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 1r5u_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 NSYLRGLXPQ EFFFHAMGGR EGLIDTAVKT AETGYIQRRL VKALEDIMVH DATA SEQUENCE YDNTTRNSLG NVIQFIYGED GMDAAHIEKQ SLDTIGGSDA AFEKRYRVDL DATA SEQUENCE LNTDHTLDPS LLESGSEILG DLKLQVLLDE EYKQLVKDRK FLREVFVDGE DATA SEQUENCE ANWPLPVNIR RIIQNAQQTF HIDHTKPSDL TIKDIVLGVK DLQENLLVLR DATA SEQUENCE GKNEIIQNAQ RDAVTLFCCL LRSRLATRRV LQEYRLTKQA FDWVLSNIEA DATA SEQUENCE QFLRSVVHPG EMVGVLAAQS IGEPATQMTL XXXXXXXXXX KKVTSGVPRL DATA SEQUENCE KEILNVAKNM KTPSLTVYLE PGHAADQEQA KLIRSAIEHT TLKSVTIASE DATA SEQUENCE IYYDPDPRST VIPEDEEIIQ LHFSLXXXXX XXXXXQQSPW LLRLELDRAA DATA SEQUENCE MNDKDLTMGQ VGERIKQTFK NDLFVIWSED NDEKLIIRCR VVXXXXXXXX DATA SEQUENCE XXAEEDHMLK KIENTMLENI TLRGVENIER VVMMKYDRKV PSPTGEYVKE DATA SEQUENCE PEWVLETDGV NLSEVMTVPG IDPTRIYTNS FIDIMEVLGI EAGRAALYKE DATA SEQUENCE VYNVIASDGS YVNYRHMALL VDVMTTQGGL TSVTRHGFNR SNTGALMRCS DATA SEQUENCE FEETVEILFE AGASAELDDC RGVSENVILG QMAPIGTGAF DVMI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 V HA 0.000 nan 4.120 nan 0.000 0.244 2 V C 0.000 176.081 176.094 -0.022 0.000 1.182 2 V CA 0.000 62.286 62.300 -0.024 0.000 1.235 2 V CB 0.000 31.811 31.823 -0.021 0.000 1.184 3 G N 0.685 109.472 108.800 -0.022 0.000 4.379 3 G HA2 0.605 4.565 3.960 -0.000 0.000 0.290 3 G HA3 0.605 4.565 3.960 -0.000 0.000 0.290 3 G C -0.252 174.637 174.900 -0.018 0.000 1.065 3 G CA 0.130 45.216 45.100 -0.024 0.000 0.833 3 G HN 0.419 nan 8.290 nan 0.000 0.512 4 Q N -0.354 119.439 119.800 -0.012 0.000 2.873 4 Q HA 0.473 4.813 4.340 -0.000 0.000 0.297 4 Q C -0.184 175.824 176.000 0.013 0.000 1.064 4 Q CA -0.830 54.972 55.803 -0.003 0.000 0.816 4 Q CB 1.312 30.046 28.738 -0.006 0.000 1.481 4 Q HN 0.304 nan 8.270 nan 0.000 0.488 5 Q N -0.213 119.604 119.800 0.027 0.000 2.396 5 Q HA 0.146 4.486 4.340 -0.000 0.000 0.221 5 Q C -0.678 175.377 176.000 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 0.939 121.236 120.300 -0.005 0.000 2.139 6 Y HA -0.051 4.499 4.550 -0.000 0.000 0.368 6 Y C 0.091 175.990 175.900 -0.000 0.000 1.260 6 Y CA 1.225 59.324 58.100 -0.003 0.000 1.696 6 Y CB 0.599 39.058 38.460 -0.001 0.000 1.439 6 Y HN 0.668 nan 8.280 nan 0.000 0.707 7 S N -0.720 114.895 115.700 -0.142 0.000 2.550 7 S HA 0.181 4.651 4.470 -0.000 0.000 0.274 7 S C 0.135 174.700 174.600 -0.058 0.000 1.110 7 S CA -0.309 57.859 58.200 -0.054 0.000 1.013 7 S CB 0.407 63.544 63.200 -0.105 0.000 1.152 7 S HN 0.828 nan 8.310 nan 0.000 0.450 8 S N 2.786 118.549 115.700 0.104 0.000 2.392 8 S HA -0.028 4.442 4.470 -0.000 0.000 0.232 8 S C 1.299 175.911 174.600 0.021 0.000 1.041 8 S CA 0.739 59.002 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 1.893 nan 8.310 nan 0.000 0.465 9 A N 4.237 127.053 122.820 -0.008 0.000 2.561 9 A HA 0.405 4.725 4.320 -0.000 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 -0.790 176.476 177.300 -0.057 0.000 1.240 10 P CA -0.481 62.590 63.100 -0.048 0.000 0.798 10 P CB 1.038 32.722 31.700 -0.026 0.000 0.979 11 L N 3.152 124.336 121.223 -0.066 0.000 2.334 11 L HA 0.499 4.839 4.340 -0.000 0.000 0.277 11 L C 0.107 176.950 176.870 -0.045 0.000 1.075 11 L CA 0.060 54.863 54.840 -0.062 0.000 0.804 11 L CB 0.446 42.461 42.059 -0.073 0.000 1.174 11 L HN 0.412 nan 8.230 nan 0.000 0.438 12 R N 2.131 122.606 120.500 -0.042 0.000 2.781 12 R HA 0.551 4.891 4.340 -0.000 0.000 0.269 12 R C -1.219 175.059 176.300 -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 -0.033 0.000 1.236 12 R HN 0.585 nan 8.270 nan 0.000 0.465 13 T N 1.187 115.720 114.554 -0.036 0.000 2.794 13 T HA 0.276 4.626 4.350 -0.000 0.000 0.280 13 T C 0.170 174.846 174.700 -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 0.167 nan 8.240 nan 0.000 0.449 14 V N 4.055 123.944 119.914 -0.043 0.000 3.032 14 V HA 0.113 4.233 4.120 -0.000 0.000 0.307 14 V C 1.062 177.129 176.094 -0.045 0.000 1.097 14 V CA 0.338 62.608 62.300 -0.050 0.000 1.191 14 V CB 0.511 32.299 31.823 -0.058 0.000 0.964 14 V HN 0.842 nan 8.190 nan 0.000 0.494 15 K N 1.393 121.764 120.400 -0.048 0.000 2.567 15 K HA 0.375 4.695 4.320 -0.000 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 33.740 32.500 -0.033 0.000 1.186 15 K HN 0.799 nan 8.250 nan 0.000 0.593 16 E N 0.366 120.528 120.200 -0.062 0.000 2.412 16 E HA 0.447 4.797 4.350 -0.000 0.000 0.279 16 E C -1.358 175.168 176.600 -0.124 0.000 0.984 16 E CA -0.874 55.481 56.400 -0.075 0.000 0.788 16 E CB 3.000 32.655 29.700 -0.076 0.000 1.277 16 E HN -0.282 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 -0.000 0.000 0.297 17 V C -0.823 175.069 176.094 -0.337 0.000 1.035 17 V CA -0.794 61.333 62.300 -0.288 0.000 0.867 17 V CB 1.678 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 4.049 123.577 119.800 -0.454 0.000 2.509 18 Q HA 0.460 4.800 4.340 -0.000 0.000 0.230 18 Q C -0.694 174.994 176.000 -0.520 0.000 1.089 18 Q CA -0.236 55.273 55.803 -0.490 0.000 0.901 18 Q CB 0.542 28.866 28.738 -0.689 0.000 1.208 18 Q HN 0.574 nan 8.270 nan 0.000 0.529 19 F N 0.162 119.965 119.950 -0.245 0.000 2.440 19 F HA 0.574 5.101 4.527 -0.000 0.000 0.323 19 F C 1.522 177.240 175.800 -0.137 0.000 1.192 19 F CA 0.992 58.886 58.000 -0.177 0.000 1.252 19 F CB 0.968 39.894 39.000 -0.125 0.000 1.214 19 F HN 0.524 nan 8.300 nan 0.000 0.578 20 G N 0.203 109.083 108.800 0.132 0.000 2.335 20 G HA2 0.444 4.404 3.960 -0.000 0.000 0.291 20 G HA3 0.444 4.404 3.960 -0.000 0.000 0.291 20 G C -2.031 172.926 174.900 0.094 0.000 1.261 20 G CA -1.034 44.153 45.100 0.143 0.000 0.871 20 G HN 0.535 nan 8.290 nan 0.000 0.491 21 L N -0.328 120.954 121.223 0.098 0.000 2.303 21 L HA 0.609 4.949 4.340 -0.000 0.000 0.266 21 L C -0.753 176.000 176.870 -0.196 0.000 1.011 21 L CA -0.879 53.972 54.840 0.018 0.000 0.818 21 L CB 2.450 44.599 42.059 0.149 0.000 1.326 21 L HN 0.476 nan 8.230 nan 0.000 0.435 22 F N 1.066 120.871 119.950 -0.242 0.000 2.375 22 F HA 0.157 4.684 4.527 -0.000 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 1.389 40.286 39.000 -0.172 0.000 1.205 22 F HN 0.492 nan 8.300 nan 0.000 0.513 23 S N 5.291 120.434 115.700 -0.929 0.000 2.533 23 S HA 0.064 4.534 4.470 -0.000 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 0.897 63.586 63.200 -0.852 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 0.751 178.017 177.300 -0.056 0.000 1.142 24 P CA 1.162 64.238 63.100 -0.039 0.000 0.788 24 P CB 0.186 31.927 31.700 0.068 0.000 0.767 25 E N 0.414 120.589 120.200 -0.041 0.000 2.016 25 E HA -0.159 4.191 4.350 -0.000 0.000 0.190 25 E C 2.214 178.745 176.600 -0.115 0.000 0.985 25 E CA 1.105 57.480 56.400 -0.041 0.000 0.802 25 E CB -0.795 28.920 29.700 0.025 0.000 0.762 25 E HN 0.350 nan 8.360 nan 0.000 0.448 26 E N 0.236 120.346 120.200 -0.149 0.000 2.153 26 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 26 E C 1.851 178.250 176.600 -0.335 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 1.048 120.702 119.914 -0.433 0.000 2.392 27 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 27 V C 2.345 178.252 176.094 -0.312 0.000 1.059 27 V CA 2.151 64.133 62.300 -0.529 0.000 1.051 27 V CB -0.509 31.100 31.823 -0.356 0.000 0.658 27 V HN 0.272 nan 8.190 nan 0.000 0.455 28 R N 0.111 120.445 120.500 -0.278 0.000 2.080 28 R HA 0.078 4.418 4.340 -0.000 0.000 0.222 28 R C 2.534 178.673 176.300 -0.268 0.000 1.107 28 R CA 1.155 57.020 56.100 -0.391 0.000 0.980 28 R CB -0.646 29.407 30.300 -0.413 0.000 0.879 28 R HN 0.478 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 -0.000 0.000 0.219 29 A C 2.155 179.668 177.584 -0.119 0.000 1.191 29 A CA 1.502 53.460 52.037 -0.132 0.000 0.638 29 A CB -0.581 18.359 19.000 -0.099 0.000 0.823 29 A HN 0.190 nan 8.150 nan 0.000 0.451 30 I N 0.001 120.483 120.570 -0.146 0.000 2.162 30 I HA -0.125 4.045 4.170 -0.000 0.000 0.238 30 I C 1.784 177.861 176.117 -0.066 0.000 1.076 30 I CA 0.778 62.013 61.300 -0.109 0.000 1.353 30 I CB -0.507 37.393 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 4.394 4.470 -0.000 0.000 0.285 31 S C 0.681 175.284 174.600 0.004 0.000 1.312 31 S CA 0.526 58.730 58.200 0.007 0.000 1.026 31 S CB 0.905 64.113 63.200 0.013 0.000 0.801 31 S HN 0.282 nan 8.310 nan 0.000 0.504 32 V N -1.009 118.934 119.914 0.050 0.000 3.380 32 V HA 0.658 4.778 4.120 -0.000 0.000 0.277 32 V C 0.723 176.847 176.094 0.048 0.000 1.590 32 V CA 0.172 62.487 62.300 0.026 0.000 1.019 32 V CB -0.979 30.848 31.823 0.007 0.000 0.828 32 V HN 1.123 nan 8.190 nan 0.000 0.427 33 A N 0.807 123.678 122.820 0.086 0.000 2.263 33 A HA 0.876 5.195 4.320 -0.000 0.000 0.318 33 A C 0.637 178.303 177.584 0.137 0.000 1.111 33 A CA -0.012 52.079 52.037 0.089 0.000 0.901 33 A CB 1.762 20.809 19.000 0.077 0.000 1.280 33 A HN 0.276 nan 8.150 nan 0.000 0.503 34 K N -0.970 119.492 120.400 0.102 0.000 2.631 34 K HA 0.397 4.717 4.320 -0.000 0.000 0.200 34 K C -0.778 175.827 176.600 0.009 0.000 1.481 34 K CA 0.084 56.431 56.287 0.099 0.000 1.087 34 K CB 0.262 32.826 32.500 0.106 0.000 1.502 34 K HN 0.571 nan 8.250 nan 0.000 0.560 35 I N 2.813 123.406 120.570 0.038 0.000 8.325 35 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 35 I C 0.104 176.239 176.117 0.030 0.000 1.788 35 I CA 0.492 61.814 61.300 0.038 0.000 2.146 35 I CB -0.313 37.688 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 -0.000 0.000 0.233 36 R C -0.413 175.858 176.300 -0.050 0.000 0.895 36 R CA 0.221 56.349 56.100 0.046 0.000 1.028 36 R CB 0.454 30.823 30.300 0.114 0.000 1.255 36 R HN 0.325 nan 8.270 nan 0.000 0.571 37 F N 2.133 122.073 119.950 -0.016 0.000 2.458 37 F HA 0.355 4.882 4.527 -0.000 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 1.907 40.903 39.000 -0.006 0.000 1.130 37 F HN -0.195 nan 8.300 nan 0.000 0.458 38 P HA -0.051 nan 4.420 nan 0.000 0.231 38 P C -0.174 177.185 177.300 0.099 0.000 1.168 38 P CA 0.702 63.841 63.100 0.065 0.000 0.779 38 P CB 0.398 32.106 31.700 0.013 0.000 0.844 39 E N -0.281 120.011 120.200 0.153 0.000 2.428 39 E HA 0.062 4.412 4.350 -0.000 0.000 0.257 39 E C 0.808 177.466 176.600 0.097 0.000 1.197 39 E CA 0.388 56.863 56.400 0.125 0.000 0.974 39 E CB 0.382 30.174 29.700 0.154 0.000 0.976 39 E HN 0.061 nan 8.360 nan 0.000 0.463 40 T N 0.341 114.937 114.554 0.070 0.000 3.480 40 T HA 0.079 4.429 4.350 -0.000 0.000 0.229 40 T C 1.575 176.290 174.700 0.025 0.000 0.944 40 T CA 0.425 62.557 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 4.759 4.480 -0.000 0.000 0.254 41 M C -0.255 176.040 176.300 -0.009 0.000 1.299 41 M CA -0.033 55.269 55.300 0.002 0.000 1.143 41 M CB 0.517 33.121 32.600 0.006 0.000 1.427 41 M HN 0.030 nan 8.290 nan 0.000 0.538 42 D N 2.999 123.398 120.400 -0.003 0.000 2.423 42 D HA 0.104 4.744 4.640 -0.000 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 0.315 120.496 120.200 -0.030 0.000 2.642 43 E HA 0.150 4.500 4.350 -0.000 0.000 0.284 43 E C -0.729 175.853 176.600 -0.030 0.000 1.039 43 E CA -0.425 55.949 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 2.014 116.554 114.554 -0.022 0.000 4.146 44 T HA -0.302 4.048 4.350 -0.000 0.000 0.336 44 T C 0.807 175.501 174.700 -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 -2.513 117.282 119.800 -0.008 0.000 5.585 45 Q HA -0.174 4.166 4.340 -0.000 0.000 0.279 45 Q C 0.361 176.357 176.000 -0.007 0.000 2.184 45 Q CA 1.613 57.413 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 3.501 118.049 114.554 -0.011 0.000 2.596 46 T HA -0.062 4.288 4.350 -0.000 0.000 0.252 46 T C 0.240 174.932 174.700 -0.013 0.000 1.033 46 T CA 0.636 62.728 62.100 -0.012 0.000 1.215 46 T CB -0.031 68.827 68.868 -0.016 0.000 1.011 46 T HN 0.099 nan 8.240 nan 0.000 0.498 47 R N 2.071 122.565 120.500 -0.009 0.000 2.643 47 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 47 R C 0.722 177.015 176.300 -0.011 0.000 1.061 47 R CA 0.280 56.375 56.100 -0.008 0.000 1.107 47 R CB 0.485 30.783 30.300 -0.004 0.000 0.999 47 R HN 0.843 nan 8.270 nan 0.000 0.460 48 A N 2.010 124.823 122.820 -0.012 0.000 3.528 48 A HA 0.272 4.592 4.320 -0.000 0.000 0.068 48 A C -1.393 176.184 177.584 -0.013 0.000 1.348 48 A CA -0.579 51.450 52.037 -0.014 0.000 1.666 48 A CB 0.603 19.591 19.000 -0.020 0.000 1.615 48 A HN 0.525 nan 8.150 nan 0.000 0.716 49 K N -0.473 119.914 120.400 -0.021 0.000 2.622 49 K HA 0.602 4.922 4.320 -0.000 0.000 0.273 49 K C -1.574 175.001 176.600 -0.042 0.000 0.957 49 K CA -0.399 55.875 56.287 -0.020 0.000 0.861 49 K CB 1.863 34.358 32.500 -0.009 0.000 1.405 49 K HN 0.584 nan 8.250 nan 0.000 0.406 50 I N 0.066 120.604 120.570 -0.054 0.000 2.924 50 I HA 0.245 4.415 4.170 -0.000 0.000 0.316 50 I C 1.620 177.698 176.117 -0.066 0.000 1.014 50 I CA -0.555 60.681 61.300 -0.107 0.000 1.106 50 I CB 1.310 39.186 38.000 -0.208 0.000 1.311 50 I HN 0.911 nan 8.210 nan 0.000 0.502 51 G N 1.848 110.597 108.800 -0.085 0.000 2.740 51 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.208 51 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.208 51 G C 0.872 175.805 174.900 0.055 0.000 1.148 51 G CA 0.559 45.651 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 0.319 4.279 3.960 -0.000 0.000 0.155 52 G HA3 0.319 4.279 3.960 -0.000 0.000 0.155 52 G C 0.686 175.636 174.900 0.083 0.000 1.875 52 G CA -0.487 44.706 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 0.068 4.408 4.340 -0.000 0.000 0.212 53 L C 0.418 177.305 176.870 0.028 0.000 1.200 53 L CA -0.205 54.660 54.840 0.042 0.000 0.841 53 L CB -0.200 41.884 42.059 0.043 0.000 1.299 53 L HN 0.678 nan 8.230 nan 0.000 0.538 54 N N 0.836 119.545 118.700 0.015 0.000 2.391 54 N HA -0.238 4.502 4.740 -0.000 0.000 0.316 54 N C -0.606 174.912 175.510 0.014 0.000 1.189 54 N CA 1.278 54.333 53.050 0.009 0.000 0.861 54 N CB -0.367 38.120 38.487 -0.001 0.000 1.098 54 N HN 0.822 nan 8.380 nan 0.000 0.558 55 D N 0.923 121.334 120.400 0.019 0.000 1.818 55 D HA 0.009 4.649 4.640 -0.000 0.000 0.138 55 D C -1.858 174.454 176.300 0.020 0.000 1.475 55 D CA 0.496 54.506 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 0.213 nan 8.370 nan 0.000 0.196 56 P HA -0.249 nan 4.420 nan 0.000 0.227 56 P C 0.506 177.815 177.300 0.014 0.000 0.926 56 P CA 3.160 66.271 63.100 0.018 0.000 1.077 56 P CB -0.057 31.661 31.700 0.030 0.000 0.699 57 R N -3.867 116.646 120.500 0.022 0.000 2.591 57 R HA 0.255 4.595 4.340 -0.000 0.000 0.288 57 R C 0.768 177.091 176.300 0.039 0.000 0.947 57 R CA -0.314 55.792 56.100 0.010 0.000 1.085 57 R CB -0.083 30.206 30.300 -0.017 0.000 1.618 57 R HN 0.123 nan 8.270 nan 0.000 0.524 58 L N 0.760 122.028 121.223 0.076 0.000 2.435 58 L HA 0.086 4.426 4.340 -0.000 0.000 0.258 58 L C 1.627 178.582 176.870 0.143 0.000 1.257 58 L CA 0.364 55.291 54.840 0.146 0.000 0.823 58 L CB -0.224 41.887 42.059 0.086 0.000 1.111 58 L HN 0.129 nan 8.230 nan 0.000 0.543 59 G N -0.417 108.467 108.800 0.140 0.000 2.443 59 G HA2 0.299 4.259 3.960 -0.000 0.000 0.286 59 G HA3 0.299 4.259 3.960 -0.000 0.000 0.286 59 G C 0.048 174.974 174.900 0.042 0.000 1.393 59 G CA 0.384 45.532 45.100 0.081 0.000 1.080 59 G HN 0.856 nan 8.290 nan 0.000 0.566 60 S N -2.394 113.319 115.700 0.022 0.000 2.843 60 S HA 0.736 5.206 4.470 -0.000 0.000 0.301 60 S C -0.354 174.246 174.600 0.002 0.000 1.206 60 S CA -0.755 57.452 58.200 0.012 0.000 0.875 60 S CB 1.014 64.223 63.200 0.014 0.000 1.248 60 S HN 0.587 nan 8.310 nan 0.000 0.555 61 I N -0.617 119.953 120.570 0.000 0.000 3.911 61 I HA 0.444 4.614 4.170 -0.000 0.000 0.262 61 I C -0.525 175.591 176.117 -0.002 0.000 1.097 61 I CA -0.971 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 1.772 122.170 120.400 -0.004 0.000 2.903 62 D HA -0.215 4.425 4.640 -0.000 0.000 0.228 62 D C -0.218 176.081 176.300 -0.002 0.000 1.178 62 D CA 1.088 55.086 54.000 -0.003 0.000 0.740 62 D CB -0.637 40.162 40.800 -0.002 0.000 1.077 62 D HN 0.523 nan 8.370 nan 0.000 0.419 63 R N -1.103 119.396 120.500 -0.002 0.000 3.205 63 R HA -0.183 4.157 4.340 -0.000 0.000 0.249 63 R C -0.738 175.563 176.300 0.001 0.000 0.937 63 R CA 0.482 56.582 56.100 -0.001 0.000 0.641 63 R CB -1.612 28.687 30.300 -0.001 0.000 1.114 63 R HN 0.226 nan 8.270 nan 0.000 0.451 64 N N 1.370 120.072 118.700 0.003 0.000 2.443 64 N HA 0.173 4.913 4.740 -0.000 0.000 0.269 64 N C 1.337 176.853 175.510 0.009 0.000 0.985 64 N CA -0.579 52.474 53.050 0.005 0.000 0.921 64 N CB 1.230 39.720 38.487 0.004 0.000 1.195 64 N HN 0.102 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 -0.000 0.000 0.215 65 L C 0.863 177.745 176.870 0.020 0.000 1.095 65 L CA 1.343 56.191 54.840 0.014 0.000 0.764 65 L CB -0.313 41.753 42.059 0.012 0.000 0.897 65 L HN 0.322 nan 8.230 nan 0.000 0.436 66 K N 0.011 120.422 120.400 0.017 0.000 2.524 66 K HA 0.030 4.350 4.320 -0.000 0.000 0.279 66 K C -0.342 176.279 176.600 0.035 0.000 0.993 66 K CA 0.221 56.520 56.287 0.020 0.000 1.030 66 K CB 0.615 33.123 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 -0.000 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 3.763 123.544 119.800 -0.032 0.000 2.426 68 Q HA -0.190 4.150 4.340 -0.000 0.000 0.359 68 Q C 0.956 176.909 176.000 -0.078 0.000 1.381 68 Q CA 1.223 56.957 55.803 -0.115 0.000 1.060 68 Q CB -0.690 27.843 28.738 -0.341 0.000 1.253 68 Q HN 1.132 nan 8.270 nan 0.000 0.363 69 T N -3.239 111.295 114.554 -0.033 0.000 3.866 69 T HA -0.318 4.032 4.350 -0.000 0.000 0.344 69 T C 0.912 175.608 174.700 -0.006 0.000 0.760 69 T CA 1.202 63.291 62.100 -0.017 0.000 1.852 69 T CB -1.874 66.981 68.868 -0.022 0.000 1.891 69 T HN 0.868 nan 8.240 nan 0.000 0.783 70 C N -0.592 118.712 119.300 0.007 0.000 3.183 70 C HA 0.382 4.842 4.460 -0.000 0.000 0.285 70 C C 1.626 176.646 174.990 0.050 0.000 1.313 70 C CA 0.358 59.399 59.018 0.037 0.000 1.711 70 C CB -0.396 27.390 27.740 0.076 0.000 2.135 70 C HN 0.778 nan 8.230 nan 0.000 0.651 71 Q N 0.772 120.596 119.800 0.040 0.000 1.932 71 Q HA -0.373 3.967 4.340 -0.000 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 -1.227 27.526 28.738 0.025 0.000 3.472 71 Q HN 0.563 nan 8.270 nan 0.000 0.793 72 E N -1.148 119.071 120.200 0.032 0.000 4.540 72 E HA -0.302 4.048 4.350 -0.000 0.000 0.175 72 E C 0.686 177.298 176.600 0.019 0.000 1.236 72 E CA 2.553 58.969 56.400 0.027 0.000 2.396 72 E CB -1.742 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 -0.122 3.838 3.960 -0.000 0.000 0.686 73 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.686 73 G C 0.012 174.916 174.900 0.006 0.000 1.274 73 G CA -0.058 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 2.087 121.687 119.600 0.001 0.000 3.583 74 M HA 0.132 4.612 4.480 -0.000 0.000 0.177 74 M C 0.612 176.904 176.300 -0.013 0.000 1.792 74 M CA 0.798 56.093 55.300 -0.008 0.000 1.798 74 M CB -1.026 31.569 32.600 -0.010 0.000 1.315 74 M HN 0.626 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 -0.000 0.000 0.096 75 N C -0.304 175.200 175.510 -0.011 0.000 0.911 75 N CA 0.457 53.498 53.050 -0.015 0.000 1.266 75 N CB 0.501 38.979 38.487 -0.014 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 -0.000 0.000 0.354 76 E C -1.029 175.566 176.600 -0.008 0.000 0.673 76 E CA 1.202 57.596 56.400 -0.010 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 3.013 122.299 119.300 -0.023 0.000 2.138 77 C HA 0.447 4.907 4.460 -0.000 0.000 0.398 77 C C -1.923 172.986 174.990 -0.135 0.000 1.029 77 C CA -1.605 57.388 59.018 -0.043 0.000 1.426 77 C CB -0.559 27.166 27.740 -0.025 0.000 1.652 77 C HN 0.223 nan 8.230 nan 0.000 0.486 78 P HA 0.113 nan 4.420 nan 0.000 0.254 78 P C 0.779 177.848 177.300 -0.386 0.000 1.186 78 P CA 0.903 63.904 63.100 -0.166 0.000 0.868 78 P CB 0.019 31.677 31.700 -0.071 0.000 0.856 79 G N 4.367 113.009 108.800 -0.264 0.000 2.168 79 G HA2 -0.102 3.857 3.960 -0.000 0.000 0.240 79 G HA3 -0.102 3.857 3.960 -0.000 0.000 0.240 79 G C -0.113 174.620 174.900 -0.278 0.000 1.080 79 G CA -0.223 44.711 45.100 -0.277 0.000 0.877 79 G HN 0.587 nan 8.290 nan 0.000 0.446 80 H N 1.704 120.812 119.070 0.064 0.000 2.467 80 H HA 0.292 4.848 4.556 -0.000 0.000 0.326 80 H C -0.068 175.336 175.328 0.128 0.000 1.094 80 H CA -0.691 55.439 56.048 0.138 0.000 1.253 80 H CB 1.037 30.852 29.762 0.089 0.000 1.439 80 H HN 0.304 nan 8.280 nan 0.000 0.479 81 F N 0.958 120.992 119.950 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 0.719 39.755 39.000 0.061 0.000 1.161 81 F HN 0.566 nan 8.300 nan 0.000 0.583 82 G N 0.223 109.126 108.800 0.171 0.000 2.702 82 G HA2 0.450 4.410 3.960 -0.000 0.000 0.254 82 G HA3 0.450 4.410 3.960 -0.000 0.000 0.254 82 G C -1.859 173.150 174.900 0.182 0.000 1.380 82 G CA -0.293 44.888 45.100 0.136 0.000 1.042 82 G HN 0.684 nan 8.290 nan 0.000 0.557 83 H N -1.653 117.431 119.070 0.023 0.000 2.930 83 H HA 0.710 5.266 4.556 -0.000 0.000 0.371 83 H C -1.542 173.785 175.328 -0.002 0.000 1.169 83 H CA -0.935 55.114 56.048 0.003 0.000 1.157 83 H CB 1.768 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 4.011 124.260 120.570 -0.536 0.000 2.667 84 I HA 0.223 4.393 4.170 -0.000 0.000 0.288 84 I C -1.694 174.172 176.117 -0.419 0.000 1.267 84 I CA -0.542 60.485 61.300 -0.455 0.000 1.055 84 I CB 1.533 39.414 38.000 -0.199 0.000 1.294 84 I HN 0.610 nan 8.210 nan 0.000 0.429 85 D N 8.495 128.663 120.400 -0.386 0.000 2.198 85 D HA 0.465 5.105 4.640 -0.000 0.000 0.245 85 D C -0.308 175.943 176.300 -0.082 0.000 1.079 85 D CA -0.084 53.820 54.000 -0.161 0.000 0.854 85 D CB 2.271 43.024 40.800 -0.078 0.000 1.148 85 D HN 0.394 nan 8.370 nan 0.000 0.456 86 L N 1.245 122.447 121.223 -0.037 0.000 2.399 86 L HA 0.489 4.829 4.340 -0.000 0.000 0.265 86 L C 1.438 178.308 176.870 -0.000 0.000 1.089 86 L CA -0.747 54.082 54.840 -0.018 0.000 0.802 86 L CB 0.914 42.973 42.059 -0.000 0.000 1.180 86 L HN 0.371 nan 8.230 nan 0.000 0.454 87 A N 1.876 124.695 122.820 -0.001 0.000 2.385 87 A HA 0.088 4.408 4.320 -0.000 0.000 0.197 87 A C 0.633 178.222 177.584 0.009 0.000 1.531 87 A CA 0.524 52.562 52.037 0.001 0.000 0.620 87 A CB -0.248 18.745 19.000 -0.012 0.000 1.090 87 A HN 0.689 nan 8.150 nan 0.000 0.497 88 K N 1.692 122.096 120.400 0.007 0.000 2.379 88 K HA 0.229 4.549 4.320 -0.000 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 0.529 32.271 31.700 0.071 0.000 0.794 90 V N 3.650 123.648 119.914 0.140 0.000 2.715 90 V HA 0.321 4.441 4.120 -0.000 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 1.757 121.750 119.950 0.072 0.000 2.444 91 F HA 0.292 4.819 4.527 -0.000 0.000 0.331 91 F C 0.595 176.504 175.800 0.182 0.000 1.167 91 F CA -0.283 57.782 58.000 0.109 0.000 1.262 91 F CB 0.206 39.264 39.000 0.097 0.000 1.196 91 F HN 0.541 nan 8.300 nan 0.000 0.583 92 H N 1.845 121.021 119.070 0.175 0.000 2.581 92 H HA 0.366 4.922 4.556 -0.000 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 1.001 30.900 29.762 0.229 0.000 1.396 92 H HN 0.463 nan 8.280 nan 0.000 0.467 93 V N 3.047 123.209 119.914 0.415 0.000 2.277 93 V HA -0.322 3.798 4.120 -0.000 0.000 0.255 93 V C 2.375 178.496 176.094 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 -1.064 107.653 108.800 -0.138 0.000 2.470 94 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.220 94 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.220 94 G C 1.152 175.480 174.900 -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 -0.000 0.000 0.305 95 F C 2.089 177.830 175.800 -0.098 0.000 1.090 95 F CA -0.655 57.170 58.000 -0.291 0.000 1.272 95 F CB 0.196 39.005 39.000 -0.318 0.000 1.060 95 F HN 0.022 nan 8.300 nan 0.000 0.576 96 I N 0.452 121.104 120.570 0.136 0.000 2.127 96 I HA -0.354 3.816 4.170 -0.000 0.000 0.241 96 I C 2.730 178.951 176.117 0.173 0.000 1.075 96 I CA 1.530 62.970 61.300 0.235 0.000 1.334 96 I CB -0.697 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 0.586 123.459 122.820 0.088 0.000 1.948 97 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 97 A C 2.329 179.956 177.584 0.071 0.000 1.177 97 A CA 1.639 53.713 52.037 0.061 0.000 0.636 97 A CB -0.366 18.634 19.000 0.000 0.000 0.815 97 A HN 0.263 nan 8.150 nan 0.000 0.449 98 K N -0.228 120.222 120.400 0.083 0.000 1.991 98 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 98 K C 1.923 178.653 176.600 0.216 0.000 1.045 98 K CA 1.299 57.670 56.287 0.140 0.000 0.937 98 K CB -0.764 31.836 32.500 0.166 0.000 0.720 98 K HN 0.595 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 -0.000 0.000 0.242 99 I C 2.283 178.599 176.117 0.331 0.000 1.057 99 I CA 1.730 63.204 61.300 0.291 0.000 1.314 99 I CB -0.511 37.578 38.000 0.147 0.000 1.022 99 I HN 0.217 nan 8.210 nan 0.000 0.408 100 K N 1.340 121.910 120.400 0.283 0.000 1.980 100 K HA -0.256 4.064 4.320 -0.000 0.000 0.223 100 K C 1.962 178.750 176.600 0.313 0.000 1.052 100 K CA 1.947 58.400 56.287 0.276 0.000 0.974 100 K CB -0.475 32.163 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 0.254 0.000 2.304 101 K HA -0.172 4.148 4.320 -0.000 0.000 0.204 101 K C 2.010 178.826 176.600 0.360 0.000 1.044 101 K CA 1.302 57.691 56.287 0.169 0.000 0.932 101 K CB -0.229 31.981 32.500 -0.484 0.000 0.735 101 K HN 0.041 nan 8.250 nan 0.000 0.468 102 V N 0.161 120.309 119.914 0.390 0.000 2.379 102 V HA -0.222 3.898 4.120 -0.000 0.000 0.243 102 V C 2.367 178.611 176.094 0.251 0.000 1.035 102 V CA 1.328 63.824 62.300 0.328 0.000 1.035 102 V CB -0.261 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 0.397 119.882 119.300 0.309 0.000 2.453 103 C HA -0.130 4.330 4.460 -0.000 0.000 0.277 103 C C 2.603 177.727 174.990 0.224 0.000 1.262 103 C CA 0.881 60.069 59.018 0.283 0.000 1.718 103 C CB -1.057 26.871 27.740 0.314 0.000 2.031 103 C HN 0.617 nan 8.230 nan 0.000 0.480 104 E N -0.887 119.469 120.200 0.259 0.000 2.401 104 E HA -0.205 4.145 4.350 -0.000 0.000 0.199 104 E C 1.914 178.631 176.600 0.195 0.000 1.023 104 E CA 0.890 57.412 56.400 0.203 0.000 0.859 104 E CB -0.168 29.692 29.700 0.267 0.000 0.780 104 E HN 0.696 nan 8.360 nan 0.000 0.523 105 C N 0.358 119.824 119.300 0.278 0.000 2.611 105 C HA 0.153 4.613 4.460 -0.000 0.000 0.282 105 C C 0.756 175.841 174.990 0.158 0.000 1.321 105 C CA -0.207 58.964 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 0.343 120.338 119.914 0.136 0.000 2.680 106 V HA 0.339 4.459 4.120 -0.000 0.000 0.309 106 V C -0.118 176.039 176.094 0.105 0.000 1.052 106 V CA -0.827 61.529 62.300 0.093 0.000 0.908 106 V CB 1.165 33.013 31.823 0.041 0.000 1.001 106 V HN 0.340 nan 8.190 nan 0.000 0.431 107 C N 6.806 126.165 119.300 0.098 0.000 2.593 107 C HA 0.442 4.902 4.460 -0.000 0.000 0.409 107 C C 0.632 175.699 174.990 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 27.531 27.740 0.118 0.000 2.614 107 C HN 0.793 nan 8.230 nan 0.000 0.585 108 M N 6.013 125.687 119.600 0.124 0.000 2.232 108 M HA 0.250 4.730 4.480 -0.000 0.000 0.321 108 M C 1.112 177.455 176.300 0.071 0.000 1.101 108 M CA 0.851 56.178 55.300 0.044 0.000 1.181 108 M CB -0.180 32.383 32.600 -0.063 0.000 1.432 108 M HN 0.941 nan 8.290 nan 0.000 0.457 109 H N -0.086 119.075 119.070 0.152 0.000 4.692 109 H HA -0.187 4.369 4.556 -0.000 0.000 0.063 109 H C 1.282 176.666 175.328 0.093 0.000 0.623 109 H CA 1.923 58.038 56.048 0.113 0.000 0.906 109 H CB -1.428 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 3.226 122.653 119.300 0.212 0.000 2.754 110 C HA 0.670 5.130 4.460 -0.000 0.000 0.276 110 C C 1.547 176.593 174.990 0.093 0.000 1.264 110 C CA 0.915 59.998 59.018 0.108 0.000 1.700 110 C CB -0.839 26.942 27.740 0.068 0.000 1.885 110 C HN 1.213 nan 8.230 nan 0.000 0.607 111 G N 2.022 110.897 108.800 0.125 0.000 2.306 111 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.274 111 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.274 111 G C -0.263 174.663 174.900 0.043 0.000 0.890 111 G CA 1.069 46.227 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 5.009 4.320 -0.000 0.000 0.252 112 K C 0.268 176.890 176.600 0.036 0.000 1.036 112 K CA -1.306 54.995 56.287 0.024 0.000 0.871 112 K CB 1.139 33.656 32.500 0.028 0.000 1.374 112 K HN 0.135 nan 8.250 nan 0.000 0.459 113 L N 3.957 125.198 121.223 0.031 0.000 2.360 113 L HA 0.157 4.497 4.340 -0.000 0.000 0.276 113 L C 1.253 178.155 176.870 0.054 0.000 1.121 113 L CA -0.235 54.633 54.840 0.046 0.000 0.845 113 L CB 0.606 42.690 42.059 0.041 0.000 1.143 113 L HN 0.686 nan 8.230 nan 0.000 0.452 114 L N 4.482 125.741 121.223 0.059 0.000 2.556 114 L HA -0.080 4.260 4.340 -0.000 0.000 0.230 114 L C 0.255 177.156 176.870 0.052 0.000 1.163 114 L CA 0.982 55.854 54.840 0.054 0.000 0.819 114 L CB -0.598 41.488 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 -0.000 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 0.043 0.000 1.421 115 L HN -0.203 nan 8.230 nan 0.000 0.410 116 D N -0.551 119.880 120.400 0.052 0.000 2.610 116 D HA 0.202 4.842 4.640 -0.000 0.000 0.271 116 D C 0.090 176.307 176.300 -0.140 0.000 1.174 116 D CA -0.503 53.467 54.000 -0.049 0.000 0.949 116 D CB 1.822 42.585 40.800 -0.062 0.000 1.430 116 D HN 0.494 nan 8.370 nan 0.000 0.467 117 E N -0.350 119.697 120.200 -0.255 0.000 2.253 117 E HA -0.255 4.095 4.350 -0.000 0.000 0.202 117 E C 1.517 178.021 176.600 -0.160 0.000 1.014 117 E CA 1.400 57.679 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 0.396 119.472 119.070 0.009 0.000 2.289 118 H HA -0.114 4.442 4.556 -0.000 0.000 0.294 118 H C 1.083 176.415 175.328 0.007 0.000 1.095 118 H CA 1.169 57.222 56.048 0.007 0.000 1.256 118 H CB -0.671 29.095 29.762 0.006 0.000 1.359 118 H HN 0.145 nan 8.280 nan 0.000 0.487 119 N N 1.620 120.391 118.700 0.118 0.000 2.497 119 N HA -0.088 4.652 4.740 -0.000 0.000 0.268 119 N C 1.060 176.592 175.510 0.036 0.000 1.171 119 N CA 0.239 53.328 53.050 0.066 0.000 0.948 119 N CB 1.153 39.672 38.487 0.052 0.000 1.069 119 N HN 0.420 nan 8.380 nan 0.000 0.460 120 E N 3.269 123.487 120.200 0.030 0.000 2.358 120 E HA -0.022 4.328 4.350 -0.000 0.000 0.195 120 E C 1.231 177.840 176.600 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 29.964 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 -0.000 0.000 0.218 121 L C 2.205 179.083 176.870 0.013 0.000 1.125 121 L CA 0.145 54.992 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 4.486 4.480 -0.000 0.000 0.265 122 M C 2.139 178.446 176.300 0.011 0.000 1.104 122 M CA 1.378 56.688 55.300 0.016 0.000 1.140 122 M CB -0.120 32.490 32.600 0.017 0.000 1.372 122 M HN -0.059 nan 8.290 nan 0.000 0.456 123 R N -0.212 120.291 120.500 0.005 0.000 2.070 123 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 123 R C 2.136 178.442 176.300 0.009 0.000 1.138 123 R CA 2.078 58.179 56.100 0.001 0.000 0.936 123 R CB -0.705 29.594 30.300 -0.001 0.000 0.839 123 R HN 0.516 nan 8.270 nan 0.000 0.429 124 Q N 0.038 119.845 119.800 0.012 0.000 2.248 124 Q HA -0.138 4.202 4.340 -0.000 0.000 0.208 124 Q C 1.815 177.827 176.000 0.021 0.000 0.984 124 Q CA 1.487 57.299 55.803 0.015 0.000 0.875 124 Q CB -0.083 28.664 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 -0.000 0.000 0.209 125 A C 1.721 179.329 177.584 0.040 0.000 1.168 125 A CA 0.246 52.303 52.037 0.033 0.000 0.804 125 A CB 0.072 19.093 19.000 0.035 0.000 0.834 125 A HN 0.244 nan 8.150 nan 0.000 0.482 126 L N -1.643 119.599 121.223 0.031 0.000 2.463 126 L HA 0.107 4.447 4.340 -0.000 0.000 0.219 126 L C 2.621 179.509 176.870 0.031 0.000 1.088 126 L CA 0.799 55.658 54.840 0.032 0.000 0.849 126 L CB -0.133 41.937 42.059 0.018 0.000 1.012 126 L HN 0.384 nan 8.230 nan 0.000 0.468 127 A N 0.171 123.006 122.820 0.025 0.000 2.123 127 A HA 0.112 4.432 4.320 -0.000 0.000 0.214 127 A C 1.179 178.780 177.584 0.029 0.000 1.152 127 A CA -0.050 52.001 52.037 0.024 0.000 0.728 127 A CB -0.326 18.685 19.000 0.019 0.000 0.814 127 A HN 0.230 nan 8.150 nan 0.000 0.464 128 I N 0.739 121.330 120.570 0.034 0.000 2.752 128 I HA -0.066 4.104 4.170 -0.000 0.000 0.289 128 I C 0.353 176.494 176.117 0.040 0.000 1.197 128 I CA 0.619 61.941 61.300 0.037 0.000 1.432 128 I CB 0.586 38.611 38.000 0.042 0.000 1.359 128 I HN 0.170 nan 8.210 nan 0.000 0.571 129 K N 5.834 126.255 120.400 0.035 0.000 3.016 129 K HA 0.293 4.613 4.320 -0.000 0.000 0.226 129 K C -1.188 175.432 176.600 0.033 0.000 1.245 129 K CA -0.209 56.099 56.287 0.035 0.000 1.174 129 K CB 0.110 32.628 32.500 0.029 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 -0.000 0.000 0.218 130 D C 0.864 177.192 176.300 0.046 0.000 1.345 130 D CA -0.059 53.961 54.000 0.034 0.000 0.943 130 D CB 1.971 42.788 40.800 0.029 0.000 1.514 130 D HN 0.195 nan 8.370 nan 0.000 0.585 131 S N 3.070 118.789 115.700 0.032 0.000 2.404 131 S HA -0.321 4.149 4.470 -0.000 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 -0.040 0.000 1.056 131 S HN 0.468 nan 8.310 nan 0.000 0.426 132 K N 1.400 121.833 120.400 0.054 0.000 2.089 132 K HA -0.144 4.176 4.320 -0.000 0.000 0.210 132 K C 2.499 179.150 176.600 0.085 0.000 1.048 132 K CA 1.920 58.253 56.287 0.076 0.000 0.926 132 K CB -0.250 32.267 32.500 0.028 0.000 0.714 132 K HN 0.513 nan 8.250 nan 0.000 0.448 133 K N 0.234 120.674 120.400 0.067 0.000 2.076 133 K HA -0.037 4.283 4.320 -0.000 0.000 0.204 133 K C 2.246 178.893 176.600 0.078 0.000 1.051 133 K CA 0.729 57.051 56.287 0.059 0.000 0.949 133 K CB 0.004 32.531 32.500 0.045 0.000 0.726 133 K HN 0.091 nan 8.250 nan 0.000 0.443 134 R N 0.565 121.126 120.500 0.102 0.000 2.127 134 R HA -0.129 4.211 4.340 -0.000 0.000 0.219 134 R C 2.184 178.582 176.300 0.163 0.000 1.133 134 R CA 1.740 57.914 56.100 0.123 0.000 0.890 134 R CB -0.826 29.556 30.300 0.138 0.000 0.804 134 R HN 0.119 nan 8.270 nan 0.000 0.443 135 F N 1.517 121.503 119.950 0.060 0.000 2.204 135 F HA -0.324 4.202 4.527 -0.000 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 -0.284 122.497 122.820 -0.064 0.000 1.911 136 A HA 0.260 4.580 4.320 -0.000 0.000 0.212 136 A C 2.400 180.001 177.584 0.029 0.000 1.189 136 A CA 1.024 52.998 52.037 -0.104 0.000 0.639 136 A CB -1.369 17.619 19.000 -0.020 0.000 0.839 136 A HN 0.438 nan 8.150 nan 0.000 0.449 137 A N 0.258 123.106 122.820 0.045 0.000 1.873 137 A HA -0.043 4.277 4.320 -0.000 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 -2.401 118.210 120.570 0.068 0.000 2.091 138 I HA -0.315 3.855 4.170 -0.000 0.000 0.239 138 I C 2.398 178.568 176.117 0.088 0.000 1.061 138 I CA 1.909 63.257 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 1.925 123.119 121.300 -0.176 0.000 2.247 139 W HA -0.337 4.323 4.660 -0.000 0.000 0.330 139 W C 2.804 179.250 176.519 -0.121 0.000 1.278 139 W CA 2.753 59.975 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 1.385 115.948 114.554 0.015 0.000 2.755 140 T HA -0.277 4.073 4.350 -0.000 0.000 0.266 140 T C 1.804 176.418 174.700 -0.142 0.000 1.041 140 T CA 2.006 64.019 62.100 -0.144 0.000 1.147 140 T CB -0.553 68.309 68.868 -0.009 0.000 0.847 140 T HN 0.197 nan 8.240 nan 0.000 0.478 141 L N 0.289 121.471 121.223 -0.069 0.000 2.446 141 L HA 0.101 4.441 4.340 -0.000 0.000 0.219 141 L C 1.280 178.112 176.870 -0.064 0.000 1.116 141 L CA 0.450 55.258 54.840 -0.053 0.000 0.844 141 L CB 0.073 42.125 42.059 -0.012 0.000 0.970 141 L HN 0.457 nan 8.230 nan 0.000 0.457 142 C N -2.653 116.598 119.300 -0.083 0.000 2.887 142 C HA 0.273 4.733 4.460 -0.000 0.000 0.240 142 C C 1.445 176.356 174.990 -0.131 0.000 1.872 142 C CA -0.862 58.114 59.018 -0.070 0.000 1.626 142 C CB -0.993 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 -0.212 120.033 120.400 -0.258 0.000 2.370 143 K HA 0.133 4.453 4.320 -0.000 0.000 0.194 143 K C 1.229 177.676 176.600 -0.255 0.000 1.070 143 K CA 0.710 56.773 56.287 -0.374 0.000 0.998 143 K CB -0.261 31.758 32.500 -0.801 0.000 0.911 143 K HN 0.202 nan 8.250 nan 0.000 0.533 144 T N 1.300 115.734 114.554 -0.199 0.000 2.894 144 T HA 0.039 4.389 4.350 -0.000 0.000 0.258 144 T C 0.336 174.981 174.700 -0.092 0.000 1.043 144 T CA 0.581 62.597 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 1.592 121.948 120.400 -0.074 0.000 2.412 145 K HA 0.243 4.563 4.320 -0.000 0.000 0.281 145 K C -0.085 176.496 176.600 -0.031 0.000 1.027 145 K CA 0.466 56.730 56.287 -0.039 0.000 0.989 145 K CB 0.400 32.887 32.500 -0.022 0.000 0.935 145 K HN 0.268 nan 8.250 nan 0.000 0.475 146 M N 2.859 122.450 119.600 -0.014 0.000 3.002 146 M HA 0.174 4.654 4.480 -0.000 0.000 0.398 146 M C -1.263 175.057 176.300 0.035 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 -0.000 0.000 0.300 147 V C -0.696 175.429 176.094 0.052 0.000 1.115 147 V CA -1.208 61.124 62.300 0.053 0.000 0.912 147 V CB 2.204 34.050 31.823 0.038 0.000 1.024 147 V HN 0.475 nan 8.190 nan 0.000 0.431 148 C N 5.492 124.833 119.300 0.068 0.000 2.573 148 C HA 0.250 4.710 4.460 -0.000 0.000 0.369 148 C C 0.953 175.970 174.990 0.044 0.000 1.205 148 C CA -0.268 58.788 59.018 0.062 0.000 1.535 148 C CB -1.479 26.309 27.740 0.079 0.000 2.159 148 C HN 0.910 nan 8.230 nan 0.000 0.558 149 E N 3.812 124.033 120.200 0.035 0.000 2.480 149 E HA -0.001 4.348 4.350 -0.000 0.000 0.258 149 E C 1.038 177.646 176.600 0.014 0.000 0.984 149 E CA 0.289 56.701 56.400 0.021 0.000 0.930 149 E CB 0.758 30.468 29.700 0.017 0.000 0.936 149 E HN 0.700 nan 8.360 nan 0.000 0.466 150 T N 2.408 116.963 114.554 0.003 0.000 3.054 150 T HA 0.006 4.356 4.350 -0.000 0.000 0.259 150 T C -0.140 174.544 174.700 -0.025 0.000 1.092 150 T CA 0.466 62.563 62.100 -0.004 0.000 1.121 150 T CB 0.219 69.084 68.868 -0.005 0.000 0.912 150 T HN 0.428 nan 8.240 nan 0.000 0.489 151 D N 0.158 120.537 120.400 -0.035 0.000 2.736 151 D HA 0.508 5.148 4.640 -0.000 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 1.216 121.060 119.914 -0.118 0.000 2.888 152 V HA 0.384 4.504 4.120 -0.000 0.000 0.309 152 V C -2.475 173.563 176.094 -0.094 0.000 1.114 152 V CA -1.684 60.562 62.300 -0.091 0.000 0.940 152 V CB 2.554 34.329 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 0.345 177.632 177.300 -0.022 0.000 1.203 153 P CA 0.368 63.450 63.100 -0.031 0.000 0.767 153 P CB 0.573 32.265 31.700 -0.013 0.000 0.785 162 V N 0.286 120.134 119.914 -0.111 0.000 2.667 162 V HA 0.612 4.732 4.120 -0.000 0.000 0.308 162 V C 0.007 176.011 176.094 -0.149 0.000 1.048 162 V CA -0.578 61.637 62.300 -0.141 0.000 0.928 162 V CB 2.095 33.777 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 -0.102 0.000 2.480 163 S HA 0.809 5.279 4.470 -0.000 0.000 0.286 163 S C -0.310 174.257 174.600 -0.055 0.000 1.180 163 S CA -0.840 57.319 58.200 -0.069 0.000 1.075 163 S CB 1.503 64.681 63.200 -0.036 0.000 0.996 163 S HN 0.876 nan 8.310 nan 0.000 0.487 164 R N 1.844 122.324 120.500 -0.033 0.000 3.416 164 R HA 0.782 5.122 4.340 -0.000 0.000 0.236 164 R C 0.434 176.747 176.300 0.022 0.000 1.576 164 R CA -0.962 55.150 56.100 0.021 0.000 1.011 164 R CB -0.452 29.881 30.300 0.056 0.000 1.670 164 R HN 0.665 nan 8.270 nan 0.000 0.519 165 G N -0.142 108.681 108.800 0.037 0.000 2.225 165 G HA2 0.346 4.306 3.960 -0.000 0.000 0.245 165 G HA3 0.346 4.306 3.960 -0.000 0.000 0.245 165 G C -0.096 174.817 174.900 0.021 0.000 1.249 165 G CA 0.123 45.240 45.100 0.028 0.000 0.919 165 G HN 0.641 nan 8.290 nan 0.000 0.486 166 G N 0.047 108.854 108.800 0.013 0.000 2.335 166 G HA2 0.553 4.513 3.960 -0.000 0.000 0.316 166 G HA3 0.553 4.513 3.960 -0.000 0.000 0.316 166 G C 0.144 175.050 174.900 0.010 0.000 1.129 166 G CA 0.116 45.221 45.100 0.008 0.000 0.899 166 G HN 1.909 nan 8.290 nan 0.000 0.448 167 C N 0.841 120.150 119.300 0.015 0.000 2.063 167 C HA 0.135 4.595 4.460 -0.000 0.000 0.400 167 C C 1.122 176.133 174.990 0.035 0.000 0.625 167 C CA -0.848 58.179 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 1.239 nan 8.230 nan 0.000 0.753 168 G N 2.051 110.867 108.800 0.027 0.000 2.842 168 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.203 168 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.203 168 G C 0.512 175.448 174.900 0.061 0.000 1.172 168 G CA 0.310 45.434 45.100 0.040 0.000 0.843 168 G HN 0.901 nan 8.290 nan 0.000 0.516 169 N N 1.143 119.887 118.700 0.073 0.000 2.293 169 N HA -0.031 4.709 4.740 -0.000 0.000 0.253 169 N C 0.383 175.997 175.510 0.173 0.000 1.248 169 N CA 0.760 53.880 53.050 0.115 0.000 0.845 169 N CB 0.499 39.078 38.487 0.153 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 -0.000 0.000 0.302 170 T C 0.718 175.620 174.700 0.336 0.000 1.031 170 T CA -0.286 61.957 62.100 0.239 0.000 1.127 170 T CB 0.705 69.726 68.868 0.256 0.000 0.952 170 T HN 0.289 nan 8.240 nan 0.000 0.540 171 Q N 3.237 123.143 119.800 0.176 0.000 2.260 171 Q HA 0.341 4.681 4.340 -0.000 0.000 0.242 171 Q C -2.181 173.712 176.000 -0.178 0.000 0.932 171 Q CA -1.968 53.892 55.803 0.094 0.000 0.891 171 Q CB 0.643 29.406 28.738 0.042 0.000 1.222 171 Q HN 0.417 nan 8.270 nan 0.000 0.453 172 P HA 0.078 nan 4.420 nan 0.000 0.282 172 P C -0.912 176.124 177.300 -0.441 0.000 1.249 172 P CA -0.415 62.160 63.100 -0.874 0.000 0.806 172 P CB 0.972 32.021 31.700 -1.085 0.000 0.984 173 T N 4.124 118.428 114.554 -0.418 0.000 3.162 173 T HA 0.328 4.678 4.350 -0.000 0.000 0.316 173 T C 0.713 175.298 174.700 -0.193 0.000 1.182 173 T CA -0.199 61.766 62.100 -0.225 0.000 1.015 173 T CB -0.941 67.824 68.868 -0.171 0.000 1.089 173 T HN 0.236 nan 8.240 nan 0.000 0.646 174 I N 4.108 124.597 120.570 -0.135 0.000 2.588 174 I HA 0.306 4.476 4.170 -0.000 0.000 0.283 174 I C 0.901 177.009 176.117 -0.015 0.000 1.119 174 I CA -0.297 60.962 61.300 -0.069 0.000 1.419 174 I CB 0.410 38.410 38.000 0.000 0.000 1.394 174 I HN 0.453 nan 8.210 nan 0.000 0.562 175 R N 5.211 125.706 120.500 -0.009 0.000 2.628 175 R HA 0.501 4.841 4.340 -0.000 0.000 0.288 175 R C -1.112 175.204 176.300 0.026 0.000 0.980 175 R CA -1.103 55.004 56.100 0.012 0.000 0.891 175 R CB 1.791 32.088 30.300 -0.005 0.000 1.188 175 R HN 0.488 nan 8.270 nan 0.000 0.450 176 K N 2.099 122.525 120.400 0.044 0.000 2.298 176 K HA 0.113 4.433 4.320 -0.000 0.000 0.280 176 K C -1.086 175.531 176.600 0.028 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 3.209 123.619 120.400 0.017 0.000 2.365 177 D HA 0.211 4.851 4.640 -0.000 0.000 0.235 177 D C 0.391 176.692 176.300 0.000 0.000 1.368 177 D CA 0.538 54.542 54.000 0.006 0.000 1.001 177 D CB 1.442 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 2.456 111.264 108.800 0.012 0.000 3.274 178 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.313 178 G HA3 -0.305 3.654 3.960 -0.000 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 0.439 121.673 121.223 0.018 0.000 3.510 179 L HA 0.459 4.799 4.340 -0.000 0.000 0.324 179 L C 0.227 177.042 176.870 -0.092 0.000 1.307 179 L CA -0.206 54.651 54.840 0.028 0.000 1.011 179 L CB 0.809 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 0.751 5.070 4.320 -0.000 0.000 0.252 180 K C -1.166 175.375 176.600 -0.098 0.000 0.993 180 K CA -0.773 55.403 56.287 -0.186 0.000 0.847 180 K CB 3.000 35.413 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 -0.000 0.000 0.284 181 L C -0.865 176.000 176.870 -0.008 0.000 1.013 181 L CA -1.144 53.688 54.840 -0.012 0.000 0.819 181 L CB 1.670 43.759 42.059 0.050 0.000 1.227 181 L HN 0.230 nan 8.230 nan 0.000 0.417 182 V N 2.035 121.944 119.914 -0.008 0.000 2.435 182 V HA 0.759 4.879 4.120 -0.000 0.000 0.290 182 V C 0.476 176.535 176.094 -0.058 0.000 1.030 182 V CA -0.406 61.888 62.300 -0.010 0.000 0.881 182 V CB 1.605 33.424 31.823 -0.007 0.000 0.983 182 V HN 0.869 nan 8.190 nan 0.000 0.445 183 G N 2.468 111.200 108.800 -0.113 0.000 2.524 183 G HA2 0.662 4.622 3.960 -0.000 0.000 0.310 183 G HA3 0.662 4.622 3.960 -0.000 0.000 0.310 183 G C -0.551 174.064 174.900 -0.476 0.000 1.279 183 G CA -0.439 44.450 45.100 -0.352 0.000 0.974 183 G HN 0.842 nan 8.290 nan 0.000 0.484 184 S N 0.612 116.032 115.700 -0.467 0.000 2.593 184 S HA 0.781 5.251 4.470 -0.000 0.000 0.297 184 S C -0.819 173.532 174.600 -0.414 0.000 1.112 184 S CA -0.823 57.222 58.200 -0.258 0.000 1.043 184 S CB 1.792 64.932 63.200 -0.100 0.000 1.054 184 S HN 0.599 nan 8.310 nan 0.000 0.516 185 W N 0.692 122.004 121.300 0.019 0.000 2.799 185 W HA 0.687 5.347 4.660 -0.000 0.000 0.349 185 W C 0.139 176.668 176.519 0.016 0.000 1.100 185 W CA -0.748 56.611 57.345 0.023 0.000 1.174 185 W CB 2.437 31.915 29.460 0.031 0.000 1.427 185 W HN 0.877 nan 8.180 nan 0.000 0.547 200 R N 1.548 122.217 120.500 0.281 0.000 2.902 200 R HA 0.904 5.244 4.340 -0.000 0.000 0.258 200 R C -1.173 175.227 176.300 0.166 0.000 1.071 200 R CA -0.833 55.378 56.100 0.186 0.000 1.024 200 R CB 2.154 32.554 