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 2x0s_1_A DATA FIRST_RESID 1 DATA SEQUENCE VAKKWVYYFG GGNADGNKNM KELLGGKGAN LAEMVNLGIP VPPGFTITTE DATA SEQUENCE ACKTYQETET IPQEVADQVR ENVSRVEKEM GAKFGDPANP LLFSVRSGAA DATA SEQUENCE ASXXXXMDTV LNLGLNKVTV DAWVRRAPRL ERFVYDSYRR FITMYADIVM DATA SEQUENCE QVGREDFEEA LSRMKERRGT KFDTDLTASD LKELCDGYLE LFELKTGCSF DATA SEQUENCE PQDPVMQLFA AIKAVFRSWG NPRATIYRRM NNITGLLGTA VNVQAMVFGN DATA SEQUENCE INDRSATGVA FSRSPSTGEN FFFGEYLVNA QGEDVVAGIR TPQQINHSLS DATA SEQUENCE LRWAKAHGVG EEERRKRYPS MEEAMPENYR LLCDVRKRLE NHYRDMQDLE DATA SEQUENCE FTVQDGRLWL LQCRNGKRTI HAAVRIAIDM VNEGLISREE AVLRIDPYQV DATA SEQUENCE DHLMHPNLEP GAEKANKPIG RGLAASPGAA VGQVVFDAES AKEWSGRGKK DATA SEQUENCE VIMVRLETSP EDLAGMDAAC GILTARGGMT SHAAVVARGM GKCCVSGCGD DATA SEQUENCE MVIRGKSFKL NGSVFREGDY ITIDGSKGLI YAGKLKLRSP DLKGSFQTIL DATA SEQUENCE QWCQEMKRLG VRTNADTPAD AAKARSFGAE GVGLCRTEHM FFEGSRINFI DATA SEQUENCE REMILADSAS GRKAALDKLL PIQRADFVGI LRAMRGLPVT IRLLDPPLHE DATA SEQUENCE FVPHDAAAQF ELAQKLGMPA EKVRNRVNAL HELNPMLGHR GCRLGITYPE DATA SEQUENCE IYNMQVRAII EAAIAVSEEG SSVIPEIMVP LVGKKEELSL IREEVVKTAE DATA SEQUENCE AVITKSGKRV HYTVGTMIEV PRAAVTADSI AQKADFFSFG TNDLTQMGCG DATA SEQUENCE FSRDDAGPFL RHYGNLGIYA QDPFQSIDQE GIGELVRIAV TKGRRVKPML DATA SEQUENCE KMGICGEHGG DPATIGFCHK VGLDYVSCSP FRVPVAIVAA AHASIKDRRA DATA SEQUENCE AMK 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 1 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.099 176.094 0.009 0.000 1.182 1 V CA 0.000 62.310 62.300 0.017 0.000 1.235 1 V CB 0.000 31.830 31.823 0.011 0.000 1.184 2 A N -0.579 122.241 122.820 -0.001 0.000 3.445 2 A HA 0.381 4.703 4.320 0.003 0.000 0.184 2 A C 0.348 177.894 177.584 -0.064 0.000 1.331 2 A CA 0.719 52.742 52.037 -0.024 0.000 1.364 2 A CB -0.804 18.189 19.000 -0.011 0.000 1.117 2 A HN 1.107 nan 8.150 nan 0.000 0.502 3 K N 1.331 121.685 120.400 -0.077 0.000 2.219 3 K HA 0.481 4.802 4.320 0.003 0.000 0.258 3 K C -0.216 176.236 176.600 -0.247 0.000 1.008 3 K CA 0.378 56.522 56.287 -0.240 0.000 0.928 3 K CB 0.553 32.853 32.500 -0.333 0.000 0.983 3 K HN 0.363 nan 8.250 nan 0.000 0.484 4 K N 3.250 123.425 120.400 -0.375 0.000 2.604 4 K HA 0.192 4.514 4.320 0.003 0.000 0.247 4 K C -0.628 175.821 176.600 -0.251 0.000 0.956 4 K CA -0.406 55.721 56.287 -0.266 0.000 0.896 4 K CB 0.405 32.738 32.500 -0.279 0.000 1.131 4 K HN 0.660 nan 8.250 nan 0.000 0.440 5 W N 2.798 124.098 121.300 -0.000 0.000 3.211 5 W HA 0.170 4.832 4.660 0.003 0.000 0.292 5 W C -0.088 176.510 176.519 0.131 0.000 1.268 5 W CA -0.301 57.094 57.345 0.084 0.000 1.702 5 W CB 1.070 30.572 29.460 0.070 0.000 1.092 5 W HN 0.093 nan 8.180 nan 0.000 0.643 6 V N -0.094 119.944 119.914 0.207 0.000 2.733 6 V HA 0.286 4.407 4.120 0.003 0.000 0.306 6 V C -1.601 174.514 176.094 0.035 0.000 1.084 6 V CA -1.235 61.182 62.300 0.194 0.000 0.905 6 V CB 1.682 33.539 31.823 0.056 0.000 1.010 6 V HN -0.207 nan 8.190 nan 0.000 0.424 7 Y N 3.471 123.898 120.300 0.212 0.000 2.447 7 Y HA 0.468 5.020 4.550 0.003 0.000 0.325 7 Y C -0.132 175.960 175.900 0.319 0.000 0.976 7 Y CA -0.609 57.627 58.100 0.227 0.000 1.280 7 Y CB 1.232 39.809 38.460 0.195 0.000 1.104 7 Y HN 0.700 nan 8.280 nan 0.000 0.486 8 Y N 5.059 125.484 120.300 0.209 0.000 2.550 8 Y HA 0.314 4.866 4.550 0.003 0.000 0.343 8 Y C -0.627 175.424 175.900 0.251 0.000 1.245 8 Y CA -0.375 57.811 58.100 0.144 0.000 1.462 8 Y CB 0.369 38.852 38.460 0.040 0.000 1.340 8 Y HN 0.438 nan 8.280 nan 0.000 0.604 9 F N 1.625 121.354 119.950 -0.367 0.000 2.628 9 F HA 0.693 5.222 4.527 0.003 0.000 0.309 9 F C -0.031 175.529 175.800 -0.400 0.000 1.108 9 F CA -0.621 57.267 58.000 -0.186 0.000 0.971 9 F CB 1.665 40.623 39.000 -0.069 0.000 1.279 9 F HN 0.650 nan 8.300 nan 0.000 0.441 10 G N 1.325 110.217 108.800 0.154 0.000 3.465 10 G HA2 -0.078 3.884 3.960 0.003 0.000 0.196 10 G HA3 -0.078 3.884 3.960 0.003 0.000 0.196 10 G C 1.115 176.183 174.900 0.280 0.000 1.170 10 G CA -0.082 45.118 45.100 0.167 0.000 0.887 10 G HN 1.554 nan 8.290 nan 0.000 0.444 11 G N 0.876 