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 2eab_1_B DATA FIRST_RESID 9 DATA SEQUENCE GDGDTSKDDW LWYKQPASQT DATATAGGNY GNPDNNRWQQ TTLPFGNGKI DATA SEQUENCE GGTVWGEVSR ERVTFNEETL WTGGPGSSTS YNGGNNETKG QNGATLRALN DATA SEQUENCE KQLANGAETV NPGNLTGGEN AAEQGNYLNW GDIYLDYGFN DTTVTEYRRD DATA SEQUENCE LNLSKGKADV TFKHDGVTYT REYFASNPDN VMVARLTASK AGKLNFNVSM DATA SEQUENCE PTNTNYSKTG ETTTVKGDTL TVKGALGNNG LLYNSQIKVV LDXXXGTLSE DATA SEQUENCE GSDGASLKVS DAKAVTLYIA AATDYKQKYP SYRTGETAAE VNTRVAKVVQ DATA SEQUENCE DAANKGYTAV KKAHIDDHSA IYDRVKIDLG QSGHSSDGAV ATDALLKAYQ DATA SEQUENCE RGSATTAQKR ELETLVYKYG RYLTIGSSRE NSQLPSNLQG IWSVTAGDNA DATA SEQUENCE HGNTPWGSDF HMNVNLQMNY WPTYSANMGE LAEPLIEYVE GLVKPGRVTA DATA SEQUENCE KVYAGAETTN PETTPIGEGE GYMAHTENTA YGWTAPGQSF SWGWSPAAVP DATA SEQUENCE WILQNVYEAY EYSGDPALLD RVYALLKEES HFYVNYMLHK AGSSSGDRLT DATA SEQUENCE TGVAYSPEQG PLGTDGNTYE SSLVWQMLND AIEAAKAKGD PDGLVGNTTD DATA SEQUENCE cSADNWAKND SGNFTDANAN RSWScAKSLL KPIEVGDSGQ IKEWYFEGAL DATA SEQUENCE GKKKDGSTIS GYQADNQHRH MSHLLGLFPG DLITIDNSEY MDAAKTSLRY DATA SEQUENCE RCFKGNVLQS NTGWAIGQRI NSWARTGDGN TTYQLVELQL KNAMYANLFD DATA SEQUENCE YHAPFQIDGN FGNTSGVDEM LLQSNSTFTD TAGKKYVNYT NILPALPDAW DATA SEQUENCE AGGSVSGLVA RGNFTVGTTW KNGKATEVRL TSNKGKQAAV KITAGGAQNY DATA SEQUENCE EVKNXXXXVN AKVVTNADGA SLLVFDTTAG TTYTITKK 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 9 G C 0.000 174.922 174.900 0.036 0.000 0.946 9 G CA 0.000 45.129 45.100 0.049 0.000 0.502 10 D N -0.089 120.333 120.400 0.036 0.000 2.305 10 D HA 0.290 4.928 4.640 -0.003 0.000 0.206 10 D C 1.922 178.242 176.300 0.034 0.000 0.974 10 D CA 1.842 55.864 54.000 0.036 0.000 0.871 10 D CB 0.286 41.119 40.800 0.054 0.000 0.947 10 D HN 1.306 nan 8.370 nan 0.000 0.516 11 G N 1.173 109.990 108.800 0.028 0.000 2.552 11 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.265 11 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.265 11 G C -0.255 174.658 174.900 0.021 0.000 1.234 11 G CA -0.032 45.080 45.100 0.019 0.000 0.944 11 G HN 0.266 nan 8.290 nan 0.000 0.568 12 D N 1.408 121.815 120.400 0.011 0.000 2.344 12 D HA 0.445 5.083 4.640 -0.003 0.000 0.253 12 D C 1.746 178.053 176.300 0.011 0.000 1.255 12 D CA 0.768 54.767 54.000 -0.002 0.000 0.894 12 D CB 0.331 41.121 40.800 -0.017 0.000 1.067 12 D HN 0.737 nan 8.370 nan 0.000 0.492 13 T N -0.702 113.865 114.554 0.021 0.000 3.105 13 T HA -0.006 4.342 4.350 -0.003 0.000 0.253 13 T C 1.698 176.365 174.700 -0.055 0.000 1.047 13 T CA 0.247 62.379 62.100 0.053 0.000 0.944 13 T CB -0.124 68.867 68.868 0.205 0.000 1.016 13 T HN 0.215 nan 8.240 nan 0.000 0.544 14 S N 1.655 117.279 115.700 -0.126 0.000 2.419 14 S HA -0.052 4.416 4.470 -0.003 0.000 0.233 14 S C 1.666 176.082 174.600 -0.307 0.000 1.016 14 S CA 0.606 58.633 58.200 -0.288 0.000 0.974 14 S CB -0.355 62.703 63.200 -0.237 0.000 0.786 14 S HN 0.375 nan 8.310 nan 0.000 0.492 15 K N 1.344 121.660 120.400 -0.139 0.000 2.374 15 K HA 0.314 4.632 4.320 -0.003 0.000 0.196 15 K C -0.523 176.076 176.600 -0.003 0.000 1.023 15 K CA -0.036 56.199 56.287 -0.086 0.000 1.103 15 K CB 0.059 32.533 32.500 -0.042 0.000 0.848 15 K HN 0.398 nan 8.250 nan 0.000 0.528 16 D N 1.366 121.786 120.400 0.034 0.000 2.339 16 D HA 0.037 4.675 4.640 -0.003 0.000 0.245 16 D C -0.456 175.932 176.300 0.148 0.000 1.115 16 D CA 0.068 54.144 54.000 0.126 0.000 0.917 16 D CB 0.694 41.617 40.800 0.205 0.000 1.192 16 D HN -0.006 nan 8.370 nan 0.000 0.428 17 D N 1.187 121.730 120.400 0.238 0.000 2.295 17 D HA 0.160 4.798 4.640 -0.003 0.000 0.248 17 D C -0.303 176.216 176.300 0.365 0.000 1.154 17 D CA -0.078 54.080 54.000 0.264 0.000 0.857 17 D CB 0.528 41.507 40.800 0.298 0.000 1.117 17 D HN 0.176 nan 8.370 nan 0.000 0.468 18 W N 2.073 123.372 121.300 -0.003 0.000 2.702 18 W HA 0.370 5.028 4.660 -0.003 0.000 0.331 18 W C -0.612 175.902 176.519 -0.009 0.000 1.049 18 W CA -0.849 56.435 57.345 -0.102 0.000 1.230 18 W CB 0.763 30.031 29.460 -0.320 0.000 1.408 18 W HN 0.100 nan 8.180 nan 0.000 0.492 19 L N 5.026 126.294 121.223 0.075 0.000 2.292 19 L HA 0.491 4.830 4.340 -0.003 0.000 0.284 19 L C -0.085 176.812 176.870 0.044 0.000 1.065 19 L CA -0.356 54.455 54.840 -0.050 0.000 0.806 19 L CB 0.250 42.199 42.059 -0.183 0.000 1.175 19 L HN 0.408 nan 8.230 nan 0.000 0.431 20 W N 3.458 124.486 121.300 -0.454 0.000 3.167 20 W HA 0.625 5.283 4.660 -0.003 0.000 0.324 20 W C -2.290 173.772 176.519 -0.762 0.000 1.230 20 W CA -1.167 55.964 57.345 -0.357 0.000 1.184 20 W CB 0.784 30.226 29.460 -0.030 0.000 1.414 20 W HN 0.370 nan 8.180 nan 0.000 0.551 21 Y N 0.967 121.333 120.300 0.111 0.000 2.513 21 Y HA 0.307 4.855 4.550 -0.003 0.000 0.340 21 Y C 0.869 176.892 175.900 0.206 0.000 1.055 21 Y CA -1.189 56.901 58.100 -0.016 0.000 1.020 21 Y CB 2.812 41.251 38.460 -0.034 0.000 1.301 21 Y HN 0.349 nan 8.280 nan 0.000 0.453 22 K N 1.610 122.164 120.400 0.257 0.000 2.437 22 K HA 0.103 4.421 4.320 -0.003 0.000 0.198 22 K C -0.236 176.528 176.600 0.273 0.000 1.024 22 K CA 0.091 56.575 56.287 0.328 0.000 1.148 22 K CB 0.342 32.958 32.500 0.194 0.000 0.860 22 K HN 0.585 nan 8.250 nan 0.000 0.515 23 Q N -0.479 119.417 119.800 0.159 0.000 2.522 23 Q HA 0.367 4.706 4.340 -0.003 0.000 0.285 23 Q C -3.382 172.462 176.000 -0.260 0.000 0.982 23 Q CA -2.687 52.940 55.803 -0.293 0.000 0.805 23 Q CB 1.151 29.778 28.738 -0.185 0.000 1.457 23 Q HN -0.262 nan 8.270 nan 0.000 0.394 24 P HA 0.074 nan 4.420 nan 0.000 0.270 24 P C 0.405 177.644 177.300 -0.102 0.000 1.227 24 P CA 0.919 63.926 63.100 -0.155 0.000 0.788 24 P CB 0.352 31.945 31.700 -0.179 0.000 0.926 25 A N 1.600 124.388 122.820 -0.052 0.000 1.917 25 A HA -0.241 4.078 4.320 -0.003 0.000 0.219 25 A C 2.164 179.719 177.584 -0.049 0.000 1.182 25 A CA 2.669 54.622 52.037 -0.141 0.000 0.633 25 A CB -2.010 16.875 19.000 -0.191 0.000 0.819 25 A HN 0.641 nan 8.150 nan 0.000 0.448 26 S N -0.905 114.843 115.700 0.080 0.000 2.442 26 S HA -0.183 4.285 4.470 -0.003 0.000 0.236 26 S C 1.489 176.077 174.600 -0.020 0.000 1.007 26 S CA 1.451 59.695 58.200 0.073 0.000 0.965 26 S CB -0.334 62.911 63.200 0.075 0.000 0.773 26 S HN 0.725 nan 8.310 nan 0.000 0.504 27 Q N 0.616 120.373 119.800 -0.072 0.000 2.219 27 Q HA 0.235 4.573 4.340 -0.003 0.000 0.209 27 Q C -0.478 175.466 176.000 -0.093 0.000 0.854 27 Q CA -0.032 55.717 55.803 -0.089 0.000 0.960 27 Q CB 0.890 29.554 28.738 -0.123 0.000 1.116 27 Q HN 0.417 nan 8.270 nan 0.000 0.500 28 T N 1.113 115.597 114.554 -0.116 0.000 2.875 28 T HA 0.047 4.395 4.350 -0.003 0.000 0.284 28 T C -0.267 174.355 174.700 -0.129 0.000 0.995 28 T CA -0.621 61.399 62.100 -0.133 0.000 1.060 28 T CB 1.244 69.973 68.868 -0.232 0.000 0.967 28 T HN 0.041 nan 8.240 nan 0.000 0.476 29 D N 2.003 122.342 120.400 -0.101 0.000 2.502 29 D HA 0.096 4.735 4.640 -0.003 0.000 0.249 29 D C 0.012 176.229 176.300 -0.138 0.000 1.188 29 D CA 0.029 53.973 54.000 -0.092 0.000 0.890 29 D CB 0.412 41.177 40.800 -0.058 0.000 1.140 29 D HN 0.647 nan 8.370 nan 0.000 0.505 30 A N 3.035 125.768 122.820 -0.144 0.000 2.749 30 A HA 0.140 4.459 4.320 -0.003 0.000 0.299 30 A C 1.231 178.713 177.584 -0.169 0.000 1.105 30 A CA -0.232 51.680 52.037 -0.209 0.000 0.987 30 A CB -0.083 18.788 19.000 -0.214 0.000 1.180 30 A HN 0.539 nan 8.150 nan 0.000 0.528 31 T N -3.016 111.471 114.554 -0.112 0.000 3.107 31 T HA 0.477 4.825 4.350 -0.003 0.000 0.249 31 T C 0.934 175.597 174.700 -0.061 0.000 1.096 31 T CA 0.605 62.662 62.100 -0.072 0.000 1.012 31 T CB -0.184 68.660 68.868 -0.039 0.000 0.977 31 T HN 0.661 nan 8.240 nan 0.000 0.527 32 A N 1.838 124.611 122.820 -0.079 0.000 2.386 32 A HA 0.493 4.811 4.320 -0.003 0.000 0.246 32 A C 0.705 178.221 177.584 -0.113 0.000 1.089 32 A CA -0.412 51.591 52.037 -0.058 0.000 0.790 32 A CB -0.368 18.629 19.000 -0.005 0.000 1.042 32 A HN 0.404 nan 8.150 nan 0.000 0.497 33 T N 1.522 116.012 114.554 -0.105 0.000 2.866 33 T HA 0.253 4.601 4.350 -0.003 0.000 0.293 33 T C 1.524 176.179 174.700 -0.075 0.000 1.005 33 T CA 0.529 62.597 62.100 -0.054 0.000 1.162 33 T CB 0.686 69.577 68.868 0.038 0.000 0.968 33 T HN 0.896 nan 8.240 nan 0.000 0.530 34 A N 3.540 126.344 122.820 -0.027 0.000 1.874 34 A HA 0.503 4.822 4.320 -0.003 0.000 0.214 34 A C 1.489 179.116 177.584 0.072 0.000 1.189 34 A CA 0.905 52.931 52.037 -0.019 0.000 0.615 34 A CB -1.048 17.973 19.000 0.035 0.000 0.830 34 A HN 1.691 nan 8.150 nan 0.000 0.443 35 G N -2.487 106.387 108.800 0.123 0.000 2.795 35 G HA2 0.335 4.294 3.960 -0.003 0.000 0.664 35 G HA3 0.335 4.294 3.960 -0.003 0.000 0.664 35 G C 0.390 175.397 174.900 0.179 0.000 1.381 35 G CA -0.317 44.889 45.100 0.176 0.000 0.853 35 G HN 1.495 nan 8.290 nan 0.000 0.545 36 G N -0.573 108.293 108.800 0.109 0.000 2.414 36 G HA2 0.445 4.403 3.960 -0.003 0.000 0.236 36 G HA3 0.445 4.403 3.960 -0.003 0.000 0.236 36 G C 0.894 175.821 174.900 0.046 0.000 1.293 36 G CA 1.193 46.300 45.100 0.012 0.000 0.869 36 G HN 1.821 nan 8.290 nan 0.000 0.556 37 N N -0.263 118.415 118.700 -0.037 0.000 2.965 37 N HA -0.191 4.547 4.740 -0.003 0.000 0.232 37 N C -0.091 175.268 175.510 -0.252 0.000 0.913 37 N CA 1.543 54.498 53.050 -0.158 0.000 0.981 37 N CB -1.118 37.213 38.487 -0.259 0.000 1.077 37 N HN 0.717 nan 8.380 nan 0.000 0.589 38 Y N -0.284 120.016 120.300 -0.001 0.000 2.736 38 Y HA 0.424 4.972 4.550 -0.003 0.000 0.293 38 Y C 1.850 177.758 175.900 0.013 0.000 1.062 38 Y CA 0.138 58.254 58.100 0.027 0.000 1.247 38 Y CB 0.607 39.104 38.460 0.062 0.000 1.200 38 Y HN 0.115 nan 8.280 nan 0.000 0.552 39 G N 0.047 108.893 108.800 0.076 0.000 2.471 39 G HA2 -0.235 3.724 3.960 -0.003 0.000 0.219 39 G HA3 -0.235 3.724 3.960 -0.003 0.000 0.219 39 G C 0.740 175.663 174.900 0.039 0.000 1.125 39 G CA 0.096 45.224 45.100 0.048 0.000 0.775 39 G HN 0.219 nan 8.290 nan 0.000 0.548 40 N N 1.029 119.746 118.700 0.029 0.000 2.420 40 N HA 0.170 4.909 4.740 -0.003 0.000 0.262 40 N C -1.560 173.997 175.510 0.078 0.000 1.144 40 N CA -1.944 51.125 53.050 0.032 0.000 0.952 40 N CB 1.812 40.301 38.487 0.003 0.000 1.081 40 N HN -0.117 nan 8.380 nan 0.000 0.480 41 P HA -0.106 nan 4.420 nan 0.000 0.218 41 P C 0.636 178.011 177.300 0.125 0.000 1.148 41 P CA 1.024 64.169 63.100 0.076 0.000 0.822 41 P CB 0.355 32.083 31.700 0.046 0.000 0.784 42 D N -1.289 119.195 120.400 0.140 0.000 2.117 42 D HA -0.136 4.502 4.640 -0.003 0.000 0.198 42 D C 1.726 178.238 176.300 0.354 0.000 0.982 42 D CA 1.053 55.191 54.000 0.231 0.000 0.828 42 D CB -0.438 40.451 40.800 0.148 0.000 0.967 42 D HN -0.074 nan 8.370 nan 0.000 0.464 43 N N 0.237 119.096 118.700 0.265 0.000 2.142 43 N HA -0.160 4.578 4.740 -0.003 0.000 0.186 43 N C 1.522 177.366 175.510 0.558 0.000 1.023 43 N CA 0.811 54.069 53.050 0.347 0.000 0.852 43 N CB -0.659 37.886 38.487 0.097 0.000 0.998 43 N HN 0.267 nan 8.380 nan 0.000 0.424 44 N N 1.111 120.051 118.700 0.400 0.000 2.120 44 N HA -0.142 4.597 4.740 -0.003 0.000 0.188 44 N C 1.717 177.231 175.510 0.007 0.000 1.024 44 N CA 0.910 54.085 53.050 0.208 0.000 0.852 44 N CB -0.013 38.522 38.487 0.081 0.000 1.003 44 N HN 0.021 nan 8.380 nan 0.000 0.424 45 R N -0.531 120.010 120.500 0.068 0.000 2.091 45 R HA -0.131 4.207 4.340 -0.003 0.000 0.238 45 R C 1.920 178.069 176.300 -0.251 0.000 1.136 45 R CA 1.717 57.784 56.100 -0.056 0.000 0.959 45 R CB -1.083 29.291 30.300 0.122 0.000 0.856 45 R HN 0.536 nan 8.270 nan 0.000 0.437 46 W N 1.852 123.002 121.300 -0.249 0.000 2.317 46 W HA -0.324 4.334 4.660 -0.003 0.000 0.318 46 W C 2.071 178.371 176.519 -0.364 0.000 1.227 46 W CA 2.529 59.596 57.345 -0.463 0.000 1.269 46 W CB -0.514 28.979 29.460 0.055 0.000 1.155 46 W HN 0.427 nan 8.180 nan 0.000 0.484 47 Q N -0.733 118.948 119.800 -0.199 0.000 2.297 47 Q HA -0.173 4.166 4.340 -0.003 0.000 0.204 47 Q C 1.872 177.505 176.000 -0.611 0.000 0.962 47 Q CA 1.644 57.152 55.803 -0.490 0.000 0.879 47 Q CB -0.625 28.066 28.738 -0.080 0.000 0.947 47 Q HN 0.488 nan 8.270 nan 0.000 0.462 48 Q N 0.351 119.719 119.800 -0.721 0.000 2.396 48 Q HA 0.026 4.364 4.340 -0.003 0.000 0.209 48 Q C 1.149 176.802 176.000 -0.577 0.000 0.906 48 Q CA 1.466 56.818 55.803 -0.751 0.000 0.927 48 Q CB 0.959 29.193 28.738 -0.839 0.000 1.069 48 Q HN 0.655 nan 8.270 nan 0.000 0.523 49 T N -3.513 110.622 114.554 -0.699 0.000 2.993 49 T HA 0.045 4.393 4.350 -0.003 0.000 0.260 49 T C 0.948 175.138 174.700 -0.851 0.000 0.939 49 T CA 0.202 61.880 62.100 -0.702 0.000 0.886 49 T CB 0.229 68.759 68.868 -0.563 0.000 1.209 49 T HN 0.154 nan 8.240 nan 0.000 0.518 50 T N 1.298 115.240 114.554 -1.021 0.000 2.874 50 T HA 0.704 5.052 4.350 -0.003 0.000 0.281 50 T C -0.270 173.919 174.700 -0.852 0.000 0.994 50 T CA -0.855 60.661 62.100 -0.973 0.000 1.015 50 T CB 1.009 69.166 68.868 -1.185 0.000 1.028 50 T HN 0.276 nan 8.240 nan 0.000 0.523 51 L N 2.971 123.849 121.223 -0.575 0.000 2.305 51 L HA 0.474 4.813 4.340 -0.003 0.000 0.284 51 L C -2.230 174.473 176.870 -0.278 0.000 1.013 51 L CA -2.388 52.189 54.840 -0.437 0.000 0.819 51 L CB 2.180 44.078 42.059 -0.269 0.000 1.227 51 L HN 0.545 nan 8.230 nan 0.000 0.417 52 P HA 0.418 nan 4.420 nan 0.000 0.286 52 P C -1.301 176.046 177.300 0.079 0.000 1.261 52 P CA -0.315 62.502 63.100 -0.472 0.000 0.821 52 P CB 1.324 32.268 31.700 -1.260 0.000 1.013 53 F N -0.886 119.161 119.950 0.161 0.000 2.668 53 F HA 0.890 5.416 4.527 -0.003 0.000 0.309 53 F C -0.772 175.375 175.800 0.578 0.000 1.117 53 F CA -0.784 57.447 58.000 0.386 0.000 0.951 53 F CB 1.462 40.644 39.000 0.305 0.000 1.323 53 F HN 0.638 nan 8.300 nan 0.000 0.451 54 G N 0.896 109.988 108.800 0.486 0.000 2.506 54 G HA2 0.359 4.317 3.960 -0.003 0.000 0.292 54 G HA3 0.359 4.317 3.960 -0.003 0.000 0.292 54 G C -1.821 173.235 174.900 0.260 0.000 1.425 54 G CA -0.662 44.588 45.100 0.250 0.000 0.788 54 G HN 1.134 nan 8.290 nan 0.000 0.490 55 N N -1.032 117.757 118.700 0.148 0.000 2.282 55 N HA 0.370 5.109 4.740 -0.003 0.000 0.240 55 N C 1.334 176.896 175.510 0.088 0.000 1.182 55 N CA 0.699 53.850 53.050 0.168 0.000 0.874 55 N CB 0.869 39.469 38.487 0.188 0.000 1.126 55 N HN 2.028 nan 8.380 nan 0.000 0.516 56 G N 0.223 109.034 108.800 0.019 0.000 2.225 56 G HA2 -0.356 3.603 3.960 -0.003 0.000 0.254 56 G HA3 -0.356 3.603 3.960 -0.003 0.000 0.254 56 G C 0.828 175.690 174.900 -0.063 0.000 0.988 56 G CA 0.784 45.867 45.100 -0.028 0.000 0.625 56 G HN 0.496 nan 8.290 nan 0.000 0.527 57 K N -0.624 119.741 120.400 -0.057 0.000 2.509 57 K HA 0.400 4.718 4.320 -0.003 0.000 0.205 57 K C 1.186 177.714 176.600 -0.119 0.000 1.336 57 K CA 0.526 56.784 56.287 -0.048 0.000 0.912 57 K CB 0.467 32.978 32.500 0.018 0.000 1.568 57 K HN 0.558 nan 8.250 nan 0.000 0.475 58 I N -0.691 119.796 120.570 -0.139 0.000 2.498 58 I HA 0.642 4.811 4.170 -0.003 0.000 0.301 58 I C -0.192 175.712 176.117 -0.356 0.000 0.984 58 I CA -0.829 60.284 61.300 -0.312 0.000 1.204 58 I CB 1.836 39.693 38.000 -0.240 0.000 1.362 58 I HN 0.023 nan 8.210 nan 0.000 0.471 59 G N 2.296 110.756 108.800 -0.568 0.000 2.659 59 G HA2 0.697 4.656 3.960 -0.003 0.000 0.296 59 G HA3 0.697 4.656 3.960 -0.003 0.000 0.296 59 G C -1.138 173.464 174.900 -0.495 0.000 1.369 59 G CA -0.834 44.000 45.100 -0.444 0.000 0.937 59 G HN 1.025 nan 8.290 nan 0.000 0.485 60 G N -0.550 107.844 108.800 -0.678 0.000 2.533 60 G HA2 0.721 4.679 3.960 -0.003 0.000 0.304 60 G HA3 0.721 4.679 3.960 -0.003 0.000 0.304 60 G C -0.632 174.182 174.900 -0.145 0.000 1.263 60 G CA -0.564 44.250 45.100 -0.477 0.000 0.964 60 G HN 0.993 nan 8.290 nan 0.000 0.479 61 T N -1.151 113.485 114.554 0.137 0.000 2.890 61 T HA 0.528 4.877 4.350 -0.003 0.000 0.295 61 T C -0.485 174.271 174.700 0.093 0.000 0.993 61 T CA -0.585 61.572 62.100 0.095 0.000 0.979 61 T CB 1.511 70.507 68.868 0.213 0.000 0.967 61 T HN 0.385 nan 8.240 nan 0.000 0.441 62 V N 3.631 123.539 119.914 -0.010 0.000 2.432 62 V HA 0.209 4.327 4.120 -0.003 0.000 0.275 62 V C 0.286 176.353 176.094 -0.045 0.000 1.043 62 V CA -0.469 61.822 62.300 -0.017 0.000 0.925 62 V CB 0.737 32.512 31.823 -0.080 0.000 0.985 62 V HN 0.993 nan 8.190 nan 0.000 0.466 63 W N 2.413 123.665 121.300 -0.081 0.000 2.539 63 W HA 0.339 4.998 4.660 -0.003 0.000 0.281 63 W C 1.907 178.416 176.519 -0.016 0.000 1.220 63 W CA 0.682 57.990 57.345 -0.062 0.000 1.332 63 W CB -0.382 29.064 29.460 -0.024 0.000 1.095 63 W HN 0.862 nan 8.180 nan 0.000 0.571 64 G N 0.933 109.895 108.800 0.270 0.000 2.198 64 G HA2 -0.257 3.702 3.960 -0.003 0.000 0.257 64 G HA3 -0.257 3.702 3.960 -0.003 0.000 0.257 64 G C 0.066 175.138 174.900 0.285 0.000 1.042 64 G CA -0.132 45.141 45.100 0.287 0.000 0.791 64 G HN 0.099 nan 8.290 nan 0.000 0.502 65 E N -0.431 119.887 120.200 0.197 0.000 2.398 65 E HA 0.314 4.662 4.350 -0.003 0.000 0.263 65 E C 1.766 178.361 176.600 -0.009 0.000 1.046 65 E CA -0.088 56.357 56.400 0.075 0.000 0.908 65 E CB 1.272 31.000 29.700 0.047 0.000 0.963 65 E HN 0.088 nan 8.360 nan 0.000 0.431 66 V N 1.973 121.786 119.914 -0.169 0.000 2.244 66 V HA -0.229 3.890 4.120 -0.003 0.000 0.244 66 V C 2.147 178.104 176.094 -0.229 0.000 1.042 66 V CA 2.334 64.369 62.300 -0.442 0.000 1.006 66 V CB -0.319 31.168 31.823 -0.560 0.000 0.641 66 V HN 0.653 nan 8.190 nan 0.000 0.446 67 S N -1.122 114.511 115.700 -0.111 0.000 2.438 67 S HA 0.080 4.548 4.470 -0.003 0.000 0.220 67 S C 1.455 176.013 174.600 -0.071 0.000 1.045 67 S CA 0.035 58.161 58.200 -0.122 0.000 0.940 67 S CB -0.007 63.174 63.200 -0.032 0.000 0.863 67 S HN 0.433 nan 8.310 nan 0.000 0.539 68 R N 2.047 122.533 120.500 -0.024 0.000 3.171 68 R HA 0.254 4.593 4.340 -0.003 0.000 0.241 68 R C -0.665 175.686 176.300 0.085 0.000 1.421 68 R CA -0.236 55.887 56.100 0.039 0.000 1.444 68 R CB 0.148 30.442 30.300 -0.011 0.000 1.247 68 R HN 0.231 nan 8.270 nan 0.000 0.636 69 E N 2.304 122.576 120.200 0.119 0.000 2.398 69 E HA 0.008 4.357 4.350 -0.003 0.000 0.263 69 E C -0.900 175.744 176.600 0.074 0.000 1.046 69 E CA 0.174 56.644 56.400 0.117 0.000 0.908 69 E CB 0.654 30.457 29.700 0.172 0.000 0.963 69 E HN 0.457 nan 8.360 nan 0.000 0.431 70 R N 2.802 123.279 120.500 -0.038 0.000 2.564 70 R HA 0.496 4.834 4.340 -0.003 0.000 0.284 70 R C -1.869 174.393 176.300 -0.063 0.000 1.031 70 R CA -0.755 55.158 56.100 -0.313 0.000 0.904 70 R CB 1.428 31.286 30.300 -0.736 0.000 1.199 70 R HN 0.395 nan 8.270 nan 0.000 0.443 71 V N 3.642 123.494 119.914 -0.104 0.000 2.349 71 V HA 0.260 4.379 4.120 -0.003 0.000 0.284 71 V C -0.055 176.110 176.094 0.118 0.000 1.014 71 V CA -0.709 61.621 62.300 0.051 0.000 0.826 71 V CB 1.698 33.484 31.823 -0.061 0.000 1.009 71 V HN 0.818 nan 8.190 nan 0.000 0.431 72 T N 5.806 120.549 114.554 0.316 0.000 2.916 72 T HA 0.329 4.677 4.350 -0.003 0.000 0.303 72 T C -0.577 174.286 174.700 0.271 0.000 1.025 72 T CA 0.595 62.877 62.100 0.304 0.000 1.142 72 T CB 0.140 69.305 68.868 0.496 0.000 0.947 72 T HN 0.431 nan 8.240 nan 0.000 0.544 73 F N 3.690 123.670 119.950 0.050 0.000 2.520 73 F HA 0.524 5.050 4.527 -0.003 0.000 0.322 73 F C -0.129 175.676 175.800 0.009 0.000 1.103 73 F CA -0.883 57.108 58.000 -0.014 0.000 0.926 73 F CB 1.326 40.269 39.000 -0.096 0.000 1.154 73 F HN 0.421 nan 8.300 nan 0.000 0.453 74 N N 3.696 121.939 118.700 -0.762 0.000 2.229 74 N HA 0.250 4.988 4.740 -0.003 0.000 0.298 74 N C -1.867 173.222 175.510 -0.701 0.000 1.114 74 N CA -0.618 52.151 53.050 -0.469 0.000 0.776 74 N CB 2.500 40.846 38.487 -0.235 0.000 1.501 74 N HN 0.585 nan 8.380 nan 0.000 0.474 75 E N 1.237 121.333 120.200 -0.173 0.000 2.256 75 E HA 0.085 4.433 4.350 -0.003 0.000 0.268 75 E C 0.224 176.934 176.600 0.183 0.000 0.877 75 E CA -0.229 56.144 56.400 -0.044 0.000 0.757 75 E CB 1.746 31.494 29.700 0.080 0.000 1.183 75 E HN 0.708 nan 8.360 nan 0.000 0.418 76 E N 1.354 121.628 120.200 0.123 0.000 2.267 76 E HA -0.181 4.168 4.350 -0.003 0.000 0.197 76 E C 0.997 177.773 176.600 0.293 0.000 0.998 76 E CA 1.778 58.279 56.400 0.168 0.000 0.830 76 E CB -0.162 29.539 29.700 0.003 0.000 0.751 76 E HN 0.411 nan 8.360 nan 0.000 0.491 77 T N -1.260 113.433 114.554 0.232 0.000 3.122 77 T HA 0.168 4.516 4.350 -0.003 0.000 0.250 77 T C 0.518 175.365 174.700 0.243 0.000 1.067 77 T CA -0.524 61.646 62.100 0.116 0.000 0.966 77 T CB 0.017 68.897 68.868 0.019 0.000 1.002 77 T HN 0.069 nan 8.240 nan 0.000 0.542 78 L N 2.321 123.694 121.223 0.250 0.000 2.395 78 L HA 0.477 4.815 4.340 -0.003 0.000 0.268 78 L C -1.320 175.492 176.870 -0.096 0.000 1.223 78 L CA -0.474 54.373 54.840 0.011 0.000 1.093 78 L CB -0.709 41.252 42.059 -0.162 0.000 1.349 78 L HN 0.372 nan 8.230 nan 0.000 0.427 79 W N 3.242 124.503 121.300 -0.065 0.000 2.600 79 W HA 0.471 5.130 4.660 -0.002 0.000 0.325 79 W C 0.475 177.048 176.519 0.090 0.000 1.034 79 W CA -0.468 56.874 57.345 -0.005 0.000 1.226 79 W CB 1.773 31.189 29.460 -0.073 0.000 1.379 79 W HN 0.490 nan 8.180 nan 0.000 0.466 80 T N 0.915 115.566 114.554 0.163 0.000 2.754 80 T HA 0.793 5.142 4.350 -0.003 0.000 0.286 80 T C 0.704 175.546 174.700 0.236 0.000 0.997 80 T CA 0.512 62.674 62.100 0.103 0.000 0.982 80 T CB 1.073 69.906 68.868 -0.060 0.000 1.027 80 T HN 1.282 nan 8.240 nan 0.000 0.529 81 G N -1.058 107.734 108.800 -0.012 0.000 2.685 81 G HA2 0.419 4.378 3.960 -0.003 0.000 0.387 81 G HA3 0.419 4.378 3.960 -0.003 0.000 0.387 81 G C 0.277 174.802 174.900 -0.625 0.000 1.324 81 G CA -0.024 44.991 45.100 -0.141 0.000 0.878 81 G HN 2.698 nan 8.290 nan 0.000 0.527 82 G N -0.993 107.287 108.800 -0.867 0.000 2.681 82 G HA2 0.278 4.237 3.960 -0.003 0.000 0.220 82 G HA3 0.278 4.237 3.960 -0.003 0.000 0.220 82 G C -2.143 171.888 174.900 -1.448 0.000 1.353 82 G CA 0.563 44.660 45.100 -1.671 0.000 0.872 82 G HN 1.565 nan 8.290 nan 0.000 0.557 83 P HA 0.344 nan 4.420 nan 0.000 0.268 83 P C 1.091 178.225 177.300 -0.277 0.000 1.204 83 P CA 1.973 64.856 63.100 -0.361 0.000 0.768 83 P CB 0.689 32.333 31.700 -0.093 0.000 0.842 84 G N 2.508 111.231 108.800 -0.129 0.000 2.234 84 G HA2 -0.309 3.649 3.960 -0.003 0.000 0.235 84 G HA3 -0.309 3.649 3.960 -0.003 0.000 0.235 84 G C 1.070 175.921 174.900 -0.082 0.000 0.997 84 G CA 0.466 45.512 45.100 -0.090 0.000 0.623 84 G HN 0.637 nan 8.290 nan 0.000 0.514 85 S N -0.400 115.227 115.700 -0.121 0.000 2.527 85 S HA 0.519 4.987 4.470 -0.003 0.000 0.222 85 S C 0.999 175.614 174.600 0.024 0.000 0.985 85 S CA 1.433 59.594 58.200 -0.065 0.000 0.921 85 S CB 0.039 63.174 63.200 -0.108 0.000 0.772 85 S HN 2.189 nan 8.310 nan 0.000 0.529 86 S N 0.034 115.772 115.700 0.063 0.000 2.672 86 S HA 0.458 4.926 4.470 -0.003 0.000 0.271 86 S C 0.390 175.043 174.600 0.089 0.000 1.171 86 S CA -0.035 58.221 58.200 0.093 0.000 0.817 86 S CB 0.727 64.017 63.200 0.149 0.000 1.150 86 S HN 0.323 nan 8.310 nan 0.000 0.478 87 T N -1.388 113.213 114.554 0.079 0.000 3.129 87 T HA 0.222 4.571 4.350 -0.003 0.000 0.251 87 T C 1.008 175.757 174.700 0.082 0.000 1.117 87 T CA 0.733 62.873 62.100 0.067 0.000 1.034 87 T CB -0.593 68.303 68.868 0.048 0.000 0.968 87 T HN 1.249 nan 8.240 nan 0.000 0.526 88 S N -0.759 115.009 115.700 0.114 0.000 3.031 88 S HA 0.261 4.730 4.470 -0.003 0.000 0.253 88 S C -0.202 174.481 174.600 0.138 0.000 0.996 88 S CA -0.914 57.348 58.200 0.104 0.000 1.098 88 S CB -0.903 62.342 63.200 0.074 0.000 1.042 88 S HN 0.427 nan 8.310 nan 0.000 0.593 89 Y N 3.245 123.593 120.300 0.079 0.000 2.802 89 Y HA 0.279 4.827 4.550 -0.002 0.000 0.333 89 Y C 0.578 176.552 175.900 0.123 0.000 1.244 89 Y CA 0.611 58.782 58.100 0.119 0.000 1.558 89 Y CB 0.286 38.806 38.460 0.100 0.000 1.233 89 Y HN 0.429 nan 8.280 nan 0.000 0.547 90 N N 3.820 122.220 118.700 -0.501 0.000 2.598 90 N HA 0.167 4.906 4.740 -0.003 0.000 0.295 90 N C 0.386 175.635 175.510 -0.434 0.000 1.729 90 N CA 0.518 53.382 53.050 -0.310 0.000 0.877 90 N CB 0.091 38.511 38.487 -0.112 0.000 1.405 90 N HN 0.933 nan 8.380 nan 0.000 0.491 91 G N -0.113 108.151 108.800 -0.893 0.000 2.187 91 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.261 91 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.261 91 G C 1.026 175.543 174.900 -0.639 0.000 1.000 91 G CA 0.672 45.525 45.100 -0.413 0.000 0.718 91 G HN 1.399 nan 8.290 nan 0.000 0.519 92 G N -1.504 106.863 108.800 -0.721 0.000 2.176 92 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.253 92 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.253 92 G C 0.195 174.861 174.900 -0.390 0.000 0.979 92 G CA 0.583 45.150 45.100 -0.889 0.000 0.641 92 G HN 1.281 nan 8.290 nan 0.000 0.530 93 N N 1.181 119.742 118.700 -0.232 0.000 2.483 93 N HA 0.362 5.100 4.740 -0.003 0.000 0.264 93 N C -0.200 175.298 175.510 -0.021 0.000 1.197 93 N CA 0.123 53.165 53.050 -0.015 0.000 0.927 93 N CB 0.436 38.924 38.487 0.001 0.000 1.065 93 N HN 0.232 nan 8.380 nan 0.000 0.461 94 N N 1.833 120.554 118.700 0.036 0.000 2.564 94 N HA 0.083 4.821 4.740 -0.003 0.000 0.248 94 N C 0.035 175.446 175.510 -0.165 0.000 0.986 94 N CA -0.208 52.826 53.050 -0.026 0.000 0.921 94 N CB 0.707 39.226 38.487 0.054 0.000 1.136 94 N HN 0.539 nan 8.380 nan 0.000 0.509 95 E N 1.019 121.132 120.200 -0.146 0.000 2.153 95 E HA -0.110 4.238 4.350 -0.003 0.000 0.194 95 E C 0.772 177.288 176.600 -0.139 0.000 0.988 95 E CA 1.333 57.630 56.400 -0.172 0.000 0.811 95 E CB 0.276 29.912 29.700 -0.108 0.000 0.746 95 E HN 0.587 nan 8.360 nan 0.000 0.466 96 T N 1.185 115.687 114.554 -0.086 0.000 2.867 96 T HA -0.079 4.269 4.350 -0.003 0.000 0.268 96 T C 1.659 176.322 174.700 -0.061 0.000 1.057 96 T CA 0.765 62.829 62.100 -0.059 0.000 1.136 96 T CB 0.075 68.925 68.868 -0.030 0.000 0.874 96 T HN 0.014 nan 8.240 nan 0.000 0.466 97 K N 0.929 121.291 120.400 -0.062 0.000 2.044 97 K HA 0.109 4.427 4.320 -0.003 0.000 0.204 97 K C 2.671 179.227 176.600 -0.073 0.000 1.049 97 K CA 1.228 57.502 56.287 -0.022 0.000 0.945 97 K CB -0.899 31.654 32.500 0.088 0.000 0.724 97 K HN 0.408 nan 8.250 nan 0.000 0.440 98 G N 0.819 109.447 108.800 -0.286 0.000 2.403 98 G HA2 -0.191 3.768 3.960 -0.003 0.000 0.216 98 G HA3 -0.191 3.768 3.960 -0.003 0.000 0.216 98 G C 0.299 175.091 174.900 -0.181 0.000 1.154 98 G CA 0.092 44.959 45.100 -0.389 0.000 0.784 98 G HN 0.277 nan 8.290 nan 0.000 0.538 99 Q N -0.313 119.389 119.800 -0.164 0.000 2.453 99 Q HA -0.209 4.130 4.340 -0.003 0.000 0.294 99 Q C 0.217 176.172 176.000 -0.074 0.000 1.295 99 Q CA 1.024 56.771 55.803 -0.094 0.000 0.853 99 Q CB -2.526 26.176 28.738 -0.060 0.000 1.193 99 Q HN 0.872 nan 8.270 nan 0.000 0.461 100 N N -1.155 117.486 118.700 -0.099 0.000 2.716 100 N HA -0.297 4.441 4.740 -0.003 0.000 0.250 100 N C 0.772 176.276 175.510 -0.011 0.000 1.033 100 N CA 0.953 53.969 53.050 -0.057 0.000 0.727 100 N CB -0.972 37.493 38.487 -0.037 0.000 0.950 100 N HN 0.845 nan 8.380 nan 0.000 0.541 101 G N -1.829 106.973 108.800 0.002 0.000 2.195 101 G HA2 -0.324 3.634 3.960 -0.003 0.000 0.246 101 G HA3 -0.324 3.634 3.960 -0.003 0.000 0.246 101 G C 1.003 175.925 174.900 0.036 0.000 0.984 101 G CA 0.573 45.707 45.100 0.058 0.000 0.633 101 G HN 0.793 nan 8.290 nan 0.000 0.525 102 A N -0.159 122.665 122.820 0.005 0.000 1.969 102 A HA 0.225 4.544 4.320 -0.003 0.000 0.218 102 A C 2.410 179.987 177.584 -0.011 0.000 1.169 102 A CA 2.737 54.771 52.037 -0.004 0.000 0.635 102 A CB -0.728 18.263 19.000 -0.015 0.000 0.810 102 A HN 0.747 nan 8.150 nan 0.000 0.445 103 T N 0.198 114.743 114.554 -0.016 0.000 2.701 103 T HA -0.132 4.216 4.350 -0.003 0.000 0.263 103 T C 1.853 176.527 174.700 -0.043 0.000 1.040 103 T CA 1.523 63.602 62.100 -0.034 0.000 1.147 103 T CB -0.399 68.448 68.868 -0.035 0.000 0.865 103 T HN 0.316 nan 8.240 nan 0.000 0.426 104 L N 1.478 122.694 121.223 -0.011 0.000 2.017 104 L HA 0.004 4.342 4.340 -0.003 0.000 0.208 104 L C 2.522 179.381 176.870 -0.018 0.000 1.073 104 L CA 1.792 56.623 54.840 -0.014 0.000 0.745 104 L CB -0.614 41.497 42.059 0.087 0.000 0.894 104 L HN 0.084 nan 8.230 nan 0.000 0.432 105 R N -0.627 119.874 120.500 0.002 0.000 2.083 105 R HA -0.181 4.158 4.340 -0.003 0.000 0.237 105 R C 2.129 178.427 176.300 -0.004 0.000 1.137 105 R CA 1.581 57.681 56.100 0.001 0.000 0.951 105 R CB -0.420 29.885 30.300 0.008 0.000 0.851 105 R HN 0.517 nan 8.270 nan 0.000 0.434 106 A N 0.753 123.565 122.820 -0.014 0.000 1.930 106 A HA -0.082 4.236 4.320 -0.003 0.000 0.217 106 A C 2.175 179.745 177.584 -0.023 0.000 1.175 106 A CA 1.017 53.044 52.037 -0.016 0.000 0.627 106 A CB -0.407 18.578 19.000 -0.025 0.000 0.815 106 A HN 0.340 nan 8.150 nan 0.000 0.443 107 L N -0.236 120.958 121.223 -0.048 0.000 2.046 107 L HA -0.198 4.141 4.340 -0.003 0.000 0.208 107 L C 2.252 179.107 176.870 -0.025 0.000 1.077 107 L CA 1.229 56.032 54.840 -0.062 0.000 0.747 107 L CB -0.595 41.393 42.059 -0.120 0.000 0.896 107 L HN 0.325 nan 8.230 nan 0.000 0.432 108 N N 0.092 118.774 118.700 -0.029 0.000 2.166 108 N HA -0.203 4.535 4.740 -0.003 0.000 0.186 108 N C 1.724 177.318 175.510 0.139 0.000 1.019 108 N CA 1.081 54.126 53.050 -0.009 0.000 0.856 108 N CB -0.176 38.224 38.487 -0.144 0.000 0.993 108 N HN 0.301 nan 8.380 nan 0.000 0.426 109 K N 1.100 121.551 120.400 0.085 0.000 2.057 109 K HA -0.106 4.212 4.320 -0.003 0.000 0.207 109 K C 1.806 178.445 176.600 0.065 0.000 1.049 109 K CA 1.103 57.439 56.287 0.082 0.000 0.931 109 K CB 0.062 32.588 32.500 0.044 0.000 0.714 109 K HN 0.231 nan 8.250 nan 0.000 0.440 110 Q N 0.421 120.246 119.800 0.042 0.000 2.061 110 Q HA -0.173 4.166 4.340 -0.003 0.000 0.204 110 Q C 2.246 178.278 176.000 0.055 0.000 0.984 110 Q CA 1.711 57.533 55.803 0.031 0.000 0.846 110 Q CB -0.133 28.608 28.738 0.005 0.000 0.902 110 Q HN 0.329 nan 8.270 nan 0.000 0.421 111 L N 0.019 121.296 121.223 0.090 0.000 2.017 111 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 111 L C 2.516 179.459 176.870 0.123 0.000 1.073 111 L CA 1.020 55.937 54.840 0.129 0.000 0.745 111 L CB -0.604 41.566 42.059 0.186 0.000 0.894 111 L HN 0.199 nan 8.230 nan 0.000 0.432 112 A N -0.058 122.847 122.820 0.142 0.000 2.019 112 A HA -0.175 4.144 4.320 -0.003 0.000 0.219 112 A C 1.845 179.436 177.584 0.010 0.000 1.164 112 A CA 1.657 53.704 52.037 0.017 0.000 0.644 112 A CB -0.498 18.502 19.000 0.000 0.000 0.805 112 A HN 0.437 nan 8.150 nan 0.000 0.449 113 N N -0.971 117.748 118.700 0.032 0.000 2.461 113 N HA 0.168 4.906 4.740 -0.003 0.000 0.188 113 N C 1.066 176.588 175.510 0.020 0.000 1.134 113 N CA 1.110 54.172 53.050 0.020 0.000 0.878 113 N CB 0.539 39.037 38.487 0.019 0.000 0.972 113 N HN 0.657 nan 8.380 nan 0.000 0.456 114 G N -1.084 107.734 108.800 0.030 0.000 2.205 114 G HA2 -0.149 3.810 3.960 -0.003 0.000 0.180 114 G HA3 -0.149 3.810 3.960 -0.003 0.000 0.180 114 G C 0.186 175.112 174.900 0.042 0.000 1.004 114 G CA -0.100 45.019 45.100 0.032 0.000 0.670 114 G HN 0.519 nan 8.290 nan 0.000 0.496 115 A N 0.466 123.313 122.820 0.045 0.000 2.511 115 A HA 0.594 4.913 4.320 -0.003 0.000 0.242 115 A C 1.109 178.743 177.584 0.083 0.000 1.069 115 A CA 1.120 53.184 52.037 0.045 0.000 0.763 115 A CB 0.232 19.252 19.000 0.033 0.000 1.001 115 A HN 0.445 nan 8.150 nan 0.000 0.498 116 E N 0.353 120.600 120.200 0.080 0.000 2.170 116 E HA -0.007 4.342 4.350 -0.003 0.000 0.191 116 E C 0.562 177.280 176.600 0.197 0.000 0.981 116 E CA 1.319 57.815 56.400 0.160 0.000 0.830 116 E CB 0.131 29.859 29.700 0.047 0.000 