.210 nan 0.000 0.393 1105 L N 0.687 121.966 121.223 0.094 0.000 2.103 1105 L HA -0.299 4.041 4.340 -0.001 0.000 0.215 1105 L C 2.209 179.160 176.870 0.136 0.000 1.080 1105 L CA 1.431 56.324 54.840 0.090 0.000 0.764 1105 L CB -0.854 41.236 42.059 0.052 0.000 0.890 1105 L HN 0.430 nan 8.230 nan 0.000 0.435 1106 N N -0.431 118.360 118.700 0.152 0.000 2.409 1106 N HA -0.044 4.696 4.740 -0.001 0.000 0.179 1106 N C 0.754 176.366 175.510 0.170 0.000 1.032 1106 N CA 0.828 53.972 53.050 0.158 0.000 0.898 1106 N CB 0.402 38.980 38.487 0.151 0.000 0.971 1106 N HN 0.101 nan 8.380 nan 0.000 0.441 1107 V N -0.055 119.988 119.914 0.215 0.000 6.086 1107 V HA -0.253 3.867 4.120 -0.001 0.000 0.331 1107 V C 0.635 176.774 176.094 0.075 0.000 0.467 1107 V CA 0.239 62.655 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 0.066 122.945 122.820 0.100 0.000 2.448 1108 A HA 0.559 4.879 4.320 -0.001 0.000 0.239 1108 A C 1.055 178.624 177.584 -0.025 0.000 1.080 1108 A CA 1.013 53.081 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 -0.269 120.116 120.400 -0.025 0.000 2.391 1109 K HA 0.106 4.426 4.320 -0.001 0.000 0.197 1109 K C 0.145 176.726 176.600 -0.032 0.000 1.087 1109 K CA 0.692 56.945 56.287 -0.057 0.000 1.012 1109 K CB 0.285 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 2.496 121.192 118.700 -0.006 0.000 2.455 1110 N HA 0.080 4.820 4.740 -0.001 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 -0.951 118.662 119.600 0.022 0.000 2.248 1111 M HA 0.058 4.537 4.480 -0.001 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 0.758 33.396 32.600 0.063 0.000 1.759 1111 M HN -0.153 nan 8.290 nan 0.000 0.452 1112 K N 1.370 121.794 120.400 0.040 0.000 2.062 1112 K HA 0.021 4.340 4.320 -0.001 0.000 0.205 1112 K C 0.285 176.906 176.600 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 3.173 117.754 114.554 0.045 0.000 3.254 1113 T HA 0.139 4.489 4.350 -0.001 0.000 0.385 1113 T C -2.045 172.688 174.700 0.055 0.000 1.528 1113 T CA -1.463 60.666 62.100 0.047 0.000 1.212 1113 T CB 1.384 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 0.438 177.763 177.300 0.042 0.000 1.189 1114 P CA 0.575 63.697 63.100 0.036 0.000 0.921 1114 P CB 0.009 31.718 31.700 0.016 0.000 0.756 1115 S N -1.807 113.914 115.700 0.035 0.000 3.400 1115 S HA -0.160 4.309 4.470 -0.001 0.000 0.854 1115 S C -0.845 173.778 174.600 0.037 0.000 1.167 1115 S CA -0.155 58.071 58.200 0.044 0.000 0.985 1115 S CB -1.116 62.127 63.200 0.072 0.000 0.666 1115 S HN 0.343 nan 8.310 nan 0.000 0.276 1116 L N 4.036 125.283 121.223 0.040 0.000 2.410 1116 L HA 0.710 5.050 4.340 -0.001 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 4.300 118.919 114.554 0.108 0.000 2.821 1117 T HA 0.530 4.879 4.350 -0.001 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 0.736 69.715 68.868 0.184 0.000 0.968 1117 T HN 0.464 nan 8.240 nan 0.000 0.462 1118 V N 1.754 121.583 119.914 -0.142 0.000 2.716 1118 V HA 0.782 4.902 4.120 -0.001 0.000 0.304 1118 V C -1.261 174.661 176.094 -0.287 0.000 1.053 1118 V CA -0.910 61.349 62.300 -0.068 0.000 0.984 1118 V CB 0.706 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 2.184 122.501 120.300 0.029 0.000 2.524 1119 Y HA 0.758 5.307 4.550 -0.001 0.000 0.344 1119 Y C -0.127 175.802 175.900 0.050 0.000 1.012 1119 Y CA -1.226 56.891 58.100 0.029 0.000 1.068 1119 Y CB 1.556 40.041 38.460 0.041 0.000 1.249 1119 Y HN 0.521 nan 8.280 nan 0.000 0.468 1120 L N 1.138 122.489 121.223 0.214 0.000 2.439 1120 L HA 0.211 4.550 4.340 -0.001 0.000 0.261 1120 L C 0.463 177.432 176.870 0.165 0.000 1.153 1120 L CA -0.533 54.407 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 2.455 122.750 120.200 0.157 0.000 2.452 1121 E HA -0.062 4.288 4.350 -0.001 0.000 0.261 1121 E C -1.517 175.151 176.600 0.113 0.000 0.987 1121 E CA -0.968 55.517 56.400 0.142 0.000 0.926 1121 E CB 0.550 30.367 29.700 0.195 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 2.067 65.183 63.100 0.026 0.000 0.995 1122 P CB -0.065 31.636 31.700 0.002 0.000 0.762 1123 G N -0.557 108.197 108.800 -0.077 0.000 2.586 1123 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 1123 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 1123 G C 0.559 175.349 174.900 -0.184 0.000 1.216 1123 G CA 0.842 45.825 45.100 -0.194 0.000 0.786 1123 G HN 0.425 nan 8.290 nan 0.000 0.583 1124 H N 1.357 120.454 119.070 0.045 0.000 3.629 1124 H HA 0.367 4.922 4.556 -0.001 0.000 0.245 1124 H C 1.119 176.498 175.328 0.084 0.000 1.599 1124 H CA 0.421 56.501 56.048 0.055 0.000 1.557 1124 H CB -0.192 29.595 29.762 0.042 0.000 1.823 1124 H HN 0.348 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 4.766 4.320 -0.001 0.000 0.239 1125 A C 1.873 179.576 177.584 0.198 0.000 1.230 1125 A CA 0.535 52.668 52.037 0.159 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 -0.885 122.057 122.820 0.204 0.000 2.141 1126 A HA 0.237 4.556 4.320 -0.001 0.000 0.201 1126 A C 0.042 177.789 177.584 0.272 0.000 1.344 1126 A CA -0.014 52.169 52.037 0.244 0.000 0.971 1126 A CB 0.129 19.219 19.000 0.150 0.000 1.035 1126 A HN 0.190 nan 8.150 nan 0.000 0.480 1127 D N 1.649 122.160 120.400 0.185 0.000 2.422 1127 D HA 0.001 4.641 4.640 -0.001 0.000 0.283 1127 D C 1.301 177.584 176.300 -0.029 0.000 1.428 1127 D CA 0.541 54.595 54.000 0.091 0.000 1.117 1127 D CB 0.897 41.749 40.800 0.087 0.000 1.120 1127 D HN 0.551 nan 8.370 nan 0.000 0.543 1128 Q N 2.745 122.488 119.800 -0.095 0.000 2.268 1128 Q HA -0.261 4.079 4.340 -0.001 0.000 0.210 1128 Q C 1.556 177.251 176.000 -0.509 0.000 0.988 1128 Q CA 1.794 57.287 55.803 -0.516 0.000 0.883 1128 Q CB 0.071 28.651 28.738 -0.263 0.000 0.911 1128 Q HN 0.613 nan 8.270 nan 0.000 0.430 1129 E N -0.514 119.532 120.200 -0.257 0.000 2.014 1129 E HA -0.271 4.078 4.350 -0.001 0.000 0.190 1129 E C 1.995 178.481 176.600 -0.190 0.000 0.980 1129 E CA 0.956 57.231 56.400 -0.208 0.000 0.807 1129 E CB -0.237 29.387 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 -0.137 0.000 2.250 1130 Q HA -0.308 4.032 4.340 -0.001 0.000 0.215 1130 Q C 1.724 177.654 176.000 -0.118 0.000 1.002 1130 Q CA 2.671 58.402 55.803 -0.120 0.000 0.910 1130 Q CB -0.489 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 0.102 122.831 122.820 -0.153 0.000 1.872 1131 A HA -0.165 4.155 4.320 -0.001 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 4.111 4.320 -0.001 0.000 0.213 1132 K C 1.862 178.371 176.600 -0.152 0.000 1.051 1132 K CA 1.811 57.970 56.287 -0.213 0.000 0.929 1132 K CB -0.619 31.746 32.500 -0.226 0.000 0.715 1132 K HN 0.501 nan 8.250 nan 0.000 0.451 1133 L N 0.754 121.898 121.223 -0.131 0.000 1.943 1133 L HA -0.235 4.105 4.340 -0.001 0.000 0.215 1133 L C 2.394 179.217 176.870 -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 -0.370 120.158 120.570 -0.070 0.000 2.479 1134 I HA -0.326 3.843 4.170 -0.001 0.000 0.258 1134 I C 2.815 178.909 176.117 -0.039 0.000 1.165 1134 I CA 1.076 62.349 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 4.174 4.340 -0.001 0.000 0.228 1135 R C 2.523 178.805 176.300 -0.030 0.000 1.144 1135 R CA 2.303 58.375 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 4.406 4.470 -0.001 0.000 0.228 1136 S C 2.267 176.850 174.600 -0.029 0.000 1.027 1136 S CA 0.900 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 1.640 124.441 122.820 -0.032 0.000 1.972 1137 A HA 0.067 4.386 4.320 -0.001 0.000 0.219 1137 A C 2.139 179.720 177.584 -0.004 0.000 1.169 1137 A CA 1.409 53.433 52.037 -0.023 0.000 0.635 1137 A CB -0.625 18.359 19.000 -0.027 0.000 0.810 1137 A HN 0.594 nan 8.150 nan 0.000 0.446 1138 I N -1.257 119.315 120.570 0.004 0.000 2.499 1138 I HA -0.013 4.157 4.170 -0.001 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 -0.324 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 2.520 122.747 120.200 0.046 0.000 2.752 1139 E HA -0.202 4.147 4.350 -0.001 0.000 0.241 1139 E C 0.075 176.726 176.600 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 3.299 122.372 119.070 0.005 0.000 2.998 1140 H HA 0.005 4.561 4.556 -0.001 0.000 0.353 1140 H C -0.930 174.398 175.328 -0.001 0.000 1.099 1140 H CA 1.026 57.073 56.048 -0.002 0.000 1.393 1140 H CB 0.671 30.430 29.762 -0.004 0.000 1.343 1140 H HN 0.395 nan 8.280 nan 0.000 0.609 1141 T N 4.426 118.593 114.554 -0.645 0.000 3.798 1141 T HA 0.232 4.582 4.350 -0.001 0.000 0.339 1141 T C -0.513 173.909 174.700 -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 0.542 114.882 114.554 -0.356 0.000 2.884 1142 T HA 0.606 4.956 4.350 -0.001 0.000 0.277 1142 T C 1.313 175.948 174.700 -0.108 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 -0.084 0.000 1.113 1142 T HN 0.187 nan 8.240 nan 0.000 0.554 1143 L N 0.630 121.815 121.223 -0.063 0.000 2.056 1143 L HA 0.164 4.503 4.340 -0.001 0.000 0.207 1143 L C 2.667 179.519 176.870 -0.031 0.000 1.078 1143 L CA 1.828 56.642 54.840 -0.044 0.000 0.749 1143 L CB -1.239 40.810 42.059 -0.018 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 4.095 4.320 -0.001 0.000 0.212 1144 K C 1.999 178.590 176.600 -0.015 0.000 1.050 1144 K CA 1.895 58.177 56.287 -0.008 0.000 0.927 1144 K CB -0.293 32.209 32.500 0.003 0.000 0.714 1144 K HN 0.578 nan 8.250 nan 0.000 0.447 1145 S N -0.665 115.019 115.700 -0.027 0.000 2.584 1145 S HA -0.051 4.419 4.470 -0.001 0.000 0.240 1145 S C 1.288 175.872 174.600 -0.028 0.000 0.975 1145 S CA 1.040 59.224 58.200 -0.028 0.000 0.949 1145 S CB 0.224 63.398 63.200 -0.042 0.000 0.761 1145 S HN 0.171 nan 8.310 nan 0.000 0.536 1146 V N -0.385 119.510 119.914 -0.031 0.000 3.426 1146 V HA 0.181 4.301 4.120 -0.001 0.000 0.279 1146 V C 0.446 176.526 176.094 -0.022 0.000 1.544 1146 V CA 0.195 62.476 62.300 -0.030 0.000 1.017 1146 V