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 -0.000 0.000 0.278 201 V C 0.202 176.339 176.094 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 0.003 0.000 0.983 201 V HN 0.529 nan 8.190 nan 0.000 0.459 202 L N 5.538 126.800 121.223 0.066 0.000 2.312 202 L HA 0.299 4.639 4.340 -0.000 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 0.465 42.582 42.059 0.096 0.000 1.219 202 L HN 0.877 nan 8.230 nan 0.000 0.439 203 S N 1.046 116.752 115.700 0.011 0.000 2.633 203 S HA 0.187 4.657 4.470 -0.000 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 64.172 63.200 0.013 0.000 1.017 203 S HN 0.551 nan 8.310 nan 0.000 0.577 204 T N 0.926 115.498 114.554 0.030 0.000 2.809 204 T HA -0.013 4.337 4.350 -0.000 0.000 0.260 204 T C 1.674 176.420 174.700 0.076 0.000 1.039 204 T CA 1.469 63.653 62.100 0.140 0.000 1.141 204 T CB -0.616 68.347 68.868 0.158 0.000 0.869 204 T HN 0.722 nan 8.240 nan 0.000 0.437 205 E N 1.247 121.475 120.200 0.047 0.000 2.130 205 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 205 E C 2.249 178.861 176.600 0.019 0.000 0.998 205 E CA 1.194 57.611 56.400 0.029 0.000 0.806 205 E CB -0.127 29.592 29.700 0.032 0.000 0.738 205 E HN 0.598 nan 8.360 nan 0.000 0.459 206 E N 0.500 120.718 120.200 0.030 0.000 2.001 206 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 206 E C 2.183 178.783 176.600 -0.000 0.000 1.002 206 E CA 1.060 57.481 56.400 0.035 0.000 0.819 206 E CB -0.111 29.619 29.700 0.050 0.000 0.769 206 E HN 0.186 nan 8.360 nan 0.000 0.454 207 I N 1.405 121.951 120.570 -0.040 0.000 2.181 207 I HA -0.329 3.841 4.170 -0.000 0.000 0.247 207 I C 2.530 178.439 176.117 -0.347 0.000 1.081 207 I CA 1.403 62.557 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 0.412 121.510 121.223 -0.209 0.000 1.951 208 L HA -0.308 4.032 4.340 -0.000 0.000 0.222 208 L C 2.572 179.368 176.870 -0.123 0.000 1.078 208 L CA 1.812 56.560 54.840 -0.153 0.000 0.778 208 L CB -0.665 41.352 42.059 -0.070 0.000 0.893 208 L HN 0.336 nan 8.230 nan 0.000 0.436 209 N N 0.265 118.897 118.700 -0.115 0.000 2.023 209 N HA -0.262 4.478 4.740 -0.000 0.000 0.200 209 N C 1.782 177.157 175.510 -0.224 0.000 1.048 209 N CA 2.123 55.023 53.050 -0.250 0.000 0.872 209 N CB -0.624 37.877 38.487 0.024 0.000 1.070 209 N HN 0.299 nan 8.380 nan 0.000 0.441 210 I N 0.464 121.083 120.570 0.081 0.000 2.121 210 I HA -0.337 3.833 4.170 -0.000 0.000 0.243 210 I C 2.048 178.347 176.117 0.304 0.000 1.047 210 I CA 1.523 62.971 61.300 0.247 0.000 1.308 210 I CB -0.499 37.694 38.000 0.321 0.000 1.015 210 I HN 0.028 nan 8.210 nan 0.000 0.410 211 F N 0.973 120.875 119.950 -0.079 0.000 2.206 211 F HA -0.093 4.434 4.527 -0.000 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 -0.811 38.099 39.000 -0.148 0.000 1.028 211 F HN -0.025 nan 8.300 nan 0.000 0.492 212 K N -0.796 119.599 120.400 -0.009 0.000 2.148 212 K HA -0.126 4.194 4.320 -0.000 0.000 0.204 212 K C 1.617 178.170 176.600 -0.079 0.000 1.050 212 K CA 1.066 57.286 56.287 -0.111 0.000 0.942 212 K CB -0.248 32.121 32.500 -0.218 0.000 0.724 212 K HN 0.305 nan 8.250 nan 0.000 0.446 213 H N 0.332 119.429 119.070 0.046 0.000 2.548 213 H HA 0.123 4.679 4.556 -0.000 0.000 0.268 213 H C 0.774 176.064 175.328 -0.063 0.000 0.975 213 H CA 0.207 56.256 56.048 0.002 0.000 1.195 213 H CB -0.192 29.584 29.762 0.024 0.000 1.397 213 H HN 0.087 nan 8.280 nan 0.000 0.572 214 I N 2.399 122.975 120.570 0.010 0.000 2.752 214 I HA -0.090 4.080 4.170 -0.000 0.000 0.287 214 I C 0.859 176.684 176.117 -0.486 0.000 1.188 214 I CA 0.121 61.313 61.300 -0.181 0.000 1.427 214 I CB 0.517 38.434 38.000 -0.140 0.000 1.365 214 I HN 0.120 nan 8.210 nan 0.000 0.585 215 S N 4.564 119.964 115.700 -0.500 0.000 2.585 215 S HA 0.272 4.742 4.470 -0.000 0.000 0.277 215 S C 1.070 175.169 174.600 -0.835 0.000 1.241 215 S CA -1.026 56.853 58.200 -0.535 0.000 1.041 215 S CB 1.856 64.893 63.200 -0.271 0.000 0.987 215 S HN 0.407 nan 8.310 nan 0.000 0.512 216 V N 3.161 122.669 119.914 -0.675 0.000 2.236 216 V HA -0.320 3.800 4.120 -0.000 0.000 0.255 216 V C 2.682 178.638 176.094 -0.229 0.000 1.068 216 V CA 2.513 64.545 62.300 -0.446 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 -0.408 119.897 120.400 -0.158 0.000 2.160 217 K HA -0.232 4.088 4.320 -0.000 0.000 0.206 217 K C 1.838 178.411 176.600 -0.044 0.000 1.047 217 K CA 1.742 57.990 56.287 -0.065 0.000 0.930 217 K CB -0.357 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 -0.075 120.247 120.400 -0.130 0.000 2.224 218 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 218 D C 1.767 178.118 176.300 0.085 0.000 0.965 218 D CA 0.845 54.810 54.000 -0.058 0.000 0.852 218 D CB -0.092 40.629 40.800 -0.133 0.000 0.947 218 D HN 0.205 nan 8.370 nan 0.000 0.494 219 F N 1.438 121.353 119.950 -0.058 0.000 2.014 219 F HA -0.192 4.335 4.527 -0.000 0.000 0.295 219 F C 2.730 178.588 175.800 0.096 0.000 1.145 219 F CA 0.807 58.788 58.000 -0.032 0.000 1.178 219 F CB -0.641 38.328 39.000 -0.050 0.000 0.972 219 F HN -0.107 nan 8.300 nan 0.000 0.476 220 T N -0.094 114.634 114.554 0.290 0.000 2.755 220 T HA -0.289 4.061 4.350 -0.000 0.000 0.266 220 T C 1.977 176.775 174.700 0.163 0.000 1.041 220 T CA 1.834 64.046 62.100 0.188 0.000 1.147 220 T CB -0.625 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 0.407 116.202 115.700 0.159 0.000 2.428 221 S HA 0.106 4.576 4.470 -0.000 0.000 0.230 221 S C 0.759 175.486 174.600 0.212 0.000 1.014 221 S CA 0.259 58.549 58.200 0.151 0.000 0.957 221 S CB -0.431 62.844 63.200 0.124 0.000 0.784 221 S HN 0.447 nan 8.310 nan 0.000 0.499 222 L N 0.600 121.985 121.223 0.270 0.000 2.332 222 L HA 0.616 4.956 4.340 -0.000 0.000 0.269 222 L C 1.047 178.043 176.870 0.210 0.000 1.016 222 L CA -0.809 54.216 54.840 0.308 0.000 0.809 222 L CB 0.702 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 1.187 109.918 108.800 -0.115 0.000 2.894 223 G HA2 0.229 4.188 3.960 -0.000 0.000 0.265 223 G HA3 0.229 4.188 3.960 -0.000 0.000 0.265 223 G C -0.614 173.897 174.900 -0.649 0.000 0.735 223 G CA 0.165 45.070 45.100 -0.326 0.000 2.064 223 G HN 0.208 nan 8.290 nan 0.000 0.590 224 F N -1.000 118.908 119.950 -0.070 0.000 2.563 224 F HA 0.366 4.893 4.527 -0.000 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 2.309 41.107 39.000 -0.337 0.000 1.209 224 F HN 0.109 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 4.754 4.740 -0.000 0.000 0.207 225 N C 1.193 176.782 175.510 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 0.297 0.000 1.005 225 N HN 0.784 nan 8.380 nan 0.000 0.507 226 E N -2.304 117.929 120.200 0.055 0.000 5.142 226 E HA -0.384 3.966 4.350 -0.000 0.000 0.169 226 E C 0.393 176.980 176.600 -0.023 0.000 1.322 226 E CA 2.266 58.666 56.400 0.001 0.000 2.174 226 E CB -1.749 28.066 29.700 0.192 0.000 1.883 226 E HN 0.096 nan 8.360 nan 0.000 0.358 227 V N -0.098 119.796 119.914 -0.032 0.000 2.273 227 V HA -0.040 4.080 4.120 -0.000 0.000 0.242 227 V C 2.212 178.192 176.094 -0.189 0.000 1.035 227 V CA 2.315 64.479 62.300 -0.226 0.000 1.013 227 V CB -0.694 30.770 31.823 -0.599 0.000 0.652 227 V HN 0.369 nan 8.190 nan 0.000 0.452 228 F N 0.854 120.948 119.950 0.241 0.000 2.749 228 F HA 0.294 4.821 4.527 -0.000 0.000 0.300 228 F C 0.805 176.822 175.800 0.363 0.000 1.103 228 F CA 0.471 58.609 58.000 0.231 0.000 1.342 228 F CB 0.257 39.318 39.000 0.101 0.000 1.098 228 F HN 0.229 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 -0.000 0.000 0.276 229 S C -0.951 173.709 174.600 0.100 0.000 1.159 229 S CA -0.923 57.566 58.200 0.480 0.000 1.000 229 S CB 1.441 64.809 63.200 0.279 0.000 1.117 229 S HN 0.160 nan 8.310 nan 0.000 0.464 230 R N 2.677 122.996 120.500 -0.303 0.000 2.534 230 R HA 0.476 4.816 4.340 -0.000 0.000 0.301 230 R C -2.303 173.542 176.300 -0.759 0.000 0.961 230 R CA -2.428 53.018 56.100 -1.090 0.000 0.871 230 R CB 1.662 30.909 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 1.514 64.190 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 -1.612 118.497 120.200 -0.152 0.000 2.273 232 E HA -0.229 4.121 4.350 -0.000 0.000 0.198 232 E C 1.362 177.976 176.600 0.024 0.000 1.002 232 E CA 1.089 57.466 56.400 -0.039 0.000 0.828 232 E CB -1.030 28.564 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 4.884 4.660 -0.000 0.000 0.278 233 W C 2.177 178.590 176.519 -0.177 0.000 1.236 233 W CA 0.065 57.359 57.345 -0.084 0.000 1.306 233 W CB -0.597 28.830 29.460 -0.055 0.000 1.101 233 W HN 0.076 nan 8.180 nan 0.000 0.577 234 M N -0.006 119.550 119.600 -0.074 0.000 2.521 234 M HA -0.149 4.331 4.480 -0.000 0.000 0.260 234 M C 0.440 176.589 176.300 -0.251 0.000 1.068 234 M CA 1.273 56.304 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 0.872 121.358 120.570 -0.140 0.000 2.385 235 I HA 0.203 4.372 4.170 -0.000 0.000 0.294 235 I C -0.287 175.847 176.117 0.028 0.000 0.988 235 I CA -0.604 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 6.482 127.748 121.223 0.071 0.000 2.295 236 L HA 0.229 4.569 4.340 -0.000 0.000 0.288 236 L C 0.842 177.762 176.870 0.084 0.000 1.079 236 L CA 0.026 54.923 54.840 0.095 0.000 0.830 236 L CB 0.721 42.840 42.059 0.101 0.000 1.200 236 L HN 0.747 nan 8.230 nan 0.000 0.438 237 T N 0.651 115.255 114.554 0.083 0.000 2.990 237 T HA -0.019 4.331 4.350 -0.000 0.000 0.237 237 T C 0.370 175.107 174.700 0.063 0.000 1.009 237 T CA 0.311 62.456 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 2.829 122.168 119.300 0.065 0.000 2.303 238 C HA 0.794 5.254 4.460 -0.000 0.000 0.326 238 C C -0.523 174.498 174.990 0.051 0.000 1.285 238 C CA -1.357 57.702 59.018 0.069 0.000 1.675 238 C CB -0.628 27.172 27.740 0.101 0.000 2.289 238 C HN 0.490 nan 8.230 nan 0.000 0.512 239 L N 9.432 130.674 121.223 0.031 0.000 2.289 239 L HA 0.677 5.017 4.340 -0.000 0.000 0.285 239 L C -2.183 174.725 176.870 0.063 0.000 1.049 239 L CA -1.506 53.356 54.840 0.037 0.000 0.804 239 L CB 1.488 43.531 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 -1.212 176.224 177.300 0.226 0.000 1.287 240 P CA -0.311 62.907 63.100 0.197 0.000 0.800 240 P CB 1.576 33.419 31.700 0.238 0.000 0.945 241 V N 6.111 126.119 119.914 0.158 0.000 2.348 241 V HA 0.226 4.346 4.120 -0.000 0.000 0.270 241 V C -1.746 174.218 176.094 -0.216 0.000 1.037 241 V CA -2.083 60.224 62.300 0.011 0.000 0.872 241 V CB 0.939 32.758 31.823 -0.008 0.000 1.002 241 V HN 0.552 nan 8.190 nan 0.000 0.464 242 P HA 0.165 nan 4.420 nan 0.000 0.267 242 P C -2.428 174.638 177.300 -0.391 0.000 1.205 242 P CA -1.005 61.735 63.100 -0.600 0.000 0.765 242 P CB 0.462 32.019 31.700 -0.239 0.000 0.828 243 P HA 0.046 nan 4.420 nan 0.000 0.274 243 P C -1.724 175.494 177.300 -0.138 0.000 1.264 243 P CA -1.075 61.898 63.100 -0.211 0.000 0.795 243 P CB -0.671 30.916 31.700 -0.188 0.000 1.064 244 P HA -0.093 nan 4.420 nan 0.000 0.215 244 P C -1.249 176.010 177.300 -0.069 0.000 1.157 244 P CA 2.603 65.665 63.100 -0.062 0.000 0.868 244 P CB -1.963 29.714 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 1.374 64.434 63.100 -0.067 0.000 0.925 245 P CB -0.713 30.943 31.700 -0.074 0.000 0.793 246 V N -0.595 119.272 119.914 -0.079 0.000 2.370 246 V HA -0.234 3.886 4.120 -0.000 0.000 0.252 246 V C 1.153 177.209 176.094 -0.063 0.000 1.068 246 V CA 2.108 64.365 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 0.764 121.224 120.500 -0.067 0.000 2.415 247 R HA 0.428 4.768 4.340 -0.000 0.000 0.292 247 R C -2.890 173.372 176.300 -0.063 0.000 1.295 247 R CA -1.684 54.378 56.100 -0.063 0.000 1.137 247 R CB 0.595 30.863 30.300 -0.054 0.000 1.135 247 R HN 0.198 nan 8.270 nan 0.000 0.560 248 P HA 0.084 nan 4.420 nan 0.000 0.276 248 P C -0.522 176.741 177.300 -0.062 0.000 1.244 248 P CA -0.287 62.781 63.100 -0.055 0.000 0.801 248 P CB 1.513 33.183 31.700 -0.049 0.000 1.006 260 D N 0.562 120.799 120.400 -0.272 0.000 2.406 260 D HA -0.068 4.572 4.640 -0.000 0.000 0.234 260 D C 0.263 176.337 176.300 -0.377 0.000 1.196 260 D CA 0.554 54.396 54.000 -0.263 0.000 0.881 260 D CB 0.706 41.416 40.800 -0.150 0.000 1.205 260 D HN 0.376 nan 8.370 nan 0.000 0.453 261 D N 1.956 122.195 120.400 -0.268 0.000 2.219 261 D HA -0.105 4.535 4.640 -0.000 0.000 0.205 261 D C 2.025 178.286 176.300 -0.065 0.000 0.970 261 D CA 0.461 54.343 54.000 -0.196 0.000 0.851 261 D CB 0.275 41.020 40.800 -0.092 0.000 0.943 261 D HN 0.417 nan 8.370 nan 0.000 0.488 262 L N 0.811 122.007 121.223 -0.045 0.000 2.017 262 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 262 L C 2.553 179.476 176.870 0.088 0.000 1.073 262 L CA 1.127 56.001 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 4.116 4.350 -0.000 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 1.425 121.364 119.950 -0.017 0.000 2.087 264 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 264 F C 2.471 178.228 175.800 -0.073 0.000 1.100 264 F CA 0.965 58.943 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 0.165 nan 8.300 nan 0.000 0.479 265 K N 0.112 120.596 120.400 0.141 0.000 2.432 265 K HA -0.026 4.294 4.320 -0.000 0.000 0.196 265 K C 1.659 178.227 176.600 -0.054 0.000 1.038 265 K CA 0.334 56.610 56.287 -0.018 0.000 0.986 265 K CB 0.062 32.581 32.500 0.032 0.000 0.782 265 K HN 0.343 nan 8.250 nan 0.000 0.485 266 L N -0.165 121.053 121.223 -0.008 0.000 2.375 266 L HA 0.032 4.372 4.340 -0.000 0.000 0.215 266 L C 2.223 179.063 176.870 -0.050 0.000 1.108 266 L CA 0.308 55.094 54.840 -0.090 0.000 0.830 266 L CB -0.119 41.907 42.059 -0.054 0.000 0.959 266 L HN 0.171 nan 8.230 nan 0.000 0.457 267 A N -0.552 122.269 122.820 0.002 0.000 1.930 267 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 267 A C 1.834 179.409 177.584 -0.016 0.000 1.176 267 A CA 1.198 53.237 52.037 0.004 0.000 0.632 267 A CB -0.268 18.747 19.000 0.026 0.000 0.819 267 A HN 0.280 nan 8.150 nan 0.000 0.445 268 D N -0.200 120.167 120.400 -0.054 0.000 2.264 268 D HA -0.055 4.585 4.640 -0.000 0.000 0.208 268 D C 1.714 178.131 176.300 0.195 0.000 0.966 268 D CA 0.787 54.764 54.000 -0.038 0.000 0.864 268 D CB -0.021 40.474 40.800 -0.508 0.000 0.933 268 D HN 0.482 nan 8.370 nan 0.000 0.499 269 I N 0.101 120.699 120.570 0.048 0.000 2.584 269 I HA -0.177 3.993 4.170 -0.000 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 4.199 4.340 -0.000 0.000 0.205 270 L C 2.341 179.192 176.870 -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 -0.000 0.000 0.207 271 K C 2.018 178.620 176.600 0.003 0.000 1.049 271 K CA 1.342 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 1.479 124.321 122.820 0.037 0.000 1.968 272 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 272 A C 1.874 179.451 177.584 -0.012 0.000 1.169 272 A CA 1.732 53.772 52.037 0.006 0.000 0.638 272 A CB -0.545 18.452 19.000 -0.005 0.000 0.812 272 A HN 0.352 nan 8.150 nan 0.000 0.446 273 N N -0.182 118.510 118.700 -0.013 0.000 2.216 273 N HA -0.027 4.713 4.740 -0.000 0.000 0.183 273 N C 1.476 176.966 175.510 -0.034 0.000 1.017 273 N CA 1.390 54.424 53.050 -0.027 0.000 0.861 273 N CB -0.259 38.204 38.487 -0.040 0.000 0.986 273 N HN 0.493 nan 8.380 nan 0.000 0.428 274 I N 0.031 120.574 120.570 -0.046 0.000 2.141 274 I HA -0.225 3.945 4.170 -0.000 0.000 0.236 274 I C 2.215 178.309 176.117 -0.039 0.000 1.071 274 I CA 1.247 62.512 61.300 -0.058 0.000 1.345 274 I CB -0.579 37.363 38.000 -0.097 0.000 1.066 274 I HN 0.272 nan 8.210 nan 0.000 0.406 275 S N 1.054 116.733 115.700 -0.036 0.000 2.462 275 S HA -0.198 4.272 4.470 -0.000 0.000 0.243 275 S C 1.858 176.444 174.600 -0.023 0.000 1.003 275 S CA 1.055 59.239 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 1.428 122.637 121.223 -0.023 0.000 2.127 276 L HA 0.254 4.594 4.340 -0.000 0.000 0.203 276 L C 2.369 179.224 176.870 -0.024 0.000 1.080 276 L CA 1.579 56.404 54.840 -0.026 0.000 0.768 276 L CB -0.717 41.327 42.059 -0.025 0.000 0.924 276 L HN 0.241 nan 8.230 nan 0.000 0.444 277 E N -1.131 119.068 120.200 -0.001 0.000 2.150 277 E HA -0.171 4.178 4.350 -0.000 0.000 0.193 277 E C 1.851 178.512 176.600 0.102 0.000 0.985 277 E CA 1.468 57.898 56.400 0.051 0.000 0.814 277 E CB -0.082 29.670 29.700 0.086 0.000 0.752 277 E HN 0.502 nan 8.360 nan 0.000 0.466 278 T N 1.724 116.307 114.554 0.048 0.000 2.569 278 T HA -0.157 4.192 4.350 -0.000 0.000 0.263 278 T C 1.944 176.658 174.700 0.024 0.000 1.074 278 T CA 1.036 63.162 62.100 0.043 0.000 1.176 278 T CB -0.347 68.522 68.868 0.002 0.000 0.863 278 T HN 0.106 nan 8.240 nan 0.000 0.410 279 L N 0.842 122.056 121.223 -0.015 0.000 2.081 279 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 279 L C 2.544 179.370 176.870 -0.073 0.000 1.080 279 L CA 1.579 56.396 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 -1.413 118.718 120.200 -0.116 0.000 2.427 280 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 280 E C 1.779 178.195 176.600 -0.307 0.000 1.028 280 E CA 0.404 56.672 56.400 -0.220 0.000 0.864 280 E CB 0.132 29.663 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 -0.000 0.000 0.297 281 H C 1.568 176.874 175.328 -0.036 0.000 1.023 281 H CA 0.295 56.323 56.048 -0.034 0.000 1.321 281 H CB 0.470 30.215 29.762 -0.028 0.000 1.455 281 H HN 0.073 nan 8.280 nan 0.000 0.539 282 N N 0.565 119.313 118.700 0.080 0.000 2.227 282 N HA -0.002 4.738 4.740 -0.000 0.000 0.203 282 N C 1.131 176.634 175.510 -0.011 0.000 1.037 282 N CA 0.695 53.761 53.050 0.028 0.000 1.005 282 N CB -0.453 38.045 38.487 0.018 0.000 1.214 282 N HN 0.128 nan 8.380 nan 0.000 0.527 283 G N -0.200 108.585 108.800 -0.026 0.000 2.415 283 G HA2 0.575 4.535 3.960 -0.000 0.000 0.317 283 G HA3 0.575 4.535 3.960 -0.000 0.000 0.317 283 G C -0.953 173.901 174.900 -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 -0.000 0.000 0.322 284 A C -1.093 176.348 177.584 -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 19.611 19.000 -0.221 0.000 1.149 284 A HN 0.528 nan 8.150 nan 0.000 0.540 285 P HA 0.031 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 0.108 63.156 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 0.501 119.505 119.070 -0.110 0.000 1.452 286 H HA -0.210 4.346 4.556 -0.000 0.000 0.090 286 H C 0.648 175.845 175.328 -0.219 0.000 0.620 286 H CA 1.658 57.571 56.048 -0.225 0.000 1.901 286 H CB -1.917 27.687 29.762 -0.263 0.000 2.257 286 H HN 0.399 nan 8.280 nan 0.000 0.961 287 H N 1.454 120.619 119.070 0.157 0.000 2.842 287 H HA 0.478 5.034 4.556 -0.000 0.000 0.312 287 H C 0.941 176.290 175.328 0.035 0.000 1.137 287 H CA 0.862 56.947 56.048 0.062 0.000 1.176 287 H CB -0.262 29.520 29.762 0.033 0.000 1.361 287 H HN 0.491 nan 8.280 nan 0.000 0.557 288 A N -0.088 122.794 122.820 0.102 0.000 2.551 288 A HA 0.235 4.555 4.320 -0.000 0.000 0.252 288 A C 1.655 179.254 177.584 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 19.287 19.000 0.041 0.000 1.153 288 A HN 0.268 nan 8.150 nan 0.000 0.559 289 I N 0.280 120.862 120.570 0.021 0.000 3.081 289 I HA -0.084 4.086 4.170 -0.000 0.000 0.274 289 I C 2.076 178.196 176.117 0.005 0.000 1.178 289 I CA 0.962 62.260 61.300 -0.003 0.000 1.460 289 I CB -0.073 37.911 38.000 -0.026 0.000 1.137 289 I HN 0.509 nan 8.210 nan 0.000 0.443 290 E N 1.703 121.921 120.200 0.030 0.000 2.501 290 E HA -0.211 4.139 4.350 -0.000 0.000 0.203 290 E C 0.903 177.503 176.600 0.000 0.000 1.072 290 E CA 0.850 57.264 56.400 0.023 0.000 0.885 290 E CB -0.376 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 4.509 4.350 -0.000 0.000 0.191 291 E C 1.041 177.624 176.600 -0.029 0.000 1.053 291 E CA 0.344 56.733 56.400 -0.019 0.000 0.869 291 E CB 0.652 30.343 29.700 -0.014 0.000 0.977 291 E HN 0.420 nan 8.360 nan 0.000 0.483 292 A N 0.173 122.977 122.820 -0.026 0.000 2.498 292 A HA 0.139 4.459 4.320 -0.000 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 0.601 120.788 120.200 -0.022 0.000 2.086 293 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 293 E C 2.073 178.667 176.600 -0.010 0.000 0.975 293 E CA 1.200 57.592 56.400 -0.013 0.000 0.813 293 E CB -0.027 29.667 29.700 -0.009 0.000 0.768 293 E HN 0.657 nan 8.360 nan 0.000 0.457 294 S N 0.795 116.483 115.700 -0.019 0.000 2.474 294 S HA -0.110 4.360 4.470 -0.000 0.000 0.235 294 S C 1.908 176.515 174.600 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 0.625 121.832 121.223 -0.028 0.000 2.068 295 L HA 0.289 4.629 4.340 -0.000 0.000 0.204 295 L C 2.202 179.012 176.870 -0.100 0.000 1.076 295 L CA 1.169 55.961 54.840 -0.080 0.000 0.753 295 L CB -0.790 41.183 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 -0.000 0.000 0.210 296 L C 2.571 179.472 176.870 0.051 0.000 1.073 296 L CA 2.279 57.113 54.840 -0.009 0.000 0.748 296 L CB -0.912 41.148 42.059 0.002 0.000 0.891 296 L HN 0.539 nan 8.230 nan 0.000 0.431 297 Q N -1.269 118.572 119.800 0.068 0.000 2.197 297 Q HA -0.291 4.049 4.340 -0.000 0.000 0.207 297 Q C 1.999 178.110 176.000 0.184 0.000 0.984 297 Q CA 2.323 58.195 55.803 0.115 0.000 0.869 297 Q CB -0.622 28.163 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 4.542 4.527 -0.000 0.000 0.295 298 F C 1.755 177.654 175.800 0.166 0.000 1.091 298 F CA 1.794 59.824 58.000 0.050 0.000 1.308 298 F CB -0.358 38.635 39.000 -0.011 0.000 1.030 298 F HN 0.238 nan 8.300 nan 0.000 0.487 299 H N -1.416 117.614 119.070 -0.067 0.000 2.363 299 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 299 H C 2.324 177.601 175.328 -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 3.827 4.120 -0.000 0.000 0.248 300 V C 2.666 178.847 176.094 0.145 0.000 1.053 300 V CA 1.756 64.103 62.300 0.078 0.000 1.027 300 V CB -0.825 31.035 31.823 0.062 0.000 0.646 300 V HN 0.515 nan 8.190 nan 0.000 0.447 301 A N -0.953 121.935 122.820 0.113 0.000 1.855 301 A HA -0.239 4.081 4.320 -0.000 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 0.113 0.000 0.613 301 A CB -1.150 17.941 19.000 0.151 0.000 0.829 301 A HN 0.430 nan 8.150 nan 0.000 0.442 302 T N -1.601 112.915 114.554 -0.063 0.000 2.737 302 T HA -0.221 4.129 4.350 -0.000 0.000 0.269 302 T C 1.636 176.321 174.700 -0.025 0.000 1.040 302 T CA 1.808 63.814 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 0.660 120.898 120.300 -0.103 0.000 2.556 303 Y HA 0.002 4.552 4.550 -0.000 0.000 0.290 303 Y C 1.620 177.509 175.900 -0.018 0.000 1.149 303 Y CA 1.156 59.220 58.100 -0.060 0.000 1.329 303 Y CB -0.293 38.141 38.460 -0.043 0.000 0.975 303 Y HN 0.274 nan 8.280 nan 0.000 0.561 304 M N -0.755 118.805 119.600 -0.068 0.000 2.300 304 M HA 0.201 4.681 4.480 -0.000 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 -0.008 0.000 1.586 304 M HN -0.020 nan 8.290 nan 0.000 0.562 305 D N -0.352 120.049 120.400 0.001 0.000 2.787 305 D HA 0.211 4.851 4.640 -0.000 0.000 0.215 305 D C -0.916 175.394 176.300 0.017 0.000 1.246 305 D CA -0.045 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 -0.031 nan 8.370 nan 0.000 0.507 306 N N 1.096 119.810 118.700 0.022 0.000 2.460 306 N HA 0.012 4.752 4.740 -0.000 0.000 0.193 306 N C 0.067 175.610 175.510 0.054 0.000 1.080 306 N CA 0.124 53.193 53.050 0.032 0.000 0.869 306 N CB 0.707 39.207 38.487 0.021 0.000 1.201 306 N HN 0.389 nan 8.380 nan 0.000 0.457 307 D N 1.649 122.076 120.400 0.045 0.000 2.346 307 D HA 0.130 4.770 4.640 -0.000 0.000 0.248 307 D C 0.453 176.786 176.300 0.055 0.000 1.173 307 D CA 0.137 54.165 54.000 0.046 0.000 0.878 307 D CB 0.367 41.186 40.800 0.032 0.000 0.919 307 D HN 0.314 nan 8.370 nan 0.000 0.513 308 I N 1.051 121.666 120.570 0.074 0.000 2.519 308 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 308 I C 0.899 177.068 176.117 0.087 0.000 1.047 308 I CA -0.785 60.565 61.300 0.083 0.000 1.381 308 I CB 0.998 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 4.899 127.761 122.820 0.071 0.000 2.505 309 A HA 0.498 4.818 4.320 -0.000 0.000 0.271 309 A C 0.818 178.443 177.584 0.069 0.000 1.112 309 A CA 0.880 52.953 52.037 0.060 0.000 0.781 309 A CB -0.658 18.370 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 0.119 4.079 3.960 -0.000 0.000 0.077 310 G HA3 0.119 4.079 3.960 -0.000 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 0.806 120.675 119.800 0.116 0.000 2.421 311 Q HA 0.601 4.941 4.340 -0.000 0.000 0.280 311 Q C -2.558 173.614 176.000 0.287 0.000 1.085 311 Q CA -1.684 54.203 55.803 0.141 0.000 0.807 311 Q CB 3.459 32.194 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 -1.299 176.152 177.300 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 32.833 31.700 0.119 0.000 1.327 313 Q N -0.912 118.972 119.800 0.140 0.000 2.342 313 Q HA 0.739 5.079 4.340 -0.000 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 -0.000 0.000 0.275 322 V C -2.145 173.953 176.094 0.006 0.000 1.859 322 V CA -0.695 61.620 62.300 0.025 0.000 0.858 322 V CB 1.678 33.518 31.823 0.029 0.000 1.365 322 V HN 0.891 nan 8.190 nan 0.000 0.394 323 K N 2.308 122.706 120.400 -0.003 0.000 2.589 323 K HA 0.450 4.770 4.320 -0.000 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 34.189 32.500 -0.031 0.000 1.345 323 K HN 0.983 nan 8.250 nan 0.000 0.478 324 S N 2.029 117.702 115.700 -0.044 0.000 2.301 324 S HA 0.462 4.932 4.470 -0.000 0.000 0.245 324 S C 1.155 175.688 174.600 -0.113 0.000 1.191 324 S CA -0.597 57.556 58.200 -0.079 0.000 1.032 324 S CB 0.297 63.463 63.200 -0.057 0.000 1.104 324 S HN 0.487 nan 8.310 nan 0.000 0.453 325 I N 0.020 120.511 120.570 -0.131 0.000 3.445 325 I HA 0.183 4.353 4.170 -0.000 0.000 0.288 325 I C 2.960 179.045 176.117 -0.053 0.000 1.198 325 I CA -0.141 61.087 61.300 -0.120 0.000 1.417 325 I CB -0.237 37.662 38.000 -0.168 0.000 1.205 325 I HN 0.494 nan 8.210 nan 0.000 0.448 326 R N 1.456 121.946 120.500 -0.017 0.000 2.115 326 R HA -0.238 4.102 4.340 -0.000 0.000 0.239 326 R C 2.347 178.637 176.300 -0.017 0.000 1.133 326 R CA 2.121 58.225 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 1.117 123.925 122.820 -0.020 0.000 2.009 327 A HA -0.253 4.067 4.320 -0.000 0.000 0.222 327 A C 2.159 179.724 177.584 -0.030 0.000 1.175 327 A CA 1.774 53.797 52.037 -0.023 0.000 0.651 327 A CB -0.508 18.478 19.000 -0.023 0.000 0.815 327 A HN 0.361 nan 8.150 nan 0.000 0.459 328 R N -0.874 119.603 120.500 -0.038 0.000 2.062 328 R HA 0.044 4.383 4.340 -0.000 0.000 0.229 328 R C 1.920 178.198 176.300 -0.037 0.000 1.128 328 R CA 1.479 57.556 56.100 -0.039 0.000 0.960 328 R CB -0.394 29.879 30.300 -0.046 0.000 0.855 328 R HN 0.562 nan 8.270 nan 0.000 0.432 329 L N 0.569 121.767 121.223 -0.041 0.000 2.418 329 L HA 0.070 4.410 4.340 -0.000 0.000 0.218 329 L C 0.850 177.693 176.870 -0.045 0.000 1.125 329 L CA 0.265 55.077 54.840 -0.046 0.000 0.835 329 L CB -0.293 41.728 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 0.066 4.386 4.320 -0.000 0.000 0.279 330 K C 0.723 177.298 176.600 -0.041 0.000 0.993 330 K CA 0.041 56.304 56.287 -0.039 0.000 1.030 330 K CB 0.493 32.975 32.500 -0.030 0.000 0.891 330 K HN 0.141 nan 8.250 nan 0.000 0.488 331 G N 2.836 111.605 108.800 -0.050 0.000 2.257 331 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.235 331 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.235 331 G C -0.423 174.451 174.900 -0.043 0.000 1.225 331 G CA 0.034 45.102 45.100 -0.055 0.000 0.878 331 G HN 0.705 nan 8.290 nan 0.000 0.505 332 K N 0.973 121.351 120.400 -0.036 0.000 7.487 332 K HA -0.222 4.098 4.320 -0.000 0.000 0.616 332 K C 0.897 177.483 176.600 -0.023 0.000 2.591 332 K CA 1.252 57.523 56.287 -0.026 0.000 1.991 332 K CB -0.221 32.263 32.500 -0.026 0.000 2.106 332 K HN 0.907 nan 8.250 nan 0.000 0.261 333 E N -1.842 118.347 120.200 -0.018 0.000 3.426 333 E HA -0.236 4.114 4.350 -0.000 0.000 0.291 333 E C 0.335 176.923 176.600 -0.020 0.000 0.898 333 E CA 2.046 58.435 56.400 -0.017 0.000 0.970 333 E CB -1.597 28.093 29.700 -0.017 0.000 1.489 333 E HN 0.835 nan 8.360 nan 0.000 0.461 334 G N -0.575 108.211 108.800 -0.023 0.000 2.719 334 G HA2 0.472 4.432 3.960 -0.000 0.000 0.298 334 G HA3 0.472 4.432 3.960 -0.000 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 0.808 121.293 120.500 -0.025 0.000 3.412 335 R HA -0.338 4.002 4.340 -0.000 0.000 0.604 335 R C 2.199 178.487 176.300 -0.020 0.000 0.243 335 R CA 1.933 58.019 56.100 -0.023 0.000 1.522 335 R CB -1.599 28.685 30.300 -0.026 0.000 0.726 335 R HN 0.649 nan 8.270 nan 0.000 0.542 336 I N 1.078 121.635 120.570 -0.022 0.000 2.130 336 I HA -0.404 3.766 4.170 -0.000 0.000 0.241 336 I C 2.848 178.957 176.117 -0.012 0.000 1.023 336 I CA 2.313 63.603 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 -0.010 120.481 120.500 -0.015 0.000 2.066 337 R HA -0.070 4.270 4.340 -0.000 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 -0.806 107.987 108.800 -0.013 0.000 3.233 338 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.234 338 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.234 338 G C 0.699 175.593 174.900 -0.010 0.000 1.137 338 G CA -0.194 44.900 45.100 -0.010 0.000 0.763 338 G HN 0.197 nan 8.290 nan 0.000 0.549 339 N N -0.567 118.126 118.700 -0.011 0.000 2.324 339 N HA 0.177 4.917 4.740 -0.000 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 0.578 39.056 38.487 -0.014 0.000 1.354 339 N HN 0.178 nan 8.380 nan 0.000 0.471 340 L N 0.379 121.596 121.223 -0.010 0.000 2.269 340 L HA 0.280 4.620 4.340 -0.000 0.000 0.200 340 L C 1.892 178.757 176.870 -0.008 0.000 1.069 340 L CA 0.627 55.462 54.840 -0.009 0.000 0.804 340 L CB 0.044 42.098 42.059 -0.008 0.000 0.987 340 L HN -0.020 nan 8.230 nan 0.000 0.468 341 M N -1.171 118.424 119.600 -0.007 0.000 2.465 341 M HA 0.202 4.682 4.480 -0.000 0.000 0.249 341 M C 0.459 176.754 176.300 -0.008 0.000 1.130 341 M CA 0.134 55.430 55.300 -0.007 0.000 1.067 341 M CB 0.595 33.194 32.600 -0.001 0.000 1.394 341 M HN 0.173 nan 8.290 nan 0.000 0.483 342 G N 1.546 110.342 108.800 -0.007 0.000 2.883 342 G HA2 0.519 4.479 3.960 -0.000 0.000 0.285 342 G HA3 0.519 4.479 3.960 -0.000 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 -0.002 0.000 2.306 343 K HA 0.583 4.903 4.320 -0.000 0.000 0.236 343 K C -0.228 176.380 176.600 0.014 0.000 1.013 343 K CA -1.104 55.185 56.287 0.002 0.000 0.857 343 K CB 2.160 34.660 32.500 0.000 0.000 1.214 343 K HN 0.232 nan 8.250 nan 0.000 0.449 344 R N 1.758 122.267 120.500 0.014 0.000 2.196 344 R HA 0.191 4.530 4.340 -0.000 0.000 0.340 344 R C -0.138 176.179 176.300 0.028 0.000 1.043 344 R CA -0.407 55.708 56.100 0.026 0.000 0.883 344 R CB 0.609 30.916 30.300 0.013 0.000 1.078 344 R HN 0.474 nan 8.270 nan 0.000 0.462 345 V N -0.652 119.297 119.914 0.059 0.000 2.834 345 V HA 0.427 4.547 4.120 -0.000 0.000 0.313 345 V C 0.252 176.380 176.094 0.058 0.000 1.060 345 V CA -1.061 61.278 62.300 0.066 0.000 0.989 345 V CB 1.737 33.621 31.823 0.102 0.000 1.041 345 V HN 0.451 nan 8.190 nan 0.000 0.459 346 D N 0.914 121.319 120.400 0.008 0.000 2.411 346 D HA 0.426 5.066 4.640 -0.000 0.000 0.251 346 D C 0.099 176.411 176.300 0.021 0.000 1.201 346 D CA 0.021 53.922 54.000 -0.164 0.000 0.996 346 D CB 0.285 40.794 40.800 -0.485 0.000 1.101 346 D HN 0.732 nan 8.370 nan 0.000 0.504 347 F N -0.962 119.041 119.950 0.088 0.000 2.983 347 F HA -0.246 4.281 4.527 -0.000 0.000 0.288 347 F C 0.353 176.223 175.800 0.117 0.000 0.980 347 F CA 0.022 58.084 58.000 0.104 0.000 0.965 347 F CB -1.980 37.084 39.000 0.107 0.000 0.967 347 F HN 0.146 nan 8.300 nan 0.000 0.800 348 S N -0.464 115.345 115.700 0.181 0.000 2.599 348 S HA 1.004 5.474 4.470 -0.000 0.000 0.287 348 S C -0.446 174.193 174.600 0.065 0.000 1.105 348 S CA -0.254 57.988 58.200 0.071 0.000 0.899 348 S CB 2.815 66.047 63.200 0.052 0.000 1.100 348 S HN 1.298 nan 8.310 nan 0.000 0.482 349 A N 1.055 123.905 122.820 0.050 0.000 2.594 349 A HA 0.905 5.225 4.320 -0.000 0.000 0.295 349 A C -0.855 176.873 177.584 0.240 0.000 1.071 349 A CA -0.880 51.253 52.037 0.161 0.000 0.685 349 A CB 1.728 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 0.475 121.109 120.500 0.224 0.000 2.566 350 R HA 0.730 5.070 4.340 -0.000 0.000 0.271 350 R C -1.228 175.140 176.300 0.114 0.000 1.071 350 R CA 0.176 56.436 56.100 0.266 0.000 0.915 350 R CB 2.032 32.407 30.300 0.124 0.000 1.228 350 R HN 1.054 nan 8.270 nan 0.000 0.449 351 T N -0.359 114.274 114.554 0.130 0.000 2.648 351 T HA 0.297 4.647 4.350 -0.000 0.000 0.304 351 T C -0.719 174.019 174.700 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 1.551 121.473 119.914 0.013 0.000 2.953 352 V HA 0.571 4.691 4.120 -0.000 0.000 0.304 352 V C 0.216 176.392 176.094 0.137 0.000 1.073 352 V CA -0.487 61.857 62.300 0.073 0.000 1.064 352 V CB 0.678 32.523 31.823 0.037 0.000 1.047 352 V HN 0.807 nan 8.190 nan 0.000 0.478 353 I N 0.848 121.548 120.570 0.217 0.000 2.797 353 I HA 0.961 5.131 4.170 -0.000 0.000 0.307 353 I C -0.228 176.081 176.117 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 1.743 117.492 115.700 0.082 0.000 2.550 354 S HA 0.750 5.220 4.470 -0.000 0.000 0.270 354 S C -0.331 173.636 174.600 -1.056 0.000 1.145 354 S CA -0.610 57.239 58.200 -0.584 0.000 0.852 354 S CB 1.001 64.002 63.200 -0.332 0.000 1.119 354 S HN 1.190 nan 8.310 nan 0.000 0.465 355 G N 0.318 107.859 108.800 -2.098 0.000 2.467 355 G HA2 0.479 4.439 3.960 -0.000 0.000 0.257 355 G HA3 0.479 4.439 3.960 -0.000 0.000 0.257 355 G C -1.046 173.613 174.900 -0.402 0.000 1.227 355 G CA -0.143 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 1.863 122.157 120.400 -0.176 0.000 2.476 356 D HA 0.249 4.889 4.640 -0.000 0.000 0.251 356 D C -1.700 174.568 176.300 -0.053 0.000 1.291 356 D CA -1.629 52.303 54.000 -0.113 0.000 0.939 356 D CB 2.449 43.197 40.800 -0.086 0.000 1.221 356 D HN 0.130 nan 8.370 nan 0.000 0.567 357 P HA 0.011 nan 4.420 nan 0.000 0.234 357 P C 0.086 177.373 177.300 -0.022 0.000 1.167 357 P CA 0.304 63.384 63.100 -0.033 0.000 0.763 357 P CB 0.450 32.117 31.700 -0.055 0.000 0.835 358 N N -0.028 118.669 118.700 -0.004 0.000 2.467 358 N HA 0.242 4.982 4.740 -0.000 0.000 0.278 358 N C -0.219 175.312 175.510 0.035 0.000 1.306 358 N CA -0.049 53.020 53.050 0.033 0.000 0.905 358 N CB 0.864 39.395 38.487 0.073 0.000 1.236 358 N HN 0.248 nan 8.380 nan 0.000 0.509 359 L N 0.528 121.763 121.223 0.021 0.000 2.381 359 L HA 0.345 4.685 4.340 -0.000 0.000 0.268 359 L C -0.028 176.860 176.870 0.031 0.000 0.997 359 L CA -0.765 54.085 54.840 0.017 0.000 0.818 359 L CB 2.270 44.324 42.059 -0.009 0.000 1.310 359 L HN -0.114 nan 8.230 nan 0.000 0.416 360 E N 1.974 122.196 120.200 0.037 0.000 2.383 360 E HA 0.007 4.357 4.350 -0.000 0.000 0.264 360 E C 0.698 177.331 176.600 0.054 0.000 1.050 360 E CA -0.222 56.211 56.400 0.055 0.000 0.896 360 E CB 1.210 30.944 29.700 0.058 0.000 0.982 360 E HN 0.468 nan 8.360 nan 0.000 0.424 361 L N 3.397 124.655 121.223 0.058 0.000 2.011 361 L HA -0.278 4.062 4.340 -0.000 0.000 0.225 361 L C 1.449 178.371 176.870 0.087 0.000 1.084 361 L CA 2.618 57.469 54.840 0.018 0.000 0.791 361 L CB -0.565 41.444 42.059 -0.084 0.000 0.898 361 L HN 0.621 nan 8.230 nan 0.000 0.440 362 D N -1.427 119.034 120.400 0.101 0.000 2.352 362 D HA -0.075 4.565 4.640 -0.000 0.000 0.232 362 D C 0.813 177.269 176.300 0.260 0.000 1.055 362 D CA 0.163 54.276 54.000 0.188 0.000 0.891 362 D CB -0.181 40.666 40.800 0.078 0.000 0.897 362 D HN 0.632 nan 8.370 nan 0.000 0.529 363 Q N -0.511 119.367 119.800 0.130 0.000 2.173 363 Q HA 0.576 4.916 4.340 -0.000 0.000 0.186 363 Q C -0.852 175.061 176.000 -0.145 0.000 1.018 363 Q CA -0.989 54.838 55.803 0.040 0.000 1.064 363 Q CB 2.299 31.036 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 0.517 4.637 4.120 -0.000 0.000 0.295 364 V C -1.324 174.624 176.094 -0.244 0.000 1.273 364 V CA -0.445 61.592 62.300 -0.438 0.000 0.949 364 V CB 1.894 33.232 31.823 -0.807 0.000 1.071 364 V HN 0.779 nan 8.190 nan 0.000 0.432 365 G N 5.172 113.869 108.800 -0.172 0.000 2.356 365 G HA2 0.527 4.487 3.960 -0.000 0.000 0.300 365 G HA3 0.527 4.487 3.960 -0.000 0.000 0.300 365 G C -0.653 174.271 174.900 0.039 0.000 1.107 365 G CA -0.234 44.832 45.100 -0.057 0.000 0.960 365 G HN 0.931 nan 8.290 nan 0.000 0.418 366 V N 6.204 126.136 119.914 0.029 0.000 2.350 366 V HA 0.266 4.386 4.120 -0.000 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 0.095 0.000 0.860 366 V CB 1.718 33.614 31.823 0.120 0.000 0.990 366 V HN 0.626 nan 8.190 nan 0.000 0.453 367 P HA 0.004 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 0.193 63.205 63.100 -0.148 0.000 0.763 367 P CB 0.767 32.352 31.700 -0.193 0.000 0.790 368 K N 3.847 124.129 120.400 -0.196 0.000 2.097 368 K HA -0.333 3.987 4.320 -0.000 0.000 0.223 368 K C 2.035 178.522 176.600 -0.188 0.000 1.049 368 K CA 3.037 59.172 56.287 -0.255 0.000 0.956 368 K CB -0.627 31.733 32.500 -0.234 0.000 0.746 368 K HN 0.556 nan 8.250 nan 0.000 0.461 369 S N 0.587 116.200 115.700 -0.145 0.000 2.359 369 S HA -0.225 4.245 4.470 -0.000 0.000 0.223 369 S C 2.067 176.618 174.600 -0.082 0.000 1.039 369 S CA 1.850 59.985 58.200 -0.108 0.000 1.042 369 S CB -0.830 62.314 63.200 -0.092 0.000 0.915 369 S HN 0.429 nan 8.310 nan 0.000 0.439 370 I N 2.514 123.035 120.570 -0.083 0.000 2.208 370 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 370 I C 3.097 179.228 176.117 0.024 0.000 1.097 370 I CA 1.309 62.593 61.300 -0.027 0.000 1.363 370 I CB -0.802 37.172 38.000 -0.043 0.000 1.051 370 I HN 0.486 nan 8.210 nan 0.000 0.413 371 A N 0.473 123.286 122.820 -0.013 0.000 1.933 371 A HA -0.209 4.110 4.320 -0.000 0.000 0.218 371 A C 2.256 179.863 177.584 0.039 0.000 1.175 371 A CA 1.442 53.504 52.037 0.041 0.000 0.628 371 A CB -0.409 18.569 19.000 -0.038 0.000 0.814 371 A HN 0.324 nan 8.150 nan 0.000 0.444 372 K N -1.028 119.305 120.400 -0.112 0.000 2.442 372 K HA -0.035 4.285 4.320 -0.000 0.000 0.198 372 K C 1.534 178.159 176.600 0.041 0.000 1.042 372 K CA 1.355 57.441 56.287 -0.335 0.000 0.958 372 K CB -0.051 32.280 32.500 -0.283 0.000 0.766 372 K HN 0.500 nan 8.250 nan 0.000 0.474 373 T N 0.872 115.484 114.554 0.097 0.000 2.980 373 T HA 0.139 4.489 4.350 -0.000 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 -0.017 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 0.284 4.624 4.340 -0.000 0.000 0.274 374 L C 0.558 177.620 176.870 0.320 0.000 1.201 374 L CA 0.142 55.163 54.840 0.300 0.000 0.869 374 L CB 0.291 42.506 42.059 0.260 0.000 1.123 374 L HN 0.167 nan 8.230 nan 0.000 0.484 375 T N 1.175 115.937 114.554 0.347 0.000 2.831 375 T HA 0.548 4.898 4.350 -0.000 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 0.263 0.000 1.010 375 T CB 1.269 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 2.743 123.039 120.300 -0.008 0.000 2.307 376 Y HA 0.439 4.989 4.550 -0.000 0.000 0.323 376 Y C -2.572 173.299 175.900 -0.049 0.000 1.100 376 Y CA -2.135 55.914 58.100 -0.085 0.000 1.140 376 Y CB 1.960 40.393 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 -0.831 176.345 177.300 -0.206 0.000 1.345 377 P CA 0.539 63.462 63.100 -0.294 0.000 1.119 377 P CB 0.501 32.006 31.700 -0.326 0.000 1.363 378 E N 3.281 123.553 120.200 0.120 0.000 2.175 378 E HA 0.328 4.678 4.350 -0.000 0.000 0.278 378 E C -0.873 175.813 176.600 0.142 0.000 0.969 378 E CA -0.957 55.588 56.400 0.241 0.000 0.796 378 E CB 1.191 31.063 29.700 0.286 0.000 1.104 378 E HN 0.055 nan 8.360 nan 0.000 0.395 379 V N 4.692 124.682 119.914 0.128 0.000 2.649 379 V HA 0.104 4.224 4.120 -0.000 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 33.452 31.823 0.094 0.000 0.992 379 V HN 0.608 nan 8.190 nan 0.000 0.480 380 V N 4.504 124.504 119.914 0.142 0.000 2.585 380 V HA 0.266 4.386 4.120 -0.000 0.000 0.296 380 V C 0.469 176.602 176.094 0.065 0.000 1.035 380 V CA 0.514 62.894 62.300 0.133 0.000 1.084 380 V CB 0.749 32.678 31.823 0.175 0.000 0.953 380 V HN 1.018 nan 8.190 nan 0.000 0.483 381 T N 7.120 121.670 114.554 -0.007 0.000 2.993 381 T HA 0.365 4.715 4.350 -0.000 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 0.448 nan 8.240 nan 0.000 0.464 382 P HA -0.176 nan 4.420 nan 0.000 0.218 382 P C 0.703 177.875 177.300 -0.213 0.000 1.147 382 P CA 1.545 64.396 63.100 -0.415 0.000 0.827 382 P CB -0.130 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 0.004 4.554 4.550 -0.000 0.000 0.303 383 Y C 1.823 177.722 175.900 -0.002 0.000 1.194 383 Y CA 0.266 58.350 58.100 -0.026 0.000 1.305 383 Y CB -0.718 37.724 38.460 -0.030 0.000 1.045 383 Y HN 0.218 nan 8.280 nan 0.000 0.514 384 N N -2.118 116.637 118.700 0.092 0.000 2.011 384 N HA -0.059 4.681 4.740 -0.000 0.000 0.254 384 N C 0.949 176.501 175.510 0.070 0.000 1.205 384 N CA -0.033 53.068 53.050 0.085 0.000 0.783 384 N CB -0.835 37.706 38.487 0.090 0.000 1.472 384 N HN 0.214 nan 8.380 nan 0.000 0.524 385 I N 1.760 122.378 120.570 0.080 0.000 2.346 385 I HA -0.463 3.707 4.170 -0.000 0.000 0.240 385 I C 1.192 177.337 176.117 0.046 0.000 0.970 385 I CA 2.413 63.760 61.300 0.078 0.000 1.269 385 I CB -0.312 37.754 38.000 0.110 0.000 0.971 385 I HN 0.255 nan 8.210 nan 0.000 0.412 386 D N -0.228 120.198 120.400 0.043 0.000 2.127 386 D HA -0.273 4.367 4.640 -0.000 0.000 0.190 386 D C 2.112 178.427 176.300 0.024 0.000 1.000 386 D CA 1.885 55.901 54.000 0.028 0.000 0.839 386 D CB -0.488 40.329 40.800 0.029 0.000 0.955 386 D HN 0.453 nan 8.370 nan 0.000 0.446 387 R N 0.644 121.162 120.500 0.030 0.000 2.073 387 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 387 R C 2.676 178.989 176.300 0.022 0.000 1.134 387 R CA 0.733 56.847 56.100 0.023 0.000 0.952 387 R CB -0.454 29.862 30.300 0.026 0.000 0.850 387 R HN 0.165 nan 8.270 nan 0.000 0.433 388 L N 0.179 121.424 121.223 0.035 0.000 1.989 388 L HA -0.196 4.144 4.340 -0.000 0.000 0.211 388 L C 2.551 179.439 176.870 0.030 0.000 1.071 388 L CA 2.034 56.898 54.840 0.040 0.000 0.749 388 L CB -0.616 41.481 42.059 0.063 0.000 0.890 388 L HN 0.308 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 -0.000 0.000 0.267 389 T C 1.737 176.442 174.700 0.009 0.000 1.036 389 T CA 1.756 63.864 62.100 0.014 0.000 1.148 389 T CB -0.194 68.673 68.868 -0.002 0.000 0.863 389 T HN 0.256 nan 8.240 nan 0.000 0.436 390 Q N 1.001 120.805 119.800 0.007 0.000 2.112 390 Q HA -0.099 4.241 4.340 -0.000 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 -0.732 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 -0.787 120.433 121.223 -0.005 0.000 2.005 391 L HA -0.139 4.201 4.340 -0.000 0.000 0.207 391 L C 2.375 179.230 176.870 -0.024 0.000 1.072 391 L CA 1.213 56.041 54.840 -0.019 0.000 0.744 391 L CB -0.966 41.075 42.059 -0.030 0.000 0.895 391 L HN 0.110 nan 8.230 nan 0.000 0.433 392 V N 0.161 120.067 119.914 -0.012 0.000 2.439 392 V HA -0.314 3.805 4.120 -0.000 0.000 0.253 392 V C 2.648 178.738 176.094 -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 -0.228 120.272 120.500 -0.001 0.000 2.115 393 R HA -0.046 4.294 4.340 -0.000 0.000 0.226 393 R C 2.196 178.496 176.300 -0.000 0.000 1.100 393 R CA 0.991 57.092 56.100 0.002 0.000 0.980 393 R CB -0.346 29.956 30.300 0.003 0.000 0.875 393 R HN 0.508 nan 8.270 nan 0.000 0.445 394 N N 0.407 119.106 118.700 -0.002 0.000 2.364 394 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 394 N C 0.755 176.272 175.510 0.012 0.000 1.022 394 N CA 1.280 54.333 53.050 0.006 0.000 0.883 394 N CB 0.002 38.494 38.487 0.008 0.000 0.965 394 N HN 0.317 nan 8.380 nan 0.000 0.438 395 G N 0.708 109.503 108.800 -0.009 0.000 2.846 395 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.660 395 G HA3 -0.178 3.782 3.960 -0.000 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 0.099 nan 8.290 nan 0.000 0.552 396 P HA 0.009 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 1.090 64.248 63.100 0.096 0.000 0.763 396 P CB -0.272 31.391 31.700 -0.061 0.000 1.067 397 N N -0.916 117.855 118.700 0.118 0.000 2.390 397 N HA 0.148 4.887 4.740 -0.000 0.000 0.259 397 N C -0.551 174.984 175.510 0.042 0.000 1.395 397 N CA -0.261 52.824 53.050 0.058 0.000 0.852 397 N CB 0.730 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 -0.352 119.893 120.200 0.074 0.000 2.275 398 E HA 0.152 4.502 4.350 -0.000 0.000 0.270 398 E C 0.000 176.647 176.600 0.078 0.000 0.882 398 E CA -0.488 55.946 56.400 0.056 0.000 0.758 398 E CB 1.293 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 4.890 123.937 119.070 -0.039 0.000 2.371 399 H HA -0.104 4.452 4.556 -0.000 0.000 0.292 399 H C -1.358 174.022 175.328 0.086 0.000 1.066 399 H CA 2.432 58.439 56.048 -0.068 0.000 1.153 399 H CB -0.832 28.889 29.762 -0.069 0.000 1.375 399 H HN 0.394 nan 8.280 nan 0.000 0.558 400 P HA 0.060 nan 4.420 nan 0.000 0.311 400 P C -0.210 177.041 177.300 -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 -0.620 108.273 108.800 0.155 0.000 2.702 401 G HA2 0.758 4.718 3.960 -0.000 0.000 0.254 401 G HA3 0.758 4.718 3.960 -0.000 0.000 0.254 401 G C -0.865 173.821 174.900 -0.357 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 -1.465 121.057 122.820 -0.496 0.000 2.567 402 A HA 0.851 5.171 4.320 -0.000 0.000 0.289 402 A C -1.025 176.306 177.584 -0.421 0.000 1.177 402 A CA -0.713 50.964 52.037 -0.600 0.000 0.694 402 A CB 1.541 20.396 19.000 -0.241 0.000 1.292 402 A HN 0.595 nan 8.150 nan 0.000 0.425 403 K N -0.573 119.650 120.400 -0.295 0.000 2.482 403 K HA 0.650 4.970 4.320 -0.000 0.000 0.257 403 K C -1.693 174.811 176.600 -0.159 0.000 0.969 403 K CA -0.734 55.367 56.287 -0.309 0.000 0.842 403 K CB 1.743 34.046 32.500 -0.327 0.000 1.359 403 K HN 0.684 nan 8.250 nan 0.000 0.441 404 Y N -1.011 119.254 120.300 -0.059 0.000 2.525 404 Y HA -0.258 4.292 4.550 -0.000 0.000 0.028 404 Y C -0.544 175.338 175.900 -0.029 0.000 1.718 404 Y CA -0.388 57.686 58.100 -0.042 0.000 1.406 404 Y CB -0.631 37.812 38.460 -0.027 0.000 2.052 404 Y HN 0.203 nan 8.280 nan 0.000 0.257 405 V N 5.767 125.768 119.914 0.146 0.000 2.482 405 V HA 0.455 4.575 4.120 -0.000 0.000 0.295 405 V C -0.042 176.016 176.094 -0.060 0.000 1.026 405 V CA -0.834 61.508 62.300 0.069 0.000 0.856 405 V CB 1.682 33.565 31.823 0.101 0.000 1.001 405 V HN 0.473 nan 8.190 nan 0.000 0.424 406 I N 5.162 125.680 120.570 -0.086 0.000 2.353 406 I HA 0.562 4.732 4.170 -0.000 0.000 0.293 406 I C 0.340 176.199 176.117 -0.430 0.000 0.992 406 I CA -0.440 60.739 61.300 -0.200 0.000 1.268 406 I CB 1.292 39.228 38.000 -0.108 0.000 1.387 406 I HN 0.537 nan 8.210 nan 0.000 0.478 407 R N 3.156 123.299 120.500 -0.595 0.000 2.902 407 R HA 0.308 4.648 4.340 -0.000 0.000 0.258 407 R C 0.424 176.492 176.300 -0.388 0.000 1.071 407 R CA -0.851 54.693 56.100 -0.926 0.000 1.024 407 R CB 0.911 30.521 30.300 -1.151 0.000 1.184 407 R HN 0.471 nan 8.270 nan 0.000 0.492 408 D N 0.649 120.914 120.400 -0.225 0.000 2.204 408 D HA -0.241 4.399 4.640 -0.000 0.000 0.189 408 D C 1.651 177.925 176.300 -0.043 0.000 1.006 408 D CA 2.584 56.574 54.000 -0.018 0.000 0.855 408 D CB -0.362 40.493 40.800 0.093 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 -0.000 0.000 0.236 409 S C 1.735 176.298 174.600 -0.062 0.000 1.007 409 S CA 1.136 59.305 58.200 -0.051 0.000 0.965 409 S CB 0.088 63.258 63.200 -0.051 0.000 0.773 409 S HN 0.506 nan 8.310 nan 0.000 0.504 410 G N 0.940 109.679 108.800 -0.102 0.000 2.141 410 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.195 410 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.195 410 G C -0.645 174.190 174.900 -0.109 0.000 1.012 410 G CA -0.130 44.914 45.100 -0.093 0.000 0.696 410 G HN 0.479 nan 8.290 nan 0.000 0.508 411 D N -0.222 120.090 120.400 -0.147 0.000 2.253 411 D HA 0.488 5.128 4.640 -0.000 0.000 0.249 411 D C 0.510 176.720 176.300 -0.151 0.000 1.049 411 D CA -0.216 53.704 54.000 -0.134 0.000 0.929 411 D CB 1.074 41.795 40.800 -0.132 0.000 1.176 411 D HN 0.182 nan 8.370 nan 0.000 0.437 412 R N 1.711 122.149 120.500 -0.103 0.000 2.275 412 R HA 0.387 4.727 4.340 -0.000 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 3.087 123.668 120.570 0.017 0.000 2.347 413 I HA -0.004 4.166 4.170 -0.000 0.000 0.294 413 I C 0.304 176.500 176.117 0.133 0.000 1.090 413 I CA -0.018 61.312 61.300 0.049 0.000 1.314 413 I CB 0.650 38.654 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 -0.000 0.000 0.253 414 D C 1.022 177.245 176.300 -0.130 0.000 1.255 414 D CA -0.068 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 -0.000 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 -0.160 41.808 42.059 -0.152 0.000 0.968 415 L HN 0.408 nan 8.230 nan 0.000 0.453 416 R N -1.602 118.704 120.500 -0.324 0.000 2.282 416 R HA 0.099 4.439 4.340 -0.000 0.000 0.195 416 R C -0.086 176.151 176.300 -0.106 0.000 0.909 416 R CA -0.034 55.877 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 0.063 120.346 120.300 -0.029 0.000 2.512 417 Y HA 0.486 5.036 4.550 -0.000 0.000 0.348 417 Y C -0.321 175.579 175.900 -0.001 0.000 0.990 417 Y CA -1.538 56.557 58.100 -0.009 0.000 1.033 417 Y CB 2.677 41.136 38.460 -0.001 0.000 1.259 417 Y HN 0.013 nan 8.280 nan 0.000 0.461 418 S N 1.839 117.638 115.700 0.165 0.000 3.005 418 S HA -0.058 4.412 4.470 -0.000 0.000 0.258 418 S C 0.298 174.939 174.600 0.068 0.000 0.620 418 S CA -0.439 57.819 58.200 0.097 0.000 0.680 418 S CB -0.439 62.804 63.200 0.073 0.000 1.032 418 S HN 0.889 nan 8.310 nan 0.000 0.602 419 K N 2.789 123.223 120.400 0.057 0.000 2.184 419 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 419 K C 0.889 177.513 176.600 0.041 0.000 1.048 419 K CA 1.693 58.005 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 0.482 121.009 120.500 0.046 0.000 3.534 420 R HA 0.259 4.599 4.340 -0.000 0.000 0.312 420 R C 0.631 176.961 176.300 0.049 0.000 1.419 420 R CA 0.145 56.273 56.100 0.047 0.000 1.262 420 R CB 0.771 31.103 30.300 0.053 0.000 1.437 420 R HN 0.347 nan 8.270 nan 0.000 0.627 421 A N -0.269 122.576 122.820 0.042 0.000 2.220 421 A HA 0.150 4.470 4.320 -0.000 0.000 0.211 421 A C 1.670 179.270 177.584 0.027 0.000 1.176 421 A CA 0.448 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 -1.095 107.721 108.800 0.027 0.000 3.233 422 G HA2 0.222 4.182 3.960 -0.000 0.000 0.234 422 G HA3 0.222 4.182 3.960 -0.000 0.000 0.234 422 G C 0.479 175.392 174.900 0.021 0.000 1.137 422 G CA 0.623 45.736 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 -0.000 0.000 0.216 423 D C 0.686 177.009 176.300 0.039 0.000 1.147 423 D CA -0.448 53.570 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 1.357 121.965 120.570 0.063 0.000 8.240 424 I HA -0.228 3.942 4.170 -0.000 0.000 0.126 424 I C -0.701 175.440 176.117 0.039 0.000 1.791 424 I CA 0.115 61.475 61.300 0.101 0.000 2.143 424 I CB -0.475 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 7.156 126.943 119.800 -0.021 0.000 2.360 425 Q HA 0.513 4.853 4.340 -0.000 0.000 0.254 425 Q C -0.095 175.733 176.000 -0.287 0.000 0.975 425 Q CA -0.733 54.994 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 2.618 123.700 121.223 -0.235 0.000 2.485 426 L HA -0.010 4.330 4.340 -0.000 0.000 0.275 426 L C 0.586 177.082 176.870 -0.623 0.000 1.207 426 L CA 0.410 55.045 54.840 -0.342 0.000 0.855 426 L CB 0.165 42.163 42.059 -0.101 0.000 1.114 426 L HN 0.344 nan 8.230 nan 0.000 0.485 427 Q N 3.011 122.186 119.800 -1.040 0.000 2.331 427 Q HA 0.323 4.663 4.340 -0.000 0.000 0.267 427 Q C -0.914 174.814 176.000 -0.453 0.000 1.006 427 Q CA -0.633 54.589 55.803 -0.968 0.000 0.818 427 Q CB 1.707 29.553 28.738 -1.486 0.000 1.276 427 Q HN 0.400 nan 8.270 nan 0.000 0.450 428 Y N 0.328 120.468 120.300 -0.267 0.000 2.895 428 Y HA 0.022 4.572 4.550 -0.000 0.000 0.334 428 Y C 1.645 177.523 175.900 -0.036 0.000 1.261 428 Y CA 0.948 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 1.518 110.447 108.800 0.215 0.000 2.259 429 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 429 G HA3 -0.244 3.716 3.960 -0.000 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 1.269 122.604 121.300 0.059 0.000 2.030 430 W HA 0.731 5.391 4.660 -0.000 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 0.037 0.000 1.204 430 W HN 0.019 nan 8.180 nan 0.000 0.649 431 K N 0.585 121.114 120.400 0.214 0.000 2.345 431 K HA 0.514 4.834 4.320 -0.000 0.000 0.255 431 K C -1.366 175.309 176.600 0.124 0.000 0.934 431 K CA -0.856 55.506 56.287 0.126 0.000 0.801 431 K CB 2.215 34.740 32.500 0.042 0.000 1.137 431 K HN 0.038 nan 8.250 nan 0.000 0.424 432 V N 3.438 123.425 119.914 0.122 0.000 2.250 432 V HA 0.088 4.208 4.120 -0.000 0.000 0.268 432 V C -0.181 175.965 176.094 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 32.530 31.823 0.109 0.000 1.072 432 V HN 0.720 nan 8.190 nan 0.000 0.451 433 E N 4.992 125.245 120.200 0.088 0.000 2.481 433 E HA -0.041 4.309 4.350 -0.000 0.000 0.240 433 E C 0.424 177.056 176.600 0.054 0.000 1.193 433 E CA 0.124 56.580 56.400 0.093 0.000 0.955 433 E CB 0.239 30.044 29.700 0.176 0.000 1.006 433 E HN 0.707 nan 8.360 nan 0.000 0.483 434 R N 2.258 122.802 120.500 0.072 0.000 2.596 434 R HA 0.364 4.704 4.340 -0.000 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 0.444 119.553 119.070 0.065 0.000 2.801 435 H HA 0.083 4.639 4.556 -0.000 0.000 0.377 435 H C 0.446 175.842 175.328 0.113 0.000 1.304 435 H CA -0.170 55.932 56.048 0.090 0.000 1.451 435 H CB 0.506 30.295 29.762 0.046 0.000 1.474 435 H HN 0.340 nan 8.280 nan 0.000 0.620 436 I N 2.563 123.321 120.570 0.312 0.000 2.471 436 I HA 0.007 4.177 4.170 -0.000 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 37.842 38.000 0.187 0.000 1.403 436 I HN 0.340 nan 8.210 nan 0.000 0.530 437 M N 3.618 123.302 119.600 0.140 0.000 2.823 437 M HA 0.341 4.821 4.480 -0.000 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 0.820 33.455 32.600 0.058 0.000 1.595 437 M HN 0.315 nan 8.290 nan 0.000 0.524 438 D N 1.128 121.593 120.400 0.108 0.000 2.382 438 D HA 0.091 4.731 4.640 -0.000 0.000 0.240 438 D C 0.212 176.528 176.300 0.026 0.000 1.146 438 D CA 0.863 54.899 54.000 0.060 0.000 0.897 438 D CB 0.264 41.097 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 4.561 4.740 -0.000 0.000 0.245 439 N C -0.785 174.717 175.510 -0.013 0.000 1.001 439 N CA 0.780 53.832 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 0.519 120.909 120.400 -0.017 0.000 2.368 440 D HA 0.222 4.862 4.640 -0.000 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 0.492 41.265 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 -1.024 176.300 177.300 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 1.361 121.313 119.914 0.063 0.000 2.925 442 V HA 0.473 4.593 4.120 -0.000 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 0.093 0.000 0.954 442 V CB 2.273 34.138 31.823 0.070 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 -0.000 0.000 0.287 443 L C -1.162 175.885 176.870 0.294 0.000 1.072 443 L CA -0.348 54.614 54.840 0.204 0.000 0.819 443 L CB 0.814 42.985 42.059 0.186 0.000 1.176 443 L HN 0.794 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 4.978 4.527 -0.000 0.000 0.342 444 F C -0.182 175.625 175.800 0.012 0.000 1.121 444 F CA -0.959 57.038 58.000 -0.005 0.000 0.997 444 F CB 1.058 40.108 39.000 0.084 0.000 1.130 444 F HN 0.529 nan 8.300 nan 0.000 0.454 445 N N 5.257 123.696 118.700 -0.434 0.000 2.284 445 N HA 0.428 5.168 4.740 -0.000 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 -0.318 0.000 0.774 445 N CB 2.712 41.208 38.487 0.016 0.000 1.548 445 N HN 0.798 nan 8.380 nan 0.000 0.473 446 R N 1.122 121.463 120.500 -0.265 0.000 2.637 446 R HA 0.372 4.711 4.340 -0.000 0.000 0.291 446 R C -1.008 175.256 176.300 -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 -0.178 0.000 1.160 446 R HN 0.614 nan 8.270 nan 0.000 0.457 447 Q N 3.515 123.282 119.800 -0.055 0.000 2.257 447 Q HA 0.438 4.778 4.340 -0.000 0.000 0.262 447 Q C -2.132 173.848 176.000 -0.033 0.000 0.997 447 Q CA -2.100 53.686 55.803 -0.029 0.000 0.873 447 Q CB 1.870 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 0.060 nan 4.420 nan 0.000 0.275 448 P C -0.959 176.321 177.300 -0.034 0.000 1.227 448 P CA -0.294 62.787 63.100 -0.032 0.000 0.781 448 P CB 0.868 32.544 31.700 -0.040 0.000 0.906 449 S N 2.717 118.405 115.700 -0.021 0.000 3.729 449 S HA 0.193 4.663 4.470 -0.000 0.000 0.235 449 S C 0.630 175.213 174.600 -0.028 0.000 1.367 449 S CA -0.555 57.640 58.200 -0.008 0.000 0.907 449 S CB -0.842 62.364 63.200 0.011 0.000 1.471 449 S HN 0.341 nan 8.310 nan 0.000 0.476 450 L N 0.250 121.425 121.223 -0.080 0.000 3.064 450 L HA 0.610 4.950 4.340 -0.000 0.000 0.233 450 L C 0.069 176.869 176.870 -0.117 0.000 1.333 450 L CA -0.049 54.719 54.840 -0.118 0.000 1.140 450 L CB -1.228 40.723 42.059 -0.179 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 -0.074 0.000 2.863 451 H HA 0.313 4.869 4.556 -0.000 0.000 0.274 451 H C -0.105 175.171 175.328 -0.087 0.000 1.457 451 H CA -0.846 55.145 56.048 -0.095 0.000 1.151 451 H CB 1.640 31.335 29.762 -0.113 0.000 1.844 451 H HN -0.029 nan 8.280 nan 0.000 0.562 452 K N 0.163 120.555 120.400 -0.013 0.000 2.168 452 K HA 0.057 4.377 4.320 -0.000 0.000 0.201 452 K C 1.525 178.068 176.600 -0.095 0.000 1.049 452 K CA 0.843 57.090 56.287 -0.067 0.000 0.974 452 K CB 0.177 32.607 32.500 -0.117 0.000 0.792 452 K HN 0.266 nan 8.250 nan 0.000 0.463 453 M N 1.423 120.907 119.600 -0.194 0.000 2.521 453 M HA -0.118 4.362 4.480 -0.000 0.000 0.260 453 M C 1.640 177.758 176.300 -0.302 0.000 1.068 453 M CA 1.355 56.475 55.300 -0.300 0.000 1.060 453 M CB -0.326 32.036 32.600 -0.397 0.000 1.398 453 M HN -0.050 nan 8.290 nan 0.000 0.473 454 S N -0.747 114.931 115.700 -0.037 0.000 2.489 454 S HA 0.189 4.659 4.470 -0.000 0.000 0.228 454 S C 0.726 175.474 174.600 0.246 0.000 0.995 454 S CA 0.648 58.913 58.200 0.108 0.000 0.934 454 S CB -0.025 63.235 63.200 0.099 0.000 0.771 454 S HN 0.420 nan 8.310 nan 0.000 0.522 455 M N 1.749 121.428 119.600 0.132 0.000 2.093 455 M HA 0.492 4.972 4.480 -0.000 0.000 0.297 455 M C -1.241 175.126 176.300 0.110 0.000 0.938 455 M CA 0.217 55.615 55.300 0.164 0.000 0.920 455 M CB 1.712 34.358 32.600 0.077 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 0.191 0.000 2.531 456 M HA 0.715 5.195 4.480 -0.000 0.000 0.286 456 M C -0.633 175.625 176.300 -0.071 0.000 1.232 456 M CA -0.897 54.404 55.300 0.001 0.000 0.877 456 M CB 2.449 34.984 32.600 -0.108 0.000 1.726 456 M HN 0.665 nan 8.290 nan 0.000 0.463 457 A N 1.449 124.181 122.820 -0.146 0.000 2.328 457 A HA 0.627 4.947 4.320 -0.000 0.000 0.284 457 A C -0.949 176.489 177.584 -0.243 0.000 1.160 457 A CA -0.262 51.714 52.037 -0.102 0.000 0.818 457 A CB 0.154 19.127 19.000 -0.044 0.000 1.087 457 A HN 0.809 nan 8.150 nan 0.000 0.504 458 H N 1.392 120.492 119.070 0.050 0.000 2.747 458 H HA 0.358 4.914 4.556 -0.000 0.000 0.371 458 H C -0.458 174.858 175.328 -0.021 0.000 1.161 458 H CA -0.631 55.422 56.048 0.008 0.000 1.167 458 H CB 1.516 31.253 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 4.582 4.340 -0.000 0.000 0.304 459 R C -0.109 176.206 176.300 0.024 0.000 1.072 459 R CA -0.490 55.640 56.100 0.050 0.000 0.980 459 R CB 0.715 31.038 30.300 0.038 0.000 0.986 459 R HN 0.211 nan 8.270 nan 0.000 0.448 460 V N 3.614 123.534 119.914 0.010 0.000 2.963 460 V HA 0.059 4.179 4.120 -0.000 0.000 0.306 460 V C 0.535 176.626 176.094 -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 3.339 123.727 120.400 -0.021 0.000 2.761 461 K HA 0.300 4.620 4.320 -0.000 0.000 0.257 461 K C -1.318 175.259 176.600 -0.038 0.000 1.053 461 K CA -0.393 55.883 56.287 -0.018 0.000 1.035 461 K CB 1.560 34.046 32.500 -0.023 0.000 1.267 461 K HN 0.431 nan 8.250 nan 0.000 0.505 462 V N 6.089 125.970 119.914 -0.055 0.000 2.572 462 V HA 0.307 4.427 4.120 -0.000 0.000 0.291 462 V C 0.825 176.843 176.094 -0.128 0.000 1.039 462 V CA -0.089 62.122 62.300 -0.148 0.000 1.055 462 V CB 0.080 31.688 31.823 -0.358 0.000 0.969 462 V HN 0.613 nan 8.190 nan 0.000 0.482 463 I N 3.225 123.722 120.570 -0.120 0.000 3.102 463 I HA 0.721 4.891 4.170 -0.000 0.000 0.310 463 I C -2.715 173.346 176.117 -0.093 0.000 1.246 463 I CA -2.559 58.695 61.300 -0.076 0.000 0.979 463 I CB 2.461 40.450 38.000 -0.019 0.000 1.267 463 I HN 0.368 nan 8.210 nan 0.000 0.451 464 P HA 0.147 nan 4.420 nan 0.000 0.274 464 P C -0.983 176.255 177.300 -0.104 0.000 1.264 464 P CA 0.511 63.468 63.100 -0.238 0.000 0.795 464 P CB 0.183 31.623 31.700 -0.433 0.000 1.064 465 Y N -2.971 117.280 120.300 -0.082 0.000 2.501 465 Y HA -0.226 4.324 4.550 -0.000 0.000 0.097 465 Y C 0.997 176.830 175.900 -0.111 0.000 1.696 465 Y CA 0.940 58.990 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 -1.213 114.516 115.700 0.050 0.000 2.449 466 S HA 0.506 4.976 4.470 -0.000 0.000 0.237 466 S C -0.392 174.127 174.600 -0.135 0.000 1.214 466 S CA -0.005 58.151 58.200 -0.074 0.000 1.226 466 S CB 0.047 63.195 63.200 -0.087 0.000 0.904 466 S HN 0.867 nan 8.310 nan 0.000 0.490 467 T N -1.422 113.060 114.554 -0.120 0.000 2.893 467 T HA 0.674 5.024 4.350 -0.000 0.000 0.291 467 T C -0.432 174.192 174.700 -0.126 0.000 1.028 467 T CA -0.826 61.193 62.100 -0.135 0.000 0.995 467 T CB 0.622 69.460 68.868 -0.050 0.000 1.051 467 T HN 0.214 nan 8.240 nan 0.000 0.470 468 F N 1.730 121.679 119.950 -0.003 0.000 2.529 468 F HA 0.335 4.862 4.527 -0.000 0.000 0.365 468 F C 1.616 177.377 175.800 -0.065 0.000 1.102 468 F CA -0.533 57.428 58.000 -0.065 0.000 1.271 468 F CB 0.744 39.740 39.000 -0.007 0.000 1.120 468 F HN 0.246 nan 8.300 nan 0.000 0.579 469 R N 4.705 125.249 120.500 0.073 0.000 2.343 469 R HA 0.554 4.894 4.340 -0.000 0.000 0.320 469 R C -1.375 174.896 176.300 -0.048 0.000 0.956 469 R CA -0.988 55.105 56.100 -0.011 0.000 0.836 469 R CB 1.544 31.818 30.300 -0.043 0.000 1.151 469 R HN 0.489 nan 8.270 nan 0.000 0.450 470 L N -0.064 121.170 121.223 0.019 0.000 2.388 470 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 470 L C -0.120 176.801 176.870 0.084 0.000 0.998 470 L CA -1.045 53.808 54.840 0.022 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 1.215 119.947 118.700 0.055 0.000 2.454 471 N HA 0.101 4.841 4.740 -0.000 0.000 0.254 471 N C 0.778 176.373 175.510 0.141 0.000 1.228 471 N CA 0.199 53.294 53.050 0.075 0.000 0.900 471 N CB 0.979 39.495 38.487 0.049 0.000 1.089 471 N HN 0.884 nan 8.380 nan 0.000 0.449 472 L N 2.015 123.326 121.223 0.145 0.000 2.083 472 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 472 L C 1.943 178.884 176.870 0.119 0.000 1.083 472 L CA 0.994 55.946 54.840 0.187 0.000 0.752 472 L CB -0.273 41.886 42.059 0.167 0.000 0.899 472 L HN 0.501 nan 8.230 nan 0.000 0.433 473 S N -1.163 114.575 115.700 0.064 0.000 2.803 473 S HA -0.004 4.466 4.470 -0.000 0.000 0.226 473 S C 1.309 175.852 174.600 -0.096 0.000 0.962 473 S CA 0.159 58.348 58.200 -0.019 0.000 0.968 473 S CB 0.221 63.385 63.200 -0.060 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 -0.000 0.000 0.294 474 V C 1.967 178.180 176.094 0.198 0.000 1.404 474 V CA 0.675 63.041 62.300 0.110 0.000 1.065 474 V CB 0.131 32.126 31.823 0.287 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 -0.000 0.000 0.264 475 T C 2.140 176.866 174.700 0.044 0.000 1.058 475 T CA 2.483 64.626 62.100 0.072 0.000 1.166 475 T CB -0.214 68.653 68.868 -0.001 0.000 0.863 475 T HN 0.735 nan 8.240 nan 0.000 0.415 476 S N 1.891 117.591 115.700 0.000 0.000 2.370 476 S HA -0.086 4.384 4.470 -0.000 0.000 0.226 476 S C -0.581 173.999 174.600 -0.033 0.000 1.033 476 S CA 1.229 59.418 58.200 -0.018 0.000 1.011 476 S CB -1.867 61.322 63.200 -0.018 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 0.781 177.979 177.300 -0.170 0.000 1.150 477 P CA 1.185 64.166 63.100 -0.199 0.000 0.837 477 P CB -0.210 31.240 31.700 -0.416 0.000 0.786 478 Y N -2.685 117.610 120.300 -0.008 0.000 2.511 478 Y HA 0.121 4.671 4.550 -0.000 0.000 0.279 478 Y C 0.808 176.666 175.900 -0.070 0.000 1.157 478 Y CA -0.114 57.959 58.100 -0.045 0.000 1.300 478 Y CB -0.514 37.894 38.460 -0.086 0.000 1.052 478 Y HN -0.100 nan 8.280 nan 0.000 0.529 479 N N 0.639 119.375 118.700 0.059 0.000 2.708 479 N HA -0.181 4.559 4.740 -0.000 0.000 0.255 479 N C -0.807 174.680 175.510 -0.038 0.000 1.046 479 N CA 0.602 53.646 53.050 -0.009 0.000 0.715 479 N CB -0.969 37.498 38.487 -0.034 0.000 0.895 479 N HN 0.425 nan 8.380 nan 0.000 0.545 480 A N 0.685 123.465 122.820 -0.066 0.000 2.309 480 A HA 0.804 5.124 4.320 -0.000 0.000 0.317 480 A C -0.197 177.203 177.584 -0.306 0.000 1.134 480 A CA 0.215 52.150 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 -2.526 117.620 120.400 -0.422 0.000 2.622 481 D HA 0.416 5.056 4.640 -0.000 0.000 0.255 481 D C -1.149 174.826 176.300 -0.541 0.000 1.246 481 D CA -0.462 53.226 54.000 -0.521 0.000 0.795 481 D CB 0.186 40.859 40.800 -0.212 0.000 1.369 481 D HN 0.206 nan 8.370 nan 0.000 0.425 482 F N 0.215 120.174 119.950 0.014 0.000 2.916 482 F HA 0.198 4.725 4.527 -0.000 0.000 0.294 482 F C 0.902 176.703 175.800 0.002 0.000 1.189 482 F CA -0.692 57.314 58.000 0.010 0.000 1.369 482 F CB 0.187 39.193 39.000 0.009 0.000 0.961 482 F HN 0.306 nan 8.300 nan 0.000 0.508 483 D N -0.853 119.600 120.400 0.088 0.000 2.328 483 D HA 0.183 4.823 4.640 -0.000 0.000 0.226 483 D C 1.690 178.020 176.300 0.049 0.000 1.066 483 D CA 0.658 54.694 54.000 0.059 0.000 0.861 483 D CB 0.389 41.202 40.800 0.022 0.000 0.912 483 D HN 0.413 nan 8.370 nan 0.000 0.521 484 G N -0.189 108.650 108.800 0.065 0.000 2.902 484 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 484 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 484 G C -0.458 174.469 174.900 0.044 0.000 0.976 484 G CA -0.416 44.713 45.100 0.050 0.000 0.794 484 G HN 0.218 nan 8.290 nan 0.000 0.557 485 D N 1.637 122.057 120.400 0.033 0.000 2.548 485 D HA 0.308 4.948 4.640 -0.000 0.000 0.231 485 D C 0.602 176.931 176.300 0.048 0.000 1.142 485 D CA 0.906 54.915 54.000 0.015 0.000 0.866 485 D CB 0.793 41.577 40.800 -0.026 0.000 1.190 485 D HN 0.530 nan 8.370 nan 0.000 0.469 486 E N 0.721 120.941 120.200 0.034 0.000 2.235 486 E HA 0.567 4.917 4.350 -0.000 0.000 0.265 486 E C -0.215 176.411 176.600 0.044 0.000 0.940 486 E CA -0.730 55.711 56.400 0.068 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 1.565 121.236 119.600 0.119 0.000 2.501 487 M HA 0.364 4.844 4.480 -0.000 0.000 0.293 487 M C -1.106 175.221 176.300 0.045 0.000 1.192 487 M CA -0.989 54.282 55.300 -0.048 0.000 0.886 487 M CB 2.105 34.523 32.600 -0.305 0.000 1.710 487 M HN 0.335 nan 8.290 nan 0.000 0.457 488 N N 2.170 120.783 118.700 -0.145 0.000 2.473 488 N HA 0.654 5.394 4.740 -0.000 0.000 0.291 488 N C -1.508 173.899 175.510 -0.171 0.000 1.083 488 N CA -0.436 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 2.203 123.324 121.223 -0.171 0.000 2.365 489 L HA 0.485 4.825 4.340 -0.000 0.000 0.273 489 L C -1.123 175.574 176.870 -0.288 0.000 1.000 489 L CA -0.459 54.310 54.840 -0.119 0.000 0.819 489 L CB 1.340 43.304 42.059 -0.159 0.000 1.284 489 L HN 0.507 nan 8.230 nan 0.000 0.418 490 H N 3.843 122.988 119.070 0.126 0.000 2.600 490 H HA 0.569 5.125 4.556 -0.000 0.000 0.357 490 H C -1.212 174.197 175.328 0.134 0.000 1.106 490 H CA -0.702 55.429 56.048 0.138 0.000 1.193 490 H CB 2.276 32.104 29.762 0.111 0.000 1.594 490 H HN 0.428 nan 8.280 nan 0.000 0.526 491 V N 4.846 124.918 119.914 0.265 0.000 2.398 491 V HA 0.205 4.325 4.120 -0.000 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 0.087 nan 4.420 nan 0.000 0.266 492 P C -0.492 176.835 177.300 0.046 0.000 1.195 492 P CA 0.104 63.262 63.100 0.096 0.000 0.768 492 P CB 1.474 33.251 31.700 0.128 0.000 0.838 493 Q N 0.553 120.303 119.800 -0.084 0.000 2.353 493 Q HA 0.169 4.509 4.340 -0.000 0.000 0.240 493 Q C 0.136 175.951 176.000 -0.308 0.000 0.868 493 Q CA 0.698 56.304 55.803 -0.327 0.000 0.944 493 Q CB 0.434 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 0.049 115.695 115.700 -0.090 0.000 2.537 494 S HA 0.176 4.646 4.470 -0.000 0.000 0.301 494 S C 0.523 175.170 174.600 0.079 0.000 1.092 494 S CA -0.566 57.611 58.200 -0.038 0.000 1.048 494 S CB 1.678 64.865 63.200 -0.022 0.000 1.053 494 S HN 0.110 nan 8.310 nan 0.000 0.501 495 E N 2.093 122.354 120.200 0.102 0.000 2.171 495 E HA -0.210 4.139 4.350 -0.000 0.000 0.197 495 E C 1.300 177.953 176.600 0.088 0.000 0.997 495 E CA 1.831 58.314 56.400 0.137 0.000 0.810 495 E CB -0.037 29.729 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 0.061 0.000 2.006 496 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 496 E C 2.143 178.773 176.600 0.050 0.000 0.993 496 E CA 1.599 58.029 56.400 0.049 0.000 0.808 496 E CB -0.423 29.298 29.700 0.036 0.000 0.764 496 E HN 0.185 nan 8.360 nan 0.000 0.449 497 T N 1.681 116.262 114.554 0.044 0.000 2.635 497 T HA -0.300 4.049 4.350 -0.000 0.000 0.265 497 T C 1.798 176.532 174.700 0.057 0.000 1.058 497 T CA 2.126 64.252 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 1.208 121.757 120.500 0.083 0.000 2.094 498 R HA -0.054 4.286 4.340 -0.000 0.000 0.239 498 R C 2.926 179.251 176.300 0.042 0.000 1.137 498 R CA 1.476 57.619 56.100 0.071 0.000 0.943 498 R CB -0.799 29.545 30.300 0.073 0.000 0.850 498 R HN 0.440 nan 8.270 nan 0.000 0.433 499 A N 1.353 124.198 122.820 0.042 0.000 1.917 499 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 499 A C 2.051 179.653 177.584 0.029 0.000 1.182 499 A CA 1.794 53.851 52.037 0.032 0.000 0.633 499 A CB -0.535 18.488 19.000 0.038 0.000 0.819 499 A HN 0.440 nan 8.150 nan 0.000 0.448 500 E N -0.651 119.569 120.200 0.033 0.000 2.204 500 E HA -0.114 4.236 4.350 -0.000 0.000 0.195 500 E C 1.849 178.459 176.600 0.016 0.000 0.990 500 E CA 0.811 57.228 56.400 0.028 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 -0.115 121.119 121.223 0.018 0.000 2.145 501 L HA -0.060 4.280 4.340 -0.000 0.000 0.201 501 L C 2.501 179.371 176.870 -0.001 0.000 1.075 501 L CA 1.080 55.926 54.840 0.011 0.000 0.773 501 L CB -0.344 41.730 42.059 0.025 0.000 0.936 501 L HN 0.157 nan 8.230 nan 0.000 0.451 502 S N -1.331 114.371 115.700 0.004 0.000 2.515 502 S HA -0.125 4.345 4.470 -0.000 0.000 0.231 502 S C 1.685 176.282 174.600 -0.005 0.000 0.987 502 S CA 0.580 58.778 58.200 -0.003 0.000 0.936 502 S CB 0.081 63.281 63.200 -0.000 0.000 0.766 502 S HN 0.295 nan 8.310 nan 0.000 0.528 503 Q N -0.781 119.018 119.800 -0.001 0.000 2.316 503 Q HA 0.489 4.829 4.340 -0.000 0.000 0.235 503 Q C 1.095 177.089 176.000 -0.009 0.000 0.863 503 Q CA 0.246 56.048 55.803 -0.000 0.000 0.939 503 Q CB 0.401 29.146 28.738 0.011 0.000 1.108 503 Q HN 0.410 nan 8.270 nan 0.000 0.522 504 L N -2.227 118.988 121.223 -0.014 0.000 2.663 504 L HA 0.145 4.485 4.340 -0.000 0.000 0.218 504 L C 0.924 177.768 176.870 -0.043 0.000 1.043 504 L CA 0.764 55.588 54.840 -0.027 0.000 0.876 504 L CB 0.090 42.140 42.059 -0.015 0.000 1.263 504 L HN 0.082 nan 8.230 nan 0.000 0.486 505 C N 0.596 119.873 119.300 -0.039 0.000 2.780 505 C HA 0.654 5.114 4.460 -0.000 0.000 0.287 505 C C 1.236 176.180 174.990 -0.076 0.000 1.288 505 C CA -1.128 57.857 59.018 -0.055 0.000 1.713 505 C CB -1.491 26.228 27.740 -0.036 0.000 1.955 505 C HN 0.316 nan 8.230 nan 0.000 0.613 506 A N 0.951 123.729 122.820 -0.070 0.000 2.462 506 A HA 0.386 4.706 4.320 -0.000 0.000 0.243 506 A C 1.373 178.888 177.584 -0.115 0.000 1.076 506 A CA 0.094 52.080 52.037 -0.086 0.000 0.773 506 A CB 0.373 19.343 19.000 -0.050 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 -0.160 0.000 2.380 507 V HA -0.193 3.927 4.120 -0.000 0.000 0.251 507 V C -0.411 175.619 176.094 -0.108 0.000 1.063 507 V CA 2.676 64.881 62.300 -0.158 0.000 1.055 507 V CB -1.649 30.095 31.823 -0.131 0.000 0.657 507 V HN 0.789 nan 8.190 nan 0.000 0.455 508 P HA -0.166 nan 4.420 nan 0.000 0.213 508 P C 1.905 179.176 177.300 -0.049 0.000 1.170 508 P CA 1.472 64.551 63.100 -0.036 0.000 0.902 508 P CB -0.163 31.532 31.700 -0.009 0.000 0.789 509 L N -1.023 120.167 121.223 -0.055 0.000 2.351 509 L HA -0.208 4.132 4.340 -0.000 0.000 0.220 509 L C 1.961 178.774 176.870 -0.095 0.000 1.127 509 L CA 1.257 56.059 54.840 -0.063 0.000 0.786 509 L CB -0.857 41.165 42.059 -0.061 0.000 0.914 509 L HN 0.104 nan 8.230 nan 0.000 0.443 510 Q N -0.619 119.111 119.800 -0.117 0.000 2.282 510 Q HA 0.180 4.520 4.340 -0.000 0.000 0.206 510 Q C 2.120 178.024 176.000 -0.160 0.000 0.878 510 Q CA 0.201 55.912 55.803 -0.152 0.000 0.944 510 Q CB 0.641 29.270 28.738 -0.181 0.000 1.100 510 Q HN 0.597 nan 8.270 nan 0.000 0.509 511 I N 0.032 120.527 120.570 -0.125 0.000 2.163 511 I HA -0.157 4.013 4.170 -0.000 0.000 0.243 511 I C 0.854 176.892 176.117 -0.132 0.000 1.085 511 I CA 0.985 62.220 61.300 -0.108 0.000 1.347 511 I CB 0.056 38.048 38.000 -0.014 0.000 1.044 511 I HN -0.136 nan 8.210 nan 0.000 0.408 512 V N 2.776 122.594 119.914 -0.161 0.000 2.320 512 V HA 0.095 4.215 4.120 -0.000 0.000 0.265 512 V C 0.427 176.391 176.094 -0.216 0.000 1.048 512 V CA -0.383 61.775 62.300 -0.238 0.000 0.865 512 V CB 0.764 32.416 31.823 -0.285 0.000 1.043 512 V HN 0.360 nan 8.190 nan 0.000 0.474 513 S N 7.394 122.975 115.700 -0.199 0.000 2.562 513 S HA 0.410 4.880 4.470 -0.000 0.000 0.275 513 S C -1.128 173.394 174.600 -0.131 0.000 1.281 513 S CA -1.128 56.962 58.200 -0.183 0.000 1.045 513 S CB 1.584 64.657 63.200 -0.213 0.000 0.962 513 S HN 0.557 nan 8.310 nan 0.000 0.503 514 P HA -0.155 nan 4.420 nan 0.000 0.225 514 P C 1.420 178.778 177.300 0.096 0.000 1.156 514 P CA 0.960 64.056 63.100 -0.007 0.000 0.787 514 P CB 0.056 31.762 31.700 0.010 0.000 0.802 515 Q N 1.563 121.366 119.800 0.004 0.000 2.020 515 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 515 Q C 1.884 177.885 176.000 0.001 0.000 0.982 515 Q CA 2.486 58.265 55.803 -0.041 0.000 0.838 515 Q CB -1.130 27.483 28.738 -0.208 0.000 0.899 515 Q HN 0.218 nan 8.270 nan 0.000 0.423 516 S N 0.565 116.263 115.700 -0.003 0.000 2.605 516 S HA 0.070 4.540 4.470 -0.000 0.000 0.217 516 S C 0.405 175.106 174.600 0.169 0.000 0.958 516 S CA 0.158 58.405 58.200 0.077 0.000 0.919 516 S CB -0.480 62.756 63.200 0.060 0.000 0.780 516 S HN 0.762 nan 8.310 nan 0.000 0.507 517 N N 1.468 120.238 118.700 0.116 0.000 2.650 517 N HA -0.323 4.417 4.740 -0.000 0.000 0.249 517 N C -0.270 175.304 175.510 0.107 0.000 1.155 517 N CA 2.014 55.132 53.050 0.113 0.000 0.747 517 N CB -2.017 36.582 38.487 0.186 0.000 1.132 517 N HN 0.899 nan 8.380 nan 0.000 0.564 518 K N -2.058 118.360 120.400 0.031 0.000 2.279 518 K HA 0.661 4.981 4.320 -0.000 0.000 0.238 518 K C -3.041 173.425 176.600 -0.224 0.000 1.084 518 K CA -2.025 54.233 56.287 -0.049 0.000 0.885 518 K CB 2.098 34.647 32.500 0.082 0.000 1.319 518 K HN -0.069 nan 8.250 nan 0.000 0.494 519 P HA 0.066 nan 4.420 nan 0.000 0.274 519 P C 0.333 177.570 177.300 -0.105 0.000 1.246 519 P CA -0.474 62.506 63.100 -0.200 0.000 0.795 519 P CB 0.741 32.361 31.700 -0.133 0.000 1.006 520 C N 0.302 119.537 119.300 -0.108 0.000 2.976 520 C HA 0.596 5.056 4.460 -0.000 0.000 0.274 520 C C 0.040 174.978 174.990 -0.086 0.000 1.487 520 C CA -0.533 58.423 59.018 -0.102 0.000 1.789 520 C CB -1.389 26.251 27.740 -0.166 0.000 2.771 520 C HN 0.357 nan 8.230 nan 0.000 0.551 521 M N 1.418 120.992 119.600 -0.043 0.000 2.206 521 M HA 0.504 4.984 4.480 -0.000 0.000 0.272 521 M C 0.278 176.662 176.300 0.141 0.000 1.012 521 M CA 0.147 55.425 55.300 -0.036 0.000 0.986 521 M CB 1.962 34.437 32.600 -0.208 0.000 1.740 521 M HN 0.417 nan 8.290 nan 0.000 0.472 522 G N 3.195 112.084 108.800 0.149 0.000 3.099 522 G HA2 0.869 4.829 3.960 -0.000 0.000 0.151 522 G HA3 0.869 4.829 3.960 -0.000 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 0.224 0.000 0.981 522 G HN 0.589 nan 8.290 nan 0.000 0.601 523 I N 0.725 121.388 120.570 0.156 0.000 2.478 523 I HA 0.388 4.558 4.170 -0.000 0.000 0.287 523 I C -0.524 175.633 176.117 0.067 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 0.056 0.000 1.233 523 I HN 0.153 nan 8.210 nan 0.000 0.431 524 V N 4.311 124.267 119.914 0.069 0.000 3.182 524 V HA 0.555 4.675 4.120 -0.000 0.000 0.311 524 V C 0.437 176.555 176.094 0.040 0.000 1.221 524 V CA -0.618 61.710 62.300 0.047 0.000 1.060 524 V CB 1.264 33.118 31.823 0.053 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 3.992 4.340 -0.000 0.000 0.427 525 Q C 1.248 177.258 176.000 0.016 0.000 0.692 525 Q CA 2.293 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 0.378 120.794 120.400 0.026 0.000 2.087 526 D HA -0.097 4.543 4.640 -0.000 0.000 0.192 526 D C 2.013 178.303 176.300 -0.016 0.000 0.993 526 D CA 2.302 56.306 54.000 0.007 0.000 0.828 526 D CB -0.734 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 1.062 115.613 114.554 -0.004 0.000 2.737 527 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 527 T C 1.831 176.509 174.700 -0.037 0.000 1.040 527 T CA 0.893 62.984 62.100 -0.015 0.000 1.142 527 T CB -0.313 68.558 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 -0.031 0.000 2.034 528 L HA 0.119 4.459 4.340 -0.000 0.000 0.203 528 L C 2.731 179.546 176.870 -0.090 0.000 1.074 528 L CA 1.393 56.203 54.840 -0.050 0.000 0.748 528 L CB -1.363 40.680 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 4.315 4.460 -0.000 0.000 0.276 529 C C 2.718 177.568 174.990 -0.232 0.000 1.217 529 C CA 1.132 60.027 59.018 -0.205 0.000 1.766 529 C CB -1.683 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 -0.149 108.562 108.800 -0.149 0.000 2.454 530 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.214 530 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.214 530 G C 1.581 176.387 174.900 -0.156 0.000 1.217 530 G CA 0.728 45.779 45.100 -0.082 0.000 0.799 530 G HN 0.607 nan 8.290 nan 0.000 0.538 531 I N 0.715 121.197 120.570 -0.147 0.000 2.231 531 I HA -0.367 3.803 4.170 -0.000 0.000 0.251 531 I C 2.813 178.791 176.117 -0.231 0.000 1.076 531 I CA 2.193 63.376 61.300 -0.195 0.000 1.347 531 I CB -0.055 37.861 38.000 -0.140 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 -0.188 0.000 2.070 532 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 532 R C 2.307 178.481 176.300 -0.209 0.000 1.138 532 R CA 1.961 57.957 56.100 -0.173 0.000 0.936 532 R CB -0.217 30.003 30.300 -0.135 0.000 0.839 532 R HN 0.357 nan 8.270 nan 0.000 0.429 533 K N 0.697 120.970 120.400 -0.213 0.000 1.987 533 K HA -0.209 4.111 4.320 -0.000 0.000 0.216 533 K C 2.111 178.456 176.600 -0.426 0.000 1.051 533 K CA 1.645 57.813 56.287 -0.198 0.000 0.942 533 K CB -0.762 31.713 32.500 -0.042 0.000 0.722 533 K HN 0.174 nan 8.250 nan 0.000 0.444 534 L N 1.775 122.495 121.223 -0.838 0.000 2.369 534 L HA -0.218 4.122 4.340 -0.000 0.000 0.220 534 L C 1.797 178.286 176.870 -0.635 0.000 1.119 534 L CA 1.878 55.983 54.840 -1.224 0.000 0.780 534 L CB -0.559 40.761 42.059 -1.232 0.000 0.906 534 L HN 0.186 nan 8.230 nan 0.000 0.442 535 T N -0.805 113.501 114.554 -0.412 0.000 3.039 535 T HA 0.207 4.557 4.350 -0.000 0.000 0.250 535 T C 0.811 175.373 174.700 -0.230 0.000 1.052 535 T CA -0.386 61.545 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 -0.107 4.233 4.340 -0.000 0.000 0.301 536 L C 1.878 178.638 176.870 -0.183 0.000 1.248 536 L CA 0.202 54.958 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 0.227 nan 8.230 nan 0.000 0.500 537 R N 1.434 121.851 120.500 -0.139 0.000 2.103 537 R HA -0.194 4.146 4.340 -0.000 0.000 0.242 537 R C 1.428 177.570 176.300 -0.263 0.000 1.142 537 R CA 1.722 57.715 56.100 -0.178 0.000 0.960 537 R CB -0.213 30.054 30.300 -0.055 0.000 0.858 537 R HN 0.699 nan 8.270 nan 0.000 0.439 538 D N 0.377 120.728 120.400 -0.083 0.000 2.354 538 D HA -0.074 4.566 4.640 -0.000 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 0.067 40.914 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 4.681 4.350 -0.000 0.000 0.298 539 T C -0.309 174.157 174.700 -0.390 0.000 0.962 539 T CA -0.277 61.724 62.100 -0.164 0.000 0.972 539 T CB 0.236 69.006 68.868 -0.164 0.000 0.928 539 T HN -0.179 nan 8.240 nan 0.000 0.474 540 F N 2.758 122.794 119.950 0.144 0.000 2.577 540 F HA 0.732 5.259 4.527 -0.000 0.000 0.318 540 F C -0.175 175.766 175.800 0.234 0.000 1.065 540 F CA -1.234 56.868 58.000 0.169 0.000 0.929 540 F CB 1.390 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 0.760 121.605 120.570 0.458 0.000 2.785 541 I HA 0.396 4.566 4.170 -0.000 0.000 0.302 541 I C -0.846 175.507 176.117 0.394 0.000 1.069 541 I CA -0.748 60.777 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 3.965 124.328 120.200 0.271 0.000 2.299 542 E HA 0.458 4.808 4.350 -0.000 0.000 0.265 542 E C 0.350 177.002 176.600 0.087 0.000 0.911 542 E CA -0.871 55.699 56.400 0.284 0.000 0.789 542 E CB 1.740 31.586 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 -0.448 3.892 4.340 -0.000 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 -0.000 0.000 0.189 544 D C 1.868 178.161 176.300 -0.011 0.000 1.007 544 D CA 2.510 56.503 54.000 -0.012 0.000 0.859 544 D CB -0.731 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 0.222 120.035 119.800 0.022 0.000 1.990 545 Q HA -0.087 4.253 4.340 -0.000 0.000 0.200 545 Q C 2.772 178.770 176.000 -0.003 0.000 0.980 545 Q CA 1.517 57.382 55.803 0.104 0.000 0.832 545 Q CB -0.041 28.796 28.738 0.166 0.000 0.897 545 Q HN 0.259 nan 8.270 nan 0.000 0.427 546 V N 1.738 121.565 119.914 -0.145 0.000 2.252 546 V HA -0.358 3.762 4.120 -0.000 0.000 0.255 546 V C 2.340 178.215 176.094 -0.365 0.000 1.071 546 V CA 2.032 64.113 62.300 -0.364 0.000 1.050 546 V CB -0.943 30.366 31.823 -0.858 0.000 0.654 546 V HN 0.409 nan 8.190 nan 0.000 0.448 547 L N -0.039 120.996 121.223 -0.313 0.000 2.127 547 L HA -0.193 4.147 4.340 -0.000 0.000 0.211 547 L C 2.520 179.237 176.870 -0.256 0.000 1.089 547 L CA 1.633 56.307 54.840 -0.277 0.000 0.757 547 L CB -0.786 41.178 42.059 -0.159 0.000 0.899 547 L HN 0.458 nan 8.230 nan 0.000 0.434 548 N N -0.072 118.528 118.700 -0.167 0.000 2.135 548 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 548 N C 1.965 177.339 175.510 -0.227 0.000 1.027 548 N CA 1.189 54.131 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 0.802 120.297 119.600 -0.174 0.000 2.082 549 M HA -0.175 4.304 4.480 -0.000 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 -0.541 32.053 32.600 -0.011 0.000 1.336 549 M HN 0.095 nan 8.290 nan 0.000 0.404 550 L N -1.368 119.574 121.223 -0.469 0.000 1.970 550 L HA -0.272 4.068 4.340 -0.000 0.000 0.212 550 L C 2.646 179.061 176.870 -0.759 0.000 1.071 550 L CA 1.579 55.855 54.840 -0.941 0.000 0.751 550 L CB -1.056 40.008 42.059 -1.658 0.000 0.889 550 L HN 0.224 nan 8.230 nan 0.000 0.432 551 Y N -0.508 119.370 120.300 -0.702 0.000 2.151 551 Y HA -0.309 4.241 4.550 -0.000 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 -0.011 121.095 121.300 -0.323 0.000 2.325 552 W HA -0.168 4.492 4.660 -0.000 0.000 0.299 552 W C 0.666 177.038 176.519 -0.245 0.000 1.215 552 W CA 1.158 58.291 57.345 -0.353 0.000 1.244 552 W CB -0.335 28.890 29.460 -0.392 0.000 1.140 552 W HN -0.317 nan 8.180 nan 0.000 0.523 553 V N 3.693 123.654 119.914 0.078 0.000 2.421 553 V HA -0.065 4.055 4.120 -0.000 0.000 0.271 553 V C -0.677 175.473 176.094 0.093 0.000 1.031 553 V CA -0.705 61.640 62.300 0.074 0.000 1.032 553 V CB 0.570 32.419 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 1.217 64.347 63.100 0.051 0.000 0.837 554 P CB 0.409 32.133 31.700 0.040 0.000 0.786 555 D N -1.680 118.795 120.400 0.125 0.000 2.325 555 D HA -0.011 4.629 4.640 -0.000 0.000 0.234 555 D C 0.388 176.804 176.300 0.194 0.000 1.122 555 D CA -0.217 53.858 54.000 0.124 0.000 0.850 555 D CB -0.513 40.340 40.800 0.089 0.000 0.921 555 D HN 0.178 nan 8.370 nan 0.000 0.513 556 W N 3.761 125.078 121.300 0.028 0.000 2.257 556 W HA -0.073 4.587 4.660 -0.000 0.000 0.337 556 W C 1.077 177.619 176.519 0.038 0.000 1.321 556 W CA -0.634 56.734 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 3.623 123.833 120.400 -0.317 0.000 2.325 557 D HA 0.041 4.681 4.640 -0.000 0.000 0.234 557 D C 1.585 177.343 176.300 -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 40.010 40.800 -0.194 0.000 0.921 557 D HN 0.761 nan 8.370 nan 0.000 0.513 558 G N 0.267 107.851 108.800 -2.026 0.000 2.256 558 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.279 558 G HA3 -0.308 3.652 3.960 -0.000 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 -2.509 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 -0.774 0.000 2.304 559 V HA 0.324 4.444 4.120 -0.000 0.000 0.269 559 V C 1.099 177.343 176.094 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 -0.082 0.000 1.036 559 V HN 0.332 nan 8.190 nan 0.000 0.466 560 I N 8.772 129.567 120.570 0.376 0.000 2.742 560 I HA 0.073 4.243 4.170 -0.000 0.000 0.287 560 I C -1.434 174.903 176.117 0.367 0.000 1.186 560 I CA -0.727 60.845 61.300 0.453 0.000 1.417 560 I CB 0.476 38.690 38.000 0.357 0.000 1.377 560 I HN 0.429 nan 8.210 nan 0.000 0.556 561 P HA 0.142 nan 4.420 nan 0.000 0.282 561 P C -0.499 177.080 177.300 0.465 0.000 1.249 561 P CA -0.453 62.866 63.100 0.364 0.000 0.806 561 P CB 0.775 32.674 31.700 0.332 0.000 0.984 562 T N 4.640 119.335 114.554 0.235 0.000 2.902 562 T HA 0.134 4.484 4.350 -0.000 0.000 0.301 562 T C -2.021 172.589 174.700 -0.150 0.000 1.012 562 T CA -0.211 61.934 62.100 0.074 0.000 1.151 562 T CB -0.737 68.142 68.868 0.019 0.000 0.946 562 T HN 0.371 nan 8.240 nan 0.000 0.542 563 P HA 0.087 nan 4.420 nan 0.000 0.267 563 P C 0.327 177.329 177.300 -0.496 0.000 1.201 563 P CA -0.126 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 3.128 125.758 122.820 -0.317 0.000 2.014 564 A HA 0.003 4.323 4.320 -0.000 0.000 0.218 564 A C 0.947 178.472 177.584 -0.099 0.000 1.163 564 A CA 1.231 53.217 52.037 -0.085 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 -0.815 119.646 120.570 -0.182 0.000 2.569 565 I HA 0.363 4.532 4.170 -0.000 0.000 0.296 565 I C 0.093 176.072 176.117 -0.229 0.000 1.028 565 I CA -0.324 60.877 61.300 -0.165 0.000 1.082 565 I CB 2.112 40.020 38.000 -0.153 0.000 1.264 565 I HN 0.096 nan 8.210 nan 0.000 0.429 566 I N 3.923 124.397 120.570 -0.159 0.000 4.439 566 I HA 0.031 4.201 4.170 -0.000 0.000 0.331 566 I C 1.151 177.211 176.117 -0.094 0.000 1.345 566 I CA -0.224 60.990 61.300 -0.144 0.000 1.193 566 I CB 0.125 38.055 38.000 -0.116 0.000 1.221 566 I HN 0.570 nan 8.210 nan 0.000 0.429 567 K N 3.114 123.462 120.400 -0.087 0.000 2.797 567 K HA 0.110 4.430 4.320 -0.000 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 -0.067 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 64.824 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 -0.979 119.394 120.400 -0.045 0.000 2.557 569 K HA 0.305 4.624 4.320 -0.000 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 2.632 35.122 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 0.479 32.093 31.700 -0.143 0.000 1.132 571 L N 4.350 125.490 121.223 -0.137 0.000 2.334 571 L HA 0.526 4.866 4.340 -0.000 0.000 0.276 571 L C 0.295 177.240 176.870 0.125 0.000 1.014 571 L CA -0.456 54.462 54.840 0.131 0.000 0.815 571 L CB 1.031 43.128 42.059 0.063 0.000 1.268 571 L HN 0.370 nan 8.230 nan 0.000 0.428 572 W N 0.914 122.340 121.300 0.210 0.000 2.578 572 W HA 0.570 5.230 4.660 -0.000 0.000 0.353 572 W C 0.360 177.026 176.519 0.245 0.000 1.088 572 W CA -0.652 56.808 57.345 0.192 0.000 1.235 572 W CB 2.158 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 -0.246 115.651 115.700 0.328 0.000 2.730 573 S HA 0.530 5.000 4.470 -0.000 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 1.374 64.499 63.200 -0.126 0.000 1.058 573 S HN 0.589 nan 8.310 nan 0.000 0.552 574 G N 0.801 109.494 108.800 -0.177 0.000 2.434 574 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.214 574 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.214 574 G C 1.220 176.030 174.900 -0.150 0.000 1.202 574 G CA 0.708 45.678 45.100 -0.216 0.000 0.788 574 G HN 0.782 nan 8.290 nan 0.000 0.539 575 K N 0.179 120.492 120.400 -0.146 0.000 2.052 575 K HA -0.246 4.074 4.320 -0.000 0.000 0.215 575 K C 2.646 179.223 176.600 -0.039 0.000 1.053 575 K CA 1.785 58.013 56.287 -0.099 0.000 0.934 575 K CB -0.334 32.116 32.500 -0.083 0.000 0.717 575 K HN 0.327 nan 8.250 nan 0.000 0.450 576 Q N 0.341 120.151 119.800 0.016 0.000 2.028 576 Q HA -0.254 4.086 4.340 -0.000 0.000 0.213 576 Q C 2.358 178.408 176.000 0.084 0.000 1.017 576 Q CA 2.486 58.349 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 0.600 nan 8.270 nan 0.000 0.413 577 I N -1.944 118.656 120.570 0.050 0.000 2.286 577 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 577 I C 2.384 178.480 176.117 -0.036 0.000 1.104 577 I CA 0.806 62.101 61.300 -0.007 0.000 1.397 577 I CB -0.526 37.445 38.000 -0.048 0.000 1.072 577 I HN 0.111 nan 8.210 nan 0.000 0.417 578 L N 2.084 123.268 121.223 -0.064 0.000 2.051 578 L HA -0.222 4.118 4.340 -0.000 0.000 0.214 578 L C 2.515 179.352 176.870 -0.055 0.000 1.076 578 L CA 2.138 56.930 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 -0.000 0.000 0.243 579 S C 1.906 176.508 174.600 0.002 0.000 1.003 579 S CA 1.185 59.371 58.200 -0.023 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 1.502 121.424 119.914 0.014 0.000 2.453 580 V HA -0.145 3.975 4.120 -0.000 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 -1.224 30.622 31.823 0.038 0.000 0.672 580 V HN 0.550 nan 8.190 nan 0.000 0.457 581 A N 0.197 123.014 122.820 -0.005 0.000 1.877 581 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 581 A C 1.258 178.827 177.584 -0.026 0.000 1.186 581 A CA 0.915 52.942 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 2.377 122.921 120.570 -0.043 0.000 2.668 582 I HA 0.072 4.242 4.170 -0.000 0.000 0.285 582 I C -1.760 174.336 176.117 -0.034 0.000 1.168 582 I CA -1.552 59.714 61.300 -0.057 0.000 1.424 582 I CB 0.514 38.470 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 -0.951 176.323 177.300 -0.042 0.000 1.276 583 P CA -0.519 62.569 63.100 -0.021 0.000 0.788 583 P CB 0.583 32.274 31.700 -0.015 0.000 1.114 584 N N -1.103 117.578 118.700 -0.032 0.000 2.483 584 N HA 0.280 5.020 4.740 -0.000 0.000 0.269 584 N C 1.327 176.790 175.510 -0.080 0.000 1.209 584 N CA 0.668 53.687 53.050 -0.051 0.000 0.969 584 N CB -0.033 38.442 38.487 -0.020 0.000 1.173 584 N HN 0.803 nan 8.380 nan 0.000 0.475 585 G N -0.181 108.536 108.800 -0.139 0.000 2.159 585 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.256 585 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.256 585 G C -0.134 174.570 174.900 -0.327 0.000 0.977 585 G CA -0.227 44.788 45.100 -0.141 0.000 0.652 585 G HN 0.463 nan 8.290 nan 0.000 0.531 586 I N 2.162 122.486 120.570 -0.410 0.000 2.331 586 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 586 I C 0.280 176.071 176.117 -0.543 0.000 0.998 586 I CA -0.590 60.517 61.300 -0.321 0.000 1.267 586 I CB 0.796 38.697 38.000 -0.165 0.000 1.386 586 I HN 0.118 nan 8.210 nan 0.000 0.476 587 H N 6.311 125.377 119.070 -0.006 0.000 2.622 587 H HA 0.669 5.225 4.556 -0.000 0.000 0.363 587 H C -1.154 174.157 175.328 -0.028 0.000 1.151 587 H CA -0.912 55.129 56.048 -0.012 0.000 1.184 587 H CB 3.243 33.010 29.762 0.009 0.000 1.643 587 H HN 0.334 nan 8.280 nan 0.000 0.531 588 L N 2.034 123.289 121.223 0.053 0.000 2.737 588 L HA 0.183 4.523 4.340 -0.000 0.000 0.261 588 L C -1.211 175.625 176.870 -0.056 0.000 0.949 588 L CA -0.096 54.738 54.840 -0.010 0.000 0.952 588 L CB 1.820 43.845 42.059 -0.056 0.000 1.337 588 L HN 0.618 nan 8.230 nan 0.000 0.430 589 Q N 3.027 122.822 119.800 -0.009 0.000 2.226 589 Q HA 0.590 4.930 4.340 -0.000 0.000 0.256 589 Q C -0.244 175.762 176.000 0.011 0.000 0.962 589 Q CA -0.431 55.373 55.803 0.003 0.000 0.887 589 Q CB 2.992 31.833 28.738 0.172 0.000 1.282 589 Q HN 0.744 nan 8.270 nan 0.000 0.449 590 R N 0.979 121.450 120.500 -0.047 0.000 3.815 590 R HA 0.273 4.613 4.340 -0.000 0.000 0.133 590 R C -0.989 175.451 176.300 0.234 0.000 1.740 590 R CA 0.040 56.148 56.100 0.014 0.000 1.270 590 R CB 0.748 30.974 30.300 -0.123 0.000 1.340 590 R HN 0.576 nan 8.270 nan 0.000 0.449 591 F N 2.002 121.984 119.950 0.055 0.000 2.160 591 F HA -0.180 4.347 4.527 -0.000 0.000 0.500 591 F C -0.622 175.202 175.800 0.040 0.000 1.264 591 F CA 0.304 58.351 58.000 0.079 0.000 1.610 591 F CB -0.718 38.322 39.000 0.065 0.000 2.559 591 F HN 0.352 nan 8.300 nan 0.000 0.729 592 D N 2.310 122.801 120.400 0.152 0.000 2.530 592 D HA 0.220 4.860 4.640 -0.000 0.000 0.282 592 D C 1.420 177.782 176.300 0.104 0.000 1.204 592 D CA -0.321 53.736 54.000 0.095 0.000 1.093 592 D CB 0.349 41.178 40.800 0.049 0.000 1.154 592 D HN 0.584 nan 8.370 nan 0.000 0.593 593 E N 0.197 120.434 120.200 0.062 0.000 2.045 593 E HA -0.181 4.169 4.350 -0.000 0.000 0.212 593 E C 1.354 177.993 176.600 0.065 0.000 1.039 593 E CA 1.488 57.919 56.400 0.051 0.000 0.860 593 E CB -0.286 29.430 29.700 0.028 0.000 0.776 593 E HN 0.488 nan 8.360 nan 0.000 0.467 594 G N 0.979 109.813 108.800 0.056 0.000 3.518 594 G HA2 0.063 4.023 3.960 -0.000 0.000 0.273 594 G HA3 0.063 4.023 3.960 -0.000 0.000 0.273 594 G C -0.046 174.896 174.900 0.070 0.000 1.199 594 G CA -0.210 44.922 45.100 0.054 0.000 0.899 594 G HN 0.043 nan 8.290 nan 0.000 0.533 595 T N 0.973 115.605 114.554 0.131 0.000 2.856 595 T HA 0.423 4.773 4.350 -0.000 0.000 0.306 595 T C 0.506 175.322 174.700 0.195 0.000 1.062 595 T CA 0.452 62.639 62.100 0.145 0.000 1.083 595 T CB 0.975 69.973 68.868 0.217 0.000 0.984 595 T HN 0.205 nan 8.240 nan 0.000 0.542 596 T N 0.445 115.044 114.554 0.074 0.000 4.024 596 T HA 0.185 4.535 4.350 -0.000 0.000 0.193 596 T C 0.167 174.826 174.700 -0.069 0.000 0.697 596 T CA -0.970 61.187 62.100 0.094 0.000 1.393 596 T CB -1.003 67.880 68.868 0.025 0.000 0.962 596 T HN 0.543 nan 8.240 nan 0.000 0.583 597 L N 1.048 122.213 121.223 -0.096 0.000 4.356 597 L HA -0.189 4.151 4.340 -0.000 0.000 0.506 597 L C 0.878 177.541 176.870 -0.345 0.000 1.022 597 L CA 0.949 55.634 54.840 -0.257 0.000 0.782 597 L CB -1.228 40.855 42.059 0.039 0.000 1.782 597 L HN 0.761 nan 8.230 nan 0.000 0.853 598 L N -1.418 119.500 121.223 -0.507 0.000 5.473 598 L HA -0.022 4.318 4.340 -0.000 0.000 0.554 598 L C 0.815 177.493 176.870 -0.320 0.000 0.724 598 L CA 0.447 55.090 54.840 -0.328 0.000 2.268 598 L CB 0.140 42.103 42.059 -0.160 0.000 1.746 598 L HN 0.375 nan 8.230 nan 0.000 0.567 599 S N 1.180 116.599 115.700 -0.468 0.000 3.649 599 S HA -0.106 4.364 4.470 -0.000 0.000 0.266 599 S C -0.992 173.523 174.600 -0.141 0.000 0.483 599 S CA -0.011 58.022 58.200 -0.278 0.000 1.677 599 S CB -0.840 62.188 63.200 -0.287 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 0.043 31.722 31.700 -0.034 0.000 0.771 601 K N -0.525 119.861 120.400 -0.023 0.000 2.437 601 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 601 K C 0.111 176.712 176.600 0.001 0.000 1.026 601 K CA -0.253 56.031 56.287 -0.006 0.000 1.153 601 K CB -0.294 32.207 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 -0.001 0.000 2.697 602 D HA -0.179 4.461 4.640 -0.000 0.000 0.235 602 D C -0.646 175.688 176.300 0.056 0.000 1.167 602 D CA 0.565 54.584 54.000 0.032 0.000 0.656 602 D CB -1.018 39.787 40.800 0.008 0.000 1.025 602 D HN 0.190 nan 8.370 nan 0.000 0.419 603 N N -0.466 118.278 118.700 0.075 0.000 2.538 603 N HA 0.694 5.434 4.740 -0.000 0.000 0.292 603 N C 1.264 176.854 175.510 0.132 0.000 1.262 603 N CA 0.591 53.686 53.050 0.075 0.000 0.976 603 N CB 0.383 38.899 38.487 0.050 0.000 1.161 603 N HN 0.388 nan 8.380 nan 0.000 0.598 604 G N 0.110 108.938 108.800 0.048 0.000 2.564 604 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.309 604 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.309 604 G C -0.316 174.476 174.900 -0.179 0.000 1.320 604 G CA 1.084 46.158 45.100 -0.043 0.000 0.941 604 G HN 0.691 nan 8.290 nan 0.000 0.543 605 M N -1.811 117.519 119.600 -0.450 0.000 2.490 605 M HA 0.721 5.201 4.480 -0.000 0.000 0.286 605 M C -2.055 173.697 176.300 -0.913 0.000 1.185 605 M CA -0.666 54.262 55.300 -0.621 0.000 0.912 605 M CB 2.008 34.416 32.600 -0.319 0.000 1.744 605 M HN 1.423 nan 8.290 nan 0.000 0.494 606 L N 5.620 126.252 121.223 -0.985 0.000 2.555 606 L HA 0.712 5.052 4.340 -0.000 0.000 0.264 606 L C -2.163 174.497 176.870 -0.350 0.000 0.972 606 L CA -0.000 54.418 54.840 -0.703 0.000 0.876 606 L CB 1.318 42.811 42.059 -0.943 0.000 1.216 606 L HN 0.744 nan 8.230 nan 0.000 0.415 607 I N 6.102 126.555 120.570 -0.194 0.000 2.389 607 I HA 0.516 4.686 4.170 -0.000 0.000 0.288 607 I C -0.621 175.475 176.117 -0.034 0.000 0.999 607 I CA -0.477 60.753 61.300 -0.117 0.000 1.129 607 I CB 1.682 39.607 38.000 -0.125 0.000 1.288 607 I HN 0.474 nan 8.210 nan 0.000 0.444 608 I N 4.934 125.500 120.570 -0.006 0.000 2.608 608 I HA 0.270 4.440 4.170 -0.000 0.000 0.295 608 I C -0.051 176.058 176.117 -0.014 0.000 1.049 608 I CA -0.569 60.786 61.300 0.092 0.000 1.063 608 I CB 1.854 39.949 38.000 0.158 0.000 1.248 608 I HN 0.585 nan 8.210 nan 0.000 0.424 609 D N 4.660 124.997 120.400 -0.105 0.000 2.701 609 D HA -0.196 4.444 4.640 -0.000 0.000 0.235 609 D C 1.026 177.255 176.300 -0.119 0.000 1.155 609 D CA 1.534 55.475 54.000 -0.099 0.000 0.649 609 D CB -0.813 40.017 40.800 0.051 0.000 1.050 609 D HN 1.139 nan 8.370 nan 0.000 0.425 610 G N -0.239 108.442 108.800 -0.198 0.000 2.283 610 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.280 610 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.280 610 G C -0.112 174.750 174.900 -0.064 0.000 1.029 610 G CA 0.628 45.654 45.100 -0.123 0.000 0.840 610 G HN 0.521 nan 8.290 nan 0.000 0.505 611 Q N -0.685 119.082 119.800 -0.054 0.000 2.292 611 Q HA 0.425 4.765 4.340 -0.000 0.000 0.270 611 Q C -0.071 175.906 176.000 -0.039 0.000 1.024 611 Q CA -0.777 55.012 55.803 -0.023 0.000 0.768 611 Q CB 1.925 30.669 28.738 0.010 0.000 1.250 611 Q HN 0.471 nan 8.270 nan 0.000 0.447 612 I N 4.731 125.272 120.570 -0.049 0.000 2.421 612 I HA 0.038 4.208 4.170 -0.000 0.000 0.291 612 I C 0.847 176.935 176.117 -0.049 0.000 1.089 612 I CA 0.243 61.496 61.300 -0.079 0.000 1.354 612 I CB 0.369 38.314 38.000 -0.092 0.000 1.413 612 I HN 0.712 nan 8.210 nan 0.000 0.513 613 I N 8.073 128.609 120.570 -0.057 0.000 2.494 613 I HA 0.013 4.183 4.170 -0.000 0.000 0.250 613 I C 0.051 176.240 176.117 0.119 0.000 1.112 613 I CA 0.617 61.935 61.300 0.030 0.000 1.438 613 I CB -0.054 37.987 38.000 0.069 0.000 1.111 613 I HN 0.546 nan 8.210 nan 0.000 0.431 614 F N 0.091 120.000 119.950 -0.067 0.000 2.688 614 F HA 0.718 5.245 4.527 -0.000 0.000 0.308 614 F C -0.629 175.105 175.800 -0.109 0.000 1.117 614 F CA -0.988 56.961 58.000 -0.084 0.000 0.976 614 F CB 0.755 39.705 39.000 -0.085 0.000 1.291 614 F HN 0.005 nan 8.300 nan 0.000 0.439 615 G N 1.564 110.464 108.800 0.167 0.000 2.885 615 G HA2 0.306 4.266 3.960 -0.000 0.000 0.685 615 G HA3 0.306 4.266 3.960 -0.000 0.000 0.685 615 G C -1.635 173.236 174.900 -0.049 0.000 1.216 615 G CA -0.649 44.475 45.100 0.040 0.000 0.790 615 G HN 1.173 nan 8.290 nan 0.000 0.631 616 V N 1.589 121.477 119.914 -0.042 0.000 2.811 616 V HA 0.366 4.486 4.120 -0.000 0.000 0.302 616 V C 1.148 177.185 176.094 -0.096 0.000 1.063 616 V CA -0.416 61.839 62.300 -0.077 0.000 1.088 616 V CB 1.618 33.402 31.823 -0.065 0.000 0.982 616 V HN 0.831 nan 8.190 nan 0.000 0.485 617 V N 5.371 125.214 119.914 -0.118 0.000 2.364 617 V HA 0.473 4.593 4.120 -0.000 0.000 0.272 617 V C 0.065 176.095 176.094 -0.107 0.000 1.036 617 V CA -0.104 62.124 62.300 -0.119 0.000 0.880 617 V CB 0.876 32.617 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 -0.087 0.000 2.350 618 E HA 0.438 4.788 4.350 -0.000 0.000 0.243 618 E C 0.782 177.348 176.600 -0.056 0.000 0.959 618 E CA -0.863 55.493 56.400 -0.072 0.000 0.883 618 E CB 0.534 30.198 29.700 -0.061 0.000 1.820 618 E HN 0.022 nan 8.360 nan 0.000 0.441 619 K N 0.210 120.586 120.400 -0.040 0.000 2.077 619 K HA -0.264 4.056 4.320 -0.000 0.000 0.213 619 K C 1.640 178.226 176.600 -0.023 0.000 1.051 619 K CA 2.364 58.636 56.287 -0.025 0.000 0.929 619 K CB -0.254 32.238 32.500 -0.013 0.000 0.715 619 K HN 0.374 nan 8.250 nan 0.000 0.451 620 K N -0.659 119.725 120.400 -0.026 0.000 2.103 620 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 620 K C 2.093 178.673 176.600 -0.035 0.000 1.048 620 K CA 1.944 58.216 56.287 -0.025 0.000 0.930 620 K CB -0.096 32.388 32.500 -0.026 0.000 0.716 620 K HN 0.223 nan 8.250 nan 0.000 0.444 621 T N -0.032 114.490 114.554 -0.053 0.000 2.814 621 T HA -0.046 4.304 4.350 -0.000 0.000 0.254 621 T C 1.796 176.456 174.700 -0.065 0.000 1.037 621 T CA 0.851 62.909 62.100 -0.069 0.000 1.143 621 T CB 0.059 68.869 68.868 -0.096 0.000 0.866 621 T HN 0.008 nan 8.240 nan 0.000 0.431 622 V N 1.067 120.941 119.914 -0.066 0.000 3.578 622 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 622 V C 1.339 177.412 176.094 -0.034 0.000 1.376 622 V CA 0.137 62.393 62.300 -0.073 0.000 1.083 622 V CB -0.548 31.219 31.823 -0.094 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 -0.016 0.000 2.527 623 G HA2 0.118 4.078 3.960 -0.000 0.000 0.279 623 G HA3 0.118 4.078 3.960 -0.000 0.000 0.279 623 G C 0.616 175.534 174.900 0.031 0.000 1.374 623 G CA 0.430 45.536 45.100 0.010 0.000 1.053 623 G HN 0.746 nan 8.290 nan 0.000 0.539 624 S N -0.874 114.850 115.700 0.040 0.000 2.577 624 S HA 0.414 4.884 4.470 -0.000 0.000 0.239 624 S C 0.648 175.271 174.600 0.039 0.000 1.236 624 S CA 0.077 58.305 58.200 0.047 0.000 1.233 624 S CB -0.438 62.786 63.200 0.040 0.000 0.908 624 S HN 0.872 nan 8.310 nan 0.000 0.493 625 S N 0.894 116.619 115.700 0.042 0.000 2.686 625 S HA 0.363 4.833 4.470 -0.000 0.000 0.270 625 S C 1.082 175.740 174.600 0.097 0.000 1.194 625 S CA -0.770 57.459 58.200 0.048 0.000 0.990 625 S CB 0.474 63.690 63.200 0.026 0.000 1.029 625 S HN 0.368 nan 8.310 nan 0.000 0.560 626 N N 0.986 119.745 118.700 0.098 0.000 2.028 626 N HA -0.090 4.650 4.740 -0.000 0.000 0.194 626 N C 1.908 177.480 175.510 0.104 0.000 1.050 626 N CA 1.737 54.887 53.050 0.165 0.000 0.848 626 N CB -1.158 37.363 38.487 0.058 0.000 1.038 626 N HN 0.828 nan 8.380 nan 0.000 0.423 627 G N 0.094 108.901 108.800 0.012 0.000 2.432 627 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.219 627 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.219 627 G C 0.758 175.661 174.900 0.004 0.000 1.135 627 G CA 0.716 45.798 45.100 -0.030 0.000 0.767 627 G HN 0.552 nan 8.290 nan 0.000 0.550 628 G N 0.045 108.866 108.800 0.036 0.000 2.884 628 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.247 628 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.247 628 G C 0.971 175.882 174.900 0.018 0.000 0.585 628 G CA 0.014 45.132 45.100 0.030 0.000 1.101 628 G HN 0.321 nan 8.290 nan 0.000 0.283 629 L N 2.196 123.400 121.223 -0.032 0.000 2.261 629 L HA -0.087 4.253 4.340 -0.000 0.000 0.216 629 L C 2.432 179.269 176.870 -0.055 0.000 1.114 629 L CA 1.569 56.373 54.840 -0.059 0.000 0.777 629 L CB -0.340 41.658 42.059 -0.102 0.000 0.910 629 L HN 0.722 nan 8.230 nan 0.000 0.440 630 I N -1.553 118.994 120.570 -0.038 0.000 2.339 630 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 630 I C 2.521 178.679 176.117 0.069 0.000 1.096 630 I CA 0.416 61.699 61.300 -0.029 0.000 1.408 630 I CB -0.553 37.443 38.000 -0.006 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 -0.003 0.000 2.319 631 H HA -0.135 4.421 4.556 -0.000 0.000 0.299 631 H C 2.260 177.591 175.328 0.004 0.000 1.092 631 H CA 1.839 57.890 56.048 0.005 0.000 1.302 631 H CB -0.108 29.655 29.762 0.002 0.000 1.373 631 H HN 0.061 nan 8.280 nan 0.000 0.497 632 V N -0.063 119.944 119.914 0.155 0.000 2.307 632 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 632 V C 2.869 179.001 176.094 0.064 0.000 1.045 632 V CA 1.445 63.789 62.300 0.074 0.000 1.024 632 V CB -0.552 31.284 31.823 0.023 0.000 0.651 632 V HN 0.225 nan 8.190 nan 0.000 0.449 633 V N -0.058 119.876 119.914 0.035 0.000 2.759 633 V HA -0.204 3.916 4.120 -0.000 0.000 0.256 633 V C 2.435 178.554 176.094 0.042 0.000 1.080 633 V CA 2.294 64.603 62.300 0.015 0.000 1.101 633 V CB -0.712 31.090 31.823 -0.035 0.000 0.698 633 V HN 0.644 nan 8.190 nan 0.000 0.477 634 T N -0.757 113.837 114.554 0.067 0.000 2.809 634 T HA -0.079 4.271 4.350 -0.000 0.000 0.260 634 T C 2.156 176.903 174.700 0.079 0.000 1.039 634 T CA 0.737 62.878 62.100 0.070 0.000 1.141 634 T CB -0.181 68.720 68.868 0.055 0.000 0.869 634 T HN 0.228 nan 8.240 nan 0.000 0.437 635 R N 0.890 121.456 120.500 0.110 0.000 2.096 635 R HA 0.017 4.357 4.340 -0.000 0.000 0.235 635 R C 2.291 178.646 176.300 0.092 0.000 1.127 635 R CA 1.241 57.411 56.100 0.117 0.000 0.968 635 R CB -0.304 30.082 30.300 0.144 0.000 0.861 635 R HN 0.408 nan 8.270 nan 0.000 0.440 636 E N 0.140 120.388 120.200 0.080 0.000 2.057 636 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 636 E C 1.484 178.124 176.600 0.066 0.000 0.969 636 E CA 0.934 57.379 56.400 0.076 0.000 0.812 636 E CB 0.259 30.003 29.700 0.074 0.000 0.777 636 E HN -0.087 nan 8.360 nan 0.000 0.455 637 K N -0.556 119.875 120.400 0.052 0.000 2.356 637 K HA 0.291 4.611 4.320 -0.000 0.000 0.195 637 K C 0.218 176.845 176.600 0.046 0.000 1.037 637 K CA 0.754 57.067 56.287 0.043 0.000 1.014 637 K CB 1.117 33.634 32.500 0.028 0.000 0.815 637 K HN 0.217 nan 8.250 nan 0.000 0.507 638 G N 1.645 110.476 108.800 0.051 0.000 2.525 638 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.685 638 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.685 638 G C -2.382 172.548 174.900 0.050 0.000 1.285 638 G CA -0.509 44.620 45.100 0.050 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 1.567 178.900 177.300 0.055 0.000 1.163 639 P CA 1.941 65.067 63.100 0.043 0.000 0.889 639 P CB 0.046 31.759 31.700 0.021 0.000 0.790 640 Q N -0.320 119.507 119.800 0.046 0.000 2.030 640 Q HA -0.109 4.231 4.340 -0.000 0.000 0.204 640 Q C 2.462 178.500 176.000 0.064 0.000 0.986 640 Q CA 1.574 57.407 55.803 0.051 0.000 0.843 640 Q CB -0.944 27.817 28.738 0.038 0.000 0.904 640 Q HN 0.084 nan 8.270 nan 0.000 0.420 641 V N 0.662 120.609 119.914 0.054 0.000 2.324 641 V HA -0.334 3.786 4.120 -0.000 0.000 0.250 641 V C 2.391 178.522 176.094 0.061 0.000 1.060 641 V CA 1.789 64.119 62.300 0.049 0.000 1.042 641 V CB -0.621 31.223 31.823 0.036 0.000 0.650 641 V HN 0.611 nan 8.190 nan 0.000 0.450 642 C N -0.012 119.333 119.300 0.075 0.000 2.446 642 C HA 0.092 4.552 4.460 -0.000 0.000 0.279 642 C C 2.985 178.118 174.990 0.238 0.000 1.366 642 C CA 0.366 59.444 59.018 0.100 0.000 1.763 642 C CB -1.282 26.523 27.740 0.107 0.000 1.929 642 C HN 0.582 nan 8.230 nan 0.000 0.509 643 A N 0.536 123.482 122.820 0.210 0.000 1.858 643 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 643 A C 2.280 180.042 177.584 0.297 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 0.113 0.000 0.827 643 A HN 0.701 nan 8.150 nan 0.000 0.443 644 K N -0.972 119.529 120.400 0.168 0.000 2.063 644 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 644 K C 1.884 178.553 176.600 0.115 0.000 1.048 644 K CA 1.414 57.778 56.287 0.129 0.000 0.928 644 K CB -0.424 32.124 32.500 0.080 0.000 0.713 644 K HN 0.368 nan 8.250 nan 0.000 0.442 645 L N 0.962 122.219 121.223 0.056 0.000 2.085 645 L HA -0.250 4.090 4.340 -0.000 0.000 0.218 645 L C 1.714 178.506 176.870 -0.131 0.000 1.080 645 L CA 1.806 56.596 54.840 -0.083 0.000 0.776 645 L CB -0.657 41.276 42.059 -0.211 0.000 0.891 645 L HN 0.090 nan 8.230 nan 0.000 0.437 646 F N -0.292 119.661 119.950 0.005 0.000 2.026 646 F HA -0.097 4.430 4.527 -0.000 0.000 0.296 646 F C 2.564 178.365 175.800 0.001 0.000 1.133 646 F CA 1.826 59.828 58.000 0.004 0.000 1.188 646 F CB -1.507 37.502 39.000 0.014 0.000 0.968 646 F HN 0.177 nan 8.300 nan 0.000 0.476 647 G N -0.071 108.858 108.800 0.216 0.000 2.491 647 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 647 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 647 G C 1.600 176.534 174.900 0.055 0.000 1.180 647 G CA 1.362 46.531 45.100 0.115 0.000 0.774 647 G HN 0.240 nan 8.290 nan 0.000 0.562 648 N N 0.946 119.674 118.700 0.047 0.000 2.005 648 N HA -0.132 4.608 4.740 -0.000 0.000 0.199 648 N C 2.272 177.771 175.510 -0.018 0.000 1.054 648 N CA 1.407 54.468 53.050 0.018 0.000 0.864 648 N CB -0.707 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 1.406 121.950 120.570 -0.044 0.000 2.181 649 I HA -0.378 3.792 4.170 -0.000 0.000 0.247 649 I C 2.327 178.413 176.117 -0.053 0.000 1.081 649 I CA 1.479 62.738 61.300 -0.069 0.000 1.340 649 I CB -0.443 37.489 38.000 -0.113 0.000 1.036 649 I HN 0.307 nan 8.210 nan 0.000 0.417 650 Q N 0.726 120.510 119.800 -0.026 0.000 1.942 650 Q HA -0.231 4.109 4.340 -0.000 0.000 0.203 650 Q C 2.297 178.241 176.000 -0.095 0.000 0.987 650 Q CA 1.561 57.346 55.803 -0.030 0.000 0.844 650 Q CB -0.222 28.524 28.738 0.013 0.000 0.911 650 Q HN 0.409 nan 8.270 nan 0.000 0.423 651 K N 0.062 120.392 120.400 -0.117 0.000 2.077 651 K HA -0.229 4.091 4.320 -0.000 0.000 0.213 651 K C 2.111 178.512 176.600 -0.331 0.000 1.051 651 K CA 1.944 58.063 56.287 -0.279 0.000 0.929 651 K CB -0.317 32.096 32.500 -0.145 0.000 0.715 651 K HN 0.052 nan 8.250 nan 0.000 0.451 652 V N 0.511 120.336 119.914 -0.148 0.000 2.229 652 V HA -0.234 3.886 4.120 -0.000 0.000 0.243 652 V C 2.286 178.386 176.094 0.011 0.000 1.042 652 V CA 1.767 64.022 62.300 -0.074 0.000 1.000 652 V CB -0.575 31.225 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 -0.000 0.000 0.248 653 V C 2.405 178.542 176.094 0.071 0.000 1.055 653 V CA 2.234 64.551 62.300 0.028 0.000 1.038 653 V CB -1.014 30.786 31.823 -0.039 0.000 0.651 653 V HN 0.552 nan 8.190 nan 0.000 0.450 654 N N -0.236 118.447 118.700 -0.028 0.000 2.043 654 N HA -0.191 4.549 4.740 -0.000 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 0.524 120.276 119.950 -0.329 0.000 2.046 655 F HA -0.228 4.299 4.527 -0.000 0.000 0.297 655 F C 2.432 178.142 175.800 -0.150 0.000 1.123 655 F CA 1.712 59.493 58.000 -0.365 0.000 1.199 655 F CB -0.769 37.894 39.000 -0.562 0.000 0.972 655 F HN 0.147 nan 8.300 nan 0.000 0.474 656 W N 0.707 121.993 121.300 -0.024 0.000 2.305 656 W HA -0.292 4.368 4.660 -0.000 0.000 0.308 656 W C 2.122 178.558 176.519 -0.139 0.000 1.226 656 W CA 2.189 59.511 57.345 -0.039 0.000 1.253 656 W CB -0.555 28.919 29.460 0.024 0.000 1.146 656 W HN 0.228 nan 8.180 nan 0.000 0.507 657 L N 0.471 121.767 121.223 0.122 0.000 2.109 657 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 657 L C 2.305 179.015 176.870 -0.268 0.000 1.086 657 L CA 1.831 56.665 54.840 -0.010 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 -0.900 120.096 121.223 -0.378 0.000 2.189 658 L HA -0.222 4.118 4.340 -0.000 0.000 0.214 658 L C 1.886 178.391 176.870 -0.609 0.000 1.097 658 L CA 1.890 56.427 54.840 -0.505 0.000 0.764 658 L CB -0.755 40.893 42.059 -0.684 0.000 0.900 658 L HN 0.422 nan 8.230 nan 0.000 0.436 659 H N -2.307 116.453 119.070 -0.517 0.000 2.705 659 H HA 0.200 4.756 4.556 -0.000 0.000 0.269 659 H C 1.463 176.480 175.328 -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 29.546 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 -0.000 0.000 0.174 660 N C 0.505 175.892 175.510 -0.206 0.000 1.037 660 N CA 0.886 53.620 53.050 -0.527 0.000 0.892 660 N CB 0.989 38.892 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 3.871 3.960 -0.000 0.000 0.685 661 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.685 661 G C -1.008 173.980 174.900 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 0.612 120.541 119.950 -0.034 0.000 2.690 662 F HA 0.720 5.247 4.527 -0.000 0.000 0.311 662 F C -0.190 175.605 175.800 -0.007 0.000 1.111 662 F CA 0.418 58.416 58.000 -0.003 0.000 1.003 662 F CB 1.509 40.521 39.000 0.020 0.000 1.283 662 F HN 1.658 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 5.391 4.470 -0.000 0.000 0.285 663 S C -1.695 172.479 174.600 -0.710 0.000 1.196 663 S CA -0.102 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 0.914 nan 8.310 nan 0.000 0.516 664 T N 0.197 114.538 114.554 -0.354 0.000 2.957 664 T HA 0.731 5.081 4.350 -0.000 0.000 0.336 664 T C -0.389 174.234 174.700 -0.129 0.000 1.462 664 T CA -0.109 61.856 62.100 -0.225 0.000 1.073 664 T CB 1.359 70.130 68.868 -0.162 0.000 1.319 664 T HN 1.244 nan 8.240 nan 0.000 0.485 665 G N 0.233 108.981 108.800 -0.088 0.000 2.721 665 G HA2 0.581 4.541 3.960 -0.000 0.000 0.296 665 G HA3 0.581 4.541 3.960 -0.000 0.000 0.296 665 G C 0.656 175.533 174.900 -0.037 0.000 1.383 665 G CA -0.822 44.243 45.100 -0.059 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 -0.026 0.000 2.163 666 I HA -0.041 4.129 4.170 -0.000 0.000 0.243 666 I C 3.001 179.112 176.117 -0.011 0.000 1.085 666 I CA 1.752 63.044 61.300 -0.014 0.000 1.347 666 I CB -0.804 37.190 38.000 -0.009 0.000 1.044 666 I HN 0.589 nan 8.210 nan 0.000 0.408 667 G N 1.100 109.892 108.800 -0.014 0.000 2.663 667 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.222 667 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.222 667 G C 1.363 176.260 174.900 -0.005 0.000 1.146 667 G CA 1.665 46.759 45.100 -0.010 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 4.578 4.640 -0.000 0.000 0.227 668 D C 2.395 178.700 176.300 0.008 0.000 0.995 668 D CA 1.511 55.510 54.000 -0.002 0.000 0.928 668 D CB -0.050 40.743 40.800 -0.012 0.000 0.887 668 D HN 0.575 nan 8.370 nan 0.000 0.529 669 T N -2.625 111.933 114.554 0.007 0.000 3.044 669 T HA 0.249 4.599 4.350 -0.000 0.000 0.260 669 T C 0.829 175.537 174.700 0.013 0.000 1.019 669 T CA -0.363 61.745 62.100 0.013 0.000 0.921 669 T CB 0.244 69.122 68.868 0.016 0.000 1.053 669 T HN -0.102 nan 8.240 nan 0.000 0.533 670 I N 2.519 123.096 120.570 0.012 0.000 2.395 670 I HA 0.599 4.769 4.170 -0.000 0.000 0.289 670 I C 0.507 176.633 176.117 0.015 0.000 1.023 670 I CA -0.870 60.437 61.300 0.012 0.000 1.350 670 I CB 1.207 39.213 38.000 0.009 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 4.662 4.320 -0.000 0.000 0.333 671 A C -0.370 177.225 177.584 0.019 0.000 1.155 671 A CA -0.651 51.397 52.037 0.019 0.000 0.814 671 A CB 0.714 19.727 19.000 0.020 0.000 1.206 671 A HN 0.696 nan 8.150 nan 0.000 0.482 672 D N 1.503 121.916 120.400 0.021 0.000 2.730 672 D HA 0.003 4.643 4.640 -0.000 0.000 0.225 672 D C 1.659 177.970 176.300 0.018 0.000 1.107 672 D CA 1.459 55.471 54.000 0.020 0.000 0.837 672 D CB 0.759 41.572 40.800 0.022 0.000 1.171 672 D HN 0.603 nan 8.370 nan 0.000 0.498 673 G N 5.005 113.814 108.800 0.016 0.000 2.529 673 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 673 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 673 G C -0.651 174.258 174.900 0.015 0.000 1.177 673 G CA 0.831 45.940 45.100 0.014 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 1.618 178.929 177.300 0.019 0.000 1.151 674 P CA 1.439 64.549 63.100 0.016 0.000 0.787 674 P CB -0.136 31.573 31.700 0.016 0.000 0.788 675 T N 0.452 115.018 114.554 0.021 0.000 2.668 675 T HA -0.075 4.275 4.350 -0.000 0.000 0.262 675 T C 1.973 176.687 174.700 0.024 0.000 1.045 675 T CA 1.324 63.439 62.100 0.025 0.000 1.152 675 T CB -0.601 68.284 68.868 0.027 0.000 0.864 675 T HN -0.040 nan 8.240 nan 0.000 0.419 676 M N 0.983 120.596 119.600 0.021 0.000 2.260 676 M HA -0.085 4.395 4.480 -0.000 0.000 0.261 676 M C 2.208 178.521 176.300 0.020 0.000 1.066 676 M CA 1.321 56.632 55.300 0.019 0.000 1.082 676 M CB -1.070 31.539 32.600 0.015 0.000 1.388 676 M HN 0.212 nan 8.290 nan 0.000 0.419 677 R N 0.308 120.819 120.500 0.019 0.000 2.061 677 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 677 R C 2.134 178.447 176.300 0.021 0.000 1.140 677 R CA 1.860 57.971 56.100 0.019 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 0.113 120.326 120.200 0.022 0.000 2.160 678 E HA -0.202 4.148 4.350 -0.000 0.000 0.195 678 E C 1.868 178.485 176.600 0.029 0.000 0.991 678 E CA 1.390 57.804 56.400 0.024 0.000 0.810 678 E CB -0.016 29.699 29.700 0.024 0.000 0.742 678 E HN 0.440 nan 8.360 nan 0.000 0.466 679 I N -0.060 120.529 120.570 0.032 0.000 2.162 679 I HA -0.216 3.954 4.170 -0.000 0.000 0.238 679 I C 2.456 178.597 176.117 0.040 0.000 1.076 679 I CA 1.225 62.547 61.300 0.038 0.000 1.353 679 I CB -0.558 37.463 38.000 0.034 0.000 1.063 679 I HN 0.080 nan 8.210 nan 0.000 0.408 680 T N 0.954 115.528 114.554 0.034 0.000 2.721 680 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 680 T C 1.627 176.351 174.700 0.040 0.000 1.038 680 T CA 2.099 64.221 62.100 0.038 0.000 1.145 680 T CB -0.440 68.446 68.868 0.030 0.000 0.858 680 T HN 0.609 nan 8.240 nan 0.000 0.459 681 E N 0.042 120.260 120.200 0.030 0.000 2.230 681 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 681 E C 2.077 178.690 176.600 0.022 0.000 0.987 681 E CA 0.977 57.391 56.400 0.024 0.000 0.841 681 E CB -0.523 29.186 29.700 0.017 0.000 0.783 681 E HN 0.208 nan 8.360 nan 0.000 0.481 682 T N 1.427 115.999 114.554 0.029 0.000 2.699 682 T HA -0.119 4.231 4.350 -0.000 0.000 0.268 682 T C 1.769 176.487 174.700 0.031 0.000 1.036 682 T CA 1.424 63.541 62.100 0.029 0.000 1.147 682 T CB -0.185 68.709 68.868 0.043 0.000 0.862 682 T HN 0.206 nan 8.240 nan 0.000 0.446 683 I N 0.849 121.453 120.570 0.056 0.000 2.233 683 I HA -0.114 4.056 4.170 -0.000 0.000 0.243 683 I C 2.908 179.045 176.117 0.033 0.000 1.093 683 I CA 0.918 62.266 61.300 0.080 0.000 1.380 683 I CB -0.575 37.519 38.000 0.156 0.000 1.067 683 I HN 0.173 nan 8.210 nan 0.000 0.413 684 A N 1.502 124.342 122.820 0.033 0.000 2.009 684 A HA -0.300 4.020 4.320 -0.000 0.000 0.222 684 A C 2.146 179.718 177.584 -0.020 0.000 1.175 684 A CA 2.515 54.561 52.037 0.015 0.000 0.651 684 A CB -0.836 18.175 19.000 0.017 0.000 0.815 684 A HN 0.723 nan 8.150 nan 0.000 0.459 685 E N -0.692 119.486 120.200 -0.036 0.000 2.122 685 E HA 0.201 4.551 4.350 -0.000 0.000 0.190 685 E C 2.084 178.604 176.600 -0.134 0.000 0.977 685 E CA 0.689 57.044 56.400 -0.074 0.000 0.820 685 E CB -0.486 29.173 29.700 -0.068 0.000 0.770 685 E HN 0.465 nan 8.360 nan 0.000 0.462 686 A N 2.360 125.105 122.820 -0.125 0.000 1.883 686 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 686 A C 2.180 179.637 177.584 -0.212 0.000 1.186 686 A CA 1.831 53.751 52.037 -0.194 0.000 0.624 686 A CB -0.478 18.440 19.000 -0.137 0.000 0.822 686 A HN 0.124 nan 8.150 nan 0.000 0.444 687 K N -0.322 119.993 120.400 -0.142 0.000 2.063 687 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 687 K C 2.096 178.642 176.600 -0.090 0.000 1.048 687 K CA 1.775 57.996 56.287 -0.109 0.000 0.928 687 K CB -0.205 32.272 32.500 -0.039 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 -0.092 0.000 2.097 688 K HA -0.134 4.185 4.320 -0.000 0.000 0.206 688 K C 2.041 178.565 176.600 -0.127 0.000 1.049 688 K CA 1.249 57.488 56.287 -0.080 0.000 0.933 688 K CB 0.025 32.483 32.500 -0.070 0.000 0.717 688 K HN 0.098 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 4.202 4.320 -0.000 0.000 0.209 689 K C 2.105 178.557 176.600 -0.247 0.000 1.048 689 K CA 1.429 57.459 56.287 -0.428 0.000 0.930 689 K CB -0.272 31.626 32.500 -1.002 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 -0.272 3.848 4.120 -0.000 0.000 0.249 690 V C 2.288 178.435 176.094 0.089 0.000 1.057 690 V CA 1.705 64.043 62.300 0.064 0.000 1.032 690 V CB -0.534 31.299 31.823 0.016 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 -0.000 0.000 0.210 691 L C 1.977 178.891 176.870 0.074 0.000 1.073 691 L CA 2.169 57.049 54.840 0.066 0.000 0.748 691 L CB -1.119 40.960 42.059 0.032 0.000 0.891 691 L HN 0.298 nan 8.230 nan 0.000 0.431 692 D N -1.031 119.390 120.400 0.035 0.000 2.264 692 D HA -0.109 4.531 4.640 -0.000 0.000 0.208 692 D C 2.254 178.610 176.300 0.093 0.000 0.966 692 D CA 1.239 55.264 54.000 0.042 0.000 0.864 692 D CB 0.009 40.809 40.800 0.000 0.000 0.933 692 D HN 0.301 nan 8.370 nan 0.000 0.499 693 V N 0.363 120.365 119.914 0.147 0.000 2.273 693 V HA -0.191 3.929 4.120 -0.000 0.000 0.242 693 V C 2.442 178.697 176.094 0.267 0.000 1.035 693 V CA 1.718 64.147 62.300 0.215 0.000 1.013 693 V CB -0.945 31.029 31.823 0.251 0.000 0.652 693 V HN 0.169 nan 8.190 nan 0.000 0.452 694 T N 0.157 114.921 114.554 0.349 0.000 2.620 694 T HA -0.331 4.019 4.350 -0.000 0.000 0.267 694 T C 1.927 176.700 174.700 0.121 0.000 1.044 694 T CA 2.205 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 0.518 120.976 120.400 0.097 0.000 2.097 695 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 695 K C 2.457 179.084 176.600 0.045 0.000 1.049 695 K CA 1.335 57.654 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 0.489 nan 8.250 nan 0.000 0.442 696 E N 0.758 120.999 120.200 0.069 0.000 2.012 696 E HA -0.248 4.102 4.350 -0.000 0.000 0.197 696 E C 2.016 178.643 176.600 0.046 0.000 1.007 696 E CA 1.332 57.769 56.400 0.060 0.000 0.816 696 E CB -0.131 29.619 29.700 0.082 0.000 0.762 696 E HN 0.305 nan 8.360 nan 0.000 0.451 697 A N 0.924 123.784 122.820 0.067 0.000 1.927 697 A HA -0.305 4.015 4.320 -0.000 0.000 0.220 697 A C 2.060 179.610 177.584 -0.057 0.000 1.185 697 A CA 2.152 54.195 52.037 0.010 0.000 0.639 697 A CB -0.809 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 -0.965 118.795 119.800 -0.066 0.000 2.437 698 Q HA 0.086 4.426 4.340 -0.000 0.000 0.210 698 Q C 1.862 177.842 176.000 -0.034 0.000 0.972 698 Q CA 0.816 56.577 55.803 -0.070 0.000 0.903 698 Q CB -0.278 28.427 28.738 -0.056 0.000 0.967 698 Q HN 0.694 nan 8.270 nan 0.000 0.486 699 A N 0.895 123.706 122.820 -0.014 0.000 2.275 699 A HA 0.022 4.342 4.320 -0.000 0.000 0.212 699 A C 0.743 178.324 177.584 -0.005 0.000 1.201 699 A CA 0.345 52.380 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 0.437 nan 8.150 nan 0.000 0.492 700 N N -1.842 116.851 118.700 -0.012 0.000 2.828 700 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 700 N C 0.551 176.062 175.510 0.002 0.000 1.044 700 N CA 1.241 54.285 53.050 -0.010 0.000 0.851 700 N CB -1.933 36.548 38.487 -0.011 0.000 1.136 700 N HN 0.450 nan 8.380 nan 0.000 0.572 701 L N -0.217 121.012 121.223 0.009 0.000 2.179 701 L HA 0.074 4.414 4.340 -0.000 0.000 0.208 701 L C 1.297 178.180 176.870 0.022 0.000 1.096 701 L CA 0.312 55.162 54.840 0.016 0.000 0.779 701 L CB -0.223 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 0.791 122.031 121.223 0.028 0.000 2.605 702 L HA -0.090 4.250 4.340 -0.000 0.000 0.296 702 L C 0.048 176.935 176.870 0.028 0.000 1.255 702 L CA 0.552 55.414 54.840 0.037 0.000 0.879 702 L CB 0.146 42.234 42.059 0.050 0.000 1.124 702 L HN 0.151 nan 8.230 nan 0.000 0.507 703 T N 3.177 117.750 114.554 0.031 0.000 2.770 703 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 703 T C 0.200 174.918 174.700 0.031 0.000 0.997 703 T CA -0.598 61.519 62.100 0.028 0.000 0.949 703 T CB 1.325 70.209 68.868 0.027 0.000 0.941 703 T HN 0.678 nan 8.240 nan 0.000 0.457 704 A N 4.507 127.344 122.820 0.029 0.000 2.454 704 A HA 0.361 4.681 4.320 -0.000 0.000 0.260 704 A C 0.552 178.161 177.584 0.042 0.000 1.106 704 A CA -0.429 51.626 52.037 0.029 0.000 0.780 704 A CB 0.019 19.031 19.000 0.020 0.000 1.044 704 A HN 0.820 nan 8.150 nan 0.000 0.498 705 K N 1.264 121.690 120.400 0.042 0.000 2.187 705 K HA 0.142 4.462 4.320 -0.000 0.000 0.247 705 K C 0.069 176.726 176.600 0.094 0.000 1.019 705 K CA -0.250 56.077 56.287 0.066 0.000 0.893 705 K CB 0.224 32.755 32.500 0.052 0.000 1.025 705 K HN 0.813 nan 8.250 nan 0.000 0.500 706 H N -0.542 118.536 119.070 0.013 0.000 2.790 706 H HA 0.151 4.706 4.556 -0.000 0.000 0.358 706 H C 1.226 176.562 175.328 0.013 0.000 1.103 706 H CA 1.609 57.662 56.048 0.008 0.000 1.426 706 H CB 0.599 30.364 29.762 0.005 0.000 1.424 706 H HN 0.740 nan 8.280 nan 0.000 0.599 707 G N 3.092 111.588 108.800 -0.506 0.000 2.189 707 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.267 707 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.267 707 G C 0.111 174.933 174.900 -0.131 0.000 0.975 707 G CA 0.669 45.581 45.100 -0.314 0.000 0.644 707 G HN 0.599 nan 8.290 nan 0.000 0.537 708 M N 0.877 120.428 119.600 -0.082 0.000 2.535 708 M HA 0.424 4.904 4.480 -0.000 0.000 0.314 708 M C 0.186 176.469 176.300 -0.029 0.000 1.153 708 M CA -0.601 54.676 55.300 -0.039 0.000 0.924 708 M CB 2.153 34.744 32.600 -0.016 0.000 1.710 708 M HN 0.052 nan 8.290 nan 0.000 0.451 709 T N 2.161 116.703 114.554 -0.019 0.000 2.930 709 T HA 0.138 4.488 4.350 -0.000 0.000 0.306 709 T C 1.311 176.011 174.700 0.000 0.000 1.045 709 T CA -0.530 61.563 62.100 -0.013 0.000 1.134 709 T CB 0.531 69.393 68.868 -0.010 0.000 0.961 709 T HN 0.429 nan 8.240 nan 0.000 0.545 710 L N 1.723 122.946 121.223 -0.000 0.000 2.189 710 L HA -0.070 4.270 4.340 -0.000 0.000 0.214 710 L C 2.610 179.499 176.870 0.030 0.000 1.097 710 L CA 1.587 56.435 54.840 0.013 0.000 0.764 710 L CB -0.871 41.186 42.059 -0.002 0.000 0.900 710 L HN 0.563 nan 8.230 nan 0.000 0.436 711 R N -0.318 120.185 120.500 0.004 0.000 2.062 711 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 711 R C 2.258 178.599 176.300 0.069 0.000 1.128 711 R CA 1.005 57.108 56.100 0.006 0.000 0.960 711 R CB -0.020 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 4.159 4.350 -0.000 0.000 0.193 712 E C 1.972 178.582 176.600 0.016 0.000 0.994 712 E CA 1.756 58.169 56.400 0.021 0.000 0.800 712 E CB -0.110 29.590 29.700 0.001 0.000 0.752 712 E HN 0.417 nan 8.360 nan 0.000 0.447 713 S N 1.350 117.060 115.700 0.017 0.000 2.374 713 S HA -0.244 4.226 4.470 -0.000 0.000 0.227 713 S C 1.924 176.511 174.600 -0.021 0.000 1.037 713 S CA 1.219 59.414 58.200 -0.008 0.000 1.024 713 S CB -0.813 62.391 63.200 0.007 0.000 0.861 713 S HN 0.327 nan 8.310 nan 0.000 0.456 714 F N 3.171 123.071 119.950 -0.084 0.000 2.025 714 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 714 F C 2.560 178.298 175.800 -0.103 0.000 1.132 714 F CA 2.213 60.157 58.000 -0.094 0.000 1.191 714 F CB -0.600 38.334 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 -0.000 0.000 0.202 715 E C 2.015 178.456 176.600 -0.265 0.000 1.021 715 E CA 2.043 58.337 56.400 -0.176 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 0.128 120.419 120.400 -0.181 0.000 2.149 716 D HA -0.175 4.465 4.640 -0.000 0.000 0.194 716 D C 1.705 177.822 176.300 -0.305 0.000 1.001 716 D CA 1.328 55.216 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 -0.421 0.000 2.006 717 N HA -0.148 4.592 4.740 -0.000 0.000 0.196 717 N C 2.093 177.137 175.510 -0.778 0.000 1.057 717 N CA 1.424 54.066 53.050 -0.681 0.000 0.853 717 N CB -0.808 37.269 38.487 -0.684 0.000 1.051 717 N HN 0.117 nan 8.380 nan 0.000 0.423 718 V N 1.528 121.074 119.914 -0.612 0.000 2.313 718 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 718 V C 2.518 178.486 176.094 -0.211 0.000 1.070 718 V CA 1.579 63.684 62.300 -0.324 0.000 1.057 718 V CB -0.830 30.764 31.823 -0.382 0.000 0.653 718 V HN 0.102 nan 8.190 nan 0.000 0.450 719 V N -0.513 119.266 119.914 -0.225 0.000 2.407 719 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 719 V C 2.523 178.557 176.094 -0.099 0.000 1.055 719 V CA 2.333 64.558 62.300 -0.124 0.000 1.049 719 V CB -0.843 30.918 31.823 -0.104 0.000 0.662 719 V HN 0.446 nan 8.190 nan 0.000 0.455 720 R N -0.627 119.767 120.500 -0.177 0.000 2.062 720 R HA -0.080 4.260 4.340 -0.000 0.000 0.231 720 R C 2.392 178.680 176.300 -0.020 0.000 1.136 720 R CA 1.695 57.714 56.100 -0.134 0.000 0.948 720 R CB -0.357 29.796 30.300 -0.246 0.000 0.845 720 R HN 0.492 nan 8.270 nan 0.000 0.430 721 F N 0.806 120.693 119.950 -0.105 0.000 2.091 721 F HA -0.304 4.223 4.527 -0.000 0.000 0.299 721 F C 2.253 177.978 175.800 -0.125 0.000 1.103 721 F CA 0.795 58.727 58.000 -0.113 0.000 1.228 721 F CB -0.116 38.794 39.000 -0.150 0.000 0.984 721 F HN 0.087 nan 8.300 nan 0.000 0.477 722 L N -0.558 120.686 121.223 0.035 0.000 2.109 722 L HA -0.197 4.143 4.340 -0.000 0.000 0.207 722 L C 2.159 179.078 176.870 0.081 0.000 1.086 722 L CA 0.697 55.477 54.840 -0.101 0.000 0.760 722 L CB -0.694 41.199 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 -0.000 0.000 0.191 723 N C 1.711 177.291 175.510 0.117 0.000 1.037 723 N CA 1.380 54.494 53.050 0.107 0.000 0.848 723 N CB -0.178 38.348 38.487 0.066 0.000 1.021 723 N HN 0.378 nan 8.380 nan 0.000 0.422 724 E N 1.030 121.289 120.200 0.099 0.000 2.065 724 E HA -0.211 4.139 4.350 -0.000 0.000 0.201 724 E C 2.020 178.685 176.600 0.109 0.000 1.016 724 E CA 1.395 57.853 56.400 0.098 0.000 0.818 724 E CB -0.185 29.574 29.700 0.099 0.000 0.749 724 E HN 0.358 nan 8.360 nan 0.000 0.453 725 A N 1.704 124.587 122.820 0.105 0.000 1.869 725 A HA -0.328 3.992 4.320 -0.000 0.000 0.218 725 A C 2.132 179.812 177.584 0.159 0.000 1.203 725 A CA 2.169 54.273 52.037 0.112 0.000 0.638 725 A CB -0.776 18.280 19.000 0.094 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 -0.000 0.000 0.239 726 R C 1.645 178.048 176.300 0.172 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 0.157 0.000 0.850 726 R HN 0.482 nan 8.270 nan 0.000 0.433 727 D N 0.193 120.719 120.400 0.210 0.000 2.149 727 D HA -0.175 4.465 4.640 -0.000 0.000 0.198 727 D C 1.868 178.345 176.300 0.295 0.000 0.990 727 D CA 1.827 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 0.359 120.863 120.400 0.173 0.000 2.076 728 K HA 0.162 4.482 4.320 -0.000 0.000 0.204 728 K C 2.195 178.880 176.600 0.142 0.000 1.051 728 K CA 1.045 57.411 56.287 0.131 0.000 0.949 728 K CB -0.195 32.352 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 4.255 4.320 -0.000 0.000 0.218 729 A C 2.514 180.166 177.584 0.112 0.000 1.181 729 A CA 1.885 53.981 52.037 0.098 0.000 0.627 729 A CB -1.445 17.602 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 3.716 3.960 -0.000 0.000 0.215 730 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.215 730 G C 1.751 176.888 174.900 0.395 0.000 1.201 730 G CA 0.978 46.158 45.100 0.134 0.000 0.784 730 G HN 0.562 nan 8.290 nan 0.000 0.545 731 R N -0.157 120.676 120.500 0.556 0.000 2.096 731 R HA 0.004 4.344 4.340 -0.000 0.000 0.240 731 R C 2.691 179.110 176.300 0.198 0.000 1.139 731 R CA 1.176 57.477 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 0.121 121.430 121.223 0.144 0.000 2.051 732 L HA -0.305 4.035 4.340 -0.000 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 -0.348 122.531 122.820 0.099 0.000 1.872 733 A HA -0.254 4.066 4.320 -0.000 0.000 0.214 733 A C 2.196 179.833 177.584 0.088 0.000 1.187 733 A CA 1.576 53.656 52.037 0.072 0.000 0.614 733 A CB -0.554 18.469 19.000 0.039 0.000 0.826 733 A HN 0.499 nan 8.150 nan 0.000 0.442 734 E N 0.013 120.299 120.200 0.144 0.000 2.171 734 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 734 E C 1.633 178.296 176.600 0.104 0.000 0.997 734 E CA 1.594 58.085 56.400 0.153 0.000 0.810 734 E CB -0.178 29.682 29.700 0.266 0.000 0.738 734 E HN 0.336 nan 8.360 nan 0.000 0.467 735 V N 1.498 121.465 119.914 0.088 0.000 2.453 735 V HA -0.216 3.904 4.120 -0.000 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 -0.093 4.647 4.740 -0.000 0.000 0.196 736 N C 0.842 176.378 175.510 0.043 0.000 1.057 736 N CA 0.804 53.879 53.050 0.042 0.000 0.853 736 N CB -0.632 37.878 38.487 0.038 0.000 1.051 736 N HN 0.343 nan 8.380 nan 0.000 0.423 737 L N 2.469 123.721 121.223 0.048 0.000 3.163 737 L HA -0.201 4.139 4.340 -0.000 0.000 0.327 737 L C 0.387 177.287 176.870 0.049 0.000 1.030 737 L CA 0.553 55.423 54.840 0.050 0.000 0.897 737 L CB -0.700 41.395 42.059 0.059 0.000 1.389 737 L HN 0.135 nan 8.230 nan 0.000 0.530 738 K N 2.736 123.164 120.400 0.046 0.000 2.202 738 K HA 0.086 4.406 4.320 -0.000 0.000 0.264 738 K C 0.646 177.277 176.600 0.053 0.000 1.010 738 K CA -0.863 55.451 56.287 0.045 0.000 0.940 738 K CB 0.778 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 1.290 121.720 120.400 0.051 0.000 2.315 739 D HA -0.156 4.484 4.640 -0.000 0.000 0.211 739 D C 1.436 177.779 176.300 0.071 0.000 0.977 739 D CA 1.181 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 -1.261 120.004 121.223 0.070 0.000 2.492 740 L HA 0.132 4.472 4.340 -0.000 0.000 0.223 740 L C 0.762 177.686 176.870 0.090 0.000 1.132 740 L CA 0.037 54.926 54.840 0.082 0.000 0.850 740 L CB -0.801 41.297 42.059 0.065 0.000 0.966 740 L HN -0.215 nan 8.230 nan 0.000 0.454 741 N N 1.711 120.457 118.700 0.078 0.000 2.427 741 N HA -0.039 4.701 4.740 -0.000 0.000 0.269 741 N C 0.928 176.505 175.510 0.111 0.000 1.235 741 N CA -0.107 52.986 53.050 0.072 0.000 0.934 741 N CB 0.340 38.863 38.487 0.059 0.000 1.121 741 N HN 0.211 nan 8.380 nan 0.000 0.480 742 N N 2.944 121.708 118.700 0.107 0.000 2.094 742 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 742 N C 1.391 177.035 175.510 0.223 0.000 1.023 742 N CA 1.061 54.227 53.050 0.193 0.000 0.857 742 N CB -0.238 38.189 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 0.113 0.000 2.220 743 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 743 V C 2.579 178.742 176.094 0.114 0.000 1.049 743 V CA 1.658 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 -0.000 0.000 0.208 744 K C 2.256 178.910 176.600 0.091 0.000 1.047 744 K CA 1.856 58.194 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 -0.000 0.000 0.206 745 Q C 1.977 178.014 176.000 0.062 0.000 0.980 745 Q CA 1.558 57.435 55.803 0.123 0.000 0.869 745 Q CB 0.026 28.915 28.738 0.253 0.000 0.912 745 Q HN 0.493 nan 8.270 nan 0.000 0.436 746 M N -1.088 118.577 119.600 0.109 0.000 2.357 746 M HA -0.087 4.393 4.480 -0.000 0.000 0.266 746 M C 2.148 178.468 176.300 0.034 0.000 1.095 746 M CA 0.483 55.814 55.300 0.052 0.000 1.156 746 M CB 0.210 32.889 32.600 0.131 0.000 1.365 746 M HN -0.056 nan 8.290 nan 0.000 0.447 747 V N 0.621 120.569 