0.775 116 E HN 0.876 nan 8.360 nan 0.000 0.470 117 T N -1.714 112.895 114.554 0.092 0.000 2.900 117 T HA 0.563 4.912 4.350 -0.003 0.000 0.303 117 T C -0.367 174.342 174.700 0.014 0.000 1.142 117 T CA -0.961 61.182 62.100 0.071 0.000 1.007 117 T CB 1.964 70.853 68.868 0.035 0.000 1.156 117 T HN -0.048 nan 8.240 nan 0.000 0.490 118 V N -0.637 119.266 119.914 -0.018 0.000 3.158 118 V HA 0.793 4.911 4.120 -0.003 0.000 0.311 118 V C -0.902 175.113 176.094 -0.132 0.000 1.181 118 V CA -1.256 61.003 62.300 -0.069 0.000 1.054 118 V CB 1.920 33.697 31.823 -0.076 0.000 1.085 118 V HN 0.986 nan 8.190 nan 0.000 0.446 119 N N 2.529 121.132 118.700 -0.163 0.000 2.527 119 N HA 0.522 5.261 4.740 -0.003 0.000 0.236 119 N C -1.915 173.393 175.510 -0.337 0.000 0.999 119 N CA -2.172 50.742 53.050 -0.226 0.000 0.935 119 N CB 1.334 39.723 38.487 -0.162 0.000 1.132 119 N HN 0.665 nan 8.380 nan 0.000 0.511 120 P HA 0.208 nan 4.420 nan 0.000 0.258 120 P C 1.045 177.870 177.300 -0.793 0.000 1.416 120 P CA -0.102 62.501 63.100 -0.829 0.000 0.927 120 P CB 0.038 30.854 31.700 -1.473 0.000 1.444 121 G N 1.478 109.988 108.800 -0.483 0.000 2.479 121 G HA2 -0.245 3.713 3.960 -0.003 0.000 0.220 121 G HA3 -0.245 3.713 3.960 -0.003 0.000 0.220 121 G C 1.293 176.098 174.900 -0.159 0.000 1.115 121 G CA 0.377 45.314 45.100 -0.273 0.000 0.757 121 G HN 0.245 nan 8.290 nan 0.000 0.560 122 N N 0.104 118.703 118.700 -0.168 0.000 2.515 122 N HA 0.049 4.788 4.740 -0.003 0.000 0.185 122 N C 0.789 176.275 175.510 -0.040 0.000 1.109 122 N CA 0.123 53.120 53.050 -0.087 0.000 0.903 122 N CB 0.002 38.439 38.487 -0.084 0.000 0.969 122 N HN 0.265 nan 8.380 nan 0.000 0.450 123 L N 1.677 122.845 121.223 -0.093 0.000 2.399 123 L HA 0.177 4.516 4.340 -0.003 0.000 0.257 123 L C 0.327 177.242 176.870 0.074 0.000 1.236 123 L CA -0.189 54.620 54.840 -0.053 0.000 1.144 123 L CB -0.692 41.059 42.059 -0.513 0.000 1.379 123 L HN 0.063 nan 8.230 nan 0.000 0.414 124 T N -2.139 112.486 114.554 0.119 0.000 2.865 124 T HA 0.929 5.277 4.350 -0.003 0.000 0.294 124 T C -0.126 174.632 174.700 0.096 0.000 1.119 124 T CA -0.367 61.751 62.100 0.031 0.000 1.007 124 T CB 2.736 71.601 68.868 -0.005 0.000 1.225 124 T HN 0.343 nan 8.240 nan 0.000 0.515 125 G N -1.663 107.135 108.800 -0.002 0.000 2.570 125 G HA2 0.585 4.543 3.960 -0.003 0.000 0.310 125 G HA3 0.585 4.543 3.960 -0.003 0.000 0.310 125 G C 0.360 175.260 174.900 0.000 0.000 1.266 125 G CA -0.048 45.064 45.100 0.021 0.000 0.825 125 G HN 2.039 nan 8.290 nan 0.000 0.483 126 G N -0.738 108.021 108.800 -0.067 0.000 2.295 126 G HA2 -0.161 3.797 3.960 -0.003 0.000 0.287 126 G HA3 -0.161 3.797 3.960 -0.003 0.000 0.287 126 G C 0.565 175.754 174.900 0.481 0.000 1.055 126 G CA 1.198 46.374 45.100 0.125 0.000 0.922 126 G HN 0.778 nan 8.290 nan 0.000 0.503 127 E N -0.273 120.120 120.200 0.323 0.000 2.299 127 E HA 0.020 4.368 4.350 -0.003 0.000 0.193 127 E C 1.269 178.055 176.600 0.310 0.000 0.998 127 E CA 0.430 57.001 56.400 0.286 0.000 0.851 127 E CB 0.184 29.993 29.700 0.183 0.000 0.795 127 E HN 0.437 nan 8.360 nan 0.000 0.492 128 N N 0.558 119.483 118.700 0.375 0.000 2.462 128 N HA 0.171 4.910 4.740 -0.003 0.000 0.242 128 N C 0.272 175.936 175.510 0.257 0.000 1.010 128 N CA 0.032 53.257 53.050 0.291 0.000 0.939 128 N CB 1.151 39.804 38.487 0.277 0.000 1.127 128 N HN 0.050 nan 8.380 nan 0.000 0.509 129 A N 3.599 126.531 122.820 0.187 0.000 2.019 129 A HA -0.051 4.267 4.320 -0.003 0.000 0.219 129 A C 1.962 179.556 177.584 0.018 0.000 1.164 129 A CA 1.695 53.801 52.037 0.115 0.000 0.644 129 A CB -0.415 18.667 19.000 0.136 0.000 0.805 129 A HN 0.697 nan 8.150 nan 0.000 0.449 130 A N -0.334 122.514 122.820 0.047 0.000 1.968 130 A HA -0.077 4.241 4.320 -0.003 0.000 0.217 130 A C 1.903 179.490 177.584 0.005 0.000 1.169 130 A CA 1.361 53.408 52.037 0.017 0.000 0.638 130 A CB -0.332 18.690 19.000 0.037 0.000 0.812 130 A HN 0.614 nan 8.150 nan 0.000 0.446 131 E N -0.722 119.525 120.200 0.077 0.000 2.072 131 E HA -0.213 4.135 4.350 -0.003 0.000 0.190 131 E C 2.221 178.741 176.600 -0.134 0.000 0.982 131 E CA 1.164 57.668 56.400 0.173 0.000 0.803 131 E CB -0.132 29.899 29.700 0.552 0.000 0.755 131 E HN 0.796 nan 8.360 nan 0.000 0.453 132 Q N 0.398 119.830 119.800 -0.613 0.000 2.050 132 Q HA -0.102 4.236 4.340 -0.003 0.000 0.202 132 Q C 0.993 176.735 176.000 -0.431 0.000 0.980 132 Q CA 1.375 56.426 55.803 -1.253 0.000 0.840 132 Q CB -0.097 27.989 28.738 -1.085 0.000 0.898 132 Q HN 0.240 nan 8.270 nan 0.000 0.424 133 G N 1.087 109.765 108.800 -0.203 0.000 2.645 133 G HA2 -0.307 3.652 3.960 -0.003 0.000 0.246 133 G HA3 -0.307 3.652 3.960 -0.003 0.000 0.246 133 G C -0.642 174.240 174.900 -0.029 0.000 1.322 133 G CA -0.015 45.060 45.100 -0.041 0.000 0.898 133 G HN 0.852 nan 8.290 nan 0.000 0.573 134 N N -2.717 115.937 118.700 -0.076 0.000 3.348 134 N HA 0.435 5.173 4.740 -0.003 0.000 0.233 134 N C -1.259 173.613 175.510 -1.063 0.000 1.440 134 N CA -0.648 52.106 53.050 -0.493 0.000 0.887 134 N CB 0.616 38.882 38.487 -0.368 0.000 1.410 134 N HN 1.149 nan 8.380 nan 0.000 0.502 135 Y N 0.780 120.066 120.300 -1.690 0.000 2.359 135 Y HA 0.546 5.094 4.550 -0.003 0.000 0.330 135 Y C -0.436 174.994 175.900 -0.783 0.000 1.143 135 Y CA -0.411 56.756 58.100 -1.556 0.000 1.318 135 Y CB 0.465 38.150 38.460 -1.293 0.000 1.234 135 Y HN 0.488 nan 8.280 nan 0.000 0.522 136 L N 5.927 126.504 121.223 -1.077 0.000 2.317 136 L HA 0.284 4.622 4.340 -0.003 0.000 0.281 136 L C -0.151 176.206 176.870 -0.855 0.000 1.024 136 L CA -1.127 53.225 54.840 -0.814 0.000 0.810 136 L CB 1.392 42.975 42.059 -0.793 0.000 1.240 136 L HN 0.689 nan 8.230 nan 0.000 0.427 137 N N 1.858 120.246 118.700 -0.519 0.000 2.412 137 N HA -0.147 4.592 4.740 -0.003 0.000 0.258 137 N C 0.593 176.044 175.510 -0.098 0.000 1.236 137 N CA 0.216 53.083 53.050 -0.304 0.000 0.882 137 N CB 0.727 39.078 38.487 -0.227 0.000 1.066 137 N HN 0.629 nan 8.380 nan 0.000 0.465 138 W N 4.364 125.558 121.300 -0.177 0.000 2.408 138 W HA 0.134 4.792 4.660 -0.003 0.000 0.311 138 W C 0.560 177.134 176.519 0.092 0.000 1.190 138 W CA 1.961 59.298 57.345 -0.014 0.000 1.321 138 W CB -0.645 28.899 29.460 0.141 0.000 1.143 138 W HN 0.651 nan 8.180 nan 0.000 0.501 139 G N -0.709 108.368 108.800 0.461 0.000 2.512 139 G HA2 0.098 4.057 3.960 -0.003 0.000 0.181 139 G HA3 0.098 4.057 3.960 -0.003 0.000 0.181 139 G C -1.736 173.286 174.900 0.203 0.000 1.173 139 G CA -0.495 44.767 45.100 0.270 0.000 0.988 139 G HN 0.009 nan 8.290 nan 0.000 0.485 140 D N -0.262 120.207 120.400 0.116 0.000 2.661 140 D HA 0.483 5.121 4.640 -0.003 0.000 0.228 140 D C -0.915 175.324 176.300 -0.102 0.000 1.183 140 D CA -0.313 53.655 54.000 -0.054 0.000 0.844 140 D CB 2.783 43.380 40.800 -0.338 0.000 1.555 140 D HN 0.341 nan 8.370 nan 0.000 0.453 141 I N 1.685 122.162 120.570 -0.155 0.000 2.315 141 I HA 0.217 4.385 4.170 -0.003 0.000 0.291 141 I C -0.840 175.139 176.117 -0.230 0.000 1.006 141 I CA -0.492 60.735 61.300 -0.121 0.000 1.265 141 I CB 0.526 38.492 38.000 -0.056 0.000 1.387 141 I HN 0.150 nan 8.210 nan 0.000 0.475 142 Y N 6.454 126.758 120.300 0.005 0.000 2.352 142 Y HA 0.539 5.087 4.550 -0.003 0.000 0.339 142 Y C -0.291 175.630 175.900 0.034 0.000 0.992 142 Y CA -0.640 57.458 58.100 -0.002 0.000 1.100 142 Y CB 1.553 39.994 38.460 -0.031 0.000 1.192 142 Y HN 0.339 nan 8.280 nan 0.000 0.458 143 L N 4.259 125.604 121.223 0.203 0.000 2.337 143 L HA 0.330 4.668 4.340 -0.003 0.000 0.269 143 L C -0.820 176.176 176.870 0.209 0.000 1.018 143 L CA -0.542 54.385 54.840 0.146 0.000 0.876 143 L CB 0.898 42.968 42.059 0.018 0.000 1.236 143 L HN 0.529 nan 8.230 nan 0.000 0.436 144 D N 1.543 122.039 120.400 0.160 0.000 2.396 144 D HA 0.128 4.767 4.640 -0.003 0.000 0.225 144 D C 0.466 176.780 176.300 0.023 0.000 1.121 144 D CA -0.110 53.946 54.000 0.094 0.000 0.853 144 D CB 0.791 41.602 40.800 0.017 0.000 1.043 144 D HN 0.317 nan 8.370 nan 0.000 0.500 145 Y N 1.971 122.102 120.300 -0.282 0.000 2.544 145 Y HA 0.112 4.661 4.550 -0.003 0.000 0.286 145 Y C 2.110 177.646 175.900 -0.607 0.000 1.141 145 Y CA 0.258 58.022 58.100 -0.560 0.000 1.299 145 Y CB 0.428 38.151 38.460 -1.227 0.000 1.030 145 Y HN 0.667 nan 8.280 nan 0.000 0.543 146 G N 0.601 109.249 108.800 -0.253 0.000 2.273 146 G HA2 -0.319 3.639 3.960 -0.003 0.000 0.280 146 G HA3 -0.319 3.639 3.960 -0.003 0.000 0.280 146 G C -0.213 174.664 174.900 -0.038 0.000 1.047 146 G CA -0.251 44.775 45.100 -0.124 0.000 0.869 146 G HN 0.139 nan 8.290 nan 0.000 0.502 147 F N 0.078 120.033 119.950 0.009 0.000 2.496 147 F HA 0.259 4.784 4.527 -0.003 0.000 0.344 147 F C 1.696 177.513 175.800 0.028 0.000 1.155 147 F CA -0.803 57.189 58.000 -0.014 0.000 1.302 147 F CB 0.384 39.218 39.000 -0.277 0.000 1.159 147 F HN 0.000 nan 8.300 nan 0.000 0.595 148 N N 0.704 119.591 118.700 0.312 0.000 2.309 148 N HA -0.085 4.654 4.740 -0.003 0.000 0.182 148 N C -0.094 175.504 175.510 0.148 0.000 1.018 148 N CA 1.170 54.330 53.050 0.183 0.000 0.876 148 N CB -0.432 38.149 38.487 0.157 0.000 0.972 148 N HN 0.754 nan 8.380 nan 0.000 0.434 149 D N -3.379 117.137 120.400 0.194 0.000 2.752 149 D HA 0.290 4.928 4.640 -0.003 0.000 0.313 149 D C -0.130 176.229 176.300 0.099 0.000 1.225 149 D CA -0.652 53.423 54.000 0.124 0.000 0.976 149 D CB 0.459 41.319 40.800 0.099 0.000 1.443 149 D HN -0.206 nan 8.370 nan 0.000 0.515 150 T N -1.559 113.014 114.554 0.031 0.000 3.040 150 T HA 0.166 4.514 4.350 -0.003 0.000 0.250 150 T C 0.374 175.048 174.700 -0.042 0.000 1.058 150 T CA -0.047 62.025 62.100 -0.047 0.000 0.988 150 T CB -0.205 68.620 68.868 -0.072 0.000 0.993 150 T HN 0.478 nan 8.240 nan 0.000 0.519 151 T N 4.080 118.655 114.554 0.034 0.000 2.793 151 T HA 0.380 4.728 4.350 -0.003 0.000 0.289 151 T C 0.297 175.040 174.700 0.072 0.000 0.956 151 T CA -0.293 61.823 62.100 0.027 0.000 1.177 151 T CB 0.190 69.066 68.868 0.014 0.000 0.897 151 T HN 0.354 nan 8.240 nan 0.000 0.533 152 V N 0.723 120.660 119.914 0.039 0.000 3.160 152 V HA 0.982 5.100 4.120 -0.003 0.000 0.310 152 V C -0.125 176.037 176.094 0.114 0.000 1.181 152 V CA -1.145 61.218 62.300 0.106 0.000 1.047 152 V CB 2.148 34.034 31.823 0.104 0.000 1.068 152 V HN 0.900 nan 8.190 nan 0.000 0.441 153 T N -2.234 112.417 114.554 0.162 0.000 2.907 153 T HA 0.697 5.046 4.350 -0.003 0.000 0.290 153 T C -0.103 174.720 174.700 0.204 0.000 1.066 153 T CA 0.124 62.313 62.100 0.148 0.000 1.012 153 T CB 1.631 70.556 68.868 0.095 0.000 1.184 153 T HN 1.252 nan 8.240 nan 0.000 0.522 154 E N -1.054 119.250 120.200 0.175 0.000 2.476 154 E HA -0.236 4.112 4.350 -0.003 0.000 0.251 154 E C -1.078 175.650 176.600 0.213 0.000 1.130 154 E CA 0.285 56.783 56.400 0.163 0.000 0.736 154 E CB -1.833 27.932 29.700 0.108 0.000 1.298 154 E HN 0.641 nan 8.360 nan 0.000 0.400 155 Y N 1.163 121.563 120.300 0.167 0.000 2.377 155 Y HA 0.304 4.852 4.550 -0.003 0.000 0.330 155 Y C 0.365 176.378 175.900 0.188 0.000 1.108 155 Y CA 0.042 58.262 58.100 0.201 0.000 1.308 155 Y CB 0.669 39.216 38.460 0.145 0.000 1.216 155 Y HN 0.066 nan 8.280 nan 0.000 0.518 156 R N 6.170 126.475 120.500 -0.324 0.000 2.584 156 R HA 0.448 4.786 4.340 -0.003 0.000 0.276 156 R C -1.575 174.528 176.300 -0.328 0.000 1.046 156 R CA -1.010 55.042 56.100 -0.080 0.000 0.906 156 R CB 1.411 31.761 30.300 0.083 0.000 1.215 156 R HN 0.918 nan 8.270 nan 0.000 0.449 157 R N 1.293 121.806 120.500 0.021 0.000 2.670 157 R HA 0.567 4.905 4.340 -0.003 0.000 0.289 157 R C -1.551 174.804 176.300 0.092 0.000 0.965 157 R CA -0.809 55.306 56.100 0.025 0.000 0.899 157 R CB 1.944 32.338 30.300 0.157 0.000 1.173 157 R HN 0.679 nan 8.270 nan 0.000 0.456 158 D N 1.227 121.566 120.400 -0.101 0.000 2.583 158 D HA 0.378 5.017 4.640 -0.003 0.000 0.248 158 D C -1.551 174.577 176.300 -0.287 0.000 1.209 158 D CA -0.896 52.973 54.000 -0.218 0.000 0.848 158 D CB 1.612 41.992 40.800 -0.700 0.000 1.431 158 D HN 0.402 nan 8.370 nan 0.000 0.436 159 L N 1.435 122.481 121.223 -0.295 0.000 2.343 159 L HA 0.489 4.827 4.340 -0.003 0.000 0.278 159 L C -1.190 175.436 176.870 -0.408 0.000 0.996 159 L CA -0.535 54.120 54.840 -0.309 0.000 0.831 159 L CB 1.340 43.250 42.059 -0.248 0.000 1.232 159 L HN 0.573 nan 8.230 nan 0.000 0.413 160 N N 5.238 123.679 118.700 -0.432 0.000 2.439 160 N HA 0.172 4.910 4.740 -0.003 0.000 0.243 160 N C 0.837 176.220 175.510 -0.212 0.000 1.088 160 N CA -0.050 52.819 53.050 -0.302 0.000 0.940 160 N CB 0.628 38.960 38.487 -0.258 0.000 1.180 160 N HN 0.791 nan 8.380 nan 0.000 0.505 161 L N 1.554 122.644 121.223 -0.223 0.000 2.201 161 L HA -0.116 4.222 4.340 -0.003 0.000 0.212 161 L C 1.907 178.447 176.870 -0.551 0.000 1.105 161 L CA 0.727 55.344 54.840 -0.372 0.000 0.775 161 L CB -0.222 41.701 42.059 -0.228 0.000 0.913 161 L HN 0.417 nan 8.230 nan 0.000 0.440 162 S N -0.241 115.255 115.700 -0.339 0.000 2.387 162 S HA -0.086 4.382 4.470 -0.003 0.000 0.226 162 S C 1.786 176.381 174.600 -0.008 0.000 1.026 162 S CA 1.086 59.152 58.200 -0.223 0.000 0.972 162 S CB 0.032 63.292 63.200 0.101 0.000 0.814 162 S HN 0.391 nan 8.310 nan 0.000 0.477 163 K N 0.221 120.586 120.400 -0.058 0.000 2.358 163 K HA 0.253 4.572 4.320 -0.003 0.000 0.197 163 K C 0.742 177.155 176.600 -0.312 0.000 1.025 163 K CA 0.313 56.545 56.287 -0.093 0.000 1.104 163 K CB 0.620 33.089 32.500 -0.051 0.000 0.855 163 K HN 0.340 nan 8.250 nan 0.000 0.531 164 G N 3.368 111.860 108.800 -0.513 0.000 2.314 164 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.292 164 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.292 164 G C -0.441 174.485 174.900 0.043 0.000 1.059 164 G CA 0.911 45.681 45.100 -0.551 0.000 0.982 164 G HN 0.390 nan 8.290 nan 0.000 0.505 165 K N -1.589 118.804 120.400 -0.011 0.000 2.532 165 K HA 0.848 5.166 4.320 -0.003 0.000 0.265 165 K C -0.482 176.046 176.600 -0.119 0.000 0.948 165 K CA -0.600 55.675 56.287 -0.021 0.000 0.842 165 K CB 1.753 34.260 32.500 0.013 0.000 1.392 165 K HN 1.113 nan 8.250 nan 0.000 0.436 166 A N 2.042 124.770 122.820 -0.153 0.000 2.324 166 A HA 0.552 4.870 4.320 -0.003 0.000 0.330 166 A C -1.146 176.384 177.584 -0.090 0.000 1.165 166 A CA -0.662 51.304 52.037 -0.117 0.000 0.813 166 A CB 0.653 19.632 19.000 -0.035 0.000 1.197 166 A HN 0.786 nan 8.150 nan 0.000 0.484 167 D N 0.680 120.985 120.400 -0.159 0.000 2.575 167 D HA 0.573 5.211 4.640 -0.003 0.000 0.236 167 D C -1.143 175.078 176.300 -0.132 0.000 1.075 167 D CA -0.174 53.715 54.000 -0.186 0.000 0.860 167 D CB 2.236 42.855 40.800 -0.303 0.000 1.475 167 D HN 0.227 nan 8.370 nan 0.000 0.474 168 V N 0.450 120.288 119.914 -0.127 0.000 2.760 168 V HA 0.615 4.734 4.120 -0.003 0.000 0.309 168 V C -0.208 175.771 176.094 -0.193 0.000 1.077 168 V CA -0.512 61.714 62.300 -0.124 0.000 0.910 168 V CB 2.191 34.039 31.823 0.042 0.000 1.008 168 V HN 0.649 nan 8.190 nan 0.000 0.424 169 T N 4.365 118.764 114.554 -0.259 0.000 2.916 169 T HA 0.886 5.235 4.350 -0.003 0.000 0.305 169 T C -1.563 173.042 174.700 -0.158 0.000 1.119 169 T CA -0.353 61.597 62.100 -0.250 0.000 1.008 169 T CB 1.267 70.028 68.868 -0.179 0.000 1.129 169 T HN 0.959 nan 8.240 nan 0.000 0.480 170 F N 0.527 120.445 119.950 -0.055 0.000 2.741 170 F HA 0.692 5.217 4.527 -0.003 0.000 0.311 170 F C -1.430 174.447 175.800 0.128 0.000 1.149 170 F CA -1.311 56.721 58.000 0.053 0.000 0.930 170 F CB 1.344 40.449 39.000 0.176 0.000 1.312 170 F HN 0.565 nan 8.300 nan 0.000 0.450 171 K N 1.607 122.238 120.400 0.386 0.000 2.307 171 K HA 0.345 4.663 4.320 -0.003 0.000 0.263 171 K C -1.761 175.078 176.600 0.399 0.000 0.973 171 K CA -0.542 55.912 56.287 0.279 0.000 0.846 171 K CB 0.793 33.373 32.500 0.133 0.000 1.100 171 K HN 0.917 nan 8.250 nan 0.000 0.438 172 H N 3.790 123.038 119.070 0.297 0.000 2.689 172 H HA 0.099 4.653 4.556 -0.003 0.000 0.346 172 H C -0.940 174.427 175.328 0.065 0.000 1.037 172 H CA -0.160 55.956 56.048 0.113 0.000 1.234 172 H CB 1.361 31.061 29.762 -0.104 0.000 1.572 172 H HN 0.912 nan 8.280 nan 0.000 0.524 173 D N 3.701 123.833 120.400 -0.446 0.000 2.686 173 D HA -0.179 4.459 4.640 -0.003 0.000 0.235 173 D C 1.134 177.388 176.300 -0.078 0.000 1.160 173 D CA 2.156 55.981 54.000 -0.291 0.000 0.645 173 D CB -1.334 39.257 40.800 -0.348 0.000 1.039 173 D HN 1.157 nan 8.370 nan 0.000 0.423 174 G N -1.918 106.855 108.800 -0.044 0.000 2.162 174 G HA2 -0.237 3.722 3.960 -0.003 0.000 0.260 174 G HA3 -0.237 3.722 3.960 -0.003 0.000 0.260 174 G C 0.298 175.184 174.900 -0.023 0.000 0.976 174 G CA 0.359 45.447 45.100 -0.021 0.000 0.655 174 G HN 0.960 nan 8.290 nan 0.000 0.533 175 V N 0.805 120.712 119.914 -0.011 0.000 2.540 175 V HA 0.608 4.727 4.120 -0.003 0.000 0.302 175 V C 0.424 176.395 176.094 -0.204 0.000 1.035 175 V CA -0.386 61.832 62.300 -0.138 0.000 0.873 175 V CB 1.925 33.629 31.823 -0.198 0.000 0.992 175 V HN 0.238 nan 8.190 nan 0.000 0.428 176 T N 4.938 119.328 114.554 -0.273 0.000 2.780 176 T HA 0.509 4.858 4.350 -0.003 0.000 0.294 176 T C -0.782 173.622 174.700 -0.493 0.000 0.949 176 T CA 0.219 62.163 62.100 -0.261 0.000 1.074 176 T CB 0.020 68.789 68.868 -0.165 0.000 0.910 176 T HN 0.425 nan 8.240 nan 0.000 0.501 177 Y N 1.906 121.967 120.300 -0.398 0.000 2.360 177 Y HA 0.528 5.077 4.550 -0.003 0.000 0.337 177 Y C 1.063 176.638 175.900 -0.542 0.000 1.039 177 Y CA -0.902 56.913 58.100 -0.475 0.000 1.109 177 Y CB 1.674 39.713 38.460 -0.701 0.000 1.201 177 Y HN 0.646 nan 8.280 nan 0.000 0.458 178 T N 1.244 115.683 114.554 -0.191 0.000 2.907 178 T HA 0.809 5.158 4.350 -0.003 0.000 0.292 178 T C -0.760 173.830 174.700 -0.183 0.000 1.043 178 T CA -1.177 60.799 62.100 -0.206 0.000 1.003 178 T CB 1.807 70.572 68.868 -0.171 0.000 1.084 178 T HN 0.666 nan 8.240 nan 0.000 0.483 179 R N 1.054 121.417 120.500 -0.228 0.000 2.673 179 R HA 0.621 4.959 4.340 -0.003 0.000 0.281 179 R C -1.167 174.862 176.300 -0.452 0.000 0.991 179 R CA -0.866 55.014 56.100 -0.366 0.000 0.896 179 R CB 2.525 32.627 30.300 -0.330 0.000 1.201 179 R HN 0.855 nan 8.270 nan 0.000 0.457 180 E N 2.646 122.482 120.200 -0.607 0.000 2.275 180 E HA 0.359 4.707 4.350 -0.003 0.000 0.270 180 E C -1.644 174.582 176.600 -0.624 0.000 0.882 180 E CA -0.634 55.506 56.400 -0.434 0.000 0.758 180 E CB 1.491 31.108 29.700 -0.139 0.000 1.195 180 E HN 0.481 nan 8.360 nan 0.000 0.419 181 Y N 3.502 123.654 120.300 -0.246 0.000 2.406 181 Y HA 0.537 5.086 4.550 -0.003 0.000 0.340 181 Y C -0.488 175.017 175.900 -0.657 0.000 0.975 181 Y CA -0.877 56.917 58.100 -0.511 0.000 1.056 181 Y CB 1.385 39.445 38.460 -0.667 0.000 1.210 181 Y HN 0.445 nan 8.280 nan 0.000 0.448 182 F N -0.281 119.398 119.950 -0.450 0.000 2.686 182 F HA 0.971 5.497 4.527 -0.003 0.000 0.311 182 F C -1.488 174.315 175.800 0.005 0.000 1.128 182 F CA -1.894 55.863 58.000 -0.406 0.000 0.946 182 F CB 1.317 40.039 39.000 -0.463 0.000 1.336 182 F HN 0.507 nan 8.300 nan 0.000 0.457 183 A N 1.705 124.765 122.820 0.401 0.000 2.340 183 A HA 0.626 4.944 4.320 -0.003 0.000 0.297 183 A C -0.656 177.095 177.584 0.278 0.000 1.195 183 A CA -0.564 51.680 52.037 0.345 0.000 0.769 183 A CB 0.764 20.003 19.000 0.398 0.000 1.163 183 A HN 0.994 nan 8.150 nan 0.000 0.472 184 S N 1.770 117.641 115.700 0.285 0.000 2.523 184 S HA 0.090 4.558 4.470 -0.003 0.000 0.275 184 S C 1.149 175.934 174.600 0.309 0.000 1.281 184 S CA -0.408 58.024 58.200 0.387 0.000 1.050 184 S CB 0.326 63.762 63.200 0.393 0.000 0.937 184 S HN 0.786 nan 8.310 nan 0.000 0.492 185 N N 4.915 123.807 118.700 0.320 0.000 2.148 185 N HA 0.026 4.764 4.740 -0.003 0.000 0.186 185 N C -1.124 174.490 175.510 0.173 0.000 1.031 185 N CA 1.068 54.245 53.050 0.212 0.000 0.848 185 N CB -1.004 37.593 38.487 0.185 0.000 1.005 185 N HN 0.470 nan 8.380 nan 0.000 0.427 186 P HA -0.073 nan 4.420 nan 0.000 0.216 186 P C 0.261 177.638 177.300 0.130 0.000 1.153 186 P CA 1.409 64.590 63.100 0.135 0.000 0.858 186 P CB -0.016 31.763 31.700 0.131 0.000 0.789 187 D N -2.829 117.667 120.400 0.160 0.000 2.395 187 D HA 0.037 4.675 4.640 -0.003 0.000 0.213 187 D C 0.132 176.515 176.300 0.138 0.000 1.110 187 D CA -0.001 54.083 54.000 0.140 0.000 0.835 187 D CB -0.598 40.296 40.800 0.157 0.000 0.965 187 D HN -0.021 nan 8.370 nan 0.000 0.505 188 N N 0.852 119.641 118.700 0.149 0.000 2.725 188 N HA -0.197 4.541 4.740 -0.003 0.000 0.251 188 N C -1.326 174.267 175.510 0.138 0.000 1.031 188 N CA 0.299 53.429 53.050 0.133 0.000 0.720 188 N CB -1.046 37.505 38.487 0.107 0.000 0.930 188 N HN 0.121 nan 8.380 nan 0.000 0.543 189 V N 0.665 120.680 119.914 0.167 0.000 2.969 189 V HA 0.547 4.665 4.120 -0.003 0.000 0.304 189 V C -0.504 175.689 176.094 0.164 0.000 1.192 189 V CA -0.912 61.491 62.300 0.173 0.000 0.962 189 V CB 2.009 33.952 31.823 0.200 0.000 1.045 189 V HN 0.303 nan 8.190 nan 0.000 0.428 190 M N 5.876 125.569 119.600 0.155 0.000 2.233 190 M HA 0.720 5.198 4.480 -0.003 0.000 0.355 190 M C -1.677 174.595 176.300 -0.047 0.000 1.191 190 M CA -0.244 55.129 55.300 0.123 0.000 1.101 190 M CB 1.444 34.205 32.600 0.268 0.000 1.592 190 M HN 0.524 nan 8.290 nan 0.000 0.461 191 V N 4.166 123.864 119.914 -0.360 0.000 2.540 191 V HA 0.789 4.907 4.120 -0.003 0.000 0.302 191 V C -0.566 175.244 176.094 -0.474 0.000 1.035 191 V CA -0.807 61.143 62.300 -0.584 0.000 0.873 191 V CB 1.584 32.766 31.823 -1.068 0.000 0.992 191 V HN 0.933 nan 8.190 nan 0.000 0.428 192 A N 4.294 126.911 122.820 -0.339 0.000 2.311 192 A HA 0.840 5.159 4.320 -0.003 0.000 0.306 192 A C -0.512 176.844 177.584 -0.380 0.000 1.189 192 A CA -0.699 51.149 52.037 -0.315 0.000 0.791 192 A CB 0.960 19.904 19.000 -0.094 0.000 1.172 192 A HN 0.747 nan 8.150 nan 0.000 0.481 193 R N 2.693 122.943 120.500 -0.417 0.000 2.229 193 R HA 0.672 5.011 4.340 -0.003 0.000 0.332 193 R C -1.561 174.525 176.300 -0.355 0.000 0.989 193 R CA -0.204 55.645 56.100 -0.418 0.000 0.842 193 R CB 0.118 30.138 30.300 -0.466 0.000 1.119 193 R HN 0.619 nan 8.270 nan 0.000 0.456 194 L N 4.033 125.095 121.223 -0.269 0.000 2.356 194 L HA 0.621 4.959 4.340 -0.003 0.000 0.277 194 L C -0.177 176.646 176.870 -0.078 0.000 0.996 194 L CA -0.853 53.882 54.840 -0.174 0.000 0.822 194 L CB 2.159 44.099 42.059 -0.197 0.000 1.256 194 L HN 0.821 nan 8.230 nan 0.000 0.413 195 T N -0.072 114.458 114.554 -0.039 0.000 2.906 195 T HA 0.897 5.245 4.350 -0.003 0.000 0.295 195 T C -0.742 173.967 174.700 0.015 0.000 1.075 195 T CA -0.695 61.391 62.100 -0.024 0.000 1.005 195 T CB 2.348 71.165 68.868 -0.085 0.000 1.136 195 T HN 0.706 nan 8.240 nan 0.000 0.498 196 A N 0.918 123.715 122.820 -0.038 0.000 2.380 196 A HA 0.719 5.037 4.320 -0.003 0.000 0.315 196 A C 1.048 178.511 177.584 -0.202 0.000 1.101 196 A CA -0.296 51.602 52.037 -0.231 0.000 0.771 196 A CB 1.483 20.395 19.000 -0.147 0.000 1.287 196 A HN 1.430 nan 8.150 nan 0.000 0.436 197 S N 0.398 115.933 115.700 -0.274 0.000 2.522 197 S HA 0.108 4.576 4.470 -0.003 0.000 0.227 197 S C 0.495 175.026 174.600 -0.114 0.000 0.986 197 S CA 0.638 58.737 58.200 -0.168 0.000 0.929 197 S CB -0.271 62.828 63.200 -0.169 0.000 0.769 197 S HN 0.581 nan 8.310 nan 0.000 0.529 198 K N 1.174 121.506 120.400 -0.114 0.000 2.378 198 K HA 0.668 4.987 4.320 -0.003 0.000 0.252 198 K C -0.737 175.847 176.600 -0.028 0.000 0.931 198 K CA -0.625 55.627 56.287 -0.057 0.000 0.794 198 K CB 2.025 34.498 32.500 -0.045 0.000 1.181 198 K HN 0.201 nan 8.250 nan 0.000 0.425 199 A N 1.170 123.983 122.820 -0.013 0.000 2.567 199 A HA 0.368 4.686 4.320 -0.003 0.000 0.240 199 A C 1.244 178.839 177.584 0.019 0.000 1.053 199 A CA 1.304 53.342 52.037 0.002 0.000 0.755 199 A CB -0.721 18.280 19.000 0.001 0.000 0.978 199 A HN 1.006 nan 8.150 nan 0.000 0.507 200 G N 1.749 110.567 108.800 0.029 0.000 2.199 200 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.254 200 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.254 200 G C 0.885 175.836 174.900 0.085 0.000 0.982 200 G CA 0.613 45.740 45.100 0.044 0.000 0.632 200 G HN 0.677 nan 8.290 nan 0.000 0.529 201 K N -0.579 119.884 120.400 0.106 0.000 2.404 201 K HA 0.297 4.615 4.320 -0.003 0.000 0.194 201 K C 0.781 177.594 176.600 0.354 0.000 1.023 201 K CA -0.099 56.310 56.287 0.204 0.000 1.094 201 K CB 0.256 32.840 32.500 0.140 0.000 0.841 201 K HN 0.451 nan 8.250 nan 0.000 0.523 202 L N 2.734 124.112 121.223 0.258 0.000 2.268 202 L HA 0.205 4.544 4.340 -0.003 0.000 0.289 202 L C -1.013 175.957 176.870 0.167 0.000 1.064 202 L CA 0.194 55.228 54.840 0.322 0.000 0.824 202 L CB 0.160 42.371 42.059 0.254 0.000 1.202 202 L HN 0.014 nan 8.230 nan 0.000 0.433 203 N N 6.589 125.377 118.700 0.147 0.000 2.430 203 N HA 0.568 5.306 4.740 -0.003 0.000 0.290 203 N C -1.423 173.995 175.510 -0.153 0.000 1.063 203 N CA -0.189 52.833 53.050 -0.046 0.000 0.883 203 N CB 2.014 40.514 38.487 0.021 0.000 1.465 203 N HN 0.475 nan 8.380 nan 0.000 0.493 204 F N -0.520 119.221 119.950 -0.347 0.000 2.719 204 F HA 0.458 4.983 4.527 -0.003 0.000 0.309 204 F C -1.523 174.130 175.800 -0.246 0.000 1.138 204 F CA -1.129 56.607 58.000 -0.440 0.000 0.943 204 F CB 1.379 39.866 39.000 -0.854 0.000 1.304 204 F HN 0.108 nan 8.300 nan 0.000 0.445 205 N N 1.648 120.350 118.700 0.004 0.000 2.400 205 N HA 0.492 5.230 4.740 -0.003 0.000 0.288 205 N C -1.919 173.697 175.510 0.176 0.000 1.024 205 N CA -0.299 52.749 53.050 -0.003 0.000 0.894 205 N CB 2.243 40.714 38.487 -0.026 0.000 1.173 205 N HN 0.795 nan 8.380 nan 0.000 0.487 206 V N 3.220 123.224 119.914 0.151 0.000 2.398 206 V HA 0.631 4.749 4.120 -0.003 0.000 0.286 206 V C -0.404 175.751 176.094 0.102 0.000 1.026 206 V CA -0.180 62.232 62.300 0.187 0.000 0.868 206 V CB 1.169 33.140 31.823 0.247 0.000 0.982 206 V HN 0.850 nan 8.190 nan 0.000 0.443 207 S N 5.902 121.671 115.700 0.116 0.000 2.627 207 S HA 0.727 5.196 4.470 -0.003 0.000 0.283 207 S C -0.599 174.062 174.600 0.102 0.000 1.127 207 S CA -0.824 57.432 58.200 0.094 0.000 0.863 207 S CB 1.998 65.249 63.200 0.086 0.000 1.121 207 S HN 0.896 nan 8.310 nan 0.000 0.479 208 M N 2.062 121.709 119.600 0.079 0.000 2.850 208 M HA 0.323 4.802 4.480 -0.003 0.000 0.288 208 M C -2.849 173.514 176.300 0.104 0.000 1.450 208 M CA -1.651 53.683 55.300 0.056 0.000 0.555 208 M CB 1.312 33.896 32.600 -0.028 0.000 1.507 208 M HN 0.508 nan 8.290 nan 0.000 0.415 209 P HA 0.152 nan 4.420 nan 0.000 0.271 209 P C -0.346 177.018 177.300 0.107 0.000 1.220 209 P CA 0.194 63.356 63.100 0.103 0.000 0.768 209 P CB 0.536 32.297 31.700 0.102 0.000 0.848 210 T N 0.341 114.930 114.554 0.058 0.000 2.860 210 T HA 0.066 4.414 4.350 -0.003 0.000 0.299 210 T C 0.685 175.289 174.700 -0.160 0.000 1.045 210 T CA -0.808 61.278 62.100 -0.022 0.000 1.071 210 T CB 0.159 68.927 68.868 -0.167 0.000 0.985 210 T HN 0.391 nan 8.240 nan 0.000 0.537 211 N N 1.293 119.874 118.700 -0.198 0.000 2.412 211 N HA -0.066 4.673 4.740 -0.003 0.000 0.258 211 N C 1.335 176.544 175.510 -0.502 0.000 1.236 211 N CA 0.542 53.438 53.050 -0.256 0.000 0.882 211 N CB 0.978 39.400 38.487 -0.108 0.000 1.066 211 N HN 0.886 nan 8.380 nan 0.000 0.465 212 T N 0.386 114.758 114.554 -0.303 0.000 3.148 212 T HA 0.089 4.437 4.350 -0.003 0.000 0.253 212 T C 0.712 175.248 174.700 -0.273 0.000 1.134 212 T CA 0.483 62.414 62.100 -0.282 0.000 1.051 212 T CB -0.314 68.454 68.868 -0.166 0.000 0.959 212 T HN 0.556 nan 8.240 nan 0.000 0.525 213 N N 0.084 118.612 118.700 -0.287 0.000 2.250 213 N HA 0.204 4.942 4.740 -0.003 0.000 0.190 213 N C -0.383 175.063 175.510 -0.107 0.000 1.116 213 N CA -0.522 52.426 53.050 -0.169 0.000 0.881 213 N CB 0.271 38.685 38.487 -0.122 0.000 1.006 213 N HN 0.683 nan 8.380 nan 0.000 0.491 214 Y N 0.610 120.820 120.300 -0.149 0.000 2.352 214 Y HA 0.608 5.157 4.550 -0.003 0.000 0.326 214 Y C 0.464 176.296 175.900 -0.115 0.000 1.166 214 Y CA -2.189 55.822 58.100 -0.150 0.000 1.182 214 Y CB 0.457 38.794 38.460 -0.205 0.000 1.216 214 Y HN -0.156 nan 8.280 nan 0.000 0.474 215 S N 2.249 118.018 115.700 0.114 0.000 2.585 215 S HA 0.545 5.013 4.470 -0.003 0.000 0.273 215 S C -0.794 173.886 174.600 0.133 0.000 1.339 215 S CA -0.825 57.412 58.200 0.061 0.000 1.028 215 S CB 0.705 63.926 63.200 0.034 0.000 0.906 215 S HN 0.760 nan 8.310 nan 0.000 0.528 216 K N 0.747 121.197 120.400 0.082 0.000 2.477 216 K HA 0.576 4.895 4.320 -0.003 0.000 0.255 216 K C -1.287 175.358 176.600 0.075 0.000 0.952 216 K CA -0.742 55.624 56.287 0.133 0.000 0.826 216 K CB 2.404 34.979 32.500 0.124 0.000 1.331 216 K HN 0.634 nan 8.250 nan 0.000 0.437 217 T N 0.478 115.076 114.554 0.073 0.000 2.809 217 T HA 0.403 4.751 4.350 -0.003 0.000 0.284 217 T C 0.474 175.172 174.700 -0.004 0.000 0.992 217 T CA -0.160 61.954 62.100 0.024 0.000 0.957 217 T CB 1.448 70.325 68.868 0.015 0.000 0.942 217 T HN 0.867 nan 8.240 nan 0.000 0.439 218 G N 2.812 111.605 108.800 -0.010 0.000 2.283 218 G HA2 -0.248 3.710 3.960 -0.003 0.000 0.280 218 G HA3 -0.248 3.710 3.960 -0.003 0.000 0.280 218 G C 0.009 174.884 174.900 -0.042 0.000 1.029 218 G CA 0.394 45.478 45.100 -0.027 0.000 0.840 218 G HN 0.839 nan 8.290 nan 0.000 0.505 219 E N 0.732 120.922 120.200 -0.017 0.000 2.384 219 E HA 0.437 4.785 4.350 -0.003 0.000 0.266 219 E C 0.799 177.396 176.600 -0.004 0.000 1.012 219 E CA 0.524 56.919 56.400 -0.009 0.000 0.901 219 E CB 0.349 30.099 29.700 0.082 0.000 0.967 219 E HN 0.464 nan 8.360 nan 0.000 0.435 220 T N 0.720 115.270 114.554 -0.006 0.000 2.893 220 T HA 0.472 4.821 4.350 -0.003 0.000 0.291 220 T C -0.490 174.227 174.700 0.028 0.000 1.028 220 T CA -0.908 61.196 62.100 0.006 0.000 0.995 220 T CB 1.862 70.728 68.868 -0.005 0.000 1.051 220 T HN 0.236 nan 8.240 nan 0.000 0.470 221 T N 2.786 117.356 114.554 0.028 0.000 2.815 221 T HA 0.720 5.069 4.350 -0.003 0.000 0.289 221 T C -0.265 174.448 174.700 0.022 0.000 1.000 221 T CA -0.676 61.445 62.100 0.036 0.000 0.958 221 T CB 1.178 70.070 68.868 0.039 0.000 0.944 221 T HN 1.065 nan 8.240 nan 0.000 0.442 222 T N -0.330 114.238 114.554 0.023 0.000 2.896 222 T HA 0.780 5.128 4.350 -0.003 0.000 0.297 222 T C -0.814 173.895 174.700 0.015 0.000 1.108 222 T CA -0.788 61.321 62.100 0.014 0.000 1.004 222 T CB 1.476 70.350 68.868 0.011 0.000 1.159 222 T HN 0.270 nan 8.240 nan 0.000 0.499 223 V N 1.651 121.570 119.914 0.008 0.000 2.495 223 V HA 0.694 4.812 4.120 -0.003 0.000 0.298 223 V C -0.273 175.823 176.094 0.004 0.000 1.031 223 V CA -0.742 61.562 62.300 0.006 0.000 0.871 223 V CB 1.690 33.512 31.823 -0.002 0.000 0.988 223 V HN 1.001 nan 8.190 nan 0.000 0.432 224 K N 3.097 123.501 120.400 0.007 0.000 2.578 224 K HA 0.588 4.907 4.320 -0.003 0.000 0.250 224 K C 0.692 177.296 176.600 0.006 0.000 0.955 224 K CA 0.389 56.680 56.287 0.006 0.000 0.825 224 K CB 1.566 34.071 32.500 0.009 0.000 1.151 224 K HN 0.957 nan 8.250 nan 0.000 0.432 225 G N 3.999 112.800 108.800 0.002 0.000 2.660 225 G HA2 -0.409 3.549 3.960 -0.003 0.000 0.321 225 G HA3 -0.409 3.549 3.960 -0.003 0.000 0.321 225 G C 0.326 175.227 174.900 0.002 0.000 1.246 225 G CA 0.868 45.969 45.100 0.001 0.000 1.000 225 G HN 0.867 nan 8.290 nan 0.000 0.550 226 D N 0.587 120.993 120.400 0.010 0.000 2.328 226 D HA 0.279 4.918 4.640 -0.003 0.000 0.226 226 D C 0.825 177.140 176.300 0.025 0.000 1.066 226 D CA 1.171 55.180 54.000 0.015 0.000 0.861 226 D CB -0.107 