109.928 108.800 0.421 0.000 2.894 11 G HA2 0.412 4.374 3.960 0.003 0.000 0.203 11 G HA3 0.412 4.374 3.960 0.003 0.000 0.203 11 G C 1.798 176.810 174.900 0.187 0.000 1.173 11 G CA 1.962 47.241 45.100 0.298 0.000 0.854 11 G HN 2.097 nan 8.290 nan 0.000 0.510 12 G N -0.183 108.724 108.800 0.178 0.000 2.212 12 G HA2 -0.400 3.562 3.960 0.003 0.000 0.266 12 G HA3 -0.400 3.562 3.960 0.003 0.000 0.266 12 G C 1.094 176.062 174.900 0.113 0.000 0.978 12 G CA 1.025 46.197 45.100 0.121 0.000 0.632 12 G HN 0.666 nan 8.290 nan 0.000 0.537 13 N N 0.256 119.046 118.700 0.149 0.000 2.724 13 N HA 0.469 5.210 4.740 0.003 0.000 0.226 13 N C 0.967 176.580 175.510 0.171 0.000 1.030 13 N CA 2.149 55.279 53.050 0.133 0.000 1.038 13 N CB 0.014 38.567 38.487 0.110 0.000 1.475 13 N HN 1.844 nan 8.380 nan 0.000 0.472 14 A N 1.049 124.022 122.820 0.255 0.000 1.677 14 A HA -0.132 4.189 4.320 0.003 0.000 0.219 14 A C 0.469 178.209 177.584 0.261 0.000 1.295 14 A CA 0.641 52.859 52.037 0.302 0.000 0.647 14 A CB -1.851 17.305 19.000 0.259 0.000 1.201 14 A HN 0.531 nan 8.150 nan 0.000 0.214 15 D N 0.992 121.568 120.400 0.292 0.000 2.797 15 D HA -0.200 4.442 4.640 0.003 0.000 0.222 15 D C 1.609 178.104 176.300 0.325 0.000 1.070 15 D CA 2.546 56.715 54.000 0.282 0.000 0.926 15 D CB -0.865 40.110 40.800 0.293 0.000 1.136 15 D HN 1.483 nan 8.370 nan 0.000 0.487 16 G N -0.091 108.958 108.800 0.414 0.000 2.683 16 G HA2 0.382 4.344 3.960 0.003 0.000 0.260 16 G HA3 0.382 4.344 3.960 0.003 0.000 0.260 16 G C 0.094 175.049 174.900 0.092 0.000 1.238 16 G CA 0.222 45.430 45.100 0.180 0.000 0.934 16 G HN 0.561 nan 8.290 nan 0.000 0.534 17 N N -3.307 115.402 118.700 0.014 0.000 2.972 17 N HA 0.219 4.961 4.740 0.003 0.000 0.262 17 N C 0.455 175.955 175.510 -0.017 0.000 1.478 17 N CA -0.626 52.430 53.050 0.011 0.000 0.841 17 N CB 0.993 39.492 38.487 0.020 0.000 1.512 17 N HN 0.485 nan 8.380 nan 0.000 0.548 18 K N -1.131 119.265 120.400 -0.007 0.000 2.555 18 K HA 0.114 4.435 4.320 0.003 0.000 0.193 18 K C 0.011 176.605 176.600 -0.010 0.000 1.032 18 K CA 0.692 56.976 56.287 -0.005 0.000 1.004 18 K CB -0.283 32.227 32.500 0.015 0.000 0.804 18 K HN 0.323 nan 8.250 nan 0.000 0.496 19 N N 1.165 119.853 118.700 -0.019 0.000 2.409 19 N HA 0.071 4.812 4.740 0.003 0.000 0.174 19 N C 0.492 175.980 175.510 -0.037 0.000 1.037 19 N CA 0.628 53.665 53.050 -0.022 0.000 0.898 19 N CB 0.198 38.675 38.487 -0.017 0.000 1.010 19 N HN 0.344 nan 8.380 nan 0.000 0.445 20 M N 1.086 120.649 119.600 -0.062 0.000 3.690 20 M HA 0.240 4.722 4.480 0.003 0.000 0.209 20 M C 0.397 176.647 176.300 -0.083 0.000 1.403 20 M CA 0.095 55.341 55.300 -0.090 0.000 1.621 20 M CB -0.181 32.322 32.600 -0.161 0.000 1.056 20 M HN -0.182 nan 8.290 nan 0.000 0.593 21 K N 0.395 120.766 120.400 -0.049 0.000 2.439 21 K HA -0.063 4.259 4.320 0.003 0.000 0.197 21 K C 1.093 177.673 176.600 -0.034 0.000 1.041 21 K CA 0.880 57.146 56.287 -0.035 0.000 0.970 21 K CB 0.110 32.602 32.500 -0.013 0.000 0.773 21 K HN 0.466 nan 8.250 nan 0.000 0.479 22 E N 0.818 120.993 120.200 -0.041 0.000 2.107 22 E HA -0.035 4.317 4.350 0.003 0.000 0.191 22 E C 1.632 178.200 176.600 -0.053 0.000 0.982 22 E CA 0.796 57.174 56.400 -0.037 0.000 0.809 22 E CB 0.169 29.848 29.700 -0.034 0.000 0.756 22 E HN 0.181 nan 8.360 nan 0.000 0.459 23 L N -0.644 120.530 121.223 -0.081 0.000 2.286 23 L HA 0.116 4.458 4.340 0.003 0.000 0.203 23 L C 1.483 178.305 176.870 -0.079 0.000 1.068 23 L CA 0.448 55.233 54.840 -0.091 0.000 0.811 23 L CB 0.169 42.131 42.059 -0.161 0.000 0.989 23 L HN 0.110 nan 8.230 nan 0.000 0.467 24 L N -0.507 120.654 121.223 -0.104 0.000 2.640 24 L HA 0.360 4.702 4.340 0.003 0.000 0.230 24 L C 0.969 177.816 176.870 -0.039 0.000 1.123 24 L CA -0.054 54.740 54.840 -0.077 0.000 0.900 24 L CB -0.408 41.574 42.059 -0.129 0.000 1.146 24 L HN 0.275 nan 8.230 nan 0.000 0.484 25 G N 0.320 109.101 108.800 -0.031 0.000 2.915 25 G HA2 -0.233 3.729 3.960 0.003 0.000 0.337 25 G HA3 -0.233 3.729 3.960 0.003 0.000 0.337 25 G C 0.792 175.682 174.900 -0.017 0.000 1.477 25 G CA -0.270 44.825 45.100 -0.009 0.000 0.916 25 G HN 0.305 nan 8.290 nan 0.000 0.550 26 G N -0.386 108.413 108.800 -0.000 0.000 2.403 26 G HA2 -0.069 3.892 3.960 0.003 0.000 0.216 26 G HA3 -0.069 3.892 3.960 0.003 0.000 0.216 26 G C 1.645 176.534 174.900 -0.018 0.000 1.154 26 G CA 1.550 46.649 45.100 -0.002 0.000 0.784 26 G HN 0.783 nan 8.290 nan 0.000 0.538 27 K N 0.281 120.667 120.400 -0.024 0.000 2.057 27 K HA -0.064 4.258 4.320 0.003 0.000 0.207 27 K C 2.745 179.276 176.600 -0.114 0.000 1.049 27 K CA 1.148 57.403 56.287 -0.054 0.000 0.931 27 K CB -0.407 32.068 32.500 -0.042 0.000 0.714 27 K HN 0.282 nan 8.250 nan 0.000 0.440 28 G N 1.103 109.841 108.800 -0.104 0.000 2.394 28 G HA2 -0.189 3.773 3.960 0.003 0.000 0.215 28 G HA3 -0.189 3.773 3.960 0.003 0.000 0.215 28 G C 1.667 176.479 174.900 -0.148 0.000 1.165 28 G CA 0.859 45.868 45.100 -0.152 0.000 0.784 28 G HN 0.338 nan 8.290 nan 0.000 0.535 29 A N 1.464 124.229 122.820 -0.093 0.000 1.865 29 A HA -0.186 4.135 4.320 0.003 0.000 0.217 29 A C 2.180 179.727 177.584 -0.062 0.000 1.191 29 A CA 2.313 54.307 52.037 -0.072 0.000 0.623 29 A CB -0.837 18.136 19.000 -0.045 0.000 0.826 29 A HN 0.439 nan 8.150 nan 0.000 0.444 30 N N 0.076 118.749 118.700 -0.045 0.000 2.021 30 N HA -0.181 4.561 4.740 0.003 0.000 0.198 30 N C 1.558 177.032 175.510 -0.061 0.000 1.041 30 N CA 2.199 55.243 53.050 -0.010 0.000 0.862 30 N CB -0.551 37.941 38.487 0.008 0.000 1.048 30 N HN 0.453 nan 8.380 nan 0.000 0.427 31 L N 0.029 121.146 121.223 -0.177 0.000 1.978 31 L HA -0.291 4.051 4.340 0.003 0.000 0.218 31 L C 2.517 179.257 176.870 -0.216 0.000 1.075 31 L CA 1.846 56.502 54.840 -0.307 0.000 0.767 31 L CB -0.880 40.731 42.059 -0.746 0.000 0.890 31 L HN 0.298 nan 8.230 nan 0.000 0.434 32 A N -0.269 122.436 122.820 -0.192 0.000 1.869 32 A HA -0.351 3.971 4.320 0.003 0.000 0.218 32 A C 2.249 179.826 177.584 -0.012 0.000 1.203 32 A CA 2.268 54.281 52.037 -0.041 0.000 0.638 32 A CB -0.915 18.079 19.000 -0.011 0.000 0.831 32 A HN 0.552 nan 8.150 nan 0.000 0.450 33 E N -0.954 119.232 120.200 -0.024 0.000 2.108 33 E HA -0.278 4.074 4.350 0.003 0.000 0.203 33 E C 2.069 178.639 176.600 -0.050 0.000 1.022 33 E CA 1.960 58.344 56.400 -0.026 0.000 0.823 33 E CB -0.219 29.482 29.700 0.003 0.000 0.744 33 E HN 0.588 nan 8.360 nan 0.000 0.456 34 M N 0.215 119.803 119.600 -0.019 0.000 2.117 34 M HA -0.126 4.356 4.480 0.003 0.000 0.262 34 M C 2.566 178.869 176.300 0.005 0.000 1.065 34 M CA 1.018 56.318 55.300 -0.000 0.000 1.114 34 M CB -0.603 32.015 32.600 0.030 0.000 1.361 34 M HN 0.241 nan 8.290 nan 0.000 0.408 35 V N 0.862 120.798 119.914 0.036 0.000 2.649 35 V HA -0.162 3.960 4.120 0.003 0.000 0.248 35 V C 1.734 177.861 176.094 0.056 0.000 1.054 35 V CA 1.577 63.925 62.300 0.079 0.000 1.073 35 V CB -0.498 31.417 31.823 0.153 0.000 0.699 35 V HN 0.389 nan 8.190 nan 0.000 0.463 36 N N 0.426 119.148 118.700 0.036 0.000 2.289 36 N HA -0.096 4.646 4.740 0.003 0.000 0.184 36 N C 1.695 177.191 175.510 -0.023 0.000 1.016 36 N CA 1.520 54.582 53.050 0.019 0.000 0.872 36 N CB -0.472 38.022 38.487 0.012 0.000 0.973 36 N HN 0.480 nan 8.380 nan 0.000 0.433 37 L N -0.485 120.701 121.223 -0.062 0.000 2.217 37 L HA -0.011 4.331 4.340 0.003 0.000 0.211 37 L C 0.958 177.793 176.870 -0.058 0.000 1.107 37 L CA 1.081 55.852 54.840 -0.116 0.000 0.783 37 L CB -0.233 41.707 42.059 -0.199 0.000 0.919 37 L HN 0.386 nan 8.230 nan 0.000 0.442 38 G N 0.301 109.091 108.800 -0.018 0.000 2.168 38 G HA2 -0.220 3.742 3.960 0.003 0.000 0.197 38 G HA3 -0.220 3.742 3.960 0.003 0.000 0.197 38 G C 0.277 175.178 174.900 0.002 0.000 0.997 38 G CA 0.100 45.199 45.100 -0.002 0.000 0.658 38 G HN 0.393 nan 8.290 nan 0.000 0.513 39 I N -0.334 120.244 120.570 0.013 0.000 2.440 39 I HA 0.638 4.810 4.170 0.003 0.000 0.294 39 I C -2.055 174.099 176.117 0.061 0.000 0.995 39 I CA -2.708 58.605 61.300 0.022 0.000 1.306 39 I CB 1.843 39.861 38.000 0.031 0.000 1.407 39 I HN -0.093 nan 8.210 nan 0.000 0.501 40 P HA 0.121 nan 4.420 nan 0.000 0.249 40 P C -0.484 176.999 177.300 0.305 