119.914 0.056 0.000 2.392 747 V HA -0.301 3.819 4.120 -0.000 0.000 0.249 747 V C 2.317 178.431 176.094 0.032 0.000 1.059 747 V CA 1.772 64.102 62.300 0.050 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 -0.642 118.973 119.600 0.025 0.000 2.254 748 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 748 M C 2.275 178.566 176.300 -0.014 0.000 1.066 748 M CA 1.751 57.056 55.300 0.009 0.000 1.123 748 M CB -0.343 32.262 32.600 0.008 0.000 1.388 748 M HN 0.429 nan 8.290 nan 0.000 0.425 749 A N -0.164 122.638 122.820 -0.030 0.000 1.897 749 A HA 0.193 4.513 4.320 -0.000 0.000 0.215 749 A C 1.501 179.067 177.584 -0.030 0.000 1.181 749 A CA 1.355 53.362 52.037 -0.051 0.000 0.620 749 A CB -0.773 18.177 19.000 -0.085 0.000 0.821 749 A HN 0.607 nan 8.150 nan 0.000 0.443 750 G N -0.764 108.028 108.800 -0.012 0.000 2.600 750 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.251 750 G HA3 -0.037 3.923 3.960 -0.000 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 0.001 0.000 0.994 750 G HN 1.514 nan 8.290 nan 0.000 0.511 751 S N -1.584 114.117 115.700 0.002 0.000 2.666 751 S HA 0.646 5.115 4.470 -0.000 0.000 0.239 751 S C 0.399 175.014 174.600 0.025 0.000 1.031 751 S CA 0.563 58.766 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 0.032 0.000 3.042 752 K HA 0.413 4.733 4.320 -0.000 0.000 0.351 752 K C -0.387 176.240 176.600 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 1.016 109.840 108.800 0.040 0.000 2.663 753 G HA2 0.121 4.081 3.960 -0.000 0.000 0.686 753 G HA3 0.121 4.081 3.960 -0.000 0.000 0.686 753 G C -1.005 173.926 174.900 0.052 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 -0.056 115.679 115.700 0.059 0.000 2.611 754 S HA 0.673 5.143 4.470 -0.000 0.000 0.268 754 S C 0.506 175.178 174.600 0.120 0.000 1.156 754 S CA 0.231 58.487 58.200 0.094 0.000 0.817 754 S CB 1.464 64.716 63.200 0.087 0.000 1.122 754 S HN 1.990 nan 8.310 nan 0.000 0.466 755 F N 1.698 121.662 119.950 0.025 0.000 2.037 755 F HA -0.230 4.297 4.527 -0.000 0.000 0.296 755 F C 1.985 177.803 175.800 0.030 0.000 1.132 755 F CA 2.220 60.235 58.000 0.026 0.000 1.211 755 F CB -0.502 38.511 39.000 0.021 0.000 0.951 755 F HN 0.599 nan 8.300 nan 0.000 0.503 756 I N 1.220 121.710 120.570 -0.134 0.000 2.130 756 I HA -0.468 3.702 4.170 -0.000 0.000 0.241 756 I C 2.253 178.241 176.117 -0.215 0.000 1.023 756 I CA 2.132 63.288 61.300 -0.241 0.000 1.293 756 I CB -1.441 36.549 38.000 -0.017 0.000 1.001 756 I HN 0.373 nan 8.210 nan 0.000 0.407 757 N N 0.769 119.415 118.700 -0.089 0.000 2.018 757 N HA -0.216 4.524 4.740 -0.000 0.000 0.196 757 N C 1.933 177.399 175.510 -0.073 0.000 1.043 757 N CA 1.780 54.806 53.050 -0.040 0.000 0.856 757 N CB -0.536 37.949 38.487 -0.004 0.000 1.042 757 N HN 0.414 nan 8.380 nan 0.000 0.423 758 I N 1.568 122.075 120.570 -0.106 0.000 2.069 758 I HA -0.315 3.855 4.170 -0.000 0.000 0.237 758 I C 2.492 178.500 176.117 -0.182 0.000 1.053 758 I CA 1.465 62.703 61.300 -0.103 0.000 1.311 758 I CB -0.579 37.378 38.000 -0.071 0.000 1.030 758 I HN 0.089 nan 8.210 nan 0.000 0.398 759 A N -0.101 122.468 122.820 -0.419 0.000 1.971 759 A HA -0.318 4.001 4.320 -0.000 0.000 0.222 759 A C 2.236 179.670 177.584 -0.249 0.000 1.182 759 A CA 2.185 53.946 52.037 -0.460 0.000 0.649 759 A CB -0.695 17.733 19.000 -0.953 0.000 0.818 759 A HN 0.602 nan 8.150 nan 0.000 0.458 760 Q N -1.756 117.930 119.800 -0.191 0.000 2.165 760 Q HA 0.115 4.455 4.340 -0.000 0.000 0.197 760 Q C 2.251 178.231 176.000 -0.033 0.000 0.952 760 Q CA 0.977 56.699 55.803 -0.135 0.000 0.848 760 Q CB -0.130 28.573 28.738 -0.059 0.000 0.931 760 Q HN 0.695 nan 8.270 nan 0.000 0.470 761 M N -0.080 119.562 119.600 0.071 0.000 2.213 761 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 761 M C 1.858 178.182 176.300 0.041 0.000 1.062 761 M CA 1.260 56.635 55.300 0.125 0.000 1.105 761 M CB 0.124 32.772 32.600 0.081 0.000 1.385 761 M HN 0.094 nan 8.290 nan 0.000 0.417 762 S N -0.432 115.261 115.700 -0.012 0.000 2.452 762 S HA 0.265 4.735 4.470 -0.000 0.000 0.225 762 S C 0.978 175.561 174.600 -0.028 0.000 1.057 762 S CA 0.383 58.575 58.200 -0.014 0.000 0.949 762 S CB 0.187 63.380 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 -0.054 0.000 3.687 763 A HA 0.565 4.885 4.320 -0.000 0.000 0.164 763 A C 0.355 177.884 177.584 -0.092 0.000 1.564 763 A CA -0.402 51.605 52.037 -0.049 0.000 0.896 763 A CB -0.643 18.343 19.000 -0.024 0.000 1.731 763 A HN 0.479 nan 8.150 nan 0.000 0.607 764 C N 0.217 119.466 119.300 -0.084 0.000 2.596 764 C HA 0.324 4.784 4.460 -0.000 0.000 0.414 764 C C 1.881 176.731 174.990 -0.233 0.000 1.396 764 C CA 0.156 59.081 59.018 -0.154 0.000 1.698 764 C CB -1.267 26.418 27.740 -0.092 0.000 2.572 764 C HN 0.531 nan 8.230 nan 0.000 0.604 765 V N 6.542 126.242 119.914 -0.356 0.000 2.223 765 V HA 0.254 4.374 4.120 -0.000 0.000 0.244 765 V C 1.621 177.510 176.094 -0.341 0.000 1.045 765 V CA 2.412 64.448 62.300 -0.440 0.000 1.000 765 V CB -1.214 30.216 31.823 -0.656 0.000 0.635 765 V HN 1.462 nan 8.190 nan 0.000 0.445 766 G N -1.080 107.473 108.800 -0.412 0.000 2.369 766 G HA2 0.196 4.156 3.960 -0.000 0.000 0.307 766 G HA3 0.196 4.156 3.960 -0.000 0.000 0.307 766 G C -1.304 173.464 174.900 -0.221 0.000 1.327 766 G CA -0.210 44.733 45.100 -0.262 0.000 0.963 766 G HN 0.334 nan 8.290 nan 0.000 0.590 767 Q N 0.151 119.999 119.800 0.080 0.000 2.307 767 Q HA 0.600 4.940 4.340 -0.000 0.000 0.259 767 Q C 0.344 176.378 176.000 0.056 0.000 0.998 767 Q CA -0.066 55.849 55.803 0.187 0.000 0.923 767 Q CB 1.011 29.913 28.738 0.274 0.000 1.196 767 Q HN 0.527 nan 8.270 nan 0.000 0.416 768 Q N 1.555 121.379 119.800 0.041 0.000 2.394 768 Q HA 0.517 4.857 4.340 -0.000 0.000 0.248 768 Q C -1.017 175.006 176.000 0.039 0.000 0.992 768 Q CA 0.285 56.110 55.803 0.037 0.000 0.888 768 Q CB 1.239 30.033 28.738 0.093 0.000 1.257 768 Q HN 0.777 nan 8.270 nan 0.000 0.462 769 S N -0.418 115.304 115.700 0.037 0.000 2.543 769 S HA 0.689 5.159 4.470 -0.000 0.000 0.271 769 S C -1.411 173.201 174.600 0.019 0.000 1.148 769 S CA -0.906 57.306 58.200 0.019 0.000 0.914 769 S CB 1.042 64.251 63.200 0.015 0.000 1.096 769 S HN 0.236 nan 8.310 nan 0.000 0.471 770 V N 2.722 122.640 119.914 0.006 0.000 2.444 770 V HA 0.567 4.687 4.120 -0.000 0.000 0.294 770 V C 0.185 176.279 176.094 -0.000 0.000 1.022 770 V CA -0.389 61.914 62.300 0.006 0.000 0.850 770 V CB 0.896 32.724 31.823 0.008 0.000 0.992 770 V HN 1.162 nan 8.190 nan 0.000 0.426 771 E N 3.598 123.799 120.200 0.002 0.000 2.416 771 E HA -0.251 4.099 4.350 -0.000 0.000 0.249 771 E C 1.229 177.829 176.600 -0.001 0.000 1.124 771 E CA 0.562 56.963 56.400 0.001 0.000 0.732 771 E CB -1.095 28.605 29.700 0.001 0.000 1.286 771 E HN 1.506 nan 8.360 nan 0.000 0.394 772 G N -0.085 108.716 108.800 0.001 0.000 2.186 772 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.266 772 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.266 772 G C 0.199 175.095 174.900 -0.007 0.000 0.982 772 G CA 1.354 46.453 45.100 -0.001 0.000 0.670 772 G HN 0.307 nan 8.290 nan 0.000 0.533 773 K N -0.098 120.294 120.400 -0.012 0.000 2.340 773 K HA 0.500 4.820 4.320 -0.000 0.000 0.244 773 K C 0.582 177.163 176.600 -0.031 0.000 0.973 773 K CA -1.119 55.154 56.287 -0.023 0.000 0.828 773 K CB 1.505 33.988 32.500 -0.029 0.000 1.226 773 K HN 0.359 nan 8.250 nan 0.000 0.437 774 R N 1.549 122.025 120.500 -0.041 0.000 2.543 774 R HA 0.222 4.562 4.340 -0.000 0.000 0.277 774 R C 0.286 176.519 176.300 -0.110 0.000 1.074 774 R CA -0.522 55.546 56.100 -0.054 0.000 1.076 774 R CB -0.115 30.161 30.300 -0.040 0.000 0.993 774 R HN 0.522 nan 8.270 nan 0.000 0.459 775 I N 1.725 122.212 120.570 -0.139 0.000 3.248 775 I HA -0.294 3.876 4.170 -0.000 0.000 0.344 775 I C 1.060 177.035 176.117 -0.238 0.000 1.190 775 I CA 0.753 61.928 61.300 -0.207 0.000 1.489 775 I CB -0.170 37.578 38.000 -0.420 0.000 1.285 775 I HN 0.817 nan 8.210 nan 0.000 0.516 776 A N 7.837 130.570 122.820 -0.145 0.000 2.249 776 A HA 0.500 4.820 4.320 -0.000 0.000 0.281 776 A C -0.203 177.395 177.584 0.024 0.000 1.127 776 A CA -0.392 51.561 52.037 -0.140 0.000 0.833 776 A CB 0.311 19.287 19.000 -0.040 0.000 1.140 776 A HN 0.633 nan 8.150 nan 0.000 0.502 777 F N 0.785 120.741 119.950 0.010 0.000 2.425 777 F HA 0.271 4.798 4.527 -0.000 0.000 0.354 777 F C 1.684 177.528 175.800 0.073 0.000 1.162 777 F CA -0.324 57.706 58.000 0.050 0.000 1.250 777 F CB 0.671 39.680 39.000 0.016 0.000 1.579 777 F HN 0.791 nan 8.300 nan 0.000 0.589 778 G N 2.600 111.570 108.800 0.283 0.000 2.422 778 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 778 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 778 G C 0.423 175.280 174.900 -0.071 0.000 1.140 778 G CA 0.389 45.538 45.100 0.081 0.000 0.775 778 G HN 0.291 nan 8.290 nan 0.000 0.545 779 F N -0.575 119.447 119.950 0.121 0.000 2.375 779 F HA 0.453 4.980 4.527 -0.000 0.000 0.317 779 F C 0.580 176.383 175.800 0.006 0.000 1.124 779 F CA -1.014 57.015 58.000 0.049 0.000 1.050 779 F CB 1.222 40.238 39.000 0.027 0.000 1.314 779 F HN -0.274 nan 8.300 nan 0.000 0.511 780 V N 2.322 122.335 119.914 0.164 0.000 2.425 780 V HA -0.001 4.119 4.120 -0.000 0.000 0.276 780 V C -0.150 175.885 176.094 -0.097 0.000 1.017 780 V CA 0.122 62.449 62.300 0.045 0.000 1.062 780 V CB -0.408 31.438 31.823 0.038 0.000 0.997 780 V HN 0.804 nan 8.190 nan 0.000 0.476 781 D N 2.565 122.845 120.400 -0.201 0.000 3.070 781 D HA -0.203 4.437 4.640 -0.000 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 -2.778 117.145 120.500 -0.961 0.000 2.799 782 R HA 0.674 5.014 4.340 -0.000 0.000 0.270 782 R C 0.585 176.914 176.300 0.048 0.000 1.010 782 R CA -0.839 54.853 56.100 -0.681 0.000 0.916 782 R CB 0.642 30.813 30.300 -0.215 0.000 1.228 782 R HN -0.281 nan 8.270 nan 0.000 0.469 783 T N 0.238 115.013 114.554 0.368 0.000 2.894 783 T HA 0.231 4.581 4.350 -0.000 0.000 0.258 783 T C 0.476 175.593 174.700 0.695 0.000 1.043 783 T CA 0.757 63.224 62.100 0.612 0.000 1.141 783 T CB -0.127 69.100 68.868 0.599 0.000 0.873 783 T HN 0.306 nan 8.240 nan 0.000 0.449 784 L N -0.172 121.333 121.223 0.471 0.000 2.491 784 L HA 0.360 4.700 4.340 -0.000 0.000 0.254 784 L C -2.075 174.566 176.870 -0.383 0.000 1.048 784 L CA -2.139 52.698 54.840 -0.005 0.000 0.855 784 L CB 2.206 44.342 42.059 0.128 0.000 1.466 784 L HN -0.274 nan 8.230 nan 0.000 0.409 785 P HA -0.025 nan 4.420 nan 0.000 0.249 785 P C 0.441 177.388 177.300 -0.588 0.000 1.241 785 P CA 0.867 63.548 63.100 -0.699 0.000 0.781 785 P CB -0.006 31.223 31.700 -0.786 0.000 1.088 786 H N -1.768 117.051 119.070 -0.419 0.000 2.586 786 H HA 0.264 4.820 4.556 -0.000 0.000 0.273 786 H C 0.364 175.421 175.328 -0.452 0.000 0.997 786 H CA 0.026 55.800 56.048 -0.456 0.000 1.177 786 H CB 0.125 29.528 29.762 -0.597 0.000 1.471 786 H HN 0.197 nan 8.280 nan 0.000 0.538 787 F N 0.197 120.158 119.950 0.018 0.000 2.598 787 F HA 0.340 4.867 4.527 -0.000 0.000 0.327 787 F C 0.601 176.372 175.800 -0.049 0.000 1.057 787 F CA -1.139 56.871 58.000 0.017 0.000 0.957 787 F CB 1.804 40.841 39.000 0.062 0.000 1.278 787 F HN -0.217 nan 8.300 nan 0.000 0.484 788 S N 0.786 116.599 115.700 0.187 0.000 2.610 788 S HA 0.278 4.748 4.470 -0.000 0.000 0.273 788 S C -0.287 174.300 174.600 -0.022 0.000 1.274 788 S CA -0.878 57.352 58.200 0.051 0.000 1.023 788 S CB 0.890 64.118 63.200 0.047 0.000 0.962 788 S HN 0.372 nan 8.310 nan 0.000 0.523 789 K N 1.537 121.893 120.400 -0.072 0.000 2.455 789 K HA -0.025 4.295 4.320 -0.000 0.000 0.269 789 K C -0.581 175.933 176.600 -0.144 0.000 0.972 789 K CA 0.257 56.448 56.287 -0.160 0.000 0.938 789 K CB 0.054 32.488 32.500 -0.110 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 -0.234 0.000 3.666 790 D HA -0.177 4.463 4.640 -0.000 0.000 0.220 790 D C -0.881 175.417 176.300 -0.002 0.000 1.105 790 D CA 1.200 55.167 54.000 -0.055 0.000 1.111 790 D CB -0.500 40.352 40.800 0.088 0.000 0.790 790 D HN 0.544 nan 8.370 nan 0.000 0.389 791 D N 1.552 121.909 120.400 -0.071 0.000 2.445 791 D HA 0.067 4.707 4.640 -0.000 0.000 0.236 791 D C -0.278 176.016 176.300 -0.011 0.000 1.315 791 D CA -0.486 53.517 54.000 0.005 0.000 0.924 791 D CB -0.201 40.555 40.800 -0.074 0.000 1.447 791 D HN 0.165 nan 8.370 nan 0.000 0.532 792 Y N 0.758 121.140 120.300 0.137 0.000 2.471 792 Y HA 0.100 4.650 4.550 -0.000 0.000 0.286 792 Y C 1.649 177.615 175.900 0.110 0.000 1.188 792 Y CA -0.237 57.945 58.100 0.137 0.000 1.286 792 Y CB -0.164 38.400 38.460 0.173 0.000 1.072 792 Y HN 0.220 nan 8.280 nan 0.000 0.517 793 S N 1.570 117.371 115.700 0.168 0.000 2.566 793 S HA -0.003 4.467 4.470 -0.000 0.000 0.280 793 S C -1.199 173.435 174.600 0.057 0.000 1.343 793 S CA -1.035 57.228 58.200 0.106 0.000 1.036 793 S CB 1.094 64.331 63.200 0.061 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 1.007 178.409 177.300 0.170 0.000 1.163 794 P CA 1.769 64.903 63.100 0.056 0.000 0.889 794 P CB -0.115 31.525 31.700 -0.100 0.000 0.790 795 E N 0.558 120.868 120.200 0.183 0.000 2.086 795 E HA -0.188 4.162 4.350 -0.000 0.000 0.200 795 E C 2.403 179.118 176.600 0.191 0.000 1.012 795 E CA 1.862 58.411 56.400 0.247 0.000 0.812 795 E CB -1.408 28.438 29.700 0.244 0.000 0.743 795 E HN 0.246 nan 8.360 nan 0.000 0.453 796 S N 0.036 115.628 115.700 -0.180 0.000 2.383 796 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 796 S C 1.337 175.814 174.600 -0.206 0.000 1.030 796 S CA 1.229 59.028 58.200 -0.668 0.000 1.002 796 S CB -0.038 62.693 63.200 -0.780 0.000 0.829 796 S HN 0.119 nan 8.310 nan 0.000 0.467 797 K N 0.054 120.380 120.400 -0.123 0.000 2.570 797 K HA 0.302 4.622 4.320 -0.000 0.000 0.210 797 K C 0.653 177.135 176.600 -0.198 0.000 1.048 797 K CA 0.410 56.567 56.287 -0.217 0.000 1.167 797 K CB 0.378 32.785 32.500 -0.156 0.000 0.892 797 K HN 0.486 nan 8.250 nan 0.000 0.480 798 G N 1.527 110.307 108.800 -0.033 0.000 2.138 798 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.193 798 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.193 798 G C -0.465 174.572 174.900 0.228 0.000 0.998 798 G CA -0.672 44.506 45.100 0.130 0.000 0.668 798 G HN 0.334 nan 8.290 nan 0.000 0.516 799 F N 2.432 122.444 119.950 0.102 0.000 2.368 799 F HA 0.589 5.116 4.527 -0.000 0.000 0.362 799 F C 0.483 176.328 175.800 0.075 0.000 1.137 799 F CA -1.073 56.965 58.000 0.062 0.000 1.161 799 F CB 1.135 40.163 39.000 0.047 0.000 1.265 799 F HN -0.015 nan 8.300 nan 0.000 0.530 800 V N 7.923 127.577 119.914 -0.433 0.000 2.352 800 V HA -0.002 4.118 4.120 -0.000 0.000 0.253 800 V C 1.279 176.919 176.094 -0.757 0.000 1.083 800 V CA 0.200 62.248 62.300 -0.420 0.000 0.993 800 V CB 0.489 32.111 31.823 -0.336 0.000 1.111 800 V HN 0.895 nan 8.190 nan 0.000 0.490 801 E N 4.628 124.471 120.200 -0.595 0.000 2.072 801 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 801 E C 1.097 177.543 176.600 -0.256 0.000 0.985 801 E CA 0.571 56.705 56.400 -0.444 0.000 0.801 801 E CB 0.249 29.927 29.700 -0.036 0.000 0.750 801 E HN 0.749 nan 8.360 nan 0.000 0.452 802 N N 0.804 119.390 118.700 -0.190 0.000 2.263 802 N HA -0.013 4.727 4.740 -0.000 0.000 0.239 802 N C -0.134 175.252 175.510 -0.206 0.000 1.317 802 N CA 0.689 53.655 53.050 -0.140 0.000 0.909 802 N CB 0.931 39.367 38.487 -0.085 0.000 1.171 802 N HN 0.147 nan 8.380 nan 0.000 0.492 803 S N -1.189 114.421 115.700 -0.151 0.000 2.664 803 S HA 0.334 4.803 4.470 -0.000 0.000 0.304 803 S C 0.819 175.346 174.600 -0.121 0.000 1.099 803 S CA -0.719 57.376 58.200 -0.176 0.000 1.003 803 S CB 0.598 63.751 63.200 -0.079 0.000 1.092 803 S HN 0.538 nan 8.310 nan 0.000 0.525 804 Y N -0.087 120.192 120.300 -0.035 0.000 2.403 804 Y HA -0.083 4.466 4.550 -0.000 0.000 0.291 804 Y C 2.106 178.002 175.900 -0.006 0.000 1.143 804 Y CA 0.630 58.725 58.100 -0.010 0.000 1.257 804 Y CB -0.085 38.370 38.460 -0.008 0.000 0.984 804 Y HN 0.588 nan 8.280 nan 0.000 0.550 805 L N 0.614 121.912 121.223 0.125 0.000 2.007 805 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 805 L C 2.199 179.096 176.870 0.045 0.000 1.073 805 L CA 1.695 56.576 54.840 0.070 0.000 0.744 805 L CB -0.739 41.344 42.059 0.040 0.000 0.898 805 L HN -0.021 nan 8.230 nan 0.000 0.435 806 R N 0.076 120.589 120.500 0.023 0.000 2.105 806 R HA 0.141 4.481 4.340 -0.000 0.000 0.239 806 R C 0.531 176.842 176.300 0.019 0.000 1.135 806 R CA 0.774 56.881 56.100 0.011 0.000 0.967 806 R CB -0.572 29.725 30.300 -0.006 0.000 0.861 806 R HN 0.644 nan 8.270 nan 0.000 0.442 807 G N -0.447 108.373 108.800 0.032 0.000 2.784 807 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.686 807 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.686 807 G C -0.923 173.997 174.900 0.033 0.000 1.156 807 G CA -1.062 44.069 45.100 0.051 0.000 0.757 807 G HN 0.000 nan 8.290 nan 0.000 0.642 811 Q N 1.109 120.703 119.800 -0.344 0.000 2.029 811 Q HA -0.190 4.150 4.340 -0.000 0.000 0.209 811 Q C 1.893 177.516 176.000 -0.630 0.000 0.999 811 Q CA 2.317 57.746 55.803 -0.624 0.000 0.857 811 Q CB -0.419 27.998 28.738 -0.536 0.000 0.926 811 Q HN 0.503 nan 8.270 nan 0.000 0.415 812 E N -0.288 119.803 120.200 -0.182 0.000 2.065 812 E HA -0.248 4.102 4.350 -0.000 0.000 0.201 812 E C 1.735 178.409 176.600 0.123 0.000 1.016 812 E CA 1.269 57.702 56.400 0.054 0.000 0.818 812 E CB -0.361 29.402 29.700 0.105 0.000 0.749 812 E HN 0.255 nan 8.360 nan 0.000 0.453 813 F N 1.011 120.958 119.950 -0.005 0.000 2.008 813 F HA -0.321 4.205 4.527 -0.000 0.000 0.297 813 F C 2.157 177.986 175.800 0.049 0.000 1.156 813 F CA 1.915 59.941 58.000 0.043 0.000 1.191 813 F CB -0.823 38.183 39.000 0.010 0.000 0.955 813 F HN -0.016 nan 8.300 nan 0.000 0.497 814 F N 0.310 120.252 119.950 -0.012 0.000 2.063 814 F HA -0.339 4.188 4.527 -0.000 0.000 0.298 814 F C 2.244 178.075 175.800 0.053 0.000 1.105 814 F CA 2.166 60.130 58.000 -0.060 0.000 1.215 814 F CB -0.919 38.058 39.000 -0.039 0.000 0.972 814 F HN 0.095 nan 8.300 nan 0.000 0.483 815 F N -1.298 118.802 119.950 0.250 0.000 2.010 815 F HA -0.345 4.182 4.527 -0.000 0.000 0.296 815 F C 2.684 178.516 175.800 0.053 0.000 1.146 815 F CA 1.176 59.283 58.000 0.179 0.000 1.181 815 F CB -1.179 37.953 39.000 0.220 0.000 0.965 815 F HN 0.037 nan 8.300 nan 0.000 0.480 816 H N 0.838 120.004 119.070 0.160 0.000 2.472 816 H HA -0.219 4.337 4.556 -0.000 0.000 0.296 816 H C 1.795 177.045 175.328 -0.130 0.000 1.120 816 H CA 1.251 57.300 56.048 0.003 0.000 1.250 816 H CB -0.448 29.299 29.762 -0.026 0.000 1.366 816 H HN 0.253 nan 8.280 nan 0.000 0.524 817 A N 0.198 122.821 122.820 -0.328 0.000 1.897 817 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 817 A C 2.694 180.086 177.584 -0.320 0.000 1.181 817 A CA 1.398 53.119 52.037 -0.527 0.000 0.620 817 A CB -0.601 17.942 19.000 -0.761 0.000 0.821 817 A HN 0.479 nan 8.150 nan 0.000 0.443 818 M N -0.443 119.027 119.600 -0.217 0.000 2.065 818 M HA -0.149 4.331 4.480 -0.000 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 -0.101 0.000 1.110 818 M CB -0.698 31.926 32.600 0.041 0.000 1.328 818 M HN 0.513 nan 8.290 nan 0.000 0.405 819 G N -0.376 108.430 108.800 0.010 0.000 2.421 819 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.216 819 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.216 819 G C 1.491 176.392 174.900 0.001 0.000 1.171 819 G CA 0.950 46.070 45.100 0.033 0.000 0.775 819 G HN 0.570 nan 8.290 nan 0.000 0.543 820 G N 0.896 109.671 108.800 -0.041 0.000 2.529 820 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.219 820 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.219 820 G C 1.846 176.696 174.900 -0.083 0.000 1.177 820 G CA 1.510 46.552 45.100 -0.096 0.000 0.773 820 G HN 0.501 nan 8.290 nan 0.000 0.573 821 R N 0.763 121.200 120.500 -0.106 0.000 2.082 821 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 821 R C 2.489 178.761 176.300 -0.046 0.000 1.136 821 R CA 2.150 58.202 56.100 -0.081 0.000 0.935 821 R CB -0.838 29.407 30.300 -0.091 0.000 0.842 821 R HN 0.529 nan 8.270 nan 0.000 0.430 822 E N -1.045 119.136 120.200 -0.032 0.000 2.164 822 E HA -0.238 4.112 4.350 -0.000 0.000 0.206 822 E C 1.725 178.316 176.600 -0.014 0.000 1.032 822 E CA 1.902 58.293 56.400 -0.016 0.000 0.832 822 E CB -0.632 29.065 29.700 -0.004 0.000 0.742 822 E HN 0.545 nan 8.360 nan 0.000 0.460 823 G N 1.119 109.911 108.800 -0.014 0.000 2.484 823 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.215 823 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.215 823 G C 1.583 176.473 174.900 -0.017 0.000 1.219 823 G CA 0.970 46.064 45.100 -0.010 0.000 0.791 823 G HN 0.276 nan 8.290 nan 0.000 0.550 824 L N 0.250 121.457 121.223 -0.027 0.000 2.137 824 L HA -0.149 4.191 4.340 -0.000 0.000 0.213 824 L C 2.876 179.731 176.870 -0.025 0.000 1.085 824 L CA 0.848 55.670 54.840 -0.029 0.000 0.760 824 L CB -0.416 41.619 42.059 -0.039 0.000 0.893 824 L HN 0.301 nan 8.230 nan 0.000 0.434 825 I N 0.373 120.929 120.570 -0.023 0.000 2.130 825 I HA -0.276 3.894 4.170 -0.000 0.000 0.234 825 I C 2.077 178.184 176.117 -0.016 0.000 1.067 825 I CA 1.606 62.894 61.300 -0.020 0.000 1.339 825 I CB -0.650 37.339 38.000 -0.018 0.000 1.073 825 I HN 0.328 nan 8.210 nan 0.000 0.405 826 D N 0.072 120.464 120.400 -0.013 0.000 2.354 826 D HA -0.161 4.479 4.640 -0.000 0.000 0.216 826 D C 1.744 178.036 176.300 -0.012 0.000 0.970 826 D CA 1.155 55.148 54.000 -0.011 0.000 0.905 826 D CB -0.762 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 0.010 114.556 114.554 -0.015 0.000 2.701 827 T HA -0.082 4.268 4.350 -0.000 0.000 0.263 827 T C 2.154 176.843 174.700 -0.017 0.000 1.040 827 T CA 1.715 63.805 62.100 -0.016 0.000 1.147 827 T CB -0.545 68.312 68.868 -0.018 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 -0.018 0.000 2.019 828 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 828 A C 2.508 180.081 177.584 -0.018 0.000 1.164 828 A CA 1.209 53.235 52.037 -0.019 0.000 0.644 828 A CB -0.801 18.187 19.000 -0.019 0.000 0.805 828 A HN 0.365 nan 8.150 nan 0.000 0.449 829 V N -0.437 119.467 119.914 -0.017 0.000 2.273 829 V HA -0.131 3.989 4.120 -0.000 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 31.253 31.823 -0.015 0.000 0.652 829 V HN 0.406 nan 8.190 nan 0.000 0.452 830 K N 0.221 120.615 120.400 -0.010 0.000 2.520 830 K HA -0.146 4.174 4.320 -0.000 0.000 0.198 830 K C 1.878 178.472 176.600 -0.009 0.000 1.045 830 K CA 1.490 57.772 56.287 -0.008 0.000 0.934 830 K CB -0.547 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 -1.162 113.385 114.554 -0.011 0.000 2.925 831 T HA 0.111 4.461 4.350 -0.000 0.000 0.245 831 T C 1.747 176.445 174.700 -0.003 0.000 1.025 831 T CA 0.778 62.871 62.100 -0.012 0.000 1.149 831 T CB -0.079 68.779 68.868 -0.017 0.000 0.866 831 T HN 0.255 nan 8.240 nan 0.000 0.437 832 A N 1.604 124.421 122.820 -0.005 0.000 1.855 832 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 832 A C 2.134 179.731 177.584 0.022 0.000 1.191 832 A CA 1.670 53.706 52.037 -0.001 0.000 0.613 832 A CB -0.714 18.271 19.000 -0.025 0.000 0.829 832 A HN 0.512 nan 8.150 nan 0.000 0.442 833 E N -1.009 119.197 120.200 0.010 0.000 2.114 833 E HA -0.187 4.163 4.350 -0.000 0.000 0.199 833 E C 2.076 178.730 176.600 0.089 0.000 1.008 833 E CA 1.875 58.298 56.400 0.039 0.000 0.810 833 E CB -0.166 29.546 29.700 0.020 0.000 0.739 833 E HN 0.612 nan 8.360 nan 0.000 0.456 834 T N -0.627 113.956 114.554 0.049 0.000 2.777 834 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 834 T C 1.733 176.463 174.700 0.049 0.000 1.040 834 T CA 1.026 63.149 62.100 0.037 0.000 1.141 834 T CB -0.492 68.376 68.868 0.001 0.000 0.868 834 T HN 0.383 nan 8.240 nan 0.000 0.444 835 G N 0.026 108.857 108.800 0.051 0.000 2.469 835 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.220 835 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.220 835 G C 1.370 176.335 174.900 0.108 0.000 1.136 835 G CA 0.862 45.994 45.100 0.053 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 -0.007 0.000 2.133 836 Y HA -0.036 4.514 4.550 -0.000 0.000 0.287 836 Y C 2.704 178.623 175.900 0.031 0.000 1.134 836 Y CA 1.188 59.294 58.100 0.009 0.000 1.133 836 Y CB -0.287 38.177 38.460 0.007 0.000 0.987 836 Y HN 0.176 nan 8.280 nan 0.000 0.502 837 I N 0.061 120.694 120.570 0.106 0.000 2.194 837 I HA -0.367 3.803 4.170 -0.000 0.000 0.246 837 I C 2.520 178.607 176.117 -0.049 0.000 1.093 837 I CA 1.630 62.932 61.300 0.003 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 1.120 120.903 119.800 -0.029 0.000 2.234 838 Q HA -0.251 4.089 4.340 -0.000 0.000 0.206 838 Q C 2.181 178.145 176.000 -0.060 0.000 0.980 838 Q CA 1.721 57.495 55.803 -0.049 0.000 0.869 838 Q CB -0.158 28.556 28.738 -0.039 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 -0.060 0.000 2.064 839 R HA 0.026 4.365 4.340 -0.000 0.000 0.221 839 R C 2.312 178.587 176.300 -0.041 0.000 1.136 839 R CA 0.587 56.661 56.100 -0.043 0.000 0.980 839 R CB 0.010 30.294 30.300 -0.026 0.000 0.876 839 R HN 0.081 nan 8.270 nan 0.000 0.437 840 R N 0.519 120.973 120.500 -0.077 0.000 2.117 840 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 840 R C 2.335 178.500 176.300 -0.223 0.000 1.143 840 R CA 1.684 57.756 56.100 -0.047 0.000 0.968 840 R CB -0.460 29.801 30.300 -0.066 0.000 0.863 840 R HN 0.277 nan 8.270 nan 0.000 0.444 841 L N -0.141 120.976 121.223 -0.177 0.000 2.027 841 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 841 L C 2.375 179.106 176.870 -0.232 0.000 1.074 841 L CA 1.006 55.723 54.840 -0.204 0.000 0.745 841 L CB -0.436 41.543 42.059 -0.133 0.000 0.898 841 L HN 0.020 nan 8.230 nan 0.000 0.433 842 V N -0.328 119.488 119.914 -0.163 0.000 2.407 842 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 842 V C 2.585 178.574 176.094 -0.175 0.000 1.055 842 V CA 1.494 63.711 62.300 -0.139 0.000 1.049 842 V CB -0.532 31.243 31.823 -0.080 0.000 0.662 842 V HN 0.362 nan 8.190 nan 0.000 0.455 843 K N 0.286 120.562 120.400 -0.207 0.000 2.031 843 K HA 0.066 4.386 4.320 -0.000 0.000 0.205 843 K C 2.360 178.648 176.600 -0.520 0.000 1.049 843 K CA 1.431 57.580 56.287 -0.229 0.000 0.939 843 K CB -0.889 31.552 32.500 -0.097 0.000 0.717 843 K HN 0.426 nan 8.250 nan 0.000 0.438 844 A N 1.660 123.870 122.820 -1.016 0.000 1.917 844 A HA -0.161 4.159 4.320 -0.000 0.000 0.219 844 A C 2.158 179.394 177.584 -0.580 0.000 1.182 844 A CA 1.675 52.913 52.037 -1.333 0.000 0.633 844 A CB -0.591 17.677 19.000 -1.221 0.000 0.819 844 A HN 0.254 nan 8.150 nan 0.000 0.448 845 L N -2.380 118.618 121.223 -0.376 0.000 2.515 845 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 845 L C 1.991 178.761 176.870 -0.167 0.000 1.079 845 L CA 0.741 55.447 54.840 -0.223 0.000 0.857 845 L CB -0.781 41.176 42.059 -0.170 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 -0.169 0.000 2.755 846 E HA -0.376 3.974 4.350 -0.000 0.000 0.241 846 E C 1.116 177.659 176.600 -0.094 0.000 0.977 846 E CA 2.676 59.007 56.400 -0.116 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 -0.005 120.345 120.400 -0.084 0.000 2.338 847 D HA -0.038 4.602 4.640 -0.000 0.000 0.239 847 D C 0.499 176.761 176.300 -0.063 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 -0.039 0.000 0.899 847 D HN 0.241 nan 8.370 nan 0.000 0.525 848 I N 1.280 121.799 120.570 -0.085 0.000 2.395 848 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 848 I C 0.460 176.501 176.117 -0.125 0.000 1.023 848 I CA -0.480 60.769 61.300 -0.084 0.000 1.350 848 I CB 1.104 39.048 38.000 -0.093 0.000 1.409 848 I HN 0.013 nan 8.210 nan 0.000 0.507 849 M N 5.615 125.136 119.600 -0.133 0.000 2.569 849 M HA 0.473 4.953 4.480 -0.000 0.000 0.279 849 M C -1.771 174.390 176.300 -0.231 0.000 1.253 849 M CA -0.800 54.366 55.300 -0.224 0.000 0.867 849 M CB 2.271 34.715 32.600 -0.260 0.000 1.727 849 M HN 0.119 nan 8.290 nan 0.000 0.467 850 V N 4.431 124.179 119.914 -0.278 0.000 2.397 850 V HA 0.171 4.291 4.120 -0.000 0.000 0.262 850 V C 0.572 176.539 176.094 -0.212 0.000 1.047 850 V CA 0.007 62.187 62.300 -0.199 0.000 1.003 850 V CB -0.780 30.914 31.823 -0.216 0.000 1.037 850 V HN 0.748 nan 8.190 nan 0.000 0.480 851 H N 3.437 122.454 119.070 -0.088 0.000 2.598 851 H HA 0.094 4.650 4.556 -0.000 0.000 0.371 851 H C 0.470 175.758 175.328 -0.066 0.000 1.468 851 H CA 0.200 56.219 56.048 -0.048 0.000 1.454 851 H CB 0.801 30.576 29.762 0.022 0.000 1.579 851 H HN 0.573 nan 8.280 nan 0.000 0.611 852 Y N 0.318 120.720 120.300 0.171 0.000 2.632 852 Y HA -0.123 4.427 4.550 -0.000 0.000 0.301 852 Y C 1.001 176.950 175.900 0.081 0.000 1.172 852 Y CA 0.681 58.840 58.100 0.098 0.000 1.328 852 Y CB 0.062 38.578 38.460 0.093 0.000 1.016 852 Y HN 0.525 nan 8.280 nan 0.000 0.529 853 D N -2.775 117.748 120.400 0.206 0.000 2.559 853 D HA 0.036 4.676 4.640 -0.000 0.000 0.234 853 D C 0.240 176.609 176.300 0.115 0.000 1.226 853 D CA -0.184 53.902 54.000 0.144 0.000 0.830 853 D CB -0.681 40.191 40.800 0.120 0.000 1.028 853 D HN 0.025 nan 8.370 nan 0.000 0.492 854 N N -0.875 117.882 118.700 0.096 0.000 2.778 854 N HA -0.187 4.553 4.740 -0.000 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 -0.355 114.258 114.554 0.100 0.000 2.847 855 T HA 0.398 4.748 4.350 -0.000 0.000 0.279 855 T C 0.086 174.822 174.700 0.060 0.000 0.984 855 T CA 0.320 62.463 62.100 0.072 0.000 0.988 855 T CB 1.002 69.896 68.868 0.043 0.000 1.040 855 T HN 0.065 nan 8.240 nan 0.000 0.528 856 T N 3.799 118.355 114.554 0.004 0.000 3.009 856 T HA 0.473 4.823 4.350 -0.000 0.000 0.346 856 T C -0.532 174.152 174.700 -0.026 0.000 1.092 856 T CA -0.614 61.486 62.100 0.001 0.000 1.080 856 T CB 0.333 69.200 68.868 -0.001 0.000 1.037 856 T HN 0.457 nan 8.240 nan 0.000 0.487 857 R N 2.240 122.777 120.500 0.062 0.000 2.854 857 R HA 0.561 4.901 4.340 -0.000 0.000 0.271 857 R C 0.158 176.493 176.300 0.059 0.000 0.996 857 R CA -1.131 54.972 56.100 0.005 0.000 0.961 857 R CB 1.771 32.016 30.300 -0.092 0.000 1.182 857 R HN 0.658 nan 8.270 nan 0.000 0.479 858 N N -0.816 117.886 118.700 0.004 0.000 2.448 858 N HA 0.073 4.813 4.740 -0.000 0.000 0.274 858 N C 0.692 176.222 175.510 0.032 0.000 1.239 858 N CA -0.406 52.650 53.050 0.011 0.000 0.982 858 N CB 0.894 39.367 38.487 -0.023 0.000 1.199 858 N HN 0.566 nan 8.380 nan 0.000 0.576 859 S N 0.666 116.382 115.700 0.025 0.000 2.390 859 S HA -0.286 4.184 4.470 -0.000 0.000 0.234 859 S C 1.924 176.529 174.600 0.008 0.000 1.063 859 S CA 1.423 59.640 58.200 0.028 0.000 1.108 859 S CB -1.248 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 -0.000 0.000 0.212 860 L C 2.472 179.320 176.870 -0.036 0.000 1.087 860 L CA 1.231 56.061 54.840 -0.017 0.000 0.757 860 L CB -1.092 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 -0.000 0.000 0.216 861 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 861 G C 0.042 174.882 174.900 -0.099 0.000 0.994 861 G CA -0.182 44.853 45.100 -0.109 0.000 0.637 861 G HN 0.312 nan 8.290 nan 0.000 0.505 862 N N 1.489 120.149 118.700 -0.067 0.000 2.417 862 N HA 0.263 5.003 4.740 -0.000 0.000 0.272 862 N C 0.756 176.203 175.510 -0.105 0.000 1.304 862 N CA 0.311 53.320 53.050 -0.067 0.000 0.906 862 N CB 1.156 39.618 38.487 -0.043 0.000 1.135 862 N HN 0.271 nan 8.380 nan 0.000 0.483 863 V N 3.591 123.412 119.914 -0.154 0.000 2.720 863 V HA -0.077 4.043 4.120 -0.000 0.000 0.307 863 V C 1.719 177.653 176.094 -0.266 0.000 1.071 863 V CA 0.677 62.814 62.300 -0.272 0.000 1.199 863 V CB 0.178 31.706 31.823 -0.492 0.000 0.900 863 V HN 0.597 nan 8.190 nan 0.000 0.494 864 I N 2.479 122.905 120.570 -0.240 0.000 3.718 864 I HA 0.180 4.350 4.170 -0.000 0.000 0.297 864 I C 0.552 176.568 176.117 -0.168 0.000 1.220 864 I CA 0.356 61.561 61.300 -0.158 0.000 1.381 864 I CB 0.339 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 4.660 4.340 -0.000 0.000 0.270 865 Q C -0.593 175.302 176.000 -0.175 0.000 1.038 865 Q CA -0.481 55.258 55.803 -0.106 0.000 0.812 865 Q CB 2.342 31.105 28.738 0.043 0.000 1.300 865 Q HN 0.051 nan 8.270 nan 0.000 0.427 866 F N 0.978 120.961 119.950 0.055 0.000 2.502 866 F HA 0.131 4.658 4.527 -0.000 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 -1.508 119.186 120.570 0.207 0.000 2.649 867 I HA 0.084 4.254 4.170 -0.000 0.000 0.289 867 I C -1.074 175.142 176.117 0.165 0.000 1.222 867 I CA -1.275 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 5.503 125.821 120.300 0.030 0.000 2.712 868 Y HA 0.311 4.861 4.550 -0.000 0.000 0.333 868 Y C 1.391 177.303 175.900 0.020 0.000 1.225 868 Y CA 0.902 59.005 58.100 0.005 0.000 1.499 868 Y CB 0.679 39.128 38.460 -0.018 0.000 1.288 868 Y HN 0.848 nan 8.280 nan 0.000 0.575 869 G N 4.456 113.001 108.800 -0.424 0.000 2.269 869 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.277 869 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.277 869 G C 0.525 175.375 174.900 -0.084 0.000 1.008 869 G CA 0.821 45.666 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 -0.000 0.000 0.309 870 E C 0.811 177.435 176.600 0.040 0.000 0.793 870 E CA 1.597 58.036 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 0.194 4.833 4.640 -0.000 0.000 0.256 871 D C 0.982 177.280 176.300 -0.003 0.000 1.273 871 D CA 0.382 54.389 54.000 0.012 0.000 0.812 871 D CB -0.158 40.640 40.800 -0.003 0.000 1.190 871 D HN 0.219 nan 8.370 nan 0.000 0.524 872 G N 0.954 109.751 108.800 -0.004 0.000 2.379 872 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.297 872 G HA3 -0.305 3.655 3.960 -0.000 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 0.691 120.238 119.600 -0.088 0.000 2.364 873 M HA 0.420 4.899 4.480 -0.000 0.000 0.334 873 M C -0.127 176.145 176.300 -0.048 0.000 1.107 873 M CA -1.642 53.584 55.300 -0.124 0.000 0.988 873 M CB 1.480 33.970 32.600 -0.182 0.000 1.673 873 M HN 0.201 nan 8.290 nan 0.000 0.441 874 D N 3.119 123.545 120.400 0.043 0.000 2.348 874 D HA 0.217 4.857 4.640 -0.000 0.000 0.253 874 D C 0.644 176.989 176.300 0.075 0.000 1.161 874 D CA 0.279 54.359 54.000 0.133 0.000 0.876 874 D CB 1.445 42.373 40.800 0.214 0.000 1.160 874 D HN 0.804 nan 8.370 nan 0.000 0.459 875 A N 4.334 127.183 122.820 0.049 0.000 1.971 875 A HA -0.222 4.097 4.320 -0.000 0.000 0.222 875 A C 2.114 179.711 177.584 0.022 0.000 1.182 875 A CA 2.331 54.385 52.037 0.028 0.000 0.649 875 A CB -0.572 18.459 19.000 0.051 0.000 0.818 875 A HN 0.713 nan 8.150 nan 0.000 0.458 876 A N -1.613 121.174 122.820 -0.054 0.000 1.930 876 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 876 A C 1.580 179.033 177.584 -0.219 0.000 1.175 876 A CA 1.091 53.019 52.037 -0.183 0.000 0.627 876 A CB -0.668 18.129 19.000 -0.338 0.000 0.815 876 A HN 0.649 nan 8.150 nan 0.000 0.443 877 H N -0.539 118.532 119.070 0.002 0.000 2.770 877 H HA 0.401 4.957 4.556 -0.000 0.000 0.315 877 H C -0.455 174.866 175.328 -0.012 0.000 1.127 877 H CA 0.230 56.274 56.048 -0.007 0.000 1.155 877 H CB -0.470 29.258 29.762 -0.055 0.000 1.397 877 H HN 0.359 nan 8.280 nan 0.000 0.538 878 I N 0.696 121.321 120.570 0.092 0.000 2.892 878 I HA 0.281 4.451 4.170 -0.000 0.000 0.306 878 I C -0.453 175.724 176.117 0.101 0.000 1.078 878 I CA -0.788 60.559 61.300 0.078 0.000 1.032 878 I CB 2.700 40.743 38.000 0.072 0.000 1.229 878 I HN 0.091 nan 8.210 nan 0.000 0.435 879 E N 2.691 122.930 120.200 0.064 0.000 2.375 879 E HA 0.260 4.610 4.350 -0.000 0.000 0.280 879 E C -1.465 175.139 176.600 0.007 0.000 0.972 879 E CA -1.106 55.309 56.400 0.024 0.000 0.782 879 E CB 2.241 31.901 29.700 -0.067 0.000 1.229 879 E HN 0.325 nan 8.360 nan 0.000 0.439 880 K N 2.452 122.830 120.400 -0.036 0.000 2.361 880 K HA 0.023 4.343 4.320 -0.000 0.000 0.283 880 K C -0.529 176.031 176.600 -0.067 0.000 1.078 880 K CA 0.559 56.798 56.287 -0.080 0.000 1.041 880 K CB 0.302 32.707 32.500 -0.159 0.000 0.932 880 K HN 0.334 nan 8.250 nan 0.000 0.462 881 Q N 1.276 121.060 119.800 -0.026 0.000 2.297 881 Q HA 0.270 4.610 4.340 -0.000 0.000 0.268 881 Q C -0.646 175.340 176.000 -0.024 0.000 1.045 881 Q CA -0.990 54.809 55.803 -0.007 0.000 0.861 881 Q CB 2.007 30.778 28.738 0.054 0.000 1.344 881 Q HN 0.618 nan 8.270 nan 0.000 0.452 882 S N 0.983 116.671 115.700 -0.020 0.000 2.442 882 S HA 0.436 4.906 4.470 -0.000 0.000 0.297 882 S C -0.298 174.314 174.600 0.020 0.000 1.131 882 S CA -0.775 57.409 58.200 -0.026 0.000 1.092 882 S CB 0.236 63.414 63.200 -0.038 0.000 0.998 882 S HN 0.511 nan 8.310 nan 0.000 0.478 883 L N 3.864 125.105 121.223 0.030 0.000 2.401 883 L HA 0.257 4.597 4.340 -0.000 0.000 0.283 883 L C 0.578 177.484 176.870 0.061 0.000 1.151 883 L CA -0.479 54.392 54.840 0.052 0.000 0.942 883 L CB -0.078 42.010 42.059 0.049 0.000 1.283 883 L HN 0.720 nan 8.230 nan 0.000 0.442 884 D N 0.808 121.259 120.400 0.085 0.000 2.411 884 D HA -0.108 4.532 4.640 -0.000 0.000 0.226 884 D C 1.348 177.738 176.300 0.150 0.000 0.988 884 D CA 1.061 55.136 54.000 0.126 0.000 0.938 884 D CB 0.227 41.132 40.800 0.174 0.000 0.883 884 D HN 0.526 nan 8.370 nan 0.000 0.525 885 T N -0.195 114.421 114.554 0.103 0.000 3.069 885 T HA 0.195 4.545 4.350 -0.000 0.000 0.252 885 T C 2.017 176.800 174.700 0.138 0.000 1.053 885 T CA -0.251 61.916 62.100 0.111 0.000 0.964 885 T CB 0.762 69.659 68.868 0.048 0.000 1.005 885 T HN 0.165 nan 8.240 nan 0.000 0.532 886 I N 0.719 121.352 120.570 0.105 0.000 2.429 886 I HA 0.177 4.347 4.170 -0.000 0.000 0.247 886 I C 1.868 178.074 176.117 0.149 0.000 1.099 886 I CA 0.362 61.723 61.300 0.101 0.000 1.422 886 I CB -0.300 37.740 38.000 0.067 0.000 1.112 886 I HN 0.230 nan 8.210 nan 0.000 0.430 887 G N -0.170 108.705 108.800 0.124 0.000 2.525 887 G HA2 0.487 4.447 3.960 -0.000 0.000 0.287 887 G HA3 0.487 4.447 3.960 -0.000 0.000 0.287 887 G C -0.120 174.881 174.900 0.169 0.000 1.350 887 G CA 0.294 45.487 45.100 0.153 0.000 1.039 887 G HN 0.525 nan 8.290 nan 0.000 0.513 888 G N -1.470 107.420 108.800 0.150 0.000 2.722 888 G HA2 0.273 4.233 3.960 -0.000 0.000 0.686 888 G HA3 0.273 4.233 3.960 -0.000 0.000 0.686 888 G C 0.240 175.214 174.900 0.124 0.000 1.282 888 G CA 0.187 45.367 45.100 0.132 0.000 0.817 888 G HN 1.911 nan 8.290 nan 0.000 0.605 889 S N 0.503 116.259 115.700 0.094 0.000 2.572 889 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 889 S C 1.099 175.751 174.600 0.087 0.000 1.361 889 S CA 0.527 58.768 58.200 0.067 0.000 1.009 889 S CB 1.138 64.370 63.200 0.052 0.000 0.888 889 S HN 0.627 nan 8.310 nan 0.000 0.553 890 D N 1.179 121.608 120.400 0.047 0.000 2.178 890 D HA -0.077 4.563 4.640 -0.000 0.000 0.201 890 D C 2.158 178.536 176.300 0.131 0.000 0.980 890 D CA 1.537 55.568 54.000 0.052 0.000 0.842 890 D CB -0.503 40.296 40.800 -0.001 0.000 0.948 890 D HN 0.706 nan 8.370 nan 0.000 0.472 891 A N 1.182 124.060 122.820 0.097 0.000 1.898 891 A HA -0.035 4.285 4.320 -0.000 0.000 0.216 891 A C 2.333 179.986 177.584 0.114 0.000 1.181 891 A CA 1.940 54.033 52.037 0.092 0.000 0.620 891 A CB -0.514 18.520 19.000 0.057 0.000 0.819 891 A HN 0.234 nan 8.150 nan 0.000 0.442 892 A N -1.410 121.482 122.820 0.121 0.000 1.969 892 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 892 A C 2.010 179.704 177.584 0.184 0.000 1.169 892 A CA 1.372 53.480 52.037 0.119 0.000 0.635 892 A CB -0.685 18.377 19.000 0.102 0.000 0.810 892 A HN 0.707 nan 8.150 nan 0.000 0.445 893 F N 0.602 120.604 119.950 0.086 0.000 2.216 893 F HA -0.115 4.412 4.527 -0.000 0.000 0.300 893 F C 2.069 177.983 175.800 0.190 0.000 1.085 893 F CA 1.986 60.054 58.000 0.113 0.000 1.326 893 F CB 0.064 39.066 39.000 0.004 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 -0.000 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 0.284 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 0.345 120.767 120.400 0.038 0.000 2.362 895 K HA -0.190 4.129 4.320 -0.000 0.000 0.202 895 K C 2.200 178.774 176.600 -0.044 0.000 1.045 895 K CA 0.960 57.229 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 -0.610 119.874 120.500 -0.026 0.000 2.087 896 R HA -0.014 4.326 4.340 -0.000 0.000 0.213 896 R C 1.328 177.456 176.300 -0.287 0.000 1.137 896 R CA 0.724 56.729 56.100 -0.157 0.000 1.022 896 R CB 0.165 30.377 30.300 -0.145 0.000 0.920 896 R HN 0.101 nan 8.270 nan 0.000 0.451 897 Y N -0.120 120.049 120.300 -0.219 0.000 2.507 897 Y HA 0.276 4.826 4.550 -0.000 0.000 0.263 897 Y C 0.553 176.499 175.900 0.077 0.000 1.093 897 Y CA -0.282 57.721 58.100 -0.161 0.000 1.285 897 Y CB 0.073 38.284 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 4.695 4.340 -0.000 0.000 0.291 898 R C -1.433 174.853 176.300 -0.023 0.000 1.069 898 R CA -0.096 56.066 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 4.334 4.120 -0.000 0.000 0.292 899 V C -0.981 175.081 176.094 -0.052 0.000 1.021 899 V CA -0.736 61.545 62.300 -0.032 0.000 0.850 899 V CB 1.603 33.419 31.823 -0.011 0.000 1.005 899 V HN 0.781 nan 8.190 nan 0.000 0.426 900 D N 4.062 124.445 120.400 -0.029 0.000 2.483 900 D HA 0.380 5.020 4.640 -0.000 0.000 0.281 900 D C 1.223 177.517 176.300 -0.009 0.000 1.174 900 D CA -0.334 53.648 54.000 -0.029 0.000 0.938 900 D CB 0.768 41.554 40.800 -0.023 0.000 1.002 900 D HN 0.415 nan 8.370 nan 0.000 0.501 901 L N 1.311 122.524 121.223 -0.016 0.000 2.283 901 L HA -0.161 4.179 4.340 -0.000 0.000 0.217 901 L C 1.251 178.111 176.870 -0.016 0.000 1.104 901 L CA 0.894 55.724 54.840 -0.015 0.000 0.772 901 L CB -0.431 41.618 42.059 -0.018 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 -0.000 0.000 0.233 902 L C -0.275 176.584 176.870 -0.018 0.000 1.358 902 L CA -0.025 54.805 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 4.752 4.740 -0.000 0.000 0.203 903 N C 0.646 176.123 175.510 -0.054 0.000 1.410 903 N CA -0.011 53.020 53.050 -0.032 0.000 0.811 903 N CB 0.799 39.283 38.487 -0.005 0.000 1.665 903 N HN -0.076 nan 8.380 nan 0.000 0.686 904 T N 0.306 114.823 114.554 -0.062 0.000 2.751 904 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 904 T C 0.798 175.438 174.700 -0.100 0.000 1.045 904 T CA 1.650 63.710 62.100 -0.066 0.000 1.142 904 T CB -0.096 68.736 68.868 -0.060 0.000 0.851 904 T HN 0.498 nan 8.240 nan 0.000 0.474 905 D N -0.462 119.826 120.400 -0.186 0.000 2.305 905 D HA 0.003 4.643 4.640 -0.000 0.000 0.206 905 D C 0.725 176.835 176.300 -0.318 0.000 0.974 905 D CA 0.765 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 -0.175 118.877 119.070 -0.029 0.000 2.528 906 H HA 0.325 4.881 4.556 -0.000 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 -0.035 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 0.582 115.166 114.554 0.049 0.000 2.949 907 T HA 0.402 4.752 4.350 -0.000 0.000 0.287 907 T C 0.830 175.533 174.700 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 70.655 68.868 -0.006 0.000 1.135 907 T HN 0.156 nan 8.240 nan 0.000 0.532 908 L N 2.635 123.852 121.223 -0.010 0.000 2.515 908 L HA 0.142 4.482 4.340 -0.000 0.000 0.281 908 L C 1.034 177.893 176.870 -0.018 0.000 1.131 908 L CA -0.432 54.397 54.840 -0.019 0.000 0.905 908 L CB -0.298 41.744 42.059 -0.030 0.000 1.246 908 L HN 0.673 nan 8.230 nan 0.000 0.463 909 D N 6.739 127.131 120.400 -0.014 0.000 2.622 909 D HA -0.081 4.559 4.640 -0.000 0.000 0.227 909 D C -1.393 174.898 176.300 -0.015 0.000 1.159 909 D CA -0.702 53.290 54.000 -0.013 0.000 0.865 909 D CB 1.249 42.043 40.800 -0.011 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 0.907 178.201 177.300 -0.010 0.000 1.197 910 P CA 0.411 63.503 63.100 -0.013 0.000 0.765 910 P CB 0.112 31.804 31.700 -0.013 0.000 0.936 911 S N -0.799 114.896 115.700 -0.007 0.000 2.439 911 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 911 S C 1.931 176.531 174.600 -0.001 0.000 1.029 911 S CA 0.118 58.317 58.200 -0.001 0.000 0.946 911 S CB -1.212 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 0.438 121.658 121.223 -0.006 0.000 1.982 912 L HA 0.203 4.543 4.340 -0.000 0.000 0.206 912 L C 1.359 178.219 176.870 -0.017 0.000 1.078 912 L CA 0.441 55.277 54.840 -0.008 0.000 0.749 912 L CB -0.781 41.267 42.059 -0.020 0.000 0.894 912 L HN 0.307 nan 8.230 nan 0.000 0.436 913 L N 0.308 121.515 121.223 -0.026 0.000 2.453 913 L HA 0.028 4.368 4.340 -0.000 0.000 0.261 913 L C 1.185 178.040 176.870 -0.025 0.000 1.179 913 L CA 0.594 55.415 54.840 -0.033 0.000 0.813 913 L CB 0.679 42.714 42.059 -0.040 0.000 1.110 913 L HN 0.179 nan 8.230 nan 0.000 0.466 914 E N -0.045 120.138 120.200 -0.028 0.000 2.060 914 E HA -0.078 4.272 4.350 -0.000 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 -0.022 0.000 0.808 