40.708 40.800 0.026 0.000 0.912 226 D HN 0.465 nan 8.370 nan 0.000 0.521 227 T N 0.762 115.329 114.554 0.023 0.000 2.848 227 T HA 0.431 4.780 4.350 -0.003 0.000 0.285 227 T C -0.863 173.851 174.700 0.024 0.000 0.995 227 T CA -0.779 61.339 62.100 0.030 0.000 0.970 227 T CB 1.960 70.849 68.868 0.034 0.000 0.976 227 T HN 0.055 nan 8.240 nan 0.000 0.441 228 L N 3.441 124.680 121.223 0.027 0.000 2.282 228 L HA 0.692 5.031 4.340 -0.003 0.000 0.288 228 L C -0.423 176.468 176.870 0.035 0.000 1.033 228 L CA 0.286 55.142 54.840 0.026 0.000 0.807 228 L CB 1.246 43.319 42.059 0.024 0.000 1.209 228 L HN 0.612 nan 8.230 nan 0.000 0.423 229 T N 4.623 119.202 114.554 0.042 0.000 2.812 229 T HA 0.595 4.944 4.350 -0.003 0.000 0.282 229 T C -0.867 173.881 174.700 0.079 0.000 0.990 229 T CA -0.408 61.728 62.100 0.060 0.000 0.960 229 T CB 1.488 70.387 68.868 0.051 0.000 0.948 229 T HN 0.339 nan 8.240 nan 0.000 0.438 230 V N 5.123 125.114 119.914 0.128 0.000 2.417 230 V HA 0.671 4.789 4.120 -0.003 0.000 0.291 230 V C -0.172 176.047 176.094 0.209 0.000 1.024 230 V CA -0.829 61.577 62.300 0.175 0.000 0.861 230 V CB 1.254 33.225 31.823 0.246 0.000 0.985 230 V HN 0.915 nan 8.190 nan 0.000 0.436 231 K N 3.202 123.652 120.400 0.084 0.000 2.532 231 K HA 0.939 5.257 4.320 -0.003 0.000 0.265 231 K C -0.394 175.993 176.600 -0.356 0.000 0.948 231 K CA -0.676 55.549 56.287 -0.102 0.000 0.842 231 K CB 2.832 35.301 32.500 -0.051 0.000 1.392 231 K HN 0.883 nan 8.250 nan 0.000 0.436 232 G N 0.024 108.285 108.800 -0.897 0.000 2.428 232 G HA2 0.611 4.569 3.960 -0.003 0.000 0.305 232 G HA3 0.611 4.569 3.960 -0.003 0.000 0.305 232 G C -1.914 172.462 174.900 -0.874 0.000 1.260 232 G CA -0.428 44.210 45.100 -0.770 0.000 0.853 232 G HN 0.814 nan 8.290 nan 0.000 0.480 233 A N -0.653 121.955 122.820 -0.353 0.000 2.435 233 A HA 0.788 5.106 4.320 -0.003 0.000 0.304 233 A C -0.340 177.372 177.584 0.213 0.000 1.064 233 A CA -0.612 51.386 52.037 -0.063 0.000 0.727 233 A CB 1.167 20.145 19.000 -0.037 0.000 1.284 233 A HN 0.879 nan 8.150 nan 0.000 0.415 234 L N 2.101 123.471 121.223 0.243 0.000 2.455 234 L HA 0.178 4.517 4.340 -0.003 0.000 0.272 234 L C 1.777 178.699 176.870 0.086 0.000 1.174 234 L CA 0.250 55.179 54.840 0.149 0.000 0.869 234 L CB 0.670 42.730 42.059 0.001 0.000 1.130 234 L HN 1.041 nan 8.230 nan 0.000 0.474 235 G N 2.323 111.176 108.800 0.089 0.000 2.432 235 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.219 235 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.219 235 G C 1.351 176.263 174.900 0.018 0.000 1.135 235 G CA 0.563 45.693 45.100 0.049 0.000 0.767 235 G HN 0.839 nan 8.290 nan 0.000 0.550 236 N N 1.954 120.657 118.700 0.004 0.000 2.188 236 N HA -0.125 4.614 4.740 -0.003 0.000 0.184 236 N C 1.356 176.843 175.510 -0.038 0.000 1.018 236 N CA 1.842 54.881 53.050 -0.019 0.000 0.858 236 N CB -0.110 38.356 38.487 -0.036 0.000 0.989 236 N HN 0.455 nan 8.380 nan 0.000 0.426 237 N N -2.305 116.368 118.700 -0.044 0.000 2.036 237 N HA 0.142 4.880 4.740 -0.003 0.000 0.228 237 N C 0.856 176.338 175.510 -0.047 0.000 1.368 237 N CA 0.646 53.648 53.050 -0.080 0.000 0.846 237 N CB -0.091 38.296 38.487 -0.167 0.000 1.145 237 N HN 0.175 nan 8.380 nan 0.000 0.502 238 G N 0.712 109.507 108.800 -0.008 0.000 2.162 238 G HA2 -0.299 3.660 3.960 -0.003 0.000 0.260 238 G HA3 -0.299 3.660 3.960 -0.003 0.000 0.260 238 G C -0.173 174.746 174.900 0.033 0.000 0.976 238 G CA 0.355 45.459 45.100 0.008 0.000 0.655 238 G HN 0.487 nan 8.290 nan 0.000 0.533 239 L N 1.200 122.458 121.223 0.059 0.000 2.559 239 L HA 0.432 4.771 4.340 -0.003 0.000 0.274 239 L C 0.868 177.815 176.870 0.129 0.000 1.205 239 L CA 0.219 55.130 54.840 0.120 0.000 0.907 239 L CB 0.321 42.481 42.059 0.170 0.000 1.153 239 L HN 0.217 nan 8.230 nan 0.000 0.490 240 L N 6.857 128.146 121.223 0.111 0.000 2.349 240 L HA 0.318 4.656 4.340 -0.003 0.000 0.275 240 L C -0.648 176.309 176.870 0.146 0.000 1.115 240 L CA -0.460 54.411 54.840 0.051 0.000 0.820 240 L CB 0.397 42.477 42.059 0.035 0.000 1.135 240 L HN 0.664 nan 8.230 nan 0.000 0.445 241 Y N 1.185 121.507 120.300 0.036 0.000 2.524 241 Y HA 0.664 5.212 4.550 -0.003 0.000 0.347 241 Y C -0.868 175.148 175.900 0.193 0.000 1.005 241 Y CA -1.267 56.874 58.100 0.069 0.000 1.025 241 Y CB 1.528 39.791 38.460 -0.328 0.000 1.275 241 Y HN 0.497 nan 8.280 nan 0.000 0.460 242 N N 1.622 120.674 118.700 0.587 0.000 2.455 242 N HA 0.388 5.127 4.740 -0.003 0.000 0.285 242 N C -1.993 173.835 175.510 0.529 0.000 1.080 242 N CA -0.204 53.105 53.050 0.431 0.000 0.932 242 N CB 2.351 40.971 38.487 0.223 0.000 1.610 242 N HN 0.988 nan 8.380 nan 0.000 0.493 243 S N 2.250 118.216 115.700 0.444 0.000 2.542 243 S HA 0.664 5.132 4.470 -0.003 0.000 0.293 243 S C -0.862 173.784 174.600 0.078 0.000 1.089 243 S CA -0.663 57.632 58.200 0.158 0.000 0.961 243 S CB 2.528 65.710 63.200 -0.031 0.000 1.062 243 S HN 0.553 nan 8.310 nan 0.000 0.483 244 Q N 1.231 121.033 119.800 0.004 0.000 2.331 244 Q HA 0.571 4.909 4.340 -0.003 0.000 0.272 244 Q C -1.362 174.634 176.000 -0.007 0.000 1.062 244 Q CA -0.543 55.271 55.803 0.018 0.000 0.806 244 Q CB 2.534 31.300 28.738 0.046 0.000 1.312 244 Q HN 0.741 nan 8.270 nan 0.000 0.431 245 I N 2.015 122.589 120.570 0.007 0.000 2.382 245 I HA 0.364 4.533 4.170 -0.003 0.000 0.286 245 I C -0.529 175.622 176.117 0.057 0.000 1.002 245 I CA -0.638 60.676 61.300 0.023 0.000 1.135 245 I CB 1.562 39.565 38.000 0.005 0.000 1.288 245 I HN 0.315 nan 8.210 nan 0.000 0.448 246 K N 6.481 126.941 120.400 0.100 0.000 2.263 246 K HA 0.518 4.836 4.320 -0.003 0.000 0.272 246 K C -1.207 175.475 176.600 0.137 0.000 1.033 246 K CA -0.491 55.868 56.287 0.120 0.000 0.884 246 K CB 1.453 34.044 32.500 0.152 0.000 1.107 246 K HN 0.398 nan 8.250 nan 0.000 0.460 247 V N 5.335 125.302 119.914 0.089 0.000 2.348 247 V HA 0.194 4.312 4.120 -0.003 0.000 0.270 247 V C -0.360 175.779 176.094 0.075 0.000 1.037 247 V CA -0.808 61.534 62.300 0.071 0.000 0.872 247 V CB 1.278 33.122 31.823 0.034 0.000 1.002 247 V HN 0.481 nan 8.190 nan 0.000 0.464 248 V N 7.027 126.997 119.914 0.093 0.000 2.311 248 V HA 0.374 4.493 4.120 -0.003 0.000 0.275 248 V C 0.161 176.287 176.094 0.052 0.000 1.022 248 V CA -0.490 61.872 62.300 0.104 0.000 0.830 248 V CB 1.264 33.216 31.823 0.215 0.000 1.012 248 V HN 0.647 nan 8.190 nan 0.000 0.452 249 L N 3.702 124.944 121.223 0.032 0.000 2.426 249 L HA 0.279 4.617 4.340 -0.003 0.000 0.271 249 L C 0.650 177.533 176.870 0.021 0.000 1.169 249 L CA -0.216 54.632 54.840 0.013 0.000 0.836 249 L CB 0.324 42.383 42.059 -0.001 0.000 1.112 249 L HN 0.544 nan 8.230 nan 0.000 0.465 255 T N 0.407 114.928 114.554 -0.055 0.000 2.824 255 T HA 0.607 4.956 4.350 -0.003 0.000 0.282 255 T C -1.105 173.538 174.700 -0.094 0.000 0.993 255 T CA -0.388 61.675 62.100 -0.062 0.000 0.967 255 T CB 1.711 70.546 68.868 -0.055 0.000 0.960 255 T HN 0.621 nan 8.240 nan 0.000 0.441 256 L N 3.778 124.952 121.223 -0.080 0.000 2.356 256 L HA 0.796 5.135 4.340 -0.003 0.000 0.277 256 L C -0.327 176.497 176.870 -0.077 0.000 0.996 256 L CA -0.042 54.741 54.840 -0.096 0.000 0.822 256 L CB 1.489 43.504 42.059 -0.074 0.000 1.256 256 L HN 0.816 nan 8.230 nan 0.000 0.413 257 S N 2.099 117.745 115.700 -0.090 0.000 2.618 257 S HA 0.564 5.033 4.470 -0.003 0.000 0.277 257 S C -0.730 173.830 174.600 -0.066 0.000 1.138 257 S CA -0.903 57.256 58.200 -0.067 0.000 0.844 257 S CB 1.424 64.586 63.200 -0.064 0.000 1.127 257 S HN 0.691 nan 8.310 nan 0.000 0.474 258 E N 0.646 120.818 120.200 -0.047 0.000 2.344 258 E HA 0.413 4.762 4.350 -0.003 0.000 0.270 258 E C 0.722 177.295 176.600 -0.045 0.000 1.021 258 E CA -0.366 56.010 56.400 -0.040 0.000 0.887 258 E CB 0.271 29.955 29.700 -0.027 0.000 0.997 258 E HN 0.859 nan 8.360 nan 0.000 0.429 259 G N 2.290 111.062 108.800 -0.045 0.000 2.484 259 G HA2 -0.085 3.873 3.960 -0.003 0.000 0.235 259 G HA3 -0.085 3.873 3.960 -0.003 0.000 0.235 259 G C 1.015 175.893 174.900 -0.036 0.000 1.282 259 G CA 0.182 45.255 45.100 -0.046 0.000 0.857 259 G HN 0.665 nan 8.290 nan 0.000 0.571 260 S N 0.361 116.039 115.700 -0.037 0.000 2.442 260 S HA -0.178 4.290 4.470 -0.003 0.000 0.236 260 S C 1.557 176.140 174.600 -0.028 0.000 1.007 260 S CA 1.551 59.732 58.200 -0.031 0.000 0.965 260 S CB -0.129 63.052 63.200 -0.032 0.000 0.773 260 S HN 0.720 nan 8.310 nan 0.000 0.504 261 D N 0.762 121.144 120.400 -0.029 0.000 2.349 261 D HA 0.198 4.836 4.640 -0.003 0.000 0.224 261 D C 1.446 177.733 176.300 -0.021 0.000 1.029 261 D CA 0.577 54.560 54.000 -0.027 0.000 0.879 261 D CB -1.050 39.731 40.800 -0.031 0.000 0.906 261 D HN 0.560 nan 8.370 nan 0.000 0.528 262 G N -0.204 108.585 108.800 -0.020 0.000 2.187 262 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.261 262 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.261 262 G C 0.701 175.596 174.900 -0.009 0.000 1.000 262 G CA 0.428 45.519 45.100 -0.014 0.000 0.718 262 G HN 1.060 nan 8.290 nan 0.000 0.519 263 A N -0.947 121.868 122.820 -0.009 0.000 2.592 263 A HA 0.760 5.078 4.320 -0.003 0.000 0.290 263 A C 0.573 178.160 177.584 0.005 0.000 0.998 263 A CA 1.275 53.312 52.037 0.001 0.000 0.983 263 A CB 0.245 19.245 19.000 -0.000 0.000 1.240 263 A HN 2.011 nan 8.150 nan 0.000 0.535 264 S N -1.099 114.599 115.700 -0.003 0.000 2.611 264 S HA 0.781 5.250 4.470 -0.003 0.000 0.268 264 S C -1.289 173.300 174.600 -0.017 0.000 1.156 264 S CA -0.689 57.511 58.200 -0.001 0.000 0.817 264 S CB 0.990 64.187 63.200 -0.006 0.000 1.122 264 S HN 0.278 nan 8.310 nan 0.000 0.466 265 L N 1.070 122.280 121.223 -0.023 0.000 2.346 265 L HA 0.647 4.985 4.340 -0.003 0.000 0.274 265 L C -0.338 176.460 176.870 -0.121 0.000 1.007 265 L CA -0.626 54.179 54.840 -0.059 0.000 0.818 265 L CB 2.026 44.058 42.059 -0.045 0.000 1.284 265 L HN 0.790 nan 8.230 nan 0.000 0.424 266 K N 2.347 122.651 120.400 -0.161 0.000 2.307 266 K HA 0.549 4.867 4.320 -0.003 0.000 0.263 266 K C -1.453 174.949 176.600 -0.330 0.000 0.973 266 K CA -0.550 55.594 56.287 -0.239 0.000 0.846 266 K CB 1.712 34.116 32.500 -0.159 0.000 1.100 266 K HN 0.324 nan 8.250 nan 0.000 0.438 267 V N 3.888 123.449 119.914 -0.588 0.000 2.394 267 V HA 0.333 4.451 4.120 -0.003 0.000 0.282 267 V C -0.402 175.442 176.094 -0.416 0.000 1.031 267 V CA -0.400 61.545 62.300 -0.592 0.000 0.881 267 V CB 1.215 32.408 31.823 -1.049 0.000 0.982 267 V HN 0.945 nan 8.190 nan 0.000 0.451 268 S N 2.355 117.917 115.700 -0.230 0.000 2.569 268 S HA 0.529 4.998 4.470 -0.003 0.000 0.280 268 S C -0.425 174.133 174.600 -0.071 0.000 1.111 268 S CA -0.727 57.395 58.200 -0.131 0.000 0.887 268 S CB 1.905 65.046 63.200 -0.099 0.000 1.095 268 S HN 0.786 nan 8.310 nan 0.000 0.476 269 D N 0.085 120.472 120.400 -0.023 0.000 2.708 269 D HA -0.159 4.479 4.640 -0.003 0.000 0.236 269 D C 0.307 176.608 176.300 0.001 0.000 1.146 269 D CA 1.370 55.372 54.000 0.003 0.000 0.662 269 D CB -1.292 39.507 40.800 -0.003 0.000 1.059 269 D HN 0.913 nan 8.370 nan 0.000 0.428 270 A N -0.349 122.474 122.820 0.006 0.000 2.284 270 A HA 0.608 4.927 4.320 -0.003 0.000 0.317 270 A C 1.099 178.706 177.584 0.038 0.000 1.120 270 A CA -0.248 51.794 52.037 0.009 0.000 0.900 270 A CB 2.022 21.017 19.000 -0.010 0.000 1.319 270 A HN 0.055 nan 8.150 nan 0.000 0.494 271 K N -1.857 118.559 120.400 0.027 0.000 2.424 271 K HA 0.531 4.850 4.320 -0.003 0.000 0.200 271 K C 0.010 176.621 176.600 0.018 0.000 1.279 271 K CA 0.914 57.213 56.287 0.020 0.000 0.918 271 K CB 0.829 33.328 32.500 -0.002 0.000 1.287 271 K HN 0.915 nan 8.250 nan 0.000 0.502 272 A N 1.161 123.985 122.820 0.006 0.000 2.547 272 A HA 0.563 4.881 4.320 -0.003 0.000 0.297 272 A C -1.232 176.339 177.584 -0.021 0.000 1.056 272 A CA -0.615 51.411 52.037 -0.019 0.000 0.688 272 A CB 1.615 20.578 19.000 -0.062 0.000 1.282 272 A HN 0.069 nan 8.150 nan 0.000 0.400 273 V N -1.266 118.629 119.914 -0.031 0.000 3.114 273 V HA 0.952 5.071 4.120 -0.003 0.000 0.308 273 V C -0.581 175.433 176.094 -0.133 0.000 1.168 273 V CA -0.592 61.690 62.300 -0.031 0.000 1.015 273 V CB 1.617 33.480 31.823 0.067 0.000 1.050 273 V HN 0.913 nan 8.190 nan 0.000 0.433 274 T N 3.990 118.456 114.554 -0.147 0.000 2.824 274 T HA 0.748 5.096 4.350 -0.003 0.000 0.282 274 T C -0.886 173.654 174.700 -0.267 0.000 0.993 274 T CA -0.248 61.675 62.100 -0.295 0.000 0.967 274 T CB 1.260 69.920 68.868 -0.346 0.000 0.960 274 T HN 0.593 nan 8.240 nan 0.000 0.441 275 L N 3.467 124.501 121.223 -0.316 0.000 2.295 275 L HA 0.493 4.831 4.340 -0.003 0.000 0.285 275 L C -0.924 175.713 176.870 -0.388 0.000 1.035 275 L CA -0.568 54.148 54.840 -0.205 0.000 0.806 275 L CB 0.491 42.506 42.059 -0.073 0.000 1.214 275 L HN 0.609 nan 8.230 nan 0.000 0.426 276 Y N 4.255 124.561 120.300 0.011 0.000 2.331 276 Y HA 0.626 5.175 4.550 -0.003 0.000 0.338 276 Y C -0.187 175.717 175.900 0.008 0.000 0.976 276 Y CA -0.511 57.595 58.100 0.010 0.000 1.137 276 Y CB 1.214 39.691 38.460 0.028 0.000 1.172 276 Y HN 0.350 nan 8.280 nan 0.000 0.478 277 I N 3.281 123.932 120.570 0.135 0.000 2.436 277 I HA 0.763 4.932 4.170 -0.003 0.000 0.289 277 I C -0.378 175.793 176.117 0.091 0.000 1.010 277 I CA -0.536 60.799 61.300 0.059 0.000 1.098 277 I CB 1.680 39.683 38.000 0.006 0.000 1.266 277 I HN 0.679 nan 8.210 nan 0.000 0.434 278 A N 4.672 127.521 122.820 0.047 0.000 2.469 278 A HA 1.027 5.346 4.320 -0.003 0.000 0.299 278 A C -1.161 176.433 177.584 0.016 0.000 1.098 278 A CA -0.570 51.509 52.037 0.071 0.000 0.737 278 A CB 1.899 20.949 19.000 0.083 0.000 1.312 278 A HN 0.887 nan 8.150 nan 0.000 0.414 279 A N -0.404 122.441 122.820 0.041 0.000 2.594 279 A HA 0.999 5.318 4.320 -0.003 0.000 0.295 279 A C -0.575 177.071 177.584 0.102 0.000 1.071 279 A CA 0.083 52.104 52.037 -0.026 0.000 0.685 279 A CB 1.179 19.934 19.000 -0.407 0.000 1.285 279 A HN 2.698 nan 8.150 nan 0.000 0.405 280 A N 0.089 123.072 122.820 0.273 0.000 2.610 280 A HA 0.954 5.272 4.320 -0.003 0.000 0.291 280 A C -0.245 177.621 177.584 0.470 0.000 1.086 280 A CA 0.189 52.421 52.037 0.325 0.000 0.677 280 A CB 0.928 20.063 19.000 0.224 0.000 1.278 280 A HN 2.346 nan 8.150 nan 0.000 0.414 281 T N -2.035 112.757 114.554 0.397 0.000 2.883 281 T HA 0.600 4.948 4.350 -0.003 0.000 0.284 281 T C -0.214 174.651 174.700 0.276 0.000 1.041 281 T CA 0.271 62.583 62.100 0.354 0.000 1.007 281 T CB 1.572 70.660 68.868 0.367 0.000 1.220 281 T HN 0.754 nan 8.240 nan 0.000 0.552 282 D N -0.483 120.059 120.400 0.237 0.000 2.370 282 D HA 0.034 4.672 4.640 -0.003 0.000 0.230 282 D C 0.170 176.597 176.300 0.212 0.000 1.143 282 D CA -0.549 53.562 54.000 0.184 0.000 0.834 282 D CB -0.895 39.978 40.800 0.122 0.000 0.944 282 D HN 0.583 nan 8.370 nan 0.000 0.504 283 Y N 1.951 122.361 120.300 0.184 0.000 2.683 283 Y HA 0.169 4.718 4.550 -0.003 0.000 0.340 283 Y C 0.093 176.091 175.900 0.163 0.000 1.245 283 Y CA 0.296 58.521 58.100 0.208 0.000 1.485 283 Y CB 0.562 39.149 38.460 0.211 0.000 1.328 283 Y HN -0.122 nan 8.280 nan 0.000 0.603 284 K N 4.755 124.706 120.400 -0.748 0.000 2.523 284 K HA 0.172 4.490 4.320 -0.003 0.000 0.257 284 K C -1.421 174.661 176.600 -0.864 0.000 0.932 284 K CA -0.832 55.095 56.287 -0.599 0.000 0.812 284 K CB 1.656 34.014 32.500 -0.237 0.000 1.326 284 K HN 0.767 nan 8.250 nan 0.000 0.433 285 Q N 3.966 123.517 119.800 -0.416 0.000 2.664 285 Q HA 0.068 4.406 4.340 -0.003 0.000 0.223 285 Q C -1.268 174.605 176.000 -0.211 0.000 1.298 285 Q CA 0.282 56.022 55.803 -0.104 0.000 0.965 285 Q CB 0.211 29.029 28.738 0.134 0.000 1.510 285 Q HN 0.347 nan 8.270 nan 0.000 0.567 286 K N 3.526 123.636 120.400 -0.482 0.000 2.687 286 K HA 0.103 4.421 4.320 -0.003 0.000 0.249 286 K C -1.917 174.207 176.600 -0.794 0.000 0.994 286 K CA -0.676 55.336 56.287 -0.458 0.000 0.913 286 K CB 0.854 33.170 32.500 -0.306 0.000 1.202 286 K HN 0.404 nan 8.250 nan 0.000 0.460 287 Y N 5.883 125.757 120.300 -0.710 0.000 2.359 287 Y HA 0.230 4.778 4.550 -0.002 0.000 0.330 287 Y C -1.614 174.114 175.900 -0.287 0.000 1.143 287 Y CA -1.055 56.699 58.100 -0.578 0.000 1.318 287 Y CB 1.141 39.465 38.460 -0.226 0.000 1.234 287 Y HN 0.531 nan 8.280 nan 0.000 0.522 288 P HA 0.023 nan 4.420 nan 0.000 0.264 288 P C 0.730 177.852 177.300 -0.297 0.000 1.259 288 P CA 0.828 63.343 63.100 -0.976 0.000 0.841 288 P CB 0.418 31.516 31.700 -1.003 0.000 1.232 289 S N -1.095 114.442 115.700 -0.272 0.000 2.446 289 S HA -0.095 4.373 4.470 -0.003 0.000 0.225 289 S C 0.758 175.386 174.600 0.045 0.000 1.016 289 S CA -0.135 58.014 58.200 -0.086 0.000 0.943 289 S CB -1.310 61.828 63.200 -0.102 0.000 0.786 289 S HN 0.035 nan 8.310 nan 0.000 0.508 290 Y N 1.702 121.956 120.300 -0.076 0.000 3.491 290 Y HA -0.182 4.366 4.550 -0.003 0.000 0.215 290 Y C 0.437 176.253 175.900 -0.139 0.000 1.219 290 Y CA 0.521 58.560 58.100 -0.101 0.000 1.485 290 Y CB -1.713 36.849 38.460 0.170 0.000 1.450 290 Y HN 0.311 nan 8.280 nan 0.000 0.603 291 R N -1.063 119.404 120.500 -0.056 0.000 2.771 291 R HA 0.439 4.777 4.340 -0.003 0.000 0.274 291 R C 1.185 177.453 176.300 -0.052 0.000 0.987 291 R CA 0.024 56.110 56.100 -0.023 0.000 0.908 291 R CB 1.104 31.413 30.300 0.015 0.000 1.213 291 R HN 0.123 nan 8.270 nan 0.000 0.468 292 T N -2.384 112.162 114.554 -0.013 0.000 2.995 292 T HA 0.034 4.382 4.350 -0.003 0.000 0.269 292 T C 1.293 175.989 174.700 -0.007 0.000 1.091 292 T CA 1.161 63.256 62.100 -0.009 0.000 1.128 292 T CB 0.031 68.916 68.868 0.027 0.000 0.891 292 T HN 0.895 nan 8.240 nan 0.000 0.492 293 G N 1.018 109.818 108.800 -0.000 0.000 2.175 293 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.244 293 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.244 293 G C -0.170 174.735 174.900 0.010 0.000 0.982 293 G CA 0.068 45.167 45.100 -0.001 0.000 0.641 293 G HN 0.667 nan 8.290 nan 0.000 0.527 294 E N 1.554 121.767 120.200 0.022 0.000 2.398 294 E HA 0.426 4.774 4.350 -0.003 0.000 0.263 294 E C 1.249 177.863 176.600 0.024 0.000 1.046 294 E CA 0.535 56.951 56.400 0.027 0.000 0.908 294 E CB 0.537 30.262 29.700 0.042 0.000 0.963 294 E HN 0.463 nan 8.360 nan 0.000 0.431 295 T N -1.103 113.463 114.554 0.019 0.000 2.816 295 T HA 0.346 4.694 4.350 -0.003 0.000 0.282 295 T C 1.179 175.889 174.700 0.017 0.000 0.993 295 T CA -0.302 61.807 62.100 0.014 0.000 0.994 295 T CB 1.420 70.293 68.868 0.009 0.000 1.025 295 T HN 0.474 nan 8.240 nan 0.000 0.529 296 A N 1.044 123.868 122.820 0.006 0.000 1.940 296 A HA 0.100 4.419 4.320 -0.003 0.000 0.219 296 A C 2.644 180.234 177.584 0.010 0.000 1.176 296 A CA 2.035 54.072 52.037 0.000 0.000 0.631 296 A CB -1.591 17.395 19.000 -0.024 0.000 0.814 296 A HN 1.264 nan 8.150 nan 0.000 0.446 297 A N -0.378 122.447 122.820 0.009 0.000 1.902 297 A HA -0.168 4.151 4.320 -0.003 0.000 0.217 297 A C 1.927 179.525 177.584 0.023 0.000 1.181 297 A CA 1.670 53.715 52.037 0.014 0.000 0.623 297 A CB -0.490 18.516 19.000 0.010 0.000 0.818 297 A HN 0.647 nan 8.150 nan 0.000 0.443 298 E N -0.421 119.794 120.200 0.025 0.000 2.072 298 E HA -0.105 4.243 4.350 -0.003 0.000 0.191 298 E C 1.980 178.607 176.600 0.045 0.000 0.985 298 E CA 1.197 57.617 56.400 0.032 0.000 0.801 298 E CB -0.233 29.485 29.700 0.029 0.000 0.750 298 E HN 0.394 nan 8.360 nan 0.000 0.452 299 V N 2.188 122.134 119.914 0.053 0.000 2.343 299 V HA -0.303 3.815 4.120 -0.003 0.000 0.247 299 V C 2.265 178.405 176.094 0.077 0.000 1.051 299 V CA 1.845 64.191 62.300 0.077 0.000 1.036 299 V CB -0.694 31.185 31.823 0.093 0.000 0.654 299 V HN 0.399 nan 8.190 nan 0.000 0.451 300 N N 0.099 118.835 118.700 0.059 0.000 2.069 300 N HA -0.200 4.539 4.740 -0.003 0.000 0.191 300 N C 1.789 177.329 175.510 0.051 0.000 1.031 300 N CA 2.176 55.259 53.050 0.055 0.000 0.852 300 N CB -0.051 38.459 38.487 0.037 0.000 1.018 300 N HN 0.499 nan 8.380 nan 0.000 0.423 301 T N 0.899 115.478 114.554 0.042 0.000 2.746 301 T HA -0.138 4.211 4.350 -0.003 0.000 0.267 301 T C 1.936 176.661 174.700 0.043 0.000 1.039 301 T CA 1.092 63.215 62.100 0.037 0.000 1.142 301 T CB -0.187 68.699 68.868 0.030 0.000 0.866 301 T HN 0.355 nan 8.240 nan 0.000 0.444 302 R N 0.617 121.148 120.500 0.052 0.000 2.073 302 R HA -0.076 4.262 4.340 -0.003 0.000 0.234 302 R C 2.309 178.648 176.300 0.064 0.000 1.134 302 R CA 1.335 57.470 56.100 0.058 0.000 0.952 302 R CB -0.579 29.762 30.300 0.068 0.000 0.850 302 R HN 0.215 nan 8.270 nan 0.000 0.433 303 V N 1.200 121.159 119.914 0.076 0.000 2.343 303 V HA -0.208 3.910 4.120 -0.003 0.000 0.247 303 V C 2.499 178.630 176.094 0.062 0.000 1.051 303 V CA 1.848 64.197 62.300 0.081 0.000 1.036 303 V CB -0.789 31.095 31.823 0.102 0.000 0.654 303 V HN 0.583 nan 8.190 nan 0.000 0.451 304 A N -0.166 122.686 122.820 0.053 0.000 1.908 304 A HA -0.299 4.019 4.320 -0.003 0.000 0.218 304 A C 2.355 179.956 177.584 0.028 0.000 1.181 304 A CA 2.323 54.383 52.037 0.040 0.000 0.627 304 A CB -0.509 18.511 19.000 0.034 0.000 0.818 304 A HN 0.529 nan 8.150 nan 0.000 0.445 305 K N -0.322 120.096 120.400 0.030 0.000 2.148 305 K HA -0.055 4.263 4.320 -0.003 0.000 0.204 305 K C 1.781 178.391 176.600 0.016 0.000 1.050 305 K CA 1.272 57.571 56.287 0.020 0.000 0.942 305 K CB -0.218 32.296 32.500 0.025 0.000 0.724 305 K HN 0.262 nan 8.250 nan 0.000 0.446 306 V N 1.226 121.159 119.914 0.032 0.000 2.255 306 V HA -0.265 3.854 4.120 -0.003 0.000 0.247 306 V C 2.373 178.473 176.094 0.009 0.000 1.051 306 V CA 1.988 64.310 62.300 0.035 0.000 1.018 306 V CB -0.451 31.410 31.823 0.063 0.000 0.641 306 V HN 0.392 nan 8.190 nan 0.000 0.445 307 V N -1.587 118.336 119.914 0.015 0.000 2.427 307 V HA -0.244 3.874 4.120 -0.003 0.000 0.248 307 V C 2.317 178.345 176.094 -0.111 0.000 1.051 307 V CA 2.187 64.480 62.300 -0.011 0.000 1.048 307 V CB -0.876 30.986 31.823 0.065 0.000 0.666 307 V HN 0.504 nan 8.190 nan 0.000 0.456 308 Q N 1.077 120.840 119.800 -0.061 0.000 2.046 308 Q HA -0.174 4.165 4.340 -0.003 0.000 0.200 308 Q C 1.902 177.841 176.000 -0.101 0.000 0.975 308 Q CA 2.318 58.078 55.803 -0.072 0.000 0.836 308 Q CB -0.603 28.119 28.738 -0.027 0.000 0.896 308 Q HN 0.691 nan 8.270 nan 0.000 0.428 309 D N -0.282 120.074 120.400 -0.072 0.000 2.123 309 D HA -0.146 4.492 4.640 -0.003 0.000 0.196 309 D C 1.586 177.819 176.300 -0.112 0.000 0.992 309 D CA 1.532 55.495 54.000 -0.061 0.000 0.833 309 D CB -0.355 40.433 40.800 -0.020 0.000 0.954 309 D HN 0.399 nan 8.370 nan 0.000 0.455 310 A N 0.969 123.676 122.820 -0.189 0.000 1.873 310 A HA -0.016 4.302 4.320 -0.003 0.000 0.215 310 A C 2.324 179.562 177.584 -0.576 0.000 1.186 310 A CA 2.185 54.037 52.037 -0.309 0.000 0.616 310 A CB -0.763 18.049 19.000 -0.314 0.000 0.823 310 A HN 0.230 nan 8.150 nan 0.000 0.442 311 A N 0.301 122.659 122.820 -0.770 0.000 1.933 311 A HA -0.208 4.111 4.320 -0.003 0.000 0.218 311 A C 1.888 179.370 177.584 -0.170 0.000 1.175 311 A CA 1.892 53.600 52.037 -0.548 0.000 0.628 311 A CB -0.663 18.152 19.000 -0.309 0.000 0.814 311 A HN 0.540 nan 8.150 nan 0.000 0.444 312 N N 0.055 118.678 118.700 -0.128 0.000 2.166 312 N HA -0.119 4.619 4.740 -0.003 0.000 0.186 312 N C 1.589 177.089 175.510 -0.017 0.000 1.019 312 N CA 1.508 54.530 53.050 -0.046 0.000 0.856 312 N CB -0.302 38.163 38.487 -0.036 0.000 0.993 312 N HN 0.577 nan 8.380 nan 0.000 0.426 313 K N -0.076 120.309 120.400 -0.025 0.000 2.103 313 K HA 0.079 4.397 4.320 -0.003 0.000 0.204 313 K C 0.741 177.377 176.600 0.060 0.000 1.052 313 K CA 0.727 57.025 56.287 0.019 0.000 0.945 313 K CB -0.112 32.404 32.500 0.026 0.000 0.722 313 K HN 0.287 nan 8.250 nan 0.000 0.443 314 G N 0.043 108.894 108.800 0.084 0.000 2.692 314 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.686 314 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.686 314 G C -0.045 175.036 174.900 0.301 0.000 1.243 314 G CA -0.135 45.082 45.100 0.195 0.000 0.782 314 G HN 0.198 nan 8.290 nan 0.000 0.625 315 Y N 0.895 121.356 120.300 0.268 0.000 2.114 315 Y HA -0.162 4.387 4.550 -0.003 0.000 0.282 315 Y C 3.069 179.090 175.900 0.201 0.000 1.165 315 Y CA 3.374 61.627 58.100 0.255 0.000 1.148 315 Y CB -0.518 38.034 38.460 0.152 0.000 0.972 315 Y HN 0.715 nan 8.280 nan 0.000 0.504 316 T N 0.826 115.376 114.554 -0.006 0.000 2.684 316 T HA -0.229 4.119 4.350 -0.003 0.000 0.267 316 T C 2.118 176.757 174.700 -0.102 0.000 1.036 316 T CA 1.843 63.864 62.100 -0.132 0.000 1.148 316 T CB -0.896 67.987 68.868 0.025 0.000 0.863 316 T HN 0.511 nan 8.240 nan 0.000 0.436 317 A N 0.777 123.597 122.820 -0.001 0.000 1.898 317 A HA 0.002 4.321 4.320 -0.003 0.000 0.216 317 A C 2.600 180.207 177.584 0.037 0.000 1.181 317 A CA 1.165 53.213 52.037 0.019 0.000 0.620 317 A CB -0.927 18.099 19.000 0.045 0.000 0.819 317 A HN 0.347 nan 8.150 nan 0.000 0.442 318 V N 0.339 120.308 119.914 0.091 0.000 2.295 318 V HA -0.272 3.847 4.120 -0.003 0.000 0.246 318 V C 2.545 178.730 176.094 0.151 0.000 1.049 318 V CA 2.401 64.812 62.300 0.185 0.000 1.024 318 V CB -0.647 31.378 31.823 0.337 0.000 0.648 318 V HN 0.697 nan 8.190 nan 0.000 0.447 319 K N 0.503 120.894 120.400 -0.015 0.000 2.026 319 K HA -0.263 4.055 4.320 -0.003 0.000 0.208 319 K C 2.299 178.763 176.600 -0.226 0.000 1.048 319 K CA 2.033 58.145 56.287 -0.292 0.000 0.929 319 K CB -0.197 31.991 32.500 -0.520 0.000 0.713 319 K HN 0.415 nan 8.250 nan 0.000 0.439 320 K N 0.154 120.471 120.400 -0.139 0.000 2.032 320 K HA -0.153 4.166 4.320 -0.003 0.000 0.209 320 K C 1.974 178.546 176.600 -0.047 0.000 1.048 320 K CA 1.453 57.688 56.287 -0.087 0.000 0.927 320 K CB -0.265 32.204 32.500 -0.053 0.000 0.712 320 K HN 0.223 nan 8.250 nan 0.000 0.441 321 A N 1.220 124.040 122.820 0.001 0.000 1.933 321 A HA -0.224 4.094 4.320 -0.003 0.000 0.218 321 A C 2.193 179.807 177.584 0.050 0.000 1.175 321 A CA 1.685 53.744 52.037 0.037 0.000 0.628 321 A CB -0.987 18.057 19.000 0.073 0.000 0.814 321 A HN 0.641 nan 8.150 nan 0.000 0.444 322 H N -0.061 118.987 119.070 -0.037 0.000 2.293 322 H HA -0.078 4.476 4.556 -0.003 0.000 0.300 322 H C 1.985 177.281 175.328 -0.053 0.000 1.082 322 H CA 2.018 58.039 56.048 -0.045 0.000 1.308 322 H CB -0.165 29.471 29.762 -0.210 0.000 1.375 322 H HN 0.449 nan 8.280 nan 0.000 0.495 323 I N 1.061 121.415 120.570 -0.360 0.000 2.286 323 I HA -0.253 3.915 4.170 -0.003 0.000 0.248 323 I C 2.139 178.169 176.117 -0.145 0.000 1.115 323 I CA 1.243 62.353 61.300 -0.317 0.000 1.392 323 I CB -0.307 37.580 38.000 -0.190 0.000 1.065 323 I HN 0.256 nan 8.210 nan 0.000 0.418 324 D N 0.711 121.058 120.400 -0.087 0.000 2.104 324 D HA -0.241 4.398 4.640 -0.003 0.000 0.194 324 D C 1.739 178.029 176.300 -0.016 0.000 0.994 324 D CA 1.709 55.691 54.000 -0.029 0.000 0.830 324 D CB -0.413 40.380 40.800 -0.011 0.000 0.959 324 D HN 0.402 nan 8.370 nan 0.000 0.452 325 D N -0.674 119.711 120.400 -0.025 0.000 2.097 325 D HA -0.201 4.437 4.640 -0.003 0.000 0.195 325 D C 2.012 178.315 176.300 0.006 0.000 0.989 325 D CA 1.136 55.140 54.000 0.007 0.000 0.827 325 D CB -0.019 40.809 40.800 0.045 0.000 0.966 325 D HN 0.211 nan 8.370 nan 0.000 0.456 326 H N -0.092 118.889 119.070 -0.150 0.000 2.299 326 H HA -0.102 4.453 4.556 -0.003 0.000 0.302 326 H C 2.109 177.450 175.328 0.022 0.000 1.078 326 H CA 2.100 58.091 56.048 -0.095 0.000 1.323 326 H CB -0.278 29.324 29.762 -0.266 0.000 1.381 326 H HN 0.298 nan 8.280 nan 0.000 0.498 327 S N 0.550 116.302 115.700 0.086 0.000 2.423 327 S HA -0.032 4.436 4.470 -0.003 0.000 0.231 327 S C 2.439 177.085 174.600 0.076 0.000 1.014 327 S CA 0.857 59.135 58.200 0.129 0.000 0.965 327 S CB -0.505 62.773 63.200 0.130 0.000 0.785 327 S HN 0.542 nan 8.310 nan 0.000 0.495 328 A N 1.938 124.778 122.820 0.033 0.000 1.940 328 A HA 0.024 4.343 4.320 -0.003 0.000 0.219 328 A C 2.177 179.773 177.584 0.020 0.000 1.176 328 A CA 1.665 53.719 52.037 0.028 0.000 0.631 328 A CB -0.727 18.286 19.000 0.021 0.000 0.814 328 A HN 0.640 nan 8.150 nan 0.000 0.446 329 I N -3.054 117.512 120.570 -0.006 0.000 2.429 329 I HA -0.103 4.066 4.170 -0.003 0.000 0.247 329 I C 2.400 178.515 176.117 -0.003 0.000 1.099 329 I CA 1.095 62.386 61.300 -0.015 0.000 1.422 329 I CB -0.428 37.547 38.000 -0.041 0.000 1.112 329 I HN 0.431 nan 8.210 nan 0.000 0.430 330 Y N 2.011 122.223 120.300 -0.147 0.000 2.181 330 Y HA -0.266 4.283 4.550 -0.003 0.000 0.288 330 Y C 1.843 177.760 175.900 0.028 0.000 1.146 330 Y CA 1.687 59.743 58.100 -0.073 0.000 1.164 330 Y CB -0.133 38.265 38.460 -0.103 0.000 0.982 330 Y HN 0.162 nan 8.280 nan 0.000 0.515 331 D N -0.329 120.139 120.400 0.113 0.000 2.349 331 D HA -0.014 4.624 4.640 -0.003 0.000 0.224 331 D C 1.842 178.148 176.300 0.010 0.000 1.029 331 D CA 0.414 54.456 54.000 0.070 0.000 0.879 331 D CB -0.117 40.766 40.800 0.137 0.000 0.906 331 D HN 0.445 nan 8.370 nan 0.000 0.528 332 R N -0.210 120.284 120.500 -0.011 0.000 2.120 332 R HA -0.003 4.336 4.340 -0.003 0.000 0.234 332 R C 0.500 176.807 176.300 0.011 0.000 1.123 332 R CA 0.604 56.708 56.100 0.008 0.000 0.975 332 R CB 0.330 30.637 30.300 0.012 0.000 0.866 332 R HN -0.024 nan 8.270 nan 0.000 0.446 333 V N 1.710 121.611 119.914 -0.023 0.000 2.495 333 V HA 0.277 4.395 4.120 -0.003 0.000 0.298 333 V C -0.372 175.723 176.094 0.001 0.000 1.031 333 V CA -0.810 61.502 62.300 0.020 0.000 0.871 333 V CB 1.897 33.764 31.823 0.074 0.000 0.988 333 V HN 0.019 nan 8.190 nan 0.000 0.432 334 K N 4.578 124.996 120.400 0.030 0.000 2.371 334 K HA 0.676 4.994 4.320 -0.003 0.000 0.251 334 K C -1.177 175.428 176.600 0.009 0.000 0.934 334 K CA -0.549 55.750 56.287 0.020 0.000 0.798 334 K CB 3.169 35.678 32.500 0.014 0.000 1.204 334 K HN 0.676 nan 8.250 nan 0.000 0.427 335 I N 1.111 121.671 120.570 -0.016 0.000 2.571 335 I HA 0.237 4.405 4.170 -0.003 0.000 0.289 335 I C -1.627 174.425 176.117 -0.109 0.000 1.115 335 I CA -0.448 60.803 61.300 -0.081 0.000 1.045 335 I CB 1.900 39.793 38.000 -0.179 0.000 1.238 335 I HN 0.429 nan 8.210 nan 0.000 0.424 336 D N 7.693 127.999 120.400 -0.158 0.000 2.469 336 D HA 0.360 4.999 4.640 -0.003 0.000 0.251 336 D C -0.211 175.920 176.300 -0.282 0.000 1.173 336 D CA -0.209 53.678 54.000 -0.189 0.000 0.882 336 D CB 1.403 42.100 40.800 -0.172 0.000 1.129 336 D HN 0.554 nan 8.370 nan 0.000 0.549 337 L N 2.451 123.506 121.223 -0.280 0.000 2.857 337 L HA 0.376 4.715 4.340 -0.003 0.000 0.249 337 L C 1.341 178.077 176.870 -0.224 0.000 1.172 337 L CA 0.049 54.687 54.840 -0.338 0.000 0.980 337 L CB 0.483 42.207 42.059 -0.559 0.000 1.299 337 L HN 0.675 nan 8.230 nan 0.000 0.535 338 G N 0.689 109.385 108.800 -0.173 0.000 2.130 338 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.216 338 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.216 338 G C 0.207 175.061 174.900 -0.076 0.000 0.999 338 G CA -0.077 44.955 45.100 -0.113 0.000 0.686 338 G HN 0.424 nan 8.290 nan 0.000 0.515 339 Q N 0.994 120.747 119.800 -0.077 0.000 2.392 339 Q HA 0.531 4.870 4.340 -0.003 0.000 0.262 339 Q C 0.718 176.700 176.000 -0.031 0.000 1.003 339 Q CA 0.421 56.201 55.803 -0.038 0.000 0.888 339 Q CB 1.002 29.722 28.738 -0.031 0.000 1.260 339 Q HN 0.961 nan 8.270 nan 0.000 0.435 340 S N 0.866 116.561 115.700 -0.009 0.000 2.634 340 S HA 0.783 5.251 4.470 -0.003 0.000 0.261 340 S C 0.380 174.979 174.600 -0.001 0.000 1.271 340 S CA -0.125 58.069 58.200 -0.011 0.000 0.985 340 S CB 1.134 