CB 0.043 31.839 31.823 -0.046 0.000 0.821 1146 V HN 0.389 nan 8.190 nan 0.000 0.432 1147 T N 1.835 116.378 114.554 -0.017 0.000 2.794 1147 T HA 0.447 4.796 4.350 -0.001 0.000 0.296 1147 T C 1.272 175.971 174.700 -0.001 0.000 0.949 1147 T CA 0.162 62.257 62.100 -0.008 0.000 1.101 1147 T CB 1.742 70.608 68.868 -0.003 0.000 0.905 1147 T HN 0.072 nan 8.240 nan 0.000 0.516 1148 I N 1.464 122.036 120.570 0.003 0.000 2.188 1148 I HA 0.233 4.402 4.170 -0.001 0.000 0.237 1148 I C 1.351 177.476 176.117 0.013 0.000 1.073 1148 I CA 0.564 61.869 61.300 0.008 0.000 1.359 1148 I CB -0.112 37.895 38.000 0.012 0.000 1.083 1148 I HN 0.648 nan 8.210 nan 0.000 0.412 1149 A N -0.231 122.601 122.820 0.020 0.000 2.583 1149 A HA 0.700 5.020 4.320 -0.001 0.000 0.289 1149 A C -0.853 176.752 177.584 0.035 0.000 1.151 1149 A CA -0.234 51.819 52.037 0.026 0.000 0.695 1149 A CB 1.473 20.491 19.000 0.031 0.000 1.290 1149 A HN 0.230 nan 8.150 nan 0.000 0.419 1150 S N -0.437 115.286 115.700 0.039 0.000 2.599 1150 S HA 0.869 5.338 4.470 -0.001 0.000 0.287 1150 S C -0.930 173.714 174.600 0.073 0.000 1.105 1150 S CA -0.541 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 0.312 120.584 120.200 0.120 0.000 2.446 1151 E HA 0.587 4.936 4.350 -0.001 0.000 0.276 1151 E C -1.335 175.386 176.600 0.201 0.000 0.969 1151 E CA -0.881 55.619 56.400 0.166 0.000 0.800 1151 E CB 2.238 32.149 29.700 0.352 0.000 1.341 1151 E HN 0.633 nan 8.360 nan 0.000 0.460 1152 I N 2.490 123.165 120.570 0.175 0.000 2.583 1152 I HA 0.271 4.441 4.170 -0.001 0.000 0.276 1152 I C -1.302 174.992 176.117 0.296 0.000 1.089 1152 I CA -0.552 60.880 61.300 0.219 0.000 1.103 1152 I CB 0.341 38.390 38.000 0.083 0.000 1.209 1152 I HN 0.373 nan 8.210 nan 0.000 0.484 1153 Y N 3.512 123.922 120.300 0.183 0.000 2.392 1153 Y HA 0.262 4.811 4.550 -0.001 0.000 0.323 1153 Y C -0.112 175.970 175.900 0.303 0.000 1.291 1153 Y CA -0.657 57.569 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 2.047 122.524 120.300 0.294 0.000 2.595 1154 Y HA 0.301 4.851 4.550 -0.001 0.000 0.336 1154 Y C -0.897 175.001 175.900 -0.004 0.000 0.996 1154 Y CA -0.791 57.316 58.100 0.011 0.000 1.260 1154 Y CB 0.157 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 8.680 128.820 120.400 -0.433 0.000 2.454 1155 D HA 0.240 4.879 4.640 -0.001 0.000 0.247 1155 D C -2.169 173.846 176.300 -0.475 0.000 1.129 1155 D CA -1.721 52.081 54.000 -0.329 0.000 0.877 1155 D CB 2.312 43.033 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 0.164 177.356 177.300 -0.180 0.000 1.166 1156 P CA 0.227 63.089 63.100 -0.396 0.000 0.812 1156 P CB 0.834 32.320 31.700 -0.356 0.000 0.857 1157 D N 1.864 122.190 120.400 -0.123 0.000 2.479 1157 D HA 0.126 4.766 4.640 -0.001 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 0.590 41.366 40.800 -0.041 0.000 1.022 1157 D HN 0.035 nan 8.370 nan 0.000 0.515 1158 P HA -0.148 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 0.594 63.713 63.100 0.031 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 4.449 4.340 -0.001 0.000 0.199 1159 R C 0.554 176.874 176.300 0.034 0.000 0.984 1159 R CA 0.617 56.742 56.100 0.043 0.000 1.015 1159 R CB 0.207 30.504 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 4.721 4.470 -0.001 0.000 0.275 1160 S C -0.444 174.151 174.600 -0.008 0.000 1.175 1160 S CA -0.921 57.283 58.200 0.007 0.000 0.982 1160 S CB 2.047 65.246 63.200 -0.001 0.000 1.093 1160 S HN -0.099 nan 8.310 nan 0.000 0.472 1161 T N 2.444 116.991 114.554 -0.012 0.000 2.860 1161 T HA 0.257 4.606 4.350 -0.001 0.000 0.299 1161 T C 1.492 176.178 174.700 -0.023 0.000 1.045 1161 T CA -0.509 61.571 62.100 -0.033 0.000 1.071 1161 T CB 0.950 69.786 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 0.121 4.241 4.120 -0.001 0.000 0.264 1162 V C 0.800 176.904 176.094 0.018 0.000 1.149 1162 V CA 0.846 63.156 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 4.386 4.170 -0.001 0.000 0.293 1163 I C -0.868 175.235 176.117 -0.024 0.000 0.992 1163 I CA -1.737 59.539 61.300 -0.040 0.000 1.268 1163 I CB 1.672 39.586 38.000 -0.142 0.000 1.387 1163 I HN 0.018 nan 8.210 nan 0.000 0.478 1164 P HA -0.113 nan 4.420 nan 0.000 0.220 1164 P C 0.799 178.095 177.300 -0.007 0.000 1.152 1164 P CA 1.254 64.354 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 -0.163 120.029 120.200 -0.012 0.000 2.418 1165 E HA -0.088 4.262 4.350 -0.001 0.000 0.197 1165 E C 0.423 177.011 176.600 -0.020 0.000 1.026 1165 E CA 0.592 56.985 56.400 -0.012 0.000 0.862 1165 E CB -0.216 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 0.099 120.480 120.400 -0.031 0.000 2.395 1166 D HA 0.032 4.672 4.640 -0.001 0.000 0.213 1166 D C 1.059 177.351 176.300 -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 4.124 4.350 -0.001 0.000 0.198 1167 E C 1.680 178.283 176.600 0.004 0.000 1.007 1167 E CA 0.960 57.361 56.400 0.000 0.000 0.809 1167 E CB 0.141 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 0.636 120.832 120.200 -0.006 0.000 2.033 1168 E HA -0.237 4.112 4.350 -0.001 0.000 0.199 1168 E C 2.195 178.776 176.600 -0.032 0.000 1.011 1168 E CA 1.280 57.670 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 1.041 121.591 120.570 -0.033 0.000 2.181 1169 I HA -0.359 3.810 4.170 -0.001 0.000 0.247 1169 I C 2.428 178.550 176.117 0.009 0.000 1.081 1169 I CA 1.210 62.483 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 0.135 120.742 120.570 0.062 0.000 2.202 1170 I HA -0.295 3.874 4.170 -0.001 0.000 0.242 1170 I C 2.629 178.877 176.117 0.217 0.000 1.091 1170 I CA 1.513 62.896 61.300 0.139 0.000 1.368 1170 I CB -0.527 37.544 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 -0.139 4.201 4.340 -0.001 0.000 0.202 1171 Q C 2.019 178.130 176.000 0.184 0.000 0.978 1171 Q CA 1.231 57.145 55.803 0.185 0.000 0.844 1171 Q CB -0.210 28.571 28.738 0.072 0.000 0.898 1171 Q HN 0.524 nan 8.270 nan 0.000 0.426 1172 L N 0.958 122.173 121.223 -0.013 0.000 2.749 1172 L HA -0.062 4.277 4.340 -0.001 0.000 0.245 1172 L C 0.537 177.204 176.870 -0.338 0.000 1.156 1172 L CA 0.250 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 4.816 4.556 -0.001 0.000 0.239 1173 H C -0.366 174.341 175.328 -1.036 0.000 1.388 1173 H CA -0.194 55.540 56.048 -0.524 0.000 1.148 1173 H CB 0.172 29.572 29.762 -0.604 0.000 1.637 1173 H HN 0.216 nan 8.280 nan 0.000 0.542 1174 F N -0.833 119.143 119.950 0.043 0.000 3.033 1174 F HA 0.028 4.555 4.527 -0.001 0.000 0.332 1174 F C 0.904 176.706 175.800 0.003 0.000 1.266 1174 F CA -0.462 57.553 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 0.091 0.000 2.730 1175 S HA 0.841 5.310 4.470 -0.001 0.000 0.284 1175 S C -0.378 174.239 174.600 0.028 0.000 1.153 1175 S CA -0.602 57.630 58.200 0.053 0.000 0.995 1175 S CB 1.984 65.195 63.200 0.018 0.000 1.058 1175 S HN 0.175 nan 8.310 nan 0.000 0.552 1188 Q N 1.378 121.158 119.800 -0.033 0.000 2.283 1188 Q HA 0.253 4.593 4.340 -0.001 0.000 0.301 1188 Q C -0.365 175.644 176.000 0.014 0.000 1.063 1188 Q CA 0.551 56.355 55.803 0.002 0.000 0.952 1188 Q CB 0.826 29.561 28.738 -0.005 0.000 1.166 1188 Q HN 0.437 nan 8.270 nan 0.000 0.381 1189 S N 2.661 118.388 115.700 0.045 0.000 2.669 1189 S HA 0.361 4.830 4.470 -0.001 0.000 0.270 1189 S C -1.706 172.877 174.600 -0.028 0.000 1.225 1189 S CA -1.511 56.719 58.200 0.050 0.000 0.991 1189 S CB 0.744 64.034 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 -0.618 176.392 177.300 -0.483 0.000 1.223 1190 P CA 0.061 62.908 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 1.306 122.557 121.300 -0.081 0.000 2.335 1191 W HA 0.397 5.056 4.660 -0.001 0.000 0.306 1191 W C 0.167 176.680 176.519 -0.010 0.000 1.216 1191 W CA -0.881 56.456 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 5.969 127.342 121.223 0.249 0.000 2.282 1192 L HA 0.533 4.873 4.340 -0.001 0.000 0.288 1192 L C -0.931 176.037 176.870 0.162 0.000 1.033 1192 L CA -0.884 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 6.040 127.315 121.223 0.087 0.000 2.275 1193 L HA 0.564 4.904 4.340 -0.001 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 0.776 42.840 42.059 0.009 0.000 1.193 1193 L HN 0.793 nan 8.230 nan 0.000 0.426 1194 R N 5.818 126.363 120.500 0.074 0.000 2.451 1194 R HA 0.594 4.934 4.340 -0.001 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 31.228 30.300 0.008 0.000 1.174 1194 R HN 0.746 nan 8.270 nan 0.000 0.455 1195 L N 2.938 124.177 121.223 0.026 0.000 2.325 1195 L HA 0.503 4.842 4.340 -0.001 0.000 0.278 1195 L C -0.119 176.764 176.870 0.022 0.000 1.023 1195 L CA -0.656 54.198 54.840 0.025 0.000 0.811 1195 L CB 1.868 43.933 42.059 0.011 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 4.864 4.350 -0.001 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 1.496 31.213 29.700 0.029 0.000 1.131 1196 E HN 0.481 nan 8.360 nan 0.000 0.411 1197 L N 2.914 124.138 121.223 0.001 0.000 2.334 1197 L HA 0.360 4.700 4.340 -0.001 0.000 0.275 1197 L C 0.222 177.089 176.870 -0.006 0.000 1.036 1197 L CA -1.040 53.794 54.840 -0.009 0.000 0.807 1197 L CB 1.239 43.282 42.059 -0.026 0.000 1.231 1197 L HN 0.545 nan 8.230 nan 0.000 0.438 1198 D N 1.512 121.907 120.400 -0.008 0.000 2.348 1198 D HA 0.035 4.675 4.640 -0.001 0.000 0.253 1198 D C 0.936 177.231 176.300 -0.008 0.000 1.161 1198 D CA 0.138 54.135 54.000 -0.005 0.000 0.876 1198 D CB 1.159 41.957 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 4.254 4.340 -0.001 0.000 0.219 1199 R C 1.579 177.875 176.300 -0.007 0.000 1.080 1199 R CA 1.054 57.150 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 0.495 123.313 122.820 -0.004 0.000 1.835 1200 A HA 0.002 4.322 4.320 -0.001 0.000 0.213 1200 A C 2.275 179.859 177.584 -0.001 0.000 1.210 1200 A CA 1.186 