0.000 1.737 40 P CA 0.033 63.177 63.100 0.073 0.000 1.128 40 P CB 0.132 31.750 31.700 -0.137 0.000 1.942 41 V N 5.359 125.481 119.914 0.346 0.000 2.439 41 V HA 0.245 4.367 4.120 0.003 0.000 0.282 41 V C -1.953 174.382 176.094 0.403 0.000 1.039 41 V CA -2.241 60.273 62.300 0.358 0.000 0.913 41 V CB 1.157 33.106 31.823 0.210 0.000 0.983 41 V HN 0.236 nan 8.190 nan 0.000 0.460 42 P HA 0.115 nan 4.420 nan 0.000 0.262 42 P C -2.436 174.786 177.300 -0.130 0.000 1.182 42 P CA -0.596 62.253 63.100 -0.419 0.000 0.761 42 P CB -0.124 31.254 31.700 -0.538 0.000 0.795 43 P HA 0.320 nan 4.420 nan 0.000 0.280 43 P C 0.364 177.331 177.300 -0.555 0.000 1.278 43 P CA 0.278 63.185 63.100 -0.322 0.000 0.787 43 P CB 0.388 31.948 31.700 -0.234 0.000 1.163 44 G N -1.757 106.359 108.800 -1.139 0.000 2.352 44 G HA2 0.430 4.392 3.960 0.003 0.000 0.283 44 G HA3 0.430 4.392 3.960 0.003 0.000 0.283 44 G C -1.934 171.974 174.900 -1.654 0.000 1.308 44 G CA -0.706 43.672 45.100 -1.203 0.000 0.892 44 G HN 0.502 nan 8.290 nan 0.000 0.504 45 F N -1.978 117.496 119.950 -0.793 0.000 2.662 45 F HA 0.885 5.414 4.527 0.003 0.000 0.312 45 F C -0.275 175.635 175.800 0.184 0.000 1.113 45 F CA -1.190 56.630 58.000 -0.301 0.000 0.951 45 F CB 1.493 40.392 39.000 -0.169 0.000 1.344 45 F HN 0.513 nan 8.300 nan 0.000 0.462 46 T N 2.292 117.175 114.554 0.549 0.000 2.855 46 T HA 0.669 5.021 4.350 0.003 0.000 0.281 46 T C -0.510 174.435 174.700 0.409 0.000 1.007 46 T CA -0.473 61.868 62.100 0.402 0.000 1.009 46 T CB 1.383 70.432 68.868 0.301 0.000 0.983 46 T HN 0.533 nan 8.240 nan 0.000 0.455 47 I N 3.201 123.967 120.570 0.326 0.000 2.354 47 I HA 0.260 4.432 4.170 0.003 0.000 0.286 47 I C 1.178 177.491 176.117 0.328 0.000 1.007 47 I CA -0.918 60.595 61.300 0.355 0.000 1.167 47 I CB 1.338 39.537 38.000 0.333 0.000 1.320 47 I HN 0.673 nan 8.210 nan 0.000 0.458 48 T N 0.863 115.623 114.554 0.342 0.000 2.937 48 T HA -0.018 4.334 4.350 0.003 0.000 0.316 48 T C 1.553 176.349 174.700 0.160 0.000 1.079 48 T CA 0.101 62.336 62.100 0.225 0.000 1.131 48 T CB 0.906 69.912 68.868 0.230 0.000 1.000 48 T HN 0.822 nan 8.240 nan 0.000 0.549 49 T N 0.312 114.891 114.554 0.041 0.000 2.760 49 T HA -0.213 4.139 4.350 0.003 0.000 0.269 49 T C 1.503 176.154 174.700 -0.082 0.000 1.047 49 T CA 1.759 63.814 62.100 -0.075 0.000 1.139 49 T CB -0.669 68.134 68.868 -0.108 0.000 0.855 49 T HN 0.823 nan 8.240 nan 0.000 0.471 50 E N 1.643 121.872 120.200 0.049 0.000 2.058 50 E HA -0.054 4.298 4.350 0.003 0.000 0.194 50 E C 2.746 179.498 176.600 0.253 0.000 0.997 50 E CA 1.025 57.512 56.400 0.146 0.000 0.801 50 E CB -0.476 29.322 29.700 0.162 0.000 0.746 50 E HN 0.682 nan 8.360 nan 0.000 0.450 51 A N 1.098 124.131 122.820 0.354 0.000 1.892 51 A HA -0.300 4.022 4.320 0.003 0.000 0.218 51 A C 2.453 179.774 177.584 -0.439 0.000 1.188 51 A CA 1.711 53.806 52.037 0.096 0.000 0.631 51 A CB -1.327 17.849 19.000 0.294 0.000 0.822 51 A HN 0.517 nan 8.150 nan 0.000 0.447 52 C N -0.386 118.453 119.300 -0.769 0.000 2.413 52 C HA -0.146 4.316 4.460 0.003 0.000 0.277 52 C C 2.758 177.357 174.990 -0.653 0.000 1.228 52 C CA 2.004 60.186 59.018 -1.394 0.000 1.731 52 C CB -1.073 26.130 27.740 -0.894 0.000 2.042 52 C HN 0.710 nan 8.230 nan 0.000 0.468 53 K N 0.352 120.536 120.400 -0.359 0.000 2.032 53 K HA -0.149 4.173 4.320 0.003 0.000 0.209 53 K C 1.840 178.380 176.600 -0.099 0.000 1.048 53 K CA 2.657 58.839 56.287 -0.175 0.000 0.927 53 K CB -0.845 31.599 32.500 -0.094 0.000 0.712 53 K HN 0.518 nan 8.250 nan 0.000 0.441 54 T N -0.137 114.369 114.554 -0.079 0.000 2.897 54 T HA -0.170 4.182 4.350 0.003 0.000 0.271 54 T C 1.216 175.884 174.700 -0.053 0.000 1.084 54 T CA 1.478 63.547 62.100 -0.052 0.000 1.123 54 T CB -0.410 68.409 68.868 -0.082 0.000 0.865 54 T HN 0.409 nan 8.240 nan 0.000 0.496 55 Y N 1.004 121.191 120.300 -0.189 0.000 2.347 55 Y HA 0.070 4.622 4.550 0.003 0.000 0.294 55 Y C 2.476 178.362 175.900 -0.025 0.000 1.117 55 Y CA 0.776 58.825 58.100 -0.084 0.000 1.184 55 Y CB -0.089 38.356 38.460 -0.025 0.000 1.047 55 Y HN 