64.341 63.200 0.011 0.000 0.968 340 S HN 0.980 nan 8.310 nan 0.000 0.568 341 G N -1.019 107.770 108.800 -0.019 0.000 2.749 341 G HA2 0.413 4.371 3.960 -0.003 0.000 0.300 341 G HA3 0.413 4.371 3.960 -0.003 0.000 0.300 341 G C 0.314 175.202 174.900 -0.020 0.000 1.352 341 G CA -0.224 44.872 45.100 -0.006 0.000 0.789 341 G HN 0.913 nan 8.290 nan 0.000 0.509 342 H N -0.933 118.082 119.070 -0.091 0.000 2.521 342 H HA 0.059 4.613 4.556 -0.003 0.000 0.286 342 H C 1.318 176.409 175.328 -0.394 0.000 1.034 342 H CA 1.606 57.507 56.048 -0.245 0.000 1.278 342 H CB 0.104 29.498 29.762 -0.612 0.000 1.386 342 H HN 0.192 nan 8.280 nan 0.000 0.567 343 S N 0.382 115.554 115.700 -0.880 0.000 2.548 343 S HA 0.081 4.549 4.470 -0.003 0.000 0.215 343 S C 0.618 175.024 174.600 -0.323 0.000 0.976 343 S CA -0.297 57.514 58.200 -0.648 0.000 0.908 343 S CB 0.238 63.014 63.200 -0.707 0.000 0.781 343 S HN 0.305 nan 8.310 nan 0.000 0.519 344 S N 2.848 118.414 115.700 -0.223 0.000 2.579 344 S HA 0.095 4.563 4.470 -0.003 0.000 0.275 344 S C -0.132 174.421 174.600 -0.079 0.000 1.345 344 S CA -0.413 57.715 58.200 -0.121 0.000 1.031 344 S CB 0.226 63.387 63.200 -0.066 0.000 0.892 344 S HN 0.296 nan 8.310 nan 0.000 0.529 345 D N 1.400 121.763 120.400 -0.061 0.000 2.487 345 D HA 0.305 4.943 4.640 -0.003 0.000 0.243 345 D C 1.207 177.503 176.300 -0.006 0.000 1.154 345 D CA 1.168 55.147 54.000 -0.035 0.000 0.876 345 D CB 0.197 40.977 40.800 -0.033 0.000 1.161 345 D HN 0.863 nan 8.370 nan 0.000 0.478 346 G N 1.663 110.471 108.800 0.014 0.000 2.221 346 G HA2 -0.165 3.793 3.960 -0.003 0.000 0.265 346 G HA3 -0.165 3.793 3.960 -0.003 0.000 0.265 346 G C 0.525 175.471 174.900 0.077 0.000 1.041 346 G CA 0.150 45.275 45.100 0.042 0.000 0.807 346 G HN 0.846 nan 8.290 nan 0.000 0.502 347 A N -0.840 122.043 122.820 0.105 0.000 2.540 347 A HA 0.581 4.900 4.320 -0.003 0.000 0.239 347 A C 0.950 178.734 177.584 0.334 0.000 1.061 347 A CA 0.658 52.822 52.037 0.211 0.000 0.758 347 A CB 0.468 19.596 19.000 0.212 0.000 0.991 347 A HN 1.950 nan 8.150 nan 0.000 0.502 348 V N 0.176 120.238 119.914 0.246 0.000 2.581 348 V HA 0.826 4.944 4.120 -0.003 0.000 0.303 348 V C 0.563 176.439 176.094 -0.364 0.000 1.041 348 V CA -0.628 61.682 62.300 0.017 0.000 0.907 348 V CB 0.775 32.573 31.823 -0.042 0.000 0.994 348 V HN 1.585 nan 8.190 nan 0.000 0.442 349 A N 3.128 125.388 122.820 -0.933 0.000 2.448 349 A HA 0.403 4.721 4.320 -0.003 0.000 0.239 349 A C 1.375 178.374 177.584 -0.976 0.000 1.080 349 A CA 0.612 51.652 52.037 -1.661 0.000 0.779 349 A CB -0.125 18.148 19.000 -1.211 0.000 1.026 349 A HN 1.108 nan 8.150 nan 0.000 0.499 350 T N 0.865 114.740 114.554 -1.132 0.000 2.788 350 T HA -0.150 4.198 4.350 -0.003 0.000 0.268 350 T C 1.442 175.895 174.700 -0.411 0.000 1.044 350 T CA 1.821 63.505 62.100 -0.694 0.000 1.139 350 T CB -0.412 68.003 68.868 -0.755 0.000 0.867 350 T HN 0.901 nan 8.240 nan 0.000 0.454 351 D N 2.252 122.436 120.400 -0.360 0.000 2.117 351 D HA -0.025 4.613 4.640 -0.003 0.000 0.197 351 D C 2.216 178.445 176.300 -0.119 0.000 0.987 351 D CA 1.255 55.204 54.000 -0.084 0.000 0.829 351 D CB -0.842 40.003 40.800 0.075 0.000 0.961 351 D HN 0.426 nan 8.370 nan 0.000 0.460 352 A N 0.411 123.117 122.820 -0.189 0.000 1.933 352 A HA -0.054 4.264 4.320 -0.003 0.000 0.218 352 A C 2.225 179.750 177.584 -0.099 0.000 1.175 352 A CA 1.431 53.387 52.037 -0.135 0.000 0.628 352 A CB -0.866 18.035 19.000 -0.165 0.000 0.814 352 A HN 0.279 nan 8.150 nan 0.000 0.444 353 L N -0.698 120.441 121.223 -0.140 0.000 2.017 353 L HA -0.123 4.215 4.340 -0.003 0.000 0.208 353 L C 2.264 179.131 176.870 -0.004 0.000 1.073 353 L CA 2.109 56.909 54.840 -0.068 0.000 0.745 353 L CB -0.629 41.366 42.059 -0.107 0.000 0.894 353 L HN 0.363 nan 8.230 nan 0.000 0.432 354 L N -0.151 121.045 121.223 -0.045 0.000 2.012 354 L HA -0.241 4.097 4.340 -0.003 0.000 0.210 354 L C 2.571 179.474 176.870 0.055 0.000 1.073 354 L CA 2.090 56.924 54.840 -0.009 0.000 0.748 354 L CB -0.832 41.206 42.059 -0.034 0.000 0.891 354 L HN 0.356 nan 8.230 nan 0.000 0.431 355 K N -0.890 119.524 120.400 0.023 0.000 2.057 355 K HA -0.173 4.146 4.320 -0.003 0.000 0.207 355 K C 2.006 178.634 176.600 0.048 0.000 1.049 355 K CA 1.360 57.665 56.287 0.030 0.000 0.931 355 K CB -0.262 32.239 32.500 0.002 0.000 0.714 355 K HN 0.487 nan 8.250 nan 0.000 0.440 356 A N 0.118 122.966 122.820 0.046 0.000 1.902 356 A HA -0.200 4.119 4.320 -0.003 0.000 0.217 356 A C 2.030 179.661 177.584 0.078 0.000 1.181 356 A CA 1.347 53.411 52.037 0.046 0.000 0.623 356 A CB -0.857 18.164 19.000 0.035 0.000 0.818 356 A HN 0.538 nan 8.150 nan 0.000 0.443 357 Y N 0.445 120.741 120.300 -0.007 0.000 2.181 357 Y HA -0.274 4.275 4.550 -0.003 0.000 0.288 357 Y C 2.659 178.556 175.900 -0.004 0.000 1.146 357 Y CA 2.372 60.473 58.100 0.002 0.000 1.164 357 Y CB -0.213 38.249 38.460 0.004 0.000 0.982 357 Y HN 0.432 nan 8.280 nan 0.000 0.515 358 Q N -0.442 119.482 119.800 0.207 0.000 2.124 358 Q HA -0.183 4.155 4.340 -0.003 0.000 0.202 358 Q C 2.099 178.122 176.000 0.037 0.000 0.977 358 Q CA 1.569 57.442 55.803 0.117 0.000 0.850 358 Q CB -0.135 28.660 28.738 0.095 0.000 0.901 358 Q HN 0.458 nan 8.270 nan 0.000 0.429 359 R N -0.799 119.715 120.500 0.024 0.000 2.275 359 R HA 0.060 4.399 4.340 -0.003 0.000 0.199 359 R C 0.914 177.199 176.300 -0.024 0.000 0.989 359 R CA 0.562 56.662 56.100 0.000 0.000 1.016 359 R CB 0.372 30.675 30.300 0.004 0.000 0.918 359 R HN 0.362 nan 8.270 nan 0.000 0.473 360 G N 1.088 109.857 108.800 -0.052 0.000 2.147 360 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.244 360 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.244 360 G C 0.616 175.481 174.900 -0.059 0.000 1.005 360 G CA 0.599 45.648 45.100 -0.085 0.000 0.713 360 G HN 0.462 nan 8.290 nan 0.000 0.515 361 S N -1.530 114.147 115.700 -0.037 0.000 2.539 361 S HA 0.694 5.162 4.470 -0.003 0.000 0.221 361 S C 1.200 175.792 174.600 -0.013 0.000 0.987 361 S CA 1.083 59.271 58.200 -0.021 0.000 0.929 361 S CB 0.750 63.945 63.200 -0.009 0.000 0.832 361 S HN 1.850 nan 8.310 nan 0.000 0.492 362 A N 2.969 125.778 122.820 -0.018 0.000 2.450 362 A HA 0.523 4.842 4.320 -0.003 0.000 0.255 362 A C 0.918 178.503 177.584 0.002 0.000 1.096 362 A CA -0.054 51.989 52.037 0.011 0.000 0.778 362 A CB -0.223 18.807 19.000 0.051 0.000 1.031 362 A HN 0.618 nan 8.150 nan 0.000 0.494 363 T N 0.422 114.988 114.554 0.019 0.000 2.748 363 T HA 0.199 4.547 4.350 -0.003 0.000 0.304 363 T C 1.362 176.083 174.700 0.034 0.000 1.041 363 T CA 0.459 62.570 62.100 0.018 0.000 1.033 363 T CB 0.167 69.046 68.868 0.018 0.000 0.995 363 T HN 0.554 nan 8.240 nan 0.000 0.536 364 T N 1.401 115.973 114.554 0.031 0.000 2.665 364 T HA -0.112 4.237 4.350 -0.003 0.000 0.268 364 T C 2.408 177.144 174.700 0.060 0.000 1.035 364 T CA 1.639 63.769 62.100 0.050 0.000 1.151 364 T CB -0.984 67.907 68.868 0.038 0.000 0.862 364 T HN 0.806 nan 8.240 nan 0.000 0.438 365 A N 1.209 124.051 122.820 0.037 0.000 1.908 365 A HA -0.203 4.115 4.320 -0.003 0.000 0.218 365 A C 2.287 179.902 177.584 0.052 0.000 1.181 365 A CA 1.761 53.814 52.037 0.028 0.000 0.627 365 A CB -0.683 18.322 19.000 0.009 0.000 0.818 365 A HN 0.575 nan 8.150 nan 0.000 0.445 366 Q N -0.500 119.340 119.800 0.066 0.000 2.079 366 Q HA -0.138 4.201 4.340 -0.003 0.000 0.200 366 Q C 2.098 178.198 176.000 0.168 0.000 0.974 366 Q CA 1.539 57.398 55.803 0.093 0.000 0.840 366 Q CB -0.157 28.629 28.738 0.079 0.000 0.898 366 Q HN 0.636 nan 8.270 nan 0.000 0.430 367 K N 0.181 120.705 120.400 0.206 0.000 2.032 367 K HA -0.118 4.200 4.320 -0.003 0.000 0.209 367 K C 2.069 178.870 176.600 0.335 0.000 1.048 367 K CA 0.902 57.417 56.287 0.381 0.000 0.927 367 K CB -0.001 32.665 32.500 0.276 0.000 0.712 367 K HN 0.051 nan 8.250 nan 0.000 0.441 368 R N 1.104 121.719 120.500 0.192 0.000 2.120 368 R HA -0.125 4.214 4.340 -0.003 0.000 0.234 368 R C 2.075 178.409 176.300 0.057 0.000 1.123 368 R CA 1.149 57.304 56.100 0.092 0.000 0.975 368 R CB -0.461 29.834 30.300 -0.009 0.000 0.866 368 R HN 0.477 nan 8.270 nan 0.000 0.446 369 E N 0.584 120.824 120.200 0.067 0.000 2.031 369 E HA -0.192 4.156 4.350 -0.003 0.000 0.193 369 E C 1.867 178.493 176.600 0.044 0.000 0.994 369 E CA 1.027 57.458 56.400 0.051 0.000 0.800 369 E CB -0.066 29.667 29.700 0.054 0.000 0.752 369 E HN 0.079 nan 8.360 nan 0.000 0.447 370 L N 1.440 122.688 121.223 0.042 0.000 2.046 370 L HA -0.157 4.182 4.340 -0.003 0.000 0.208 370 L C 1.943 178.790 176.870 -0.038 0.000 1.077 370 L CA 1.884 56.690 54.840 -0.056 0.000 0.747 370 L CB -0.320 41.615 42.059 -0.207 0.000 0.896 370 L HN 0.148 nan 8.230 nan 0.000 0.432 371 E N -1.135 119.096 120.200 0.053 0.000 2.051 371 E HA -0.214 4.135 4.350 -0.003 0.000 0.192 371 E C 2.007 178.689 176.600 0.137 0.000 0.991 371 E CA 1.918 58.400 56.400 0.136 0.000 0.799 371 E CB -0.298 29.594 29.700 0.320 0.000 0.748 371 E HN 0.705 nan 8.360 nan 0.000 0.449 372 T N -0.491 114.110 114.554 0.078 0.000 2.904 372 T HA -0.036 4.313 4.350 -0.003 0.000 0.267 372 T C 1.996 176.805 174.700 0.181 0.000 1.059 372 T CA 0.466 62.626 62.100 0.099 0.000 1.137 372 T CB -0.268 68.603 68.868 0.006 0.000 0.879 372 T HN 0.024 nan 8.240 nan 0.000 0.467 373 L N 0.671 121.962 121.223 0.113 0.000 2.017 373 L HA -0.049 4.290 4.340 -0.003 0.000 0.208 373 L C 2.949 179.889 176.870 0.116 0.000 1.073 373 L CA 0.986 55.883 54.840 0.095 0.000 0.745 373 L CB -0.583 41.478 42.059 0.003 0.000 0.894 373 L HN 0.177 nan 8.230 nan 0.000 0.432 374 V N -0.913 119.061 119.914 0.100 0.000 2.343 374 V HA -0.346 3.772 4.120 -0.003 0.000 0.247 374 V C 2.201 178.428 176.094 0.221 0.000 1.051 374 V CA 1.918 64.304 62.300 0.143 0.000 1.036 374 V CB -0.730 31.138 31.823 0.075 0.000 0.654 374 V HN 0.422 nan 8.190 nan 0.000 0.451 375 Y N 1.490 121.872 120.300 0.138 0.000 2.081 375 Y HA -0.313 4.235 4.550 -0.003 0.000 0.280 375 Y C 2.520 178.532 175.900 0.186 0.000 1.163 375 Y CA 2.167 60.359 58.100 0.154 0.000 1.135 375 Y CB -0.281 38.252 38.460 0.123 0.000 0.970 375 Y HN 0.156 nan 8.280 nan 0.000 0.498 376 K N -1.336 119.181 120.400 0.195 0.000 2.148 376 K HA -0.215 4.104 4.320 -0.003 0.000 0.204 376 K C 1.963 178.749 176.600 0.311 0.000 1.050 376 K CA 1.356 57.755 56.287 0.186 0.000 0.942 376 K CB -0.508 32.198 32.500 0.344 0.000 0.724 376 K HN 0.337 nan 8.250 nan 0.000 0.446 377 Y N 1.391 121.776 120.300 0.141 0.000 2.224 377 Y HA -0.118 4.431 4.550 -0.003 0.000 0.289 377 Y C 2.249 178.258 175.900 0.182 0.000 1.146 377 Y CA 1.214 59.414 58.100 0.168 0.000 1.182 377 Y CB -0.782 37.717 38.460 0.065 0.000 0.983 377 Y HN 0.051 nan 8.280 nan 0.000 0.524 378 G N -0.294 108.585 108.800 0.131 0.000 2.422 378 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.218 378 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.218 378 G C 1.883 176.892 174.900 0.181 0.000 1.146 378 G CA 0.686 45.820 45.100 0.057 0.000 0.769 378 G HN 0.333 nan 8.290 nan 0.000 0.547 379 R N -1.029 119.524 120.500 0.087 0.000 2.066 379 R HA -0.046 4.292 4.340 -0.003 0.000 0.232 379 R C 2.314 178.768 176.300 0.258 0.000 1.131 379 R CA 1.229 57.389 56.100 0.101 0.000 0.955 379 R CB -0.715 29.564 30.300 -0.035 0.000 0.851 379 R HN 0.463 nan 8.270 nan 0.000 0.432 380 Y N 1.938 122.419 120.300 0.302 0.000 2.114 380 Y HA -0.247 4.302 4.550 -0.003 0.000 0.282 380 Y C 1.955 178.020 175.900 0.276 0.000 1.165 380 Y CA 1.653 59.973 58.100 0.367 0.000 1.148 380 Y CB -0.331 38.370 38.460 0.403 0.000 0.972 380 Y HN -0.037 nan 8.280 nan 0.000 0.504 381 L N -0.841 120.500 121.223 0.198 0.000 2.201 381 L HA -0.200 4.139 4.340 -0.003 0.000 0.212 381 L C 2.272 179.382 176.870 0.399 0.000 1.105 381 L CA 1.522 56.476 54.840 0.190 0.000 0.775 381 L CB -0.767 41.273 42.059 -0.031 0.000 0.913 381 L HN 0.252 nan 8.230 nan 0.000 0.440 382 T N 0.254 115.025 114.554 0.362 0.000 2.737 382 T HA -0.136 4.213 4.350 -0.003 0.000 0.265 382 T C 1.914 176.644 174.700 0.050 0.000 1.038 382 T CA 1.346 63.510 62.100 0.106 0.000 1.144 382 T CB -0.198 68.628 68.868 -0.070 0.000 0.866 382 T HN 0.200 nan 8.240 nan 0.000 0.434 383 I N 1.340 121.937 120.570 0.044 0.000 2.208 383 I HA -0.117 4.051 4.170 -0.003 0.000 0.245 383 I C 2.875 179.034 176.117 0.070 0.000 1.097 383 I CA 1.365 62.683 61.300 0.029 0.000 1.363 383 I CB -0.694 37.303 38.000 -0.006 0.000 1.051 383 I HN 0.317 nan 8.210 nan 0.000 0.413 384 G N -0.069 108.774 108.800 0.072 0.000 2.443 384 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.219 384 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.219 384 G C 1.661 176.634 174.900 0.121 0.000 1.131 384 G CA 1.048 46.284 45.100 0.226 0.000 0.775 384 G HN 0.525 nan 8.290 nan 0.000 0.547 385 S N -2.256 113.480 115.700 0.060 0.000 2.526 385 S HA 0.375 4.844 4.470 -0.003 0.000 0.220 385 S C 0.680 175.224 174.600 -0.093 0.000 1.017 385 S CA 0.529 58.623 58.200 -0.178 0.000 0.930 385 S CB 0.611 63.712 63.200 -0.165 0.000 0.856 385 S HN 0.147 nan 8.310 nan 0.000 0.497 386 S N 1.716 117.399 115.700 -0.028 0.000 2.461 386 S HA 0.552 5.020 4.470 -0.003 0.000 0.216 386 S C -0.974 173.636 174.600 0.017 0.000 1.201 386 S CA -0.708 57.490 58.200 -0.003 0.000 1.171 386 S CB 0.283 63.474 63.200 -0.015 0.000 1.169 386 S HN 0.266 nan 8.310 nan 0.000 0.456 387 R N 1.963 122.478 120.500 0.025 0.000 2.782 387 R HA 0.428 4.766 4.340 -0.003 0.000 0.258 387 R C 0.977 177.299 176.300 0.037 0.000 1.055 387 R CA -0.680 55.443 56.100 0.038 0.000 1.065 387 R CB 0.357 30.690 30.300 0.054 0.000 1.172 387 R HN 0.547 nan 8.270 nan 0.000 0.510 388 E N 0.900 121.124 120.200 0.040 0.000 2.171 388 E HA -0.217 4.131 4.350 -0.003 0.000 0.197 388 E C 0.887 177.510 176.600 0.038 0.000 0.997 388 E CA 1.751 58.173 56.400 0.037 0.000 0.810 388 E CB -0.049 29.675 29.700 0.040 0.000 0.738 388 E HN 0.528 nan 8.360 nan 0.000 0.467 389 N N -0.377 118.350 118.700 0.046 0.000 2.235 389 N HA 0.042 4.780 4.740 -0.003 0.000 0.209 389 N C -0.499 175.042 175.510 0.053 0.000 1.122 389 N CA -0.116 52.964 53.050 0.050 0.000 0.845 389 N CB 0.306 38.827 38.487 0.057 0.000 1.004 389 N HN -0.196 nan 8.380 nan 0.000 0.499 390 S N 0.863 116.589 115.700 0.043 0.000 2.560 390 S HA 0.024 4.493 4.470 -0.003 0.000 0.284 390 S C 1.115 175.744 174.600 0.049 0.000 1.327 390 S CA -0.295 57.928 58.200 0.038 0.000 1.055 390 S CB 1.061 64.271 63.200 0.018 0.000 0.868 390 S HN 0.340 nan 8.310 nan 0.000 0.506 391 Q N 0.770 120.612 119.800 0.070 0.000 2.245 391 Q HA 0.159 4.498 4.340 -0.003 0.000 0.201 391 Q C -0.187 175.861 176.000 0.080 0.000 0.955 391 Q CA 0.779 56.648 55.803 0.110 0.000 0.870 391 Q CB 0.038 28.895 28.738 0.197 0.000 0.945 391 Q HN 0.531 nan 8.270 nan 0.000 0.461 392 L N 0.791 122.026 121.223 0.020 0.000 2.371 392 L HA 0.462 4.801 4.340 -0.003 0.000 0.262 392 L C -2.402 174.432 176.870 -0.060 0.000 1.006 392 L CA -2.474 52.337 54.840 -0.049 0.000 0.818 392 L CB 2.188 44.234 42.059 -0.021 0.000 1.354 392 L HN -0.128 nan 8.230 nan 0.000 0.415 393 P HA 0.094 nan 4.420 nan 0.000 0.275 393 P C -0.692 176.678 177.300 0.117 0.000 1.266 393 P CA -0.472 62.604 63.100 -0.039 0.000 0.793 393 P CB 0.503 32.055 31.700 -0.246 0.000 1.074 394 S N 0.283 116.065 115.700 0.137 0.000 2.552 394 S HA 0.074 4.543 4.470 -0.003 0.000 0.289 394 S C 0.484 175.133 174.600 0.081 0.000 1.304 394 S CA -0.415 57.802 58.200 0.028 0.000 1.063 394 S CB -0.827 62.329 63.200 -0.073 0.000 0.848 394 S HN 0.587 nan 8.310 nan 0.000 0.499 395 N N 2.526 121.150 118.700 -0.127 0.000 2.593 395 N HA 0.303 5.041 4.740 -0.003 0.000 0.304 395 N C 0.827 176.195 175.510 -0.237 0.000 1.296 395 N CA -0.959 51.875 53.050 -0.359 0.000 0.950 395 N CB -0.307 37.683 38.487 -0.829 0.000 1.127 395 N HN 0.476 nan 8.380 nan 0.000 0.587 396 L N -1.536 119.521 121.223 -0.278 0.000 2.261 396 L HA -0.122 4.217 4.340 -0.003 0.000 0.216 396 L C 1.106 177.779 176.870 -0.328 0.000 1.114 396 L CA 1.390 56.081 54.840 -0.248 0.000 0.777 396 L CB -0.410 41.516 42.059 -0.223 0.000 0.910 396 L HN 0.585 nan 8.230 nan 0.000 0.440 397 Q N -1.460 118.175 119.800 -0.274 0.000 2.135 397 Q HA 0.230 4.569 4.340 -0.003 0.000 0.222 397 Q C 1.164 177.227 176.000 0.105 0.000 0.808 397 Q CA 0.348 56.003 55.803 -0.247 0.000 1.049 397 Q CB 1.357 30.083 28.738 -0.020 0.000 1.168 397 Q HN 0.440 nan 8.270 nan 0.000 0.483 398 G N 2.661 111.470 108.800 0.015 0.000 3.274 398 G HA2 -0.381 3.577 3.960 -0.003 0.000 0.313 398 G HA3 -0.381 3.577 3.960 -0.003 0.000 0.313 398 G C 0.649 175.364 174.900 -0.309 0.000 1.295 398 G CA 0.615 45.728 45.100 0.022 0.000 1.004 398 G HN 0.531 nan 8.290 nan 0.000 0.614 399 I N -4.442 115.760 120.570 -0.614 0.000 4.442 399 I HA 0.465 4.634 4.170 -0.003 0.000 0.331 399 I C -0.091 175.846 176.117 -0.299 0.000 1.364 399 I CA -0.662 60.270 61.300 -0.613 0.000 1.207 399 I CB 0.399 37.926 38.000 -0.789 0.000 1.298 399 I HN 0.273 nan 8.210 nan 0.000 0.463 400 W N 3.614 125.091 121.300 0.294 0.000 2.349 400 W HA 0.649 5.307 4.660 -0.003 0.000 0.309 400 W C 0.075 176.935 176.519 0.568 0.000 1.083 400 W CA -0.552 57.053 57.345 0.435 0.000 1.224 400 W CB 1.585 31.354 29.460 0.516 0.000 1.256 400 W HN 0.227 nan 8.180 nan 0.000 0.461 401 S N 0.594 116.555 115.700 0.436 0.000 2.565 401 S HA 0.446 4.915 4.470 -0.003 0.000 0.269 401 S C -0.984 173.216 174.600 -0.666 0.000 1.153 401 S CA -0.704 57.445 58.200 -0.086 0.000 0.835 401 S CB 2.537 65.723 63.200 -0.022 0.000 1.122 401 S HN 0.210 nan 8.310 nan 0.000 0.462 402 V N 1.158 120.400 119.914 -1.120 0.000 3.572 402 V HA 0.278 4.396 4.120 -0.003 0.000 0.260 402 V C 0.738 176.562 176.094 -0.449 0.000 1.324 402 V CA 1.448 63.214 62.300 -0.891 0.000 1.068 402 V CB 0.093 31.181 31.823 -1.225 0.000 0.837 402 V HN 1.159 nan 8.190 nan 0.000 0.450 403 T N 0.212 114.525 114.554 -0.402 0.000 2.909 403 T HA 0.789 5.137 4.350 -0.003 0.000 0.289 403 T C -0.286 174.258 174.700 -0.261 0.000 1.005 403 T CA 0.162 62.077 62.100 -0.309 0.000 1.084 403 T CB 1.748 70.406 68.868 -0.349 0.000 0.975 403 T HN 0.734 nan 8.240 nan 0.000 0.509 404 A N 0.907 123.608 122.820 -0.198 0.000 2.574 404 A HA 0.955 5.274 4.320 -0.003 0.000 0.297 404 A C -0.163 177.356 177.584 -0.108 0.000 1.062 404 A CA -0.411 51.535 52.037 -0.152 0.000 0.686 404 A CB 1.639 20.638 19.000 -0.003 0.000 1.285 404 A HN 1.586 nan 8.150 nan 0.000 0.403 405 G N -0.267 108.465 108.800 -0.114 0.000 2.559 405 G HA2 0.489 4.447 3.960 -0.003 0.000 0.291 405 G HA3 0.489 4.447 3.960 -0.003 0.000 0.291 405 G C -0.730 174.115 174.900 -0.092 0.000 1.424 405 G CA -0.222 44.832 45.100 -0.077 0.000 0.786 405 G HN 0.370 nan 8.290 nan 0.000 0.485 406 D N -0.392 119.974 120.400 -0.058 0.000 2.149 406 D HA 0.042 4.681 4.640 -0.003 0.000 0.201 406 D C 0.660 176.911 176.300 -0.082 0.000 0.972 406 D CA 1.043 55.005 54.000 -0.063 0.000 0.835 406 D CB 0.195 40.979 40.800 -0.027 0.000 0.966 406 D HN 0.227 nan 8.370 nan 0.000 0.476 407 N N -0.277 118.379 118.700 -0.073 0.000 2.443 407 N HA 0.532 5.270 4.740 -0.003 0.000 0.293 407 N C -0.540 174.913 175.510 -0.096 0.000 1.159 407 N CA -0.560 52.453 53.050 -0.062 0.000 0.904 407 N CB 1.404 39.881 38.487 -0.016 0.000 1.214 407 N HN -0.054 nan 8.380 nan 0.000 0.513 408 A N 0.501 123.257 122.820 -0.108 0.000 2.507 408 A HA 0.103 4.421 4.320 -0.003 0.000 0.235 408 A C 0.036 177.547 177.584 -0.121 0.000 1.070 408 A CA 0.198 52.107 52.037 -0.213 0.000 0.768 408 A CB -0.437 18.408 19.000 -0.259 0.000 1.011 408 A HN 0.899 nan 8.150 nan 0.000 0.502 409 H N -0.557 118.476 119.070 -0.061 0.000 2.741 409 H HA -0.202 4.352 4.556 -0.003 0.000 0.305 409 H C 0.962 176.224 175.328 -0.110 0.000 1.169 409 H CA 0.993 56.982 56.048 -0.098 0.000 1.144 409 H CB -1.780 27.938 29.762 -0.073 0.000 1.397 409 H HN 1.000 nan 8.280 nan 0.000 0.409 410 G N 0.248 109.005 108.800 -0.073 0.000 3.157 410 G HA2 0.025 3.984 3.960 -0.003 0.000 0.206 410 G HA3 0.025 3.984 3.960 -0.003 0.000 0.206 410 G C 1.186 176.010 174.900 -0.126 0.000 1.903 410 G CA 0.070 45.121 45.100 -0.082 0.000 0.771 410 G HN 0.216 nan 8.290 nan 0.000 0.750 411 N N 0.373 118.986 118.700 -0.145 0.000 2.463 411 N HA 0.097 4.836 4.740 -0.003 0.000 0.181 411 N C -0.046 175.329 175.510 -0.226 0.000 1.078 411 N CA 0.496 53.441 53.050 -0.175 0.000 0.902 411 N CB 0.418 38.807 38.487 -0.162 0.000 0.970 411 N HN 0.175 nan 8.380 nan 0.000 0.451 412 T N 2.916 117.338 114.554 -0.219 0.000 2.792 412 T HA 0.302 4.650 4.350 -0.003 0.000 0.280 412 T C -2.725 171.851 174.700 -0.206 0.000 0.990 412 T CA -1.431 60.538 62.100 -0.218 0.000 0.960 412 T CB 2.711 71.450 68.868 -0.216 0.000 0.939 412 T HN -0.035 nan 8.240 nan 0.000 0.439 413 P HA -0.039 nan 4.420 nan 0.000 0.267 413 P C 0.306 177.511 177.300 -0.158 0.000 1.209 413 P CA 0.047 62.923 63.100 -0.373 0.000 0.763 413 P CB 0.277 31.775 31.700 -0.337 0.000 0.816 414 W N 2.561 123.796 121.300 -0.109 0.000 4.973 414 W HA -0.198 4.461 4.660 -0.003 0.000 0.350 414 W C 1.169 177.602 176.519 -0.142 0.000 1.280 414 W CA 1.108 58.384 57.345 -0.116 0.000 0.854 414 W CB -2.756 26.555 29.460 -0.249 0.000 2.367 414 W HN 0.831 nan 8.180 nan 0.000 1.511 415 G N -0.400 108.354 108.800 -0.077 0.000 2.186 415 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.266 415 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.266 415 G C 0.676 175.457 174.900 -0.198 0.000 0.982 415 G CA 1.451 46.447 45.100 -0.173 0.000 0.670 415 G HN 1.448 nan 8.290 nan 0.000 0.533 416 S N -0.213 115.435 115.700 -0.088 0.000 3.491 416 S HA -0.220 4.248 4.470 -0.003 0.000 0.371 416 S C 0.878 175.327 174.600 -0.252 0.000 0.980 416 S CA 2.071 60.196 58.200 -0.124 0.000 1.204 416 S CB -1.506 61.659 63.200 -0.059 0.000 0.915 416 S HN 1.733 nan 8.310 nan 0.000 0.482 417 D N 0.045 120.378 120.400 -0.111 0.000 2.496 417 D HA 0.417 5.056 4.640 -0.003 0.000 0.283 417 D C -0.000 176.122 176.300 -0.296 0.000 1.214 417 D CA -0.655 53.317 54.000 -0.046 0.000 1.089 417 D CB -0.097 40.857 40.800 0.257 0.000 1.141 417 D HN 0.311 nan 8.370 nan 0.000 0.580 418 F N -0.385 119.677 119.950 0.186 0.000 2.313 418 F HA 0.215 4.740 4.527 -0.003 0.000 0.369 418 F C 0.544 176.389 175.800 0.075 0.000 1.109 418 F CA -0.635 57.378 58.000 0.022 0.000 1.132 418 F CB 0.581 39.500 39.000 -0.134 0.000 1.291 418 F HN 0.133 nan 8.300 nan 0.000 0.496 419 H N 5.299 124.396 119.070 0.044 0.000 2.685 419 H HA 0.250 4.804 4.556 -0.003 0.000 0.286 419 H C 0.096 175.381 175.328 -0.072 0.000 1.102 419 H CA -0.111 55.927 56.048 -0.017 0.000 1.254 419 H CB 1.346 31.020 29.762 -0.146 0.000 1.397 419 H HN 0.712 nan 8.280 nan 0.000 0.473 420 M N 3.787 123.372 119.600 -0.025 0.000 2.637 420 M HA 0.044 4.523 4.480 -0.003 0.000 0.286 420 M C 0.078 176.315 176.300 -0.106 0.000 1.246 420 M CA 0.085 55.347 55.300 -0.063 0.000 0.978 420 M CB 0.032 32.644 32.600 0.021 0.000 1.417 420 M HN 0.237 nan 8.290 nan 0.000 0.487 421 N N -0.268 118.370 118.700 -0.103 0.000 2.497 421 N HA 0.238 4.977 4.740 -0.003 0.000 0.284 421 N C -0.055 175.369 175.510 -0.143 0.000 1.459 421 N CA -0.015 53.042 53.050 0.012 0.000 0.899 421 N CB 0.954 39.543 38.487 0.170 0.000 1.316 421 N HN 0.219 nan 8.380 nan 0.000 0.500 422 V N -1.350 118.225 119.914 -0.565 0.000 3.274 422 V HA -0.115 4.004 4.120 -0.003 0.000 0.323 422 V C 0.642 176.402 176.094 -0.557 0.000 2.208 422 V CA 0.473 62.388 62.300 -0.641 0.000 2.270 422 V CB -1.071 30.625 31.823 -0.211 0.000 0.961 422 V HN 0.306 nan 8.190 nan 0.000 0.699 423 N N 0.492 118.949 118.700 -0.405 0.000 2.109 423 N HA -0.057 4.681 4.740 -0.003 0.000 0.188 423 N C 1.537 176.872 175.510 -0.293 0.000 1.034 423 N CA 1.896 54.760 53.050 -0.310 0.000 0.846 423 N CB -0.015 38.327 38.487 -0.243 0.000 1.010 423 N HN 0.506 nan 8.380 nan 0.000 0.425 424 L N 2.184 123.271 121.223 -0.226 0.000 2.083 424 L HA -0.145 4.193 4.340 -0.003 0.000 0.209 424 L C 2.148 178.888 176.870 -0.217 0.000 1.083 424 L CA 1.579 56.336 54.840 -0.138 0.000 0.752 424 L CB -0.602 41.422 42.059 -0.057 0.000 0.899 424 L HN 0.018 nan 8.230 nan 0.000 0.433 425 Q N -1.078 118.455 119.800 -0.443 0.000 2.061 425 Q HA -0.269 4.069 4.340 -0.003 0.000 0.204 425 Q C 2.322 177.773 176.000 -0.915 0.000 0.984 425 Q CA 2.558 58.033 55.803 -0.546 0.000 0.846 425 Q CB -0.487 27.752 28.738 -0.831 0.000 0.902 425 Q HN 0.570 nan 8.270 nan 0.000 0.421 426 M N 0.230 119.107 119.600 -1.205 0.000 2.159 426 M HA -0.201 4.278 4.480 -0.003 0.000 0.263 426 M C 0.901 176.874 176.300 -0.545 0.000 1.063 426 M CA 1.370 55.839 55.300 -1.384 0.000 1.110 426 M CB -0.009 32.054 32.600 -0.895 0.000 1.374 426 M HN 0.167 nan 8.290 nan 0.000 0.411 427 N N -0.212 118.255 118.700 -0.388 0.000 2.258 427 N HA -0.170 4.568 4.740 -0.003 0.000 0.187 427 N C 0.203 175.103 175.510 -1.015 0.000 1.012 427 N CA 1.346 54.054 53.050 -0.571 0.000 0.870 427 N CB -0.313 37.868 38.487 -0.509 0.000 0.977 427 N HN 0.523 nan 8.380 nan 0.000 0.434 428 Y N -1.873 118.208 120.300 -0.365 0.000 2.720 428 Y HA 0.187 4.735 4.550 -0.003 0.000 0.277 428 Y C 0.583 176.515 175.900 0.052 0.000 1.144 428 Y CA -0.866 57.090 58.100 -0.240 0.000 1.221 428 Y CB -0.057 38.288 38.460 -0.192 0.000 1.163 428 Y HN 0.020 nan 8.280 nan 0.000 0.537 429 W N 1.107 122.438 121.300 0.051 0.000 2.494 429 W HA 0.094 4.752 4.660 -0.003 0.000 0.286 429 W C -0.731 175.857 176.519 0.115 0.000 1.218 429 W CA 0.317 57.770 57.345 0.180 0.000 1.313 429 W CB -1.677 27.978 29.460 0.324 0.000 1.105 429 W HN 0.093 nan 8.180 nan 0.000 0.561 430 P HA 0.076 nan 4.420 nan 0.000 0.255 430 P C 1.148 178.411 177.300 -0.063 0.000 1.248 430 P CA 1.018 64.191 63.100 0.120 0.000 0.807 430 P CB 0.080 31.851 31.700 0.119 0.000 1.150 431 T N -0.733 113.683 114.554 -0.229 0.000 2.788 431 T HA -0.152 4.197 4.350 -0.003 0.000 0.268 431 T C 1.375 175.788 174.700 -0.479 0.000 1.044 431 T CA 1.677 63.519 62.100 -0.430 0.000 1.139 431 T CB -0.742 67.769 68.868 -0.596 0.000 0.867 431 T HN 0.145 nan 8.240 nan 0.000 0.454 432 Y N 1.588 121.744 120.300 -0.241 0.000 2.262 432 Y HA 0.075 4.624 4.550 -0.002 0.000 0.295 432 Y C 3.027 178.640 175.900 -0.478 0.000 1.121 432 Y CA 0.577 58.366 58.100 -0.517 0.000 1.144 432 Y CB -0.880 36.887 38.460 -1.154 0.000 1.043 432 Y HN 0.227 nan 8.280 nan 0.000 0.528 433 S N 0.420 115.972 115.700 -0.246 0.000 2.399 433 S HA -0.087 4.382 4.470 -0.003 0.000 0.231 433 S C 1.812 176.476 174.600 0.107 0.000 1.022 433 S CA 0.794 59.021 58.200 0.045 0.000 0.983 433 S CB -0.659 62.657 63.200 0.193 0.000 0.803 433 S HN 0.304 nan 8.310 nan 0.000 0.480 434 A N 1.167 124.024 122.820 0.063 0.000 2.411 434 A HA 0.389 4.707 4.320 -0.003 0.000 0.251 434 A C 0.728 178.333 177.584 0.034 0.000 1.317 434 A CA -0.115 51.973 52.037 0.085 0.000 0.904 434 A CB -0.796 18.236 19.000 0.053 0.000 0.993 434 A HN 0.470 nan 8.150 nan 0.000 0.504 435 N N -0.842 117.875 118.700 0.028 0.000 2.756 435 N HA -0.146 4.592 4.740 -0.003 0.000 0.248 435 N C -0.039 175.471 175.510 0.000 0.000 1.062 435 N CA 1.171 54.241 53.050 0.034 0.000 0.696 435 N CB -1.412 37.108 38.487 0.055 0.000 0.946 435 N HN 0.624 nan 8.380 nan 0.000 0.548 436 M N -1.343 118.235 119.600 -0.038 0.000 3.002 436 M HA 0.254 4.732 4.480 -0.003 0.000 0.398 436 M C 1.667 177.925 176.300 -0.070 0.000 1.366 436 M CA 0.057 55.324 55.300 -0.055 0.000 0.824 436 M CB 0.607 33.155 32.600 -0.086 0.000 1.414 436 M HN 0.173 nan 8.290 nan 0.000 0.501 437 G N 1.512 110.311 108.800 -0.002 0.000 2.442 437 G HA2 -0.231 3.727 3.960 -0.003 0.000 0.219 437 G HA3 -0.231 3.727 3.960 -0.003 0.000 0.219 437 G C 1.398 176.347 174.900 0.082 0.000 1.141 437 G CA 1.234 46.389 45.100 0.090 0.000 0.763 437 G HN 0.649 nan 8.290 nan 0.000 0.554 438 E N 0.961 121.194 120.200 0.056 0.000 2.265 438 E HA -0.098 4.251 4.350 -0.003 0.000 0.196 438 E C 2.198 178.818 176.600 0.034 0.000 0.996 438 E CA 0.593 57.024 56.400 0.052 0.000 0.832 438 E CB -0.520 29.205 29.700 0.043 0.000 0.756 438 E HN 0.499 nan 8.360 nan 0.000 0.491 439 L N 0.447 121.673 121.223 0.005 0.000 2.552 439 L HA 0.134 4.472 4.340 -0.003 0.000 0.227 439 L C 2.358 179.258 176.870 0.050 0.000 1.146 439 L CA 0.501 55.346 54.840 0.009 0.000 0.858 439 L CB -0.326 41.718 42.059 -0.026 0.000 0.969 439 L HN 0.121 nan 8.230 nan 0.000 0.451 440 A N -0.007 122.820 122.820 0.012 0.000 2.167 440 A HA -0.136 4.182 4.320 -0.003 0.000 0.214 440 A C 2.110 179.658 177.584 -0.060 0.000 1.151 440 A CA 0.833 52.856 52.037 -0.023 0.000 0.735 440 A CB -0.140 18.857 19.000 -0.005 0.000 0.802 440 A HN 0.326 nan 8.150 nan 0.000 0.467 441 E N 1.360 121.560 120.200 -0.001 0.000 2.070 441 E HA -0.167 4.182 4.350 -0.003 0.000 0.197 441 E C -0.616 175.958 176.600 -0.043 0.000 1.004 441 E CA 2.374 58.772 56.400 -0.004 0.000 0.805 441 E CB -0.937 28.774 29.700 0.019 0.000 0.744 441 E HN 0.472 nan 8.360 nan 0.000 0.451 442 P HA -0.139 nan 4.420 nan 0.000 0.220 442 P C 1.625 178.838 177.300 -0.146 0.000 1.148 442 P CA 0.902 63.964 63.100 -0.063 0.000 0.803 442 P CB -0.057 31.624 31.700 -0.033 0.000 0.782 443 L N -0.236 120.794 121.223 -0.322 0.000 2.056 443 L HA -0.087 4.251 4.340 -0.003 0.000 0.207 443 L C 2.495 179.256 176.870 -0.182 0.000 1.078 443 L CA 1.587 56.167 54.840 -0.434 0.000 0.749 443 L CB -1.150 40.324 42.059 -0.974 0.000 0.901 443 L HN -0.208 nan 8.230 nan 0.000 0.433 444 I N -0.520 119.973 120.570 -0.129 0.000 2.163 444 I HA -0.305 3.863 4.170 -0.003 0.000 0.243 444 I C 2.520 178.607 176.117 -0.051 0.000 1.085 444 I CA 1.784 63.052 61.300 -0.053 0.000 1.347 444 I CB -0.528 37.464 38.000 -0.012 0.000 1.044 444 I HN 0.423 nan 8.210 nan 0.000 0.408 445 E N 0.483 120.656 120.200 -0.044 0.000 2.110 445 E HA -0.282 4.066 4.350 -0.003 0.000 0.193 445 E C 2.260 178.827 176.600 -0.055 0.000 0.988 445 E CA 1.233 57.608 56.400 -0.043 0.000 0.804 445 E CB -0.150 29.539 29.700 -0.019 0.000 0.745 445 E HN 0.500 nan 8.360 nan 0.000 0.458 446 Y N 0.477 120.667 120.300 -0.183 0.000 2.181 446 Y HA -0.215 4.333 4.550 -0.003 0.000 0.288 446 Y C 2.030 177.811 175.900 -0.198 0.000 1.146 446 Y CA 1.558 59.518 58.100 -0.234 0.000 1.164 446 Y CB -0.167 38.078 38.460 -0.359 0.000 0.982 446 Y HN -0.088 nan 8.280 nan 0.000 0.515 447 V N 0.375 120.228 119.914 -0.102 0.000 2.358 447 V HA -0.259 3.859 4.120 -0.003 0.000 0.246 447 V C 2.070 178.025 176.094 -0.231 0.000 1.047 447 V CA 2.142 64.361 62.300 -0.135 0.000 1.035 447 V CB -0.612 31.198 31.823 -0.022 0.000 0.658 447 V HN 0.388 nan 8.190 nan 0.000 0.452 448 E N 0.603 120.682 120.200 -0.201 0.000 2.118 448 E HA -0.198 4.150 4.350 -0.003 0.000 0.195 448 E C 2.276 178.702 176.600 -0.289 0.000 0.992 448 E CA 1.321 57.574 56.400 -0.245 0.000 0.804 448 E CB -0.483 29.121 29.700 -0.159 0.000 0.741 448 E HN 0.653 nan 8.360 nan 0.000 0.458 449 G N 0.746 109.380 108.800 -0.277 0.000 2.509 449 G HA2 -0.187 3.772 3.960 -0.003 0.000 0.218 449 G HA3 -0.187 3.772 3.960 -0.003 0.000 0.218 449 G C 1.421 176.131 174.900 -0.317 0.000 1.124 449 G CA 0.236 45.173 45.100 -0.272 0.000 0.776 449 G HN 0.118 nan 8.290 nan 0.000 0.547 450 L N 0.357 121.345 121.223 -0.390 0.000 2.492 450 L HA 0.044 4.382 4.340 -0.003 0.000 0.223 450 L C 2.645 179.329 176.870 -0.310 0.000 1.132 450 L CA -0.211 54.442 54.840 -0.311 0.000 0.850 