53.223 52.037 -0.001 0.000 0.605 1200 A CB -0.886 18.116 19.000 0.003 0.000 0.860 1200 A HN 0.387 nan 8.150 nan 0.000 0.447 1201 A N -0.861 121.959 122.820 -0.001 0.000 1.908 1201 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 1201 A C 2.211 179.788 177.584 -0.011 0.000 1.181 1201 A CA 2.192 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 4.336 4.480 -0.001 0.000 0.261 1202 M C 1.859 178.139 176.300 -0.034 0.000 1.066 1202 M CA 1.406 56.685 55.300 -0.035 0.000 1.107 1202 M CB -1.542 31.035 32.600 -0.038 0.000 1.356 1202 M HN 0.456 nan 8.290 nan 0.000 0.406 1203 N N 0.473 119.158 118.700 -0.025 0.000 2.135 1203 N HA -0.149 4.590 4.740 -0.001 0.000 0.186 1203 N C 1.446 176.936 175.510 -0.033 0.000 1.027 1203 N CA 1.183 54.216 53.050 -0.028 0.000 0.849 1203 N CB -0.440 38.034 38.487 -0.021 0.000 1.002 1203 N HN 0.422 nan 8.380 nan 0.000 0.425 1204 D N 1.295 121.684 120.400 -0.018 0.000 2.137 1204 D HA -0.162 4.478 4.640 -0.001 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 2.018 122.406 120.400 -0.020 0.000 2.310 1205 K HA 0.088 4.408 4.320 -0.001 0.000 0.290 1205 K C -0.564 176.004 176.600 -0.054 0.000 1.077 1205 K CA -0.397 55.869 56.287 -0.035 0.000 0.922 1205 K CB 0.804 33.299 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 -0.110 4.529 4.640 -0.001 0.000 0.283 1206 D C -0.242 176.020 176.300 -0.063 0.000 1.470 1206 D CA 1.054 55.014 54.000 -0.066 0.000 1.126 1206 D CB 0.020 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 1.492 122.677 121.223 -0.063 0.000 2.464 1207 L HA 0.248 4.587 4.340 -0.001 0.000 0.266 1207 L C -0.091 176.732 176.870 -0.077 0.000 0.965 1207 L CA -0.472 54.324 54.840 -0.074 0.000 0.833 1207 L CB 2.586 44.598 42.059 -0.078 0.000 1.296 1207 L HN 0.026 nan 8.230 nan 0.000 0.405 1208 T N 3.166 117.665 114.554 -0.092 0.000 2.855 1208 T HA 0.275 4.625 4.350 -0.001 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 2.157 121.653 119.600 -0.173 0.000 2.113 1209 M HA -0.133 4.346 4.480 -0.001 0.000 0.255 1209 M C 2.525 178.438 176.300 -0.646 0.000 1.073 1209 M CA 2.170 57.266 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 -0.328 108.229 108.800 -0.405 0.000 2.491 1210 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.218 1210 G HA3 -0.274 3.685 3.960 -0.001 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 -0.093 119.567 119.800 -0.234 0.000 2.077 1211 Q HA -0.141 4.198 4.340 -0.001 0.000 0.206 1211 Q C 2.876 178.733 176.000 -0.238 0.000 0.989 1211 Q CA 1.869 57.565 55.803 -0.179 0.000 0.853 1211 Q CB -0.490 28.171 28.738 -0.128 0.000 0.907 1211 Q HN 0.449 nan 8.270 nan 0.000 0.418 1212 V N 0.717 120.446 119.914 -0.308 0.000 2.223 1212 V HA -0.224 3.895 4.120 -0.001 0.000 0.244 1212 V C 2.345 178.213 176.094 -0.377 0.000 1.045 1212 V CA 2.078 64.200 62.300 -0.296 0.000 1.000 1212 V CB -1.644 30.003 31.823 -0.294 0.000 0.635 1212 V HN 0.544 nan 8.190 nan 0.000 0.445 1213 G N -0.690 107.671 108.800 -0.732 0.000 2.513 1213 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.219 1213 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.219 1213 G C 1.493 176.159 174.900 -0.391 0.000 1.160 1213 G CA 1.142 45.727 45.100 -0.858 0.000 0.767 1213 G HN 0.601 nan 8.290 nan 0.000 0.571 1214 E N -0.612 119.379 120.200 -0.347 0.000 2.347 1214 E HA -0.005 4.345 4.350 -0.001 0.000 0.196 1214 E C 2.555 179.134 176.600 -0.035 0.000 1.008 1214 E CA 0.099 56.469 56.400 -0.051 0.000 0.852 1214 E CB 0.111 29.817 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 4.387 4.340 -0.001 0.000 0.220 1215 R C 1.806 178.100 176.300 -0.010 0.000 1.091 1215 R CA 0.842 56.912 56.100 -0.050 0.000 0.986 1215 R CB -0.178 30.078 30.300 -0.075 0.000 0.888 1215 R HN 0.129 nan 8.270 nan 0.000 0.444 1216 I N 0.240 120.809 120.570 -0.002 0.000 2.252 1216 I HA -0.242 3.928 4.170 -0.001 0.000 0.245 1216 I C 2.286 178.536 176.117 0.222 0.000 1.102 1216 I CA 1.257 62.626 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 1.174 121.666 120.400 0.153 0.000 1.991 1217 K HA -0.242 4.077 4.320 -0.001 0.000 0.212 1217 K C 1.957 178.659 176.600 0.171 0.000 1.049 1217 K CA 1.891 58.292 56.287 0.191 0.000 0.932 1217 K CB -0.164 32.445 32.500 0.181 0.000 0.717 1217 K HN 0.430 nan 8.250 nan 0.000 0.441 1218 Q N -0.388 119.472 119.800 0.100 0.000 2.491 1218 Q HA -0.028 4.312 4.340 -0.001 0.000 0.214 1218 Q C 0.534 176.543 176.000 0.015 0.000 0.970 1218 Q CA 0.936 56.774 55.803 0.059 0.000 0.960 1218 Q CB 0.346 29.104 28.738 0.033 0.000 0.996 1218 Q HN 0.124 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 4.469 4.350 -0.001 0.000 0.239 1219 T C 0.294 174.823 174.700 -0.285 0.000 1.008 1219 T CA 0.322 62.306 62.100 -0.193 0.000 1.143 1219 T CB 0.049 68.706 68.868 -0.351 0.000 0.894 1219 T HN 0.355 nan 8.240 nan 0.000 0.451 1220 F N 1.903 121.869 119.950 0.028 0.000 2.645 1220 F HA 0.428 4.955 4.527 -0.001 0.000 0.300 1220 F C 1.336 177.160 175.800 0.041 0.000 1.115 1220 F CA -0.820 57.201 58.000 0.035 0.000 1.355 1220 F CB -0.464 38.562 39.000 0.042 0.000 1.026 1220 F HN -0.008 nan 8.300 nan 0.000 0.536 1221 K N 0.438 120.934 120.400 0.159 0.000 4.362 1221 K HA -0.368 3.952 4.320 -0.001 0.000 0.360 1221 K C 0.056 176.736 176.600 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 0.227 nan 8.250 nan 0.000 0.740 1222 N N 0.721 119.493 118.700 0.120 0.000 2.648 1222 N HA 0.158 4.898 4.740 -0.001 0.000 0.261 1222 N C -1.787 173.785 175.510 0.102 0.000 1.138 1222 N CA 0.057 53.168 53.050 0.103 0.000 0.804 1222 N CB 1.055 39.582 38.487 0.067 0.000 1.237 1222 N HN 0.489 nan 8.380 nan 0.000 0.532 1223 D N 1.680 122.153 120.400 0.120 0.000 4.386 1223 D HA 0.004 4.644 4.640 -0.001 0.000 0.140 1223 D C -1.183 175.171 176.300 0.089 0.000 0.722 1223 D CA -0.290 53.772 54.000 0.102 0.000 0.660 1223 D CB -0.982 39.885 40.800 0.112 0.000 1.649 1223 D HN 0.275 nan 8.370 nan 0.000 0.401 1224 L N 0.631 121.906 121.223 0.087 0.000 2.830 1224 L HA 0.625 4.965 4.340 -0.001 0.000 0.259 1224 L C -2.433 174.517 176.870 0.134 0.000 0.926 1224 L CA -0.722 54.131 54.840 0.023 0.000 0.993 1224 L CB 1.620 43.556 42.059 -0.204 0.000 1.589 1224 L HN -0.028 nan 8.230 nan 0.000 0.460 1225 F N 5.362 125.280 119.950 -0.054 0.000 2.422 1225 F HA 0.882 5.409 4.527 -0.001 0.000 0.333 1225 F C -0.845 174.928 175.800 -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 40.640 39.000 -0.052 0.000 1.156 1225 F HN 0.290 nan 8.300 nan 0.000 0.483 1226 V N 6.463 126.075 119.914 -0.504 0.000 2.876 1226 V HA 0.620 4.740 4.120 -0.001 0.000 0.312 1226 V C -0.428 175.203 176.094 -0.772 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 2.313 122.579 120.570 -0.507 0.000 2.918 1227 I HA 0.636 4.806 4.170 -0.001 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 -0.686 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 2.281 123.495 121.300 -0.145 0.000 2.988 1228 W HA 0.737 5.397 4.660 -0.001 0.000 0.355 1228 W C -1.271 175.301 176.519 0.088 0.000 1.233 1228 W CA -0.936 56.393 57.345 -0.026 0.000 1.176 1228 W CB 0.157 29.590 29.460 -0.045 0.000 1.477 1228 W HN 0.460 nan 8.180 nan 0.000 0.582 1229 S N -0.100 115.792 115.700 0.320 0.000 2.646 1229 S HA 0.452 4.921 4.470 -0.001 0.000 0.276 1229 S C -0.364 174.394 174.600 0.262 0.000 1.222 1229 S CA -0.880 57.425 58.200 0.175 0.000 1.014 1229 S CB 1.411 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 0.696 120.969 120.200 0.122 0.000 2.354 1230 E HA 0.063 4.413 4.350 -0.001 0.000 0.269 1230 E C 0.170 176.831 176.600 0.102 0.000 1.036 1230 E CA -0.372 56.104 56.400 0.128 0.000 0.876 1230 E CB 0.414 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 2.041 122.498 120.400 0.095 0.000 2.322 1231 D HA -0.190 4.450 4.640 -0.001 0.000 0.210 1231 D C 1.026 177.344 176.300 0.031 0.000 0.983 1231 D CA 0.825 54.855 54.000 0.050 0.000 0.902 1231 D CB 0.162 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 0.859 119.577 118.700 0.030 0.000 2.135 1232 N HA -0.080 4.660 4.740 -0.001 0.000 0.186 1232 N C 0.334 175.852 175.510 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 0.906 121.317 120.400 0.017 0.000 2.429 1233 D HA -0.110 4.530 4.640 -0.001 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 0.278 120.485 120.200 0.011 0.000 2.482 1234 E HA -0.056 4.294 4.350 -0.001 0.000 0.196 1234 E C -0.074 176.534 176.600 0.013 0.000 1.047 1234 E CA 0.702 57.108 56.400 0.010 0.000 0.869 1234 E CB 0.209 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 4.617 4.320 -0.001 0.000 0.233 1235 K C -0.946 175.670 176.600 0.028 0.000 0.972 1235 K CA -0.411 55.887 56.287 0.018 0.000 0.988 1235 K CB 1.504 34.013 32.500 0.015 0.000 1.187 1235 K HN 0.102 nan 8.250 nan 0.000 0.471 1236 L N 5.223 126.462 121.223 0.027 0.000 2.565 1236 L HA 0.218 4.558 4.340 -0.001 0.000 0.275 1236 L C 0.083 176.977 176.870 0.040 0.000 1.137 1236 L CA 0.402 55.265 54.840 0.038 0.000 0.915 1236 L CB -0.387 41.680 42.059 0.014 0.000 1.232 1236 L HN 0.413 nan 8.230 nan 0.000 0.473 1237 I N 4.172 124.783 120.570 0.068 0.000 2.785 1237 I HA 0.519 4.689 4.170 -0.001 0.000 0.302 1237 I C -0.337 175.842 176.117 0.103 0.000 1.069 1237 I CA -0.568 60.766 61.300 0.057 0.000 1.045 1237 I CB 2.833 40.851 38.000 0.029 0.000 1.236 1237 I HN 0.395 nan 8.210 nan 0.000 0.429 1238 I N 3.988 124.597 120.570 0.065 0.000 2.499 1238 I HA 0.463 4.632 4.170 -0.001 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 2.030 40.061 38.000 0.052 0.000 1.238 1238 I HN 0.450 nan 8.210 nan 0.000 0.426 1239 R N 4.439 124.918 120.500 -0.034 0.000 2.562 1239 R HA 0.801 5.141 4.340 -0.001 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 5.131 4.460 -0.001 0.000 0.304 1240 C C -0.600 174.370 