0.062 nan 8.280 nan 0.000 0.546 56 Q N 0.665 120.451 119.800 -0.023 0.000 2.050 56 Q HA -0.225 4.117 4.340 0.003 0.000 0.202 56 Q C 1.850 177.785 176.000 -0.109 0.000 0.980 56 Q CA 2.261 58.049 55.803 -0.025 0.000 0.840 56 Q CB -0.171 28.625 28.738 0.097 0.000 0.898 56 Q HN 0.761 nan 8.270 nan 0.000 0.424 57 E N -0.916 119.234 120.200 -0.082 0.000 2.502 57 E HA 0.009 4.361 4.350 0.003 0.000 0.194 57 E C -0.198 176.345 176.600 -0.095 0.000 1.062 57 E CA 0.509 56.870 56.400 -0.065 0.000 0.867 57 E CB 0.548 30.233 29.700 -0.026 0.000 0.888 57 E HN -0.030 nan 8.360 nan 0.000 0.510 58 T N -0.245 114.210 114.554 -0.166 0.000 3.225 58 T HA 0.047 4.399 4.350 0.003 0.000 0.356 58 T C -1.017 173.492 174.700 -0.318 0.000 1.460 58 T CA -0.678 61.317 62.100 -0.175 0.000 1.126 58 T CB 1.681 70.487 68.868 -0.102 0.000 1.321 58 T HN 0.125 nan 8.240 nan 0.000 0.478 59 E N 2.580 122.584 120.200 -0.328 0.000 2.322 59 E HA 0.127 4.479 4.350 0.003 0.000 0.195 59 E C 0.534 177.065 176.600 -0.115 0.000 1.198 59 E CA -0.025 56.074 56.400 -0.502 0.000 1.132 59 E CB -0.001 29.549 29.700 -0.250 0.000 1.213 59 E HN 0.663 nan 8.360 nan 0.000 0.450 60 T N -2.509 112.021 114.554 -0.039 0.000 2.940 60 T HA 0.586 4.937 4.350 0.003 0.000 0.288 60 T C 0.006 174.804 174.700 0.163 0.000 1.033 60 T CA -0.821 61.322 62.100 0.071 0.000 1.033 60 T CB 1.627 70.488 68.868 -0.013 0.000 1.079 60 T HN -0.040 nan 8.240 nan 0.000 0.496 61 I N 2.639 123.263 120.570 0.090 0.000 2.382 61 I HA 0.331 4.503 4.170 0.003 0.000 0.285 61 I C -2.242 173.815 176.117 -0.100 0.000 1.007 61 I CA -2.523 58.788 61.300 0.018 0.000 1.142 61 I CB 1.726 39.758 38.000 0.053 0.000 1.289 61 I HN 0.486 nan 8.210 nan 0.000 0.453 62 P HA -0.096 nan 4.420 nan 0.000 0.264 62 P C 0.427 177.623 177.300 -0.174 0.000 1.173 62 P CA 0.107 63.079 63.100 -0.213 0.000 0.761 62 P CB 0.634 32.095 31.700 -0.398 0.000 0.794 63 Q N 2.206 121.940 119.800 -0.111 0.000 2.135 63 Q HA -0.223 4.119 4.340 0.003 0.000 0.204 63 Q C 1.169 177.131 176.000 -0.064 0.000 0.981 63 Q CA 1.903 57.656 55.803 -0.082 0.000 0.856 63 Q CB -0.377 28.332 28.738 -0.049 0.000 0.902 63 Q HN 0.433 nan 8.270 nan 0.000 0.425 64 E N -1.458 118.707 120.200 -0.057 0.000 2.482 64 E HA -0.012 4.340 4.350 0.003 0.000 0.196 64 E C 1.510 178.097 176.600 -0.021 0.000 1.047 64 E CA 0.447 56.852 56.400 0.009 0.000 0.869 64 E CB 0.260 30.027 29.700 0.112 0.000 0.836 64 E HN 0.159 nan 8.360 nan 0.000 0.520 65 V N 0.225 120.033 119.914 -0.177 0.000 2.500 65 V HA -0.053 4.069 4.120 0.003 0.000 0.243 65 V C 2.100 178.202 176.094 0.013 0.000 1.039 65 V CA 1.229 63.432 62.300 -0.162 0.000 1.053 65 V CB -0.537 31.076 31.823 -0.350 0.000 0.695 65 V HN 0.334 nan 8.190 nan 0.000 0.463 66 A N 0.824 123.650 122.820 0.010 0.000 1.848 66 A HA -0.341 3.980 4.320 0.003 0.000 0.217 66 A C 1.945 179.592 177.584 0.105 0.000 1.220 66 A CA 2.495 54.590 52.037 0.097 0.000 0.645 66 A CB -1.114 17.826 19.000 -0.099 0.000 0.842 66 A HN 0.524 nan 8.150 nan 0.000 0.451 67 D N -1.039 119.384 120.400 0.039 0.000 2.204 67 D HA -0.269 4.373 4.640 0.003 0.000 0.189 67 D C 2.014 178.325 176.300 0.019 0.000 1.006 67 D CA 2.065 56.085 54.000 0.034 0.000 0.855 67 D CB -0.692 40.122 40.800 0.022 0.000 0.946 67 D HN 0.689 nan 8.370 nan 0.000 0.448 68 Q N 0.073 119.885 119.800 0.020 0.000 2.096 68 Q HA -0.137 4.205 4.340 0.003 0.000 0.204 68 Q C 2.187 178.114 176.000 -0.123 0.000 0.982 68 Q CA 1.280 57.075 55.803 -0.014 0.000 0.850 68 Q CB 0.086 28.864 28.738 0.067 0.000 0.901 68 Q HN 0.165 nan 8.270 nan 0.000 0.422 69 V N 0.407 120.254 119.914 -0.112 0.000 2.358 69 V HA -0.250 3.871 4.120 0.003 0.000 0.246 69 V C 2.163 178.061 176.094 -0.327 0.000 1.047 69 V CA 2.018 64.122 62.300 -0.326 0.000 1.035 69 V CB -0.561 31.174 31.823 -0.147 0.000 0.658 69 V HN 0.334 nan 8.190 nan 0.000 0.452 70 R N -0.215 120.235 120.500 -0.083 0.000 2.120 70 R HA -0.153 4.189 4.340 0.003 0.000 0.234 70 R C 2.310 178.568 176.300 -0.071 0.000 1.123 70 R CA 1.141 57.226 56.100 -0.026 0.000 0.975 70 R CB -0.260 30.082 30.300 0.071 