914 E CB 0.163 29.850 29.700 -0.022 0.000 0.768 914 E HN 0.804 nan 8.360 nan 0.000 0.453 915 S N -0.193 115.491 115.700 -0.026 0.000 2.768 915 S HA 0.182 4.652 4.470 -0.000 0.000 0.246 915 S C 1.423 176.009 174.600 -0.024 0.000 1.006 915 S CA -0.037 58.148 58.200 -0.025 0.000 1.075 915 S CB 0.428 63.611 63.200 -0.028 0.000 0.786 915 S HN 0.347 nan 8.310 nan 0.000 0.468 916 G N 3.214 112.001 108.800 -0.022 0.000 2.514 916 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 916 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 916 G C 1.721 176.610 174.900 -0.019 0.000 1.198 916 G CA 1.294 46.381 45.100 -0.021 0.000 0.780 916 G HN 0.768 nan 8.290 nan 0.000 0.565 917 S N 1.351 117.041 115.700 -0.017 0.000 2.371 917 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 917 S C 1.864 176.455 174.600 -0.016 0.000 1.029 917 S CA 1.484 59.675 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 0.799 120.990 120.200 -0.016 0.000 2.322 918 E HA 0.262 4.612 4.350 -0.000 0.000 0.195 918 E C 0.975 177.565 176.600 -0.017 0.000 1.198 918 E CA 0.117 56.508 56.400 -0.015 0.000 1.132 918 E CB -0.398 29.293 29.700 -0.015 0.000 1.213 918 E HN 0.649 nan 8.360 nan 0.000 0.450 919 I N -0.409 120.150 120.570 -0.018 0.000 4.398 919 I HA 0.051 4.221 4.170 -0.000 0.000 0.310 919 I C 0.860 176.966 176.117 -0.018 0.000 1.232 919 I CA -0.550 60.738 61.300 -0.020 0.000 1.312 919 I CB 0.508 38.494 38.000 -0.023 0.000 1.347 919 I HN 0.233 nan 8.210 nan 0.000 0.454 920 L N 3.328 124.540 121.223 -0.018 0.000 2.894 920 L HA -0.096 4.244 4.340 -0.000 0.000 0.286 920 L C 1.014 177.873 176.870 -0.017 0.000 1.077 920 L CA 1.381 56.210 54.840 -0.018 0.000 1.070 920 L CB -0.431 41.617 42.059 -0.019 0.000 1.470 920 L HN 0.610 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 -0.252 3.707 3.960 -0.000 0.000 0.204 921 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.204 921 G C 0.271 175.162 174.900 -0.015 0.000 1.026 921 G CA -0.005 45.085 45.100 -0.016 0.000 0.658 921 G HN 0.645 nan 8.290 nan 0.000 0.499 922 D N 1.796 122.187 120.400 -0.015 0.000 2.854 922 D HA 0.069 4.709 4.640 -0.000 0.000 0.243 922 D C 1.919 178.211 176.300 -0.013 0.000 1.243 922 D CA 0.531 54.523 54.000 -0.014 0.000 0.883 922 D CB 0.138 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 4.057 125.273 121.223 -0.011 0.000 2.156 923 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 923 L C 2.483 179.347 176.870 -0.009 0.000 1.095 923 L CA 0.772 55.605 54.840 -0.010 0.000 0.770 923 L CB -0.212 41.841 42.059 -0.009 0.000 0.914 923 L HN 0.284 nan 8.230 nan 0.000 0.439 924 K N 0.204 120.598 120.400 -0.009 0.000 2.211 924 K HA -0.081 4.239 4.320 -0.000 0.000 0.203 924 K C 2.039 178.634 176.600 -0.008 0.000 1.050 924 K CA 0.974 57.256 56.287 -0.008 0.000 0.945 924 K CB -0.023 32.472 32.500 -0.008 0.000 0.732 924 K HN 0.294 nan 8.250 nan 0.000 0.451 925 L N 0.394 121.611 121.223 -0.011 0.000 2.162 925 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 925 L C 2.463 179.328 176.870 -0.009 0.000 1.086 925 L CA 0.635 55.468 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 0.148 nan 8.230 nan 0.000 0.446 926 Q N 0.054 119.849 119.800 -0.010 0.000 2.170 926 Q HA -0.144 4.196 4.340 -0.000 0.000 0.203 926 Q C 2.340 178.339 176.000 -0.002 0.000 0.976 926 Q CA 1.212 57.009 55.803 -0.010 0.000 0.858 926 Q CB -0.319 28.410 28.738 -0.014 0.000 0.907 926 Q HN 0.353 nan 8.270 nan 0.000 0.433 927 V N 0.852 120.766 119.914 -0.001 0.000 2.469 927 V HA -0.250 3.870 4.120 -0.000 0.000 0.251 927 V C 2.285 178.386 176.094 0.012 0.000 1.064 927 V CA 1.302 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 4.298 4.340 -0.000 0.000 0.202 928 L C 2.430 179.319 176.870 0.031 0.000 1.079 928 L CA 0.887 55.736 54.840 0.016 0.000 0.755 928 L CB -0.614 41.449 42.059 0.006 0.000 0.913 928 L HN 0.208 nan 8.230 nan 0.000 0.445 929 L N 0.092 121.331 121.223 0.027 0.000 2.064 929 L HA -0.317 4.023 4.340 -0.000 0.000 0.216 929 L C 2.283 179.202 176.870 0.083 0.000 1.077 929 L CA 1.948 56.816 54.840 0.047 0.000 0.766 929 L CB -1.385 40.685 42.059 0.019 0.000 0.890 929 L HN 0.368 nan 8.230 nan 0.000 0.435 930 D N -0.156 120.275 120.400 0.053 0.000 2.092 930 D HA -0.173 4.466 4.640 -0.000 0.000 0.193 930 D C 2.215 178.579 176.300 0.107 0.000 0.994 930 D CA 1.090 55.133 54.000 0.071 0.000 0.828 930 D CB -0.028 40.791 40.800 0.032 0.000 0.963 930 D HN 0.382 nan 8.370 nan 0.000 0.450 931 E N 0.235 120.476 120.200 0.068 0.000 2.085 931 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 931 E C 1.992 178.636 176.600 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 0.423 nan 8.360 nan 0.000 0.453 932 E N 0.150 120.401 120.200 0.085 0.000 2.028 932 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 932 E C 1.978 178.652 176.600 0.124 0.000 0.988 932 E CA 0.922 57.375 56.400 0.088 0.000 0.799 932 E CB -0.269 29.485 29.700 0.089 0.000 0.755 932 E HN 0.319 nan 8.360 nan 0.000 0.447 933 Y N 1.232 121.559 120.300 0.044 0.000 2.333 933 Y HA -0.113 4.436 4.550 -0.000 0.000 0.290 933 Y C 1.999 177.945 175.900 0.078 0.000 1.144 933 Y CA 1.622 59.762 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 -0.583 119.935 120.400 0.198 0.000 2.217 934 K HA -0.186 4.134 4.320 -0.000 0.000 0.202 934 K C 2.010 178.621 176.600 0.017 0.000 1.051 934 K CA 1.109 57.463 56.287 0.111 0.000 0.952 934 K CB 0.008 32.566 32.500 0.098 0.000 0.736 934 K HN 0.247 nan 8.250 nan 0.000 0.453 935 Q N 1.203 121.009 119.800 0.009 0.000 2.033 935 Q HA -0.017 4.323 4.340 -0.000 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 -0.190 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 -0.434 120.753 121.223 -0.060 0.000 2.081 936 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 936 L C 2.189 179.057 176.870 -0.003 0.000 1.080 936 L CA 1.016 55.808 54.840 -0.080 0.000 0.754 936 L CB -0.619 41.290 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 -0.000 0.000 0.252 937 V C 2.448 178.462 176.094 -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 -0.119 120.242 120.400 -0.065 0.000 2.062 938 K HA -0.149 4.171 4.320 -0.000 0.000 0.205 938 K C 1.934 178.543 176.600 0.016 0.000 1.051 938 K CA 1.516 57.782 56.287 -0.035 0.000 0.941 938 K CB -0.217 32.259 32.500 -0.040 0.000 0.719 938 K HN 0.432 nan 8.250 nan 0.000 0.440 939 D N 0.426 120.842 120.400 0.028 0.000 2.104 939 D HA -0.182 4.458 4.640 -0.000 0.000 0.194 939 D C 1.913 178.264 176.300 0.086 0.000 0.994 939 D CA 1.056 55.126 54.000 0.116 0.000 0.830 939 D CB -0.121 40.725 40.800 0.077 0.000 0.959 939 D HN 0.138 nan 8.370 nan 0.000 0.452 940 R N 0.844 121.329 120.500 -0.026 0.000 2.096 940 R HA -0.156 4.184 4.340 -0.000 0.000 0.240 940 R C 2.109 178.373 176.300 -0.060 0.000 1.139 940 R CA 1.410 57.452 56.100 -0.096 0.000 0.952 940 R CB 0.176 30.252 30.300 -0.373 0.000 0.854 940 R HN 0.035 nan 8.270 nan 0.000 0.436 941 K N -0.011 120.354 120.400 -0.059 0.000 2.002 941 K HA -0.190 4.130 4.320 -0.000 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 31.669 32.500 -0.024 0.000 0.714 941 K HN 0.194 nan 8.250 nan 0.000 0.438 942 F N 2.604 122.512 119.950 -0.070 0.000 2.091 942 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 942 F C 2.021 177.782 175.800 -0.065 0.000 1.103 942 F CA 1.350 59.309 58.000 -0.070 0.000 1.228 942 F CB -0.514 38.447 39.000 -0.063 0.000 0.984 942 F HN -0.102 nan 8.300 nan 0.000 0.477 943 L N -0.063 121.006 121.223 -0.257 0.000 2.005 943 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 943 L C 2.657 179.436 176.870 -0.151 0.000 1.072 943 L CA 1.498 56.172 54.840 -0.278 0.000 0.744 943 L CB -0.771 41.279 42.059 -0.016 0.000 0.895 943 L HN 0.040 nan 8.230 nan 0.000 0.433 944 R N -0.035 120.440 120.500 -0.041 0.000 2.249 944 R HA -0.184 4.156 4.340 -0.000 0.000 0.230 944 R C 1.970 178.244 176.300 -0.043 0.000 1.121 944 R CA 0.993 57.115 56.100 0.037 0.000 0.997 944 R CB -0.145 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 -0.191 119.921 120.200 -0.146 0.000 2.086 945 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 945 E C 1.920 178.340 176.600 -0.299 0.000 0.975 945 E CA 0.702 57.000 56.400 -0.171 0.000 0.813 945 E CB 0.345 29.971 29.700 -0.123 0.000 0.768 945 E HN 0.050 nan 8.360 nan 0.000 0.457 946 V N 0.355 119.950 119.914 -0.531 0.000 2.255 946 V HA -0.147 3.973 4.120 -0.000 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 0.423 120.174 119.950 -0.333 0.000 2.560 947 F HA 0.324 4.850 4.527 -0.000 0.000 0.338 947 F C 1.353 177.090 175.800 -0.104 0.000 1.201 947 F CA -0.453 57.409 58.000 -0.230 0.000 1.291 947 F CB -0.301 38.571 39.000 -0.214 0.000 1.627 947 F HN -0.136 nan 8.300 nan 0.000 0.588 948 V N -0.737 119.175 119.914 -0.004 0.000 2.313 948 V HA -0.384 3.736 4.120 -0.000 0.000 0.253 948 V C 2.095 178.258 176.094 0.115 0.000 1.070 948 V CA 2.055 64.387 62.300 0.054 0.000 1.057 948 V CB -0.438 31.384 31.823 -0.003 0.000 0.653 948 V HN 0.475 nan 8.190 nan 0.000 0.450 949 D N 0.536 120.980 120.400 0.074 0.000 2.170 949 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 949 D C 1.905 178.084 176.300 -0.203 0.000 1.004 949 D CA 2.402 56.415 54.000 0.022 0.000 0.860 949 D CB -0.535 40.315 40.800 0.083 0.000 0.931 949 D HN 0.706 nan 8.370 nan 0.000 0.448 950 G N -0.078 108.539 108.800 -0.306 0.000 2.179 950 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 950 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 950 G C 0.105 174.779 174.900 -0.376 0.000 0.990 950 G CA 0.358 44.933 45.100 -0.876 0.000 0.646 950 G HN 0.386 nan 8.290 nan 0.000 0.517 951 E N 0.899 121.039 120.200 -0.100 0.000 2.351 951 E HA 0.621 4.971 4.350 -0.000 0.000 0.266 951 E C 1.074 177.688 176.600 0.024 0.000 1.031 951 E CA 0.766 57.133 56.400 -0.056 0.000 0.911 951 E CB 0.740 30.458 29.700 0.030 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 -0.138 0.000 2.390 952 A HA 0.142 4.462 4.320 -0.000 0.000 0.232 952 A C -0.123 177.350 177.584 -0.186 0.000 1.233 952 A CA -0.381 51.605 52.037 -0.085 0.000 0.907 952 A CB 0.046 19.009 19.000 -0.062 0.000 0.967 952 A HN 0.540 nan 8.150 nan 0.000 0.512 953 N N 0.446 118.836 118.700 -0.516 0.000 2.546 953 N HA 0.345 5.085 4.740 -0.000 0.000 0.238 953 N C -1.855 173.082 175.510 -0.956 0.000 0.984 953 N CA 0.127 52.852 53.050 -0.542 0.000 0.935 953 N CB 0.540 38.762 38.487 -0.442 0.000 1.122 953 N HN 0.420 nan 8.380 nan 0.000 0.510 954 W N 2.310 123.462 121.300 -0.246 0.000 2.739 954 W HA 0.359 5.019 4.660 -0.000 0.000 0.331 954 W C -2.112 174.342 176.519 -0.108 0.000 1.049 954 W CA -1.957 55.254 57.345 -0.224 0.000 1.234 954 W CB 1.465 30.710 29.460 -0.359 0.000 1.404 954 W HN 0.249 nan 8.180 nan 0.000 0.477 955 P HA 0.052 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 0.827 63.995 63.100 0.112 0.000 0.780 955 P CB 0.580 32.360 31.700 0.133 0.000 0.789 956 L N 5.988 127.284 121.223 0.121 0.000 2.422 956 L HA 0.514 4.853 4.340 -0.000 0.000 0.264 956 L C -2.253 174.657 176.870 0.067 0.000 0.984 956 L CA -2.952 51.965 54.840 0.129 0.000 0.819 956 L CB 2.849 45.054 42.059 0.243 0.000 1.330 956 L HN 0.127 nan 8.230 nan 0.000 0.410 957 P HA 0.048 nan 4.420 nan 0.000 0.269 957 P C -0.453 176.794 177.300 -0.089 0.000 1.215 957 P CA 0.154 63.160 63.100 -0.156 0.000 0.780 957 P CB 1.071 32.524 31.700 -0.410 0.000 0.898 958 V N 0.317 120.217 119.914 -0.023 0.000 3.559 958 V HA -0.199 3.921 4.120 -0.000 0.000 0.476 958 V C 0.684 176.860 176.094 0.137 0.000 0.682 958 V CA 0.199 62.547 62.300 0.080 0.000 1.988 958 V CB -1.710 30.225 31.823 0.187 0.000 2.423 958 V HN 0.897 nan 8.190 nan 0.000 0.500 959 N N 4.662 123.400 118.700 0.063 0.000 2.549 959 N HA 0.204 4.944 4.740 -0.000 0.000 0.267 959 N C 1.044 176.572 175.510 0.030 0.000 1.182 959 N CA 0.121 53.194 53.050 0.037 0.000 1.019 959 N CB 0.519 38.995 38.487 -0.017 0.000 1.380 959 N HN 0.723 nan 8.380 nan 0.000 0.505 960 I N 2.442 123.046 120.570 0.056 0.000 2.151 960 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 960 I C 2.554 178.639 176.117 -0.055 0.000 1.080 960 I CA 1.152 62.452 61.300 0.000 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 0.866 121.340 120.500 -0.042 0.000 2.134 961 R HA -0.280 4.060 4.340 -0.000 0.000 0.248 961 R C 2.470 178.722 176.300 -0.080 0.000 1.143 961 R CA 2.017 58.075 56.100 -0.070 0.000 0.957 961 R CB -0.278 30.003 30.300 -0.032 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 -0.043 0.000 2.070 962 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 962 R C 2.445 178.728 176.300 -0.028 0.000 1.138 962 R CA 2.160 58.246 56.100 -0.022 0.000 0.936 962 R CB -0.440 29.861 30.300 0.002 0.000 0.839 962 R HN 0.315 nan 8.270 nan 0.000 0.429 963 I N 0.846 121.388 120.570 -0.046 0.000 2.143 963 I HA -0.395 3.775 4.170 -0.000 0.000 0.245 963 I C 2.361 178.455 176.117 -0.038 0.000 1.068 963 I CA 1.638 62.894 61.300 -0.073 0.000 1.326 963 I CB -0.542 37.354 38.000 -0.173 0.000 1.028 963 I HN 0.272 nan 8.210 nan 0.000 0.412 964 I N 0.537 121.030 120.570 -0.128 0.000 2.099 964 I HA -0.354 3.816 4.170 -0.000 0.000 0.239 964 I C 2.757 178.810 176.117 -0.107 0.000 1.066 964 I CA 1.722 62.903 61.300 -0.198 0.000 1.324 964 I CB -0.528 37.190 38.000 -0.470 0.000 1.037 964 I HN 0.338 nan 8.210 nan 0.000 0.401 965 Q N 0.459 120.190 119.800 -0.115 0.000 2.197 965 Q HA -0.197 4.143 4.340 -0.000 0.000 0.207 965 Q C 1.323 177.229 176.000 -0.157 0.000 0.984 965 Q CA 1.242 56.974 55.803 -0.118 0.000 0.869 965 Q CB -0.454 28.221 28.738 -0.106 0.000 0.906 965 Q HN 0.541 nan 8.270 nan 0.000 0.426 966 N N -0.546 118.139 118.700 -0.025 0.000 2.434 966 N HA 0.084 4.824 4.740 -0.000 0.000 0.196 966 N C 0.488 176.177 175.510 0.298 0.000 1.183 966 N CA 0.651 53.759 53.050 0.098 0.000 0.849 966 N CB 0.670 39.316 38.487 0.266 0.000 0.992 966 N HN 0.260 nan 8.380 nan 0.000 0.460 967 A N -0.509 122.455 122.820 0.240 0.000 2.048 967 A HA 0.092 4.411 4.320 -0.000 0.000 0.197 967 A C 1.863 179.536 177.584 0.149 0.000 1.486 967 A CA -0.112 52.120 52.037 0.324 0.000 1.029 967 A CB 0.218 19.432 19.000 0.357 0.000 1.101 967 A HN -0.030 nan 8.150 nan 0.000 0.470 968 Q N 0.186 120.011 119.800 0.041 0.000 2.197 968 Q HA -0.253 4.087 4.340 -0.000 0.000 0.207 968 Q C 1.602 177.595 176.000 -0.012 0.000 0.984 968 Q CA 2.152 57.962 55.803 0.012 0.000 0.869 968 Q CB -0.113 28.626 28.738 0.003 0.000 0.906 968 Q HN 0.964 nan 8.270 nan 0.000 0.426 969 Q N -3.000 116.751 119.800 -0.082 0.000 2.140 969 Q HA 0.188 4.528 4.340 -0.000 0.000 0.227 969 Q C 1.077 176.876 176.000 -0.335 0.000 0.798 969 Q CA 0.312 56.032 55.803 -0.139 0.000 0.987 969 Q CB 0.075 28.774 28.738 -0.065 0.000 1.161 969 Q HN -0.113 nan 8.270 nan 0.000 0.480 970 T N -0.329 114.054 114.554 -0.285 0.000 3.054 970 T HA 0.198 4.548 4.350 -0.000 0.000 0.259 970 T C -0.171 174.037 174.700 -0.820 0.000 1.092 970 T CA 0.718 62.490 62.100 -0.546 0.000 1.121 970 T CB -0.055 68.424 68.868 -0.648 0.000 0.912 970 T HN 0.325 nan 8.240 nan 0.000 0.489 971 F N 0.203 119.904 119.950 -0.416 0.000 2.683 971 F HA 0.324 4.851 4.527 -0.000 0.000 0.306 971 F C 0.200 175.918 175.800 -0.137 0.000 1.102 971 F CA -0.968 56.874 58.000 -0.263 0.000 1.244 971 F CB -0.087 38.810 39.000 -0.173 0.000 1.029 971 F HN 0.098 nan 8.300 nan 0.000 0.545 972 H N 1.264 120.369 119.070 0.059 0.000 2.542 972 H HA -0.152 4.404 4.556 -0.000 0.000 0.313 972 H C 0.122 175.469 175.328 0.031 0.000 0.960 972 H CA 0.408 56.474 56.048 0.030 0.000 1.032 972 H CB -1.209 28.558 29.762 0.007 0.000 1.620 972 H HN 0.280 nan 8.280 nan 0.000 0.346 973 I N 4.209 124.825 120.570 0.075 0.000 2.301 973 I HA 0.014 4.184 4.170 -0.000 0.000 0.292 973 I C 0.708 176.757 176.117 -0.114 0.000 1.046 973 I CA -0.401 60.886 61.300 -0.021 0.000 1.282 973 I CB 0.885 38.839 38.000 -0.076 0.000 1.409 973 I HN 0.296 nan 8.210 nan 0.000 0.484 974 D N 5.967 126.325 120.400 -0.070 0.000 2.295 974 D HA 0.045 4.685 4.640 -0.000 0.000 0.248 974 D C 0.465 176.706 176.300 -0.098 0.000 1.154 974 D CA -0.358 53.610 54.000 -0.053 0.000 0.857 974 D CB 0.905 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 1.568 120.668 119.070 0.051 0.000 2.682 975 H HA 0.021 4.577 4.556 -0.000 0.000 0.293 975 H C 1.113 176.458 175.328 0.029 0.000 1.080 975 H CA 0.558 56.631 56.048 0.041 0.000 1.189 975 H CB -0.091 29.697 29.762 0.044 0.000 1.311 975 H HN 0.631 nan 8.280 nan 0.000 0.599 976 T N -3.517 111.093 114.554 0.092 0.000 3.019 976 T HA 0.152 4.502 4.350 -0.000 0.000 0.247 976 T C 0.909 175.631 174.700 0.037 0.000 0.992 976 T CA -0.218 61.920 62.100 0.063 0.000 1.036 976 T CB 1.138 70.038 68.868 0.052 0.000 1.063 976 T HN 0.020 nan 8.240 nan 0.000 0.476 977 K N 2.488 122.903 120.400 0.025 0.000 2.106 977 K HA 0.518 4.838 4.320 -0.000 0.000 0.246 977 K C -2.652 173.954 176.600 0.009 0.000 0.987 977 K CA -2.379 53.916 56.287 0.014 0.000 0.904 977 K CB 0.934 33.440 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 -0.465 176.829 177.300 -0.009 0.000 1.249 978 P CA -0.340 62.758 63.100 -0.003 0.000 0.806 978 P CB 1.450 33.147 31.700 -0.006 0.000 0.984 979 S N 0.940 116.631 115.700 -0.015 0.000 2.608 979 S HA 0.079 4.549 4.470 -0.000 0.000 0.261 979 S C 0.763 175.346 174.600 -0.028 0.000 1.314 979 S CA -0.161 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 1.344 121.725 120.400 -0.032 0.000 2.501 980 D HA 0.153 4.793 4.640 -0.000 0.000 0.226 980 D C 0.037 176.304 176.300 -0.055 0.000 1.198 980 D CA -0.216 53.764 54.000 -0.033 0.000 0.830 980 D CB -0.483 40.306 40.800 -0.018 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 -0.082 0.000 2.331 981 L HA 0.239 4.579 4.340 -0.000 0.000 0.278 981 L C 0.368 177.164 176.870 -0.124 0.000 1.106 981 L CA 0.025 54.783 54.840 -0.137 0.000 0.824 981 L CB 1.346 43.282 42.059 -0.205 0.000 1.142 981 L HN -0.157 nan 8.230 nan 0.000 0.443 982 T N 3.902 118.379 114.554 -0.129 0.000 2.845 982 T HA 0.285 4.635 4.350 -0.000 0.000 0.288 982 T C 1.663 176.291 174.700 -0.120 0.000 0.980 982 T CA -0.473 61.568 62.100 -0.099 0.000 1.071 982 T CB 1.399 70.222 68.868 -0.074 0.000 0.941 982 T HN 0.424 nan 8.240 nan 0.000 0.487 983 I N 1.853 122.369 120.570 -0.091 0.000 2.315 983 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 983 I C 2.494 178.562 176.117 -0.082 0.000 1.125 983 I CA 1.443 62.691 61.300 -0.087 0.000 1.392 983 I CB -0.189 37.777 38.000 -0.056 0.000 1.065 983 I HN 0.688 nan 8.210 nan 0.000 0.424 984 K N 0.442 120.801 120.400 -0.068 0.000 2.025 984 K HA -0.175 4.144 4.320 -0.000 0.000 0.207 984 K C 1.664 178.223 176.600 -0.069 0.000 1.049 984 K CA 1.486 57.742 56.287 -0.052 0.000 0.933 984 K CB -0.223 32.255 32.500 -0.038 0.000 0.714 984 K HN 0.270 nan 8.250 nan 0.000 0.438 985 D N 1.258 121.597 120.400 -0.102 0.000 2.156 985 D HA -0.210 4.430 4.640 -0.000 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 -0.136 0.000 0.842 985 D CB -0.579 40.103 40.800 -0.197 0.000 0.974 985 D HN 0.119 nan 8.370 nan 0.000 0.447 986 I N 0.667 121.018 120.570 -0.366 0.000 2.043 986 I HA -0.322 3.848 4.170 -0.000 0.000 0.231 986 I C 2.615 178.699 176.117 -0.054 0.000 1.024 986 I CA 1.055 62.109 61.300 -0.409 0.000 1.309 986 I CB -0.854 36.925 38.000 -0.369 0.000 1.030 986 I HN -0.092 nan 8.210 nan 0.000 0.389 987 V N 1.125 121.014 119.914 -0.042 0.000 2.252 987 V HA -0.341 3.779 4.120 -0.000 0.000 0.255 987 V C 2.399 178.508 176.094 0.025 0.000 1.071 987 V CA 2.287 64.592 62.300 0.009 0.000 1.050 987 V CB -0.768 31.053 31.823 -0.003 0.000 0.654 987 V HN 0.391 nan 8.190 nan 0.000 0.448 988 L N -0.130 121.098 121.223 0.009 0.000 2.156 988 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 988 L C 2.560 179.456 176.870 0.043 0.000 1.095 988 L CA 1.333 56.183 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 -0.344 108.502 108.800 0.077 0.000 2.414 989 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 989 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 989 G C 1.577 176.563 174.900 0.143 0.000 1.188 989 G CA 0.796 45.987 45.100 0.151 0.000 0.783 989 G HN 0.137 nan 8.290 nan 0.000 0.537 990 V N 0.963 120.988 119.914 0.184 0.000 2.282 990 V HA -0.255 3.865 4.120 -0.000 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 0.108 0.000 1.032 990 V CB -0.560 31.333 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 4.074 4.320 -0.000 0.000 0.214 991 K C 2.095 178.692 176.600 -0.004 0.000 1.049 991 K CA 2.116 58.407 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 0.008 0.000 2.149 992 D HA -0.201 4.439 4.640 -0.000 0.000 0.194 992 D C 1.916 178.207 176.300 -0.016 0.000 1.001 992 D CA 1.142 55.142 54.000 0.000 0.000 0.849 992 D CB -0.179 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 1.535 122.748 121.223 -0.016 0.000 2.051 993 L HA -0.242 4.098 4.340 -0.000 0.000 0.214 993 L C 2.023 178.851 176.870 -0.071 0.000 1.076 993 L CA 1.789 56.602 54.840 -0.046 0.000 0.758 993 L CB -0.820 41.202 42.059 -0.061 0.000 0.890 993 L HN 0.028 nan 8.230 nan 0.000 0.433 994 Q N -0.934 118.823 119.800 -0.071 0.000 2.515 994 Q HA -0.169 4.171 4.340 -0.000 0.000 0.215 994 Q C 1.651 177.602 176.000 -0.082 0.000 0.983 994 Q CA 0.999 56.748 55.803 -0.089 0.000 0.905 994 Q CB 0.001 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 -0.094 120.069 120.200 -0.062 0.000 2.340 995 E HA 0.016 4.366 4.350 -0.000 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 0.301 29.983 29.700 -0.031 0.000 0.835 995 E HN 0.344 nan 8.360 nan 0.000 0.493 996 N N 0.608 119.269 118.700 -0.065 0.000 2.279 996 N HA 0.129 4.869 4.740 -0.000 0.000 0.226 996 N C 1.440 176.893 175.510 -0.094 0.000 1.126 996 N CA 0.035 53.051 53.050 -0.058 0.000 0.846 996 N CB 0.809 39.275 38.487 -0.036 0.000 1.050 996 N HN 0.150 nan 8.380 nan 0.000 0.502 997 L N 0.179 121.287 121.223 -0.191 0.000 2.071 997 L HA 0.153 4.493 4.340 -0.000 0.000 0.201 997 L C 0.533 177.297 176.870 -0.176 0.000 1.076 997 L CA 0.515 55.098 54.840 -0.427 0.000 0.755 997 L CB -0.358 41.182 42.059 -0.864 0.000 0.915 997 L HN 0.088 nan 8.230 nan 0.000 0.445 998 L N -0.780 120.388 121.223 -0.092 0.000 0.707 998 L HA -0.260 4.080 4.340 -0.000 0.000 0.358 998 L C 0.278 177.274 176.870 0.210 0.000 1.005 998 L CA -0.126 54.746 54.840 0.055 0.000 1.219 998 L CB -0.678 41.406 42.059 0.042 0.000 0.031 998 L HN 0.022 nan 8.230 nan 0.000 0.135 999 V N 2.343 122.354 119.914 0.162 0.000 3.363 999 V HA 0.345 4.465 4.120 -0.000 0.000 0.270 999 V C 0.126 176.277 176.094 0.095 0.000 1.667 999 V CA 0.320 62.713 62.300 0.156 0.000 1.034 999 V CB 0.939 32.869 31.823 0.178 0.000 0.857 999 V HN 0.468 nan 8.190 nan 0.000 0.410 1000 L N -0.408 120.863 121.223 0.081 0.000 2.424 1000 L HA 0.594 4.934 4.340 -0.000 0.000 0.258 1000 L C 0.071 176.971 176.870 0.050 0.000 0.995 1000 L CA -0.469 54.410 54.840 0.065 0.000 0.821 1000 L CB 2.707 44.806 42.059 0.066 0.000 1.383 1000 L HN -0.093 nan 8.230 nan 0.000 0.410 1001 R N 0.078 120.604 120.500 0.045 0.000 2.616 1001 R HA 0.246 4.586 4.340 -0.000 0.000 0.427 1001 R C 0.317 176.634 176.300 0.029 0.000 1.030 1001 R CA -0.321 55.800 56.100 0.033 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 0.527 109.346 108.800 0.032 0.000 2.544 1002 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.242 1002 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.242 1002 G C 0.139 175.050 174.900 0.018 0.000 1.247 1002 G CA -0.318 44.798 45.100 0.026 0.000 0.840 1002 G HN 0.122 nan 8.290 nan 0.000 0.578 1003 K N -0.096 120.313 120.400 0.014 0.000 2.374 1003 K HA 0.034 4.354 4.320 -0.000 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 -0.622 118.083 118.700 0.007 0.000 2.434 1004 N HA -0.034 4.706 4.740 -0.000 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 0.872 39.362 38.487 0.005 0.000 1.207 1004 N HN -0.153 nan 8.380 nan 0.000 0.525 1005 E N 0.634 120.831 120.200 -0.006 0.000 2.013 1005 E HA -0.187 4.163 4.350 -0.000 0.000 0.202 1005 E C 1.435 178.025 176.600 -0.015 0.000 1.018 1005 E CA 1.762 58.155 56.400 -0.012 0.000 0.834 1005 E CB -0.436 29.256 29.700 -0.015 0.000 0.770 1005 E HN 0.668 nan 8.360 nan 0.000 0.459 1006 I N 0.423 120.982 120.570 -0.018 0.000 2.074 1006 I HA -0.350 3.820 4.170 -0.000 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 -0.003 120.566 120.570 -0.002 0.000 2.286 1007 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 1007 I C 2.507 178.630 176.117 0.010 0.000 1.115 1007 I CA 1.415 62.723 61.300 0.013 0.000 1.392 1007 I CB -1.308 36.709 38.000 0.027 0.000 1.065 1007 I HN 0.402 nan 8.210 nan 0.000 0.418 1008 Q N 0.512 120.314 119.800 0.003 0.000 2.291 1008 Q HA -0.124 4.216 4.340 -0.000 0.000 0.206 1008 Q C 1.792 177.788 176.000 -0.007 0.000 0.976 1008 Q CA 0.898 56.701 55.803 0.000 0.000 0.875 1008 Q CB -0.291 28.445 28.738 -0.004 0.000 0.927 1008 Q HN 0.556 nan 8.270 nan 0.000 0.450 1009 N N -0.632 118.059 118.700 -0.014 0.000 2.395 1009 N HA 0.027 4.767 4.740 -0.000 0.000 0.175 1009 N C 1.437 176.936 175.510 -0.018 0.000 1.029 1009 N CA 0.779 53.815 53.050 -0.023 0.000 0.897 1009 N CB 0.256 38.722 38.487 -0.035 0.000 0.991 1009 N HN 0.149 nan 8.380 nan 0.000 0.441 1010 A N 1.455 124.269 122.820 -0.009 0.000 1.841 1010 A HA -0.205 4.115 4.320 -0.000 0.000 0.214 1010 A C 2.173 179.773 177.584 0.027 0.000 1.195 1010 A CA 1.702 53.742 52.037 0.006 0.000 0.611 1010 A CB -0.844 18.169 19.000 0.023 0.000 0.835 1010 A HN 0.241 nan 8.150 nan 0.000 0.443 1011 Q N 0.357 120.177 119.800 0.033 0.000 2.156 1011 Q HA -0.244 4.096 4.340 -0.000 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 0.043 0.000 0.877 1011 Q CB -0.498 28.260 28.738 0.034 0.000 0.920 1011 Q HN 0.670 nan 8.270 nan 0.000 0.416 1012 R N -0.044 120.462 120.500 0.010 0.000 2.075 1012 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 1012 R C 1.916 178.219 176.300 0.005 0.000 1.126 1012 R CA 1.342 57.440 56.100 -0.004 0.000 0.963 1012 R CB -0.310 29.974 30.300 -0.027 0.000 0.858 1012 R HN 0.482 nan 8.270 nan 0.000 0.435 1013 D N 1.017 121.421 120.400 0.007 0.000 2.087 1013 D HA -0.144 4.496 4.640 -0.000 0.000 0.192 1013 D C 1.673 178.005 176.300 0.055 0.000 0.993 1013 D CA 1.552 55.561 54.000 0.015 0.000 0.828 1013 D CB -0.343 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 0.336 123.199 122.820 0.071 0.000 2.272 1014 A HA -0.040 4.280 4.320 -0.000 0.000 0.213 1014 A C 2.009 179.686 177.584 0.156 0.000 1.183 1014 A CA 0.856 52.955 52.037 0.104 0.000 0.719 1014 A CB -0.135 18.930 19.000 0.108 0.000 0.771 1014 A HN 0.186 nan 8.150 nan 0.000 0.484 1015 V N -2.732 117.267 119.914 0.141 0.000 3.562 1015 V HA -0.054 4.066 4.120 -0.000 0.000 0.270 1015 V C 2.164 178.361 176.094 0.171 0.000 1.418 1015 V CA 1.075 63.490 62.300 0.191 0.000 1.033 1015 V CB -0.337 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 1.768 116.384 114.554 0.104 0.000 2.531 1016 T HA -0.336 4.014 4.350 -0.000 0.000 0.261 1016 T C 1.855 176.649 174.700 0.157 0.000 1.141 1016 T CA 2.717 64.864 62.100 0.078 0.000 1.176 1016 T CB -0.416 68.479 68.868 0.045 0.000 0.863 1016 T HN 0.282 nan 8.240 nan 0.000 0.424 1017 L N 0.583 121.940 121.223 0.224 0.000 1.944 1017 L HA -0.075 4.265 4.340 -0.000 0.000 0.218 1017 L C 2.104 179.114 176.870 0.233 0.000 1.075 1017 L CA 1.939 56.924 54.840 0.241 0.000 0.767 1017 L CB -1.339 40.843 42.059 0.206 0.000 0.890 1017 L HN 0.309 nan 8.230 nan 0.000 0.434 1018 F N 0.191 120.215 119.950 0.124 0.000 2.045 1018 F HA -0.374 4.153 4.527 -0.000 0.000 0.297 1018 F C 2.628 178.479 175.800 0.084 0.000 1.114 1018 F CA 2.029 60.105 58.000 0.127 0.000 1.207 1018 F CB -1.249 37.876 39.000 0.208 0.000 0.964 1018 F HN 0.298 nan 8.300 nan 0.000 0.486 1019 C N 0.083 119.358 119.300 -0.043 0.000 2.385 1019 C HA -0.310 4.150 4.460 -0.000 0.000 0.275 1019 C C 3.114 178.020 174.990 -0.139 0.000 1.207 1019 C CA 1.266 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 0.769 nan 8.230 nan 0.000 0.467 1020 C N -0.090 119.202 119.300 -0.014 0.000 2.398 1020 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 1020 C C 2.494 177.476 174.990 -0.014 0.000 1.222 1020 C CA 1.421 60.456 59.018 0.027 0.000 1.746 1020 C CB -1.694 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 -0.000 0.000 0.216 1021 L C 2.378 179.175 176.870 -0.122 0.000 1.073 1021 L CA 2.052 56.864 54.840 -0.046 0.000 0.762 1021 L CB -1.215 40.828 42.059 -0.026 0.000 0.889 1021 L HN 0.301 nan 8.230 nan 0.000 0.433 1022 L N -0.048 120.981 121.223 -0.323 0.000 2.034 1022 L HA -0.294 4.046 4.340 -0.000 0.000 0.217 1022 L C 2.709 179.501 176.870 -0.130 0.000 1.077 1022 L CA 2.139 56.782 54.840 -0.328 0.000 0.769 1022 L CB -0.677 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 -0.772 119.677 120.500 -0.085 0.000 2.075 1023 R HA -0.102 4.238 4.340 -0.000 0.000 0.232 1023 R C 2.469 178.812 176.300 0.072 0.000 1.126 1023 R CA 1.491 57.587 56.100 -0.006 0.000 0.963 1023 R CB -0.557 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 0.547 116.295 115.700 0.079 0.000 2.402 1024 S HA -0.070 4.400 4.470 -0.000 0.000 0.229 1024 S C 1.862 176.622 174.600 0.265 0.000 1.021 1024 S CA 0.602 58.932 58.200 0.216 0.000 0.974 1024 S CB -0.017 63.258 63.200 0.124 0.000 0.800 1024 S HN 0.150 nan 8.310 nan 0.000 0.484 1025 R N 1.257 121.834 120.500 0.129 0.000 2.057 1025 R HA 0.323 4.662 4.340 -0.000 0.000 0.224 1025 R C 1.358 177.750 176.300 0.153 0.000 1.136 1025 R CA 0.551 56.728 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 2.356 123.645 121.223 0.109 0.000 2.873 1026 L HA 0.284 4.624 4.340 -0.000 0.000 0.236 1026 L C 0.078 177.036 176.870 0.147 0.000 1.375 1026 L CA -0.525 54.406 54.840 0.152 0.000 1.239 1026 L CB -0.147 41.967 42.059 0.091 0.000 1.603 1026 L HN 0.010 nan 8.230 nan 0.000 0.430 1027 A N -0.489 122.384 122.820 0.088 0.000 2.310 1027 A HA 0.430 4.750 4.320 -0.000 0.000 0.299 1027 A C 1.396 178.967 177.584 -0.022 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 0.444 nan 8.150 nan 0.000 0.495 1028 T N 1.948 116.500 114.554 -0.005 0.000 2.567 1028 T HA -0.265 4.085 4.350 -0.000 0.000 0.261 1028 T C 2.121 176.761 174.700 -0.100 0.000 1.123 1028 T CA 1.987 64.060 62.100 -0.046 0.000 1.166 1028 T CB -0.331 68.521 68.868 -0.027 0.000 0.860 1028 T HN 0.652 nan 8.240 nan 0.000 0.436 1029 R N 0.889 121.315 120.500 -0.125 0.000 2.148 1029 R HA -0.048 4.292 4.340 -0.000 0.000 0.230 1029 R C 2.651 178.802 176.300 -0.249 0.000 1.120 1029 R CA 1.609 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 -0.228 120.055 120.500 -0.361 0.000 2.196 1030 R HA -0.234 4.106 4.340 -0.000 0.000 0.244 1030 R C 2.283 178.188 176.300 -0.659 0.000 1.121 1030 R CA 2.576 58.348 56.100 -0.546 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 1.278 121.001 119.914 -0.317 0.000 2.278 1031 V HA -0.284 3.836 4.120 -0.000 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 31.459 31.823 0.147 0.000 0.646 1031 V HN 0.299 nan 8.190 nan 0.000 0.447 1032 L N -1.257 119.894 121.223 -0.120 0.000 2.130 1032 L HA -0.065 4.275 4.340 -0.000 0.000 0.200 1032 L C 2.527 179.349 176.870 -0.081 0.000 1.075 1032 L CA 1.496 56.288 54.840 -0.080 0.000 0.768 1032 L CB -0.543 41.467 42.059 -0.081 0.000 0.933 1032 L HN 0.266 nan 8.230 nan 0.000 0.451 1033 Q N -0.075 119.643 119.800 -0.136 0.000 2.163 1033 Q HA -0.116 4.224 4.340 -0.000 0.000 0.198 1033 Q C 2.042 177.960 176.000 -0.137 0.000 0.954 1033 Q CA 0.909 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 -0.289 0.000 2.051 1034 E HA -0.106 4.244 4.350 -0.000 0.000 0.189 1034 E C -0.294 176.247 176.600 -0.098 0.000 0.979 1034 E CA 0.786 57.001 56.400 -0.307 0.000 0.803 1034 E CB 0.350 29.715 29.700 -0.559 0.000 0.761 1034 E HN 0.404 nan 8.360 nan 0.000 0.451 1035 Y N -0.981 119.370 120.300 0.085 0.000 2.490 1035 Y HA 0.413 4.963 4.550 -0.000 0.000 0.346 1035 Y C -0.494 175.481 175.900 0.126 0.000 1.023 1035 Y CA -1.024 57.177 58.100 0.169 0.000 1.142 1035 Y CB -0.169 38.360 38.460 0.115 0.000 1.126 1035 Y HN -0.252 nan 8.280 nan 0.000 0.647 1036 R N 1.913 122.553 120.500 0.233 0.000 0.838 1036 R HA -0.165 4.175 4.340 -0.000 0.000 0.160 1036 R C 0.121 176.450 176.300 0.049 0.000 0.385 1036 R CA 0.443 56.593 56.100 0.084 0.000 0.212 1036 R CB -1.064 29.238 30.300 0.003 0.000 1.754 1036 R HN 0.739 nan 8.270 nan 0.000 0.594 1037 L N 0.066 121.369 121.223 0.133 0.000 2.444 1037 L HA 0.056 4.396 4.340 -0.000 0.000 0.251 1037 L C 1.395 178.292 176.870 0.045 0.000 1.247 1037 L CA 0.651 55.561 54.840 0.116 0.000 0.825 1037 L CB 0.165 42.379 42.059 0.259 0.000 1.129 1037 L HN 0.348 nan 8.230 nan 0.000 0.527 1038 T N -3.208 111.359 114.554 0.020 0.000 2.906 1038 T HA 0.253 4.603 4.350 -0.000 0.000 0.295 1038 T C 0.392 175.095 174.700 0.005 0.000 1.075 1038 T CA -0.905 61.189 62.100 -0.010 0.000 1.005 1038 T CB 2.019 70.871 68.868 -0.026 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 4.074 4.320 -0.000 0.000 0.209 1039 K C 2.102 178.730 176.600 0.046 0.000 1.047 1039 K CA 2.419 58.712 56.287 0.010 0.000 0.927 1039 K CB -0.545 31.951 32.500 -0.007 0.000 0.716 1039 K HN 0.762 nan 8.250 nan 0.000 0.454 1040 Q N -0.857 118.934 119.800 -0.015 0.000 1.994 1040 Q HA -0.087 4.253 4.340 -0.000 0.000 0.198 1040 Q C 1.949 177.763 176.000 -0.310 0.000 0.976 1040 Q CA 1.563 57.327 55.803 -0.065 0.000 0.828 1040 Q CB -0.323 28.407 28.738 -0.013 0.000 0.894 1040 Q HN 0.381 nan 8.270 nan 0.000 0.432 1041 A N 0.756 123.225 122.820 -0.586 0.000 1.841 1041 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 1041 A C 1.922 179.395 177.584 -0.185 0.000 1.199 1041 A CA 1.554 53.076 52.037 -0.859 0.000 0.621 1041 A CB -1.405 17.272 19.000 -0.539 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 -0.148 0.000 2.032 1042 F HA -0.345 4.182 4.527 -0.000 0.000 0.297 1042 F C 1.961 177.749 175.800 -0.021 0.000 1.125 1042 F CA 2.643 60.615 58.000 -0.045 0.000 1.202 1042 F CB -0.506 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 -0.851 119.726 120.400 0.296 0.000 2.172 1043 D HA -0.277 4.363 4.640 -0.000 0.000 0.196 1043 D C 1.669 178.025 176.300 0.093 0.000 0.999 1043 D CA 1.672 55.791 54.000 0.199 0.000 0.856 1043 D CB -0.502 40.403 40.800 0.175 0.000 0.934 1043 D HN 0.580 nan 8.370 nan 0.000 0.453 1044 W N 0.500 121.738 121.300 -0.103 0.000 2.408 1044 W HA -0.137 4.523 4.660 -0.000 0.000 0.311 1044 W C 2.137 178.602 176.519 -0.090 0.000 1.190 1044 W CA 0.998 58.310 57.345 -0.053 0.000 1.321 1044 W CB -0.703 28.751 29.460 -0.011 0.000 1.143 1044 W HN -0.210 nan 8.180 nan 0.000 0.501 1045 V N 1.851 121.623 119.914 -0.237 0.000 2.363 1045 V HA -0.382 3.738 4.120 -0.000 0.000 0.254 1045 V C 2.340 178.160 176.094 -0.458 0.000 1.074 1045 V CA 2.155 64.176 62.300 -0.465 0.000 1.069 1045 V CB -1.221 30.379 31.823 -0.371 0.000 0.659 1045 V HN 0.276 nan 8.190 nan 0.000 0.455 1046 L N -0.212 120.772 121.223 -0.398 0.000 1.961 1046 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 1046 L C 2.724 179.464 176.870 -0.216 0.000 1.075 1046 L CA 1.925 56.591 54.840 -0.289 0.000 0.749 1046 L CB -1.117 40.813 42.059 -0.215 0.000 0.890 1046 L HN 0.382 nan 8.230 nan 0.000 0.433 1047 S N 0.069 115.666 115.700 -0.171 0.000 2.421 1047 S HA -0.301 4.169 4.470 -0.000 0.000 0.239 1047 S C 1.925 176.409 174.600 -0.193 0.000 1.054 1047 S CA 2.089 60.213 58.200 -0.128 0.000 1.035 1047 S CB -0.522 62.639 63.200 -0.064 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 -0.369 0.000 2.051 1048 N HA -0.054 4.686 4.740 -0.000 0.000 0.192 1048 N C 1.879 177.259 175.510 -0.217 0.000 1.049 1048 N CA 1.881 54.681 53.050 -0.418 0.000 0.845 1048 N CB -0.509 37.497 38.487 -0.801 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 -0.186 0.000 2.091 1049 I HA -0.354 3.816 4.170 -0.000 0.000 0.240 1049 I C 2.546 178.692 176.117 0.048 0.000 1.046 1049 I CA 1.710 62.995 61.300 -0.024 0.000 1.306 1049 I CB -0.684 37.320 38.000 0.006 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 0.003 0.000 2.072 1050 E HA -0.364 3.986 4.350 -0.000 0.000 0.218 1050 E C 2.160 178.801 176.600 0.070 0.000 1.051 1050 E CA 2.220 58.639 56.400 0.032 0.000 0.880 1050 E CB -0.254 29.438 29.700 -0.015 0.000 0.783 1050 E HN 0.474 nan 8.360 nan 0.000 0.473 1051 A N 0.638 123.464 122.820 0.010 0.000 1.869 1051 A HA -0.338 3.982 4.320 -0.000 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 17.968 19.000 -0.022 0.000 0.831 1051 A HN 0.537 nan 8.150 nan 0.000 0.450 1052 Q N -1.947 117.851 119.800 -0.003 0.000 2.062 1052 Q HA -0.247 4.093 4.340 -0.000 0.000 0.209 1052 Q C 1.966 177.942 176.000 -0.040 0.000 0.996 1052 Q CA 1.961 57.751 55.803 -0.022 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 -0.000 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 -0.179 0.000 1.195 1053 F CB -0.458 38.461 39.000 -0.136 0.000 0.960 1053 F HN 0.000 nan 8.300 nan 0.000 0.485 1054 L N 0.022 121.338 121.223 0.155 0.000 2.197 1054 L HA -0.286 4.054 4.340 -0.000 0.000 0.215 1054 L C 2.412 179.212 176.870 -0.117 0.000 1.095 1054 L CA 1.476 56.342 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 -1.141 119.262 120.500 -0.162 0.000 2.240 1055 R HA 0.053 4.393 4.340 -0.000 0.000 0.203 1055 R C 1.960 177.995 176.300 -0.443 0.000 1.011 1055 R CA 0.631 56.587 56.100 -0.240 0.000 1.007 1055 R CB -0.025 30.149 30.300 -0.210 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 -0.428 0.000 2.593 1056 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 1056 S C 0.713 175.133 174.600 -0.300 0.000 0.966 1056 S CA -0.136 57.817 58.200 -0.412 0.000 0.914 1056 S CB 0.249 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 2.080 121.829 119.914 -0.276 0.000 2.775 1057 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 1057 V C 0.771 176.889 176.094 0.040 0.000 1.062 1057 V CA -0.801 61.409 62.300 -0.150 0.000 1.063 1057 V CB 0.562 32.307 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 4.227 4.120 -0.000 0.000 0.305 1058 V C 0.364 176.574 176.094 0.193 0.000 1.073 1058 V CA -0.170 62.240 62.300 0.184 0.000 1.098 1058 V CB 0.115 32.075 31.823 0.228 0.000 1.000 1058 V HN 0.840 nan 8.190 nan 0.000 0.484 1059 H N 3.634 122.669 119.070 -0.058 0.000 2.489 1059 H HA 0.272 4.828 4.556 -0.000 0.000 0.322 1059 H C -2.364 172.850 175.328 -0.191 0.000 1.091 1059 H CA -2.128 53.853 56.048 -0.112 0.000 1.291 1059 H CB 1.555 31.263 29.762 -0.090 0.000 1.436 1059 H HN 0.452 nan 8.280 nan 0.000 0.480 1060 P HA -0.025 nan 4.420 nan 0.000 0.262 1060 P C 0.840 177.922 177.300 -0.363 0.000 1.199 1060 P CA 1.008 63.843 63.100 -0.442 0.000 0.763 1060 P CB 0.679 31.773 31.700 -1.010 0.000 0.790 1061 G N 2.431 111.071 108.800 -0.267 0.000 2.905 1061 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.196 1061 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.196 1061 G C 0.044 174.856 174.900 -0.147 0.000 1.044 1061 G CA -0.535 44.471 45.100 -0.156 0.000 0.778 1061 G HN 0.454 nan 8.290 nan 0.000 0.474 1062 E N 2.025 122.139 120.200 -0.145 0.000 2.729 1062 E HA 0.071 4.421 4.350 -0.000 0.000 0.246 1062 E C 0.588 177.064 176.600 -0.207 0.000 0.984 1062 E CA 0.406 56.712 56.400 -0.156 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 5.031 124.533 119.600 -0.163 0.000 3.237 1063 M HA 0.009 4.489 4.480 -0.000 0.000 0.266 1063 M C 1.076 177.272 176.300 -0.173 0.000 1.456 1063 M CA -0.189 55.014 55.300 -0.162 0.000 1.593 1063 M CB -0.478 32.053 32.600 -0.116 0.000 1.129 1063 M HN 0.165 nan 8.290 nan 0.000 0.547 1064 V N 0.981 120.735 119.914 -0.265 0.000 2.594 1064 V HA -0.173 3.947 4.120 -0.000 0.000 0.253 1064 V C 2.343 178.356 176.094 -0.135 0.000 1.069 1064 V CA 2.039 64.178 62.300 -0.269 0.000 1.082 1064 V CB -1.438 30.045 31.823 -0.567 0.000 0.680 1064 V HN 0.812 nan 8.190 nan 0.000 0.469 1065 G N 0.688 109.406 108.800 -0.138 0.000 2.628 1065 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.217 1065 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.217 1065 G C 1.634 176.482 174.900 -0.087 0.000 1.240 1065 G CA 1.619 46.655 45.100 -0.107 0.000 0.792 1065 G HN 0.363 nan 8.290 nan 0.000 0.593 1066 V N 0.970 120.832 119.914 -0.087 0.000 2.237 1066 V HA -0.160 3.960 4.120 -0.000 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 -0.766 31.015 31.823 -0.070 0.000 0.638 1066 V HN 0.361 nan 8.190 nan 0.000 0.445 1067 L N 0.454 121.655 121.223 -0.037 0.000 2.171 1067 L HA -0.292 4.048 4.340 -0.000 0.000 0.216 1067 L C 2.178 179.076 176.870 0.048 0.000 1.084 1067 L CA 2.607 57.451 54.840 0.006 0.000 0.771 1067 L CB -0.662 41.421 42.059 0.040 0.000 0.890 1067 L HN 0.296 nan 8.230 nan 0.000 0.437 1068 A N -1.245 121.629 122.820 0.090 0.000 1.862 1068 A HA 0.190 4.510 4.320 -0.000 0.000 0.211 1068 A C 2.447 180.016 177.584 -0.026 0.000 1.220 1068 A CA 1.179 53.307 52.037 0.151 0.000 0.616 1068 A CB -1.219 17.887 19.000 0.176 0.000 0.878 1068 A HN 0.519 nan 8.150 nan 0.000 0.453 1069 A N -0.054 122.736 122.820 -0.050 0.000 1.909 1069 A HA -0.354 3.965 4.320 -0.000 0.000 0.221 1069 A C 2.129 179.658 177.584 -0.092 0.000 1.223 1069 A CA 2.263 54.248 52.037 -0.086 0.000 0.658 1069 A CB -0.902 18.035 19.000 -0.106 0.000 0.831 1069 A HN 0.688 nan 8.150 nan 0.000 0.462 1070 Q N -0.818 118.931 119.800 -0.084 0.000 2.079 1070 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 1070 Q C 2.360 178.295 176.000 -0.107 0.000 0.974 1070 Q CA 1.505 57.261 55.803 -0.079 0.000 0.840 1070 Q CB -0.262 28.453 28.738 -0.040 0.000 0.898 1070 Q HN 0.645 nan 8.270 nan 0.000 0.430 1071 S N 0.639 116.229 115.700 -0.184 0.000 2.465 1071 S HA -0.101 4.369 4.470 -0.000 0.000 0.241 1071 S C 1.771 176.230 174.600 -0.236 0.000 1.000 1071 S CA 0.928 58.939 58.200 -0.314 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 -0.009 120.460 120.570 -0.167 0.000 3.172 1072 I HA 0.106 4.276 4.170 -0.000 0.000 0.278 1072 I C 2.601 178.651 176.117 -0.112 0.000 1.174 1072 I CA 0.568 61.789 61.300 -0.133 0.000 1.445 1072 I CB -0.691 37.245 38.000 -0.107 0.000 1.175 1072 I HN 0.311 nan 8.210 nan 0.000 0.447 1073 G N 0.819 109.557 108.800 -0.104 0.000 2.418 1073 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 1073 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 1073 G C 1.497 176.334 174.900 -0.106 0.000 1.158 1073 G CA 0.524 45.569 45.100 -0.092 0.000 0.771 1073 G HN 0.234 nan 8.290 nan 0.000 0.545 1074 E N 0.985 121.105 120.200 -0.133 0.000 2.000 1074 E HA -0.107 4.243 4.350 -0.000 0.000 0.199 1074 E C 0.067 176.585 176.600 -0.136 0.000 1.011 1074 E CA 1.509 57.802 56.400 -0.179 0.000 0.836 1074 E CB -1.005 28.539 29.700 -0.260 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 0.714 177.962 177.300 -0.086 0.000 1.141 1075 P CA 1.528 64.572 63.100 -0.093 0.000 0.774 1075 P CB -0.093 31.549 31.700 -0.097 0.000 0.760 1076 A N 0.060 122.828 122.820 -0.087 0.000 1.935 1076 A HA -0.017 4.303 4.320 -0.000 0.000 0.214 1076 A C 1.920 179.470 177.584 -0.058 0.000 1.178 1076 A CA 1.402 53.398 52.037 -0.069 0.000 0.640 1076 A CB -1.446 17.516 19.000 -0.064 0.000 0.825 1076 A HN 0.223 nan 8.150 nan 0.000 0.447 1077 T N 0.135 114.648 114.554 -0.068 0.000 3.361 1077 T HA 0.065 4.414 4.350 -0.000 0.000 0.251 1077 T C 0.938 175.602 174.700 -0.060 0.000 1.131 1077 T CA 0.486 62.550 62.100 -0.060 0.000 1.001 1077 T CB 0.017 68.841 68.868 -0.073 0.000 1.003 1077 T HN 0.396 nan 8.240 nan 0.000 0.558 1078 Q N 0.125 119.890 119.800 -0.059 0.000 2.189 1078 Q HA 0.350 4.690 4.340 -0.000 0.000 0.223 1078 Q C 0.243 176.219 176.000 -0.039 0.000 0.828 1078 Q CA 0.138 55.911 55.803 -0.051 0.000 0.967 1078 Q CB 0.454 29.159 28.738 -0.055 0.000 1.139 1078 Q HN 0.567 nan 8.270 nan 0.000 0.497 1079 M N 1.191 120.768 119.600 -0.038 0.000 2.144 1079 M HA 0.339 4.819 4.480 -0.000 0.000 0.356 1079 M C -0.635 175.651 176.300 -0.022 0.000 1.217 1079 M CA 0.432 55.714 55.300 -0.030 0.000 1.087 1079 M CB 1.396 33.976 32.600 -0.033 0.000 1.609 1079 M HN -0.234 nan 8.290 nan 0.000 0.467 1080 T N 3.723 118.267 114.554 -0.016 0.000 3.767 1080 T HA 0.434 4.784 4.350 -0.000 0.000 0.360 1080 T C -0.765 173.932 174.700 -0.006 0.000 1.181 1080 T CA -0.688 61.405 62.100 -0.011 0.000 1.110 1080 T CB 1.364 70.225 68.868 -0.012 0.000 1.201 1080 T HN 0.519 nan 8.240 nan 0.000 0.474 1093 K N 1.599 122.014 120.400 0.025 0.000 3.084 1093 K HA 0.301 4.621 4.320 -0.000 0.000 0.172 1093 K C -0.663 175.957 176.600 0.033 0.000 