450 L CB -0.060 41.859 42.059 -0.234 0.000 0.966 450 L HN 0.057 nan 8.230 nan 0.000 0.454 451 V N 0.131 119.760 119.914 -0.475 0.000 2.270 451 V HA -0.269 3.849 4.120 -0.003 0.000 0.245 451 V C 2.464 178.333 176.094 -0.376 0.000 1.043 451 V CA 1.739 63.681 62.300 -0.597 0.000 1.014 451 V CB -0.436 30.951 31.823 -0.727 0.000 0.645 451 V HN 0.410 nan 8.190 nan 0.000 0.447 452 K N 0.316 120.480 120.400 -0.393 0.000 1.991 452 K HA -0.132 4.186 4.320 -0.003 0.000 0.212 452 K C 0.043 176.210 176.600 -0.722 0.000 1.049 452 K CA 1.983 57.954 56.287 -0.527 0.000 0.932 452 K CB -1.467 30.697 32.500 -0.560 0.000 0.717 452 K HN 0.461 nan 8.250 nan 0.000 0.441 453 P HA -0.131 nan 4.420 nan 0.000 0.218 453 P C 1.380 178.549 177.300 -0.218 0.000 1.149 453 P CA 1.689 64.534 63.100 -0.424 0.000 0.817 453 P CB -0.178 31.482 31.700 -0.067 0.000 0.785 454 G N 0.227 108.915 108.800 -0.187 0.000 2.443 454 G HA2 -0.200 3.759 3.960 -0.003 0.000 0.219 454 G HA3 -0.200 3.759 3.960 -0.003 0.000 0.219 454 G C 1.789 176.600 174.900 -0.148 0.000 1.131 454 G CA 0.169 45.200 45.100 -0.115 0.000 0.775 454 G HN 0.237 nan 8.290 nan 0.000 0.547 455 R N -0.298 120.098 120.500 -0.173 0.000 2.115 455 R HA 0.010 4.348 4.340 -0.003 0.000 0.230 455 R C 2.591 178.806 176.300 -0.142 0.000 1.111 455 R CA 0.879 56.875 56.100 -0.173 0.000 0.976 455 R CB -0.262 29.942 30.300 -0.160 0.000 0.870 455 R HN 0.314 nan 8.270 nan 0.000 0.445 456 V N 0.249 120.089 119.914 -0.124 0.000 2.307 456 V HA -0.237 3.881 4.120 -0.003 0.000 0.245 456 V C 2.083 178.160 176.094 -0.028 0.000 1.045 456 V CA 2.223 64.486 62.300 -0.063 0.000 1.024 456 V CB -0.634 31.173 31.823 -0.027 0.000 0.651 456 V HN 0.364 nan 8.190 nan 0.000 0.449 457 T N 0.642 115.191 114.554 -0.010 0.000 2.746 457 T HA -0.169 4.179 4.350 -0.003 0.000 0.267 457 T C 2.085 176.861 174.700 0.127 0.000 1.039 457 T CA 1.676 63.846 62.100 0.117 0.000 1.142 457 T CB -0.482 68.422 68.868 0.060 0.000 0.866 457 T HN 0.568 nan 8.240 nan 0.000 0.444 458 A N 1.538 124.314 122.820 -0.074 0.000 1.933 458 A HA -0.131 4.187 4.320 -0.003 0.000 0.218 458 A C 2.232 179.788 177.584 -0.046 0.000 1.175 458 A CA 1.953 53.900 52.037 -0.151 0.000 0.628 458 A CB -0.532 18.129 19.000 -0.565 0.000 0.814 458 A HN 0.498 nan 8.150 nan 0.000 0.444 459 K N -0.344 120.012 120.400 -0.073 0.000 2.025 459 K HA -0.084 4.235 4.320 -0.003 0.000 0.207 459 K C 1.830 178.406 176.600 -0.041 0.000 1.049 459 K CA 1.656 57.907 56.287 -0.061 0.000 0.933 459 K CB -0.269 32.195 32.500 -0.061 0.000 0.714 459 K HN 0.218 nan 8.250 nan 0.000 0.438 460 V N 0.378 120.257 119.914 -0.059 0.000 2.358 460 V HA -0.220 3.899 4.120 -0.003 0.000 0.246 460 V C 1.732 177.664 176.094 -0.269 0.000 1.047 460 V CA 1.676 63.848 62.300 -0.212 0.000 1.035 460 V CB -0.478 31.138 31.823 -0.345 0.000 0.658 460 V HN 0.332 nan 8.190 nan 0.000 0.452 461 Y N -0.918 119.436 120.300 0.091 0.000 2.509 461 Y HA 0.469 5.017 4.550 -0.003 0.000 0.270 461 Y C 1.959 177.976 175.900 0.195 0.000 1.103 461 Y CA 0.719 58.928 58.100 0.182 0.000 1.278 461 Y CB 0.143 38.805 38.460 0.337 0.000 1.087 461 Y HN 0.184 nan 8.280 nan 0.000 0.542 462 A N -1.066 121.917 122.820 0.271 0.000 2.551 462 A HA 0.523 4.841 4.320 -0.003 0.000 0.252 462 A C 1.691 179.345 177.584 0.117 0.000 1.199 462 A CA 0.430 52.597 52.037 0.217 0.000 0.972 462 A CB -0.384 18.796 19.000 0.299 0.000 1.153 462 A HN 0.409 nan 8.150 nan 0.000 0.559 463 G N -0.741 108.092 108.800 0.055 0.000 2.179 463 G HA2 0.070 4.028 3.960 -0.003 0.000 0.257 463 G HA3 0.070 4.028 3.960 -0.003 0.000 0.257 463 G C 0.389 175.256 174.900 -0.055 0.000 1.010 463 G CA 0.365 45.486 45.100 0.035 0.000 0.736 463 G HN 1.731 nan 8.290 nan 0.000 0.513 464 A N 0.273 122.919 122.820 -0.290 0.000 2.478 464 A HA 0.668 4.986 4.320 -0.003 0.000 0.327 464 A C 0.230 177.677 177.584 -0.228 0.000 1.431 464 A CA 0.243 51.904 52.037 -0.627 0.000 1.014 464 A CB 0.347 18.766 19.000 -0.967 0.000 1.143 464 A HN 0.603 nan 8.150 nan 0.000 0.532 465 E N 2.400 122.554 120.200 -0.076 0.000 2.146 465 E HA 0.348 4.697 4.350 -0.003 0.000 0.282 465 E C -0.676 175.923 176.600 -0.001 0.000 0.989 465 E CA -0.315 56.066 56.400 -0.032 0.000 0.799 465 E CB 0.743 30.443 29.700 -0.000 0.000 1.088 465 E HN 0.444 nan 8.360 nan 0.000 0.397 466 T N 4.007 118.547 114.554 -0.024 0.000 2.749 466 T HA 0.156 4.505 4.350 -0.003 0.000 0.295 466 T C -0.229 174.468 174.700 -0.006 0.000 0.936 466 T CA -0.385 61.708 62.100 -0.011 0.000 1.060 466 T CB 1.086 69.933 68.868 -0.036 0.000 0.904 466 T HN 0.415 nan 8.240 nan 0.000 0.500 467 T N 4.380 118.939 114.554 0.007 0.000 2.907 467 T HA 0.145 4.494 4.350 -0.003 0.000 0.298 467 T C 0.754 175.454 174.700 -0.001 0.000 1.017 467 T CA -0.505 61.599 62.100 0.007 0.000 1.118 467 T CB -0.022 68.854 68.868 0.014 0.000 0.948 467 T HN 0.722 nan 8.240 nan 0.000 0.531 468 N N 2.000 120.700 118.700 0.001 0.000 2.669 468 N HA -0.136 4.603 4.740 -0.003 0.000 0.266 468 N C -2.061 173.444 175.510 -0.009 0.000 1.024 468 N CA 0.056 53.105 53.050 -0.001 0.000 0.766 468 N CB -0.285 38.201 38.487 -0.002 0.000 0.898 468 N HN 0.497 nan 8.380 nan 0.000 0.548 469 P HA -0.150 nan 4.420 nan 0.000 0.226 469 P C 1.025 178.307 177.300 -0.031 0.000 1.153 469 P CA 1.151 64.233 63.100 -0.031 0.000 0.777 469 P CB 0.392 32.070 31.700 -0.037 0.000 0.794 470 E N 0.876 121.075 120.200 -0.002 0.000 2.076 470 E HA -0.099 4.249 4.350 -0.003 0.000 0.190 470 E C 1.869 178.460 176.600 -0.015 0.000 0.979 470 E CA 1.983 58.387 56.400 0.006 0.000 0.807 470 E CB -1.012 28.704 29.700 0.027 0.000 0.761 470 E HN 0.238 nan 8.360 nan 0.000 0.454 471 T N -2.952 111.593 114.554 -0.015 0.000 3.057 471 T HA 0.118 4.467 4.350 -0.003 0.000 0.254 471 T C 0.741 175.426 174.700 -0.025 0.000 1.094 471 T CA 0.170 62.258 62.100 -0.019 0.000 1.088 471 T CB -0.334 68.527 68.868 -0.012 0.000 0.934 471 T HN -0.093 nan 8.240 nan 0.000 0.497 472 T N 4.988 119.524 114.554 -0.029 0.000 2.751 472 T HA 0.314 4.662 4.350 -0.003 0.000 0.290 472 T C -2.410 172.262 174.700 -0.046 0.000 0.919 472 T CA -0.820 61.261 62.100 -0.033 0.000 1.136 472 T CB 0.624 69.472 68.868 -0.033 0.000 0.875 472 T HN 0.260 nan 8.240 nan 0.000 0.532 473 P HA 0.145 nan 4.420 nan 0.000 0.269 473 P C 0.288 177.549 177.300 -0.064 0.000 1.215 473 P CA -0.490 62.581 63.100 -0.048 0.000 0.780 473 P CB 0.343 32.025 31.700 -0.029 0.000 0.898 474 I N 1.350 121.867 120.570 -0.089 0.000 2.826 474 I HA -0.007 4.162 4.170 -0.003 0.000 0.295 474 I C 1.710 177.788 176.117 -0.065 0.000 1.213 474 I CA 1.674 62.905 61.300 -0.114 0.000 1.436 474 I CB -0.702 37.205 38.000 -0.155 0.000 1.348 474 I HN 0.779 nan 8.210 nan 0.000 0.570 475 G N 4.434 113.208 108.800 -0.043 0.000 2.284 475 G HA2 -0.195 3.764 3.960 -0.003 0.000 0.216 475 G HA3 -0.195 3.764 3.960 -0.003 0.000 0.216 475 G C 0.699 175.582 174.900 -0.029 0.000 1.009 475 G CA -0.227 44.852 45.100 -0.035 0.000 0.625 475 G HN 0.568 nan 8.290 nan 0.000 0.501 476 E N 1.036 121.214 120.200 -0.037 0.000 2.498 476 E HA 0.306 4.654 4.350 -0.003 0.000 0.203 476 E C 1.470 178.030 176.600 -0.067 0.000 1.013 476 E CA 0.601 56.971 56.400 -0.050 0.000 0.927 476 E CB 0.633 30.314 29.700 -0.031 0.000 1.012 476 E HN 0.622 nan 8.360 nan 0.000 0.482 477 G N 0.805 109.575 108.800 -0.049 0.000 2.543 477 G HA2 0.137 4.095 3.960 -0.003 0.000 0.290 477 G HA3 0.137 4.095 3.960 -0.003 0.000 0.290 477 G C 0.620 175.505 174.900 -0.024 0.000 1.310 477 G CA -0.323 44.756 45.100 -0.035 0.000 1.025 477 G HN -0.153 nan 8.290 nan 0.000 0.502 478 E N -0.499 119.726 120.200 0.042 0.000 2.442 478 E HA 0.225 4.573 4.350 -0.003 0.000 0.195 478 E C 1.081 177.841 176.600 0.267 0.000 1.030 478 E CA 0.878 57.409 56.400 0.218 0.000 0.869 478 E CB 0.522 30.338 29.700 0.193 0.000 0.857 478 E HN 0.836 nan 8.360 nan 0.000 0.505 479 G N 0.776 109.595 108.800 0.033 0.000 2.316 479 G HA2 0.114 4.072 3.960 -0.003 0.000 0.468 479 G HA3 0.114 4.072 3.960 -0.003 0.000 0.468 479 G C -1.581 173.030 174.900 -0.482 0.000 1.523 479 G CA -0.756 44.192 45.100 -0.253 0.000 0.972 479 G HN 0.113 nan 8.290 nan 0.000 0.667 480 Y N -1.037 118.862 120.300 -0.667 0.000 2.425 480 Y HA 0.864 5.412 4.550 -0.002 0.000 0.344 480 Y C -0.113 175.424 175.900 -0.604 0.000 0.969 480 Y CA -1.677 56.095 58.100 -0.546 0.000 1.052 480 Y CB 2.086 40.354 38.460 -0.320 0.000 1.215 480 Y HN 0.743 nan 8.280 nan 0.000 0.451 481 M N 4.001 123.333 119.600 -0.447 0.000 2.393 481 M HA 0.904 5.383 4.480 -0.003 0.000 0.316 481 M C -1.638 174.515 176.300 -0.244 0.000 1.087 481 M CA -0.568 54.510 55.300 -0.371 0.000 0.937 481 M CB 1.905 34.338 32.600 -0.278 0.000 1.668 481 M HN 1.060 nan 8.290 nan 0.000 0.438 482 A N 2.602 125.225 122.820 -0.329 0.000 2.593 482 A HA 0.801 5.119 4.320 -0.003 0.000 0.290 482 A C -1.833 175.442 177.584 -0.515 0.000 1.126 482 A CA -0.583 51.305 52.037 -0.249 0.000 0.695 482 A CB 1.386 20.336 19.000 -0.084 0.000 1.290 482 A HN 1.011 nan 8.150 nan 0.000 0.414 483 H N -1.187 117.796 119.070 -0.144 0.000 4.003 483 H HA 0.557 5.111 4.556 -0.003 0.000 0.368 483 H C 1.234 176.533 175.328 -0.048 0.000 1.587 483 H CA 0.582 56.532 56.048 -0.164 0.000 1.281 483 H CB 0.289 29.895 29.762 -0.261 0.000 1.104 483 H HN 0.530 nan 8.280 nan 0.000 0.776 484 T N 0.167 114.795 114.554 0.124 0.000 2.706 484 T HA -0.007 4.341 4.350 -0.003 0.000 0.255 484 T C -0.045 174.632 174.700 -0.038 0.000 1.048 484 T CA 0.915 63.034 62.100 0.031 0.000 1.153 484 T CB -0.174 68.720 68.868 0.043 0.000 0.865 484 T HN 0.330 nan 8.240 nan 0.000 0.414 485 E N 2.526 122.762 120.200 0.060 0.000 2.129 485 E HA 0.237 4.586 4.350 -0.003 0.000 0.283 485 E C -0.446 176.370 176.600 0.360 0.000 1.080 485 E CA -0.116 56.359 56.400 0.124 0.000 0.867 485 E CB 0.415 30.316 29.700 0.336 0.000 1.056 485 E HN 0.306 nan 8.360 nan 0.000 0.404 486 N N 1.480 120.381 118.700 0.336 0.000 2.469 486 N HA 0.398 5.136 4.740 -0.003 0.000 0.286 486 N C -0.356 175.419 175.510 0.442 0.000 1.275 486 N CA -0.321 52.984 53.050 0.426 0.000 0.790 486 N CB 2.265 40.985 38.487 0.389 0.000 1.446 486 N HN 0.492 nan 8.380 nan 0.000 0.501 487 T N -3.800 110.951 114.554 0.327 0.000 2.654 487 T HA 0.546 4.894 4.350 -0.003 0.000 0.289 487 T C 0.607 175.069 174.700 -0.396 0.000 1.062 487 T CA -0.451 61.567 62.100 -0.137 0.000 1.041 487 T CB 0.825 69.612 68.868 -0.134 0.000 1.417 487 T HN 0.322 nan 8.240 nan 0.000 0.510 488 A N -0.653 121.394 122.820 -1.287 0.000 2.209 488 A HA 0.251 4.570 4.320 -0.003 0.000 0.212 488 A C 0.477 177.544 177.584 -0.862 0.000 1.158 488 A CA 0.579 51.928 52.037 -1.147 0.000 0.742 488 A CB -0.905 16.958 19.000 -1.895 0.000 0.790 488 A HN 0.735 nan 8.150 nan 0.000 0.472 489 Y N -0.949 119.112 120.300 -0.398 0.000 2.698 489 Y HA 0.430 4.979 4.550 -0.003 0.000 0.261 489 Y C 1.329 177.059 175.900 -0.284 0.000 1.104 489 Y CA -0.798 56.855 58.100 -0.745 0.000 1.145 489 Y CB -0.097 38.043 38.460 -0.532 0.000 1.191 489 Y HN 0.300 nan 8.280 nan 0.000 0.564 490 G N 0.261 109.089 108.800 0.047 0.000 2.295 490 G HA2 -0.316 3.643 3.960 -0.003 0.000 0.287 490 G HA3 -0.316 3.643 3.960 -0.003 0.000 0.287 490 G C 0.106 175.206 174.900 0.333 0.000 1.055 490 G CA -0.024 45.211 45.100 0.225 0.000 0.922 490 G HN 0.656 nan 8.290 nan 0.000 0.503 491 W N 2.054 123.445 121.300 0.151 0.000 1.606 491 W HA 0.353 5.012 4.660 -0.002 0.000 0.455 491 W C 1.132 177.720 176.519 0.114 0.000 0.711 491 W CA 0.290 57.737 57.345 0.171 0.000 1.876 491 W CB -0.196 29.398 29.460 0.224 0.000 1.776 491 W HN 0.394 nan 8.180 nan 0.000 0.229 492 T N 0.216 114.771 114.554 0.003 0.000 3.060 492 T HA 0.272 4.620 4.350 -0.003 0.000 0.249 492 T C 1.040 175.691 174.700 -0.082 0.000 1.079 492 T CA 0.006 62.093 62.100 -0.022 0.000 1.013 492 T CB 0.225 69.076 68.868 -0.028 0.000 0.975 492 T HN 0.240 nan 8.240 nan 0.000 0.518 493 A N 3.516 126.161 122.820 -0.291 0.000 2.448 493 A HA 0.513 4.831 4.320 -0.003 0.000 0.239 493 A C -1.992 175.342 177.584 -0.417 0.000 1.080 493 A CA -1.245 50.581 52.037 -0.350 0.000 0.779 493 A CB -0.152 18.562 19.000 -0.477 0.000 1.026 493 A HN 0.328 nan 8.150 nan 0.000 0.499 494 P HA 0.243 nan 4.420 nan 0.000 0.274 494 P C 0.449 177.540 177.300 -0.348 0.000 1.246 494 P CA 0.190 62.811 63.100 -0.799 0.000 0.795 494 P CB 0.510 31.622 31.700 -0.981 0.000 1.006 495 G N 0.528 109.202 108.800 -0.210 0.000 2.621 495 G HA2 0.025 3.983 3.960 -0.003 0.000 0.271 495 G HA3 0.025 3.983 3.960 -0.003 0.000 0.271 495 G C 0.733 175.493 174.900 -0.234 0.000 1.236 495 G CA -0.332 44.730 45.100 -0.064 0.000 0.958 495 G HN 0.498 nan 8.290 nan 0.000 0.512 496 Q N -1.226 118.503 119.800 -0.118 0.000 2.291 496 Q HA 0.019 4.358 4.340 -0.003 0.000 0.205 496 Q C 0.850 176.724 176.000 -0.210 0.000 0.970 496 Q CA 0.734 56.513 55.803 -0.041 0.000 0.876 496 Q CB 0.186 29.045 28.738 0.201 0.000 0.935 496 Q HN 0.278 nan 8.270 nan 0.000 0.455 497 S N -1.191 114.112 115.700 -0.662 0.000 2.557 497 S HA 0.232 4.701 4.470 -0.003 0.000 0.291 497 S C -0.038 174.138 174.600 -0.706 0.000 1.116 497 S CA -0.763 57.098 58.200 -0.565 0.000 0.992 497 S CB 0.722 63.681 63.200 -0.403 0.000 1.028 497 S HN 0.271 nan 8.310 nan 0.000 0.484 498 F N 4.542 124.226 119.950 -0.443 0.000 2.095 498 F HA -0.141 4.384 4.527 -0.003 0.000 0.298 498 F C 2.594 178.224 175.800 -0.284 0.000 1.104 498 F CA 2.630 60.442 58.000 -0.313 0.000 1.232 498 F CB -0.441 38.395 39.000 -0.272 0.000 0.987 498 F HN 0.742 nan 8.300 nan 0.000 0.475 499 S N 0.993 116.580 115.700 -0.190 0.000 2.370 499 S HA -0.271 4.198 4.470 -0.003 0.000 0.226 499 S C 1.962 176.582 174.600 0.033 0.000 1.033 499 S CA 1.547 59.601 58.200 -0.243 0.000 1.011 499 S CB -1.479 61.609 63.200 -0.187 0.000 0.852 499 S HN 0.759 nan 8.310 nan 0.000 0.457 500 W N 0.737 122.088 121.300 0.086 0.000 3.013 500 W HA 0.550 5.209 4.660 -0.002 0.000 0.280 500 W C 1.707 178.283 176.519 0.094 0.000 1.249 500 W CA 0.102 57.528 57.345 0.136 0.000 1.577 500 W CB -0.517 29.054 29.460 0.185 0.000 1.057 500 W HN 0.398 nan 8.180 nan 0.000 0.613 501 G N 0.215 108.803 108.800 -0.354 0.000 2.662 501 G HA2 -0.093 3.865 3.960 -0.003 0.000 0.212 501 G HA3 -0.093 3.865 3.960 -0.003 0.000 0.212 501 G C 0.013 174.794 174.900 -0.197 0.000 1.141 501 G CA -0.118 44.797 45.100 -0.308 0.000 0.797 501 G HN 0.200 nan 8.290 nan 0.000 0.531 502 W N 2.552 123.546 121.300 -0.510 0.000 2.376 502 W HA 0.547 5.205 4.660 -0.003 0.000 0.312 502 W C -0.604 175.840 176.519 -0.126 0.000 1.060 502 W CA -0.641 56.406 57.345 -0.496 0.000 1.221 502 W CB 1.461 30.277 29.460 -1.073 0.000 1.281 502 W HN 0.114 nan 8.180 nan 0.000 0.456 503 S N 5.529 121.166 115.700 -0.104 0.000 2.835 503 S HA 0.154 4.622 4.470 -0.003 0.000 0.140 503 S C -2.121 172.312 174.600 -0.279 0.000 1.131 503 S CA -0.773 57.393 58.200 -0.056 0.000 1.110 503 S CB 0.994 64.281 63.200 0.146 0.000 1.683 503 S HN 0.380 nan 8.310 nan 0.000 0.473 504 P HA 0.083 nan 4.420 nan 0.000 0.226 504 P C 1.384 178.597 177.300 -0.145 0.000 1.153 504 P CA 0.984 63.717 63.100 -0.613 0.000 0.777 504 P CB -0.090 31.288 31.700 -0.537 0.000 0.794 505 A N 0.287 123.078 122.820 -0.048 0.000 2.209 505 A HA 0.171 4.489 4.320 -0.003 0.000 0.212 505 A C 2.307 179.904 177.584 0.021 0.000 1.158 505 A CA 1.055 53.043 52.037 -0.081 0.000 0.742 505 A CB -1.133 17.698 19.000 -0.281 0.000 0.790 505 A HN 0.202 nan 8.150 nan 0.000 0.472 506 A N -0.315 122.549 122.820 0.073 0.000 1.940 506 A HA -0.060 4.258 4.320 -0.003 0.000 0.219 506 A C 2.154 179.797 177.584 0.098 0.000 1.176 506 A CA 1.951 54.077 52.037 0.148 0.000 0.631 506 A CB -0.690 18.345 19.000 0.058 0.000 0.814 506 A HN 0.370 nan 8.150 nan 0.000 0.446 507 V N 0.170 120.089 119.914 0.009 0.000 2.283 507 V HA -0.125 3.993 4.120 -0.003 0.000 0.243 507 V C -0.052 176.056 176.094 0.023 0.000 1.039 507 V CA 2.209 64.514 62.300 0.009 0.000 1.016 507 V CB -1.568 30.214 31.823 -0.067 0.000 0.650 507 V HN 0.325 nan 8.190 nan 0.000 0.449 508 P HA -0.232 nan 4.420 nan 0.000 0.217 508 P C 1.414 178.767 177.300 0.088 0.000 1.158 508 P CA 1.910 64.958 63.100 -0.086 0.000 0.887 508 P CB -0.178 31.352 31.700 -0.283 0.000 0.792 509 W N 0.203 121.463 121.300 -0.066 0.000 2.354 509 W HA -0.140 4.519 4.660 -0.002 0.000 0.315 509 W C 2.093 178.652 176.519 0.067 0.000 1.206 509 W CA 0.759 58.114 57.345 0.016 0.000 1.290 509 W CB -1.375 28.119 29.460 0.058 0.000 1.152 509 W HN -0.155 nan 8.180 nan 0.000 0.489 510 I N 0.608 121.298 120.570 0.200 0.000 2.454 510 I HA -0.260 3.909 4.170 -0.003 0.000 0.254 510 I C 2.361 178.556 176.117 0.130 0.000 1.156 510 I CA 1.380 62.727 61.300 0.077 0.000 1.433 510 I CB -0.682 37.330 38.000 0.021 0.000 1.082 510 I HN -0.099 nan 8.210 nan 0.000 0.432 511 L N -0.488 120.818 121.223 0.139 0.000 2.265 511 L HA -0.238 4.100 4.340 -0.003 0.000 0.215 511 L C 2.437 179.413 176.870 0.176 0.000 1.117 511 L CA 1.038 55.955 54.840 0.130 0.000 0.782 511 L CB -0.608 41.497 42.059 0.076 0.000 0.914 511 L HN 0.350 nan 8.230 nan 0.000 0.441 512 Q N -0.185 119.748 119.800 0.221 0.000 2.050 512 Q HA -0.193 4.145 4.340 -0.003 0.000 0.202 512 Q C 1.969 178.145 176.000 0.293 0.000 0.980 512 Q CA 1.477 57.437 55.803 0.262 0.000 0.840 512 Q CB -0.194 28.733 28.738 0.314 0.000 0.898 512 Q HN 0.609 nan 8.270 nan 0.000 0.424 513 N N 0.111 118.991 118.700 0.300 0.000 2.149 513 N HA -0.142 4.596 4.740 -0.003 0.000 0.188 513 N C 1.933 177.612 175.510 0.283 0.000 1.019 513 N CA 1.322 54.572 53.050 0.334 0.000 0.857 513 N CB -0.049 38.592 38.487 0.256 0.000 0.997 513 N HN 0.067 nan 8.380 nan 0.000 0.426 514 V N 0.825 120.855 119.914 0.194 0.000 2.307 514 V HA -0.235 3.884 4.120 -0.003 0.000 0.245 514 V C 2.077 178.264 176.094 0.156 0.000 1.045 514 V CA 1.415 63.807 62.300 0.153 0.000 1.024 514 V CB -0.769 31.123 31.823 0.114 0.000 0.651 514 V HN 0.265 nan 8.190 nan 0.000 0.449 515 Y N 1.248 121.596 120.300 0.080 0.000 2.274 515 Y HA -0.202 4.346 4.550 -0.002 0.000 0.290 515 Y C 2.518 178.446 175.900 0.047 0.000 1.145 515 Y CA 1.715 59.861 58.100 0.077 0.000 1.203 515 Y CB -0.205 38.293 38.460 0.063 0.000 0.984 515 Y HN 0.373 nan 8.280 nan 0.000 0.533 516 E N -0.188 119.976 120.200 -0.061 0.000 2.209 516 E HA -0.245 4.103 4.350 -0.003 0.000 0.196 516 E C 2.334 178.515 176.600 -0.698 0.000 0.993 516 E CA 0.831 57.067 56.400 -0.274 0.000 0.819 516 E CB -0.290 29.360 29.700 -0.083 0.000 0.745 516 E HN 0.600 nan 8.360 nan 0.000 0.477 517 A N 0.874 123.332 122.820 -0.604 0.000 1.940 517 A HA -0.228 4.090 4.320 -0.003 0.000 0.219 517 A C 1.999 179.466 177.584 -0.195 0.000 1.176 517 A CA 1.429 53.240 52.037 -0.376 0.000 0.631 517 A CB -0.624 18.407 19.000 0.052 0.000 0.814 517 A HN 0.380 nan 8.150 nan 0.000 0.446 518 Y N 0.490 120.582 120.300 -0.348 0.000 2.206 518 Y HA -0.077 4.472 4.550 -0.003 0.000 0.292 518 Y C 2.224 177.901 175.900 -0.372 0.000 1.123 518 Y CA 1.767 59.661 58.100 -0.343 0.000 1.142 518 Y CB -0.383 37.834 38.460 -0.404 0.000 1.006 518 Y HN 0.466 nan 8.280 nan 0.000 0.518 519 E N -0.886 118.938 120.200 -0.627 0.000 2.086 519 E HA -0.295 4.053 4.350 -0.003 0.000 0.200 519 E C 1.760 178.076 176.600 -0.473 0.000 1.012 519 E CA 2.028 58.095 56.400 -0.556 0.000 0.812 519 E CB -0.450 28.992 29.700 -0.431 0.000 0.743 519 E HN 0.582 nan 8.360 nan 0.000 0.453 520 Y N -0.329 119.742 120.300 -0.380 0.000 2.544 520 Y HA -0.058 4.491 4.550 -0.003 0.000 0.286 520 Y C 2.467 178.250 175.900 -0.195 0.000 1.141 520 Y CA 0.954 58.921 58.100 -0.221 0.000 1.299 520 Y CB 0.443 38.813 38.460 -0.149 0.000 1.030 520 Y HN 0.091 nan 8.280 nan 0.000 0.543 521 S N -2.539 113.073 115.700 -0.147 0.000 2.599 521 S HA 0.288 4.756 4.470 -0.003 0.000 0.236 521 S C 1.833 176.297 174.600 -0.227 0.000 1.077 521 S CA 0.407 58.534 58.200 -0.123 0.000 0.906 521 S CB 0.124 63.300 63.200 -0.041 0.000 0.804 521 S HN 0.388 nan 8.310 nan 0.000 0.497 522 G N 2.041 110.551 108.800 -0.483 0.000 2.168 522 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.257 522 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.257 522 G C -0.292 174.577 174.900 -0.051 0.000 0.997 522 G CA 0.367 45.180 45.100 -0.479 0.000 0.708 522 G HN 0.696 nan 8.290 nan 0.000 0.520 523 D N 0.522 120.958 120.400 0.060 0.000 2.339 523 D HA 0.308 4.947 4.640 -0.003 0.000 0.256 523 D C -0.026 176.426 176.300 0.253 0.000 1.214 523 D CA -1.827 52.260 54.000 0.144 0.000 0.877 523 D CB 1.280 42.141 40.800 0.102 0.000 1.111 523 D HN 0.195 nan 8.370 nan 0.000 0.478 524 P HA -0.095 nan 4.420 nan 0.000 0.221 524 P C 0.945 178.270 177.300 0.042 0.000 1.150 524 P CA 0.654 63.813 63.100 0.098 0.000 0.800 524 P CB 0.253 31.989 31.700 0.060 0.000 0.787 525 A N 0.226 123.079 122.820 0.055 0.000 1.898 525 A HA -0.092 4.226 4.320 -0.003 0.000 0.216 525 A C 2.383 179.991 177.584 0.041 0.000 1.181 525 A CA 1.109 53.169 52.037 0.039 0.000 0.620 525 A CB -1.509 17.515 19.000 0.040 0.000 0.819 525 A HN 0.122 nan 8.150 nan 0.000 0.442 526 L N -0.984 120.283 121.223 0.073 0.000 2.093 526 L HA -0.146 4.192 4.340 -0.003 0.000 0.208 526 L C 2.518 179.399 176.870 0.019 0.000 1.085 526 L CA 0.985 55.872 54.840 0.079 0.000 0.755 526 L CB -0.503 41.637 42.059 0.135 0.000 0.904 526 L HN 0.469 nan 8.230 nan 0.000 0.435 527 L N 0.170 121.339 121.223 -0.090 0.000 2.013 527 L HA -0.284 4.055 4.340 -0.003 0.000 0.212 527 L C 1.997 178.800 176.870 -0.112 0.000 1.073 527 L CA 2.008 56.613 54.840 -0.392 0.000 0.753 527 L CB -0.717 40.938 42.059 -0.673 0.000 0.890 527 L HN 0.216 nan 8.230 nan 0.000 0.432 528 D N -0.644 119.734 120.400 -0.037 0.000 2.117 528 D HA -0.161 4.477 4.640 -0.003 0.000 0.197 528 D C 2.357 178.709 176.300 0.087 0.000 0.987 528 D CA 1.338 55.365 54.000 0.045 0.000 0.829 528 D CB -0.086 40.731 40.800 0.028 0.000 0.961 528 D HN 0.392 nan 8.370 nan 0.000 0.460 529 R N 0.246 120.776 120.500 0.049 0.000 2.075 529 R HA -0.070 4.268 4.340 -0.003 0.000 0.232 529 R C 2.482 178.816 176.300 0.057 0.000 1.126 529 R CA 1.249 57.374 56.100 0.041 0.000 0.963 529 R CB -0.389 29.927 30.300 0.025 0.000 0.858 529 R HN 0.238 nan 8.270 nan 0.000 0.435 530 V N -1.492 118.472 119.914 0.083 0.000 2.453 530 V HA -0.206 3.912 4.120 -0.003 0.000 0.247 530 V C 2.011 178.192 176.094 0.145 0.000 1.048 530 V CA 1.356 63.734 62.300 0.130 0.000 1.049 530 V CB -0.929 31.018 31.823 0.208 0.000 0.672 530 V HN 0.243 nan 8.190 nan 0.000 0.457 531 Y N 2.305 122.630 120.300 0.041 0.000 2.145 531 Y HA -0.088 4.460 4.550 -0.003 0.000 0.286 531 Y C 2.615 178.560 175.900 0.075 0.000 1.145 531 Y CA 2.040 60.172 58.100 0.053 0.000 1.148 531 Y CB -0.902 37.575 38.460 0.028 0.000 0.981 531 Y HN 0.304 nan 8.280 nan 0.000 0.507 532 A N 0.445 123.237 122.820 -0.047 0.000 1.883 532 A HA -0.201 4.117 4.320 -0.003 0.000 0.217 532 A C 2.355 179.878 177.584 -0.102 0.000 1.186 532 A CA 2.059 54.026 52.037 -0.116 0.000 0.624 532 A CB -1.247 17.745 19.000 -0.013 0.000 0.822 532 A HN 0.570 nan 8.150 nan 0.000 0.444 533 L N -0.944 120.257 121.223 -0.036 0.000 2.017 533 L HA -0.173 4.165 4.340 -0.003 0.000 0.208 533 L C 2.596 179.512 176.870 0.076 0.000 1.073 533 L CA 1.157 56.026 54.840 0.048 0.000 0.745 533 L CB -0.457 41.636 42.059 0.057 0.000 0.894 533 L HN 0.372 nan 8.230 nan 0.000 0.432 534 L N -0.350 120.845 121.223 -0.046 0.000 2.093 534 L HA -0.214 4.124 4.340 -0.003 0.000 0.208 534 L C 2.690 179.418 176.870 -0.236 0.000 1.085 534 L CA 1.141 55.890 54.840 -0.153 0.000 0.755 534 L CB -0.425 41.517 42.059 -0.195 0.000 0.904 534 L HN 0.249 nan 8.230 nan 0.000 0.435 535 K N 0.525 120.778 120.400 -0.245 0.000 2.032 535 K HA -0.276 4.042 4.320 -0.003 0.000 0.209 535 K C 2.066 178.742 176.600 0.126 0.000 1.048 535 K CA 2.006 58.262 56.287 -0.052 0.000 0.927 535 K CB -0.021 32.293 32.500 -0.310 0.000 0.712 535 K HN 0.270 nan 8.250 nan 0.000 0.441 536 E N 0.056 120.316 120.200 0.101 0.000 2.107 536 E HA -0.208 4.141 4.350 -0.003 0.000 0.191 536 E C 1.840 178.569 176.600 0.214 0.000 0.982 536 E CA 1.142 57.664 56.400 0.204 0.000 0.809 536 E CB 0.083 29.922 29.700 0.233 0.000 0.756 536 E HN 0.278 nan 8.360 nan 0.000 0.459 537 E N 0.056 120.303 120.200 0.078 0.000 2.152 537 E HA -0.082 4.266 4.350 -0.003 0.000 0.192 537 E C 1.905 178.581 176.600 0.126 0.000 0.983 537 E CA 1.367 57.743 56.400 -0.039 0.000 0.818 537 E CB -0.067 29.497 29.700 -0.225 0.000 0.758 537 E HN 0.109 nan 8.360 nan 0.000 0.467 538 S N -0.265 115.416 115.700 -0.032 0.000 2.368 538 S HA -0.178 4.291 4.470 -0.003 0.000 0.224 538 S C 1.762 176.479 174.600 0.195 0.000 1.029 538 S CA 1.070 59.183 58.200 -0.144 0.000 0.988 538 S CB -0.553 62.138 63.200 -0.848 0.000 0.838 538 S HN 0.470 nan 8.310 nan 0.000 0.462 539 H N 0.269 119.507 119.070 0.281 0.000 2.319 539 H HA -0.158 4.396 4.556 -0.003 0.000 0.297 539 H C 2.107 177.674 175.328 0.399 0.000 1.097 539 H CA 1.894 58.165 56.048 0.371 0.000 1.285 539 H CB -0.435 29.527 29.762 0.334 0.000 1.368 539 H HN 0.419 nan 8.280 nan 0.000 0.495 540 F N 0.879 121.012 119.950 0.305 0.000 2.069 540 F HA -0.245 4.281 4.527 -0.002 0.000 0.298 540 F C 2.124 178.014 175.800 0.150 0.000 1.113 540 F CA 1.548 59.696 58.000 0.247 0.000 1.214 540 F CB -1.114 37.911 39.000 0.042 0.000 0.978 540 F HN 0.090 nan 8.300 nan 0.000 0.474 541 Y N -0.365 119.900 120.300 -0.058 0.000 2.163 541 Y HA -0.192 4.356 4.550 -0.003 0.000 0.288 541 Y C 2.580 178.469 175.900 -0.018 0.000 1.136 541 Y CA 1.936 59.934 58.100 -0.171 0.000 1.147 541 Y CB -0.882 37.502 38.460 -0.126 0.000 0.987 541 Y HN -0.111 nan 8.280 nan 0.000 0.509 542 V N 0.493 120.546 119.914 0.231 0.000 2.295 542 V HA -0.317 3.801 4.120 -0.003 0.000 0.246 542 V C 1.817 178.134 176.094 0.371 0.000 1.049 542 V CA 2.231 64.754 62.300 0.371 0.000 1.024 542 V CB -0.474 31.568 31.823 0.366 0.000 0.648 542 V HN 0.508 nan 8.190 nan 0.000 0.447 543 N N -1.917 116.823 118.700 0.066 0.000 2.415 543 N HA -0.008 4.731 4.740 -0.003 0.000 0.176 543 N C 1.457 176.683 175.510 -0.474 0.000 1.042 543 N CA 1.073 54.039 53.050 -0.138 0.000 0.902 543 N CB 0.321 38.488 38.487 -0.533 0.000 0.986 543 N HN 0.567 nan 8.380 nan 0.000 0.447 544 Y N -0.892 119.326 120.300 -0.136 0.000 2.585 544 Y HA 0.298 4.847 4.550 -0.002 0.000 0.272 544 Y C 1.995 177.703 175.900 -0.320 0.000 1.119 544 Y CA -0.062 57.890 58.100 -0.247 0.000 1.255 544 Y CB 0.241 38.524 38.460 -0.295 0.000 1.284 544 Y HN -0.126 nan 8.280 nan 0.000 0.499 545 M N -0.243 119.164 119.600 -0.321 0.000 2.552 545 M HA 0.223 4.701 4.480 -0.003 0.000 0.264 545 M C 0.403 176.623 176.300 -0.133 0.000 1.159 545 M CA 0.682 55.750 55.300 -0.387 0.000 1.176 545 M CB -0.441 31.571 32.600 -0.979 0.000 1.327 545 M HN -0.016 nan 8.290 nan 0.000 0.481 546 L N 1.383 122.596 121.223 -0.016 0.000 2.417 546 L HA 0.151 4.489 4.340 -0.003 0.000 0.268 546 L C 0.235 177.156 176.870 0.086 0.000 1.158 546 L CA -0.064 54.773 54.840 -0.005 0.000 0.819 546 L CB 0.269 42.244 42.059 -0.141 0.000 1.112 546 L HN 0.416 nan 8.230 nan 0.000 0.458 547 H N 0.345 119.362 119.070 -0.089 0.000 2.985 547 H HA 0.406 4.961 4.556 -0.002 0.000 0.360 547 H C -1.135 174.141 175.328 -0.086 0.000 1.221 547 H CA -1.318 54.718 56.048 -0.020 0.000 1.121 547 H CB 1.662 31.446 29.762 0.037 0.000 1.854 547 H HN 0.408 nan 8.280 nan 0.000 0.551 548 K N 1.891 122.207 120.400 -0.140 0.000 2.379 548 K HA 0.372 4.691 4.320 -0.003 0.000 0.284 548 K C -0.082 176.198 176.600 -0.533 0.000 1.044 548 K CA -0.054 56.087 56.287 -0.242 0.000 0.974 548 K CB 0.507 32.947 32.500 -0.099 0.000 0.962 548 K HN 0.643 nan 8.250 nan 0.000 0.474 549 A N 3.740 126.355 122.820 -0.343 0.000 2.483 549 A HA 0.295 4.614 4.320 -0.003 0.000 0.238 549 A C 0.642 178.103 177.584 -0.205 0.000 1.070 549 A CA 0.246 52.122 52.037 -0.268 0.000 0.770 549 A CB 0.268 19.206 19.000 -0.102 0.000 1.008 549 A HN 0.940 nan 8.150 nan 0.000 0.497 550 G N -0.201 108.527 108.800 -0.119 0.000 2.588 550 G HA2 0.354 4.312 3.960 -0.003 0.000 0.278 550 G HA3 0.354 4.312 3.960 -0.003 0.000 0.278 550 G C 1.258 176.159 174.900 0.000 0.000 1.307 550 G CA 0.361 45.438 45.100 -0.039 0.000 1.016 550 G HN 1.481 nan 8.290 nan 0.000 0.503 551 S N -1.010 114.701 115.700 0.017 0.000 2.419 551 S HA -0.206 4.262 4.470 -0.003 0.000 0.235 551 S C 2.352 176.991 174.600 0.066 0.000 1.019 551 S CA 1.768 59.986 58.200 0.030 0.000 0.982 551 S CB -0.566 62.649 63.200 0.026 0.000 0.789 551 S HN 1.010 nan 8.310 nan 0.000 0.490 552 S N 0.856 116.617 115.700 0.102 0.000 2.447 552 S HA 0.092 4.561 4.470 -0.003 0.000 0.233 552 S C 1.448 176.167 174.600 0.199 0.000 1.006 552 S CA 0.822 59.131 58.200 0.182 0.000 0.957 552 S CB -0.468 62.885 63.200 0.255 0.000 0.773 552 S HN 0.435 nan 8.310 nan 0.000 0.507 553 S N 0.627 116.404 115.700 0.128 0.000 2.663 553 S HA 0.602 5.070 4.470 -0.003 0.000 0.243 553 S C 0.876 175.475 174.600 -0.002 0.000 1.009 553 S CA -0.081 58.187 58.200 0.113 0.000 0.988 553 S CB 0.254 63.525 63.200 0.118 0.000 0.896 553 S HN 1.070 nan 8.310 nan 0.000 0.502 554 G N 2.418 111.225 108.800 0.012 0.000 2.562 554 G HA2 -0.243 3.716 3.960 -0.003 0.000 0.250 554 G HA3 -0.243 3.716 3.960 -0.003 0.000 0.250 554 G C -0.772 174.090 174.900 -0.063 0.000 1.269 554 G CA -0.071 45.015 45.100 -0.023 0.000 0.919 554 G HN 0.405 nan 8.290 nan 0.000 0.574 555 D N 1.338 121.695 120.400 -0.072 0.000 2.485 555 D HA 0.573 5.211 4.640 -0.003 0.000 0.221 555 D C 0.651 176.885 176.300 -0.111 0.000 1.112 555 D CA -0.154 53.801 54.000 -0.075 0.000 0.911 555 D CB -0.364 40.409 40.800 -0.046 0.000 1.019 555 D HN 0.821 nan 8.370 nan 0.000 0.516 556 R N 1.669 122.083 120.500 -0.143 0.000 2.765 556 R HA 0.382 4.721 4.340 -0.003 0.000 0.277 556 R C -1.123 175.060 176.300 -0.195 0.000 1.028 556 R CA -0.972 55.019 56.100 -0.182 0.000 0.860 556 R CB 0.441 30.580 30.300 -0.269 0.000 1.270 556 R HN 0.064 nan 8.270 nan 0.000 0.484 557 L N 1.694 122.778 121.223 -0.231 0.000 2.397 557 L HA 0.434 4.772 4.340 -0.003 0.000 0.271 557 L C 0.410 177.182 176.870 -0.163 0.000 1.148 557 L CA -0.011 54.674 54.840 -0.258 0.000 0.825 557 L CB 1.262 43.051 42.059 -0.451 0.000 1.117 557 L HN 0.959 nan 8.230 nan 0.000 0.456 558 T N -3.033 111.504 114.554 -0.028 0.000 2.858 558 T HA 0.296 4.645 4.350 -0.003 0.000 0.285 558 T C 0.644 175.402 174.700 0.096 0.000 1.052 558 T CA -0.125 62.005 62.100 0.050 0.000 1.009 558 T CB 1.630 70.576 68.868 0.129 0.000 1.241 558 T HN 0.602 nan 8.240 nan 0.000 0.542 559 T N -1.942 112.670 114.554 0.095 0.000 3.169 559 T HA 0.513 4.861 4.350 -0.003 0.000 0.250 559 T C 1.392 176.101 174.700 0.015 0.000 1.111 559 T CA 0.339 62.496 62.100 0.094 0.000 1.010 559 T CB -1.152 67.818 68.868 0.170 0.000 0.984 559 T HN 1.786 nan 8.240 nan 0.000 0.537 560 G N 1.140 109.899 108.800 -0.068 0.000 2.553 560 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.242 560 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.242 560 G C -0.079 174.833 174.900 0.020 0.000 1.277 560 G CA -0.437 44.508 45.100 -0.258 0.000 0.910 560 G HN 0.959 nan 8.290 nan 0.000 0.576 561 V N 1.211 121.134 119.914 0.016 0.000 2.557 561 V HA 0.434 4.553 4.120 -0.003 0.000 0.301 561 V C 0.893 177.154 176.094 0.277 0.000 1.026 561 V CA 1.775 64.134 62.300 0.098 0.000 1.137 561 V CB 0.223 32.031 31.823 -0.024 0.000 0.917 561 V HN 2.483 nan 8.190 nan 0.000 0.484 562 A N 5.950 128.975 122.820 0.342 0.000 2.604 562 A HA 0.683 5.001 4.320 -0.003 0.000 0.295 562 A C -1.746 176.181 177.584 0.571 0.000 1.067 562 A CA -0.571 51.760 52.037 0.491 0.000 0.683 562 A CB 1.422 20.649 19.000 0.378 0.000 1.281 562 A HN 1.035 nan 8.150 nan 0.000 0.407 563 Y N 1.150 121.737 120.300 0.479 0.000 2.377 563 Y HA 0.669 5.217 4.550 -0.003 0.000 0.339 563 Y C 0.275 176.353 175.900 0.297 0.000 1.011 563 Y CA -0.955 57.388 58.100 0.405 0.000 1.093 563 Y CB 2.174 40.880 38.460 0.410 0.000 1.201 563 Y HN 0.621 nan 8.280 nan 0.000 0.455 564 S N 8.223 123.790 115.700 -0.221 0.000 2.415 564 S HA 0.454 4.922 4.470 -0.003 0.000 0.313 564 S C -2.764 171.342 174.600 -0.823 0.000 1.067 564 S CA -1.731 56.215 58.200 -0.423 0.000 1.099 564 S CB -0.052 62.915 63.200 -0.388 0.000 0.991 564 S HN 0.429 nan 8.310 nan 0.000 0.491 565 P HA 0.133 nan 4.420 nan 0.000 0.267 565 P C -0.585 176.407 177.300 -0.513 0.000 1.205 565 P CA 0.158 62.842 63.100 -0.693 0.000 0.765 565 P CB 0.317 31.689 31.700 -0.546 0.000 0.828 566 E N 2.247 122.356 120.200 -0.151 0.000 3.846 566 E HA 0.112 4.461 4.350 -0.003 0.000 0.216 566 E C -0.111 176.508 176.600 0.030 0.000 1.092 566 E CA -0.256 56.125 56.400 -0.031 0.000 1.370 566 E CB 0.479 30.283 29.700 0.173 0.000 1.227 566 E HN 0.503 nan 8.360 nan 0.000 0.442 567 Q N -1.192 118.463 119.800 -0.241 0.000 2.626 567 Q HA 0.732 5.070 4.340 -0.003 0.000 0.300 567 Q C 0.248 176.361 176.000 0.187 0.000 0.988 567 Q CA -0.779 54.941 55.803 -0.139 0.000 0.761 567 Q CB 1.605 29.982 28.738 -0.602 0.000 1.494 567 Q HN 0.141 nan 8.270 nan 0.000 0.439 568 G N 0.194 109.100 108.800 0.175 0.000 2.741 568 G HA2 -0.148 3.811 3.960 -0.003 0.000 0.222 568 G HA3 -0.148 3.811 3.960 -0.003 0.000 0.222 568 G C -2.692 172.303 174.900 0.158 0.000 1.364 568 G CA -0.473 44.640 45.100 0.022 0.000 0.866 568 G HN 0.650 nan 8.290 nan 0.000 0.555 569 P HA 0.364 nan 4.420 nan 0.000 0.272 569 P C 1.416 178.919 177.300 0.337 0.000 1.223 569 P CA -0.545 62.633 63.100 0.129 0.000 0.784 569 P CB 0.406 32.139 31.700 0.056 0.000 0.923 570 L N 0.596 121.929 121.223 0.184 0.000 2.083 570 L HA -0.005 4.333 4.340 -0.003 0.000 0.209 570 L C 1.275 178.278 176.870 0.221 0.000 1.083 570 L CA 1.633 56.538 54.840 0.107 0.000 0.752 570 L CB -0.664 41.307 42.059 -0.147 0.000 0.899 570 L HN 0.535 nan 8.230 nan 0.000 0.433 571 G N -0.222 108.643 108.800 0.109 0.000 2.954 571 G HA2 0.442 4.400 3.960 -0.003 0.000 0.290 571 G HA3 0.442 4.400 3.960 -0.003 0.000 0.290 571 G C -0.412 174.567 174.900 0.132 0.000 1.574 571 G CA -0.170 44.976 45.100 0.076 0.000 1.088 571 G HN 0.039 nan 8.290 nan 0.000 0.557 572 T N -1.304 113.380 114.554 0.215 0.000 2.938 572 T HA 0.518 4.866 4.350 -0.003 0.000 0.285 572 T C -0.564 174.246 174.700 0.183 0.000 1.028 572 T CA -0.710 61.511 62.100 0.200 0.000 1.005 572 T CB 2.293 71.261 68.868 0.166 0.000 1.157 572 T HN 0.113 nan 8.240 nan 0.000 0.550 573 D N 0.644 121.150 120.400 0.177 0.000 2.508 573 D HA 0.423 5.061 4.640 -0.003 0.000 0.224 573 D C 1.120 177.556 176.300 0.226 0.000 1.171 573 D CA 1.232 55.355 54.000 0.206 0.000 1.006 573 D CB -0.907 40.020 40.800 0.211 0.000 1.073 573 D HN 1.094 nan 8.370 nan 0.000 0.513 574 G N 2.871 111.801 108.800 0.216 0.000 2.804 574 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.230 574 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.230 574 G C -0.345 174.686 174.900 0.219 0.000 1.386 574 G CA -0.119 45.120 45.100 0.231 0.000 0.875 574 G HN 0.878 nan 8.290 nan 0.000 0.557 575 N N -4.064 114.739 118.700 0.172 0.000 3.227 575 N HA 0.515 5.253 4.740 -0.003 0.000 0.241 575 N C 0.569 175.985 175.510 -0.156 0.000 1.480 575 N CA 0.277 53.253 53.050 -0.123 0.000 0.886 575 N CB 0.207 38.611 38.487 -0.139 0.000 1.406 575 N HN 0.549 nan 8.380 nan 0.000 0.514 576 T N -0.750 113.537 114.554 -0.445 0.000 2.821 576 T HA -0.142 4.206 4.350 -0.003 0.000 0.267 576 T C 1.212 175.841 174.700 -0.119 0.000 1.046 576 T CA 1.688 63.630 62.100 -0.263 0.000 1.139 576 T CB -0.627 68.037 68.868 -0.340 0.000 0.871 576 T HN 0.514 nan 8.240 nan 0.000 0.454 577 Y N 2.445 122.610 120.300 -0.224 0.000 2.053 577 Y HA -0.220 4.329 4.550 -0.002 0.000 0.277 577 Y C 2.223 178.036 175.900 -0.145 0.000 1.159 577 Y CA 1.622 59.611 58.100 -0.184 0.000 1.125 577 Y CB -0.511 37.848 38.460 -0.169 0.000 0.969 577 Y HN 0.244 nan 8.280 nan 0.000 0.492 578 E N -0.465 119.455 120.200 -0.467 0.000 2.072 578 E HA -0.138 4.210 4.350 -0.003 0.000 0.190 578 E C 2.345 178.788 176.600 -0.262 0.000 0.982 578 E CA 1.268 57.372 56.400 -0.494 0.000 0.803 578 E CB -0.199 29.381 29.700 -0.201 0.000 0.755 578 E HN 0.445 nan 8.360 nan 0.000 0.453 579 S N 0.795 116.433 115.700 -0.103 0.000 2.383 579 S HA -0.100 4.369 4.470 -0.003 0.000 0.227 579 S C 2.180 176.745 174.600 -0.058 0.000 1.026 579 S CA 0.848 59.027 58.200 -0.035 0.000 0.981 579 S CB -0.056 63.193 63.200 0.083 0.000 0.818 579 S HN 0.135 nan 8.310 nan 0.000 0.472 580 S N 1.741 117.368 115.700 -0.122 0.000 2.368 580 S HA 0.039 4.508 4.470 -0.003 0.000 0.225 580 S C 1.785 176.324 174.600 -0.101 0.000 1.030 580 S CA 0.890 59.011 58.200 -0.131 0.000 0.999 580 S CB -0.374 62.709 63.200 -0.196 0.000 0.844 580 S HN 0.369 nan 8.310 nan 0.000 0.459 581 L N 0.866 121.941 121.223 -0.247 0.000 2.056 581 L HA -0.054 4.284 4.340 -0.003 0.000 0.207 581 L C 2.314 179.045 176.870 -0.232 0.000 1.078 581 L CA 0.846 55.517 54.840 -0.282 0.000 0.749 581 L CB -0.597 41.207 42.059 -0.424 0.000 0.901 581 L HN 0.199 nan 8.230 nan 0.000 0.433 582 V N -1.314 118.443 119.914 -0.262 0.000 2.427 582 V HA -0.279 3.839 4.120 -0.003 0.000 0.248 582 V C 2.055 178.056 176.094 -0.154 0.000 1.051 582 V CA 1.676 63.788 62.300 -0.313 0.000 1.048 582 V CB -0.591 31.021 31.823 -0.353 0.000 0.666 582 V HN 0.606 nan 8.190 nan 0.000 0.456 583 W N 0.882 122.050 121.300 -0.220 0.000 2.335 583 W HA -0.293 4.365 4.660 -0.003 0.000 0.311 583 W C 2.604 179.024 176.519 -0.165 0.000 1.213 583 W CA 2.235 59.483 57.345 -0.163 0.000 1.274 583 W CB -0.127 29.258 29.460 -0.124 0.000 1.148 583 W HN 0.177 nan 8.180 nan 0.000 0.498 584 Q N 0.103 119.978 119.800 0.125 0.000 2.119 584 Q HA -0.233 4.105 4.340 -0.003 0.000 0.201 584 Q C 2.394 178.251 176.000 -0.238 0.000 0.972 584 Q CA 2.418 58.199 55.803 -0.037 0.000 0.847 584 Q CB -0.725 28.049 28.738 0.060 0.000 0.903 584 Q HN 0.483 nan 8.270 nan 0.000 0.433 585 M N -0.812 118.643 119.600 -0.241 0.000 2.086 585 M HA -0.172 4.307 4.480 -0.003 0.000 0.261 585 M C 1.593 177.644 176.300 -0.414 0.000 1.067 585 M CA 1.485 56.604 55.300 -0.303 0.000 1.116 585 M CB -0.067 32.346 32.600 -0.312 0.000 1.348 585 M HN 0.324 nan 8.290 nan 0.000 0.407 586 L N 0.229 121.191 121.223 -0.435 0.000 2.083 586 L HA -0.249 4.089 4.340 -0.003 0.000 0.209 586 L C 2.374 178.976 176.870 -0.447 0.000 1.083 586 L CA 1.062 55.616 54.840 -0.477 0.000 0.752 586 L CB -1.091 40.748 42.059 -0.368 0.000 0.899 586 L HN 0.440 nan 8.230 nan 0.000 0.433 587 N N 0.397 118.765 118.700 -0.554 0.000 2.058 587 N HA -0.206 4.532 4.740 -0.003 0.000 0.191 587 N C 1.482 176.749 175.510 -0.406 0.000 1.037 587 N CA 1.714 54.437 53.050 -0.547 0.000 0.848 587 N CB -0.142 37.861 38.487 -0.807 0.000 1.021 587 N HN 0.213 nan 8.380 nan 0.000 0.422 588 D N 0.155 120.278 120.400 -0.461 0.000 2.117 588 D HA -0.061 4.578 4.640 -0.003 0.000 0.197 588 D C 1.760 177.680 176.300 -0.632 0.000 0.987 588 D CA 1.304 54.888 54.000 -0.694 0.000 0.829 588 D CB -0.512 39.840 40.800 -0.746 0.000 0.961 588 D HN 0.380 nan 8.370 nan 0.000 0.460 589 A N 0.588 123.129 122.820 -0.464 0.000 1.902 589 A HA -0.136 4.182 4.320 -0.003 0.000 0.217 589 A C 2.374 179.973 177.584 0.026 0.000 1.181 589 A CA 0.911 52.736 52.037 -0.353 0.000 0.623 589 A CB -0.732 17.759 19.000 -0.848 0.000 0.818 589 A HN 0.196 nan 8.150 nan 0.000 0.443 590 I N -0.295 120.296 120.570 0.035 0.000 2.226 590 I HA -0.230 3.938 4.170 -0.003 0.000 0.245 590 I C 2.432 178.607 176.117 0.096 0.000 1.100 590 I CA 1.306 62.723 61.300 0.196 0.000 1.374 590 I CB -0.292 37.762 38.000 0.091 0.000 1.057 590 I HN 0.278 nan 8.210 nan 0.000 0.413 591 E N 0.846 121.036 120.200 -0.016 0.000 2.106 591 E HA -0.178 4.171 4.350 -0.003 0.000 0.192 591 E C 2.333 179.006 176.600 0.121 0.000 0.984 591 E CA 1.404 57.829 56.400 0.043 0.000 0.806 591 E CB -0.355 29.370 29.700 0.042 0.000 0.750 591 E HN 0.508 nan 8.360 nan 0.000 0.458 592 A N 1.572 124.451 122.820 0.098 0.000 1.877 592 A HA -0.090 4.228 4.320 -0.003 0.000 0.216 592 A C 2.443 180.073 177.584 0.076 0.000 1.186 592 A CA 2.135 54.280 52.037 0.181 0.000 0.620 592 A CB -0.648 18.522 19.000 0.283 0.000 0.822 592 A HN 0.269 nan 8.150 nan 0.000 0.443 593 A N -0.106 122.826 122.820 0.186 0.000 1.883 593 A HA -0.198 4.120 4.320 -0.003 0.000 0.217 593 A C 2.119 179.665 177.584 -0.063 0.000 1.186 593 A CA 1.925 53.975 52.037 0.022 0.000 0.624 593 A CB -0.511 18.653 19.000 0.273 0.000 0.822 593 A HN 0.541 nan 8.150 nan 0.000 0.444 594 K N -0.409 120.001 120.400 0.017 0.000 2.103 594 K HA -0.093 4.225 4.320 -0.003 0.000 0.207 594 K C 2.184 178.778 176.600 -0.011 0.000 1.048 594 K CA 1.134 57.422 56.287 0.002 0.000 0.930 594 K CB -0.338 32.179 32.500 0.030 0.000 0.716 594 K HN 0.456 nan 8.250 nan 0.000 0.444 595 A N 1.464 124.288 122.820 0.008 0.000 2.070 595 A HA -0.152 4.166 4.320 -0.003 0.000 0.220 595 A C 1.558 179.105 177.584 -0.061 0.000 1.159 595 A CA 1.362 53.408 52.037 0.015 0.000 0.656 595 A CB -0.125 18.915 19.000 0.067 0.000 0.800 595 A HN 0.202 nan 8.150 nan 0.000 0.453 596 K N -1.654 118.661 120.400 -0.142 0.000 2.358 596 K HA 0.282 4.601 4.320 -0.003 0.000 0.197 596 K C 0.857 177.370 176.600 -0.144 0.000 1.025 596 K CA 0.414 56.589 56.287 -0.187 0.000 1.104 596 K CB 0.242 32.527 32.500 -0.360 0.000 0.855 596 K HN 0.574 nan 8.250 nan 0.000 0.531 597 G N 2.693 111.430 108.800 -0.104 0.000 2.137 597 G HA2 -0.289 3.670 3.960 -0.003 0.000 0.237 597 G HA3 -0.289 3.670 3.960 -0.003 0.000 0.237 597 G C -0.191 174.653 174.900 -0.093 0.000 1.002 597 G CA 0.265 45.317 45.100 -0.079 0.000 0.702 597 G HN 0.459 nan 8.290 nan 0.000 0.515 598 D N -0.816 119.512 120.400 -0.121 0.000 2.740 598 D HA -0.159 4.480 4.640 -0.003 0.000 0.231 598 D C 0.219 176.451 176.300 -0.113 0.000 1.194 598 D CA 1.165 55.093 54.000 -0.121 0.000 0.673 598 D CB -0.092 40.655 40.800 -0.088 0.000 0.995 598 D HN 0.426 nan 8.370 nan 0.000 0.411 599 P HA -0.105 nan 4.420 nan 0.000 0.220 599 P C 0.665 177.932 177.300 -0.055 0.000 1.148 599 P CA 0.862 63.912 63.100 -0.084 0.000 0.803 599 P CB 0.284 31.931 31.700 -0.088 0.000 0.782 600 D N -0.847 119.528 120.400 -0.042 0.000 2.339 600 D HA 0.128 4.766 4.640 -0.003 0.000 0.217 600 D C 1.219 177.460 176.300 -0.099 0.000 1.050 600 D CA 0.524 54.506 54.000 -0.031 0.000 0.856 600 D CB -0.340 40.488 40.800 0.046 0.000 0.922 600 D HN 0.134 nan 8.370 nan 0.000 0.518 601 G N 1.708 110.435 108.800 -0.123 0.000 2.338 601 G HA2 -0.278 3.680 3.960 -0.003 0.000 0.296 601 G HA3 -0.278 3.680 3.960 -0.003 0.000 0.296 601 G C 0.756 175.511 174.900 -0.242 0.000 1.040 601 G CA 0.205 45.215 45.100 -0.150 0.000 1.004 601 G HN 0.399 nan 8.290 nan 0.000 0.509 602 L N -0.974 120.019 121.223 -0.383 0.000 2.638 602 L HA 0.121 4.459 4.340 -0.003 0.000 0.232 602 L C 2.607 179.026 176.870 -0.752 0.000 1.099 602 L CA 0.083 54.473 54.840 -0.749 0.000 0.883 602 L CB 0.131 41.409 42.059 -1.301 0.000 1.136 602 L HN 0.257 nan 8.230 nan 0.000 0.492 603 V N 0.347 120.040 119.914 -0.369 0.000 2.307 603 V HA -0.066 4.053 4.120 -0.003 0.000 0.245 603 V C 1.817 177.863 176.094 -0.079 0.000 1.045 603 V CA 1.610 63.840 62.300 -0.116 0.000 1.024 603 V CB -1.129 30.677 31.823 -0.029 0.000 0.651 603 V HN 0.644 nan 8.190 nan 0.000 0.449 604 G N 1.173 109.906 108.800 -0.110 0.000 2.566 604 G HA2 -0.315 3.643 3.960 -0.003 0.000 0.280 604 G HA3 -0.315 3.643 3.960 -0.003 0.000 0.280 604 G C -0.153 174.729 174.900 -0.030 0.000 1.225 604 G CA 0.697 45.752 45.100 -0.075 0.000 0.966 604 G HN 1.159 nan 8.290 nan 0.000 0.560 605 N N -3.640 115.052 118.700 -0.012 0.000 3.378 605 N HA 0.548 5.286 4.740 -0.003 0.000 0.294 605 N C 0.108 175.629 175.510 0.019 0.000 1.544 605 N CA 0.552 53.604 53.050 0.002 0.000 0.872 605 N CB 0.561 39.042 38.487 -0.010 0.000 1.670 605 N HN 1.247 nan 8.380 nan 0.000 0.551 606 T N -3.717 110.850 114.554 0.021 0.000 3.243 606 T HA 0.314 4.662 4.350 -0.003 0.000 0.264 606 T C -0.415 174.298 174.700 0.021 0.000 1.000 606 T CA -0.246 61.873 62.100 0.032 0.000 0.901 606 T CB -1.047 67.843 68.868 0.037 0.000 1.083 606 T HN 0.480 nan 8.240 nan 0.000 0.559 607 T N 3.395 117.954 114.554 0.008 0.000 2.794 607 T HA 0.247 4.596 4.350 -0.003 0.000 0.296 607 T C -0.108 174.590 174.700 -0.002 0.000 0.949 607 T CA -0.273 61.827 62.100 -0.000 0.000 1.101 607 T CB 0.415 69.277 68.868 -0.010 0.000 0.905 607 T HN 0.386 nan 8.240 nan 0.000 0.516 608 D N 0.449 120.850 120.400 0.000 0.000 2.689 608 D HA -0.160 4.479 4.640 -0.003 0.000 0.237 608 D C -0.112 176.194 176.300 0.011 0.000 1.148 608 D CA 0.356 54.355 54.000 -0.001 0.000 0.656 608 D CB -1.301 39.488 40.800 -0.017 0.000 1.050 608 D HN 0.548 nan 8.370 nan 0.000 0.426 609 c N 1.335 119.956 118.600 0.034 0.000 2.264 609 c HA 0.662 5.231 4.570 -0.003 0.000 0.324 609 c C 0.242 174.385 174.090 0.090 0.000 1.267 609 c CA -0.041 56.333 56.329 0.075 0.000 1.618 609 c CB 0.664 43.223 42.510 0.081 0.000 2.278 609 c HN 0.420 nan 8.230 nan 0.000 0.499 610 S N 3.587 119.369 115.700 0.137 0.000 2.541 610 S HA 0.638 5.106 4.470 -0.003 0.000 0.271 610 S C 0.561 175.289 174.600 0.214 0.000 1.133 610 S CA 0.192 58.465 58.200 0.122 0.000 0.876 610 S CB 1.615 64.862 63.200 0.078 0.000 1.105 610 S HN 1.385 nan 8.310 nan 0.000 0.470 611 A N 2.269 125.163 122.820 0.123 0.000 2.070 611 A HA -0.016 4.302 4.320 -0.003 0.000 0.220 611 A C 1.368 179.087 177.584 0.225 0.000 1.159 611 A CA 1.853 53.961 52.037 0.119 0.000 0.656 611 A CB -0.735 18.247 19.000 -0.029 0.000 0.800 611 A HN 0.845 nan 8.150 nan 0.000 0.453 612 D N 0.532 121.026 120.400 0.156 0.000 2.263 612 D HA -0.115 4.523 4.640 -0.003 0.000 0.208 612 D C 1.118 177.511 176.300 0.155 0.000 0.971 612 D CA 0.837 54.915 54.000 0.131 0.000 0.867 612 D CB -0.359 40.483 40.800 0.070 0.000 0.929 612 D HN 0.377 nan 8.370 nan 0.000 0.492 613 N N -0.323 118.492 118.700 0.193 0.000 2.520 613 N HA -0.124 4.615 4.740 -0.003 0.000 0.185 613 N C 1.080 176.509 175.510 -0.135 0.000 1.068 613 N CA 0.382 53.426 53.050 -0.010 0.000 0.911 613 N CB -0.172 38.232 38.487 -0.137 0.000 0.961 613 N HN 0.445 nan 8.380 nan 0.000 0.446 614 W N 1.206 122.521 121.300 0.025 0.000 3.353 614 W HA 0.368 5.026 4.660 -0.003 0.000 0.304 614 W C 0.221 176.929 176.519 0.314 0.000 1.273 614 W CA -0.810 56.657 57.345 0.204 0.000 1.773 614 W CB 0.003 29.579 29.460 0.193 0.000 1.095 614 W HN -0.087 nan 8.180 nan 0.000 0.676 615 A N 2.071 125.081 122.820 0.317 0.000 2.546 615 A HA 0.141 4.459 4.320 -0.003 0.000 0.243 615 A C 0.167 177.881 177.584 0.217 0.000 1.063 615 A CA 0.775 52.941 52.037 0.215 0.000 0.757 615 A CB 0.149 19.223 19.000 0.125 0.000 0.991 615 A HN 0.230 nan 8.150 nan 0.000 0.503 616 K N 1.381 121.845 120.400 0.107 0.000 2.395 616 K HA 0.350 4.668 4.320 -0.003 0.000 0.247 616 K C -0.323 176.275 176.600 -0.002 0.000 0.973 616 K CA -0.915 55.368 56.287 -0.006 0.000 0.828 616 K CB 1.518 33.943 32.500 -0.125 0.000 1.272 616 K HN 0.886 nan 8.250 nan 0.000 0.439 617 N N -0.319 118.366 118.700 -0.025 0.000 2.405 617 N HA 0.056 4.794 4.740 -0.003 0.000 0.269 617 N C 0.095 175.593 175.510 -0.020 0.000 1.249 617 N CA -0.235 52.807 53.050 -0.014 0.000 0.974 617 N CB 0.278 38.758 38.487 -0.012 0.000 1.204 617 N HN 0.378 nan 8.380 nan 0.000 0.565 618 D N -1.166 119.227 120.400 -0.011 0.000 2.221 618 D HA -0.150 4.488 4.640 -0.003 0.000 0.204 618 D C 1.390 177.682 176.300 -0.015 0.000 0.982 618 D CA 1.619 55.614 54.000 -0.009 0.000 0.857 618 D CB -0.428 40.369 40.800 -0.005 0.000 0.934 618 D HN 0.675 nan 8.370 nan 0.000 0.475 619 S N -1.157 114.530 115.700 -0.020 0.000 2.527 619 S HA 0.210 4.679 4.470 -0.003 0.000 0.222 619 S C 1.680 176.260 174.600 -0.034 0.000 0.985 619 S CA 0.701 58.889 58.200 -0.020 0.000 0.921 619 S CB 0.390 63.580 63.200 -0.015 0.000 0.772 619 S HN 0.299 nan 8.310 nan 0.000 0.529 620 G N 0.772 109.534 108.800 -0.064 0.000 2.130 620 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.216 620 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.216 620 G C -0.420 174.340 174.900 -0.232 0.000 0.999 620 G CA -0.212 44.818 45.100 -0.117 0.000 0.686 620 G HN 0.621 nan 8.290 nan 0.000 0.515 621 N N -0.558 118.024 118.700 -0.197 0.000 2.417 621 N HA 0.667 5.406 4.740 -0.003 0.000 0.300 621 N C -0.200 175.171 175.510 -0.232 0.000 1.102 621 N CA -0.837 52.065 53.050 -0.247 0.000 0.886 621 N CB 0.780 39.208 38.487 -0.099 0.000 1.203 621 N HN 0.027 nan 8.380 nan 0.000 0.496 622 F N 0.605 120.501 119.950 -0.090 0.000 2.572 622 F HA 0.010 4.536 4.527 -0.003 0.000 0.370 622 F C 2.219 177.975 175.800 -0.074 0.000 1.103 622 F CA -0.237 57.703 58.000 -0.101 0.000 1.286 622 F CB 0.402 39.300 39.000 -0.168 0.000 1.105 622 F HN 0.580 nan 8.300 nan 0.000 0.583 623 T N -2.414 112.228 114.554 0.147 0.000 2.942 623 T HA -0.092 4.257 4.350 -0.003 0.000 0.265 623 T C 0.420 175.145 174.700 0.040 0.000 1.062 623 T CA 0.762 62.902 62.100 0.067 0.000 1.139 623 T CB -0.110 68.789 68.868 0.051 0.000 0.883 623 T HN 0.421 nan 8.240 nan 0.000 0.468 624 D N 0.741 121.158 120.400 0.028 0.000 2.453 624 D HA 0.629 5.268 4.640 -0.003 0.000 0.238 624 D C 0.930 177.183 176.300 -0.079 0.000 1.088 624 D CA -0.363 53.617 54.000 -0.035 0.000 0.854 624 D CB 1.354 42.116 40.800 -0.064 0.000 1.076 624 D HN 0.170 nan 8.370 nan 0.000 0.533 625 A N 4.144 126.933 122.820 -0.052 0.000 2.070 625 A HA -0.141 4.178 4.320 -0.003 0.000 0.220 625 A C 1.446 178.955 177.584 -0.125 0.000 1.159 625 A CA 0.955 52.952 52.037 -0.067 0.000 0.656 625 A CB -0.018 18.964 19.000 -0.030 0.000 0.800 625 A HN 0.561 nan 8.150 nan 0.000 0.453 626 N N -0.370 118.256 118.700 -0.123 0.000 2.205 626 N HA 0.244 4.982 4.740 -0.003 0.000 0.201 626 N C 0.474 175.887 175.510 -0.162 0.000 1.128 626 N CA 0.642 53.617 53.050 -0.126 0.000 0.867 626 N CB 0.095 38.532 38.487 -0.085 0.000 0.996 626 N HN 0.414 nan 8.380 nan 0.000 0.503 627 A N 1.266 123.959 122.820 -0.212 0.000 2.425 627 A HA 0.084 4.402 4.320 -0.003 0.000 0.242 627 A C 0.608 178.013 177.584 -0.299 0.000 1.077 627 A CA -0.251 51.645 52.037 -0.235 0.000 0.781 627 A CB 0.063 18.904 19.000 -0.264 0.000 1.020 627 A HN 0.138 nan 8.150 nan 0.000 0.494 628 N N 0.776 119.341 118.700 -0.225 0.000 2.416 628 N HA 0.063 4.801 4.740 -0.003 0.000 0.271 628 N C 0.124 175.442 175.510 -0.321 0.000 1.245 628 N CA 0.417 53.347 53.050 -0.201 0.000 0.940 628 N CB -0.069 38.365 38.487 -0.088 0.000 1.175 628 N HN 0.553 nan 8.380 nan 0.000 0.483 629 R N 1.226 121.475 120.500 -0.418 0.000 2.690 629 R HA 0.114 4.453 4.340 -0.003 0.000 0.419 629 R C 0.200 176.444 176.300 -0.092 0.000 1.090 629 R CA -0.385 55.381 56.100 -0.558 0.000 1.064 629 R CB 0.158 29.781 30.300 -1.129 0.000 1.391 629 R HN 0.593 nan 8.270 nan 0.000 0.586 630 S N -0.925 114.759 115.700 -0.027 0.000 2.589 630 S HA 0.018 4.487 4.470 -0.003 0.000 0.265 630 S C 0.994 175.735 174.600 0.234 0.000 1.342 630 S CA -0.617 57.588 58.200 0.008 0.000 1.005 630 S CB 0.642 63.811 63.200 -0.052 0.000 0.909 630 S HN 0.265 nan 8.310 nan 0.000 0.555 631 W N 0.986 122.310 121.300 0.041 0.000 2.338 631 W HA -0.039 4.620 4.660 -0.003 0.000 0.304 631 W C 2.854 179.374 176.519 0.001 0.000 1.212 631 W CA 0.708 58.069 57.345 0.027 0.000 1.264 631 W CB -2.074 27.385 29.460 -0.002 0.000 1.142 631 W HN 0.718 nan 8.180 nan 0.000 0.512 632 S N -0.308 115.521 115.700 0.214 0.000 2.368 632 S HA -0.219 4.249 4.470 -0.003 0.000 0.225 632 S C 2.007 176.671 174.600 0.108 0.000 1.030 632 S CA 1.544 59.808 58.200 0.108 0.000 0.999 632 S CB -0.999 62.240 63.200 0.064 0.000 0.844 632 S HN 0.386 nan 8.310 nan 0.000 0.459 633 c N 2.000 120.686 118.600 0.143 0.000 2.436 633 c HA 0.006 4.575 4.570 -0.003 0.000 0.277 633 c C 2.978 177.187 174.090 0.197 0.000 1.241 633 c CA 0.946 57.379 56.329 0.173 0.000 1.721 633 c CB -1.512 41.121 42.510 0.206 0.000 2.043 633 c HN 0.575 nan 8.230 nan 0.000 0.472 634 A N 0.437 123.427 122.820 0.283 0.000 1.892 634 A HA -0.262 4.057 4.320 -0.003 0.000 0.218 634 A C 2.306 179.895 177.584 0.009 0.000 1.188 634 A CA 2.295 54.403 52.037 0.118 0.000 0.631 634 A CB -0.910 18.240 19.000 0.250 0.000 0.822 634 A HN 0.798 nan 8.150 nan 0.000 0.447 635 K N 0.248 120.669 120.400 0.035 0.000 2.063 635 K HA -0.176 4.142 4.320 -0.003 0.000 0.208 635 K C 2.203 178.867 176.600 0.107 0.000 1.048 635 K CA 1.945 58.225 56.287 -0.011 0.000 0.928 635 K CB -0.246 32.157 32.500 -0.161 0.000 0.713 635 K HN 0.604 nan 8.250 nan 0.000 0.442 636 S N 0.245 115.997 115.700 0.087 0.000 2.474 636 S HA -0.070 4.399 4.470 -0.003 0.000 0.235 636 S C 1.728 176.365 174.600 0.062 0.000 0.997 636 S CA 0.731 58.993 58.200 0.103 0.000 0.949 636 S CB -0.216 63.030 63.200 0.078 0.000 0.766 636 S HN 0.360 nan 8.310 nan 0.000 0.517 637 L N 0.147 121.375 121.223 0.008 0.000 2.585 637 L HA 0.336 4.675 4.340 -0.003 0.000 0.226 637 L C 1.997 178.807 176.870 -0.099 0.000 1.113 637 L CA 0.064 54.865 54.840 -0.063 0.000 0.876 637 L CB -0.215 41.758 42.059 -0.143 0.000 1.072 637 L HN 0.279 nan 8.230 nan 0.000 0.468 638 L N -0.214 120.984 121.223 -0.042 0.000 2.109 638 L HA -0.090 4.248 4.340 -0.003 0.000 0.207 638 L C 0.752 177.547 176.870 -0.124 0.000 1.086 638 L CA 0.523 55.322 54.840 -0.069 0.000 0.760 638 L CB -0.311 41.774 42.059 0.044 0.000 0.910 638 L HN 0.154 nan 8.230 nan 0.000 0.437 639 K N -0.739 119.620 120.400 -0.069 0.000 3.490 639 K HA -0.187 4.131 4.320 -0.003 0.000 0.273 639 K C -1.810 174.701 176.600 -0.148 0.000 0.916 639 K CA 0.183 56.407 56.287 -0.104 0.000 0.718 639 K CB -0.822 31.610 32.500 -0.113 0.000 1.477 639 K HN 0.282 nan 8.250 nan 0.000 0.452 640 P HA -0.119 nan 4.420 nan 0.000 0.219 640 P C 0.326 177.597 177.300 -0.048 0.000 1.150 640 P CA 1.012 64.059 63.100 -0.088 0.000 0.814 640 P CB 0.167 31.726 31.700 -0.235 0.000 0.787 641 I N 0.923 121.365 120.570 -0.213 0.000 2.336 641 I HA 0.306 4.474 4.170 -0.003 0.000 0.292 641 I C 0.428 176.414 176.117 -0.218 0.000 0.991 641 I CA -0.761 60.331 61.300 -0.348 0.000 1.227 641 I CB 1.005 38.478 38.000 -0.879 0.000 1.366 641 I HN -0.070 nan 8.210 nan 0.000 0.466 642 E N 4.730 124.851 120.200 -0.131 0.000 2.256 642 E HA 0.438 4.787 4.350 -0.003 0.000 0.268 642 E C -1.229 175.325 176.600 -0.076 0.000 0.877 642 E CA -0.726 55.644 56.400 -0.049 0.000 0.757 642 E CB 3.243 32.983 29.700 0.066 0.000 1.183 642 E HN 0.225 nan 8.360 nan 0.000 0.418 643 V N 2.595 122.486 119.914 -0.039 0.000 2.461 643 V HA 0.348 4.467 4.120 -0.003 0.000 0.275 643 V C 0.800 176.902 176.094 0.012 0.000 1.047 643 V CA -0.221 62.069 62.300 -0.016 0.000 0.955 643 V CB 1.147 32.984 31.823 0.023 0.000 0.988 643 V HN 0.785 nan 8.190 nan 0.000 0.471 644 G N 2.351 111.157 108.800 0.011 0.000 2.525 644 G HA2 0.225 4.183 3.960 -0.003 0.000 0.287 644 G HA3 0.225 4.183 3.960 -0.003 0.000 0.287 644 G C 0.385 175.298 174.900 0.022 0.000 1.350 644 G CA -0.333 44.778 45.100 0.018 0.000 1.039 644 G HN 0.667 nan 8.290 nan 0.000 0.513 645 D N -0.499 119.911 120.400 0.017 0.000 2.348 645 D HA -0.024 4.615 4.640 -0.003 0.000 0.216 645 D C 1.843 178.157 176.300 0.023 0.000 0.970 645 D CA 0.745 54.756 54.000 0.018 0.000 0.889 645 D CB 0.329 41.136 40.800 0.011 0.000 0.912 645 D HN 0.186 nan 8.370 nan 0.000 0.524 646 S N -0.630 115.083 115.700 0.022 0.000 2.572 646 S HA 0.300 4.768 4.470 -0.003 0.000 0.228 646 S C 1.484 176.142 174.600 0.097 0.000 0.963 646 S CA 0.236 58.468 58.200 0.053 0.000 0.939 646 S CB 0.985 64.187 63.200 0.004 0.000 0.804 646 S HN 0.377 nan 8.310 nan 0.000 0.480 647 G N 2.674 111.514 108.800 0.068 0.000 2.153 647 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.252 647 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.252 647 G C 0.001 174.946 174.900 0.076 0.000 0.994 647 G CA 0.336 45.478 45.100 0.070 0.000 0.698 647 G HN 0.583 nan 8.290 nan 0.000 0.521 648 Q N 0.417 120.259 119.800 0.070 0.000 2.205 648 Q HA 0.615 4.953 4.340 -0.003 0.000 0.249 648 Q C 0.235 176.248 176.000 0.022 0.000 0.948 648 Q CA -1.133 54.715 55.803 0.074 0.000 0.895 648 Q CB 1.270 30.056 28.738 0.081 0.000 1.249 648 Q HN 0.261 nan 8.270 nan 0.000 0.458 649 I N 2.281 122.857 120.570 0.009 0.000 2.517 649 I HA 0.066 4.234 4.170 -0.003 0.000 0.285 649 I C 0.743 176.879 176.117 0.032 0.000 1.106 649 I CA 0.091 61.367 61.300 -0.040 0.000 1.402 649 I CB -0.184 37.750 38.000 -0.110 0.000 1.399 649 I HN 0.512 nan 8.210 nan 0.000 0.535 650 K N 5.374 125.744 120.400 -0.051 0.000 2.448 650 K HA -0.041 4.277 4.320 -0.003 0.000 0.278 650 K C 0.996 177.450 176.600 -0.243 0.000 1.009 650 K CA 0.067 56.290 56.287 -0.106 0.000 0.995 650 K CB 1.099 33.539 32.500 -0.101 0.000 0.917 650 K HN 0.539 nan 8.250 nan 0.000 0.481 651 E N 3.127 123.054 120.200 -0.456 0.000 2.190 651 E HA -0.017 4.331 4.350 -0.003 0.000 0.191 651 E C -0.429 175.485 176.600 -1.143 0.000 0.978 651 E CA 0.436 56.260 56.400 -0.960 0.000 0.839 651 E CB 0.468 29.218 29.700 -1.583 0.000 0.787 651 E HN 0.426 nan 8.360 nan 0.000 0.473 652 W N -0.607 120.412 121.300 -0.467 0.000 2.864 652 W HA 0.214 4.873 4.660 -0.003 0.000 0.343 652 W C -0.141 175.983 176.519 -0.660 0.000 1.109 652 W CA -0.857 56.076 57.345 -0.687 0.000 1.192 652 W CB 0.385 29.345 29.460 -0.834 0.000 1.426 652 W HN 0.028 nan 8.180 nan 0.000 0.529 653 Y N 0.720 120.932 120.300 -0.147 0.000 2.509 653 Y HA -0.176 4.373 4.550 -0.002 0.000 0.293 653 Y C 2.034 177.954 175.900 0.033 0.000 1.133 653 Y CA 0.818 58.879 58.100 -0.066 0.000 1.283 653 Y CB -0.625 37.800 38.460 -0.058 0.000 1.001 653 Y HN 0.216 nan 8.280 nan 0.000 0.555 654 F N -0.121 119.947 119.950 0.197 0.000 2.797 654 F HA 0.229 4.754 4.527 -0.003 0.000 0.302 654 F C 0.568 176.403 175.800 0.059 0.000 1.130 654 F CA -1.302 56.760 58.000 0.104 0.000 1.387 654 F CB -1.301 37.732 39.000 0.054 0.000 1.107 654 F HN -0.058 nan 8.300 nan 0.000 0.577 655 E N 0.736 121.188 120.200 0.419 0.000 2.373 655 E HA 0.419 4.767 4.350 -0.003 0.000 0.267 655 E C 0.818 177.498 176.600 0.134 0.000 1.032 655 E CA 0.298 56.862 56.400 0.273 0.000 0.889 655 E CB 0.855 30.680 29.700 0.208 0.000 0.984 655 E HN 0.338 nan 8.360 nan 0.000 0.425 656 G N 3.069 111.908 108.800 0.066 0.000 2.583 656 G HA2 0.426 4.384 3.960 -0.003 0.000 0.214 656 G HA3 0.426 4.384 3.960 -0.003 0.000 0.214 656 G C -0.098 174.802 174.900 -0.000 0.000 2.072 656 G CA 0.315 45.433 45.100 0.030 0.000 0.745 656 G HN 0.729 nan 8.290 nan 0.000 0.762 657 A N -0.319 122.485 122.820 -0.027 0.000 2.346 657 A HA 0.540 4.858 4.320 -0.003 0.000 0.252 657 A C 0.084 177.602 177.584 -0.110 0.000 1.089 657 A CA -0.392 51.612 52.037 -0.055 0.000 0.797 657 A CB 0.210 19.178 19.000 -0.054 0.000 1.047 657 A HN 0.889 nan 8.150 nan 0.000 0.494 658 L N 1.311 122.438 121.223 -0.160 0.000 2.559 658 L HA 0.401 4.739 4.340 -0.003 0.000 0.274 658 L C 1.349 177.969 176.870 -0.417 0.000 1.205 658 L CA 2.018 56.702 54.840 -0.260 0.000 0.907 658 L CB -0.288 41.555 42.059 -0.360 0.000 1.153 658 L HN 1.605 nan 8.230 nan 0.000 0.490 659 G N 2.568 110.959 108.800 -0.682 0.000 2.155 659 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.257 659 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.257 659 G C 0.265 174.854 174.900 -0.518 0.000 0.983 659 G CA 0.536 44.892 45.100 -1.240 0.000 0.676 659 G HN 0.596 nan 8.290 nan 0.000 0.528 660 K N -0.090 120.144 120.400 -0.277 0.000 2.385 660 K HA 0.529 4.848 4.320 -0.003 0.000 0.248 660 K C 0.278 176.820 176.600 -0.098 0.000 0.955 660 K CA -0.853 55.334 56.287 -0.167 0.000 0.816 660 K CB 1.861 34.288 32.500 -0.123 0.000 1.250 660 K HN 0.190 nan 8.250 nan 0.000 0.434 661 K N 1.198 121.522 120.400 -0.125 0.000 2.117 661 K HA 0.193 4.512 4.320 -0.003 0.000 0.240 661 K C 1.220 177.797 176.600 -0.039 0.000 1.031 661 K CA -0.580 55.649 56.287 -0.096 0.000 0.909 661 K CB 0.602 32.959 32.500 -0.238 0.000 1.097 661 K HN 0.303 nan 8.250 nan 0.000 0.492 662 K N 1.308 121.709 120.400 0.002 0.000 2.152 662 K HA -0.173 4.145 4.320 -0.003 0.000 0.206 662 K C 1.164 177.756 176.600 -0.013 0.000 1.048 662 K CA 1.695 57.990 56.287 0.012 0.000 0.933 662 K CB -0.197 32.325 32.500 0.037 0.000 0.721 662 K HN 0.667 nan 8.250 nan 0.000 0.447 663 D N -0.802 119.577 120.400 -0.034 0.000 2.349 663 D HA -0.001 4.637 4.640 -0.003 0.000 0.224 663 D C 1.173 177.447 176.300 -0.043 0.000 1.029 663 D CA 0.906 54.884 54.000 -0.038 0.000 0.879 663 D CB 0.112 40.884 40.800 -0.047 0.000 0.906 663 D HN 0.295 nan 8.370 nan 0.000 0.528 664 G N 0.163 108.933 108.800 -0.050 0.000 2.194 664 G HA2 -0.279 3.679 3.960 -0.003 0.000 0.236 664 G HA3 -0.279 3.679 3.960 -0.003 0.000 0.236 664 G C 0.413 175.274 174.900 -0.065 0.000 0.987 664 G CA 0.354 45.424 45.100 -0.050 0.000 0.635 664 G HN 0.813 nan 8.290 nan 0.000 0.520 665 S N 0.361 116.011 115.700 -0.084 0.000 2.603 665 S HA 0.596 5.064 4.470 -0.003 0.000 0.268 665 S C 0.603 175.129 174.600 -0.123 0.000 1.317 665 S CA 0.719 58.861 58.200 -0.096 0.000 1.012 665 S CB 1.533 64.668 63.200 -0.108 0.000 0.926 665 S HN 1.748 nan 8.310 nan 0.000 0.539 666 T N 0.411 114.900 114.554 -0.108 0.000 2.919 666 T HA 0.319 4.668 4.350 -0.003 0.000 0.302 666 T C 0.104 174.701 174.700 -0.172 0.000 1.031 666 T CA -0.725 61.307 62.100 -0.113 0.000 1.127 666 T CB -0.419 68.417 68.868 -0.053 0.000 0.952 666 T HN 0.548 nan 8.240 nan 0.000 0.540 667 I N 3.980 124.430 120.570 -0.200 0.000 2.421 667 I HA 0.085 4.254 4.170 -0.003 0.000 0.291 667 I C 0.949 176.966 176.117 -0.167 0.000 1.089 667 I CA -0.259 60.876 61.300 -0.276 0.000 1.354 667 I CB 0.495 38.288 38.000 -0.346 0.000 1.413 667 I HN 0.680 nan 8.210 nan 0.000 0.513 668 S N 5.005 120.600 115.700 -0.175 0.000 2.546 668 S HA 0.209 4.678 4.470 -0.003 0.000 0.290 668 S C 1.203 175.772 174.600 -0.052 0.000 1.290 668 S CA 0.641 58.788 58.200 -0.088 0.000 1.069 668 S CB 0.761 63.908 63.200 -0.088 0.000 0.846 668 S HN 1.083 nan 8.310 nan 0.000 0.495 669 G N 2.159 110.966 108.800 0.011 0.000 2.199 669 G HA2 -0.295 3.664 3.960 -0.003 0.000 0.254 669 G HA3 -0.295 3.664 3.960 -0.003 0.000 0.254 669 G C -0.041 174.895 174.900 0.059 0.000 0.982 669 G CA 0.120 45.246 45.100 0.045 0.000 0.632 669 G HN 0.772 nan 8.290 nan 0.000 0.529 670 Y N 1.992 122.259 120.300 -0.055 0.000 2.526 670 Y HA 0.455 5.004 4.550 -0.002 0.000 0.330 670 Y C 0.860 176.780 175.900 0.033 0.000 1.156 670 Y CA 0.272 58.371 58.100 -0.000 0.000 1.419 670 Y CB 0.659 39.115 38.460 -0.006 0.000 1.250 670 Y HN 0.328 nan 8.280 nan 0.000 0.540 671 Q N 5.898 125.348 119.800 -0.583 0.000 2.300 671 Q HA 0.239 4.578 4.340 -0.003 0.000 0.262 671 Q C 0.793 176.576 176.000 -0.361 0.000 1.109 671 Q CA 0.227 55.827 55.803 -0.338 0.000 0.905 671 Q CB 0.800 