0.000 0.866 70 R HN 0.428 nan 8.270 nan 0.000 0.446 71 E N 0.400 120.537 120.200 -0.104 0.000 2.153 71 E HA -0.107 4.245 4.350 0.003 0.000 0.194 71 E C 1.396 177.919 176.600 -0.129 0.000 0.988 71 E CA 1.034 57.377 56.400 -0.094 0.000 0.811 71 E CB -0.119 29.529 29.700 -0.087 0.000 0.746 71 E HN 0.355 nan 8.360 nan 0.000 0.466 72 N N -0.313 118.238 118.700 -0.249 0.000 2.402 72 N HA -0.040 4.702 4.740 0.003 0.000 0.174 72 N C 1.933 177.423 175.510 -0.033 0.000 1.027 72 N CA 0.419 53.346 53.050 -0.205 0.000 0.891 72 N CB 0.213 38.420 38.487 -0.466 0.000 1.016 72 N HN -0.005 nan 8.380 nan 0.000 0.439 73 V N 2.029 121.883 119.914 -0.099 0.000 2.332 73 V HA -0.221 3.901 4.120 0.003 0.000 0.248 73 V C 2.575 178.771 176.094 0.170 0.000 1.055 73 V CA 2.141 64.537 62.300 0.160 0.000 1.038 73 V CB -0.819 31.064 31.823 0.099 0.000 0.651 73 V HN 0.427 nan 8.190 nan 0.000 0.450 74 S N -0.440 115.311 115.700 0.085 0.000 2.500 74 S HA -0.164 4.308 4.470 0.003 0.000 0.239 74 S C 1.975 176.607 174.600 0.053 0.000 0.989 74 S CA 1.228 59.471 58.200 0.071 0.000 0.951 74 S CB -0.367 62.854 63.200 0.035 0.000 0.759 74 S HN 0.597 nan 8.310 nan 0.000 0.523 75 R N -0.005 120.532 120.500 0.062 0.000 2.128 75 R HA 0.190 4.532 4.340 0.003 0.000 0.211 75 R C 2.143 178.562 176.300 0.197 0.000 1.067 75 R CA 0.994 57.105 56.100 0.018 0.000 1.010 75 R CB -0.253 29.928 30.300 -0.198 0.000 0.922 75 R HN 0.376 nan 8.270 nan 0.000 0.457 76 V N 1.339 121.458 119.914 0.341 0.000 2.343 76 V HA -0.229 3.893 4.120 0.003 0.000 0.247 76 V C 1.873 178.067 176.094 0.166 0.000 1.051 76 V CA 1.806 64.285 62.300 0.299 0.000 1.036 76 V CB -0.460 31.553 31.823 0.318 0.000 0.654 76 V HN 0.333 nan 8.190 nan 0.000 0.451 77 E N 0.249 120.536 120.200 0.144 0.000 2.049 77 E HA -0.289 4.063 4.350 0.003 0.000 0.198 77 E C 2.332 178.974 176.600 0.071 0.000 1.007 77 E CA 1.666 58.117 56.400 0.085 0.000 0.809 77 E CB -0.238 29.517 29.700 0.092 0.000 0.749 77 E HN 0.520 nan 8.360 nan 0.000 0.450 78 K N 0.427 120.870 120.400 0.071 0.000 2.074 78 K HA -0.267 4.055 4.320 0.003 0.000 0.209 78 K C 2.231 178.874 176.600 0.071 0.000 1.048 78 K CA 1.775 58.094 56.287 0.052 0.000 0.926 78 K CB -0.079 32.437 32.500 0.026 0.000 0.713 78 K HN 0.054 nan 8.250 nan 0.000 0.444 79 E N 0.099 120.365 120.200 0.110 0.000 2.072 79 E HA -0.145 4.207 4.350 0.003 0.000 0.190 79 E C 1.829 178.518 176.600 0.149 0.000 0.982 79 E CA 1.232 57.720 56.400 0.147 0.000 0.803 79 E CB 0.133 29.971 29.700 0.229 0.000 0.755 79 E HN 0.100 nan 8.360 nan 0.000 0.453 80 M N -1.241 118.429 119.600 0.117 0.000 2.287 80 M HA 0.236 4.718 4.480 0.003 0.000 0.266 80 M C 1.885 178.235 176.300 0.082 0.000 1.079 80 M CA 1.450 56.815 55.300 0.107 0.000 1.146 80 M CB 0.076 32.681 32.600 0.010 0.000 1.374 80 M HN 0.471 nan 8.290 nan 0.000 0.435 81 G N -0.297 108.534 108.800 0.053 0.000 2.376 81 G HA2 -0.165 3.797 3.960 0.003 0.000 0.208 81 G HA3 -0.165 3.797 3.960 0.003 0.000 0.208 81 G C 0.554 175.457 174.900 0.005 0.000 1.032 81 G CA 0.225 45.344 45.100 0.032 0.000 0.641 81 G HN 0.740 nan 8.290 nan 0.000 0.503 82 A N 0.138 122.949 122.820 -0.016 0.000 2.261 82 A HA 0.631 4.953 4.320 0.003 0.000 0.275 82 A C 0.471 178.040 177.584 -0.024 0.000 1.246 82 A CA 0.883 52.892 52.037 -0.047 0.000 0.810 82 A CB 0.332 19.277 19.000 -0.091 0.000 1.168 82 A HN 0.392 nan 8.150 nan 0.000 0.506 83 K N -0.373 120.007 120.400 -0.033 0.000 2.541 83 K HA 0.297 4.619 4.320 0.003 0.000 0.250 83 K C -1.756 174.863 176.600 0.031 0.000 0.950 83 K CA -0.422 55.871 56.287 0.009 0.000 0.805 83 K CB 1.312 33.804 32.500 -0.013 0.000 1.166 83 K HN 0.520 nan 8.250 nan 0.000 0.430 84 F N 2.339 122.245 119.950 -0.073 0.000 2.519 84 F HA 0.269 4.798 4.527 0.003 0.000 0.375 84 F C 1.213 176.989 175.800 -0.040 0.000 1.084 84 F CA 1.202 59.156 58.000 -0.076 0.000 1.147 84 F CB -0.006 39.007 39.000 0.021 0.000 1.088 84 F HN 0.860 nan 8.300 nan 0.000 0.555 85 G N 3.949 112.469 108.800 -0.466 0.000 2.159 85 G HA2 -0.244 3.718 3.960 0.003 0.000 0.227 85 G HA3 -0.244 3.718 3.960 0.003 