1.078 1093 K CA -0.344 55.958 56.287 0.024 0.000 0.875 1093 K CB 1.572 34.083 32.500 0.019 0.000 1.064 1093 K HN -0.108 nan 8.250 nan 0.000 0.597 1094 V N -0.084 119.852 119.914 0.037 0.000 3.074 1094 V HA 0.353 4.473 4.120 -0.000 0.000 0.314 1094 V C 0.211 176.330 176.094 0.040 0.000 1.117 1094 V CA -0.966 61.361 62.300 0.046 0.000 1.014 1094 V CB 2.217 34.076 31.823 0.061 0.000 1.057 1094 V HN 0.285 nan 8.190 nan 0.000 0.438 1095 T N 2.948 117.530 114.554 0.046 0.000 2.727 1095 T HA 0.461 4.811 4.350 -0.000 0.000 0.295 1095 T C 0.249 174.973 174.700 0.041 0.000 0.915 1095 T CA -0.011 62.113 62.100 0.041 0.000 1.066 1095 T CB 0.214 69.111 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 0.028 0.000 2.874 1096 S HA 0.940 5.410 4.470 -0.000 0.000 0.318 1096 S C 0.588 175.194 174.600 0.011 0.000 1.109 1096 S CA -0.392 57.819 58.200 0.020 0.000 0.878 1096 S CB 0.839 64.047 63.200 0.013 0.000 1.307 1096 S HN 1.138 nan 8.310 nan 0.000 0.592 1097 G N -0.283 108.516 108.800 -0.002 0.000 2.914 1097 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.254 1097 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.254 1097 G C 0.664 175.564 174.900 -0.000 0.000 1.449 1097 G CA -0.193 44.903 45.100 -0.007 0.000 0.925 1097 G HN 1.562 nan 8.290 nan 0.000 0.555 1098 V N 2.034 121.946 119.914 -0.003 0.000 2.279 1098 V HA -0.347 3.773 4.120 -0.000 0.000 0.258 1098 V C 1.155 177.262 176.094 0.021 0.000 1.078 1098 V CA 3.721 66.025 62.300 0.007 0.000 1.096 1098 V CB -1.840 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 0.042 0.000 1.167 1099 P CA 2.549 65.669 63.100 0.033 0.000 0.914 1099 P CB -0.224 31.492 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 -0.000 0.000 0.236 1100 R C 2.478 178.804 176.300 0.043 0.000 1.137 1100 R CA 1.517 57.645 56.100 0.047 0.000 0.943 1100 R CB -1.907 28.416 30.300 0.039 0.000 0.846 1100 R HN 0.130 nan 8.270 nan 0.000 0.431 1101 L N 1.074 122.309 121.223 0.020 0.000 2.081 1101 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 1101 L C 2.241 179.132 176.870 0.034 0.000 1.080 1101 L CA 2.224 57.068 54.840 0.005 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 -0.554 119.877 120.400 0.053 0.000 2.025 1102 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 1102 K C 2.125 178.785 176.600 0.100 0.000 1.049 1102 K CA 1.628 57.964 56.287 0.080 0.000 0.933 1102 K CB -0.190 32.359 32.500 0.082 0.000 0.714 1102 K HN 0.476 nan 8.250 nan 0.000 0.438 1103 E N 0.726 120.984 120.200 0.097 0.000 2.065 1103 E HA -0.237 4.113 4.350 -0.000 0.000 0.201 1103 E C 1.934 178.645 176.600 0.184 0.000 1.016 1103 E CA 2.119 58.595 56.400 0.127 0.000 0.818 1103 E CB -0.112 29.660 29.700 0.120 0.000 0.749 1103 E HN 0.314 nan 8.360 nan 0.000 0.453 1104 I N 0.472 121.141 120.570 0.165 0.000 2.045 1104 I HA -0.352 3.818 4.170 -0.000 0.000 0.233 1104 I C 2.493 178.722 176.117 0.188 0.000 1.048 1104 I CA 1.280 62.688 61.300 0.180 0.000 1.313 1104 I CB -0.553 37.419 38.000 -0.047 0.000 1.043 1104 I HN 0.223 nan 8.210 nan 0.000 0.393 1105 L N 0.689 121.968 121.223 0.093 0.000 2.103 1105 L HA -0.299 4.041 4.340 -0.000 0.000 0.215 1105 L C 2.209 179.160 176.870 0.135 0.000 1.080 1105 L CA 1.428 56.322 54.840 0.090 0.000 0.764 1105 L CB -0.854 41.237 42.059 0.052 0.000 0.890 1105 L HN 0.430 nan 8.230 nan 0.000 0.435 1106 N N -0.429 118.362 118.700 0.152 0.000 2.409 1106 N HA -0.044 4.696 4.740 -0.000 0.000 0.179 1106 N C 0.754 176.366 175.510 0.170 0.000 1.032 1106 N CA 0.826 53.970 53.050 0.157 0.000 0.898 1106 N CB 0.401 38.979 38.487 0.151 0.000 0.971 1106 N HN 0.101 nan 8.380 nan 0.000 0.441 1107 V N -0.049 119.993 119.914 0.215 0.000 6.086 1107 V HA -0.253 3.867 4.120 -0.000 0.000 0.331 1107 V C 0.635 176.774 176.094 0.075 0.000 0.467 1107 V CA 0.239 62.656 62.300 0.194 0.000 0.678 1107 V CB -2.864 29.047 31.823 0.148 0.000 0.318 1107 V HN 0.411 nan 8.190 nan 0.000 1.180 1108 A N 0.069 122.949 122.820 0.099 0.000 2.448 1108 A HA 0.559 4.879 4.320 -0.000 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 0.636 nan 8.150 nan 0.000 0.499 1109 K N -0.266 120.119 120.400 -0.025 0.000 2.391 1109 K HA 0.106 4.426 4.320 -0.000 0.000 0.197 1109 K C 0.143 176.724 176.600 -0.032 0.000 1.087 1109 K CA 0.692 56.944 56.287 -0.057 0.000 1.012 1109 K CB 0.284 32.753 32.500 -0.052 0.000 0.925 1109 K HN 0.688 nan 8.250 nan 0.000 0.547 1110 N N 2.499 121.196 118.700 -0.006 0.000 2.455 1110 N HA 0.080 4.820 4.740 -0.000 0.000 0.258 1110 N C -0.149 175.371 175.510 0.017 0.000 1.158 1110 N CA -0.074 52.977 53.050 0.003 0.000 0.893 1110 N CB 0.017 38.510 38.487 0.009 0.000 1.173 1110 N HN 0.354 nan 8.380 nan 0.000 0.503 1111 M N -0.955 118.658 119.600 0.022 0.000 2.248 1111 M HA 0.058 4.538 4.480 -0.000 0.000 0.343 1111 M C 0.695 177.016 176.300 0.035 0.000 1.243 1111 M CA 0.512 55.838 55.300 0.044 0.000 1.025 1111 M CB 0.760 33.397 32.600 0.063 0.000 1.759 1111 M HN -0.153 nan 8.290 nan 0.000 0.452 1112 K N 1.371 121.795 120.400 0.040 0.000 2.062 1112 K HA 0.021 4.341 4.320 -0.000 0.000 0.205 1112 K C 0.287 176.907 176.600 0.034 0.000 1.051 1112 K CA 1.255 57.561 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 3.176 117.757 114.554 0.045 0.000 3.254 1113 T HA 0.139 4.489 4.350 -0.000 0.000 0.385 1113 T C -2.045 172.688 174.700 0.055 0.000 1.528 1113 T CA -1.462 60.666 62.100 0.047 0.000 1.212 1113 T CB 1.381 70.281 68.868 0.053 0.000 1.145 1113 T HN 0.049 nan 8.240 nan 0.000 0.631 1114 P HA -0.047 nan 4.420 nan 0.000 0.202 1114 P C 0.437 177.763 177.300 0.042 0.000 1.189 1114 P CA 0.576 63.697 63.100 0.036 0.000 0.921 1114 P CB 0.009 31.719 31.700 0.016 0.000 0.756 1115 S N -1.808 113.913 115.700 0.035 0.000 3.400 1115 S HA -0.160 4.310 4.470 -0.000 0.000 0.854 1115 S C -0.846 173.776 174.600 0.037 0.000 1.167 1115 S CA -0.156 58.071 58.200 0.044 0.000 0.985 1115 S CB -1.118 62.125 63.200 0.071 0.000 0.666 1115 S HN 0.344 nan 8.310 nan 0.000 0.276 1116 L N 4.034 125.281 121.223 0.040 0.000 2.410 1116 L HA 0.711 5.051 4.340 -0.000 0.000 0.270 1116 L C -0.169 176.735 176.870 0.057 0.000 0.983 1116 L CA 0.051 54.916 54.840 0.040 0.000 0.822 1116 L CB 2.370 44.444 42.059 0.024 0.000 1.285 1116 L HN 0.758 nan 8.230 nan 0.000 0.409 1117 T N 4.298 118.917 114.554 0.108 0.000 2.821 1117 T HA 0.530 4.879 4.350 -0.000 0.000 0.307 1117 T C -0.303 174.387 174.700 -0.016 0.000 1.034 1117 T CA -0.433 61.691 62.100 0.040 0.000 0.953 1117 T CB 0.736 69.714 68.868 0.184 0.000 0.968 1117 T HN 0.465 nan 8.240 nan 0.000 0.462 1118 V N 1.754 121.583 119.914 -0.141 0.000 2.716 1118 V HA 0.782 4.902 4.120 -0.000 0.000 0.304 1118 V C -1.260 174.662 176.094 -0.286 0.000 1.053 1118 V CA -0.910 61.350 62.300 -0.067 0.000 0.984 1118 V CB 0.706 32.526 31.823 -0.005 0.000 1.021 1118 V HN 0.671 nan 8.190 nan 0.000 0.467 1119 Y N 2.184 122.502 120.300 0.029 0.000 2.524 1119 Y HA 0.758 5.308 4.550 -0.000 0.000 0.344 1119 Y C -0.127 175.802 175.900 0.050 0.000 1.012 1119 Y CA -1.225 56.893 58.100 0.030 0.000 1.068 1119 Y CB 1.557 40.042 38.460 0.041 0.000 1.249 1119 Y HN 0.521 nan 8.280 nan 0.000 0.468 1120 L N 1.135 122.486 121.223 0.214 0.000 2.439 1120 L HA 0.212 4.552 4.340 -0.000 0.000 0.261 1120 L C 0.461 177.430 176.870 0.165 0.000 1.153 1120 L CA -0.536 54.405 54.840 0.168 0.000 0.808 1120 L CB 0.259 42.422 42.059 0.173 0.000 1.126 1120 L HN 0.592 nan 8.230 nan 0.000 0.460 1121 E N 2.448 122.743 120.200 0.157 0.000 2.452 1121 E HA -0.062 4.288 4.350 -0.000 0.000 0.261 1121 E C -1.518 175.150 176.600 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 0.194 0.000 0.934 1121 E HN 0.391 nan 8.360 nan 0.000 0.452 1122 P HA -0.325 nan 4.420 nan 0.000 0.216 1122 P C 1.131 178.429 177.300 -0.003 0.000 1.062 1122 P CA 2.067 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 -0.557 108.196 108.800 -0.077 0.000 2.586 1123 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 1123 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 1123 G C 0.560 175.349 174.900 -0.185 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 1.358 120.454 119.070 0.044 0.000 3.629 1124 H HA 0.367 4.923 4.556 -0.000 0.000 0.245 1124 H C 1.120 176.499 175.328 0.084 0.000 1.599 1124 H CA 0.420 56.501 56.048 0.054 0.000 1.557 1124 H CB -0.192 29.595 29.762 0.041 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 0.146 0.000 2.431 1125 A HA 0.446 4.766 4.320 -0.000 0.000 0.239 1125 A C 1.874 179.577 177.584 0.197 0.000 1.230 1125 A CA 0.536 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 0.203 0.000 2.141 1126 A HA 0.237 4.557 4.320 -0.000 0.000 0.201 1126 A C 0.042 177.788 177.584 0.271 0.000 1.344 1126 A CA -0.015 52.168 52.037 0.243 0.000 0.971 1126 A CB 0.129 19.218 19.000 0.149 0.000 1.035 1126 A HN 0.190 nan 8.150 nan 0.000 0.480 1127 D N 1.649 122.159 120.400 0.184 0.000 2.422 1127 D HA 0.001 4.641 4.640 -0.000 0.000 0.283 1127 D C 1.302 177.583 176.300 -0.031 0.000 1.428 1127 D CA 0.541 54.594 54.000 0.089 0.000 1.117 1127 D CB 0.895 41.746 40.800 0.085 0.000 1.120 1127 D HN 0.551 nan 8.370 nan 0.000 0.543 1128 Q N 2.740 122.481 119.800 -0.098 0.000 2.268 1128 Q HA -0.261 4.079 4.340 -0.000 0.000 0.210 1128 Q C 1.556 177.248 176.000 -0.514 0.000 0.988 1128 Q CA 1.795 57.285 55.803 -0.520 0.000 0.883 1128 Q CB 0.071 28.649 28.738 -0.267 0.000 0.911 1128 Q HN 0.613 nan 8.270 nan 0.000 0.430 1129 E N -0.515 119.529 120.200 -0.261 0.000 2.014 1129 E HA -0.271 4.079 4.350 -0.000 0.000 0.190 1129 E C 1.995 178.479 176.600 -0.193 0.000 0.980 1129 E CA 0.955 57.228 56.400 -0.212 0.000 0.807 1129 E CB -0.237 29.386 29.700 -0.129 0.000 0.770 1129 E HN 0.503 nan 8.360 nan 0.000 0.451 1130 Q N 0.707 120.423 119.800 -0.140 0.000 2.250 1130 Q HA -0.308 4.032 4.340 -0.000 0.000 0.215 1130 Q C 1.724 177.652 176.000 -0.120 0.000 1.002 1130 Q CA 2.670 58.400 55.803 -0.122 0.000 0.910 1130 Q CB -0.488 28.200 28.738 -0.082 0.000 0.939 1130 Q HN 0.357 nan 8.270 nan 0.000 0.416 1131 A N 0.103 122.830 122.820 -0.155 0.000 1.872 1131 A HA -0.165 4.155 4.320 -0.000 0.000 0.214 1131 A C 1.967 179.449 177.584 -0.170 0.000 1.187 1131 A CA 1.554 53.506 52.037 -0.142 0.000 0.614 1131 A CB -0.483 18.412 19.000 -0.175 0.000 0.826 1131 A HN 0.448 nan 8.150 nan 0.000 0.442 1132 K N -0.180 120.074 120.400 -0.244 0.000 2.077 1132 K HA -0.209 4.111 4.320 -0.000 0.000 0.213 1132 K C 1.862 178.370 176.600 -0.153 0.000 1.051 1132 K CA 1.811 57.964 56.287 -0.223 0.000 0.929 1132 K CB -0.619 31.739 32.500 -0.236 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 -0.000 0.000 0.215 1133 L C 2.395 179.219 176.870 -0.075 0.000 1.074 1133 L CA 1.473 56.255 54.840 -0.097 0.000 0.759 1133 L CB -0.680 41.324 42.059 -0.092 0.000 0.888 1133 L HN 0.195 nan 8.230 nan 0.000 0.433 1134 I N -0.370 120.159 120.570 -0.068 0.000 2.479 1134 I HA -0.326 3.843 4.170 -0.000 0.000 0.258 1134 I C 2.815 178.912 176.117 -0.034 0.000 1.165 1134 I CA 1.074 62.349 61.300 -0.042 0.000 1.422 1134 I CB -0.541 37.441 38.000 -0.029 0.000 1.087 1134 I HN 0.380 nan 8.210 nan 0.000 0.441 1135 R N 1.582 122.051 120.500 -0.052 0.000 2.064 1135 R HA -0.166 4.174 4.340 -0.000 0.000 0.228 1135 R C 2.523 178.814 176.300 -0.016 0.000 1.144 1135 R CA 2.307 58.386 56.100 -0.034 0.000 0.932 1135 R CB -0.366 29.889 30.300 -0.075 0.000 0.833 1135 R HN 0.377 nan 8.270 nan 0.000 0.429 1136 S N 0.757 116.434 115.700 -0.038 0.000 2.382 1136 S HA -0.063 4.407 4.470 -0.000 0.000 0.228 1136 S C 2.266 176.854 174.600 -0.021 0.000 1.027 1136 S CA 0.899 59.083 58.200 -0.027 0.000 0.991 1136 S CB -0.396 62.775 63.200 -0.049 0.000 0.823 1136 S HN 0.532 nan 8.310 nan 0.000 0.469 1137 A N 1.640 124.445 122.820 -0.026 0.000 1.972 1137 A HA 0.067 4.387 4.320 -0.000 0.000 0.219 1137 A C 2.139 179.722 177.584 -0.001 0.000 1.169 1137 A CA 1.408 53.434 52.037 -0.019 0.000 0.635 1137 A CB -0.624 18.362 19.000 -0.024 0.000 0.810 1137 A HN 0.593 nan 8.150 nan 0.000 0.446 1138 I N -1.256 119.317 120.570 0.006 0.000 2.499 1138 I HA -0.013 4.157 4.170 -0.000 0.000 0.243 1138 I C 1.154 177.297 176.117 0.044 0.000 1.085 1138 I CA 0.045 61.358 61.300 0.023 0.000 1.422 1138 I CB -0.322 37.690 38.000 0.020 0.000 1.165 1138 I HN 0.318 nan 8.210 nan 0.000 0.440 1139 E N 2.517 122.743 120.200 0.044 0.000 2.752 1139 E HA -0.202 4.148 4.350 -0.000 0.000 0.241 1139 E C 0.075 176.722 176.600 0.078 0.000 1.016 1139 E CA 0.072 56.512 56.400 0.065 0.000 0.952 1139 E CB 0.018 29.757 29.700 0.065 0.000 0.921 1139 E HN 0.163 nan 8.360 nan 0.000 0.515 1140 H N 3.298 122.368 119.070 0.000 0.000 2.998 1140 H HA 0.004 4.560 4.556 -0.000 0.000 0.353 1140 H C -0.928 174.397 175.328 -0.006 0.000 1.099 1140 H CA 1.027 57.071 56.048 -0.006 0.000 1.393 1140 H CB 0.671 30.428 29.762 -0.007 0.000 1.343 1140 H HN 0.395 nan 8.280 nan 0.000 0.609 1141 T N 4.444 118.609 114.554 -0.648 0.000 3.798 1141 T HA 0.239 4.589 4.350 -0.000 0.000 0.339 1141 T C -0.547 173.874 174.700 -0.464 0.000 0.967 1141 T CA -0.403 61.445 62.100 -0.420 0.000 1.046 1141 T CB 0.574 69.329 68.868 -0.190 0.000 1.092 1141 T HN 0.832 nan 8.240 nan 0.000 0.465 1142 T N 0.479 114.846 114.554 -0.312 0.000 2.910 1142 T HA 0.627 4.977 4.350 -0.000 0.000 0.279 1142 T C 1.280 175.924 174.700 -0.093 0.000 0.989 1142 T CA -0.871 61.134 62.100 -0.158 0.000 0.968 1142 T CB 0.873 69.706 68.868 -0.058 0.000 1.135 1142 T HN 0.181 nan 8.240 nan 0.000 0.562 1143 L N 0.656 121.848 121.223 -0.052 0.000 2.056 1143 L HA 0.172 4.512 4.340 -0.000 0.000 0.207 1143 L C 2.660 179.513 176.870 -0.028 0.000 1.078 1143 L CA 1.830 56.647 54.840 -0.038 0.000 0.749 1143 L CB -1.229 40.823 42.059 -0.013 0.000 0.901 1143 L HN 0.895 nan 8.230 nan 0.000 0.433 1144 K N -0.500 119.892 120.400 -0.015 0.000 2.059 1144 K HA -0.224 4.096 4.320 -0.000 0.000 0.212 1144 K C 1.998 178.589 176.600 -0.015 0.000 1.050 1144 K CA 1.889 58.172 56.287 -0.007 0.000 0.927 1144 K CB -0.291 32.211 32.500 0.004 0.000 0.714 1144 K HN 0.577 nan 8.250 nan 0.000 0.447 1145 S N -0.666 115.018 115.700 -0.027 0.000 2.584 1145 S HA -0.050 4.420 4.470 -0.000 0.000 0.240 1145 S C 1.287 175.867 174.600 -0.032 0.000 0.975 1145 S CA 1.034 59.215 58.200 -0.030 0.000 0.949 1145 S CB 0.227 63.398 63.200 -0.049 0.000 0.761 1145 S HN 0.170 nan 8.310 nan 0.000 0.536 1146 V N -0.388 119.506 119.914 -0.033 0.000 3.426 1146 V HA 0.181 4.301 4.120 -0.000 0.000 0.279 1146 V C 0.444 176.524 176.094 -0.024 0.000 1.544 1146 V CA 0.193 62.474 62.300 -0.033 0.000 1.017 1146 V CB 0.042 31.836 31.823 -0.049 0.000 0.821 1146 V HN 0.389 nan 8.190 nan 0.000 0.432 1147 T N 1.838 116.382 114.554 -0.018 0.000 2.794 1147 T HA 0.447 4.797 4.350 -0.000 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 1.740 70.606 68.868 -0.003 0.000 0.905 1147 T HN 0.072 nan 8.240 nan 0.000 0.516 1148 I N 1.466 122.038 120.570 0.003 0.000 2.188 1148 I HA 0.232 4.402 4.170 -0.000 0.000 0.237 1148 I C 1.352 177.477 176.117 0.013 0.000 1.073 1148 I CA 0.565 61.869 61.300 0.008 0.000 1.359 1148 I CB -0.111 37.896 38.000 0.012 0.000 1.083 1148 I HN 0.648 nan 8.210 nan 0.000 0.412 1149 A N -0.232 122.600 122.820 0.020 0.000 2.583 1149 A HA 0.700 5.020 4.320 -0.000 0.000 0.289 1149 A C -0.854 176.751 177.584 0.035 0.000 1.151 1149 A CA -0.233 51.819 52.037 0.026 0.000 0.695 1149 A CB 1.473 20.492 19.000 0.031 0.000 1.290 1149 A HN 0.230 nan 8.150 nan 0.000 0.419 1150 S N -0.438 115.285 115.700 0.040 0.000 2.599 1150 S HA 0.869 5.339 4.470 -0.000 0.000 0.287 1150 S C -0.930 173.714 174.600 0.073 0.000 1.105 1150 S CA -0.540 57.691 58.200 0.052 0.000 0.899 1150 S CB 1.843 65.064 63.200 0.035 0.000 1.100 1150 S HN 0.749 nan 8.310 nan 0.000 0.482 1151 E N 0.311 120.584 120.200 0.121 0.000 2.446 1151 E HA 0.587 4.937 4.350 -0.000 0.000 0.276 1151 E C -1.334 175.387 176.600 0.202 0.000 0.969 1151 E CA -0.882 55.618 56.400 0.166 0.000 0.800 1151 E CB 2.237 32.149 29.700 0.353 0.000 1.341 1151 E HN 0.633 nan 8.360 nan 0.000 0.460 1152 I N 2.488 123.163 120.570 0.175 0.000 2.583 1152 I HA 0.271 4.441 4.170 -0.000 0.000 0.276 1152 I C -1.304 174.991 176.117 0.296 0.000 1.089 1152 I CA -0.551 60.880 61.300 0.220 0.000 1.103 1152 I CB 0.342 38.392 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 4.812 4.550 -0.000 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 0.302 4.852 4.550 -0.000 0.000 0.336 1154 Y C -0.898 175.000 175.900 -0.004 0.000 0.996 1154 Y CA -0.792 57.315 58.100 0.011 0.000 1.260 1154 Y CB 0.158 38.531 38.460 -0.145 0.000 1.108 1154 Y HN 0.497 nan 8.280 nan 0.000 0.509 1155 D N 8.679 128.819 120.400 -0.433 0.000 2.454 1155 D HA 0.240 4.880 4.640 -0.000 0.000 0.247 1155 D C -2.169 173.847 176.300 -0.475 0.000 1.129 1155 D CA -1.723 52.080 54.000 -0.329 0.000 0.877 1155 D CB 2.313 43.035 40.800 -0.131 0.000 1.082 1155 D HN 0.308 nan 8.370 nan 0.000 0.537 1156 P HA 0.034 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 -0.000 0.000 0.218 1157 D C -1.272 175.006 176.300 -0.037 0.000 1.131 1157 D CA -2.530 51.433 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 0.032 0.000 0.765 1158 P CB 0.321 32.052 31.700 0.052 0.000 0.783 1159 R N 0.063 120.585 120.500 0.037 0.000 2.246 1159 R HA 0.109 4.449 4.340 -0.000 0.000 0.199 1159 R C 0.556 176.876 176.300 0.034 0.000 0.984 1159 R CA 0.619 56.744 56.100 0.043 0.000 1.015 1159 R CB 0.206 30.503 30.300 -0.005 0.000 0.930 1159 R HN 0.262 nan 8.270 nan 0.000 0.475 1160 S N -0.491 115.218 115.700 0.015 0.000 2.626 1160 S HA 0.251 4.721 4.470 -0.000 0.000 0.275 1160 S C -0.444 174.152 174.600 -0.007 0.000 1.175 1160 S CA -0.921 57.283 58.200 0.007 0.000 0.982 1160 S CB 2.047 65.247 63.200 -0.001 0.000 1.093 1160 S HN -0.098 nan 8.310 nan 0.000 0.472 1161 T N 2.445 116.992 114.554 -0.012 0.000 2.860 1161 T HA 0.256 4.606 4.350 -0.000 0.000 0.299 1161 T C 1.492 176.178 174.700 -0.023 0.000 1.045 1161 T CA -0.508 61.572 62.100 -0.033 0.000 1.071 1161 T CB 0.948 69.784 68.868 -0.053 0.000 0.985 1161 T HN 0.612 nan 8.240 nan 0.000 0.537 1162 V N 1.227 121.128 119.914 -0.022 0.000 3.306 1162 V HA 0.121 4.241 4.120 -0.000 0.000 0.264 1162 V C 0.801 176.905 176.094 0.018 0.000 1.149 1162 V CA 0.846 63.156 62.300 0.016 0.000 1.143 1162 V CB -0.646 31.212 31.823 0.060 0.000 0.767 1162 V HN 0.644 nan 8.190 nan 0.000 0.476 1163 I N 2.508 123.059 120.570 -0.030 0.000 2.353 1163 I HA 0.216 4.386 4.170 -0.000 0.000 0.293 1163 I C -0.867 175.236 176.117 -0.024 0.000 0.992 1163 I CA -1.736 59.540 61.300 -0.040 0.000 1.268 1163 I CB 1.669 39.584 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 1.255 64.355 63.100 -0.001 0.000 0.812 1164 P CB 0.276 31.981 31.700 0.010 0.000 0.792 1165 E N -0.164 120.029 120.200 -0.012 0.000 2.418 1165 E HA -0.088 4.262 4.350 -0.000 0.000 0.197 1165 E C 0.422 177.011 176.600 -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 29.478 29.700 -0.009 0.000 0.799 1165 E HN 0.316 nan 8.360 nan 0.000 0.518 1166 D N 0.099 120.481 120.400 -0.031 0.000 2.395 1166 D HA 0.032 4.672 4.640 -0.000 0.000 0.213 1166 D C 1.059 177.350 176.300 -0.014 0.000 1.110 1166 D CA 0.038 54.020 54.000 -0.029 0.000 0.835 1166 D CB 0.266 41.032 40.800 -0.056 0.000 0.965 1166 D HN 0.155 nan 8.370 nan 0.000 0.505 1167 E N 1.045 121.239 120.200 -0.010 0.000 2.049 1167 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 1167 E C 1.680 178.282 176.600 0.004 0.000 1.007 1167 E CA 0.960 57.360 56.400 0.000 0.000 0.809 1167 E CB 0.141 29.841 29.700 -0.001 0.000 0.749 1167 E HN 0.344 nan 8.360 nan 0.000 0.450 1168 E N 0.636 120.833 120.200 -0.006 0.000 2.033 1168 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 1168 E C 2.195 178.776 176.600 -0.031 0.000 1.011 1168 E CA 1.287 57.677 56.400 -0.017 0.000 0.815 1168 E CB -0.164 29.522 29.700 -0.023 0.000 0.755 1168 E HN 0.208 nan 8.360 nan 0.000 0.451 1169 I N 1.040 121.591 120.570 -0.032 0.000 2.181 1169 I HA -0.360 3.810 4.170 -0.000 0.000 0.247 1169 I C 2.429 178.551 176.117 0.009 0.000 1.081 1169 I CA 1.212 62.484 61.300 -0.046 0.000 1.340 1169 I CB -0.366 37.639 38.000 0.008 0.000 1.036 1169 I HN 0.263 nan 8.210 nan 0.000 0.417 1170 I N 0.136 120.743 120.570 0.062 0.000 2.202 1170 I HA -0.296 3.874 4.170 -0.000 0.000 0.242 1170 I C 2.630 178.878 176.117 0.218 0.000 1.091 1170 I CA 1.515 62.899 61.300 0.140 0.000 1.368 1170 I CB -0.529 37.542 38.000 0.118 0.000 1.058 1170 I HN 0.357 nan 8.210 nan 0.000 0.410 1171 Q N 0.808 120.697 119.800 0.147 0.000 2.084 1171 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 1171 Q C 2.019 178.130 176.000 0.184 0.000 0.978 1171 Q CA 1.232 57.146 55.803 0.185 0.000 0.844 1171 Q CB -0.211 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 0.960 122.175 121.223 -0.013 0.000 2.749 1172 L HA -0.062 4.278 4.340 -0.000 0.000 0.245 1172 L C 0.536 177.203 176.870 -0.338 0.000 1.156 1172 L CA 0.248 54.994 54.840 -0.157 0.000 0.890 1172 L CB -0.421 41.484 42.059 -0.256 0.000 1.036 1172 L HN 0.245 nan 8.230 nan 0.000 0.441 1173 H N -0.477 118.497 119.070 -0.159 0.000 2.412 1173 H HA 0.260 4.816 4.556 -0.000 0.000 0.239 1173 H C -0.366 174.341 175.328 -1.034 0.000 1.388 1173 H CA -0.194 55.540 56.048 -0.523 0.000 1.148 1173 H CB 0.171 29.571 29.762 -0.603 0.000 1.637 1173 H HN 0.216 nan 8.280 nan 0.000 0.542 1174 F N -0.829 119.147 119.950 0.043 0.000 3.033 1174 F HA 0.029 4.555 4.527 -0.000 0.000 0.332 1174 F C 0.901 176.703 175.800 0.003 0.000 1.266 1174 F CA -0.463 57.552 58.000 0.025 0.000 0.998 1174 F CB 0.206 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 0.357 116.112 115.700 0.091 0.000 2.730 1175 S HA 0.841 5.311 4.470 -0.000 0.000 0.284 1175 S C -0.379 174.238 174.600 0.029 0.000 1.153 1175 S CA -0.603 57.630 58.200 0.054 0.000 0.995 1175 S CB 1.988 65.199 63.200 0.019 0.000 1.058 1175 S HN 0.175 nan 8.310 nan 0.000 0.552 1188 Q N 1.380 121.161 119.800 -0.033 0.000 2.283 1188 Q HA 0.254 4.593 4.340 -0.000 0.000 0.301 1188 Q C -0.365 175.644 176.000 0.015 0.000 1.063 1188 Q CA 0.550 56.354 55.803 0.002 0.000 0.952 1188 Q CB 0.827 29.562 28.738 -0.005 0.000 1.166 1188 Q HN 0.437 nan 8.270 nan 0.000 0.381 1189 S N 2.668 118.395 115.700 0.045 0.000 2.669 1189 S HA 0.360 4.830 4.470 -0.000 0.000 0.270 1189 S C -1.705 172.878 174.600 -0.028 0.000 1.225 1189 S CA -1.510 56.720 58.200 0.050 0.000 0.991 1189 S CB 0.744 64.033 63.200 0.149 0.000 0.987 1189 S HN 0.527 nan 8.310 nan 0.000 0.552 1190 P HA 0.173 nan 4.420 nan 0.000 0.251 1190 P C -0.620 176.390 177.300 -0.484 0.000 1.223 1190 P CA 0.060 62.907 63.100 -0.422 0.000 0.796 1190 P CB -0.045 31.271 31.700 -0.640 0.000 1.068 1191 W N 1.305 122.556 121.300 -0.081 0.000 2.335 1191 W HA 0.397 5.057 4.660 -0.000 0.000 0.306 1191 W C 0.166 176.679 176.519 -0.010 0.000 1.216 1191 W CA -0.881 56.456 57.345 -0.013 0.000 1.237 1191 W CB 0.609 30.103 29.460 0.057 0.000 1.243 1191 W HN -0.145 nan 8.180 nan 0.000 0.493 1192 L N 5.966 127.339 121.223 0.249 0.000 2.282 1192 L HA 0.534 4.873 4.340 -0.000 0.000 0.288 1192 L C -0.931 176.036 176.870 0.163 0.000 1.033 1192 L CA -0.883 54.042 54.840 0.141 0.000 0.807 1192 L CB 0.644 42.735 42.059 0.053 0.000 1.209 1192 L HN 0.345 nan 8.230 nan 0.000 0.423 1193 L N 6.041 127.316 121.223 0.087 0.000 2.275 1193 L HA 0.564 4.904 4.340 -0.000 0.000 0.288 1193 L C -0.587 176.308 176.870 0.043 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 0.010 0.000 1.193 1193 L HN 0.793 nan 8.230 nan 0.000 0.426 1194 R N 5.817 126.362 120.500 0.074 0.000 2.451 1194 R HA 0.594 4.934 4.340 -0.000 0.000 0.307 1194 R C -1.780 174.551 176.300 0.051 0.000 0.965 1194 R CA -0.599 55.525 56.100 0.039 0.000 0.865 1194 R CB 0.925 31.229 30.300 0.008 0.000 1.174 1194 R HN 0.746 nan 8.270 nan 0.000 0.455 1195 L N 2.935 124.174 121.223 0.027 0.000 2.325 1195 L HA 0.503 4.843 4.340 -0.000 0.000 0.278 1195 L C -0.119 176.764 176.870 0.022 0.000 1.023 1195 L CA -0.657 54.199 54.840 0.025 0.000 0.811 1195 L CB 1.867 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 3.426 123.640 120.200 0.024 0.000 2.165 1196 E HA 0.514 4.864 4.350 -0.000 0.000 0.266 1196 E C -1.507 175.099 176.600 0.010 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 2.913 124.137 121.223 0.001 0.000 2.334 1197 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 1197 L C 0.223 177.089 176.870 -0.006 0.000 1.036 1197 L CA -1.040 53.794 54.840 -0.009 0.000 0.807 1197 L CB 1.237 43.280 42.059 -0.026 0.000 1.231 1197 L HN 0.544 nan 8.230 nan 0.000 0.438 1198 D N 1.514 121.909 120.400 -0.009 0.000 2.348 1198 D HA 0.035 4.675 4.640 -0.000 0.000 0.253 1198 D C 0.937 177.231 176.300 -0.010 0.000 1.161 1198 D CA 0.138 54.134 54.000 -0.006 0.000 0.876 1198 D CB 1.158 41.954 40.800 -0.006 0.000 1.160 1198 D HN 0.393 nan 8.370 nan 0.000 0.459 1199 R N 2.807 123.304 120.500 -0.006 0.000 2.237 1199 R HA -0.086 4.254 4.340 -0.000 0.000 0.219 1199 R C 1.580 177.874 176.300 -0.009 0.000 1.080 1199 R CA 1.056 57.151 56.100 -0.008 0.000 0.995 1199 R CB 0.198 30.496 30.300 -0.003 0.000 0.875 1199 R HN 0.525 nan 8.270 nan 0.000 0.462 1200 A N 0.494 123.310 122.820 -0.007 0.000 1.835 1200 A HA 0.002 4.322 4.320 -0.000 0.000 0.213 1200 A C 2.275 179.853 177.584 -0.009 0.000 1.210 1200 A CA 1.187 53.220 52.037 -0.006 0.000 0.605 1200 A CB -0.886 18.112 19.000 -0.003 0.000 0.860 1200 A HN 0.387 nan 8.150 nan 0.000 0.447 1201 A N -0.863 121.951 122.820 -0.011 0.000 1.908 1201 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 1201 A C 2.211 179.781 177.584 -0.023 0.000 1.181 1201 A CA 2.191 54.220 52.037 -0.014 0.000 0.627 1201 A CB -0.584 18.405 19.000 -0.017 0.000 0.818 1201 A HN 0.439 nan 8.150 nan 0.000 0.445 1202 M N -0.138 119.445 119.600 -0.028 0.000 2.108 1202 M HA -0.143 4.337 4.480 -0.000 0.000 0.261 1202 M C 1.858 178.138 176.300 -0.034 0.000 1.066 1202 M CA 1.404 56.681 55.300 -0.038 0.000 1.107 1202 M CB -1.542 31.035 32.600 -0.039 0.000 1.356 1202 M HN 0.455 nan 8.290 nan 0.000 0.406 1203 N N 0.473 119.158 118.700 -0.026 0.000 2.135 1203 N HA -0.149 4.591 4.740 -0.000 0.000 0.186 1203 N C 1.446 176.941 175.510 -0.025 0.000 1.027 1203 N CA 1.181 54.217 53.050 -0.024 0.000 0.849 1203 N CB -0.439 38.038 38.487 -0.018 0.000 1.002 1203 N HN 0.422 nan 8.380 nan 0.000 0.425 1204 D N 1.296 121.686 120.400 -0.016 0.000 2.137 1204 D HA -0.162 4.478 4.640 -0.000 0.000 0.189 1204 D C -0.210 176.078 176.300 -0.020 0.000 0.998 1204 D CA 1.168 55.162 54.000 -0.010 0.000 0.839 1204 D CB 0.080 40.887 40.800 0.012 0.000 0.962 1204 D HN 0.209 nan 8.370 nan 0.000 0.446 1205 K N 2.021 122.410 120.400 -0.018 0.000 2.310 1205 K HA 0.088 4.408 4.320 -0.000 0.000 0.290 1205 K C -0.562 176.012 176.600 -0.043 0.000 1.077 1205 K CA -0.395 55.875 56.287 -0.029 0.000 0.922 1205 K CB 0.799 33.281 32.500 -0.030 0.000 1.057 1205 K HN 0.137 nan 8.250 nan 0.000 0.479 1206 D N 4.194 124.565 120.400 -0.048 0.000 2.661 1206 D HA -0.110 4.530 4.640 -0.000 0.000 0.283 1206 D C -0.241 176.026 176.300 -0.055 0.000 1.470 1206 D CA 1.053 55.022 54.000 -0.051 0.000 1.126 1206 D CB 0.021 40.789 40.800 -0.053 0.000 1.145 1206 D HN 0.330 nan 8.370 nan 0.000 0.572 1207 L N 1.490 122.679 121.223 -0.057 0.000 2.464 1207 L HA 0.248 4.588 4.340 -0.000 0.000 0.266 1207 L C -0.092 176.733 176.870 -0.074 0.000 0.965 1207 L CA -0.472 54.326 54.840 -0.070 0.000 0.833 1207 L CB 2.587 44.599 42.059 -0.077 0.000 1.296 1207 L HN 0.026 nan 8.230 nan 0.000 0.405 1208 T N 3.165 117.665 114.554 -0.089 0.000 2.855 1208 T HA 0.275 4.625 4.350 -0.000 0.000 0.281 1208 T C 1.169 175.771 174.700 -0.163 0.000 1.007 1208 T CA -0.630 61.415 62.100 -0.092 0.000 1.009 1208 T CB 1.694 70.525 68.868 -0.063 0.000 0.983 1208 T HN 0.440 nan 8.240 nan 0.000 0.455 1209 M N 2.157 121.654 119.600 -0.172 0.000 2.113 1209 M HA -0.133 4.347 4.480 -0.000 0.000 0.255 1209 M C 2.526 178.439 176.300 -0.644 0.000 1.073 1209 M CA 2.171 57.267 55.300 -0.339 0.000 1.091 1209 M CB -1.737 30.739 32.600 -0.206 0.000 1.309 1209 M HN 0.855 nan 8.290 nan 0.000 0.407 1210 G N -0.327 108.231 108.800 -0.403 0.000 2.491 1210 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 1210 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 1210 G C 1.438 176.111 174.900 -0.377 0.000 1.180 1210 G CA 1.009 45.898 45.100 -0.351 0.000 0.774 1210 G HN 0.610 nan 8.290 nan 0.000 0.562 1211 Q N -0.095 119.566 119.800 -0.232 0.000 2.077 1211 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 1211 Q C 2.876 178.734 176.000 -0.236 0.000 0.989 1211 Q CA 1.863 57.560 55.803 -0.177 0.000 0.853 1211 Q CB -0.487 28.176 28.738 -0.126 0.000 0.907 1211 Q HN 0.449 nan 8.270 nan 0.000 0.418 1212 V N 0.714 120.444 119.914 -0.306 0.000 2.223 1212 V HA -0.224 3.896 4.120 -0.000 0.000 0.244 1212 V C 2.345 178.214 176.094 -0.374 0.000 1.045 1212 V CA 2.077 64.201 62.300 -0.294 0.000 1.000 1212 V CB -1.642 30.006 31.823 -0.292 0.000 0.635 1212 V HN 0.543 nan 8.190 nan 0.000 0.445 1213 G N -0.691 107.671 108.800 -0.730 0.000 2.513 1213 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.219 1213 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.219 1213 G C 1.493 176.160 174.900 -0.389 0.000 1.160 1213 G CA 1.142 45.729 45.100 -0.856 0.000 0.767 1213 G HN 0.601 nan 8.290 nan 0.000 0.571 1214 E N -0.614 119.379 120.200 -0.346 0.000 2.347 1214 E HA -0.004 4.346 4.350 -0.000 0.000 0.196 1214 E C 2.555 179.135 176.600 -0.034 0.000 1.008 1214 E CA 0.098 56.468 56.400 -0.049 0.000 0.852 1214 E CB 0.112 29.819 29.700 0.011 0.000 0.783 1214 E HN 0.202 nan 8.360 nan 0.000 0.505 1215 R N 0.750 121.200 120.500 -0.085 0.000 2.100 1215 R HA 0.047 4.387 4.340 -0.000 0.000 0.220 1215 R C 1.805 178.101 176.300 -0.008 0.000 1.091 1215 R CA 0.841 56.913 56.100 -0.048 0.000 0.986 1215 R CB -0.177 30.080 30.300 -0.072 0.000 0.888 1215 R HN 0.129 nan 8.270 nan 0.000 0.444 1216 I N 0.239 120.809 120.570 0.000 0.000 2.252 1216 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 1216 I C 2.286 178.537 176.117 0.223 0.000 1.102 1216 I CA 1.257 62.627 61.300 0.117 0.000 1.385 1216 I CB -0.309 37.742 38.000 0.085 0.000 1.064 1216 I HN 0.164 nan 8.210 nan 0.000 0.414 1217 K N 1.175 121.668 120.400 0.154 0.000 1.991 1217 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 1217 K C 1.958 178.662 176.600 0.172 0.000 1.049 1217 K CA 1.891 58.293 56.287 0.192 0.000 0.932 1217 K CB -0.164 32.445 32.500 0.182 0.000 0.717 1217 K HN 0.430 nan 8.250 nan 0.000 0.441 1218 Q N -0.388 119.473 119.800 0.101 0.000 2.547 1218 Q HA -0.029 4.311 4.340 -0.000 0.000 0.217 1218 Q C 0.535 176.545 176.000 0.015 0.000 0.978 1218 Q CA 0.941 56.780 55.803 0.060 0.000 0.962 1218 Q CB 0.342 29.101 28.738 0.034 0.000 0.990 1218 Q HN 0.124 nan 8.270 nan 0.000 0.538 1219 T N -0.266 114.293 114.554 0.007 0.000 3.045 1219 T HA 0.119 4.469 4.350 -0.000 0.000 0.239 1219 T C 0.295 174.824 174.700 -0.284 0.000 1.008 1219 T CA 0.321 62.306 62.100 -0.193 0.000 1.143 1219 T CB 0.048 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 1.906 121.873 119.950 0.028 0.000 2.645 1220 F HA 0.428 4.955 4.527 -0.000 0.000 0.300 1220 F C 1.336 177.161 175.800 0.041 0.000 1.115 1220 F CA -0.819 57.202 58.000 0.035 0.000 1.355 1220 F CB -0.467 38.559 39.000 0.043 0.000 1.026 1220 F HN -0.007 nan 8.300 nan 0.000 0.536 1221 K N 0.438 120.934 120.400 0.160 0.000 4.362 1221 K HA -0.368 3.952 4.320 -0.000 0.000 0.360 1221 K C 0.057 176.737 176.600 0.134 0.000 0.683 1221 K CA 2.409 58.766 56.287 0.117 0.000 1.248 1221 K CB -0.800 31.742 32.500 0.069 0.000 0.915 1221 K HN 0.227 nan 8.250 nan 0.000 0.740 1222 N N 0.720 119.493 118.700 0.121 0.000 2.648 1222 N HA 0.158 4.898 4.740 -0.000 0.000 0.261 1222 N C -1.785 173.786 175.510 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 1.679 122.151 120.400 0.121 0.000 4.386 1223 D HA 0.004 4.644 4.640 -0.000 0.000 0.140 1223 D C -1.182 175.172 176.300 0.089 0.000 0.722 1223 D CA -0.289 53.772 54.000 0.102 0.000 0.660 1223 D CB -0.981 39.886 40.800 0.112 0.000 1.649 1223 D HN 0.274 nan 8.370 nan 0.000 0.401 1224 L N 0.635 121.910 121.223 0.087 0.000 2.830 1224 L HA 0.624 4.964 4.340 -0.000 0.000 0.259 1224 L C -2.432 174.518 176.870 0.135 0.000 0.926 1224 L CA -0.722 54.132 54.840 0.023 0.000 0.993 1224 L CB 1.619 43.556 42.059 -0.203 0.000 1.589 1224 L HN -0.029 nan 8.230 nan 0.000 0.460 1225 F N 5.363 125.281 119.950 -0.054 0.000 2.422 1225 F HA 0.882 5.409 4.527 -0.000 0.000 0.333 1225 F C -0.843 174.930 175.800 -0.044 0.000 1.095 1225 F CA -0.725 57.249 58.000 -0.043 0.000 1.038 1225 F CB 1.670 40.639 39.000 -0.052 0.000 1.156 1225 F HN 0.290 nan 8.300 nan 0.000 0.483 1226 V N 6.463 126.074 119.914 -0.504 0.000 2.876 1226 V HA 0.620 4.740 4.120 -0.000 0.000 0.312 1226 V C -0.427 175.204 176.094 -0.772 0.000 1.085 1226 V CA -0.861 61.163 62.300 -0.459 0.000 0.945 1226 V CB 2.105 33.922 31.823 -0.011 0.000 1.017 1226 V HN 0.690 nan 8.190 nan 0.000 0.428 1227 I N 2.311 122.577 120.570 -0.506 0.000 2.918 1227 I HA 0.636 4.806 4.170 -0.000 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 2.623 40.136 38.000 -0.812 0.000 1.281 1227 I HN 0.942 nan 8.210 nan 0.000 0.440 1228 W N 2.283 123.496 121.300 -0.144 0.000 2.988 1228 W HA 0.738 5.398 4.660 -0.000 0.000 0.355 1228 W C -1.272 175.300 176.519 0.089 0.000 1.233 1228 W CA -0.936 56.394 57.345 -0.026 0.000 1.176 1228 W CB 0.158 29.591 29.460 -0.044 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 0.321 0.000 2.646 1229 S HA 0.452 4.922 4.470 -0.000 0.000 0.276 1229 S C -0.365 174.393 174.600 0.263 0.000 1.222 1229 S CA -0.881 57.425 58.200 0.176 0.000 1.014 1229 S CB 1.414 64.677 63.200 0.106 0.000 0.991 1229 S HN 0.527 nan 8.310 nan 0.000 0.533 1230 E N 0.696 120.970 120.200 0.123 0.000 2.354 1230 E HA 0.063 4.413 4.350 -0.000 0.000 0.269 1230 E C 0.170 176.832 176.600 0.103 0.000 1.036 1230 E CA -0.372 56.105 56.400 0.129 0.000 0.876 1230 E CB 0.415 30.139 29.700 0.041 0.000 1.009 1230 E HN 0.589 nan 8.360 nan 0.000 0.416 1231 D N 2.042 122.499 120.400 0.097 0.000 2.322 1231 D HA -0.190 4.450 4.640 -0.000 0.000 0.210 1231 D C 1.026 177.345 176.300 0.032 0.000 0.983 1231 D CA 0.826 54.857 54.000 0.051 0.000 0.902 1231 D CB 0.162 40.982 40.800 0.033 0.000 0.905 1231 D HN 0.363 nan 8.370 nan 0.000 0.483 1232 N N 0.859 119.578 118.700 0.031 0.000 2.135 1232 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 1232 N C 0.334 175.853 175.510 0.015 0.000 1.027 1232 N CA 0.562 53.622 53.050 0.017 0.000 0.849 1232 N CB 0.084 38.577 38.487 0.011 0.000 1.002 1232 N HN 0.168 nan 8.380 nan 0.000 0.425 1233 D N 0.905 121.316 120.400 0.018 0.000 2.429 1233 D HA -0.110 4.530 4.640 -0.000 0.000 0.233 1233 D C 1.196 177.505 176.300 0.015 0.000 1.202 1233 D CA 0.383 54.392 54.000 0.014 0.000 0.879 1233 D CB 0.500 41.311 40.800 0.018 0.000 1.212 1233 D HN 0.455 nan 8.370 nan 0.000 0.465 1234 E N 0.277 120.483 120.200 0.011 0.000 2.482 1234 E HA -0.056 4.294 4.350 -0.000 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 0.011 0.000 0.869 1234 E CB 0.208 29.913 29.700 0.008 0.000 0.836 1234 E HN 0.171 nan 8.360 nan 0.000 0.520 1235 K N 1.658 122.068 120.400 0.017 0.000 2.621 1235 K HA 0.298 4.618 4.320 -0.000 0.000 0.233 1235 K C -0.947 175.670 176.600 0.028 0.000 0.972 1235 K CA -0.411 55.887 56.287 0.019 0.000 0.988 1235 K CB 1.505 34.014 32.500 0.016 0.000 1.187 1235 K HN 0.102 nan 8.250 nan 0.000 0.471 1236 L N 5.224 126.464 121.223 0.027 0.000 2.565 1236 L HA 0.219 4.559 4.340 -0.000 0.000 0.275 1236 L C 0.082 176.976 176.870 0.040 0.000 1.137 1236 L CA 0.401 55.264 54.840 0.039 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 4.171 124.782 120.570 0.068 0.000 2.785 1237 I HA 0.519 4.689 4.170 -0.000 0.000 0.302 1237 I C -0.337 175.842 176.117 0.103 0.000 1.069 1237 I CA -0.568 60.767 61.300 0.057 0.000 1.045 1237 I CB 2.834 40.852 38.000 0.030 0.000 1.236 1237 I HN 0.395 nan 8.210 nan 0.000 0.429 1238 I N 3.986 124.595 120.570 0.066 0.000 2.499 1238 I HA 0.463 4.633 4.170 -0.000 0.000 0.288 1238 I C -0.742 175.382 176.117 0.012 0.000 1.048 1238 I CA -0.636 60.715 61.300 0.086 0.000 1.062 1238 I CB 2.029 40.061 38.000 0.053 0.000 1.238 1238 I HN 0.450 nan 8.210 nan 0.000 0.426 1239 R N 4.437 124.917 120.500 -0.034 0.000 2.562 1239 R HA 0.802 5.142 4.340 -0.000 0.000 0.298 1239 R C -1.401 174.813 176.300 -0.143 0.000 0.961 1239 R CA -0.504 55.543 56.100 -0.089 0.000 0.881 1239 R CB 2.121 32.351 30.300 -0.117 0.000 1.159 1239 R HN 0.602 nan 8.270 nan 0.000 0.450 1240 C N 1.168 120.408 119.300 -0.100 0.000 2.994 1240 C HA 0.671 5.131 4.460 -0.000 0.000 0.304 1240 C C -0.603 174.368 174.990 -0.032 0.000 1.273 1240 C CA -1.088 57.864 59.018 -0.109 0.000 1.537 1240 C CB 2.116 29.785 27.740 -0.119 0.000 2.001 1240 C HN 0.841 nan 8.230 nan 0.000 0.471 1241 R N 0.670 121.178 120.500 0.012 0.000 2.604 1241 R HA 0.621 4.961 4.340 -0.000 0.000 0.270 1241 R C -0.902 175.439 176.300 0.069 0.000 1.052 1241 R CA -0.551 55.595 56.100 0.076 0.000 0.902 1241 R CB 1.607 31.986 30.300 0.131 0.000 1.233 1241 R HN 0.519 nan 8.270 nan 0.000 0.455 1242 V N 1.285 121.239 119.914 0.067 0.000 3.816 1242 V HA 0.407 4.527 4.120 -0.000 0.000 0.281 1242 V C 0.412 176.546 176.094 0.067 0.000 1.027 1242 V CA -0.231 62.100 62.300 0.052 0.000 1.032 1242 V CB 1.068 32.932 31.823 0.067 0.000 1.226 1242 V HN 0.573 nan 8.190 nan 0.000 0.448 1255 E N 0.098 120.351 120.200 0.088 0.000 6.582 1255 E HA -0.133 4.217 4.350 -0.000 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 1.294 121.519 120.200 0.043 0.000 2.288 1256 E HA -0.033 4.317 4.350 -0.000 0.000 0.200 1256 E C 1.017 177.487 176.600 -0.217 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 1.086 121.203 120.400 -0.472 0.000 2.172 1257 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 1257 D C 1.777 177.912 176.300 -0.275 0.000 0.999 1257 D CA 1.200 54.862 54.000 -0.564 0.000 0.856 1257 D CB -0.151 40.302 40.800 -0.579 0.000 0.934 1257 D HN 0.238 nan 8.370 nan 0.000 0.453 1258 H N 0.251 119.213 119.070 -0.179 0.000 2.299 1258 H HA 0.066 4.622 4.556 -0.000 0.000 0.302 1258 H C 2.356 177.640 175.328 -0.074 0.000 1.078 1258 H CA 0.816 56.802 56.048 -0.102 0.000 1.323 1258 H CB -0.081 29.643 29.762 -0.064 0.000 1.381 1258 H HN 0.134 nan 8.280 nan 0.000 0.498 1259 M N -0.097 119.557 119.600 0.091 0.000 2.159 1259 M HA -0.169 4.310 4.480 -0.000 0.000 0.263 1259 M C 1.770 178.076 176.300 0.009 0.000 1.063 1259 M CA 0.828 56.162 55.300 0.057 0.000 1.110 1259 M CB -0.170 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 0.157 121.351 121.223 -0.048 0.000 2.693 1260 L HA -0.036 4.304 4.340 -0.000 0.000 0.242 1260 L C 1.391 178.221 176.870 -0.067 0.000 1.157 1260 L CA 1.248 56.049 54.840 -0.064 0.000 0.929 1260 L CB -0.560 41.443 42.059 -0.093 0.000 1.103 1260 L HN 0.113 nan 8.230 nan 0.000 0.430 1261 K N -1.954 118.415 120.400 -0.051 0.000 2.567 1261 K HA 0.139 4.459 4.320 -0.000 0.000 0.199 1261 K C 1.630 178.231 176.600 0.002 0.000 1.412 1261 K CA -0.055 56.201 56.287 -0.052 0.000 1.020 1261 K CB 0.488 32.914 32.500 -0.124 0.000 1.487 1261 K HN 0.052 nan 8.250 nan 0.000 0.531 1262 K N 1.041 121.466 120.400 0.042 0.000 2.283 1262 K HA 0.028 4.348 4.320 -0.000 0.000 0.202 1262 K C 1.777 178.432 176.600 0.091 0.000 1.048 1262 K CA 0.989 57.322 56.287 0.078 0.000 0.948 1262 K CB 0.123 32.690 32.500 0.111 0.000 0.742 1262 K HN 0.127 nan 8.250 nan 0.000 0.458 1263 I N 0.442 121.061 120.570 0.081 0.000 2.585 1263 I HA -0.164 4.006 4.170 -0.000 0.000 0.254 1263 I C 2.397 178.568 176.117 0.090 0.000 1.129 1263 I CA 0.641 62.011 61.300 0.117 0.000 1.455 1263 I CB -0.074 37.929 38.000 0.005 0.000 1.111 1263 I HN 0.133 nan 8.210 nan 0.000 0.433 1264 E N 1.702 121.923 120.200 0.035 0.000 2.130 1264 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 1264 E C 1.777 178.407 176.600 0.049 0.000 0.998 1264 E CA 1.819 58.235 56.400 0.027 0.000 0.806 1264 E CB -0.186 29.516 29.700 0.004 0.000 0.738 1264 E HN 0.354 nan 8.360 nan 0.000 0.459 1265 N N -0.622 118.110 118.700 0.054 0.000 2.220 1265 N HA -0.029 4.711 4.740 -0.000 0.000 0.182 1265 N C 1.642 177.196 175.510 0.073 0.000 1.023 1265 N CA 1.686 54.768 53.050 0.053 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 2.226 116.843 114.554 0.105 0.000 2.699 1266 T HA -0.142 4.208 4.350 -0.000 0.000 0.268 1266 T C 2.066 176.837 174.700 0.119 0.000 1.036 1266 T CA 1.162 63.328 62.100 0.110 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 0.372 120.084 119.600 0.186 0.000 2.126 1267 M HA -0.052 4.428 4.480 -0.000 0.000 0.259 1267 M C 2.414 178.760 176.300 0.078 0.000 1.073 1267 M CA 1.758 57.157 55.300 0.164 0.000 1.103 1267 M CB -0.838 31.856 32.600 0.156 0.000 1.284 1267 M HN 0.207 nan 8.290 nan 0.000 0.420 1268 L N -0.328 120.931 121.223 0.059 0.000 2.021 1268 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 1268 L C 2.046 178.934 176.870 0.030 0.000 1.074 1268 L CA 1.725 56.586 54.840 0.034 0.000 0.760 1268 L CB -0.728 41.349 42.059 0.029 0.000 0.889 1268 L HN 0.466 nan 8.230 nan 0.000 0.433 1269 E N -1.797 118.425 120.200 0.036 0.000 2.413 1269 E HA 0.018 4.368 4.350 -0.000 0.000 0.203 1269 E C 1.561 178.184 176.600 0.038 0.000 0.957 1269 E CA -0.093 56.329 56.400 0.037 0.000 0.950 1269 E CB 0.298 30.017 29.700 0.033 0.000 0.957 1269 E HN 0.452 nan 8.360 nan 0.000 0.497 1270 N N 0.863 119.579 118.700 0.027 0.000 2.436 1270 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 1270 N C 0.677 176.187 175.510 0.000 0.000 1.026 1270 N CA 0.258 53.314 53.050 0.011 0.000 0.880 1270 N CB 0.680 39.160 38.487 -0.012 0.000 1.061 1270 N HN 0.069 nan 8.380 nan 0.000 0.434 1271 I N 2.352 122.917 120.570 -0.009 0.000 2.664 1271 I HA -0.055 4.115 4.170 -0.000 0.000 0.284 1271 I C -0.051 176.057 176.117 -0.015 0.000 1.154 1271 I CA 0.567 61.852 61.300 -0.025 0.000 1.402 1271 I CB 0.228 38.223 38.000 -0.009 0.000 1.395 1271 I HN -0.148 nan 8.210 nan 0.000 0.545 1272 T N 7.962 122.507 114.554 -0.014 0.000 2.747 1272 T HA 0.179 4.529 4.350 -0.000 0.000 0.301 1272 T C 1.160 175.825 174.700 -0.059 0.000 0.952 1272 T CA -0.572 61.516 62.100 -0.020 0.000 0.983 1272 T CB 0.948 69.842 68.868 0.044 0.000 0.930 1272 T HN 0.308 nan 8.240 nan 0.000 0.494 1273 L N 2.766 123.932 121.223 -0.096 0.000 2.046 1273 L HA 0.186 4.526 4.340 -0.000 0.000 0.208 1273 L C 1.357 178.174 176.870 -0.089 0.000 1.077 1273 L CA 1.618 56.401 54.840 -0.095 0.000 0.747 1273 L CB -0.659 41.334 42.059 -0.110 0.000 0.896 1273 L HN 0.572 nan 8.230 nan 0.000 0.432 1274 R N -2.784 117.653 120.500 -0.105 0.000 2.774 1274 R HA 0.468 4.808 4.340 -0.000 0.000 0.279 1274 R C -0.677 175.583 176.300 -0.066 0.000 1.022 1274 R CA -0.015 56.041 56.100 -0.073 0.000 0.855 1274 R CB 0.555 30.812 30.300 -0.072 0.000 1.279 1274 R HN 0.163 nan 8.270 nan 0.000 0.485 1275 G N 0.364 109.166 108.800 0.003 0.000 2.698 1275 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.225 1275 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.225 1275 G C -1.470 173.497 174.900 0.111 0.000 1.345 1275 G CA -0.390 44.746 45.100 0.059 0.000 0.871 1275 G HN 0.571 nan 8.290 nan 0.000 0.540 1276 V N 1.070 121.058 119.914 0.123 0.000 2.667 1276 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 1276 V C 0.777 176.895 176.094 0.040 0.000 1.048 1276 V CA 0.026 62.370 62.300 0.073 0.000 0.928 1276 V CB 1.608 33.449 31.823 0.031 0.000 1.004 1276 V HN 1.133 nan 8.190 nan 0.000 0.444 1277 E N 3.498 123.657 120.200 -0.068 0.000 2.404 1277 E HA 0.208 4.558 4.350 -0.000 0.000 0.261 1277 E C 0.242 176.710 176.600 -0.221 0.000 1.074 1277 E CA -0.114 56.114 56.400 -0.285 0.000 0.917 1277 E CB 0.258 29.835 29.700 -0.204 0.000 0.965 1277 E HN 0.646 nan 8.360 nan 0.000 0.433 1278 N N 0.090 118.615 118.700 -0.292 0.000 2.884 1278 N HA -0.216 4.524 4.740 -0.000 0.000 0.210 1278 N C -0.167 175.294 175.510 -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 37.084 38.487 -0.094 0.000 0.965 1278 N HN 0.605 nan 8.380 nan 0.000 0.591 1279 I N 2.890 123.429 120.570 -0.052 0.000 2.311 1279 I HA 0.018 4.188 4.170 -0.000 0.000 0.297 1279 I C 1.501 177.652 176.117 0.057 0.000 1.131 1279 I CA 0.282 61.589 61.300 0.011 0.000 1.289 1279 I CB 0.268 38.286 38.000 0.031 0.000 1.446 1279 I HN 0.143 nan 8.210 nan 0.000 0.524 1280 E N 5.367 125.591 120.200 