174.990 -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 -0.119 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 0.621 4.960 4.340 -0.001 0.000 0.270 1241 R C -0.902 175.439 176.300 0.069 0.000 1.052 1241 R CA -0.551 55.594 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 1.283 121.237 119.914 0.067 0.000 3.816 1242 V HA 0.406 4.525 4.120 -0.001 0.000 0.281 1242 V C 0.413 176.547 176.094 0.067 0.000 1.027 1242 V CA -0.230 62.101 62.300 0.052 0.000 1.032 1242 V CB 1.066 32.929 31.823 0.067 0.000 1.226 1242 V HN 0.574 nan 8.190 nan 0.000 0.448 1255 E N 0.097 120.350 120.200 0.088 0.000 6.582 1255 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 1255 E C -0.044 176.596 176.600 0.067 0.000 1.234 1255 E CA 0.733 57.175 56.400 0.071 0.000 1.476 1255 E CB -0.462 29.264 29.700 0.043 0.000 0.955 1255 E HN 0.582 nan 8.360 nan 0.000 0.300 1256 E N 1.297 121.523 120.200 0.043 0.000 2.288 1256 E HA -0.033 4.317 4.350 -0.001 0.000 0.200 1256 E C 1.017 177.487 176.600 -0.218 0.000 0.880 1256 E CA 0.142 56.535 56.400 -0.011 0.000 0.971 1256 E CB 0.121 29.920 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 4.421 4.640 -0.001 0.000 0.196 1257 D C 1.777 177.912 176.300 -0.275 0.000 0.999 1257 D CA 1.204 54.865 54.000 -0.564 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 0.249 119.211 119.070 -0.179 0.000 2.299 1258 H HA 0.065 4.620 4.556 -0.001 0.000 0.302 1258 H C 2.357 177.640 175.328 -0.074 0.000 1.078 1258 H CA 0.818 56.805 56.048 -0.102 0.000 1.323 1258 H CB -0.082 29.642 29.762 -0.064 0.000 1.381 1258 H HN 0.135 nan 8.280 nan 0.000 0.498 1259 M N -0.098 119.557 119.600 0.091 0.000 2.159 1259 M HA -0.169 4.310 4.480 -0.001 0.000 0.263 1259 M C 1.775 178.080 176.300 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 0.156 121.351 121.223 -0.048 0.000 2.693 1260 L HA -0.037 4.303 4.340 -0.001 0.000 0.242 1260 L C 1.394 178.224 176.870 -0.067 0.000 1.157 1260 L CA 1.251 56.053 54.840 -0.064 0.000 0.929 1260 L CB -0.559 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 -1.956 118.413 120.400 -0.051 0.000 2.567 1261 K HA 0.139 4.459 4.320 -0.001 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 0.487 32.913 32.500 -0.124 0.000 1.487 1261 K HN 0.052 nan 8.250 nan 0.000 0.531 1262 K N 1.041 121.466 120.400 0.042 0.000 2.283 1262 K HA 0.028 4.348 4.320 -0.001 0.000 0.202 1262 K C 1.778 178.433 176.600 0.091 0.000 1.048 1262 K CA 0.989 57.323 56.287 0.078 0.000 0.948 1262 K CB 0.123 32.689 32.500 0.112 0.000 0.742 1262 K HN 0.127 nan 8.250 nan 0.000 0.458 1263 I N 0.443 121.062 120.570 0.081 0.000 2.585 1263 I HA -0.164 4.005 4.170 -0.001 0.000 0.254 1263 I C 2.398 178.569 176.117 0.090 0.000 1.129 1263 I CA 0.644 62.014 61.300 0.116 0.000 1.455 1263 I CB -0.075 37.928 38.000 0.004 0.000 1.111 1263 I HN 0.133 nan 8.210 nan 0.000 0.433 1264 E N 1.701 121.922 120.200 0.034 0.000 2.130 1264 E HA -0.271 4.079 4.350 -0.001 0.000 0.196 1264 E C 1.777 178.406 176.600 0.048 0.000 0.998 1264 E CA 1.818 58.234 56.400 0.027 0.000 0.806 1264 E CB -0.186 29.515 29.700 0.003 0.000 0.738 1264 E HN 0.355 nan 8.360 nan 0.000 0.459 1265 N N -0.622 118.110 118.700 0.053 0.000 2.220 1265 N HA -0.029 4.710 4.740 -0.001 0.000 0.182 1265 N C 1.642 177.196 175.510 0.073 0.000 1.023 1265 N CA 1.687 54.769 53.050 0.052 0.000 0.856 1265 N CB -0.455 38.056 38.487 0.040 0.000 0.997 1265 N HN 0.239 nan 8.380 nan 0.000 0.429 1266 T N 2.228 116.845 114.554 0.105 0.000 2.699 1266 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 1266 T C 2.066 176.837 174.700 0.118 0.000 1.036 1266 T CA 1.163 63.329 62.100 0.109 0.000 1.147 1266 T CB -0.083 68.885 68.868 0.166 0.000 0.862 1266 T HN 0.204 nan 8.240 nan 0.000 0.446 1267 M N 0.372 120.083 119.600 0.185 0.000 2.126 1267 M HA -0.052 4.427 4.480 -0.001 0.000 0.259 1267 M C 2.414 178.760 176.300 0.075 0.000 1.073 1267 M CA 1.759 57.156 55.300 0.163 0.000 1.103 1267 M CB -0.838 31.855 32.600 0.155 0.000 1.284 1267 M HN 0.207 nan 8.290 nan 0.000 0.420 1268 L N -0.330 120.928 121.223 0.058 0.000 2.021 1268 L HA -0.268 4.072 4.340 -0.001 0.000 0.215 1268 L C 2.043 178.930 176.870 0.028 0.000 1.074 1268 L CA 1.723 56.583 54.840 0.033 0.000 0.760 1268 L CB -0.726 41.350 42.059 0.028 0.000 0.889 1268 L HN 0.467 nan 8.230 nan 0.000 0.433 1269 E N -1.800 118.422 120.200 0.035 0.000 2.413 1269 E HA 0.019 4.368 4.350 -0.001 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 0.299 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 4.833 4.740 -0.001 0.000 0.178 1270 N C 0.678 176.188 175.510 0.001 0.000 1.026 1270 N CA 0.259 53.317 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 2.351 122.914 120.570 -0.011 0.000 2.664 1271 I HA -0.055 4.115 4.170 -0.001 0.000 0.284 1271 I C -0.051 176.052 176.117 -0.024 0.000 1.154 1271 I CA 0.567 61.850 61.300 -0.029 0.000 1.402 1271 I CB 0.228 38.221 38.000 -0.013 0.000 1.395 1271 I HN -0.148 nan 8.210 nan 0.000 0.545 1272 T N 7.960 122.500 114.554 -0.023 0.000 2.747 1272 T HA 0.180 4.529 4.350 -0.001 0.000 0.301 1272 T C 1.159 175.814 174.700 -0.076 0.000 0.952 1272 T CA -0.573 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 2.747 123.899 121.223 -0.119 0.000 2.046 1273 L HA 0.184 4.524 4.340 -0.001 0.000 0.208 1273 L C 1.336 178.148 176.870 -0.097 0.000 1.077 1273 L CA 1.602 56.378 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 -2.467 117.964 120.500 -0.115 0.000 2.753 1274 R HA 0.476 4.816 4.340 -0.001 0.000 0.272 1274 R C -0.783 175.483 176.300 -0.056 0.000 1.034 1274 R CA 0.078 56.134 56.100 -0.073 0.000 0.869 1274 R CB 0.820 31.078 30.300 -0.070 0.000 1.264 1274 R HN 0.175 nan 8.270 nan 0.000 0.481 1275 G N 0.568 109.370 108.800 0.003 0.000 2.549 1275 G HA2 -0.058 3.901 3.960 -0.001 0.000 0.404 1275 G HA3 -0.058 3.901 3.960 -0.001 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 1.050 121.038 119.914 0.124 0.000 2.667 1276 V HA 0.596 4.716 4.120 -0.001 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 0.073 0.000 0.928 1276 V CB 1.589 33.430 31.823 0.031 0.000 1.004 1276 V HN 1.129 nan 8.190 nan 0.000 0.444 1277 E N 3.489 123.649 120.200 -0.067 0.000 2.404 1277 E HA 0.210 4.559 4.350 -0.001 0.000 0.261 1277 E C 0.241 176.708 176.600 -0.220 0.000 1.074 1277 E CA -0.117 56.112 56.400 -0.285 0.000 0.917 1277 E CB 0.260 29.837 29.700 -0.204 0.000 0.965 1277 E HN 0.646 nan 8.360 nan 0.000 0.433 1278 N N 0.087 118.612 118.700 -0.292 0.000 2.884 1278 N HA -0.216 4.524 4.740 -0.001 0.000 0.210 1278 N C -0.168 175.293 175.510 -0.082 0.000 0.941 1278 N CA 1.625 54.585 53.050 -0.150 0.000 1.131 1278 N CB -1.346 37.085 38.487 -0.094 0.000 0.965 1278 N HN 0.605 nan 8.380 nan 0.000 0.591 1279 I N 2.889 123.428 120.570 -0.051 0.000 2.311 1279 I HA 0.018 4.188 4.170 -0.001 0.000 0.297 1279 I C 1.500 177.652 176.117 0.059 0.000 1.131 1279 I CA 0.282 61.589 61.300 0.013 0.000 1.289 1279 I CB 0.268 38.288 38.000 0.032 0.000 1.446 1279 I HN 0.143 nan 8.210 nan 0.000 0.524 1280 E N 5.369 125.593 120.200 0.041 0.000 2.013 1280 E HA 0.071 4.420 4.350 -0.001 0.000 0.194 1280 E C 0.799 177.426 176.600 0.044 0.000 0.973 1280 E CA 0.444 56.878 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 4.805 4.340 -0.001 0.000 0.268 1281 R C -0.840 175.484 176.300 0.039 0.000 1.232 1281 R CA -0.284 55.815 56.100 -0.002 0.000 1.166 1281 R CB 0.827 31.113 30.300 -0.024 0.000 1.179 1281 R HN 0.025 nan 8.270 nan 0.000 0.606 1282 V N 0.733 120.686 119.914 0.065 0.000 2.859 1282 V HA 0.114 4.234 4.120 -0.001 0.000 0.276 1282 V C -1.212 174.964 176.094 0.136 0.000 1.496 1282 V CA -0.741 61.611 62.300 0.086 0.000 0.929 1282 V CB 2.064 33.938 31.823 0.084 0.000 1.147 1282 V HN 0.419 nan 8.190 nan 0.000 0.449 1283 V N 5.251 125.222 119.914 0.095 0.000 2.769 1283 V HA 0.600 4.719 4.120 -0.001 0.000 0.312 1283 V C -0.094 176.055 176.094 0.092 0.000 1.061 1283 V CA -0.728 61.642 62.300 0.116 0.000 0.931 1283 V CB 2.276 34.159 31.823 0.100 0.000 1.010 1283 V HN 0.821 nan 8.190 nan 0.000 0.433 1284 M N 5.016 124.694 119.600 0.130 0.000 2.088 1284 M HA 0.546 5.026 4.480 -0.001 0.000 0.346 1284 M C -0.891 175.616 176.300 0.345 0.000 1.111 1284 M CA -0.028 55.402 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 0.423 nan 8.290 nan 0.000 0.445 1285 M N 2.341 122.077 119.600 0.226 0.000 2.535 1285 M HA 0.408 4.888 4.480 -0.001 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 2.363 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 2.246 122.461 120.400 -0.308 0.000 2.244 1286 K HA 0.338 4.658 4.320 -0.001 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 0.365 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 1.217 121.389 120.300 -0.213 0.000 2.330 1287 Y HA -0.022 4.528 4.550 -0.001 0.000 0.341 1287 Y C 0.840 176.694 175.900 -0.076 0.000 1.278 1287 Y CA -0.566 57.478 58.100 -0.093 0.000 1.453 1287 Y CB 0.775 39.225 38.460 -0.016 0.000 1.342 1287 Y HN 0.432 nan 8.280 nan 0.000 0.590 1288 D N 2.208 122.630 120.400 0.037 0.000 2.193 1288 D HA 0.271 4.911 4.640 -0.001 0.000 0.244 1288 D C -0.747 175.585 176.300 0.054 0.000 1.064 1288 D CA -0.362 53.645 54.000 0.013 0.000 0.845 1288 D CB 1.679 42.460 40.800 -0.033 0.000 1.148 1288 D HN 0.397 nan 8.370 nan 0.000 0.464 1289 R N 2.449 122.989 120.500 0.067 0.000 2.515 1289 R HA 0.204 4.543 4.340 -0.001 0.000 0.291 1289 R C -0.716 175.637 176.300 0.088 0.000 1.046 1289 R CA -0.690 55.463 56.100 0.088 0.000 0.914 1289 R CB 1.452 31.821 30.300 0.114 0.000 1.191 1289 R HN 0.238 nan 8.270 nan 0.000 0.435 1290 K N 2.208 122.675 120.400 0.110 0.000 2.295 1290 K HA 0.382 4.702 4.320 -0.001 0.000 0.270 1290 K C -0.773 175.969 176.600 0.236 0.000 1.011 1290 