0.000 0.227 85 G C -0.450 174.313 174.900 -0.227 0.000 0.986 85 G CA 0.015 44.843 45.100 -0.452 0.000 0.651 85 G HN 0.835 nan 8.290 nan 0.000 0.523 86 D N 0.438 120.738 120.400 -0.167 0.000 2.427 86 D HA 0.587 5.229 4.640 0.003 0.000 0.226 86 D C -0.877 175.342 176.300 -0.134 0.000 1.076 86 D CA -2.375 51.553 54.000 -0.120 0.000 0.849 86 D CB 1.505 42.255 40.800 -0.084 0.000 1.052 86 D HN 0.045 nan 8.370 nan 0.000 0.515 87 P HA -0.023 nan 4.420 nan 0.000 0.228 87 P C 0.607 177.829 177.300 -0.130 0.000 1.151 87 P CA 0.746 63.770 63.100 -0.126 0.000 0.770 87 P CB 0.352 31.998 31.700 -0.090 0.000 0.786 88 A N -0.714 122.037 122.820 -0.114 0.000 1.871 88 A HA -0.017 4.305 4.320 0.003 0.000 0.211 88 A C 1.309 178.808 177.584 -0.141 0.000 1.207 88 A CA 0.851 52.824 52.037 -0.107 0.000 0.620 88 A CB -0.693 18.263 19.000 -0.073 0.000 0.860 88 A HN 0.208 nan 8.150 nan 0.000 0.450 89 N N 0.595 119.213 118.700 -0.137 0.000 2.804 89 N HA 0.259 5.001 4.740 0.003 0.000 0.251 89 N C -3.106 172.301 175.510 -0.171 0.000 1.250 89 N CA -1.708 51.246 53.050 -0.159 0.000 0.820 89 N CB 1.588 40.012 38.487 -0.105 0.000 1.156 89 N HN 0.165 nan 8.380 nan 0.000 0.512 90 P HA 0.111 nan 4.420 nan 0.000 0.274 90 P C -1.019 176.153 177.300 -0.213 0.000 1.231 90 P CA -0.393 62.565 63.100 -0.236 0.000 0.790 90 P CB 1.888 33.389 31.700 -0.332 0.000 0.951 91 L N 2.893 124.025 121.223 -0.152 0.000 2.381 91 L HA 0.506 4.848 4.340 0.003 0.000 0.274 91 L C -1.307 175.418 176.870 -0.243 0.000 0.988 91 L CA -0.697 54.019 54.840 -0.206 0.000 0.824 91 L CB 1.219 43.148 42.059 -0.217 0.000 1.263 91 L HN 0.213 nan 8.230 nan 0.000 0.410 92 L N 4.647 125.686 121.223 -0.306 0.000 2.342 92 L HA 0.570 4.912 4.340 0.003 0.000 0.271 92 L C -0.936 175.682 176.870 -0.421 0.000 1.008 92 L CA -0.494 54.202 54.840 -0.241 0.000 0.818 92 L CB 1.959 44.003 42.059 -0.025 0.000 1.296 92 L HN 0.561 nan 8.230 nan 0.000 0.427 93 F N -0.020 119.888 119.950 -0.071 0.000 2.523 93 F HA 0.452 4.981 4.527 0.003 0.000 0.329 93 F C 0.455 176.186 175.800 -0.115 0.000 1.061 93 F CA -0.677 57.225 58.000 -0.163 0.000 0.967 93 F CB 2.292 41.132 39.000 -0.268 0.000 1.218 93 F HN 0.411 nan 8.300 nan 0.000 0.480 94 S N 1.055 116.822 115.700 0.112 0.000 2.473 94 S HA 0.794 5.266 4.470 0.003 0.000 0.307 94 S C -1.328 173.266 174.600 -0.009 0.000 1.094 94 S CA -0.619 57.604 58.200 0.038 0.000 1.070 94 S CB 1.488 64.685 63.200 -0.004 0.000 1.019 94 S HN 0.376 nan 8.310 nan 0.000 0.480 95 V N 4.398 124.313 119.914 0.001 0.000 2.444 95 V HA 0.636 4.758 4.120 0.003 0.000 0.294 95 V C -0.260 175.819 176.094 -0.024 0.000 1.022 95 V CA -0.679 61.590 62.300 -0.051 0.000 0.850 95 V CB 1.217 33.004 31.823 -0.061 0.000 0.992 95 V HN 1.020 nan 8.190 nan 0.000 0.426 96 R N 2.381 122.859 120.500 -0.037 0.000 2.808 96 R HA 0.744 5.086 4.340 0.003 0.000 0.272 96 R C -0.626 175.674 176.300 -0.000 0.000 0.995 96 R CA -0.737 55.359 56.100 -0.007 0.000 0.917 96 R CB 1.896 32.194 30.300 -0.003 0.000 1.217 96 R HN 0.657 nan 8.270 nan 0.000 0.471 97 S N -0.201 115.518 115.700 0.033 0.000 2.586 97 S HA 0.538 5.010 4.470 0.003 0.000 0.274 97 S C 0.329 174.968 174.600 0.064 0.000 1.281 97 S CA -0.843 57.395 58.200 0.064 0.000 1.035 97 S CB 1.587 64.854 63.200 0.112 0.000 0.962 97 S HN 0.768 nan 8.310 nan 0.000 0.512 98 G N 0.208 109.054 108.800 0.077 0.000 2.607 98 G HA2 0.602 4.564 3.960 0.003 0.000 0.332 98 G HA3 0.602 4.564 3.960 0.003 0.000 0.332 98 G C -0.290 174.652 174.900 0.071 0.000 1.046 98 G CA -0.457 44.676 45.100 0.055 0.000 1.099 98 G HN 1.430 nan 8.290 nan 0.000 0.451 99 A N 1.335 124.197 122.820 0.070 0.000 1.051 99 A HA 0.568 4.890 4.320 0.003 0.000 0.199 99 A C 0.761 178.388 177.584 0.072 0.000 0.940 99 A CA 0.241 52.328 52.037 0.084 0.000 0.628 99 A CB -0.505 18.584 19.000 0.148 0.000 0.521 99 A HN 1.867 nan 8.150 nan 0.000 0.327 100 A N 1.570 124.417 122.820 0.045 0.000 2.084 100 A HA 0.227 4.549 4.320 0.003 0.000 0.221 100 A C 2.065 179.663 177.584 0.023 0.000 1.161 100 A CA 2.245 54.300 52.037 0.031 0.000 0.653 100 A