0.040 0.000 2.013 1280 E HA 0.070 4.420 4.350 -0.000 0.000 0.194 1280 E C 0.800 177.426 176.600 0.044 0.000 0.973 1280 E CA 0.446 56.881 56.400 0.058 0.000 0.842 1280 E CB 0.212 29.931 29.700 0.032 0.000 0.801 1280 E HN 0.514 nan 8.360 nan 0.000 0.476 1281 R N 0.203 120.714 120.500 0.018 0.000 2.668 1281 R HA 0.466 4.806 4.340 -0.000 0.000 0.268 1281 R C -0.840 175.477 176.300 0.028 0.000 1.232 1281 R CA -0.284 55.816 56.100 -0.001 0.000 1.166 1281 R CB 0.827 31.113 30.300 -0.023 0.000 1.179 1281 R HN 0.025 nan 8.270 nan 0.000 0.606 1282 V N 0.734 120.672 119.914 0.041 0.000 2.859 1282 V HA 0.114 4.234 4.120 -0.000 0.000 0.276 1282 V C -1.211 174.964 176.094 0.134 0.000 1.496 1282 V CA -0.741 61.604 62.300 0.075 0.000 0.929 1282 V CB 2.064 33.935 31.823 0.079 0.000 1.147 1282 V HN 0.419 nan 8.190 nan 0.000 0.449 1283 V N 5.251 125.229 119.914 0.108 0.000 2.769 1283 V HA 0.600 4.720 4.120 -0.000 0.000 0.312 1283 V C -0.096 176.070 176.094 0.120 0.000 1.061 1283 V CA -0.728 61.664 62.300 0.153 0.000 0.931 1283 V CB 2.277 34.169 31.823 0.115 0.000 1.010 1283 V HN 0.821 nan 8.190 nan 0.000 0.433 1284 M N 5.013 124.709 119.600 0.160 0.000 2.088 1284 M HA 0.546 5.026 4.480 -0.000 0.000 0.346 1284 M C -0.892 175.620 176.300 0.354 0.000 1.111 1284 M CA -0.028 55.408 55.300 0.227 0.000 1.017 1284 M CB 1.206 33.896 32.600 0.151 0.000 1.568 1284 M HN 0.423 nan 8.290 nan 0.000 0.445 1285 M N 2.339 122.078 119.600 0.232 0.000 2.535 1285 M HA 0.408 4.888 4.480 -0.000 0.000 0.314 1285 M C -0.543 175.691 176.300 -0.110 0.000 1.153 1285 M CA -0.553 54.820 55.300 0.121 0.000 0.924 1285 M CB 2.365 35.053 32.600 0.147 0.000 1.710 1285 M HN 0.515 nan 8.290 nan 0.000 0.451 1286 K N 2.244 122.460 120.400 -0.307 0.000 2.244 1286 K HA 0.338 4.658 4.320 -0.000 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 -0.564 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 -0.021 4.528 4.550 -0.000 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 0.431 nan 8.280 nan 0.000 0.590 1288 D N 2.206 122.629 120.400 0.037 0.000 2.193 1288 D HA 0.271 4.911 4.640 -0.000 0.000 0.244 1288 D C -0.748 175.585 176.300 0.055 0.000 1.064 1288 D CA -0.363 53.645 54.000 0.013 0.000 0.845 1288 D CB 1.680 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 0.203 4.543 4.340 -0.000 0.000 0.291 1289 R C -0.715 175.638 176.300 0.088 0.000 1.046 1289 R CA -0.690 55.463 56.100 0.088 0.000 0.914 1289 R CB 1.452 31.820 30.300 0.115 0.000 1.191 1289 R HN 0.238 nan 8.270 nan 0.000 0.435 1290 K N 2.207 122.673 120.400 0.110 0.000 2.295 1290 K HA 0.382 4.702 4.320 -0.000 0.000 0.270 1290 K C -0.772 175.970 176.600 0.236 0.000 1.011 1290 K CA -0.326 56.070 56.287 0.182 0.000 0.953 1290 K CB 1.494 34.111 32.500 0.194 0.000 0.956 1290 K HN 0.240 nan 8.250 nan 0.000 0.477 1291 V N 3.598 123.627 119.914 0.192 0.000 2.817 1291 V HA 0.184 4.304 4.120 -0.000 0.000 0.303 1291 V C -2.567 173.357 176.094 -0.284 0.000 1.151 1291 V CA -1.978 60.317 62.300 -0.008 0.000 0.929 1291 V CB 2.034 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 0.128 nan 4.420 nan 0.000 0.263 1292 P C -0.346 176.775 177.300 -0.297 0.000 1.195 1292 P CA 0.582 63.282 63.100 -0.668 0.000 0.762 1292 P CB 0.608 31.949 31.700 -0.598 0.000 0.799 1293 S N 5.025 120.597 115.700 -0.213 0.000 2.646 1293 S HA 0.360 4.830 4.470 -0.000 0.000 0.276 1293 S C -1.146 173.395 174.600 -0.100 0.000 1.222 1293 S CA -1.875 56.256 58.200 -0.114 0.000 1.014 1293 S CB 0.116 63.276 63.200 -0.066 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 1.302 178.572 177.300 -0.049 0.000 1.148 1294 P CA 1.594 64.660 63.100 -0.057 0.000 0.834 1294 P CB -0.419 31.258 31.700 -0.039 0.000 0.783 1295 T N -3.102 111.429 114.554 -0.038 0.000 3.160 1295 T HA 0.257 4.607 4.350 -0.000 0.000 0.257 1295 T C 1.402 176.088 174.700 -0.022 0.000 1.147 1295 T CA 1.430 63.517 62.100 -0.021 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 0.725 109.494 108.800 -0.052 0.000 2.493 1296 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.206 1296 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.206 1296 G C -0.195 174.678 174.900 -0.044 0.000 1.109 1296 G CA -0.121 44.948 45.100 -0.053 0.000 0.689 1296 G HN 0.627 nan 8.290 nan 0.000 0.516 1297 E N 0.529 120.728 120.200 -0.002 0.000 2.404 1297 E HA 0.523 4.873 4.350 -0.000 0.000 0.261 1297 E C -0.438 176.175 176.600 0.022 0.000 1.074 1297 E CA -0.274 56.157 56.400 0.053 0.000 0.917 1297 E CB 0.416 30.150 29.700 0.057 0.000 0.965 1297 E HN 0.401 nan 8.360 nan 0.000 0.433 1298 Y N 0.612 120.913 120.300 0.003 0.000 2.319 1298 Y HA 0.302 4.852 4.550 -0.000 0.000 0.328 1298 Y C 0.245 176.146 175.900 0.001 0.000 1.133 1298 Y CA -0.263 57.837 58.100 0.001 0.000 1.265 1298 Y CB 0.701 39.163 38.460 0.004 0.000 1.218 1298 Y HN 0.211 nan 8.280 nan 0.000 0.508 1299 V N 3.007 122.983 119.914 0.102 0.000 3.182 1299 V HA 0.460 4.580 4.120 -0.000 0.000 0.311 1299 V C -0.858 175.280 176.094 0.074 0.000 1.221 1299 V CA -1.631 60.709 62.300 0.066 0.000 1.060 1299 V CB 2.191 34.026 31.823 0.020 0.000 1.164 1299 V HN 0.500 nan 8.190 nan 0.000 0.466 1300 K N 1.769 122.197 120.400 0.046 0.000 2.389 1300 K HA 0.415 4.735 4.320 -0.000 0.000 0.261 1300 K C -0.734 175.881 176.600 0.025 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 5.393 125.610 120.200 0.029 0.000 2.173 1301 E HA 0.170 4.520 4.350 -0.000 0.000 0.249 1301 E C -2.195 174.414 176.600 0.017 0.000 0.923 1301 E CA -2.217 54.195 56.400 0.020 0.000 0.754 1301 E CB 0.766 30.479 29.700 0.021 0.000 1.177 1301 E HN 0.312 nan 8.360 nan 0.000 0.430 1302 P HA -0.060 nan 4.420 nan 0.000 0.267 1302 P C -0.921 176.340 177.300 -0.066 0.000 1.200 1302 P CA 0.358 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 1.065 121.216 120.200 -0.082 0.000 2.356 1303 E HA 0.407 4.757 4.350 -0.000 0.000 0.275 1303 E C -1.417 175.081 176.600 -0.171 0.000 0.904 1303 E CA -1.008 55.361 56.400 -0.051 0.000 0.757 1303 E CB 0.738 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 -0.000 0.000 0.321 1304 W C -0.554 175.889 176.519 -0.126 0.000 1.293 1304 W CA -0.108 57.216 57.345 -0.036 0.000 1.204 1304 W CB 1.306 30.750 29.460 -0.026 0.000 1.167 1304 W HN 0.260 nan 8.180 nan 0.000 0.553 1305 V N 4.706 124.583 119.914 -0.062 0.000 2.888 1305 V HA 0.397 4.517 4.120 -0.000 0.000 0.309 1305 V C -0.449 175.476 176.094 -0.281 0.000 1.114 1305 V CA -1.230 60.832 62.300 -0.396 0.000 0.940 1305 V CB 1.885 33.074 31.823 -1.056 0.000 1.021 1305 V HN 0.273 nan 8.190 nan 0.000 0.426 1306 L N 3.465 124.536 121.223 -0.253 0.000 2.282 1306 L HA 0.601 4.941 4.340 -0.000 0.000 0.288 1306 L C -0.019 176.760 176.870 -0.151 0.000 1.033 1306 L CA -0.407 54.357 54.840 -0.127 0.000 0.807 1306 L CB 1.601 43.625 42.059 -0.057 0.000 1.209 1306 L HN 0.637 nan 8.230 nan 0.000 0.423 1307 E N 1.359 121.514 120.200 -0.075 0.000 2.214 1307 E HA 0.454 4.804 4.350 -0.000 0.000 0.274 1307 E C -0.767 175.842 176.600 0.014 0.000 0.977 1307 E CA -0.396 55.991 56.400 -0.021 0.000 0.827 1307 E CB 2.219 31.941 29.700 0.037 0.000 1.130 1307 E HN 0.407 nan 8.360 nan 0.000 0.394 1308 T N 1.238 115.808 114.554 0.026 0.000 2.912 1308 T HA 0.250 4.600 4.350 -0.000 0.000 0.288 1308 T C -1.063 173.656 174.700 0.032 0.000 1.030 1308 T CA -0.750 61.368 62.100 0.029 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 2.058 122.474 120.400 0.026 0.000 2.863 1309 D HA 0.499 5.139 4.640 -0.000 0.000 0.323 1309 D C 0.103 176.412 176.300 0.015 0.000 1.286 1309 D CA 0.025 54.038 54.000 0.022 0.000 0.921 1309 D CB 0.607 41.416 40.800 0.016 0.000 1.024 1309 D HN 0.826 nan 8.370 nan 0.000 0.505 1310 G N -0.781 108.027 108.800 0.013 0.000 2.351 1310 G HA2 0.239 4.199 3.960 -0.000 0.000 0.296 1310 G HA3 0.239 4.199 3.960 -0.000 0.000 0.296 1310 G C -1.616 173.282 174.900 -0.004 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 2.047 121.953 119.914 -0.014 0.000 2.628 1311 V HA 0.834 4.954 4.120 -0.000 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 -0.018 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 3.841 122.528 118.700 -0.021 0.000 3.211 1312 N HA 0.044 4.784 4.740 -0.000 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 0.913 39.385 38.487 -0.026 0.000 1.611 1312 N HN 0.489 nan 8.380 nan 0.000 0.610 1313 L N 2.340 123.556 121.223 -0.012 0.000 1.970 1313 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 1313 L C 2.332 179.205 176.870 0.005 0.000 1.071 1313 L CA 2.795 57.635 54.840 -0.001 0.000 0.751 1313 L CB -1.049 41.005 42.059 -0.008 0.000 0.889 1313 L HN 0.573 nan 8.230 nan 0.000 0.432 1314 S N -1.158 114.541 115.700 -0.001 0.000 2.422 1314 S HA -0.344 4.125 4.470 -0.000 0.000 0.241 1314 S C 1.776 176.379 174.600 0.005 0.000 1.076 1314 S CA 2.083 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 0.047 120.249 120.200 0.003 0.000 2.364 1315 E HA 0.132 4.482 4.350 -0.000 0.000 0.196 1315 E C 1.921 178.528 176.600 0.012 0.000 0.990 1315 E CA 0.504 56.907 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 1.202 121.125 119.914 0.016 0.000 2.591 1316 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 1316 V C 2.215 178.327 176.094 0.031 0.000 1.053 1316 V CA 1.227 63.541 62.300 0.023 0.000 1.068 1316 V CB -0.383 31.456 31.823 0.026 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 0.035 0.000 2.065 1317 M HA -0.216 4.264 4.480 -0.000 0.000 0.259 1317 M C 2.525 178.845 176.300 0.034 0.000 1.069 1317 M CA 2.520 57.846 55.300 0.042 0.000 1.110 1317 M CB -1.067 31.556 32.600 0.039 0.000 1.328 1317 M HN 0.524 nan 8.290 nan 0.000 0.405 1318 T N 0.383 114.952 114.554 0.025 0.000 2.822 1318 T HA -0.068 4.282 4.350 -0.000 0.000 0.270 1318 T C 0.739 175.450 174.700 0.019 0.000 1.064 1318 T CA 0.509 62.621 62.100 0.020 0.000 1.131 1318 T CB -0.713 68.164 68.868 0.014 0.000 0.858 1318 T HN 0.133 nan 8.240 nan 0.000 0.483 1319 V N 4.724 124.650 119.914 0.020 0.000 2.814 1319 V HA 0.170 4.290 4.120 -0.000 0.000 0.307 1319 V C -1.382 174.723 176.094 0.018 0.000 1.089 1319 V CA -1.085 61.225 62.300 0.016 0.000 1.212 1319 V CB 0.359 32.192 31.823 0.017 0.000 0.912 1319 V HN 0.520 nan 8.190 nan 0.000 0.497 1320 P HA 0.302 nan 4.420 nan 0.000 0.277 1320 P C 0.867 178.174 177.300 0.011 0.000 1.271 1320 P CA 0.698 63.805 63.100 0.011 0.000 0.795 1320 P CB 1.046 32.745 31.700 -0.000 0.000 1.101 1321 G N 0.591 109.400 108.800 0.015 0.000 2.674 1321 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.236 1321 G HA3 -0.308 3.652 3.960 -0.000 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 0.017 0.000 0.721 1321 G HN 0.841 nan 8.290 nan 0.000 0.515 1322 I N -0.372 120.230 120.570 0.053 0.000 2.882 1322 I HA 0.567 4.737 4.170 -0.000 0.000 0.286 1322 I C -0.157 176.016 176.117 0.093 0.000 1.139 1322 I CA -0.250 61.098 61.300 0.080 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 -0.000 0.000 0.219 1323 D C -1.563 174.796 176.300 0.098 0.000 1.126 1323 D CA -2.452 51.609 54.000 0.102 0.000 0.890 1323 D CB 1.150 42.012 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 0.623 63.764 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 0.154 114.733 114.554 0.043 0.000 2.904 1325 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 1325 T C 1.771 176.476 174.700 0.008 0.000 1.059 1325 T CA 1.164 63.276 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 -0.237 120.265 120.500 0.003 0.000 2.307 1326 R HA 0.399 4.739 4.340 -0.000 0.000 0.200 1326 R C 0.816 177.187 176.300 0.118 0.000 0.893 1326 R CA -0.258 55.801 56.100 -0.069 0.000 1.042 1326 R CB 0.162 30.247 30.300 -0.359 0.000 1.059 1326 R HN 0.309 nan 8.270 nan 0.000 0.530 1327 I N 1.847 122.552 120.570 0.224 0.000 3.017 1327 I HA -0.258 3.912 4.170 -0.000 0.000 0.310 1327 I C -0.438 175.881 176.117 0.338 0.000 1.220 1327 I CA 0.994 62.475 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 0.047 nan 8.210 nan 0.000 0.570 1328 Y N 5.536 125.967 120.300 0.218 0.000 2.644 1328 Y HA 0.572 5.122 4.550 -0.000 0.000 0.338 1328 Y C -0.891 175.100 175.900 0.151 0.000 1.119 1328 Y CA -0.538 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 2.291 116.266 114.554 -0.963 0.000 2.942 1329 T HA 0.150 4.500 4.350 -0.000 0.000 0.327 1329 T C -0.410 173.828 174.700 -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 -0.038 118.548 118.700 -0.191 0.000 2.461 1330 N HA 0.031 4.771 4.740 -0.000 0.000 0.188 1330 N C 0.684 176.284 175.510 0.149 0.000 1.134 1330 N CA -0.116 52.959 53.050 0.042 0.000 0.878 1330 N CB 0.377 38.963 38.487 0.165 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 -0.000 0.000 0.241 1331 S C 0.733 175.366 174.600 0.055 0.000 1.363 1331 S CA -0.981 57.259 58.200 0.066 0.000 0.894 1331 S CB -1.284 61.895 63.200 -0.035 0.000 1.519 1331 S HN 0.377 nan 8.310 nan 0.000 0.470 1332 F N 2.169 122.100 119.950 -0.033 0.000 2.115 1332 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 1332 F C 1.753 177.553 175.800 -0.000 0.000 1.092 1332 F CA 0.996 58.992 58.000 -0.007 0.000 1.245 1332 F CB -0.753 38.272 39.000 0.042 0.000 0.995 1332 F HN 0.422 nan 8.300 nan 0.000 0.481 1333 I N 1.283 121.521 120.570 -0.553 0.000 2.113 1333 I HA -0.355 3.815 4.170 -0.000 0.000 0.242 1333 I C 2.400 178.427 176.117 -0.150 0.000 1.064 1333 I CA 1.907 62.989 61.300 -0.364 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 0.707 121.028 120.400 -0.132 0.000 2.104 1334 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 1334 D C 2.252 178.530 176.300 -0.036 0.000 0.994 1334 D CA 1.440 55.397 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 0.356 nan 8.370 nan 0.000 0.452 1335 I N 1.035 121.593 120.570 -0.021 0.000 2.335 1335 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 1335 I C 2.484 178.622 176.117 0.035 0.000 1.129 1335 I CA 0.651 61.960 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 0.031 0.000 2.101 1336 M HA -0.250 4.230 4.480 -0.000 0.000 0.259 1336 M C 2.048 178.358 176.300 0.017 0.000 1.083 1336 M CA 2.020 57.342 55.300 0.036 0.000 1.114 1336 M CB -0.403 32.213 32.600 0.026 0.000 1.281 1336 M HN 0.049 nan 8.290 nan 0.000 0.422 1337 E N -0.356 119.842 120.200 -0.005 0.000 2.208 1337 E HA -0.238 4.112 4.350 -0.000 0.000 0.202 1337 E C 1.894 178.495 176.600 0.001 0.000 1.014 1337 E CA 1.770 58.166 56.400 -0.007 0.000 0.819 1337 E CB -0.415 29.272 29.700 -0.021 0.000 0.735 1337 E HN 0.466 nan 8.360 nan 0.000 0.469 1338 V N 0.280 120.196 119.914 0.004 0.000 2.492 1338 V HA -0.073 4.047 4.120 -0.000 0.000 0.241 1338 V C 1.854 177.959 176.094 0.018 0.000 1.041 1338 V CA 0.983 63.288 62.300 0.009 0.000 1.057 1338 V CB 0.013 31.840 31.823 0.007 0.000 0.711 1338 V HN 0.192 nan 8.190 nan 0.000 0.468 1339 L N -0.210 121.029 121.223 0.027 0.000 2.640 1339 L HA 0.565 4.905 4.340 -0.000 0.000 0.230 1339 L C 0.918 177.809 176.870 0.036 0.000 1.123 1339 L CA 0.635 55.496 54.840 0.034 0.000 0.900 1339 L CB 0.057 42.144 42.059 0.047 0.000 1.146 1339 L HN 0.497 nan 8.230 nan 0.000 0.484 1340 G N 0.309 109.130 108.800 0.035 0.000 2.541 1340 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.686 1340 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.686 1340 G C -0.026 174.903 174.900 0.048 0.000 1.286 1340 G CA -0.172 44.950 45.100 0.037 0.000 0.894 1340 G HN -0.015 nan 8.290 nan 0.000 0.575 1341 I N -0.418 120.182 120.570 0.050 0.000 2.584 1341 I HA 0.062 4.232 4.170 -0.000 0.000 0.255 1341 I C 2.312 178.472 176.117 0.072 0.000 1.145 1341 I CA 1.129 62.467 61.300 0.064 0.000 1.462 1341 I CB -0.100 37.936 38.000 0.060 0.000 1.102 1341 I HN 0.629 nan 8.210 nan 0.000 0.433 1342 E N 1.238 121.474 120.200 0.061 0.000 2.160 1342 E HA -0.237 4.113 4.350 -0.000 0.000 0.195 1342 E C 2.107 178.747 176.600 0.068 0.000 0.991 1342 E CA 1.414 57.850 56.400 0.060 0.000 0.810 1342 E CB -0.119 29.609 29.700 0.046 0.000 0.742 1342 E HN 0.649 nan 8.360 nan 0.000 0.466 1343 A N 0.530 123.393 122.820 0.072 0.000 1.872 1343 A HA -0.011 4.309 4.320 -0.000 0.000 0.214 1343 A C 2.499 180.155 177.584 0.121 0.000 1.187 1343 A CA 1.669 53.759 52.037 0.088 0.000 0.614 1343 A CB -1.073 17.977 19.000 0.083 0.000 0.826 1343 A HN 0.336 nan 8.150 nan 0.000 0.442 1344 G N -0.231 108.642 108.800 0.121 0.000 2.513 1344 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 1344 G HA3 -0.359 3.601 3.960 -0.000 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 0.706 121.288 120.500 0.138 0.000 2.094 1345 R HA -0.130 4.210 4.340 -0.000 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 -0.657 29.700 30.300 0.094 0.000 0.850 1345 R HN 0.313 nan 8.270 nan 0.000 0.433 1346 A N 0.836 123.734 122.820 0.130 0.000 1.859 1346 A HA -0.280 4.040 4.320 -0.000 0.000 0.218 1346 A C 2.426 180.142 177.584 0.221 0.000 1.242 1346 A CA 2.685 54.806 52.037 0.140 0.000 0.661 1346 A CB -1.402 17.663 19.000 0.108 0.000 0.842 1346 A HN 0.617 nan 8.150 nan 0.000 0.455 1347 A N -0.927 122.043 122.820 0.251 0.000 1.884 1347 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 1347 A C 2.160 179.851 177.584 0.178 0.000 1.197 1347 A CA 2.190 54.416 52.037 0.316 0.000 0.637 1347 A CB -0.892 18.303 19.000 0.326 0.000 0.827 1347 A HN 1.035 nan 8.150 nan 0.000 0.450 1348 L N -1.484 119.795 121.223 0.094 0.000 2.064 1348 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 1348 L C 2.274 179.117 176.870 -0.046 0.000 1.077 1348 L CA 2.790 57.549 54.840 -0.135 0.000 0.766 1348 L CB -0.896 41.151 42.059 -0.021 0.000 0.890 1348 L HN 0.604 nan 8.230 nan 0.000 0.435 1349 Y N -0.200 120.094 120.300 -0.010 0.000 2.176 1349 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 1349 Y C 2.721 178.676 175.900 0.092 0.000 1.122 1349 Y CA 1.911 60.029 58.100 0.031 0.000 1.128 1349 Y CB -0.240 38.251 38.460 0.052 0.000 1.005 1349 Y HN 0.146 nan 8.280 nan 0.000 0.509 1350 K N 0.160 120.828 120.400 0.446 0.000 2.107 1350 K HA -0.313 4.006 4.320 -0.000 0.000 0.211 1350 K C 1.855 178.567 176.600 0.187 0.000 1.049 1350 K CA 2.144 58.621 56.287 0.316 0.000 0.927 1350 K CB -0.144 32.507 32.500 0.252 0.000 0.714 1350 K HN 0.323 nan 8.250 nan 0.000 0.452 1351 E N -0.053 120.216 120.200 0.115 0.000 1.998 1351 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 1351 E C 1.885 178.465 176.600 -0.034 0.000 0.994 1351 E CA 1.405 57.827 56.400 0.037 0.000 0.835 1351 E CB -0.571 29.063 29.700 -0.111 0.000 0.786 1351 E HN 0.060 nan 8.360 nan 0.000 0.467 1352 V N 0.902 120.735 119.914 -0.134 0.000 2.257 1352 V HA -0.382 3.738 4.120 -0.000 0.000 0.257 1352 V C 2.196 178.198 176.094 -0.154 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 0.436 nan 8.190 nan 0.000 0.450 1353 Y N 1.534 121.608 120.300 -0.377 0.000 2.002 1353 Y HA -0.354 4.196 4.550 -0.000 0.000 0.268 1353 Y C 2.648 178.479 175.900 -0.115 0.000 1.177 1353 Y CA 2.459 60.371 58.100 -0.313 0.000 1.111 1353 Y CB -0.656 37.577 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 0.095 0.000 2.137 1354 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 1354 N C 1.920 177.383 175.510 -0.079 0.000 1.017 1354 N CA 1.717 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 1.870 121.739 119.914 -0.077 0.000 2.255 1355 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 1355 V C 2.241 178.264 176.094 -0.119 0.000 1.051 1355 V CA 1.409 63.663 62.300 -0.076 0.000 1.018 1355 V CB -0.277 31.504 31.823 -0.070 0.000 0.641 1355 V HN 0.238 nan 8.190 nan 0.000 0.445 1356 I N 0.023 120.484 120.570 -0.181 0.000 2.439 1356 I HA -0.128 4.042 4.170 -0.000 0.000 0.251 1356 I C 2.407 178.383 176.117 -0.234 0.000 1.139 1356 I CA 1.312 62.492 61.300 -0.201 0.000 1.438 1356 I CB -0.454 37.409 38.000 -0.228 0.000 1.085 1356 I HN 0.279 nan 8.210 nan 0.000 0.427 1357 A N 0.510 123.115 122.820 -0.359 0.000 2.081 1357 A HA -0.065 4.255 4.320 -0.000 0.000 0.214 1357 A C 2.382 179.872 177.584 -0.158 0.000 1.158 1357 A CA 0.986 52.829 52.037 -0.323 0.000 0.724 1357 A CB -0.476 18.148 19.000 -0.626 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 -0.123 0.000 2.469 1358 S HA -0.132 4.337 4.470 -0.000 0.000 0.238 1358 S C 1.017 175.588 174.600 -0.050 0.000 0.998 1358 S CA 1.272 59.437 58.200 -0.059 0.000 0.957 1358 S CB -0.306 62.872 63.200 -0.037 0.000 0.764 1358 S HN 0.525 nan 8.310 nan 0.000 0.514 1359 D N 0.934 121.295 120.400 -0.065 0.000 2.370 1359 D HA 0.253 4.893 4.640 -0.000 0.000 0.230 1359 D C 1.498 177.773 176.300 -0.041 0.000 1.143 1359 D CA 0.549 54.520 54.000 -0.048 0.000 0.834 1359 D CB 0.051 40.818 40.800 -0.055 0.000 0.944 1359 D HN 0.551 nan 8.370 nan 0.000 0.504 1360 G N 0.823 109.597 108.800 -0.043 0.000 2.451 1360 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.253 1360 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.253 1360 G C 0.745 175.636 174.900 -0.015 0.000 1.033 1360 G CA 0.665 45.750 45.100 -0.026 0.000 0.633 1360 G HN 0.392 nan 8.290 nan 0.000 0.537 1361 S N 0.168 115.851 115.700 -0.028 0.000 2.568 1361 S HA 0.486 4.956 4.470 -0.000 0.000 0.282 1361 S C -0.220 174.388 174.600 0.014 0.000 1.338 1361 S CA 0.183 58.377 58.200 -0.011 0.000 1.045 1361 S CB 1.010 64.181 63.200 -0.047 0.000 0.873 1361 S HN 0.767 nan 8.310 nan 0.000 0.516 1362 Y N 1.877 122.139 120.300 -0.063 0.000 2.549 1362 Y HA 0.711 5.261 4.550 -0.000 0.000 0.339 1362 Y C -1.056 174.841 175.900 -0.005 0.000 1.053 1362 Y CA -1.115 56.963 58.100 -0.038 0.000 1.105 1362 Y CB 1.065 39.529 38.460 0.007 0.000 1.258 1362 Y HN 0.368 nan 8.280 nan 0.000 0.478 1363 V N 4.206 123.492 119.914 -1.047 0.000 2.817 1363 V HA 0.195 4.315 4.120 -0.000 0.000 0.303 1363 V C -0.808 174.767 176.094 -0.865 0.000 1.151 1363 V CA -1.419 60.415 62.300 -0.777 0.000 0.929 1363 V CB 1.778 33.413 31.823 -0.313 0.000 1.030 1363 V HN 0.891 nan 8.190 nan 0.000 0.427 1364 N N 2.254 120.694 118.700 -0.432 0.000 2.407 1364 N HA 0.014 4.754 4.740 -0.000 0.000 0.250 1364 N C 0.914 176.561 175.510 0.228 0.000 1.236 1364 N CA 0.118 53.201 53.050 0.055 0.000 0.879 1364 N CB 0.492 39.097 38.487 0.197 0.000 1.088 1364 N HN 0.696 nan 8.380 nan 0.000 0.450 1365 Y N 4.564 125.010 120.300 0.243 0.000 1.930 1365 Y HA -0.441 4.109 4.550 -0.000 0.000 0.241 1365 Y C 2.285 178.272 175.900 0.145 0.000 1.104 1365 Y CA 2.814 61.086 58.100 0.285 0.000 1.060 1365 Y CB -0.515 38.074 38.460 0.215 0.000 0.932 1365 Y HN 0.758 nan 8.280 nan 0.000 0.496 1366 R N -0.882 119.619 120.500 0.002 0.000 2.301 1366 R HA -0.388 3.952 4.340 -0.000 0.000 0.250 1366 R C 1.901 178.088 176.300 -0.188 0.000 1.102 1366 R CA 2.291 58.242 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 0.734 119.805 119.070 0.002 0.000 2.252 1367 H HA -0.141 4.415 4.556 -0.000 0.000 0.292 1367 H C 2.394 177.697 175.328 -0.042 0.000 1.082 1367 H CA 2.339 58.387 56.048 0.000 0.000 1.229 1367 H CB -0.462 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 4.392 4.480 -0.000 0.000 0.264 1368 M C 2.801 179.099 176.300 -0.003 0.000 1.063 1368 M CA 1.138 56.444 55.300 0.010 0.000 1.119 1368 M CB -0.254 32.315 32.600 -0.051 0.000 1.377 1368 M HN 0.247 nan 8.290 nan 0.000 0.415 1369 A N 1.145 123.889 122.820 -0.126 0.000 1.863 1369 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 1369 A C 2.104 179.629 177.584 -0.099 0.000 1.233 1369 A CA 2.147 54.018 52.037 -0.278 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 -0.793 120.393 121.223 -0.062 0.000 2.030 1370 L HA -0.243 4.097 4.340 -0.000 0.000 0.222 1370 L C 2.355 179.212 176.870 -0.022 0.000 1.082 1370 L CA 2.622 57.458 54.840 -0.008 0.000 0.785 1370 L CB -0.781 41.301 42.059 0.038 0.000 0.895 1370 L HN 0.504 nan 8.230 nan 0.000 0.439 1371 L N -1.211 119.997 121.223 -0.024 0.000 1.944 1371 L HA -0.218 4.122 4.340 -0.000 0.000 0.218 1371 L C 2.427 179.283 176.870 -0.023 0.000 1.075 1371 L CA 2.336 57.153 54.840 -0.039 0.000 0.767 1371 L CB -1.063 40.969 42.059 -0.044 0.000 0.890 1371 L HN 0.139 nan 8.230 nan 0.000 0.434 1372 V N 0.447 120.360 119.914 -0.002 0.000 2.231 1372 V HA -0.409 3.711 4.120 -0.000 0.000 0.250 1372 V C 2.428 178.539 176.094 0.028 0.000 1.058 1372 V CA 2.252 64.567 62.300 0.026 0.000 1.022 1372 V CB -1.030 30.837 31.823 0.072 0.000 0.640 1372 V HN 0.556 nan 8.190 nan 0.000 0.445 1373 D N -0.044 120.365 120.400 0.015 0.000 2.106 1373 D HA -0.168 4.472 4.640 -0.000 0.000 0.191 1373 D C 2.168 178.473 176.300 0.007 0.000 0.997 1373 D CA 1.790 55.799 54.000 0.015 0.000 0.834 1373 D CB -0.464 40.338 40.800 0.003 0.000 0.956 1373 D HN 0.337 nan 8.370 nan 0.000 0.448 1374 V N 1.005 120.911 119.914 -0.014 0.000 2.546 1374 V HA -0.232 3.888 4.120 -0.000 0.000 0.254 1374 V C 2.367 178.458 176.094 -0.005 0.000 1.076 1374 V CA 1.243 63.527 62.300 -0.026 0.000 1.087 1374 V CB -0.346 31.439 31.823 -0.062 0.000 0.674 1374 V HN 0.243 nan 8.190 nan 0.000 0.470 1375 M N -1.568 118.038 119.600 0.010 0.000 2.558 1375 M HA -0.038 4.442 4.480 -0.000 0.000 0.255 1375 M C 1.662 178.000 176.300 0.064 0.000 1.113 1375 M CA 0.992 56.317 55.300 0.042 0.000 1.097 1375 M CB 0.225 32.854 32.600 0.048 0.000 1.426 1375 M HN 0.285 nan 8.290 nan 0.000 0.488 1376 T N -1.067 113.519 114.554 0.054 0.000 3.004 1376 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 1376 T C 1.498 176.230 174.700 0.052 0.000 0.986 1376 T CA 0.805 62.944 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 0.273 114.849 114.554 0.037 0.000 2.821 1377 T HA -0.017 4.333 4.350 -0.000 0.000 0.267 1377 T C 1.491 176.212 174.700 0.035 0.000 1.046 1377 T CA 0.784 62.903 62.100 0.031 0.000 1.139 1377 T CB -0.332 68.540 68.868 0.007 0.000 0.871 1377 T HN 0.258 nan 8.240 nan 0.000 0.454 1378 Q N 1.384 121.205 119.800 0.034 0.000 2.294 1378 Q HA 0.242 4.582 4.340 -0.000 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 -0.880 27.879 28.738 0.035 0.000 1.101 1378 Q HN 0.833 nan 8.270 nan 0.000 0.447 1379 G N -0.307 108.519 108.800 0.043 0.000 2.300 1379 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 1379 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 1379 G C 0.444 175.371 174.900 0.046 0.000 0.980 1379 G CA 0.455 45.581 45.100 0.044 0.000 0.635 1379 G HN 0.613 nan 8.290 nan 0.000 0.552 1380 G N -1.484 107.344 108.800 0.048 0.000 3.140 1380 G HA2 0.639 4.599 3.960 -0.000 0.000 0.271 1380 G HA3 0.639 4.599 3.960 -0.000 0.000 0.271 1380 G C -0.593 174.348 174.900 0.067 0.000 1.370 1380 G CA -1.041 44.089 45.100 0.050 0.000 1.014 1380 G HN 0.572 nan 8.290 nan 0.000 0.541 1381 L N 1.699 122.963 121.223 0.069 0.000 2.288 1381 L HA 0.295 4.635 4.340 -0.000 0.000 0.283 1381 L C -0.044 176.885 176.870 0.098 0.000 1.072 1381 L CA -0.267 54.635 54.840 0.103 0.000 0.862 1381 L CB 0.737 42.857 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 -0.000 0.000 0.296 1382 T C 0.544 175.320 174.700 0.126 0.000 0.940 1382 T CA -0.559 61.603 62.100 0.102 0.000 1.013 1382 T CB 0.957 69.879 68.868 0.090 0.000 0.912 1382 T HN 0.653 nan 8.240 nan 0.000 0.484 1383 S N 2.207 117.989 115.700 0.136 0.000 2.580 1383 S HA 0.107 4.576 4.470 -0.000 0.000 0.266 1383 S C 1.175 175.888 174.600 0.189 0.000 1.354 1383 S CA -0.831 57.459 58.200 0.151 0.000 1.008 1383 S CB 0.495 63.782 63.200 0.146 0.000 0.898 1383 S HN 0.412 nan 8.310 nan 0.000 0.555 1384 V N 1.159 121.176 119.914 0.172 0.000 3.633 1384 V HA 0.084 4.204 4.120 -0.000 0.000 0.283 1384 V C 0.984 177.271 176.094 0.321 0.000 1.305 1384 V CA 0.389 62.815 62.300 0.210 0.000 1.153 1384 V CB -1.649 30.200 31.823 0.043 0.000 0.950 1384 V HN 0.939 nan 8.190 nan 0.000 0.432 1385 T N 0.745 115.392 114.554 0.155 0.000 2.770 1385 T HA 0.179 4.529 4.350 -0.000 0.000 0.281 1385 T C 1.603 176.149 174.700 -0.257 0.000 0.981 1385 T CA -0.464 61.630 62.100 -0.010 0.000 0.955 1385 T CB 0.854 69.633 68.868 -0.147 0.000 1.060 1385 T HN 0.446 nan 8.240 nan 0.000 0.531 1386 R N 0.528 120.823 120.500 -0.341 0.000 2.092 1386 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 1386 R C 1.450 177.544 176.300 -0.344 0.000 1.119 1386 R CA 1.437 57.299 56.100 -0.396 0.000 0.970 1386 R CB -0.824 29.419 30.300 -0.095 0.000 0.864 1386 R HN 0.620 nan 8.270 nan 0.000 0.440 1387 H N 0.244 119.267 119.070 -0.078 0.000 2.557 1387 H HA 0.046 4.602 4.556 -0.000 0.000 0.287 1387 H C 1.734 177.022 175.328 -0.067 0.000 1.043 1387 H CA 1.214 57.229 56.048 -0.054 0.000 1.226 1387 H CB -0.203 29.555 29.762 -0.006 0.000 1.361 1387 H HN 0.561 nan 8.280 nan 0.000 0.592 1388 G N 0.396 109.169 108.800 -0.046 0.000 2.613 1388 G HA2 0.009 3.969 3.960 -0.000 0.000 0.218 1388 G HA3 0.009 3.969 3.960 -0.000 0.000 0.218 1388 G C 1.221 176.095 174.900 -0.043 0.000 1.508 1388 G CA 0.256 45.357 45.100 0.001 0.000 0.788 1388 G HN 0.361 nan 8.290 nan 0.000 0.603 1389 F N 1.258 121.149 119.950 -0.098 0.000 2.661 1389 F HA 0.326 4.853 4.527 -0.000 0.000 0.298 1389 F C 1.623 177.332 175.800 -0.151 0.000 1.137 1389 F CA 0.661 58.583 58.000 -0.129 0.000 1.454 1389 F CB -0.395 38.502 39.000 -0.173 0.000 1.103 1389 F HN 0.069 nan 8.300 nan 0.000 0.577 1390 N N 0.566 118.816 118.700 -0.750 0.000 2.446 1390 N HA -0.003 4.737 4.740 -0.000 0.000 0.179 1390 N C 1.878 177.266 175.510 -0.203 0.000 1.054 1390 N CA 0.305 53.072 53.050 -0.471 0.000 0.905 1390 N CB -0.168 38.001 38.487 -0.530 0.000 0.973 1390 N HN 0.328 nan 8.380 nan 0.000 0.448 1391 R N 0.766 121.170 120.500 -0.160 0.000 2.093 1391 R HA -0.094 4.246 4.340 -0.000 0.000 0.224 1391 R C 1.725 177.998 176.300 -0.045 0.000 1.101 1391 R CA 1.315 57.368 56.100 -0.078 0.000 0.979 1391 R CB -0.155 30.115 30.300 -0.049 0.000 0.877 1391 R HN 0.239 nan 8.270 nan 0.000 0.441 1392 S N 0.859 116.542 115.700 -0.027 0.000 2.709 1392 S HA -0.346 4.124 4.470 -0.000 0.000 0.340 1392 S C 0.697 175.298 174.600 0.002 0.000 1.366 1392 S CA 2.050 60.254 58.200 0.007 0.000 1.096 1392 S CB -0.687 62.535 63.200 0.037 0.000 1.016 1392 S HN 0.724 nan 8.310 nan 0.000 0.459 1393 N N -1.429 117.265 118.700 -0.010 0.000 2.963 1393 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 1393 N C -0.218 175.285 175.510 -0.013 0.000 0.994 1393 N CA 0.965 54.009 53.050 -0.010 0.000 1.070 1393 N CB -1.903 36.583 38.487 -0.003 0.000 0.991 1393 N HN 0.593 nan 8.380 nan 0.000 0.543 1394 T N 0.771 115.317 114.554 -0.014 0.000 2.766 1394 T HA 0.441 4.791 4.350 -0.000 0.000 0.295 1394 T C 1.276 175.962 174.700 -0.024 0.000 1.024 1394 T CA 0.490 62.582 62.100 -0.013 0.000 1.018 1394 T CB 0.603 69.468 68.868 -0.005 0.000 1.002 1394 T HN 0.312 nan 8.240 nan 0.000 0.532 1395 G N -0.301 108.489 108.800 -0.017 0.000 2.664 1395 G HA2 0.368 4.328 3.960 -0.000 0.000 0.242 1395 G HA3 0.368 4.328 3.960 -0.000 0.000 0.242 1395 G C 1.195 176.064 174.900 -0.052 0.000 1.225 1395 G CA -0.132 44.959 45.100 -0.016 0.000 0.849 1395 G HN 0.838 nan 8.290 nan 0.000 0.581 1396 A N 0.917 123.680 122.820 -0.094 0.000 1.877 1396 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 1396 A C 2.472 179.961 177.584 -0.158 0.000 1.186 1396 A CA 1.470 53.374 52.037 -0.222 0.000 0.620 1396 A CB -0.506 18.159 19.000 -0.559 0.000 0.822 1396 A HN 0.600 nan 8.150 nan 0.000 0.443 1397 L N -1.212 119.971 121.223 -0.066 0.000 2.043 1397 L HA -0.277 4.063 4.340 -0.000 0.000 0.212 1397 L C 2.919 179.779 176.870 -0.017 0.000 1.075 1397 L CA 1.682 56.510 54.840 -0.020 0.000 0.752 1397 L CB -0.589 41.495 42.059 0.041 0.000 0.891 1397 L HN 0.456 nan 8.230 nan 0.000 0.432 1398 M N -0.514 119.080 119.600 -0.011 0.000 2.065 1398 M HA -0.241 4.239 4.480 -0.000 0.000 0.259 1398 M C 2.519 178.829 176.300 0.017 0.000 1.071 1398 M CA 1.914 57.218 55.300 0.007 0.000 1.109 1398 M CB -0.438 32.166 32.600 0.006 0.000 1.313 1398 M HN 0.182 nan 8.290 nan 0.000 0.408 1399 R N -0.809 119.680 120.500 -0.017 0.000 2.139 1399 R HA -0.173 4.167 4.340 -0.000 0.000 0.243 1399 R C 2.278 178.583 176.300 0.008 0.000 1.145 1399 R CA 1.446 57.534 56.100 -0.019 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 0.847 120.127 119.300 -0.033 0.000 2.398 1400 C HA -0.121 4.339 4.460 -0.000 0.000 0.276 1400 C C 2.570 177.565 174.990 0.007 0.000 1.222 1400 C CA 1.613 60.606 59.018 -0.043 0.000 1.746 1400 C CB -0.843 26.861 27.740 -0.060 0.000 2.039 1400 C HN 0.601 nan 8.230 nan 0.000 0.470 1401 S N -1.656 114.072 115.700 0.047 0.000 2.881 1401 S HA 0.143 4.613 4.470 -0.000 0.000 0.228 1401 S C -0.150 174.555 174.600 0.174 0.000 0.965 1401 S CA 0.063 58.309 58.200 0.077 0.000 0.998 1401 S CB -0.607 62.636 63.200 0.072 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 -0.032 0.000 2.722 1402 F HA 0.300 4.827 4.527 -0.000 0.000 0.336 1402 F C 0.474 176.240 175.800 -0.057 0.000 1.216 1402 F CA -0.764 57.219 58.000 -0.029 0.000 1.065 1402 F CB 0.750 39.749 39.000 -0.002 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 -0.434 0.000 5.314 1403 E HA -0.352 3.998 4.350 -0.000 0.000 0.171 1403 E C -0.071 176.471 176.600 -0.097 0.000 1.207 1403 E CA 2.239 58.462 56.400 -0.295 0.000 1.788 1403 E CB -0.514 28.934 29.700 -0.420 0.000 1.852 1403 E HN 0.762 nan 8.360 nan 0.000 0.324 1404 E N 0.380 120.562 120.200 -0.030 0.000 3.896 1404 E HA 0.195 4.545 4.350 -0.000 0.000 0.217 1404 E C 0.299 176.867 176.600 -0.053 0.000 1.150 1404 E CA 0.071 56.453 56.400 -0.031 0.000 1.338 1404 E CB 0.827 30.519 29.700 -0.014 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 -0.066 0.000 2.520 1405 T HA -0.200 4.150 4.350 -0.000 0.000 0.258 1405 T C 2.022 176.623 174.700 -0.165 0.000 1.125 1405 T CA 1.288 63.326 62.100 -0.103 0.000 1.206 1405 T CB -0.198 68.615 68.868 -0.091 0.000 0.864 1405 T HN 0.090 nan 8.240 nan 0.000 0.400 1406 V N 1.817 121.640 119.914 -0.152 0.000 2.238 1406 V HA -0.363 3.757 4.120 -0.000 0.000 0.253 1406 V C 2.527 178.474 176.094 -0.245 0.000 1.050 1406 V CA 2.400 64.569 62.300 -0.218 0.000 1.045 1406 V CB -0.952 30.870 31.823 -0.001 0.000 0.670 1406 V HN 0.579 nan 8.190 nan 0.000 0.469 1407 E N -0.463 119.746 120.200 0.016 0.000 2.068 1407 E HA -0.292 4.058 4.350 -0.000 0.000 0.207 1407 E C 2.082 178.647 176.600 -0.058 0.000 1.032 1407 E CA 2.169 58.618 56.400 0.081 0.000 0.839 1407 E CB -0.378 29.339 29.700 0.028 0.000 0.758 1407 E HN 0.604 nan 8.360 nan 0.000 0.457 1408 I N 0.892 121.394 120.570 -0.115 0.000 2.236 1408 I HA -0.310 3.860 4.170 -0.000 0.000 0.249 1408 I C 2.393 178.356 176.117 -0.257 0.000 1.102 1408 I CA 1.062 62.267 61.300 -0.158 0.000 1.365 1408 I CB -0.181 37.734 38.000 -0.143 0.000 1.051 1408 I HN 0.176 nan 8.210 nan 0.000 0.420 1409 L N -0.877 120.132 121.223 -0.358 0.000 2.291 1409 L HA -0.140 4.200 4.340 -0.000 0.000 0.214 1409 L C 2.223 178.840 176.870 -0.423 0.000 1.120 1409 L CA 1.020 55.560 54.840 -0.500 0.000 0.799 1409 L CB -0.246 41.495 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 -0.143 4.384 4.527 -0.000 0.000 0.290 1410 F C 2.413 178.075 175.800 -0.230 0.000 1.118 1410 F CA 0.739 58.575 58.000 -0.274 0.000 1.199 1410 F CB -0.215 38.457 39.000 -0.546 0.000 1.012 1410 F HN -0.007 nan 8.300 nan 0.000 0.472 1411 E N 0.512 120.684 120.200 -0.047 0.000 2.393 1411 E HA -0.206 4.144 4.350 -0.000 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 -0.309 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 0.922 123.653 122.820 -0.149 0.000 1.997 1412 A HA 0.156 4.476 4.320 -0.000 0.000 0.212 1412 A C 2.328 179.840 177.584 -0.121 0.000 1.178 1412 A CA 0.844 52.750 52.037 -0.217 0.000 0.698 1412 A CB -0.326 18.409 19.000 -0.442 0.000 0.842 1412 A HN 0.312 nan 8.150 nan 0.000 0.458 1413 G N -0.199 108.588 108.800 -0.022 0.000 2.395 1413 G HA2 0.122 4.082 3.960 -0.000 0.000 0.214 1413 G HA3 0.122 4.082 3.960 -0.000 0.000 0.214 1413 G C 1.753 176.731 174.900 0.130 0.000 1.177 1413 G CA 1.221 46.410 45.100 0.149 0.000 0.794 1413 G HN 0.678 nan 8.290 nan 0.000 0.532 1414 A N 1.062 123.974 122.820 0.153 0.000 1.884 1414 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 1414 A C 2.050 179.434 177.584 -0.333 0.000 1.197 1414 A CA 2.173 54.207 52.037 -0.005 0.000 0.637 1414 A CB -0.788 18.259 19.000 0.079 0.000 0.827 1414 A HN 0.849 nan 8.150 nan 0.000 0.450 1415 S N -0.473 115.048 115.700 -0.298 0.000 3.334 1415 S HA 0.593 5.063 4.470 -0.000 0.000 0.188 1415 S C 0.331 174.866 174.600 -0.109 0.000 1.404 1415 S CA -0.053 57.961 58.200 -0.310 0.000 1.040 1415 S CB -0.105 62.916 63.200 -0.298 0.000 1.352 1415 S HN 1.460 nan 8.310 nan 0.000 0.501 1416 A N 2.088 124.895 122.820 -0.021 0.000 1.974 1416 A HA -0.137 4.183 4.320 -0.000 0.000 0.334 1416 A C 0.543 178.138 177.584 0.018 0.000 0.961 1416 A CA 0.703 52.770 52.037 0.051 0.000 1.475 1416 A CB -0.849 18.243 19.000 0.154 0.000 0.658 1416 A HN 0.792 nan 8.150 nan 0.000 0.271 1417 E N 0.044 120.264 120.200 0.034 0.000 2.266 1417 E HA 0.471 4.821 4.350 -0.000 0.000 0.277 1417 E C -0.605 176.037 176.600 0.068 0.000 1.018 1417 E CA -0.802 55.613 56.400 0.026 0.000 0.840 1417 E CB 1.314 31.002 29.700 -0.019 0.000 1.082 1417 E HN 0.519 nan 8.360 nan 0.000 0.395 1418 L N 3.387 124.625 121.223 0.024 0.000 2.316 1418 L HA 0.257 4.597 4.340 -0.000 0.000 0.280 1418 L C -0.938 175.947 176.870 0.024 0.000 1.006 1418 L CA -0.489 54.351 54.840 -0.001 0.000 0.836 1418 L CB 1.228 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 3.153 123.587 120.400 0.056 0.000 2.295 1419 D HA 0.078 4.718 4.640 -0.000 0.000 0.248 1419 D C 0.538 176.844 176.300 0.010 0.000 1.154 1419 D CA 0.010 54.041 54.000 0.052 0.000 0.857 1419 D CB 1.160 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 2.466 122.869 120.400 0.004 0.000 2.182 1420 D HA -0.151 4.489 4.640 -0.000 0.000 0.201 1420 D C 0.830 177.125 176.300 -0.007 0.000 0.986 1420 D CA 0.661 54.658 54.000 -0.005 0.000 0.847 1420 D CB -0.067 40.732 40.800 -0.002 0.000 0.942 1420 D HN 0.523 nan 8.370 nan 0.000 0.467 1421 C N 0.085 119.385 119.300 -0.001 0.000 4.614 1421 C HA -0.145 4.315 4.460 -0.000 0.000 0.300 1421 C C 1.186 176.172 174.990 -0.006 0.000 1.301 1421 C CA -0.204 58.811 59.018 -0.005 0.000 2.073 1421 C CB -2.463 25.267 27.740 -0.017 0.000 1.219 1421 C HN 0.396 nan 8.230 nan 0.000 0.772 1422 R N -0.202 120.298 120.500 -0.001 0.000 2.508 1422 R HA 0.294 4.634 4.340 -0.000 0.000 0.300 1422 R C 1.024 177.326 176.300 0.003 0.000 0.970 1422 R CA 0.563 56.665 56.100 0.003 0.000 1.102 1422 R CB 0.798 31.105 30.300 0.012 0.000 1.246 1422 R HN 0.569 nan 8.270 nan 0.000 0.539 1423 G N -0.261 108.538 108.800 -0.001 0.000 2.400 1423 G HA2 0.240 4.200 3.960 -0.000 0.000 0.301 1423 G HA3 0.240 4.200 3.960 -0.000 0.000 0.301 1423 G C 0.909 175.802 174.900 -0.012 0.000 1.154 1423 G CA -0.565 44.532 45.100 -0.005 0.000 0.852 1423 G HN -0.075 nan 8.290 nan 0.000 0.511 1424 V N 1.560 121.462 119.914 -0.020 0.000 2.427 1424 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 1424 V C 2.902 178.984 176.094 -0.020 0.000 1.051 1424 V CA 2.480 64.764 62.300 -0.026 0.000 1.048 1424 V CB -0.271 31.530 31.823 -0.037 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 -0.014 0.000 2.419 1425 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 1425 S C 1.681 176.280 174.600 -0.002 0.000 1.016 1425 S CA 1.418 59.615 58.200 -0.006 0.000 0.974 1425 S CB -0.237 62.965 63.200 0.004 0.000 0.786 1425 S HN 0.775 nan 8.310 nan 0.000 0.492 1426 E N 1.457 121.655 120.200 -0.002 0.000 2.140 1426 E HA 0.091 4.440 4.350 -0.000 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 -0.186 29.520 29.700 0.009 0.000 0.781 1426 E HN 0.364 nan 8.360 nan 0.000 0.466 1427 N N 1.024 119.716 118.700 -0.013 0.000 2.381 1427 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 1427 N C 1.812 177.310 175.510 -0.021 0.000 1.025 1427 N CA 0.594 53.632 53.050 -0.020 0.000 0.888 1427 N CB 0.285 38.756 38.487 -0.026 0.000 0.965 1427 N HN 0.011 nan 8.380 nan 0.000 0.438 1428 V N 1.312 121.215 119.914 -0.018 0.000 2.548 1428 V HA -0.075 4.045 4.120 -0.000 0.000 0.249 1428 V C 2.117 178.202 176.094 -0.014 0.000 1.055 1428 V CA 0.901 63.190 62.300 -0.018 0.000 1.065 1428 V CB -0.100 31.713 31.823 -0.016 0.000 0.681 1428 V HN 0.219 nan 8.190 nan 0.000 0.462 1429 I N -0.549 120.015 120.570 -0.010 0.000 2.617 1429 I HA -0.117 4.053 4.170 -0.000 0.000 0.256 1429 I C 1.646 177.756 176.117 -0.012 0.000 1.167 1429 I CA 1.297 62.592 61.300 -0.007 0.000 1.469 1429 I CB 0.005 38.006 38.000 0.001 0.000 1.098 1429 I HN 0.249 nan 8.210 nan 0.000 0.436 1430 L N 0.427 121.641 121.223 -0.016 0.000 2.667 1430 L HA 0.309 4.649 4.340 -0.000 0.000 0.232 1430 L C 1.160 178.016 176.870 -0.023 0.000 1.138 1430 L CA -0.029 54.798 54.840 -0.022 0.000 0.921 1430 L CB -0.164 41.880 42.059 -0.026 0.000 1.180 1430 L HN 0.351 nan 8.230 nan 0.000 0.487 1431 G N 1.249 110.037 108.800 -0.021 0.000 2.366 1431 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.299 1431 G HA3 -0.263 3.697 3.960 -0.000 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 5.010 4.340 -0.000 0.000 0.282 1432 Q C 0.663 176.640 176.000 -0.038 0.000 1.106 1432 Q CA -1.259 54.525 55.803 -0.033 0.000 0.814 1432 Q CB 1.320 30.038 28.738 -0.034 0.000 1.425 1432 Q HN 0.319 nan 8.270 nan 0.000 0.437 1433 M N 0.719 120.292 119.600 -0.045 0.000 2.219 1433 M HA 0.338 4.818 4.480 -0.000 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 33.036 32.600 -0.074 0.000 1.410 1433 M HN 0.867 nan 8.290 nan 0.000 0.454 1434 A N 2.176 124.959 122.820 -0.061 0.000 2.486 1434 A HA 0.691 5.011 4.320 -0.000 0.000 0.289 1434 A C -2.547 174.997 177.584 -0.066 0.000 1.176 1434 A CA -1.286 50.718 52.037 -0.054 0.000 0.757 1434 A CB 0.843 19.816 19.000 -0.044 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 -0.721 176.535 177.300 -0.072 0.000 1.738 1435 P CA 0.607 63.676 63.100 -0.053 0.000 0.948 1435 P CB -0.514 31.175 31.700 -0.018 0.000 1.943 1436 I N -1.168 119.358 120.570 -0.074 0.000 3.501 1436 I HA 0.278 4.448 4.170 -0.000 0.000 0.297 1436 I C 2.139 178.232 176.117 -0.042 0.000 1.199 1436 I CA -0.707 60.553 61.300 -0.067 0.000 0.987 1436 I CB 0.537 38.502 38.000 -0.058 0.000 1.365 1436 I HN 0.070 nan 8.210 nan 0.000 0.574 1437 G N 0.342 109.134 108.800 -0.014 0.000 2.599 1437 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 1437 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 1437 G C 1.287 176.286 174.900 0.166 0.000 1.193 1437 G CA 1.810 46.953 45.100 0.070 0.000 0.778 1437 G HN 0.640 nan 8.290 nan 0.000 0.589 1438 T N 0.409 115.001 114.554 0.062 0.000 2.962 1438 T HA 0.160 4.510 4.350 -0.000 0.000 0.270 1438 T C 1.604 176.084 174.700 -0.367 0.000 1.088 1438 T CA 1.143 63.231 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 -0.298 108.343 108.800 -0.265 0.000 4.912 1439 G HA2 0.590 4.550 3.960 -0.000 0.000 0.307 1439 G HA3 0.590 4.550 3.960 -0.000 0.000 0.307 1439 G C 0.558 175.327 174.900 -0.219 0.000 1.381 1439 G CA 0.221 45.139 45.100 -0.303 0.000 1.057 1439 G HN 0.363 nan 8.290 nan 0.000 0.593 1440 A N 0.534 123.214 122.820 -0.234 0.000 1.997 1440 A HA 0.609 4.929 4.320 -0.000 0.000 0.198 1440 A C 0.535 178.183 177.584 0.107 0.000 1.449 1440 A CA 0.139 52.201 52.037 0.043 0.000 0.908 1440 A CB 0.034 19.167 19.000 0.222 0.000 0.984 1440 A HN 0.599 nan 8.150 nan 0.000 0.487 1441 F N -0.234 119.798 119.950 0.136 0.000 2.425 1441 F HA 0.752 5.279 4.527 -0.000 0.000 0.331 1441 F C -0.599 175.213 175.800 0.020 0.000 1.085 1441 F CA -1.587 56.443 58.000 0.050 0.000 1.028 1441 F CB 0.628 39.673 39.000 0.074 0.000 1.177 1441 F HN -0.130 nan 8.300 nan 0.000 0.487 1442 D N 1.477 121.907 120.400 0.050 0.000 2.217 1442 D HA 0.499 5.139 4.640 -0.000 0.000 0.248 1442 D C -0.912 175.459 176.300 0.118 0.000 1.008 1442 D CA -0.219 53.775 54.000 -0.010 0.000 0.914 1442 D CB 2.571 43.363 40.800 -0.012 0.000 1.182 1442 D HN 0.430 nan 8.370 nan 0.000 0.451 1443 V N 3.197 123.160 119.914 0.082 0.000 2.459 1443 V HA 0.548 4.668 4.120 -0.000 0.000 0.295 1443 V C 0.248 176.377 176.094 0.059 0.000 1.029 1443 V CA -0.439 61.931 62.300 0.117 0.000 0.874 1443 V CB 1.506 33.409 31.823 0.134 0.000 0.985 1443 V HN 0.493 nan 8.190 nan 0.000 0.438 1444 M N 3.881 123.513 119.600 0.053 0.000 2.569 1444 M HA 0.575 5.055 4.480 -0.000 0.000 0.279 1444 M C -0.768 175.548 176.300 0.028 0.000 1.253 1444 M CA -0.541 54.779 55.300 0.032 0.000 0.867 1444 M CB 2.624 35.238 32.600 0.023 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 0.021 0.000 2.984 1445 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 1445 I CA 0.000 61.311 61.300 0.018 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