29.439 28.738 -0.165 0.000 1.280 671 Q HN 1.009 nan 8.270 nan 0.000 0.426 672 A N 4.073 126.884 122.820 -0.015 0.000 1.978 672 A HA -0.210 4.109 4.320 -0.003 0.000 0.220 672 A C 1.295 178.971 177.584 0.153 0.000 1.170 672 A CA 1.783 53.916 52.037 0.162 0.000 0.636 672 A CB -0.308 18.773 19.000 0.137 0.000 0.810 672 A HN 0.964 nan 8.150 nan 0.000 0.448 673 D N -1.518 118.935 120.400 0.089 0.000 2.378 673 D HA -0.053 4.585 4.640 -0.003 0.000 0.227 673 D C 0.432 176.823 176.300 0.152 0.000 1.012 673 D CA 0.688 54.758 54.000 0.117 0.000 0.905 673 D CB -1.127 39.730 40.800 0.095 0.000 0.895 673 D HN 0.632 nan 8.370 nan 0.000 0.532 674 N N -1.226 117.550 118.700 0.126 0.000 2.936 674 N HA -0.227 4.512 4.740 -0.003 0.000 0.236 674 N C -0.201 175.419 175.510 0.183 0.000 0.930 674 N CA 0.980 54.146 53.050 0.194 0.000 0.966 674 N CB -1.231 37.439 38.487 0.305 0.000 1.090 674 N HN 0.330 nan 8.380 nan 0.000 0.592 675 Q N 0.356 120.234 119.800 0.130 0.000 2.268 675 Q HA 0.099 4.438 4.340 -0.003 0.000 0.289 675 Q C -0.373 175.699 176.000 0.120 0.000 0.893 675 Q CA -0.350 55.536 55.803 0.139 0.000 1.057 675 Q CB 0.200 29.005 28.738 0.111 0.000 1.173 675 Q HN 0.403 nan 8.270 nan 0.000 0.449 676 H N 0.859 119.943 119.070 0.023 0.000 3.001 676 H HA -0.042 4.512 4.556 -0.003 0.000 0.334 676 H C 1.247 176.648 175.328 0.122 0.000 1.034 676 H CA 0.910 56.991 56.048 0.055 0.000 1.420 676 H CB 0.660 30.435 29.762 0.021 0.000 1.405 676 H HN 0.125 nan 8.280 nan 0.000 0.593 677 R N 2.400 122.622 120.500 -0.463 0.000 2.075 677 R HA -0.089 4.250 4.340 -0.003 0.000 0.232 677 R C 0.049 176.256 176.300 -0.155 0.000 1.126 677 R CA 0.918 56.843 56.100 -0.292 0.000 0.963 677 R CB -0.050 30.088 30.300 -0.270 0.000 0.858 677 R HN 0.732 nan 8.270 nan 0.000 0.435 678 H N -0.642 118.315 119.070 -0.189 0.000 2.615 678 H HA 0.166 4.721 4.556 -0.003 0.000 0.363 678 H C -0.171 175.320 175.328 0.272 0.000 1.148 678 H CA 0.554 56.753 56.048 0.253 0.000 1.401 678 H CB 1.010 30.937 29.762 0.275 0.000 1.461 678 H HN 0.081 nan 8.280 nan 0.000 0.588 679 M N 1.790 121.627 119.600 0.395 0.000 2.952 679 M HA 0.157 4.635 4.480 -0.003 0.000 0.259 679 M C 0.479 176.936 176.300 0.261 0.000 1.306 679 M CA -0.081 55.414 55.300 0.326 0.000 0.626 679 M CB 1.007 33.718 32.600 0.185 0.000 1.423 679 M HN 0.469 nan 8.290 nan 0.000 0.459 680 S N 0.085 115.935 115.700 0.250 0.000 2.447 680 S HA -0.111 4.357 4.470 -0.003 0.000 0.233 680 S C 1.690 176.359 174.600 0.115 0.000 1.006 680 S CA 1.205 59.447 58.200 0.069 0.000 0.957 680 S CB -0.370 62.668 63.200 -0.270 0.000 0.773 680 S HN 0.679 nan 8.310 nan 0.000 0.507 681 H N 0.381 119.378 119.070 -0.121 0.000 2.547 681 H HA 0.255 4.810 4.556 -0.003 0.000 0.266 681 H C 1.001 176.242 175.328 -0.144 0.000 0.988 681 H CA 0.148 56.091 56.048 -0.175 0.000 1.147 681 H CB -0.491 29.095 29.762 -0.294 0.000 1.365 681 H HN 0.356 nan 8.280 nan 0.000 0.589 682 L N 0.991 122.008 121.223 -0.342 0.000 2.769 682 L HA 0.196 4.535 4.340 -0.003 0.000 0.240 682 L C 1.650 178.426 176.870 -0.156 0.000 1.163 682 L CA -0.100 54.550 54.840 -0.318 0.000 0.962 682 L CB 0.209 42.059 42.059 -0.348 0.000 1.258 682 L HN 0.121 nan 8.230 nan 0.000 0.513 683 L N -0.027 121.108 121.223 -0.146 0.000 2.275 683 L HA -0.062 4.277 4.340 -0.003 0.000 0.215 683 L C 2.459 179.218 176.870 -0.185 0.000 1.119 683 L CA 1.149 55.883 54.840 -0.177 0.000 0.790 683 L CB -0.700 41.130 42.059 -0.382 0.000 0.919 683 L HN 0.388 nan 8.230 nan 0.000 0.443 684 G N 0.255 108.945 108.800 -0.184 0.000 2.484 684 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.218 684 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.218 684 G C 1.556 176.382 174.900 -0.123 0.000 1.130 684 G CA 0.347 45.346 45.100 -0.168 0.000 0.784 684 G HN 0.253 nan 8.290 nan 0.000 0.543 685 L N -1.485 119.671 121.223 -0.112 0.000 2.102 685 L HA 0.504 4.842 4.340 -0.003 0.000 0.202 685 L C 0.126 177.011 176.870 0.024 0.000 1.076 685 L CA 0.896 55.701 54.840 -0.057 0.000 0.761 685 L CB 0.061 42.065 42.059 -0.092 0.000 0.921 685 L HN 0.082 nan 8.230 nan 0.000 0.444 686 F N 0.077 119.953 119.950 -0.123 0.000 2.588 686 F HA 0.463 4.989 4.527 -0.002 0.000 0.318 686 F C -2.193 173.536 175.800 -0.119 0.000 1.155 686 F CA -1.675 56.238 58.000 -0.145 0.000 0.967 686 F CB 1.596 40.486 39.000 -0.183 0.000 1.236 686 F HN -0.170 nan 8.300 nan 0.000 0.455 687 P HA 0.168 nan 4.420 nan 0.000 0.245 687 P C 0.688 177.657 177.300 -0.551 0.000 1.206 687 P CA 0.407 62.657 63.100 -1.416 0.000 0.781 687 P CB 0.332 31.434 31.700 -0.996 0.000 0.994 688 G N 1.907 110.542 108.800 -0.275 0.000 2.631 688 G HA2 0.112 4.070 3.960 -0.003 0.000 0.271 688 G HA3 0.112 4.070 3.960 -0.003 0.000 0.271 688 G C 0.134 175.013 174.900 -0.035 0.000 1.302 688 G CA 0.058 45.101 45.100 -0.096 0.000 1.002 688 G HN 0.175 nan 8.290 nan 0.000 0.519 689 D N -1.321 119.127 120.400 0.080 0.000 2.599 689 D HA 0.042 4.681 4.640 -0.003 0.000 0.249 689 D C 1.488 177.872 176.300 0.140 0.000 1.313 689 D CA -0.515 53.548 54.000 0.106 0.000 0.815 689 D CB 0.231 41.103 40.800 0.120 0.000 1.077 689 D HN 0.176 nan 8.370 nan 0.000 0.492 690 L N 0.176 121.413 121.223 0.023 0.000 2.179 690 L HA 0.349 4.687 4.340 -0.003 0.000 0.208 690 L C 0.250 177.086 176.870 -0.056 0.000 1.096 690 L CA 1.246 55.944 54.840 -0.237 0.000 0.779 690 L CB -0.009 41.749 42.059 -0.500 0.000 0.922 690 L HN 0.080 nan 8.230 nan 0.000 0.443 691 I N 0.219 120.777 120.570 -0.021 0.000 2.439 691 I HA 0.311 4.479 4.170 -0.003 0.000 0.283 691 I C -0.386 175.750 176.117 0.032 0.000 1.023 691 I CA -0.306 61.019 61.300 0.042 0.000 1.100 691 I CB 1.392 39.368 38.000 -0.039 0.000 1.238 691 I HN 0.093 nan 8.210 nan 0.000 0.445 692 T N 1.642 116.228 114.554 0.054 0.000 2.865 692 T HA 0.400 4.748 4.350 -0.003 0.000 0.294 692 T C 0.631 175.365 174.700 0.057 0.000 1.119 692 T CA -0.655 61.478 62.100 0.054 0.000 1.007 692 T CB 1.880 70.792 68.868 0.073 0.000 1.225 692 T HN 0.317 nan 8.240 nan 0.000 0.515 693 I N 0.743 121.358 120.570 0.075 0.000 2.530 693 I HA -0.079 4.090 4.170 -0.003 0.000 0.257 693 I C 1.487 177.646 176.117 0.070 0.000 1.179 693 I CA 1.528 62.875 61.300 0.078 0.000 1.440 693 I CB -0.433 37.631 38.000 0.107 0.000 1.087 693 I HN 0.676 nan 8.210 nan 0.000 0.440 694 D N 0.162 120.613 120.400 0.085 0.000 2.349 694 D HA -0.054 4.584 4.640 -0.003 0.000 0.224 694 D C 0.392 176.669 176.300 -0.037 0.000 1.029 694 D CA 0.343 54.361 54.000 0.030 0.000 0.879 694 D CB -0.165 40.682 40.800 0.078 0.000 0.906 694 D HN 0.297 nan 8.370 nan 0.000 0.528 695 N N 0.458 119.139 118.700 -0.031 0.000 2.682 695 N HA 0.061 4.800 4.740 -0.003 0.000 0.252 695 N C 0.412 175.895 175.510 -0.045 0.000 1.081 695 N CA -0.192 52.803 53.050 -0.091 0.000 0.844 695 N CB 1.273 39.659 38.487 -0.168 0.000 1.167 695 N HN -0.354 nan 8.380 nan 0.000 0.523 696 S N 1.677 117.352 115.700 -0.042 0.000 2.382 696 S HA -0.152 4.316 4.470 -0.003 0.000 0.228 696 S C 1.471 176.078 174.600 0.012 0.000 1.027 696 S CA 0.973 59.167 58.200 -0.010 0.000 0.991 696 S CB 0.015 63.205 63.200 -0.016 0.000 0.823 696 S HN 0.754 nan 8.310 nan 0.000 0.469 697 E N -0.120 120.078 120.200 -0.004 0.000 2.038 697 E HA -0.204 4.144 4.350 -0.003 0.000 0.195 697 E C 1.626 178.337 176.600 0.185 0.000 1.000 697 E CA 1.332 57.765 56.400 0.056 0.000 0.803 697 E CB -0.169 29.541 29.700 0.017 0.000 0.750 697 E HN 0.510 nan 8.360 nan 0.000 0.448 698 Y N -0.235 120.037 120.300 -0.047 0.000 2.220 698 Y HA -0.117 4.431 4.550 -0.003 0.000 0.291 698 Y C 2.271 178.131 175.900 -0.067 0.000 1.129 698 Y CA 1.146 59.207 58.100 -0.064 0.000 1.161 698 Y CB -0.803 37.605 38.460 -0.086 0.000 0.997 698 Y HN 0.218 nan 8.280 nan 0.000 0.522 699 M N 0.543 120.209 119.600 0.110 0.000 2.117 699 M HA -0.157 4.321 4.480 -0.003 0.000 0.262 699 M C 1.394 177.694 176.300 -0.000 0.000 1.065 699 M CA 1.678 56.995 55.300 0.027 0.000 1.114 699 M CB -0.587 32.026 32.600 0.021 0.000 1.361 699 M HN -0.004 nan 8.290 nan 0.000 0.408 700 D N 0.143 120.556 120.400 0.021 0.000 2.117 700 D HA -0.092 4.546 4.640 -0.003 0.000 0.197 700 D C 1.971 178.275 176.300 0.006 0.000 0.987 700 D CA 1.777 55.785 54.000 0.013 0.000 0.829 700 D CB -0.417 40.398 40.800 0.024 0.000 0.961 700 D HN 0.497 nan 8.370 nan 0.000 0.460 701 A N 0.896 123.726 122.820 0.017 0.000 1.898 701 A HA 0.009 4.327 4.320 -0.003 0.000 0.216 701 A C 2.302 179.866 177.584 -0.033 0.000 1.181 701 A CA 2.020 54.060 52.037 0.005 0.000 0.620 701 A CB -0.637 18.362 19.000 -0.002 0.000 0.819 701 A HN 0.229 nan 8.150 nan 0.000 0.442 702 A N -0.078 122.696 122.820 -0.078 0.000 1.902 702 A HA -0.150 4.169 4.320 -0.003 0.000 0.217 702 A C 2.095 179.564 177.584 -0.191 0.000 1.181 702 A CA 1.809 53.757 52.037 -0.148 0.000 0.623 702 A CB -0.411 18.488 19.000 -0.168 0.000 0.818 702 A HN 0.539 nan 8.150 nan 0.000 0.443 703 K N -0.859 119.437 120.400 -0.174 0.000 2.057 703 K HA -0.097 4.222 4.320 -0.003 0.000 0.207 703 K C 2.111 178.654 176.600 -0.096 0.000 1.049 703 K CA 1.749 57.903 56.287 -0.221 0.000 0.931 703 K CB -0.401 32.035 32.500 -0.107 0.000 0.714 703 K HN 0.463 nan 8.250 nan 0.000 0.440 704 T N 0.670 115.213 114.554 -0.018 0.000 2.684 704 T HA -0.135 4.213 4.350 -0.003 0.000 0.267 704 T C 2.073 176.877 174.700 0.174 0.000 1.036 704 T CA 1.632 63.767 62.100 0.058 0.000 1.148 704 T CB -0.229 68.703 68.868 0.107 0.000 0.863 704 T HN 0.144 nan 8.240 nan 0.000 0.436 705 S N 1.254 117.038 115.700 0.140 0.000 2.359 705 S HA -0.017 4.451 4.470 -0.003 0.000 0.224 705 S C 2.043 176.751 174.600 0.180 0.000 1.035 705 S CA 0.977 59.296 58.200 0.198 0.000 1.018 705 S CB -0.521 62.722 63.200 0.072 0.000 0.876 705 S HN 0.344 nan 8.310 nan 0.000 0.448 706 L N 0.814 122.040 121.223 0.005 0.000 2.046 706 L HA -0.119 4.220 4.340 -0.003 0.000 0.208 706 L C 2.755 179.843 176.870 0.363 0.000 1.077 706 L CA 1.243 56.090 54.840 0.012 0.000 0.747 706 L CB -0.414 41.294 42.059 -0.585 0.000 0.896 706 L HN 0.234 nan 8.230 nan 0.000 0.432 707 R N -1.133 119.565 120.500 0.330 0.000 2.073 707 R HA -0.184 4.154 4.340 -0.003 0.000 0.234 707 R C 2.330 178.816 176.300 0.310 0.000 1.134 707 R CA 1.619 57.943 56.100 0.374 0.000 0.952 707 R CB -0.504 29.778 30.300 -0.030 0.000 0.850 707 R HN 0.251 nan 8.270 nan 0.000 0.433 708 Y N 0.586 121.033 120.300 0.245 0.000 2.181 708 Y HA -0.171 4.377 4.550 -0.003 0.000 0.288 708 Y C 2.556 178.605 175.900 0.249 0.000 1.146 708 Y CA 1.274 59.509 58.100 0.226 0.000 1.164 708 Y CB -0.070 38.508 38.460 0.198 0.000 0.982 708 Y HN -0.095 nan 8.280 nan 0.000 0.515 709 R N -1.422 119.324 120.500 0.410 0.000 2.115 709 R HA -0.065 4.274 4.340 -0.003 0.000 0.226 709 R C 1.842 178.292 176.300 0.249 0.000 1.100 709 R CA 1.222 57.505 56.100 0.305 0.000 0.980 709 R CB -1.057 29.405 30.300 0.270 0.000 0.875 709 R HN 0.330 nan 8.270 nan 0.000 0.445 710 C N -1.011 118.479 119.300 0.317 0.000 2.912 710 C HA 0.365 4.824 4.460 -0.003 0.000 0.274 710 C C 0.363 175.312 174.990 -0.067 0.000 1.248 710 C CA -0.579 58.532 59.018 0.155 0.000 1.694 710 C CB -0.524 27.376 27.740 0.266 0.000 2.024 710 C HN 0.055 nan 8.230 nan 0.000 0.605 711 F N 0.953 120.956 119.950 0.088 0.000 2.522 711 F HA 0.408 4.933 4.527 -0.003 0.000 0.324 711 F C 0.169 175.998 175.800 0.050 0.000 1.077 711 F CA -0.668 57.355 58.000 0.038 0.000 0.944 711 F CB 1.020 40.030 39.000 0.017 0.000 1.175 711 F HN -0.254 nan 8.300 nan 0.000 0.468 712 K N 2.450 122.965 120.400 0.191 0.000 2.389 712 K HA 0.538 4.856 4.320 -0.003 0.000 0.261 712 K C 0.534 177.221 176.600 0.145 0.000 1.014 712 K CA 0.195 56.567 56.287 0.142 0.000 0.920 712 K CB 0.792 33.339 32.500 0.078 0.000 1.149 712 K HN 0.865 nan 8.250 nan 0.000 0.444 713 G N 4.041 112.922 108.800 0.135 0.000 2.591 713 G HA2 -0.360 3.599 3.960 -0.003 0.000 0.298 713 G HA3 -0.360 3.599 3.960 -0.003 0.000 0.298 713 G C 0.297 175.263 174.900 0.110 0.000 1.195 713 G CA 0.353 45.511 45.100 0.097 0.000 0.989 713 G HN 0.692 nan 8.290 nan 0.000 0.551 714 N N 0.378 119.137 118.700 0.098 0.000 2.268 714 N HA 0.331 5.069 4.740 -0.003 0.000 0.204 714 N C 0.026 175.700 175.510 0.274 0.000 1.124 714 N CA 0.549 53.663 53.050 0.107 0.000 0.838 714 N CB 0.812 39.313 38.487 0.024 0.000 0.994 714 N HN 0.453 nan 8.380 nan 0.000 0.489 715 V N 1.897 121.969 119.914 0.264 0.000 2.350 715 V HA 0.234 4.353 4.120 -0.003 0.000 0.276 715 V C 0.141 176.229 176.094 -0.009 0.000 1.028 715 V CA -1.090 61.291 62.300 0.136 0.000 0.860 715 V CB 1.415 33.265 31.823 0.044 0.000 0.990 715 V HN 0.078 nan 8.190 nan 0.000 0.453 716 L N 5.876 126.919 121.223 -0.300 0.000 2.513 716 L HA 0.203 4.542 4.340 -0.003 0.000 0.272 716 L C 0.349 176.953 176.870 -0.443 0.000 1.187 716 L CA 0.843 55.170 54.840 -0.855 0.000 0.895 716 L CB 0.410 41.977 42.059 -0.820 0.000 1.147 716 L HN 0.600 nan 8.230 nan 0.000 0.483 717 Q N 3.369 122.923 119.800 -0.410 0.000 2.235 717 Q HA 0.264 4.603 4.340 -0.003 0.000 0.250 717 Q C -0.074 175.789 176.000 -0.228 0.000 0.909 717 Q CA -0.236 55.428 55.803 -0.233 0.000 0.910 717 Q CB 1.584 30.233 28.738 -0.150 0.000 1.223 717 Q HN 0.778 nan 8.270 nan 0.000 0.432 718 S N 1.595 117.186 115.700 -0.182 0.000 2.584 718 S HA 0.273 4.741 4.470 -0.003 0.000 0.270 718 S C -0.181 174.302 174.600 -0.194 0.000 1.346 718 S CA 0.007 58.098 58.200 -0.183 0.000 1.018 718 S CB 0.418 63.528 63.200 -0.150 0.000 0.899 718 S HN 0.695 nan 8.310 nan 0.000 0.542 719 N N -1.173 117.390 118.700 -0.228 0.000 3.344 719 N HA 0.599 5.337 4.740 -0.003 0.000 0.296 719 N C -1.732 173.577 175.510 -0.335 0.000 1.571 719 N CA -0.444 52.438 53.050 -0.279 0.000 0.844 719 N CB 1.907 40.213 38.487 -0.301 0.000 1.718 719 N HN 0.748 nan 8.380 nan 0.000 0.589 720 T N -2.073 112.225 114.554 -0.428 0.000 2.865 720 T HA 0.725 5.073 4.350 -0.003 0.000 0.294 720 T C 0.712 175.113 174.700 -0.499 0.000 1.119 720 T CA -0.048 61.769 62.100 -0.471 0.000 1.007 720 T CB 1.104 69.683 68.868 -0.482 0.000 1.225 720 T HN 0.924 nan 8.240 nan 0.000 0.515 721 G N 1.278 109.851 108.800 -0.378 0.000 2.614 721 G HA2 -0.334 3.625 3.960 -0.003 0.000 0.303 721 G HA3 -0.334 3.625 3.960 -0.003 0.000 0.303 721 G C 1.015 175.785 174.900 -0.216 0.000 1.270 721 G CA 0.937 45.894 45.100 -0.239 0.000 0.988 721 G HN 1.484 nan 8.290 nan 0.000 0.551 722 W N 0.401 121.649 121.300 -0.087 0.000 2.392 722 W HA 0.188 4.846 4.660 -0.003 0.000 0.279 722 W C 2.318 178.812 176.519 -0.041 0.000 1.225 722 W CA 2.225 59.522 57.345 -0.080 0.000 1.233 722 W CB -1.448 27.944 29.460 -0.112 0.000 1.122 722 W HN 0.911 nan 8.180 nan 0.000 0.561 723 A N 1.656 123.931 122.820 -0.909 0.000 1.873 723 A HA -0.118 4.200 4.320 -0.003 0.000 0.215 723 A C 2.089 179.503 177.584 -0.283 0.000 1.186 723 A CA 1.841 53.401 52.037 -0.795 0.000 0.616 723 A CB -0.940 17.346 19.000 -1.189 0.000 0.823 723 A HN 0.210 nan 8.150 nan 0.000 0.442 724 I N 0.222 120.616 120.570 -0.293 0.000 2.315 724 I HA -0.081 4.087 4.170 -0.003 0.000 0.248 724 I C 2.329 178.421 176.117 -0.043 0.000 1.117 724 I CA 1.414 62.615 61.300 -0.166 0.000 1.404 724 I CB -0.651 37.221 38.000 -0.213 0.000 1.071 724 I HN 0.238 nan 8.210 nan 0.000 0.419 725 G N -0.628 108.177 108.800 0.008 0.000 2.446 725 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.217 725 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.217 725 G C 1.583 176.633 174.900 0.249 0.000 1.168 725 G CA 0.908 46.090 45.100 0.137 0.000 0.771 725 G HN 0.520 nan 8.290 nan 0.000 0.551 726 Q N -0.023 119.975 119.800 0.331 0.000 2.084 726 Q HA -0.095 4.244 4.340 -0.003 0.000 0.202 726 Q C 2.743 178.842 176.000 0.166 0.000 0.978 726 Q CA 1.159 57.201 55.803 0.398 0.000 0.844 726 Q CB -0.096 28.954 28.738 0.520 0.000 0.898 726 Q HN 0.455 nan 8.270 nan 0.000 0.426 727 R N -0.073 120.509 120.500 0.137 0.000 2.081 727 R HA -0.089 4.250 4.340 -0.003 0.000 0.235 727 R C 2.365 178.778 176.300 0.188 0.000 1.131 727 R CA 1.489 57.692 56.100 0.172 0.000 0.960 727 R CB -0.290 30.100 30.300 0.151 0.000 0.856 727 R HN 0.336 nan 8.270 nan 0.000 0.436 728 I N 1.173 121.789 120.570 0.076 0.000 2.127 728 I HA -0.331 3.837 4.170 -0.003 0.000 0.241 728 I C 1.998 178.097 176.117 -0.031 0.000 1.075 728 I CA 1.338 62.661 61.300 0.039 0.000 1.334 728 I CB -0.398 37.611 38.000 0.016 0.000 1.040 728 I HN 0.235 nan 8.210 nan 0.000 0.405 729 N N 0.302 118.869 118.700 -0.222 0.000 2.166 729 N HA -0.127 4.611 4.740 -0.003 0.000 0.186 729 N C 2.023 177.201 175.510 -0.553 0.000 1.019 729 N CA 1.569 54.216 53.050 -0.672 0.000 0.856 729 N CB -0.096 37.401 38.487 -1.650 0.000 0.993 729 N HN 0.284 nan 8.380 nan 0.000 0.426 730 S N 0.238 115.764 115.700 -0.290 0.000 2.356 730 S HA -0.107 4.362 4.470 -0.003 0.000 0.223 730 S C 1.614 176.156 174.600 -0.098 0.000 1.032 730 S CA 0.842 58.974 58.200 -0.114 0.000 1.005 730 S CB -0.410 62.738 63.200 -0.087 0.000 0.867 730 S HN 0.460 nan 8.310 nan 0.000 0.449 731 W N 1.810 123.076 121.300 -0.057 0.000 2.363 731 W HA -0.011 4.647 4.660 -0.002 0.000 0.296 731 W C 2.693 179.193 176.519 -0.033 0.000 1.212 731 W CA 0.730 58.059 57.345 -0.028 0.000 1.260 731 W CB -0.511 28.933 29.460 -0.026 0.000 1.131 731 W HN 0.296 nan 8.180 nan 0.000 0.530 732 A N 0.385 123.292 122.820 0.145 0.000 1.908 732 A HA -0.210 4.109 4.320 -0.003 0.000 0.218 732 A C 2.032 179.660 177.584 0.073 0.000 1.181 732 A CA 1.436 53.522 52.037 0.081 0.000 0.627 732 A CB -0.586 18.429 19.000 0.026 0.000 0.818 732 A HN 0.115 nan 8.150 nan 0.000 0.445 733 R N -0.118 120.418 120.500 0.060 0.000 2.193 733 R HA -0.093 4.245 4.340 -0.003 0.000 0.229 733 R C 2.201 178.527 176.300 0.043 0.000 1.110 733 R CA 1.700 57.842 56.100 0.069 0.000 0.988 733 R CB -1.395 28.967 30.300 0.103 0.000 0.871 733 R HN 0.799 nan 8.270 nan 0.000 0.458 734 T N -3.342 111.231 114.554 0.031 0.000 3.055 734 T HA 0.072 4.420 4.350 -0.003 0.000 0.265 734 T C 1.487 176.230 174.700 0.073 0.000 1.111 734 T CA 1.080 63.195 62.100 0.025 0.000 1.118 734 T CB 0.175 69.037 68.868 -0.010 0.000 0.909 734 T HN 0.388 nan 8.240 nan 0.000 0.501 735 G N 1.251 110.102 108.800 0.085 0.000 2.199 735 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.254 735 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.254 735 G C -0.036 174.914 174.900 0.084 0.000 0.982 735 G CA 0.134 45.278 45.100 0.073 0.000 0.632 735 G HN 0.694 nan 8.290 nan 0.000 0.529 736 D N 1.242 121.734 120.400 0.153 0.000 2.517 736 D HA 0.473 5.111 4.640 -0.003 0.000 0.220 736 D C 1.704 178.058 176.300 0.091 0.000 1.158 736 D CA 0.515 54.609 54.000 0.157 0.000 0.992 736 D CB 0.041 41.027 40.800 0.310 0.000 1.058 736 D HN 0.227 nan 8.370 nan 0.000 0.516 737 G N 3.397 112.202 108.800 0.009 0.000 2.432 737 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.219 737 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.219 737 G C 1.536 176.380 174.900 -0.094 0.000 1.135 737 G CA 0.133 45.194 45.100 -0.064 0.000 0.767 737 G HN 0.382 nan 8.290 nan 0.000 0.550 738 N N 0.588 119.244 118.700 -0.074 0.000 2.106 738 N HA -0.082 4.657 4.740 -0.003 0.000 0.188 738 N C 2.382 177.839 175.510 -0.089 0.000 1.029 738 N CA 1.671 54.678 53.050 -0.071 0.000 0.848 738 N CB -0.808 37.646 38.487 -0.056 0.000 1.007 738 N HN 0.198 nan 8.380 nan 0.000 0.423 739 T N 0.584 115.044 114.554 -0.158 0.000 2.777 739 T HA -0.070 4.279 4.350 -0.003 0.000 0.266 739 T C 1.894 176.374 174.700 -0.367 0.000 1.040 739 T CA 1.518 63.395 62.100 -0.371 0.000 1.141 739 T CB -0.509 67.913 68.868 -0.742 0.000 0.868 739 T HN 0.304 nan 8.240 nan 0.000 0.444 740 T N 1.154 115.603 114.554 -0.175 0.000 2.684 740 T HA -0.146 4.203 4.350 -0.003 0.000 0.267 740 T C 1.637 176.261 174.700 -0.127 0.000 1.036 740 T CA 1.440 63.489 62.100 -0.086 0.000 1.148 740 T CB -0.563 68.316 68.868 0.018 0.000 0.863 740 T HN 0.488 nan 8.240 nan 0.000 0.436 741 Y N 1.869 122.021 120.300 -0.248 0.000 2.181 741 Y HA -0.163 4.385 4.550 -0.003 0.000 0.288 741 Y C 2.539 178.331 175.900 -0.181 0.000 1.146 741 Y CA 1.342 59.275 58.100 -0.278 0.000 1.164 741 Y CB -0.481 37.714 38.460 -0.441 0.000 0.982 741 Y HN 0.238 nan 8.280 nan 0.000 0.515 742 Q N -0.112 119.498 119.800 -0.317 0.000 2.181 742 Q HA -0.192 4.146 4.340 -0.003 0.000 0.205 742 Q C 2.261 178.041 176.000 -0.368 0.000 0.980 742 Q CA 1.857 57.444 55.803 -0.359 0.000 0.862 742 Q CB -0.222 28.369 28.738 -0.245 0.000 0.905 742 Q HN 0.536 nan 8.270 nan 0.000 0.429 743 L N -0.492 120.529 121.223 -0.336 0.000 2.109 743 L HA -0.151 4.187 4.340 -0.003 0.000 0.207 743 L C 2.290 179.026 176.870 -0.223 0.000 1.086 743 L CA 0.527 55.205 54.840 -0.270 0.000 0.760 743 L CB -0.328 41.595 42.059 -0.227 0.000 0.910 743 L HN 0.071 nan 8.230 nan 0.000 0.437 744 V N -0.082 119.691 119.914 -0.235 0.000 2.287 744 V HA -0.326 3.792 4.120 -0.003 0.000 0.248 744 V C 2.453 178.432 176.094 -0.191 0.000 1.053 744 V CA 2.005 64.205 62.300 -0.167 0.000 1.027 744 V CB -0.428 31.343 31.823 -0.086 0.000 0.646 744 V HN 0.466 nan 8.190 nan 0.000 0.447 745 E N -0.159 119.834 120.200 -0.345 0.000 2.070 745 E HA -0.244 4.105 4.350 -0.003 0.000 0.197 745 E C 2.193 178.763 176.600 -0.050 0.000 1.004 745 E CA 1.555 57.865 56.400 -0.150 0.000 0.805 745 E CB -0.164 29.331 29.700 -0.342 0.000 0.744 745 E HN 0.543 nan 8.360 nan 0.000 0.451 746 L N 0.386 121.518 121.223 -0.151 0.000 2.093 746 L HA -0.196 4.142 4.340 -0.003 0.000 0.208 746 L C 2.795 179.579 176.870 -0.143 0.000 1.085 746 L CA 1.186 55.944 54.840 -0.138 0.000 0.755 746 L CB -0.368 41.580 42.059 -0.185 0.000 0.904 746 L HN 0.266 nan 8.230 nan 0.000 0.435 747 Q N 0.113 119.818 119.800 -0.159 0.000 2.084 747 Q HA -0.237 4.101 4.340 -0.003 0.000 0.202 747 Q C 2.265 178.160 176.000 -0.175 0.000 0.978 747 Q CA 1.568 57.262 55.803 -0.182 0.000 0.844 747 Q CB 0.031 28.680 28.738 -0.148 0.000 0.898 747 Q HN 0.328 nan 8.270 nan 0.000 0.426 748 L N 0.849 121.988 121.223 -0.139 0.000 2.093 748 L HA -0.141 4.197 4.340 -0.003 0.000 0.208 748 L C 2.141 178.951 176.870 -0.101 0.000 1.085 748 L CA 1.737 56.462 54.840 -0.192 0.000 0.755 748 L CB -0.299 41.506 42.059 -0.425 0.000 0.904 748 L HN 0.107 nan 8.230 nan 0.000 0.435 749 K N -0.876 119.530 120.400 0.010 0.000 2.167 749 K HA 0.033 4.352 4.320 -0.003 0.000 0.203 749 K C 0.982 177.581 176.600 -0.002 0.000 1.052 749 K CA 0.923 57.248 56.287 0.063 0.000 0.956 749 K CB 0.080 32.628 32.500 0.080 0.000 0.735 749 K HN 0.313 nan 8.250 nan 0.000 0.451 750 N N -1.136 117.507 118.700 -0.096 0.000 2.143 750 N HA 0.120 4.858 4.740 -0.003 0.000 0.222 750 N C -0.123 175.126 175.510 -0.435 0.000 1.264 750 N CA 0.215 53.181 53.050 -0.140 0.000 0.897 750 N CB 1.983 40.387 38.487 -0.139 0.000 1.092 750 N HN 0.015 nan 8.380 nan 0.000 0.516 751 A N 0.145 122.620 122.820 -0.575 0.000 2.538 751 A HA 0.396 4.715 4.320 -0.003 0.000 0.276 751 A C -0.283 176.848 177.584 -0.754 0.000 0.908 751 A CA -0.143 51.221 52.037 -1.121 0.000 1.042 751 A CB 0.443 19.020 19.000 -0.704 0.000 1.218 751 A HN -0.052 nan 8.150 nan 0.000 0.517 752 M N 0.802 120.224 119.600 -0.296 0.000 2.259 752 M HA 0.472 4.950 4.480 -0.003 0.000 0.304 752 M C -1.169 175.247 176.300 0.194 0.000 1.019 752 M CA -0.567 54.711 55.300 -0.037 0.000 0.922 752 M CB 1.085 33.653 32.600 -0.054 0.000 1.600 752 M HN 0.250 nan 8.290 nan 0.000 0.433 753 Y N 0.647 121.093 120.300 0.243 0.000 2.260 753 Y HA 0.342 4.890 4.550 -0.003 0.000 0.339 753 Y C 1.621 177.494 175.900 -0.046 0.000 1.317 753 Y CA -0.080 58.054 58.100 0.056 0.000 1.514 753 Y CB 0.263 38.697 38.460 -0.043 0.000 1.382 753 Y HN 0.813 nan 8.280 nan 0.000 0.581 754 A N 0.907 123.771 122.820 0.073 0.000 2.019 754 A HA -0.223 4.096 4.320 -0.003 0.000 0.219 754 A C 1.513 179.068 177.584 -0.048 0.000 1.164 754 A CA 1.772 53.803 52.037 -0.010 0.000 0.644 754 A CB -0.957 18.003 19.000 -0.066 0.000 0.805 754 A HN 0.782 nan 8.150 nan 0.000 0.449 755 N N -0.007 118.566 118.700 -0.211 0.000 2.370 755 N HA 0.135 4.873 4.740 -0.003 0.000 0.198 755 N C 0.402 175.722 175.510 -0.317 0.000 1.156 755 N CA 0.472 53.302 53.050 -0.366 0.000 0.839 755 N CB -0.555 37.504 38.487 -0.713 0.000 0.989 755 N HN 0.482 nan 8.380 nan 0.000 0.468 756 L N -1.689 119.459 121.223 -0.125 0.000 4.429 756 L HA -0.219 4.119 4.340 -0.003 0.000 0.422 756 L C -0.695 176.352 176.870 0.295 0.000 1.149 756 L CA 0.282 55.116 54.840 -0.010 0.000 0.972 756 L CB -2.183 39.725 42.059 -0.252 0.000 2.059 756 L HN 0.036 nan 8.230 nan 0.000 0.870 757 F N 1.887 121.876 119.950 0.065 0.000 2.495 757 F HA 0.176 4.702 4.527 -0.003 0.000 0.365 757 F C 1.287 177.108 175.800 0.035 0.000 1.090 757 F CA -0.756 57.239 58.000 -0.008 0.000 1.235 757 F CB 0.413 39.223 39.000 -0.317 0.000 1.119 757 F HN 0.050 nan 8.300 nan 0.000 0.562 758 D N 3.285 123.827 120.400 0.236 0.000 2.414 758 D HA 0.185 4.823 4.640 -0.003 0.000 0.242 758 D C -0.953 175.375 176.300 0.046 0.000 1.129 758 D CA 0.216 54.234 54.000 0.030 0.000 0.885 758 D CB 0.364 41.147 40.800 -0.030 0.000 1.198 758 D HN 0.375 nan 8.370 nan 0.000 0.437 759 Y N 0.883 121.027 120.300 -0.259 0.000 2.545 759 Y HA 0.355 4.904 4.550 -0.003 0.000 0.348 759 Y C 0.151 175.977 175.900 -0.123 0.000 1.002 759 Y CA -0.948 56.991 58.100 -0.268 0.000 1.039 759 Y CB 1.165 39.164 38.460 -0.768 0.000 1.271 759 Y HN 0.528 nan 8.280 nan 0.000 0.467 760 H N 2.075 121.222 119.070 0.127 0.000 2.451 760 H HA 0.421 4.975 4.556 -0.003 0.000 0.294 760 H C 0.317 175.742 175.328 0.163 0.000 1.028 760 H CA 0.974 57.062 56.048 0.067 0.000 1.349 760 H CB 0.193 30.036 29.762 0.135 0.000 1.444 760 H HN 0.885 nan 8.280 nan 0.000 0.538 761 A N 2.604 125.683 122.820 0.432 0.000 2.296 761 A HA 0.357 4.675 4.320 -0.003 0.000 0.264 761 A C -1.900 175.995 177.584 0.519 0.000 1.097 761 A CA -1.031 51.297 52.037 0.486 0.000 0.811 761 A CB 0.158 19.336 19.000 0.297 0.000 1.072 761 A HN 0.307 nan 8.150 nan 0.000 0.495 762 P HA 0.210 nan 4.420 nan 0.000 0.323 762 P C -0.034 177.474 177.300 0.347 0.000 1.309 762 P CA -0.572 62.693 63.100 0.275 0.000 0.739 762 P CB 0.143 31.923 31.700 0.134 0.000 1.454 763 F N 0.975 121.035 119.950 0.185 0.000 2.604 763 F HA 0.017 4.542 4.527 -0.002 0.000 0.393 763 F C -0.200 175.652 175.800 0.086 0.000 1.043 763 F CA 0.757 58.839 58.000 0.136 0.000 1.227 763 F CB -0.382 38.685 39.000 0.111 0.000 1.016 763 F HN 0.072 nan 8.300 nan 0.000 0.556 764 Q N 7.480 127.080 119.800 -0.332 0.000 2.263 764 Q HA 0.248 4.587 4.340 -0.003 0.000 0.266 764 Q C 0.727 176.440 176.000 -0.478 0.000 1.002 764 Q CA -0.407 55.084 55.803 -0.520 0.000 0.790 764 Q CB 1.956 30.585 28.738 -0.181 0.000 1.272 764 Q HN 0.991 nan 8.270 nan 0.000 0.435 765 I N 1.988 122.186 120.570 -0.620 0.000 2.676 765 I HA -0.233 3.935 4.170 -0.003 0.000 0.259 765 I C 1.118 177.059 176.117 -0.293 0.000 1.194 765 I CA 1.172 62.252 61.300 -0.366 0.000 1.473 765 I CB 0.409 38.238 38.000 -0.285 0.000 1.096 765 I HN 0.643 nan 8.210 nan 0.000 0.443 766 D N 0.630 120.938 120.400 -0.153 0.000 2.154 766 D HA -0.258 4.380 4.640 -0.003 0.000 0.190 766 D C 2.109 178.391 176.300 -0.030 0.000 1.003 766 D CA 1.625 55.601 54.000 -0.040 0.000 0.849 766 D CB -1.335 39.425 40.800 -0.066 0.000 0.942 766 D HN 0.335 nan 8.370 nan 0.000 0.446 767 G N -0.358 108.407 108.800 -0.058 0.000 2.448 767 G HA2 -0.298 3.660 3.960 -0.003 0.000 0.219 767 G HA3 -0.298 3.660 3.960 -0.003 0.000 0.219 767 G C 1.549 176.421 174.900 -0.047 0.000 1.127 767 G CA 0.836 45.913 45.100 -0.037 0.000 0.766 767 G HN 0.349 nan 8.290 nan 0.000 0.552 768 N N -0.083 118.530 118.700 -0.146 0.000 2.084 768 N HA -0.072 4.667 4.740 -0.003 0.000 0.190 768 N C 1.783 177.209 175.510 -0.141 0.000 1.030 768 N CA 1.291 54.226 53.050 -0.192 0.000 0.849 768 N CB -0.248 38.005 38.487 -0.390 0.000 1.012 768 N HN 0.288 nan 8.380 nan 0.000 0.423 769 F N 0.454 120.397 119.950 -0.010 0.000 2.186 769 F HA 0.099 4.624 4.527 -0.003 0.000 0.299 769 F C 2.514 178.360 175.800 0.076 0.000 1.090 769 F CA 0.818 58.806 58.000 -0.021 0.000 1.307 769 F CB -1.170 37.760 39.000 -0.116 0.000 1.019 769 F HN 0.054 nan 8.300 nan 0.000 0.489 770 G N -0.208 108.749 108.800 0.261 0.000 2.422 770 G HA2 -0.305 3.653 3.960 -0.003 0.000 0.218 770 G HA3 -0.305 3.653 3.960 -0.003 0.000 0.218 770 G C 1.749 176.797 174.900 0.246 0.000 1.146 770 G CA 0.918 46.211 45.100 0.321 0.000 0.769 770 G HN 0.351 nan 8.290 nan 0.000 0.547 771 N N 0.592 119.392 118.700 0.168 0.000 2.058 771 N HA -0.134 4.604 4.740 -0.003 0.000 0.191 771 N C 2.157 177.814 175.510 0.244 0.000 1.037 771 N CA 1.991 55.141 53.050 0.167 0.000 0.848 771 N CB -0.514 38.046 38.487 0.121 0.000 1.021 771 N HN 0.217 nan 8.380 nan 0.000 0.422 772 T N -0.083 114.596 114.554 0.209 0.000 2.720 772 T HA -0.135 4.214 4.350 -0.003 0.000 0.268 772 T C 2.026 176.914 174.700 0.313 0.000 1.037 772 T CA 1.650 63.858 62.100 0.179 0.000 1.144 772 T CB -0.528 68.306 68.868 -0.057 0.000 0.864 772 T HN 0.312 nan 8.240 nan 0.000 0.444 773 S N 0.520 116.396 115.700 0.293 0.000 2.368 773 S HA -0.050 4.419 4.470 -0.003 0.000 0.225 773 S C 2.383 177.131 174.600 0.247 0.000 1.030 773 S CA 1.670 60.059 58.200 0.314 0.000 0.999 773 S CB -0.867 62.594 63.200 0.436 0.000 0.844 773 S HN 0.594 nan 8.310 nan 0.000 0.459 774 G N 0.777 109.695 108.800 0.198 0.000 2.418 774 G HA2 -0.130 3.828 3.960 -0.003 0.000 0.217 774 G HA3 -0.130 3.828 3.960 -0.003 0.000 0.217 774 G C 1.490 176.497 174.900 0.179 0.000 1.158 774 G CA 1.079 46.246 45.100 0.112 0.000 0.771 774 G HN 0.470 nan 8.290 nan 0.000 0.545 775 V N 1.399 121.486 119.914 0.287 0.000 2.295 775 V HA -0.171 3.948 4.120 -0.003 0.000 0.246 775 V C 2.602 178.849 176.094 0.254 0.000 1.049 775 V CA 2.204 64.697 62.300 0.323 0.000 1.024 775 V CB -0.486 31.565 31.823 0.380 0.000 0.648 775 V HN 0.252 nan 8.190 nan 0.000 0.447 776 D N -0.091 120.495 120.400 0.311 0.000 2.116 776 D HA -0.162 4.477 4.640 -0.003 0.000 0.193 776 D C 2.268 178.680 176.300 0.186 0.000 0.998 776 D CA 1.240 55.393 54.000 0.256 0.000 0.836 776 D CB -0.246 40.732 40.800 0.295 0.000 0.951 776 D HN 0.424 nan 8.370 nan 0.000 0.449 777 E N 0.155 120.461 120.200 0.175 0.000 2.204 777 E HA -0.116 4.232 4.350 -0.003 0.000 0.194 777 E C 2.175 178.829 176.600 0.089 0.000 0.989 777 E CA 0.365 56.846 56.400 0.134 0.000 0.824 777 E CB -0.346 29.423 29.700 0.114 0.000 0.756 777 E HN 0.526 nan 8.360 nan 0.000 0.477 778 M N -0.908 118.746 119.600 0.090 0.000 2.419 778 M HA 0.016 4.495 4.480 -0.003 0.000 0.264 778 M C 1.531 177.834 176.300 0.006 0.000 1.082 778 M CA 1.235 56.561 55.300 0.043 0.000 1.119 778 M CB -0.026 32.583 32.600 0.014 0.000 1.398 778 M HN -0.021 nan 8.290 nan 0.000 0.453 779 L N 0.248 121.493 121.223 0.036 0.000 2.416 779 L HA 0.329 4.668 4.340 -0.003 0.000 0.216 779 L C -0.045 176.822 176.870 -0.005 0.000 1.098 779 L CA -0.119 54.703 54.840 -0.029 0.000 0.840 779 L CB 0.320 42.385 42.059 0.010 0.000 0.981 779 L HN 0.395 nan 8.230 nan 0.000 0.462 780 L N -0.084 121.166 121.223 0.046 0.000 2.588 780 L HA 0.412 4.750 4.340 -0.003 0.000 0.263 780 L C -1.380 175.532 176.870 0.069 0.000 0.935 780 L CA -0.089 54.785 54.840 0.056 0.000 0.891 780 L CB 1.944 44.059 42.059 0.094 0.000 1.318 780 L HN -0.037 nan 8.230 nan 0.000 0.409 781 Q N 1.719 121.535 119.800 0.025 