K CA -0.327 56.069 56.287 0.182 0.000 0.953 1290 K CB 1.495 34.112 32.500 0.194 0.000 0.956 1290 K HN 0.240 nan 8.250 nan 0.000 0.477 1291 V N 3.603 123.632 119.914 0.192 0.000 2.817 1291 V HA 0.184 4.304 4.120 -0.001 0.000 0.303 1291 V C -2.566 173.357 176.094 -0.285 0.000 1.151 1291 V CA -1.978 60.317 62.300 -0.008 0.000 0.929 1291 V CB 2.035 33.850 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 -0.347 176.774 177.300 -0.298 0.000 1.195 1292 P CA 0.582 63.281 63.100 -0.669 0.000 0.762 1292 P CB 0.609 31.950 31.700 -0.599 0.000 0.799 1293 S N 5.022 120.594 115.700 -0.213 0.000 2.646 1293 S HA 0.361 4.831 4.470 -0.001 0.000 0.276 1293 S C -1.147 173.393 174.600 -0.100 0.000 1.222 1293 S CA -1.877 56.255 58.200 -0.114 0.000 1.014 1293 S CB 0.117 63.277 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 1.302 178.573 177.300 -0.049 0.000 1.148 1294 P CA 1.592 64.658 63.100 -0.058 0.000 0.834 1294 P CB -0.418 31.258 31.700 -0.039 0.000 0.783 1295 T N -3.098 111.433 114.554 -0.039 0.000 3.160 1295 T HA 0.256 4.606 4.350 -0.001 0.000 0.257 1295 T C 1.402 176.089 174.700 -0.023 0.000 1.147 1295 T CA 1.432 63.519 62.100 -0.022 0.000 1.064 1295 T CB -0.686 68.177 68.868 -0.008 0.000 0.949 1295 T HN 0.338 nan 8.240 nan 0.000 0.526 1296 G N 0.723 109.491 108.800 -0.052 0.000 2.493 1296 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.206 1296 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.206 1296 G C -0.194 174.679 174.900 -0.045 0.000 1.109 1296 G CA -0.120 44.948 45.100 -0.054 0.000 0.689 1296 G HN 0.627 nan 8.290 nan 0.000 0.516 1297 E N 0.525 120.723 120.200 -0.003 0.000 2.404 1297 E HA 0.524 4.873 4.350 -0.001 0.000 0.261 1297 E C -0.438 176.175 176.600 0.021 0.000 1.074 1297 E CA -0.275 56.156 56.400 0.052 0.000 0.917 1297 E CB 0.417 30.150 29.700 0.056 0.000 0.965 1297 E HN 0.400 nan 8.360 nan 0.000 0.433 1298 Y N 0.607 120.908 120.300 0.002 0.000 2.319 1298 Y HA 0.303 4.853 4.550 -0.001 0.000 0.328 1298 Y C 0.244 176.144 175.900 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 3.006 122.981 119.914 0.102 0.000 3.182 1299 V HA 0.460 4.579 4.120 -0.001 0.000 0.311 1299 V C -0.859 175.279 176.094 0.074 0.000 1.221 1299 V CA -1.631 60.709 62.300 0.065 0.000 1.060 1299 V CB 2.192 34.027 31.823 0.020 0.000 1.164 1299 V HN 0.500 nan 8.190 nan 0.000 0.466 1300 K N 1.770 122.197 120.400 0.046 0.000 2.389 1300 K HA 0.415 4.735 4.320 -0.001 0.000 0.261 1300 K C -0.734 175.881 176.600 0.024 0.000 1.014 1300 K CA -0.197 56.114 56.287 0.039 0.000 0.920 1300 K CB 1.588 34.103 32.500 0.025 0.000 1.149 1300 K HN 0.619 nan 8.250 nan 0.000 0.444 1301 E N 5.394 125.611 120.200 0.028 0.000 2.173 1301 E HA 0.170 4.520 4.350 -0.001 0.000 0.249 1301 E C -2.196 174.414 176.600 0.017 0.000 0.923 1301 E CA -2.217 54.195 56.400 0.020 0.000 0.754 1301 E CB 0.767 30.480 29.700 0.021 0.000 1.177 1301 E HN 0.312 nan 8.360 nan 0.000 0.430 1302 P HA -0.061 nan 4.420 nan 0.000 0.267 1302 P C -0.921 176.339 177.300 -0.066 0.000 1.200 1302 P CA 0.359 63.428 63.100 -0.051 0.000 0.772 1302 P CB 0.706 32.343 31.700 -0.104 0.000 0.855 1303 E N 1.067 121.218 120.200 -0.082 0.000 2.356 1303 E HA 0.407 4.756 4.350 -0.001 0.000 0.275 1303 E C -1.416 175.082 176.600 -0.171 0.000 0.904 1303 E CA -1.009 55.361 56.400 -0.051 0.000 0.757 1303 E CB 0.737 30.493 29.700 0.092 0.000 1.232 1303 E HN 0.266 nan 8.360 nan 0.000 0.442 1304 W N 1.792 123.107 121.300 0.025 0.000 2.238 1304 W HA 0.465 5.125 4.660 -0.001 0.000 0.321 1304 W C -0.554 175.889 176.519 -0.126 0.000 1.293 1304 W CA -0.107 57.216 57.345 -0.036 0.000 1.204 1304 W CB 1.305 30.750 29.460 -0.025 0.000 1.167 1304 W HN 0.260 nan 8.180 nan 0.000 0.553 1305 V N 4.705 124.582 119.914 -0.063 0.000 2.888 1305 V HA 0.396 4.516 4.120 -0.001 0.000 0.309 1305 V C -0.450 175.474 176.094 -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 33.073 31.823 -1.057 0.000 1.021 1305 V HN 0.273 nan 8.190 nan 0.000 0.426 1306 L N 3.467 124.537 121.223 -0.256 0.000 2.282 1306 L HA 0.601 4.941 4.340 -0.001 0.000 0.288 1306 L C -0.020 176.758 176.870 -0.154 0.000 1.033 1306 L CA -0.408 54.354 54.840 -0.131 0.000 0.807 1306 L CB 1.602 43.624 42.059 -0.061 0.000 1.209 1306 L HN 0.637 nan 8.230 nan 0.000 0.423 1307 E N 1.359 121.511 120.200 -0.079 0.000 2.214 1307 E HA 0.454 4.804 4.350 -0.001 0.000 0.274 1307 E C -0.768 175.840 176.600 0.013 0.000 0.977 1307 E CA -0.397 55.989 56.400 -0.023 0.000 0.827 1307 E CB 2.221 31.942 29.700 0.035 0.000 1.130 1307 E HN 0.407 nan 8.360 nan 0.000 0.394 1308 T N 1.239 115.809 114.554 0.026 0.000 2.912 1308 T HA 0.250 4.600 4.350 -0.001 0.000 0.288 1308 T C -1.063 173.658 174.700 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 2.061 122.478 120.400 0.028 0.000 2.863 1309 D HA 0.499 5.139 4.640 -0.001 0.000 0.323 1309 D C 0.104 176.413 176.300 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 0.240 4.199 3.960 -0.001 0.000 0.296 1310 G HA3 0.240 4.199 3.960 -0.001 0.000 0.296 1310 G C -1.615 173.283 174.900 -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 2.048 121.953 119.914 -0.014 0.000 2.628 1311 V HA 0.834 4.954 4.120 -0.001 0.000 0.306 1311 V C -0.320 175.758 176.094 -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 33.889 31.823 -0.021 0.000 0.997 1311 V HN 0.887 nan 8.190 nan 0.000 0.436 1312 N N 3.841 122.529 118.700 -0.021 0.000 3.211 1312 N HA 0.044 4.784 4.740 -0.001 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 0.488 nan 8.380 nan 0.000 0.610 1313 L N 2.340 123.555 121.223 -0.012 0.000 1.970 1313 L HA -0.103 4.237 4.340 -0.001 0.000 0.212 1313 L C 2.332 179.205 176.870 0.005 0.000 1.071 1313 L CA 2.796 57.636 54.840 -0.001 0.000 0.751 1313 L CB -1.050 41.004 42.059 -0.008 0.000 0.889 1313 L HN 0.573 nan 8.230 nan 0.000 0.432 1314 S N -1.157 114.542 115.700 -0.001 0.000 2.422 1314 S HA -0.344 4.125 4.470 -0.001 0.000 0.241 1314 S C 1.776 176.379 174.600 0.005 0.000 1.076 1314 S CA 2.082 60.283 58.200 0.001 0.000 1.066 1314 S CB -0.869 62.328 63.200 -0.005 0.000 0.890 1314 S HN 0.710 nan 8.310 nan 0.000 0.465 1315 E N 0.048 120.249 120.200 0.003 0.000 2.364 1315 E HA 0.132 4.482 4.350 -0.001 0.000 0.196 1315 E C 1.920 178.527 176.600 0.012 0.000 0.990 1315 E CA 0.503 56.906 56.400 0.006 0.000 0.886 1315 E CB 0.151 29.852 29.700 0.001 0.000 0.866 1315 E HN 0.456 nan 8.360 nan 0.000 0.493 1316 V N 1.200 121.123 119.914 0.016 0.000 2.591 1316 V HA -0.209 3.911 4.120 -0.001 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 31.457 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 4.264 4.480 -0.001 0.000 0.259 1317 M C 2.524 178.845 176.300 0.034 0.000 1.069 1317 M CA 2.520 57.845 55.300 0.042 0.000 1.110 1317 M CB -1.066 31.558 32.600 0.039 0.000 1.328 1317 M HN 0.525 nan 8.290 nan 0.000 0.405 1318 T N 0.379 114.948 114.554 0.025 0.000 2.822 1318 T HA -0.067 4.282 4.350 -0.001 0.000 0.270 1318 T C 0.739 175.450 174.700 0.019 0.000 1.064 1318 T CA 0.506 62.618 62.100 0.020 0.000 1.131 1318 T CB -0.712 68.164 68.868 0.014 0.000 0.858 1318 T HN 0.132 nan 8.240 nan 0.000 0.483 1319 V N 4.726 124.651 119.914 0.020 0.000 2.814 1319 V HA 0.170 4.290 4.120 -0.001 0.000 0.307 1319 V C -1.382 174.723 176.094 0.018 0.000 1.089 1319 V CA -1.083 61.226 62.300 0.016 0.000 1.212 1319 V CB 0.358 32.191 31.823 0.016 0.000 0.912 1319 V HN 0.520 nan 8.190 nan 0.000 0.497 1320 P HA 0.303 nan 4.420 nan 0.000 0.277 1320 P C 0.867 178.173 177.300 0.010 0.000 1.271 1320 P CA 0.696 63.803 63.100 0.010 0.000 0.795 1320 P CB 1.049 32.749 31.700 -0.001 0.000 1.101 1321 G N 0.589 109.398 108.800 0.015 0.000 2.674 1321 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.236 1321 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.236 1321 G C 0.534 175.466 174.900 0.053 0.000 1.178 1321 G CA 0.583 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 -0.373 120.229 120.570 0.052 0.000 2.882 1322 I HA 0.567 4.737 4.170 -0.001 0.000 0.286 1322 I C -0.156 176.017 176.117 0.093 0.000 1.139 1322 I CA -0.250 61.097 61.300 0.079 0.000 1.379 1322 I CB 0.967 39.012 38.000 0.074 0.000 1.410 1322 I HN 0.064 nan 8.210 nan 0.000 0.594 1323 D N 6.690 127.163 120.400 0.123 0.000 2.456 1323 D HA 0.245 4.885 4.640 -0.001 0.000 0.219 1323 D C -1.562 174.796 176.300 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 0.622 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 0.156 114.736 114.554 0.043 0.000 2.904 1325 T HA -0.025 4.325 4.350 -0.001 0.000 0.267 1325 T C 1.772 176.477 174.700 0.008 0.000 1.059 1325 T CA 1.165 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 -0.234 120.268 120.500 0.003 0.000 2.307 1326 R HA 0.399 4.738 4.340 -0.001 0.000 0.200 1326 R C 0.818 177.189 176.300 0.117 0.000 0.893 1326 R CA -0.257 55.801 56.100 -0.069 0.000 1.042 1326 R CB 0.160 30.244 30.300 -0.359 0.000 1.059 1326 R HN 0.309 nan 8.270 nan 0.000 0.530 1327 I N 1.848 122.553 120.570 0.224 0.000 3.017 1327 I HA -0.259 3.911 4.170 -0.001 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 5.121 4.550 -0.001 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 2.070 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 2.291 116.267 114.554 -0.963 0.000 2.942 1329 T HA 0.150 4.500 4.350 -0.001 0.000 0.327 1329 T C -0.409 173.829 174.700 -0.770 0.000 1.360 1329 T CA -0.724 61.034 62.100 -0.570 0.000 1.055 1329 T CB 1.097 69.814 68.868 -0.251 0.000 1.261 1329 T HN 0.693 nan 8.240 nan 0.000 0.485 1330 N N -0.038 118.547 118.700 -0.190 0.000 2.461 1330 N HA 0.031 4.771 4.740 -0.001 0.000 0.188 1330 N C 0.684 176.284 175.510 0.150 0.000 1.134 1330 N CA -0.117 52.959 53.050 0.043 0.000 0.878 1330 N CB 0.377 38.964 38.487 0.166 0.000 0.972 1330 N HN 0.345 nan 8.380 nan 0.000 0.456 1331 S N 0.700 116.429 115.700 0.048 0.000 3.869 1331 S HA 0.157 4.627 4.470 -0.001 0.000 0.241 1331 S C 0.733 175.366 174.600 0.055 0.000 1.363 1331 S CA -0.981 57.258 58.200 0.066 0.000 0.894 1331 S CB -1.283 61.896 63.200 -0.035 0.000 1.519 1331 S HN 0.377 nan 8.310 nan 0.000 0.470 1332 F N 2.173 122.104 119.950 -0.033 0.000 2.115 1332 F HA -0.163 4.364 4.527 -0.001 0.000 0.300 1332 F C 1.753 177.553 175.800 -0.000 0.000 1.092 1332 F CA 0.998 58.993 58.000 -0.007 0.000 1.245 1332 F CB -0.754 38.271 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 3.814 4.170 -0.001 0.000 0.242 1333 I C 2.401 178.428 176.117 -0.150 0.000 1.064 1333 I CA 1.909 62.991 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 4.455 4.640 -0.001 0.000 0.194 1334 D C 2.251 178.530 176.300 -0.036 0.000 0.994 1334 D CA 1.441 55.397 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 1.034 121.592 120.570 -0.021 0.000 2.335 1335 I HA -0.275 3.895 4.170 -0.001 0.000 0.251 1335 I C 2.483 178.621 176.117 0.035 0.000 1.129 1335 I CA 0.649 61.958 61.300 0.015 0.000 1.402 1335 I CB -0.184 37.840 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 4.230 4.480 -0.001 0.000 0.259 1336 M C 2.048 178.358 176.300 0.017 0.000 1.083 1336 M CA 2.019 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 -0.005 0.000 2.208 1337 E HA -0.238 4.112 4.350 -0.001 0.000 0.202 1337 E C 1.894 178.495 176.600 0.001 0.000 1.014 1337 E CA 1.772 58.168 56.400 -0.007 0.000 0.819 1337 E CB -0.416 29.271 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 4.046 4.120 -0.001 0.000 0.241 1338 V C 1.855 177.960 176.094 0.018 0.000 1.041 1338 V CA 0.984 63.290 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 -0.211 121.028 121.223 0.027 0.000 2.640 1339 L HA 0.565 4.905 4.340 -0.001 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 0.056 42.143 42.059 0.047 0.000 1.146 1339 L HN 0.497 nan 8.230 nan 0.000 0.484 1340 G N 0.308 109.129 108.800 0.035 0.000 2.541 1340 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.686 1340 G HA3 -0.192 3.767 3.960 -0.001 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 -0.417 120.183 120.570 0.050 0.000 2.480 1341 I HA 0.061 4.231 4.170 -0.001 0.000 0.251 1341 I C 2.313 178.473 176.117 0.072 0.000 1.124 1341 I CA 1.130 62.469 61.300 0.064 0.000 1.444 1341 I CB -0.100 37.936 38.000 0.060 0.000 1.098 1341 I HN 0.630 nan 8.210 nan 0.000 0.428 1342 E N 1.238 121.475 120.200 0.061 0.000 2.160 1342 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 1342 E C 2.107 178.748 176.600 0.068 0.000 0.991 1342 E CA 1.415 57.851 56.400 0.060 0.000 0.810 1342 E CB -0.120 29.607 29.700 0.046 0.000 0.742 1342 E HN 0.649 nan 8.360 nan 0.000 0.466 1343 A N 0.532 123.395 122.820 0.072 0.000 1.854 1343 A HA -0.012 4.308 4.320 -0.001 0.000 0.214 1343 A C 2.499 180.156 177.584 0.121 0.000 1.192 1343 A CA 1.674 53.764 52.037 0.088 0.000 0.611 1343 A CB -1.075 17.974 19.000 0.083 0.000 0.832 1343 A HN 0.336 nan 8.150 nan 0.000 0.442 1344 G N -0.234 108.638 108.800 0.121 0.000 2.513 1344 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.219 1344 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.219 1344 G C 1.758 176.765 174.900 0.178 0.000 1.160 1344 G CA 1.303 46.502 45.100 0.165 0.000 0.767 1344 G HN 0.546 nan 8.290 nan 0.000 0.571 1345 R N 0.705 121.288 120.500 0.138 0.000 2.094 1345 R HA -0.130 4.210 4.340 -0.001 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 0.836 123.733 122.820 0.130 0.000 1.863 1346 A HA -0.279 4.040 4.320 -0.001 0.000 0.218 1346 A C 2.426 180.142 177.584 0.220 0.000 1.233 1346 A CA 2.683 54.804 52.037 0.140 0.000 0.655 1346 A CB -1.400 17.664 19.000 0.108 0.000 0.839 1346 A HN 0.617 nan 8.150 nan 0.000 0.454 1347 A N -0.925 122.045 122.820 0.250 0.000 1.884 1347 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 1347 A C 2.160 179.850 177.584 0.178 0.000 1.197 1347 A CA 2.188 54.415 52.037 0.316 0.000 0.637 1347 A CB -0.893 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 4.086 4.340 -0.001 0.000 0.216 1348 L C 2.275 179.117 176.870 -0.046 0.000 1.077 1348 L CA 2.793 57.551 54.840 -0.135 0.000 0.766 1348 L CB -0.896 41.150 42.059 -0.021 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 4.361 4.550 -0.001 0.000 0.291 1349 Y C 2.721 178.676 175.900 0.092 0.000 1.122 1349 Y CA 1.912 60.030 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 0.161 120.829 120.400 0.446 0.000 2.107 1350 K HA -0.313 4.007 4.320 -0.001 0.000 0.211 1350 K C 1.854 178.566 176.600 0.187 0.000 1.049 1350 K CA 2.141 58.618 56.287 0.317 0.000 0.927 1350 K CB -0.144 32.508 32.500 0.252 0.000 0.714 1350 K HN 0.323 nan 8.250 nan 0.000 0.452 1351 E N -0.052 120.217 120.200 0.115 0.000 1.998 1351 E HA -0.125 4.225 4.350 -0.001 0.000 0.195 1351 E C 1.885 178.464 176.600 -0.034 0.000 0.994 1351 E CA 1.405 57.828 56.400 0.037 0.000 0.835 1351 E CB -0.571 29.062 29.700 -0.110 0.000 0.786 1351 E HN 0.059 nan 8.360 nan 0.000 0.467 1352 V N 0.901 120.734 119.914 -0.134 0.000 2.257 1352 V HA -0.382 3.738 4.120 -0.001 0.000 0.257 1352 V C 2.196 178.198 176.094 -0.153 0.000 1.077 1352 V CA 2.534 64.739 62.300 -0.158 0.000 1.063 1352 V CB -0.908 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 1.534 121.609 120.300 -0.376 0.000 2.002 1353 Y HA -0.355 4.195 4.550 -0.001 0.000 0.268 1353 Y C 2.648 178.480 175.900 -0.114 0.000 1.177 1353 Y CA 2.460 60.372 58.100 -0.312 0.000 1.111 1353 Y CB -0.657 37.576 38.460 -0.379 0.000 0.952 1353 Y HN 0.284 nan 8.280 nan 0.000 0.491 1354 N N -0.041 118.716 118.700 0.096 0.000 2.137 1354 N HA -0.218 4.522 4.740 -0.001 0.000 0.190 1354 N C 1.920 177.383 175.510 -0.078 0.000 1.017 1354 N CA 1.716 54.783 53.050 0.028 0.000 0.859 1354 N CB -0.443 38.124 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 3.911 4.120 -0.001 0.000 0.247 1355 V C 2.241 178.264 176.094 -0.118 0.000 1.051 1355 V CA 1.409 63.663 62.300 -0.076 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 0.024 120.485 120.570 -0.180 0.000 2.439 1356 I HA -0.128 4.042 4.170 -0.001 0.000 0.251 1356 I C 2.406 178.383 176.117 -0.232 0.000 1.139 1356 I CA 1.313 62.494 61.300 -0.200 0.000 1.438 1356 I CB -0.454 37.410 38.000 -0.227 0.000 1.085 1356 I HN 0.279 nan 8.210 nan 0.000 0.427 1357 A N 0.507 123.112 122.820 -0.358 0.000 2.081 1357 A HA -0.065 4.255 4.320 -0.001 0.000 0.214 1357 A C 2.382 179.871 177.584 -0.157 0.000 1.158 1357 A CA 0.983 52.827 52.037 -0.322 0.000 0.724 1357 A CB -0.475 18.150 19.000 -0.625 0.000 0.826 1357 A HN 0.451 nan 8.150 nan 0.000 0.463 1358 S N -0.229 115.398 115.700 -0.122 0.000 2.469 1358 S HA -0.132 4.337 4.470 -0.001 0.000 0.238 1358 S C 1.018 175.589 174.600 -0.049 0.000 0.998 1358 S CA 1.271 59.436 58.200 -0.058 0.000 0.957 1358 S CB -0.306 62.873 63.200 -0.036 0.000 0.764 1358 S HN 0.525 nan 8.310 nan 0.000 0.514 1359 D N 0.936 121.298 120.400 -0.064 0.000 2.370 1359 D HA 0.253 4.893 4.640 -0.001 0.000 0.230 1359 D C 1.498 177.774 176.300 -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 0.823 109.598 108.800 -0.042 0.000 2.451 1360 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.253 1360 G HA3 -0.329 3.631 3.960 -0.001 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 0.166 115.850 115.700 -0.026 0.000 2.568 1361 S HA 0.486 4.956 4.470 -0.001 0.000 0.282 1361 S C -0.221 174.389 174.600 0.015 0.000 1.338 1361 S CA 0.184 58.378 58.200 -0.009 0.000 1.045 1361 S CB 1.011 64.184 63.200 -0.045 0.000 0.873 1361 S HN 0.768 nan 8.310 nan 0.000 0.516 1362 Y N 1.872 122.135 120.300 -0.061 0.000 2.549 1362 Y HA 0.711 5.261 4.550 -0.001 0.000 0.339 1362 Y C -1.058 174.839 175.900 -0.004 0.000 1.053 1362 Y CA -1.115 56.963 58.100 -0.036 0.000 1.105 1362 Y CB 1.065 39.530 38.460 0.009 0.000 1.258 1362 Y HN 0.368 nan 8.280 nan 0.000 0.478 1363 V N 4.202 123.489 119.914 -1.046 0.000 2.817 1363 V HA 0.195 4.315 4.120 -0.001 0.000 0.303 1363 V C -0.808 174.767 176.094 -0.865 0.000 1.151 1363 V CA -1.418 60.416 62.300 -0.777 0.000 0.929 1363 V CB 1.778 33.413 31.823 -0.312 0.000 1.030 1363 V HN 0.891 nan 8.190 nan 0.000 0.427 1364 N N 2.255 120.696 118.700 -0.432 0.000 2.407 1364 N HA 0.014 4.753 4.740 -0.001 0.000 0.250 1364 N C 0.914 176.562 175.510 0.229 0.000 1.236 1364 N CA 0.119 53.202 53.050 0.055 0.000 0.879 1364 N CB 0.492 39.097 38.487 0.198 0.000 1.088 1364 N HN 0.696 nan 8.380 nan 0.000 0.450 1365 Y N 4.569 125.015 120.300 0.244 0.000 1.930 1365 Y HA -0.441 4.109 4.550 -0.001 0.000 0.241 1365 Y C 2.285 178.273 175.900 0.145 0.000 1.104 1365 Y CA 2.815 61.087 58.100 0.286 0.000 1.060 1365 Y CB -0.515 38.075 38.460 0.215 0.000 0.932 1365 Y HN 0.759 nan 8.280 nan 0.000 0.496 1366 R N -0.882 119.619 120.500 0.003 0.000 2.301 1366 R HA -0.388 3.952 4.340 -0.001 0.000 0.250 1366 R C 1.901 178.088 176.300 -0.188 0.000 1.102 1366 R CA 2.292 58.243 56.100 -0.249 0.000 0.933 1366 R CB -1.946 28.082 30.300 -0.453 0.000 0.955 1366 R HN 0.570 nan 8.270 nan 0.000 0.439 1367 H N 0.732 119.803 119.070 0.002 0.000 2.252 1367 H HA -0.140 4.415 4.556 -0.001 0.000 0.292 1367 H C 2.394 177.697 175.328 -0.042 0.000 1.082 1367 H CA 2.338 58.386 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 -0.088 4.391 4.480 -0.001 0.000 0.264 1368 M C 2.801 179.099 176.300 -0.003 0.000 1.063 1368 M CA 1.137 56.443 55.300 0.010 0.000 1.119 1368 M CB -0.254 32.316 32.600 -0.051 0.000 1.377 1368 M HN 0.247 nan 8.290 nan 0.000 0.415 1369 A N 1.145 123.889 122.820 -0.126 0.000 1.863 1369 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 1369 A C 2.104 179.628 177.584 -0.099 0.000 1.233 1369 A