0.000 2.387 781 Q HA 0.776 5.115 4.340 -0.003 0.000 0.273 781 Q C -0.419 175.530 176.000 -0.086 0.000 1.089 781 Q CA -0.112 55.694 55.803 0.004 0.000 0.824 781 Q CB 2.314 31.047 28.738 -0.008 0.000 1.367 781 Q HN 0.706 nan 8.270 nan 0.000 0.443 782 S N -0.917 114.715 115.700 -0.112 0.000 3.088 782 S HA 0.044 4.513 4.470 -0.003 0.000 0.249 782 S C 0.129 174.590 174.600 -0.231 0.000 0.877 782 S CA -0.459 57.615 58.200 -0.210 0.000 1.184 782 S CB -0.130 62.984 63.200 -0.143 0.000 1.170 782 S HN 0.762 nan 8.310 nan 0.000 0.603 783 N N 0.911 119.496 118.700 -0.192 0.000 2.282 783 N HA 0.130 4.868 4.740 -0.003 0.000 0.185 783 N C 0.356 175.798 175.510 -0.113 0.000 1.099 783 N CA -0.047 52.929 53.050 -0.124 0.000 0.878 783 N CB 0.467 38.918 38.487 -0.060 0.000 0.993 783 N HN 0.309 nan 8.380 nan 0.000 0.481 784 S N -0.254 115.309 115.700 -0.228 0.000 2.707 784 S HA 0.489 4.958 4.470 -0.003 0.000 0.276 784 S C -0.575 174.068 174.600 0.072 0.000 1.179 784 S CA -0.179 57.974 58.200 -0.078 0.000 0.992 784 S CB 1.067 64.251 63.200 -0.027 0.000 1.030 784 S HN 0.228 nan 8.310 nan 0.000 0.554 785 T N 2.478 117.200 114.554 0.280 0.000 2.812 785 T HA 0.433 4.781 4.350 -0.003 0.000 0.282 785 T C -1.165 173.808 174.700 0.455 0.000 0.990 785 T CA -0.210 62.116 62.100 0.375 0.000 0.960 785 T CB 0.494 69.487 68.868 0.208 0.000 0.948 785 T HN 0.456 nan 8.240 nan 0.000 0.438 786 F N 2.700 122.834 119.950 0.305 0.000 2.399 786 F HA 0.554 5.079 4.527 -0.002 0.000 0.334 786 F C 0.098 175.984 175.800 0.143 0.000 1.097 786 F CA -0.266 57.771 58.000 0.062 0.000 1.076 786 F CB 1.211 40.021 39.000 -0.316 0.000 1.162 786 F HN 0.383 nan 8.300 nan 0.000 0.495 787 T N 5.166 119.549 114.554 -0.285 0.000 2.815 787 T HA 0.231 4.579 4.350 -0.003 0.000 0.289 787 T C -0.897 173.644 174.700 -0.264 0.000 1.000 787 T CA -0.816 61.210 62.100 -0.122 0.000 0.958 787 T CB 0.760 69.557 68.868 -0.118 0.000 0.944 787 T HN 0.612 nan 8.240 nan 0.000 0.442 788 D N 1.449 121.919 120.400 0.116 0.000 2.398 788 D HA 0.092 4.731 4.640 -0.003 0.000 0.247 788 D C 1.587 177.902 176.300 0.025 0.000 1.227 788 D CA -0.416 53.668 54.000 0.140 0.000 0.980 788 D CB 0.320 41.352 40.800 0.387 0.000 1.106 788 D HN 0.434 nan 8.370 nan 0.000 0.493 789 T N -3.437 111.134 114.554 0.027 0.000 3.007 789 T HA 0.005 4.353 4.350 -0.003 0.000 0.270 789 T C 1.685 176.392 174.700 0.013 0.000 1.107 789 T CA 0.737 62.837 62.100 0.000 0.000 1.118 789 T CB -0.508 68.362 68.868 0.003 0.000 0.889 789 T HN 0.519 nan 8.240 nan 0.000 0.506 790 A N 0.737 123.580 122.820 0.039 0.000 2.208 790 A HA 0.580 4.898 4.320 -0.003 0.000 0.209 790 A C 2.092 179.686 177.584 0.017 0.000 1.161 790 A CA 0.635 52.691 52.037 0.031 0.000 0.782 790 A CB -0.975 18.054 19.000 0.047 0.000 0.816 790 A HN 1.312 nan 8.150 nan 0.000 0.477 791 G N -0.945 107.862 108.800 0.013 0.000 2.176 791 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.232 791 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.232 791 G C 0.248 175.135 174.900 -0.022 0.000 0.986 791 G CA 0.402 45.496 45.100 -0.009 0.000 0.643 791 G HN 0.683 nan 8.290 nan 0.000 0.522 792 K N 1.457 121.852 120.400 -0.007 0.000 2.298 792 K HA 0.559 4.878 4.320 -0.003 0.000 0.280 792 K C 0.403 176.883 176.600 -0.200 0.000 1.032 792 K CA -0.019 56.197 56.287 -0.119 0.000 0.958 792 K CB 0.348 32.780 32.500 -0.113 0.000 0.978 792 K HN 0.261 nan 8.250 nan 0.000 0.472 793 K N 3.656 123.861 120.400 -0.324 0.000 2.164 793 K HA 0.284 4.603 4.320 -0.003 0.000 0.258 793 K C -1.114 175.207 176.600 -0.465 0.000 0.951 793 K CA -0.734 55.424 56.287 -0.216 0.000 0.844 793 K CB 1.213 33.672 32.500 -0.068 0.000 1.099 793 K HN 0.466 nan 8.250 nan 0.000 0.435 794 Y N 0.785 121.176 120.300 0.151 0.000 2.363 794 Y HA 0.235 4.784 4.550 -0.002 0.000 0.325 794 Y C -0.237 175.782 175.900 0.199 0.000 0.984 794 Y CA -1.121 57.056 58.100 0.129 0.000 1.248 794 Y CB 1.248 39.747 38.460 0.066 0.000 1.116 794 Y HN 0.141 nan 8.280 nan 0.000 0.470 795 V N 3.775 123.817 119.914 0.214 0.000 2.546 795 V HA 0.150 4.268 4.120 -0.003 0.000 0.284 795 V C 0.070 176.243 176.094 0.131 0.000 1.050 795 V CA -0.805 61.594 62.300 0.166 0.000 0.981 795 V CB 0.969 32.846 31.823 0.090 0.000 0.990 795 V HN 0.935 nan 8.190 nan 0.000 0.474 796 N N 2.349 121.089 118.700 0.068 0.000 2.740 796 N HA -0.209 4.530 4.740 -0.003 0.000 0.248 796 N C -0.399 175.070 175.510 -0.069 0.000 1.062 796 N CA 0.953 53.968 53.050 -0.059 0.000 0.704 796 N CB -1.457 36.992 38.487 -0.063 0.000 0.968 796 N HN 0.876 nan 8.380 nan 0.000 0.547 797 Y N -1.714 118.581 120.300 -0.009 0.000 2.480 797 Y HA 0.366 4.914 4.550 -0.003 0.000 0.338 797 Y C 0.804 176.631 175.900 -0.120 0.000 1.220 797 Y CA -0.645 57.402 58.100 -0.087 0.000 1.430 797 Y CB 0.423 38.828 38.460 -0.090 0.000 1.311 797 Y HN 0.053 nan 8.280 nan 0.000 0.575 798 T N 4.555 119.062 114.554 -0.080 0.000 2.737 798 T HA 0.084 4.432 4.350 -0.003 0.000 0.296 798 T C -0.350 174.345 174.700 -0.009 0.000 0.922 798 T CA -0.450 61.571 62.100 -0.132 0.000 1.079 798 T CB -0.313 68.405 68.868 -0.250 0.000 0.892 798 T HN 0.609 nan 8.240 nan 0.000 0.514 799 N N 4.170 122.849 118.700 -0.036 0.000 2.511 799 N HA 0.218 4.957 4.740 -0.003 0.000 0.249 799 N C -0.774 174.736 175.510 -0.000 0.000 0.971 799 N CA -0.760 52.315 53.050 0.042 0.000 0.938 799 N CB 0.350 38.863 38.487 0.042 0.000 1.131 799 N HN 0.368 nan 8.380 nan 0.000 0.505 800 I N 4.712 125.270 120.570 -0.020 0.000 2.371 800 I HA 0.203 4.372 4.170 -0.003 0.000 0.290 800 I C 0.955 177.034 176.117 -0.063 0.000 1.028 800 I CA -0.398 60.876 61.300 -0.044 0.000 1.345 800 I CB 0.174 38.131 38.000 -0.073 0.000 1.407 800 I HN 0.591 nan 8.210 nan 0.000 0.501 801 L N 7.466 128.636 121.223 -0.089 0.000 3.713 801 L HA -0.184 4.155 4.340 -0.003 0.000 0.499 801 L C -1.447 175.366 176.870 -0.095 0.000 1.281 801 L CA -0.313 54.434 54.840 -0.155 0.000 0.796 801 L CB -1.095 40.817 42.059 -0.245 0.000 1.535 801 L HN 0.517 nan 8.230 nan 0.000 0.851 802 P HA -0.042 nan 4.420 nan 0.000 0.225 802 P C 0.691 177.986 177.300 -0.009 0.000 1.156 802 P CA 1.691 64.789 63.100 -0.005 0.000 0.787 802 P CB 0.419 32.133 31.700 0.023 0.000 0.802 803 A N -0.058 122.740 122.820 -0.036 0.000 3.415 803 A HA 0.378 4.696 4.320 -0.003 0.000 0.244 803 A C -0.620 176.904 177.584 -0.100 0.000 0.988 803 A CA -0.425 51.591 52.037 -0.036 0.000 0.991 803 A CB -0.633 18.373 19.000 0.010 0.000 1.240 803 A HN 0.092 nan 8.150 nan 0.000 0.541 804 L N 2.608 123.744 121.223 -0.146 0.000 2.313 804 L HA 0.501 4.839 4.340 -0.003 0.000 0.282 804 L C -2.173 174.569 176.870 -0.215 0.000 1.092 804 L CA -1.430 53.277 54.840 -0.222 0.000 0.831 804 L CB 0.325 42.194 42.059 -0.318 0.000 1.159 804 L HN 0.263 nan 8.230 nan 0.000 0.442 805 P HA 0.132 nan 4.420 nan 0.000 0.275 805 P C -0.414 176.723 177.300 -0.272 0.000 1.228 805 P CA -0.235 62.633 63.100 -0.387 0.000 0.786 805 P CB 0.796 32.028 31.700 -0.780 0.000 0.927 806 D N 1.983 122.268 120.400 -0.191 0.000 2.221 806 D HA -0.137 4.502 4.640 -0.003 0.000 0.204 806 D C 1.909 178.140 176.300 -0.115 0.000 0.982 806 D CA 1.516 55.454 54.000 -0.102 0.000 0.857 806 D CB -0.556 40.202 40.800 -0.071 0.000 0.934 806 D HN 0.440 nan 8.370 nan 0.000 0.475 807 A N 0.196 122.834 122.820 -0.304 0.000 2.070 807 A HA -0.137 4.181 4.320 -0.003 0.000 0.220 807 A C 0.424 178.018 177.584 0.016 0.000 1.159 807 A CA 0.608 52.454 52.037 -0.318 0.000 0.656 807 A CB -0.351 18.121 19.000 -0.881 0.000 0.800 807 A HN 0.163 nan 8.150 nan 0.000 0.453 808 W N -0.616 120.620 121.300 -0.107 0.000 2.227 808 W HA 0.669 5.328 4.660 -0.003 0.000 0.308 808 W C 1.041 177.722 176.519 0.269 0.000 0.882 808 W CA -1.308 56.093 57.345 0.093 0.000 1.707 808 W CB -0.856 28.718 29.460 0.190 0.000 1.782 808 W HN 0.331 nan 8.180 nan 0.000 0.385 809 A N 1.424 124.448 122.820 0.341 0.000 1.969 809 A HA 0.291 4.610 4.320 -0.003 0.000 0.218 809 A C 1.229 179.009 177.584 0.327 0.000 1.169 809 A CA 1.550 53.753 52.037 0.277 0.000 0.635 809 A CB -0.212 18.871 19.000 0.138 0.000 0.810 809 A HN 0.397 nan 8.150 nan 0.000 0.445 810 G N -3.397 105.484 108.800 0.134 0.000 2.660 810 G HA2 0.638 4.597 3.960 -0.003 0.000 0.294 810 G HA3 0.638 4.597 3.960 -0.003 0.000 0.294 810 G C -0.412 174.041 174.900 -0.745 0.000 1.369 810 G CA -0.062 44.849 45.100 -0.315 0.000 0.912 810 G HN 1.256 nan 8.290 nan 0.000 0.479 811 G N -0.978 106.931 108.800 -1.485 0.000 2.315 811 G HA2 0.708 4.667 3.960 -0.003 0.000 0.294 811 G HA3 0.708 4.667 3.960 -0.003 0.000 0.294 811 G C -0.788 173.183 174.900 -1.549 0.000 1.300 811 G CA 0.603 44.844 45.100 -1.432 0.000 0.843 811 G HN 2.006 nan 8.290 nan 0.000 0.527 812 S N -2.193 112.964 115.700 -0.905 0.000 2.550 812 S HA 0.842 5.310 4.470 -0.003 0.000 0.270 812 S C -1.540 173.018 174.600 -0.070 0.000 1.145 812 S CA -0.323 57.653 58.200 -0.372 0.000 0.852 812 S CB 1.861 64.932 63.200 -0.215 0.000 1.119 812 S HN 2.129 nan 8.310 nan 0.000 0.465 813 V N 1.503 121.494 119.914 0.128 0.000 2.971 813 V HA 0.922 5.041 4.120 -0.003 0.000 0.309 813 V C -1.120 175.034 176.094 0.099 0.000 1.130 813 V CA 0.150 62.516 62.300 0.110 0.000 0.964 813 V CB 2.201 34.122 31.823 0.163 0.000 1.029 813 V HN 1.637 nan 8.190 nan 0.000 0.427 814 S N 3.118 118.861 115.700 0.073 0.000 2.549 814 S HA 0.827 5.295 4.470 -0.003 0.000 0.280 814 S C 0.419 175.069 174.600 0.082 0.000 1.109 814 S CA 0.087 58.333 58.200 0.077 0.000 0.905 814 S CB 1.657 64.890 63.200 0.055 0.000 1.081 814 S HN 2.583 nan 8.310 nan 0.000 0.477 815 G N 0.813 109.669 108.800 0.093 0.000 2.157 815 G HA2 -0.189 3.770 3.960 -0.003 0.000 0.239 815 G HA3 -0.189 3.770 3.960 -0.003 0.000 0.239 815 G C -0.078 174.891 174.900 0.114 0.000 0.982 815 G CA 0.066 45.222 45.100 0.093 0.000 0.650 815 G HN 0.823 nan 8.290 nan 0.000 0.527 816 L N 0.032 121.336 121.223 0.135 0.000 2.472 816 L HA 0.541 4.880 4.340 -0.003 0.000 0.260 816 L C 0.753 177.731 176.870 0.179 0.000 1.209 816 L CA -0.539 54.397 54.840 0.161 0.000 0.817 816 L CB 0.952 43.111 42.059 0.168 0.000 1.106 816 L HN -0.030 nan 8.230 nan 0.000 0.479 817 V N 0.632 120.677 119.914 0.219 0.000 2.540 817 V HA 0.656 4.774 4.120 -0.003 0.000 0.302 817 V C 0.076 176.413 176.094 0.404 0.000 1.035 817 V CA -0.656 61.816 62.300 0.285 0.000 0.873 817 V CB 1.580 33.570 31.823 0.278 0.000 0.992 817 V HN 0.878 nan 8.190 nan 0.000 0.428 818 A N 4.387 127.405 122.820 0.331 0.000 2.320 818 A HA 0.763 5.082 4.320 -0.003 0.000 0.334 818 A C 0.150 177.765 177.584 0.052 0.000 1.147 818 A CA -0.798 51.366 52.037 0.212 0.000 0.820 818 A CB 0.730 19.813 19.000 0.139 0.000 1.218 818 A HN 0.851 nan 8.150 nan 0.000 0.482 819 R N 0.029 120.329 120.500 -0.333 0.000 2.698 819 R HA 0.329 4.668 4.340 -0.003 0.000 0.266 819 R C 1.273 177.525 176.300 -0.079 0.000 1.026 819 R CA 1.481 57.288 56.100 -0.489 0.000 1.102 819 R CB 0.142 30.112 30.300 -0.550 0.000 0.978 819 R HN 1.623 nan 8.270 nan 0.000 0.436 820 G N 1.396 110.111 108.800 -0.142 0.000 2.195 820 G HA2 -0.335 3.624 3.960 -0.003 0.000 0.246 820 G HA3 -0.335 3.624 3.960 -0.003 0.000 0.246 820 G C 0.092 174.806 174.900 -0.310 0.000 0.984 820 G CA 0.058 45.112 45.100 -0.078 0.000 0.633 820 G HN 0.726 nan 8.290 nan 0.000 0.525 821 N N -1.215 117.375 118.700 -0.184 0.000 2.688 821 N HA -0.144 4.594 4.740 -0.003 0.000 0.261 821 N C -0.606 174.687 175.510 -0.362 0.000 1.116 821 N CA 1.236 54.170 53.050 -0.193 0.000 0.689 821 N CB -1.634 36.724 38.487 -0.214 0.000 0.882 821 N HN 0.637 nan 8.380 nan 0.000 0.554 822 F N 0.066 120.035 119.950 0.030 0.000 2.507 822 F HA 0.408 4.934 4.527 -0.003 0.000 0.325 822 F C 1.044 176.895 175.800 0.086 0.000 1.116 822 F CA -0.569 57.464 58.000 0.054 0.000 0.930 822 F CB 1.758 40.778 39.000 0.032 0.000 1.146 822 F HN -0.113 nan 8.300 nan 0.000 0.447 823 T N 3.132 117.838 114.554 0.253 0.000 2.856 823 T HA 0.557 4.905 4.350 -0.003 0.000 0.292 823 T C -0.431 174.390 174.700 0.203 0.000 0.980 823 T CA -0.504 61.714 62.100 0.197 0.000 1.091 823 T CB 1.218 70.170 68.868 0.141 0.000 0.936 823 T HN 0.277 nan 8.240 nan 0.000 0.503 824 V N 2.354 122.371 119.914 0.173 0.000 2.531 824 V HA 0.782 4.900 4.120 -0.003 0.000 0.301 824 V C 0.461 176.634 176.094 0.131 0.000 1.034 824 V CA -0.784 61.606 62.300 0.149 0.000 0.865 824 V CB 1.916 33.820 31.823 0.134 0.000 0.995 824 V HN 1.056 nan 8.190 nan 0.000 0.424 825 G N 2.241 111.115 108.800 0.123 0.000 2.495 825 G HA2 0.747 4.705 3.960 -0.003 0.000 0.318 825 G HA3 0.747 4.705 3.960 -0.003 0.000 0.318 825 G C -0.833 174.144 174.900 0.129 0.000 1.257 825 G CA -0.498 44.673 45.100 0.118 0.000 0.962 825 G HN 0.603 nan 8.290 nan 0.000 0.483 826 T N 0.567 115.221 114.554 0.168 0.000 2.933 826 T HA 0.630 4.978 4.350 -0.003 0.000 0.305 826 T C -0.535 174.338 174.700 0.287 0.000 1.092 826 T CA -0.461 61.768 62.100 0.216 0.000 1.008 826 T CB 2.005 71.008 68.868 0.225 0.000 1.102 826 T HN 0.479 nan 8.240 nan 0.000 0.469 827 T N 2.792 117.489 114.554 0.238 0.000 2.856 827 T HA 0.728 5.076 4.350 -0.003 0.000 0.283 827 T C -1.072 173.806 174.700 0.298 0.000 1.008 827 T CA -0.849 61.337 62.100 0.144 0.000 0.997 827 T CB 0.757 69.638 68.868 0.022 0.000 0.992 827 T HN 0.729 nan 8.240 nan 0.000 0.454 828 W N 1.272 122.596 121.300 0.040 0.000 3.033 828 W HA 0.850 5.508 4.660 -0.002 0.000 0.336 828 W C -1.492 175.053 176.519 0.044 0.000 1.173 828 W CA -0.998 56.379 57.345 0.054 0.000 1.185 828 W CB 1.297 30.795 29.460 0.063 0.000 1.425 828 W HN 0.186 nan 8.180 nan 0.000 0.536 829 K N 2.361 122.880 120.400 0.198 0.000 2.523 829 K HA 0.240 4.559 4.320 -0.003 0.000 0.257 829 K C -0.328 176.366 176.600 0.155 0.000 0.932 829 K CA -0.985 55.355 56.287 0.087 0.000 0.812 829 K CB 1.697 34.213 32.500 0.027 0.000 1.326 829 K HN 0.814 nan 8.250 nan 0.000 0.433 830 N N 0.969 119.745 118.700 0.126 0.000 2.721 830 N HA -0.233 4.506 4.740 -0.003 0.000 0.249 830 N C 0.604 176.202 175.510 0.147 0.000 1.072 830 N CA 1.400 54.519 53.050 0.114 0.000 0.710 830 N CB -0.886 37.645 38.487 0.073 0.000 0.993 830 N HN 1.088 nan 8.380 nan 0.000 0.547 831 G N -1.427 107.513 108.800 0.234 0.000 2.162 831 G HA2 -0.336 3.623 3.960 -0.003 0.000 0.260 831 G HA3 -0.336 3.623 3.960 -0.003 0.000 0.260 831 G C -0.118 174.879 174.900 0.162 0.000 0.976 831 G CA 0.982 46.201 45.100 0.197 0.000 0.655 831 G HN 0.412 nan 8.290 nan 0.000 0.533 832 K N -0.164 120.370 120.400 0.223 0.000 2.464 832 K HA 0.745 5.064 4.320 -0.003 0.000 0.253 832 K C 0.235 177.007 176.600 0.286 0.000 0.933 832 K CA -0.161 56.248 56.287 0.203 0.000 0.801 832 K CB 1.950 34.553 32.500 0.172 0.000 1.271 832 K HN 0.777 nan 8.250 nan 0.000 0.430 833 A N 1.236 124.218 122.820 0.270 0.000 2.546 833 A HA 0.144 4.463 4.320 -0.003 0.000 0.243 833 A C 1.123 178.919 177.584 0.354 0.000 1.063 833 A CA 0.661 52.875 52.037 0.295 0.000 0.757 833 A CB -0.256 18.818 19.000 0.122 0.000 0.991 833 A HN 0.795 nan 8.150 nan 0.000 0.503 834 T N -0.607 114.115 114.554 0.280 0.000 2.990 834 T HA 0.304 4.653 4.350 -0.003 0.000 0.249 834 T C 0.386 175.210 174.700 0.207 0.000 1.039 834 T CA 0.680 62.910 62.100 0.216 0.000 1.036 834 T CB 0.052 68.994 68.868 0.123 0.000 0.994 834 T HN 0.757 nan 8.240 nan 0.000 0.489 835 E N 0.205 120.521 120.200 0.192 0.000 2.363 835 E HA 0.537 4.885 4.350 -0.003 0.000 0.281 835 E C -2.166 174.511 176.600 0.128 0.000 0.953 835 E CA -0.757 55.733 56.400 0.150 0.000 0.778 835 E CB 2.747 32.508 29.700 0.103 0.000 1.220 835 E HN 0.067 nan 8.360 nan 0.000 0.431 836 V N 3.613 123.588 119.914 0.101 0.000 2.588 836 V HA 0.545 4.663 4.120 -0.003 0.000 0.304 836 V C -0.503 175.652 176.094 0.101 0.000 1.042 836 V CA -0.770 61.580 62.300 0.085 0.000 0.877 836 V CB 1.826 33.669 31.823 0.034 0.000 0.996 836 V HN 0.597 nan 8.190 nan 0.000 0.425 837 R N 3.669 124.235 120.500 0.110 0.000 2.310 837 R HA 0.626 4.964 4.340 -0.003 0.000 0.324 837 R C -1.322 175.074 176.300 0.159 0.000 0.955 837 R CA -0.695 55.480 56.100 0.124 0.000 0.830 837 R CB 1.876 32.234 30.300 0.098 0.000 1.154 837 R HN 0.530 nan 8.270 nan 0.000 0.458 838 L N 2.623 123.980 121.223 0.224 0.000 2.318 838 L HA 0.342 4.680 4.340 -0.003 0.000 0.277 838 L C -0.770 176.330 176.870 0.383 0.000 1.008 838 L CA 0.034 55.046 54.840 0.288 0.000 0.846 838 L CB 1.948 44.183 42.059 0.293 0.000 1.220 838 L HN 0.498 nan 8.230 nan 0.000 0.423 839 T N 2.738 117.481 114.554 0.314 0.000 2.733 839 T HA 0.208 4.557 4.350 -0.003 0.000 0.294 839 T C 0.113 175.005 174.700 0.319 0.000 0.956 839 T CA -0.146 62.117 62.100 0.271 0.000 0.987 839 T CB 0.875 69.836 68.868 0.156 0.000 0.920 839 T HN 0.573 nan 8.240 nan 0.000 0.470 840 S N 2.918 118.831 115.700 0.354 0.000 2.422 840 S HA 0.161 4.629 4.470 -0.003 0.000 0.283 840 S C 1.004 175.583 174.600 -0.034 0.000 1.163 840 S CA -0.674 57.606 58.200 0.132 0.000 1.054 840 S CB -0.179 63.186 63.200 0.275 0.000 0.967 840 S HN 0.663 nan 8.310 nan 0.000 0.499 841 N N 3.490 122.080 118.700 -0.184 0.000 2.424 841 N HA 0.141 4.880 4.740 -0.003 0.000 0.178 841 N C 1.003 176.432 175.510 -0.136 0.000 1.060 841 N CA 0.126 53.108 53.050 -0.113 0.000 0.901 841 N CB 0.251 38.686 38.487 -0.086 0.000 0.979 841 N HN 0.377 nan 8.380 nan 0.000 0.451 842 K N -0.556 119.704 120.400 -0.234 0.000 2.477 842 K HA 0.247 4.565 4.320 -0.003 0.000 0.208 842 K C 0.601 177.117 176.600 -0.139 0.000 1.117 842 K CA 0.166 56.346 56.287 -0.178 0.000 1.039 842 K CB 1.327 33.698 32.500 -0.215 0.000 0.937 842 K HN 0.130 nan 8.250 nan 0.000 0.570 843 G N 2.729 111.449 108.800 -0.133 0.000 2.160 843 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.251 843 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.251 843 G C -0.044 174.836 174.900 -0.033 0.000 1.008 843 G CA 0.217 45.296 45.100 -0.034 0.000 0.724 843 G HN 0.053 nan 8.290 nan 0.000 0.514 844 K N 0.348 120.686 120.400 -0.104 0.000 2.202 844 K HA 0.252 4.571 4.320 -0.003 0.000 0.264 844 K C 0.873 177.554 176.600 0.134 0.000 1.010 844 K CA -0.525 55.765 56.287 0.005 0.000 0.940 844 K CB 0.572 33.059 32.500 -0.021 0.000 0.983 844 K HN 0.573 nan 8.250 nan 0.000 0.475 845 Q N 0.770 120.614 119.800 0.073 0.000 2.283 845 Q HA 0.070 4.408 4.340 -0.003 0.000 0.301 845 Q C -0.798 175.155 176.000 -0.080 0.000 1.063 845 Q CA -0.019 55.776 55.803 -0.013 0.000 0.952 845 Q CB 0.527 29.263 28.738 -0.003 0.000 1.166 845 Q HN 0.588 nan 8.270 nan 0.000 0.381 846 A N 3.215 125.770 122.820 -0.442 0.000 2.331 846 A HA 0.661 4.980 4.320 -0.003 0.000 0.283 846 A C -0.771 176.395 177.584 -0.697 0.000 1.142 846 A CA 0.113 51.638 52.037 -0.854 0.000 0.812 846 A CB 0.963 18.958 19.000 -1.675 0.000 1.074 846 A HN 0.796 nan 8.150 nan 0.000 0.497 847 A N 2.457 124.962 122.820 -0.526 0.000 2.499 847 A HA 0.590 4.909 4.320 -0.003 0.000 0.280 847 A C -1.065 176.327 177.584 -0.319 0.000 1.135 847 A CA -0.324 51.484 52.037 -0.382 0.000 0.744 847 A CB 0.980 19.851 19.000 -0.216 0.000 1.213 847 A HN 1.084 nan 8.150 nan 0.000 0.434 848 V N 2.892 122.626 119.914 -0.300 0.000 2.407 848 V HA 0.419 4.538 4.120 -0.003 0.000 0.291 848 V C 0.126 176.093 176.094 -0.210 0.000 1.018 848 V CA -0.646 61.538 62.300 -0.193 0.000 0.842 848 V CB 1.620 33.378 31.823 -0.108 0.000 0.996 848 V HN 0.868 nan 8.190 nan 0.000 0.426 849 K N 4.715 125.038 120.400 -0.128 0.000 2.156 849 K HA 0.662 4.981 4.320 -0.003 0.000 0.271 849 K C -1.006 175.536 176.600 -0.097 0.000 0.995 849 K CA -0.600 55.605 56.287 -0.136 0.000 0.890 849 K CB 1.155 33.642 32.500 -0.022 0.000 1.073 849 K HN 0.654 nan 8.250 nan 0.000 0.454 850 I N 4.584 125.074 120.570 -0.135 0.000 2.428 850 I HA 0.080 4.248 4.170 -0.003 0.000 0.279 850 I C 0.838 176.911 176.117 -0.074 0.000 1.040 850 I CA -0.427 60.774 61.300 -0.165 0.000 1.171 850 I CB 1.703 39.462 38.000 -0.402 0.000 1.312 850 I HN 0.772 nan 8.210 nan 0.000 0.470 851 T N 3.632 118.165 114.554 -0.036 0.000 2.777 851 T HA -0.074 4.274 4.350 -0.003 0.000 0.266 851 T C 1.247 175.947 174.700 -0.000 0.000 1.040 851 T CA 1.142 63.241 62.100 -0.001 0.000 1.141 851 T CB 0.078 68.953 68.868 0.011 0.000 0.868 851 T HN 0.634 nan 8.240 nan 0.000 0.444 852 A N 0.617 123.424 122.820 -0.022 0.000 3.004 852 A HA 0.619 4.937 4.320 -0.003 0.000 0.286 852 A C 1.308 178.934 177.584 0.071 0.000 1.632 852 A CA 0.206 52.246 52.037 0.005 0.000 1.339 852 A CB -0.918 18.054 19.000 -0.046 0.000 1.136 852 A HN 0.573 nan 8.150 nan 0.000 0.577 853 G N -0.134 108.733 108.800 0.111 0.000 3.382 853 G HA2 0.410 4.368 3.960 -0.003 0.000 0.214 853 G HA3 0.410 4.368 3.960 -0.003 0.000 0.214 853 G C 0.917 175.986 174.900 0.282 0.000 1.025 853 G CA 0.599 45.850 45.100 0.251 0.000 0.869 853 G HN 2.398 nan 8.290 nan 0.000 0.458 854 G N 0.114 109.015 108.800 0.168 0.000 3.405 854 G HA2 0.367 4.325 3.960 -0.003 0.000 0.676 854 G HA3 0.367 4.325 3.960 -0.003 0.000 0.676 854 G C 0.977 175.997 174.900 0.201 0.000 1.039 854 G CA 0.820 46.000 45.100 0.134 0.000 0.855 854 G HN 1.811 nan 8.290 nan 0.000 0.443 855 A N 2.506 125.354 122.820 0.047 0.000 2.024 855 A HA -0.099 4.219 4.320 -0.003 0.000 0.220 855 A C 2.429 180.097 177.584 0.139 0.000 1.164 855 A CA 2.242 54.295 52.037 0.027 0.000 0.643 855 A CB -0.165 18.772 19.000 -0.106 0.000 0.806 855 A HN 1.542 nan 8.150 nan 0.000 0.451 856 Q N 0.392 120.246 119.800 0.091 0.000 2.364 856 Q HA -0.169 4.169 4.340 -0.003 0.000 0.209 856 Q C 0.625 176.674 176.000 0.082 0.000 0.977 856 Q CA 1.940 57.782 55.803 0.064 0.000 0.885 856 Q CB -0.896 27.863 28.738 0.034 0.000 0.941 856 Q HN 0.800 nan 8.270 nan 0.000 0.464 857 N N -0.879 117.907 118.700 0.144 0.000 2.336 857 N HA 0.128 4.867 4.740 -0.003 0.000 0.189 857 N C -0.686 174.733 175.510 -0.151 0.000 1.113 857 N CA -0.069 52.976 53.050 -0.008 0.000 0.858 857 N CB 0.259 38.700 38.487 -0.078 0.000 0.970 857 N HN 0.204 nan 8.380 nan 0.000 0.471 858 Y N 0.579 120.870 120.300 -0.016 0.000 2.587 858 Y HA 0.370 4.918 4.550 -0.003 0.000 0.337 858 Y C 0.030 175.910 175.900 -0.034 0.000 1.065 858 Y CA -1.310 56.779 58.100 -0.018 0.000 1.126 858 Y CB 1.321 39.774 38.460 -0.011 0.000 1.279 858 Y HN -0.051 nan 8.280 nan 0.000 0.489 859 E N -0.482 119.789 120.200 0.118 0.000 2.369 859 E HA 0.743 5.092 4.350 -0.003 0.000 0.270 859 E C -1.987 174.606 176.600 -0.012 0.000 0.909 859 E CA -1.116 55.297 56.400 0.022 0.000 0.775 859 E CB 2.422 32.118 29.700 -0.007 0.000 1.270 859 E HN 0.265 nan 8.360 nan 0.000 0.445 860 V N 1.386 121.236 119.914 -0.107 0.000 2.459 860 V HA 0.459 4.577 4.120 -0.003 0.000 0.295 860 V C -0.324 175.697 176.094 -0.122 0.000 1.029 860 V CA -0.771 61.410 62.300 -0.198 0.000 0.874 860 V CB 1.313 32.787 31.823 -0.582 0.000 0.985 860 V HN 0.603 nan 8.190 nan 0.000 0.438 861 K N 3.029 123.400 120.400 -0.049 0.000 2.385 861 K HA 0.611 4.930 4.320 -0.003 0.000 0.248 861 K C -0.781 175.829 176.600 0.017 0.000 0.955 861 K CA -0.847 55.433 56.287 -0.012 0.000 0.816 861 K CB 2.448 34.943 32.500 -0.008 0.000 1.250 861 K HN 0.698 nan 8.250 nan 0.000 0.434 868 N N 2.990 121.696 118.700 0.010 0.000 3.059 868 N HA 0.199 4.937 4.740 -0.003 0.000 0.321 868 N C 0.381 175.914 175.510 0.038 0.000 1.224 868 N CA 0.355 53.420 53.050 0.024 0.000 1.197 868 N CB 0.957 39.471 38.487 0.045 0.000 1.453 868 N HN 0.865 nan 8.380 nan 0.000 0.544 869 A N 1.466 124.283 122.820 -0.004 0.000 2.363 869 A HA 0.288 4.606 4.320 -0.003 0.000 0.270 869 A C 0.514 178.119 177.584 0.035 0.000 1.121 869 A CA -0.320 51.739 52.037 0.036 0.000 0.800 869 A CB 1.030 19.986 19.000 -0.073 0.000 1.052 869 A HN 0.121 nan 8.150 nan 0.000 0.493 870 K N 1.450 121.882 120.400 0.052 0.000 2.123 870 K HA 0.518 4.836 4.320 -0.003 0.000 0.259 870 K C -0.936 175.654 176.600 -0.016 0.000 0.960 870 K CA -0.579 55.721 56.287 0.020 0.000 0.872 870 K CB 1.989 34.507 32.500 0.031 0.000 1.079 870 K HN 0.382 nan 8.250 nan 0.000 0.440 871 V N 2.984 122.884 119.914 -0.023 0.000 2.370 871 V HA 0.282 4.400 4.120 -0.003 0.000 0.279 871 V C 0.052 176.113 176.094 -0.054 0.000 1.029 871 V CA -0.884 61.383 62.300 -0.055 0.000 0.870 871 V CB 1.359 33.166 31.823 -0.027 0.000 0.984 871 V HN 0.553 nan 8.190 nan 0.000 0.451 872 V N 2.256 122.097 119.914 -0.123 0.000 2.815 872 V HA 0.907 5.025 4.120 -0.003 0.000 0.314 872 V C -0.235 175.870 176.094 0.018 0.000 1.064 872 V CA -0.267 62.005 62.300 -0.047 0.000 0.952 872 V CB 2.130 33.909 31.823 -0.072 0.000 1.020 872 V HN 0.770 nan 8.190 nan 0.000 0.439 873 T N 3.510 118.162 114.554 0.162 0.000 2.912 873 T HA 0.511 4.859 4.350 -0.003 0.000 0.299 873 T C -0.523 174.293 174.700 0.194 0.000 1.052 873 T CA -0.574 61.654 62.100 0.213 0.000 0.996 873 T CB 1.594 70.518 68.868 0.094 0.000 1.070 873 T HN 1.163 nan 8.240 nan 0.000 0.465 874 N N 1.035 119.802 118.700 0.112 0.000 2.448 874 N HA 0.546 5.284 4.740 -0.003 0.000 0.274 874 N C 1.374 176.832 175.510 -0.086 0.000 1.239 874 N CA -0.495 52.450 53.050 -0.175 0.000 0.982 874 N CB 0.174 38.287 38.487 -0.623 0.000 1.199 874 N HN 0.534 nan 8.380 nan 0.000 0.576 875 A N -0.990 121.763 122.820 -0.113 0.000 2.070 875 A HA -0.150 4.169 4.320 -0.003 0.000 0.220 875 A C 1.204 178.760 177.584 -0.047 0.000 1.159 875 A CA 1.793 53.791 52.037 -0.066 0.000 0.656 875 A CB -0.817 18.140 19.000 -0.071 0.000 0.800 875 A HN 0.785 nan 8.150 nan 0.000 0.453 876 D N -2.014 118.352 120.400 -0.057 0.000 2.358 876 D HA 0.333 4.971 4.640 -0.003 0.000 0.224 876 D C 1.140 177.439 176.300 -0.003 0.000 1.123 876 D CA 0.854 54.837 54.000 -0.028 0.000 0.833 876 D CB -0.209 40.572 40.800 -0.031 0.000 0.946 876 D HN 0.462 nan 8.370 nan 0.000 0.505 877 G N -0.231 108.574 108.800 0.007 0.000 2.143 877 G HA2 -0.208 3.751 3.960 -0.003 0.000 0.249 877 G HA3 -0.208 3.751 3.960 -0.003 0.000 0.249 877 G C 0.517 175.452 174.900 0.058 0.000 0.981 877 G CA 0.173 45.292 45.100 0.031 0.000 0.665 877 G HN 0.644 nan 8.290 nan 0.000 0.528 878 A N -0.240 122.631 122.820 0.085 0.000 2.388 878 A HA 0.789 5.108 4.320 -0.003 0.000 0.257 878 A C 0.577 178.295 177.584 0.223 0.000 1.095 878 A CA 0.863 52.988 52.037 0.146 0.000 0.791 878 A CB 0.803 19.921 19.000 0.196 0.000 1.029 878 A HN 1.005 nan 8.150 nan 0.000 0.489 879 S N 0.551 116.289 115.700 0.062 0.000 2.568 879 S HA 0.710 5.179 4.470 -0.003 0.000 0.293 879 S C -0.687 173.688 174.600 -0.374 0.000 1.089 879 S CA -0.464 57.686 58.200 -0.084 0.000 0.945 879 S CB 1.168 64.341 63.200 -0.044 0.000 1.077 879 S HN 0.572 nan 8.310 nan 0.000 0.485 880 L N 2.062 122.919 121.223 -0.611 0.000 2.342 880 L HA 0.587 4.926 4.340 -0.003 0.000 0.271 880 L C -1.007 175.638 176.870 -0.375 0.000 1.008 880 L CA -0.876 53.576 54.840 -0.646 0.000 0.818 880 L CB 1.189 42.601 42.059 -1.079 0.000 1.296 880 L HN 0.392 nan 8.230 nan 0.000 0.427 881 L N 2.910 123.992 121.223 -0.234 0.000 2.265 881 L HA 0.448 4.787 4.340 -0.003 0.000 0.288 881 L C -0.621 176.215 176.870 -0.057 0.000 1.058 881 L CA -0.482 54.319 54.840 -0.064 0.000 0.809 881 L CB 1.555 43.654 42.059 0.066 0.000 1.179 881 L HN 0.277 nan 8.230 nan 0.000 0.429 882 V N 4.936 124.837 119.914 -0.023 0.000 2.487 882 V HA 0.577 4.695 4.120 -0.003 0.000 0.298 882 V C -0.536 175.624 176.094 0.110 0.000 1.028 882 V CA -0.555 61.688 62.300 -0.095 0.000 0.860 882 V CB 1.292 33.024 31.823 -0.152 0.000 0.991 882 V HN 0.586 nan 8.190 nan 0.000 0.427 883 F N 0.872 120.751 119.950 -0.118 0.000 2.654 883 F HA 0.672 5.198 4.527 -0.002 0.000 0.308 883 F C -0.642 175.095 175.800 -0.105 0.000 1.108 883 F CA -1.238 56.697 58.000 -0.109 0.000 0.957 883 F CB 1.049 39.959 39.000 -0.150 0.000 1.309 883 F HN 0.312 nan 8.300 nan 0.000 0.446 884 D N 1.632 122.083 120.400 0.085 0.000 2.399 884 D HA 0.402 5.040 4.640 -0.003 0.000 0.241 884 D C 0.241 176.564 176.300 0.037 0.000 1.133 884 D CA 0.547 54.570 54.000 0.038 0.000 0.890 884 D CB 1.587 42.436 40.800 0.082 0.000 1.201 884 D HN 0.851 nan 8.370 nan 0.000 0.432 885 T N -2.166 112.406 114.554 0.029 0.000 2.887 885 T HA 0.692 5.041 4.350 -0.003 0.000 0.292 885 T C -0.404 174.415 174.700 0.199 0.000 1.087 885 T CA -0.782 61.393 62.100 0.126 0.000 1.009 885 T CB 1.718 70.650 68.868 0.107 0.000 1.203 885 T HN 0.125 nan 8.240 nan 0.000 0.518 886 T N 1.532 116.270 114.554 0.307 0.000 2.848 886 T HA 0.716 5.065 4.350 -0.003 0.000 0.285 886 T C 0.165 174.957 174.700 0.154 0.000 0.995 886 T CA -0.478 61.732 62.100 0.183 0.000 0.970 886 T CB 1.238 70.204 68.868 0.162 0.000 0.976 886 T HN 1.082 nan 8.240 nan 0.000 0.441 887 A N 1.626 124.490 122.820 0.073 0.000 2.567 887 A HA 0.497 4.815 4.320 -0.003 0.000 0.240 887 A C 1.567 179.176 177.584 0.043 0.000 1.053 887 A CA 0.753 52.811 52.037 0.034 0.000 0.755 887 A CB -0.886 18.114 19.000 -0.000 0.000 0.978 887 A HN 1.745 nan 8.150 nan 0.000 0.507 888 G N 2.007 110.831 108.800 0.039 0.000 2.194 888 G HA2 -0.174 3.784 3.960 -0.003 0.000 0.236 888 G HA3 -0.174 3.784 3.960 -0.003 0.000 0.236 888 G C 0.370 175.280 174.900 0.016 0.000 0.987 888 G CA 0.350 45.466 45.100 0.027 0.000 0.635 888 G HN 1.216 nan 8.290 nan 0.000 0.520 889 T N 1.867 116.439 114.554 0.029 0.000 2.837 889 T HA 0.597 4.945 4.350 -0.003 0.000 0.285 889 T C 0.017 174.628 174.700 -0.147 0.000 0.984 889 T CA 0.284 62.320 62.100 -0.106 0.000 1.049 889 T CB 1.801 70.561 68.868 -0.179 0.000 0.947 889 T HN 0.172 nan 8.240 nan 0.000 0.472 890 T N 3.414 117.823 114.554 -0.242 0.000 2.771 890 T HA 0.467 4.815 4.350 -0.003 0.000 0.281 890 T C -0.936 173.566 174.700 -0.330 0.000 0.982 890 T CA -0.376 61.647 62.100 -0.129 0.000 0.978 890 T CB 0.212 69.068 68.868 -0.020 0.000 0.930 890 T HN 0.397 nan 8.240 nan 0.000 0.447 891 Y N 1.210 121.586 120.300 0.127 0.000 2.341 891 Y HA 0.455 5.003 4.550 -0.002 0.000 0.337 891 Y C 0.951 176.884 175.900 0.055 0.000 1.014 891 Y CA -0.928 57.222 58.100 0.083 0.000 1.111 891 Y CB 1.460 40.009 38.460 0.148 0.000 1.194 891 Y HN 0.459 nan 8.280 nan 0.000 0.462 892 T N 5.251 119.877 114.554 0.119 0.000 2.771 892 T HA 0.577 4.926 4.350 -0.003 0.000 0.281 892 T C -0.342 174.398 174.700 0.066 0.000 0.982 892 T CA -0.521 61.628 62.100 0.083 0.000 0.978 892 T CB 0.270 69.166 68.868 0.047 0.000 0.930 892 T HN 0.379 nan 8.240 nan 0.000 0.447 893 I N 3.981 124.601 120.570 0.083 0.000 2.362 893 I HA 0.489 4.658 4.170 -0.003 0.000 0.289 893 I C 0.446 176.669 176.117 0.177 0.000 0.994 893 I CA -0.673 60.681 61.300 0.091 0.000 1.158 893 I CB 1.674 39.706 38.000 0.052 0.000 1.315 893 I HN 0.668 nan 8.210 nan 0.000 0.451 894 T N 1.976 116.661 114.554 0.219 0.000 2.883 894 T HA 0.455 4.804 4.350 -0.003 0.000 0.296 894 T C -0.437 174.340 174.700 0.128 0.000 1.117 894 T CA -1.208 61.026 62.100 0.223 0.000 1.006 894 T CB 2.008 70.930 68.868 0.089 0.000 1.191 894 T HN 0.200 nan 8.240 nan 0.000 0.508 895 K N 1.864 122.187 120.400 -0.128 0.000 2.401 895 K HA 0.216 4.535 4.320 -0.003 0.000 0.278 895 K C 0.568 177.030 176.600 -0.229 0.000 1.018 895 K CA -0.041 55.954 56.287 -0.487 0.000 0.981 895 K CB 0.751 32.992 32.500 -0.432 0.000 0.933 895 K HN 0.579 nan 8.250 nan 0.000 0.477 896 K N 0.000 120.265 120.400 -0.225 0.000 2.780 896 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 896 K CA 0.000 56.216 56.287 -0.119 0.000 0.838 896 K CB 0.000 32.446 32.500 -0.090 0.000 1.064 896 K HN 0.000 nan 8.250 nan 0.000 0.543