CA 2.148 54.018 52.037 -0.277 0.000 0.655 1369 A CB -1.265 17.322 19.000 -0.688 0.000 0.839 1369 A HN 0.442 nan 8.150 nan 0.000 0.454 1370 L N -0.793 120.392 121.223 -0.062 0.000 2.030 1370 L HA -0.242 4.097 4.340 -0.001 0.000 0.222 1370 L C 2.355 179.212 176.870 -0.023 0.000 1.082 1370 L CA 2.621 57.456 54.840 -0.009 0.000 0.785 1370 L CB -0.780 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 -1.212 119.997 121.223 -0.025 0.000 1.944 1371 L HA -0.218 4.122 4.340 -0.001 0.000 0.218 1371 L C 2.428 179.283 176.870 -0.024 0.000 1.075 1371 L CA 2.335 57.151 54.840 -0.040 0.000 0.767 1371 L CB -1.063 40.969 42.059 -0.045 0.000 0.890 1371 L HN 0.138 nan 8.230 nan 0.000 0.434 1372 V N 0.446 120.358 119.914 -0.003 0.000 2.231 1372 V HA -0.408 3.711 4.120 -0.001 0.000 0.250 1372 V C 2.428 178.538 176.094 0.027 0.000 1.058 1372 V CA 2.252 64.567 62.300 0.025 0.000 1.022 1372 V CB -1.028 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 -0.043 120.365 120.400 0.015 0.000 2.106 1373 D HA -0.168 4.472 4.640 -0.001 0.000 0.191 1373 D C 2.169 178.473 176.300 0.006 0.000 0.997 1373 D CA 1.787 55.796 54.000 0.015 0.000 0.834 1373 D CB -0.463 40.339 40.800 0.003 0.000 0.956 1373 D HN 0.337 nan 8.370 nan 0.000 0.448 1374 V N 1.008 120.913 119.914 -0.014 0.000 2.546 1374 V HA -0.232 3.888 4.120 -0.001 0.000 0.254 1374 V C 2.368 178.458 176.094 -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 -1.567 118.038 119.600 0.009 0.000 2.558 1375 M HA -0.039 4.441 4.480 -0.001 0.000 0.255 1375 M C 1.661 177.999 176.300 0.063 0.000 1.113 1375 M CA 0.994 56.318 55.300 0.041 0.000 1.097 1375 M CB 0.224 32.853 32.600 0.048 0.000 1.426 1375 M HN 0.285 nan 8.290 nan 0.000 0.488 1376 T N -1.068 113.518 114.554 0.053 0.000 3.004 1376 T HA 0.053 4.403 4.350 -0.001 0.000 0.266 1376 T C 1.498 176.229 174.700 0.052 0.000 0.986 1376 T CA 0.804 62.942 62.100 0.064 0.000 0.902 1376 T CB 0.199 69.111 68.868 0.073 0.000 1.118 1376 T HN 0.487 nan 8.240 nan 0.000 0.522 1377 T N 0.270 114.846 114.554 0.036 0.000 2.821 1377 T HA -0.017 4.333 4.350 -0.001 0.000 0.267 1377 T C 1.491 176.212 174.700 0.035 0.000 1.046 1377 T CA 0.782 62.901 62.100 0.031 0.000 1.139 1377 T CB -0.331 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 1.384 121.204 119.800 0.034 0.000 2.294 1378 Q HA 0.242 4.581 4.340 -0.001 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 -0.306 108.520 108.800 0.043 0.000 2.300 1379 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.267 1379 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.267 1379 G C 0.444 175.371 174.900 0.046 0.000 0.980 1379 G CA 0.456 45.582 45.100 0.044 0.000 0.635 1379 G HN 0.613 nan 8.290 nan 0.000 0.552 1380 G N -1.485 107.344 108.800 0.048 0.000 3.140 1380 G HA2 0.639 4.598 3.960 -0.001 0.000 0.271 1380 G HA3 0.639 4.598 3.960 -0.001 0.000 0.271 1380 G C -0.593 174.348 174.900 0.067 0.000 1.370 1380 G CA -1.042 44.088 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 0.069 0.000 2.288 1381 L HA 0.296 4.635 4.340 -0.001 0.000 0.283 1381 L C -0.044 176.884 176.870 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 0.100 0.000 1.245 1381 L HN 0.312 nan 8.230 nan 0.000 0.432 1382 T N 1.264 115.879 114.554 0.101 0.000 2.728 1382 T HA 0.194 4.544 4.350 -0.001 0.000 0.296 1382 T C 0.544 175.319 174.700 0.126 0.000 0.940 1382 T CA -0.559 61.602 62.100 0.102 0.000 1.013 1382 T CB 0.956 69.878 68.868 0.090 0.000 0.912 1382 T HN 0.653 nan 8.240 nan 0.000 0.484 1383 S N 2.207 117.988 115.700 0.135 0.000 2.580 1383 S HA 0.106 4.576 4.470 -0.001 0.000 0.266 1383 S C 1.175 175.888 174.600 0.188 0.000 1.354 1383 S CA -0.831 57.459 58.200 0.151 0.000 1.008 1383 S CB 0.495 63.783 63.200 0.147 0.000 0.898 1383 S HN 0.412 nan 8.310 nan 0.000 0.555 1384 V N 1.163 121.180 119.914 0.171 0.000 3.633 1384 V HA 0.084 4.203 4.120 -0.001 0.000 0.283 1384 V C 0.985 177.271 176.094 0.319 0.000 1.305 1384 V CA 0.390 62.814 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 0.746 115.394 114.554 0.157 0.000 2.770 1385 T HA 0.179 4.529 4.350 -0.001 0.000 0.281 1385 T C 1.603 176.155 174.700 -0.247 0.000 0.981 1385 T CA -0.464 61.634 62.100 -0.003 0.000 0.955 1385 T CB 0.853 69.635 68.868 -0.143 0.000 1.060 1385 T HN 0.446 nan 8.240 nan 0.000 0.531 1386 R N 0.528 120.833 120.500 -0.325 0.000 2.092 1386 R HA -0.116 4.223 4.340 -0.001 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 0.245 119.271 119.070 -0.075 0.000 2.557 1387 H HA 0.045 4.601 4.556 -0.001 0.000 0.287 1387 H C 1.734 177.023 175.328 -0.065 0.000 1.043 1387 H CA 1.215 57.232 56.048 -0.053 0.000 1.226 1387 H CB -0.204 29.555 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 3.968 3.960 -0.001 0.000 0.218 1388 G HA3 0.009 3.968 3.960 -0.001 0.000 0.218 1388 G C 1.220 176.095 174.900 -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 1.260 121.151 119.950 -0.099 0.000 2.661 1389 F HA 0.325 4.852 4.527 -0.001 0.000 0.298 1389 F C 1.622 177.332 175.800 -0.150 0.000 1.137 1389 F CA 0.663 58.584 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 0.566 118.819 118.700 -0.745 0.000 2.446 1390 N HA -0.002 4.737 4.740 -0.001 0.000 0.179 1390 N C 1.878 177.268 175.510 -0.199 0.000 1.054 1390 N CA 0.304 53.076 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 0.768 121.173 120.500 -0.158 0.000 2.093 1391 R HA -0.094 4.246 4.340 -0.001 0.000 0.224 1391 R C 1.725 177.998 176.300 -0.045 0.000 1.101 1391 R CA 1.316 57.369 56.100 -0.077 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 0.858 116.542 115.700 -0.027 0.000 2.709 1392 S HA -0.346 4.123 4.470 -0.001 0.000 0.340 1392 S C 0.697 175.298 174.600 0.001 0.000 1.366 1392 S CA 2.050 60.254 58.200 0.007 0.000 1.096 1392 S CB -0.687 62.536 63.200 0.037 0.000 1.016 1392 S HN 0.724 nan 8.310 nan 0.000 0.459 1393 N N -1.437 117.257 118.700 -0.011 0.000 2.963 1393 N HA -0.100 4.640 4.740 -0.001 0.000 0.183 1393 N C -0.244 175.258 175.510 -0.014 0.000 0.994 1393 N CA 0.965 54.009 53.050 -0.010 0.000 1.070 1393 N CB -1.901 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 4.790 4.350 -0.001 0.000 0.295 1394 T C 1.279 175.964 174.700 -0.025 0.000 1.024 1394 T CA 0.491 62.583 62.100 -0.014 0.000 1.018 1394 T CB 0.635 69.500 68.868 -0.005 0.000 1.002 1394 T HN 0.314 nan 8.240 nan 0.000 0.532 1395 G N -0.224 108.566 108.800 -0.016 0.000 2.690 1395 G HA2 0.359 4.318 3.960 -0.001 0.000 0.239 1395 G HA3 0.359 4.318 3.960 -0.001 0.000 0.239 1395 G C 1.202 176.071 174.900 -0.051 0.000 1.233 1395 G CA -0.133 44.958 45.100 -0.015 0.000 0.847 1395 G HN 0.844 nan 8.290 nan 0.000 0.588 1396 A N 0.933 123.696 122.820 -0.094 0.000 1.877 1396 A HA -0.066 4.254 4.320 -0.001 0.000 0.216 1396 A C 2.476 179.966 177.584 -0.158 0.000 1.186 1396 A CA 1.480 53.384 52.037 -0.222 0.000 0.620 1396 A CB -0.500 18.165 19.000 -0.558 0.000 0.822 1396 A HN 0.601 nan 8.150 nan 0.000 0.443 1397 L N -1.212 119.971 121.223 -0.065 0.000 2.081 1397 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 1397 L C 2.919 179.779 176.870 -0.015 0.000 1.080 1397 L CA 1.678 56.506 54.840 -0.020 0.000 0.754 1397 L CB -0.589 41.496 42.059 0.042 0.000 0.893 1397 L HN 0.456 nan 8.230 nan 0.000 0.433 1398 M N -0.510 119.084 119.600 -0.009 0.000 2.065 1398 M HA -0.241 4.238 4.480 -0.001 0.000 0.259 1398 M C 2.519 178.831 176.300 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 32.167 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 -0.173 4.167 4.340 -0.001 0.000 0.243 1399 R C 2.278 178.583 176.300 0.008 0.000 1.145 1399 R CA 1.446 57.536 56.100 -0.017 0.000 0.976 1399 R CB -1.024 29.231 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 4.339 4.460 -0.001 0.000 0.276 1400 C C 2.571 177.566 174.990 0.008 0.000 1.222 1400 C CA 1.613 60.606 59.018 -0.042 0.000 1.746 1400 C CB -0.843 26.861 27.740 -0.060 0.000 2.039 1400 C HN 0.602 nan 8.230 nan 0.000 0.470 1401 S N -1.655 114.073 115.700 0.048 0.000 2.881 1401 S HA 0.142 4.612 4.470 -0.001 0.000 0.228 1401 S C -0.149 174.556 174.600 0.176 0.000 0.965 1401 S CA 0.064 58.311 58.200 0.078 0.000 0.998 1401 S CB -0.607 62.637 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 4.827 4.527 -0.000 0.000 0.336 1402 F C 0.474 176.239 175.800 -0.059 0.000 1.216 1402 F CA -0.764 57.219 58.000 -0.028 0.000 1.065 1402 F CB 0.751 39.754 39.000 0.005 0.000 1.325 1402 F HN 0.185 nan 8.300 nan 0.000 0.524 1403 E N 2.026 121.965 120.200 -0.436 0.000 5.314 1403 E HA -0.352 3.997 4.350 -0.001 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 -0.514 28.932 29.700 -0.424 0.000 1.852 1403 E HN 0.762 nan 8.360 nan 0.000 0.324 1404 E N 0.379 120.560 120.200 -0.033 0.000 3.896 1404 E HA 0.195 4.545 4.350 -0.001 0.000 0.217 1404 E C 0.299 176.866 176.600 -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 -0.189 114.325 114.554 -0.067 0.000 2.520 1405 T HA -0.200 4.150 4.350 -0.001 0.000 0.258 1405 T C 2.022 176.623 174.700 -0.166 0.000 1.125 1405 T CA 1.290 63.328 62.100 -0.103 0.000 1.206 1405 T CB -0.200 68.613 68.868 -0.091 0.000 0.864 1405 T HN 0.090 nan 8.240 nan 0.000 0.400 1406 V N 1.818 121.641 119.914 -0.152 0.000 2.238 1406 V HA -0.363 3.757 4.120 -0.001 0.000 0.253 1406 V C 2.527 178.474 176.094 -0.245 0.000 1.050 1406 V CA 2.401 64.570 62.300 -0.219 0.000 1.045 1406 V CB -0.953 30.869 31.823 -0.001 0.000 0.670 1406 V HN 0.579 nan 8.190 nan 0.000 0.469 1407 E N -0.463 119.746 120.200 0.015 0.000 2.068 1407 E HA -0.291 4.058 4.350 -0.001 0.000 0.207 1407 E C 2.082 178.647 176.600 -0.059 0.000 1.032 1407 E CA 2.169 58.617 56.400 0.081 0.000 0.839 1407 E CB -0.378 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 0.893 121.393 120.570 -0.116 0.000 2.236 1408 I HA -0.310 3.859 4.170 -0.001 0.000 0.249 1408 I C 2.393 178.355 176.117 -0.257 0.000 1.102 1408 I CA 1.062 62.267 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 -0.876 120.132 121.223 -0.358 0.000 2.291 1409 L HA -0.140 4.199 4.340 -0.001 0.000 0.214 1409 L C 2.223 178.839 176.870 -0.423 0.000 1.120 1409 L CA 1.020 55.561 54.840 -0.500 0.000 0.799 1409 L CB -0.246 41.495 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 4.384 4.527 -0.001 0.000 0.290 1410 F C 2.413 178.075 175.800 -0.230 0.000 1.118 1410 F CA 0.738 58.574 58.000 -0.274 0.000 1.199 1410 F CB -0.215 38.458 39.000 -0.546 0.000 1.012 1410 F HN -0.007 nan 8.300 nan 0.000 0.472 1411 E N 0.513 120.685 120.200 -0.047 0.000 2.393 1411 E HA -0.206 4.143 4.350 -0.001 0.000 0.201 1411 E C 1.902 178.436 176.600 -0.111 0.000 1.025 1411 E CA 0.747 57.094 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 4.476 4.320 -0.001 0.000 0.212 1412 A C 2.329 179.840 177.584 -0.121 0.000 1.178 1412 A CA 0.844 52.751 52.037 -0.217 0.000 0.698 1412 A CB -0.327 18.408 19.000 -0.442 0.000 0.842 1412 A HN 0.312 nan 8.150 nan 0.000 0.458 1413 G N -0.198 108.589 108.800 -0.022 0.000 2.395 1413 G HA2 0.122 4.081 3.960 -0.001 0.000 0.214 1413 G HA3 0.122 4.081 3.960 -0.001 0.000 0.214 1413 G C 1.753 176.731 174.900 0.130 0.000 1.177 1413 G CA 1.222 46.411 45.100 0.149 0.000 0.794 1413 G HN 0.678 nan 8.290 nan 0.000 0.532 1414 A N 1.062 123.974 122.820 0.153 0.000 1.884 1414 A HA -0.035 4.285 4.320 -0.001 0.000 0.219 1414 A C 2.050 179.435 177.584 -0.332 0.000 1.197 1414 A CA 2.174 54.208 52.037 -0.005 0.000 0.637 1414 A CB -0.789 18.258 19.000 0.079 0.000 0.827 1414 A HN 0.850 nan 8.150 nan 0.000 0.450 1415 S N -0.472 115.050 115.700 -0.298 0.000 3.334 1415 S HA 0.592 5.062 4.470 -0.001 0.000 0.188 1415 S C 0.332 174.866 174.600 -0.109 0.000 1.404 1415 S CA -0.053 57.961 58.200 -0.310 0.000 1.040 1415 S CB -0.106 62.915 63.200 -0.298 0.000 1.352 1415 S HN 1.461 nan 8.310 nan 0.000 0.501 1416 A N 2.089 124.896 122.820 -0.021 0.000 1.974 1416 A HA -0.137 4.182 4.320 -0.001 0.000 0.334 1416 A C 0.543 178.138 177.584 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 0.043 120.263 120.200 0.034 0.000 2.266 1417 E HA 0.471 4.821 4.350 -0.001 0.000 0.277 1417 E C -0.603 176.038 176.600 0.069 0.000 1.018 1417 E CA -0.802 55.614 56.400 0.026 0.000 0.840 1417 E CB 1.313 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 3.388 124.625 121.223 0.024 0.000 2.316 1418 L HA 0.257 4.596 4.340 -0.001 0.000 0.280 1418 L C -0.936 175.949 176.870 0.024 0.000 1.006 1418 L CA -0.488 54.351 54.840 -0.001 0.000 0.836 1418 L CB 1.228 43.262 42.059 -0.041 0.000 1.221 1418 L HN 0.351 nan 8.230 nan 0.000 0.418 1419 D N 3.155 123.589 120.400 0.056 0.000 2.295 1419 D HA 0.078 4.718 4.640 -0.001 0.000 0.248 1419 D C 0.537 176.844 176.300 0.011 0.000 1.154 1419 D CA 0.010 54.041 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 4.489 4.640 -0.001 0.000 0.201 1420 D C 0.829 177.125 176.300 -0.007 0.000 0.986 1420 D CA 0.662 54.660 54.000 -0.004 0.000 0.847 1420 D CB -0.066 40.733 40.800 -0.002 0.000 0.942 1420 D HN 0.523 nan 8.370 nan 0.000 0.467 1421 C N 0.085 119.385 119.300 -0.000 0.000 4.614 1421 C HA -0.144 4.315 4.460 -0.001 0.000 0.300 1421 C C 1.186 176.172 174.990 -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 25.269 27.740 -0.017 0.000 1.219 1421 C HN 0.396 nan 8.230 nan 0.000 0.772 1422 R N -0.202 120.299 120.500 0.000 0.000 2.508 1422 R HA 0.294 4.633 4.340 -0.001 0.000 0.300 1422 R C 1.024 177.327 176.300 0.005 0.000 0.970 1422 R CA 0.564 56.666 56.100 0.005 0.000 1.102 1422 R CB 0.798 31.107 30.300 0.014 0.000 1.246 1422 R HN 0.569 nan 8.270 nan 0.000 0.539 1423 G N -0.262 108.537 108.800 -0.001 0.000 2.400 1423 G HA2 0.240 4.199 3.960 -0.001 0.000 0.301 1423 G HA3 0.240 4.199 3.960 -0.001 0.000 0.301 1423 G C 0.908 175.800 174.900 -0.013 0.000 1.154 1423 G CA -0.565 44.531 45.100 -0.005 0.000 0.852 1423 G HN -0.075 nan 8.290 nan 0.000 0.511 1424 V N 1.557 121.458 119.914 -0.022 0.000 2.427 1424 V HA -0.174 3.946 4.120 -0.001 0.000 0.248 1424 V C 2.902 178.983 176.094 -0.021 0.000 1.051 1424 V CA 2.479 64.762 62.300 -0.028 0.000 1.048 1424 V CB -0.270 31.529 31.823 -0.039 0.000 0.666 1424 V HN 0.743 nan 8.190 nan 0.000 0.456 1425 S N -0.082 115.609 115.700 -0.015 0.000 2.419 1425 S HA -0.191 4.279 4.470 -0.001 0.000 0.233 1425 S C 1.681 176.279 174.600 -0.003 0.000 1.016 1425 S CA 1.417 59.613 58.200 -0.007 0.000 0.974 1425 S CB -0.237 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 1.456 121.655 120.200 -0.002 0.000 2.140 1426 E HA 0.091 4.440 4.350 -0.001 0.000 0.191 1426 E C 1.522 178.118 176.600 -0.006 0.000 0.973 1426 E CA 0.186 56.587 56.400 0.002 0.000 0.829 1426 E CB -0.185 29.520 29.700 0.010 0.000 0.781 1426 E HN 0.365 nan 8.360 nan 0.000 0.466 1427 N N 1.023 119.715 118.700 -0.013 0.000 2.381 1427 N HA -0.085 4.655 4.740 -0.001 0.000 0.182 1427 N C 1.812 177.309 175.510 -0.021 0.000 1.025 1427 N CA 0.593 53.631 53.050 -0.020 0.000 0.888 1427 N CB 0.286 38.757 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 4.045 4.120 -0.001 0.000 0.249 1428 V C 2.116 178.202 176.094 -0.014 0.000 1.055 1428 V CA 0.900 63.189 62.300 -0.018 0.000 1.065 1428 V CB -0.100 31.712 31.823 -0.017 0.000 0.681 1428 V HN 0.219 nan 8.190 nan 0.000 0.462 1429 I N -0.548 120.016 120.570 -0.010 0.000 2.617 1429 I HA -0.117 4.053 4.170 -0.001 0.000 0.256 1429 I C 1.644 177.754 176.117 -0.012 0.000 1.167 1429 I CA 1.297 62.593 61.300 -0.007 0.000 1.469 1429 I CB 0.006 38.007 38.000 0.001 0.000 1.098 1429 I HN 0.249 nan 8.210 nan 0.000 0.436 1430 L N 0.427 121.640 121.223 -0.016 0.000 2.667 1430 L HA 0.309 4.649 4.340 -0.001 0.000 0.232 1430 L C 1.159 178.015 176.870 -0.023 0.000 1.138 1430 L CA -0.031 54.796 54.840 -0.022 0.000 0.921 1430 L CB -0.161 41.882 42.059 -0.026 0.000 1.180 1430 L HN 0.351 nan 8.230 nan 0.000 0.487 1431 G N 1.248 110.035 108.800 -0.021 0.000 2.366 1431 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.299 1431 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.299 1431 G C -0.043 174.842 174.900 -0.025 0.000 1.020 1431 G CA 0.273 45.360 45.100 -0.021 0.000 1.026 1431 G HN 0.526 nan 8.290 nan 0.000 0.512 1432 Q N -0.671 119.112 119.800 -0.028 0.000 2.458 1432 Q HA 0.670 5.009 4.340 -0.001 0.000 0.282 1432 Q C 0.663 176.640 176.000 -0.038 0.000 1.106 1432 Q CA -1.259 54.524 55.803 -0.033 0.000 0.814 1432 Q CB 1.319 30.037 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 0.338 4.818 4.480 -0.001 0.000 0.307 1433 M C -0.198 176.068 176.300 -0.056 0.000 1.116 1433 M CA 0.447 55.713 55.300 -0.056 0.000 1.181 1433 M CB 0.480 33.035 32.600 -0.074 0.000 1.410 1433 M HN 0.867 nan 8.290 nan 0.000 0.454 1434 A N 2.178 124.961 122.820 -0.062 0.000 2.486 1434 A HA 0.691 5.011 4.320 -0.001 0.000 0.289 1434 A C -2.548 174.996 177.584 -0.068 0.000 1.176 1434 A CA -1.287 50.717 52.037 -0.055 0.000 0.757 1434 A CB 0.845 19.818 19.000 -0.045 0.000 1.337 1434 A HN 0.502 nan 8.150 nan 0.000 0.423 1435 P HA 0.240 nan 4.420 nan 0.000 0.232 1435 P C -0.721 176.531 177.300 -0.079 0.000 1.738 1435 P CA 0.607 63.672 63.100 -0.058 0.000 0.948 1435 P CB -0.514 31.171 31.700 -0.025 0.000 1.943 1436 I N -1.168 119.355 120.570 -0.078 0.000 3.501 1436 I HA 0.278 4.447 4.170 -0.001 0.000 0.297 1436 I C 2.140 178.230 176.117 -0.045 0.000 1.199 1436 I CA -0.706 60.551 61.300 -0.070 0.000 0.987 1436 I CB 0.535 38.499 38.000 -0.060 0.000 1.365 1436 I HN 0.070 nan 8.210 nan 0.000 0.574 1437 G N 0.341 109.131 108.800 -0.016 0.000 2.599 1437 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.219 1437 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.219 1437 G C 1.287 176.285 174.900 0.164 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 0.160 4.510 4.350 -0.001 0.000 0.270 1438 T C 1.605 176.084 174.700 -0.367 0.000 1.088 1438 T CA 1.143 63.232 62.100 -0.019 0.000 1.127 1438 T CB 0.017 68.881 68.868 -0.006 0.000 0.883 1438 T HN 0.419 nan 8.240 nan 0.000 0.493 1439 G N -0.298 108.342 108.800 -0.266 0.000 4.912 1439 G HA2 0.590 4.550 3.960 -0.001 0.000 0.307 1439 G HA3 0.590 4.550 3.960 -0.001 0.000 0.307 1439 G C 0.559 175.328 174.900 -0.219 0.000 1.381 1439 G CA 0.222 45.140 45.100 -0.303 0.000 1.057 1439 G HN 0.363 nan 8.290 nan 0.000 0.593 1440 A N 0.534 123.216 122.820 -0.231 0.000 1.997 1440 A HA 0.609 4.929 4.320 -0.001 0.000 0.198 1440 A C 0.536 178.199 177.584 0.132 0.000 1.449 1440 A CA 0.139 52.207 52.037 0.051 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 -0.234 119.811 119.950 0.159 0.000 2.425 1441 F HA 0.751 5.278 4.527 -0.001 0.000 0.331 1441 F C -0.598 175.217 175.800 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 39.688 39.000 0.101 0.000 1.177 1441 F HN -0.129 nan 8.300 nan 0.000 0.487 1442 D N 1.475 121.905 120.400 0.049 0.000 2.217 1442 D HA 0.499 5.139 4.640 -0.001 0.000 0.248 1442 D C -0.912 175.459 176.300 0.119 0.000 1.008 1442 D CA -0.219 53.775 54.000 -0.010 0.000 0.914 1442 D CB 2.570 43.362 40.800 -0.014 0.000 1.182 1442 D HN 0.430 nan 8.370 nan 0.000 0.451 1443 V N 3.198 123.162 119.914 0.083 0.000 2.459 1443 V HA 0.547 4.667 4.120 -0.001 0.000 0.295 1443 V C 0.249 176.379 176.094 0.060 0.000 1.029 1443 V CA -0.439 61.932 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 3.883 123.515 119.600 0.053 0.000 2.569 1444 M HA 0.575 5.055 4.480 -0.001 0.000 0.279 1444 M C -0.767 175.550 176.300 0.028 0.000 1.253 1444 M CA -0.541 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 4.170 4.170 -0.001 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