CB -0.444 18.570 19.000 0.022 0.000 0.802 100 A HN 2.391 nan 8.150 nan 0.000 0.457 101 A N -1.143 121.695 122.820 0.029 0.000 2.208 101 A HA 0.354 4.676 4.320 0.003 0.000 0.202 101 A C 0.852 178.396 177.584 -0.068 0.000 1.327 101 A CA 1.258 53.294 52.037 -0.002 0.000 0.930 101 A CB -0.691 18.326 19.000 0.028 0.000 0.757 101 A HN 0.635 nan 8.150 nan 0.000 0.507 108 D N 0.574 121.024 120.400 0.083 0.000 5.308 108 D HA -0.079 4.563 4.640 0.003 0.000 0.305 108 D C -0.613 175.717 176.300 0.050 0.000 2.365 108 D CA 1.702 55.739 54.000 0.061 0.000 1.346 108 D CB -0.448 40.383 40.800 0.051 0.000 1.074 108 D HN 0.457 nan 8.370 nan 0.000 1.238 109 T N -0.904 113.679 114.554 0.048 0.000 2.993 109 T HA 0.595 4.946 4.350 0.003 0.000 0.312 109 T C -1.519 173.219 174.700 0.064 0.000 1.115 109 T CA -0.517 61.610 62.100 0.046 0.000 1.027 109 T CB 1.232 70.126 68.868 0.043 0.000 1.116 109 T HN 0.241 nan 8.240 nan 0.000 0.464 110 V N 6.048 126.007 119.914 0.075 0.000 2.444 110 V HA 0.551 4.673 4.120 0.003 0.000 0.294 110 V C -0.109 176.067 176.094 0.135 0.000 1.022 110 V CA -0.758 61.621 62.300 0.132 0.000 0.850 110 V CB 1.507 33.434 31.823 0.174 0.000 0.992 110 V HN 0.821 nan 8.190 nan 0.000 0.426 111 L N 4.080 125.398 121.223 0.159 0.000 2.387 111 L HA 0.598 4.939 4.340 0.003 0.000 0.266 111 L C 0.872 177.813 176.870 0.118 0.000 1.059 111 L CA -0.782 54.131 54.840 0.123 0.000 0.801 111 L CB 0.766 42.892 42.059 0.111 0.000 1.223 111 L HN 0.719 nan 8.230 nan 0.000 0.456 112 N N 0.206 118.931 118.700 0.040 0.000 2.708 112 N HA -0.217 4.525 4.740 0.003 0.000 0.251 112 N C -0.333 174.937 175.510 -0.400 0.000 1.123 112 N CA 0.612 53.605 53.050 -0.096 0.000 0.739 112 N CB -1.395 37.038 38.487 -0.089 0.000 1.113 112 N HN 0.472 nan 8.380 nan 0.000 0.561 113 L N 0.410 121.543 121.223 -0.150 0.000 2.540 113 L HA 0.270 4.612 4.340 0.003 0.000 0.276 113 L C 1.416 178.285 176.870 -0.003 0.000 1.212 113 L CA 1.701 56.498 54.840 -0.072 0.000 0.893 113 L CB 0.094 42.273 42.059 0.199 0.000 1.138 113 L HN 0.469 nan 8.230 nan 0.000 0.491 114 G N 3.649 112.425 108.800 -0.041 0.000 2.205 114 G HA2 -0.181 3.781 3.960 0.003 0.000 0.180 114 G HA3 -0.181 3.781 3.960 0.003 0.000 0.180 114 G C -0.082 174.735 174.900 -0.138 0.000 1.004 114 G CA -0.299 44.834 45.100 0.056 0.000 0.670 114 G HN 0.491 nan 8.290 nan 0.000 0.496 115 L N 1.838 122.889 121.223 -0.286 0.000 2.367 115 L HA 0.502 4.844 4.340 0.003 0.000 0.275 115 L C 0.164 177.043 176.870 0.016 0.000 1.129 115 L CA -0.317 54.394 54.840 -0.214 0.000 0.839 115 L CB 0.807 42.687 42.059 -0.298 0.000 1.133 115 L HN 0.585 nan 8.230 nan 0.000 0.453 116 N N 2.202 120.808 118.700 -0.156 0.000 2.823 116 N HA 0.191 4.933 4.740 0.003 0.000 0.251 116 N C -0.208 175.171 175.510 -0.218 0.000 1.392 116 N CA -0.947 52.071 53.050 -0.054 0.000 0.864 116 N CB 1.110 39.621 38.487 0.040 0.000 1.481 116 N HN 0.230 nan 8.380 nan 0.000 0.508 117 K N -0.152 120.201 120.400 -0.079 0.000 2.059 117 K HA -0.143 4.179 4.320 0.003 0.000 0.212 117 K C 1.582 178.119 176.600 -0.106 0.000 1.050 117 K CA 2.430 58.666 56.287 -0.085 0.000 0.927 117 K CB -0.528 32.007 32.500 0.057 0.000 0.714 117 K HN 0.417 nan 8.250 nan 0.000 0.447 118 V N 1.037 120.912 119.914 -0.065 0.000 2.231 118 V HA -0.288 3.834 4.120 0.003 0.000 0.248 118 V C 2.232 178.275 176.094 -0.086 0.000 1.054 118 V CA 2.439 64.704 62.300 -0.059 0.000 1.015 118 V CB -1.202 30.591 31.823 -0.049 0.000 0.638 118 V HN 0.359 nan 8.190 nan 0.000 0.444 119 T N 0.218 114.702 114.554 -0.117 0.000 2.849 119 T HA -0.139 4.213 4.350 0.003 0.000 0.270 119 T C 1.801 176.453 174.700 -0.079 0.000 1.066 119 T CA 1.662 63.692 62.100 -0.117 0.000 1.130 119 T CB -0.227 68.550 68.868 -0.151 0.000 0.864 119 T HN 0.346 nan 8.240 nan 0.000 0.481 120 V N 2.476 122.276 119.914 -0.190 0.000 2.283 120 V HA -0.053 4.069 4.120 0.003 0.000 0.239 120 V C 1.972 177.940 176.094 -0.210 0.000 1.035 120 V CA 1.490 63.620 62.300 -0.283 0.000 1.018 120 V CB -0.510 30.974 31.823 -0.564 0.000 0.658 120 V HN 0.599 nan 8.190 nan 0.000 0.459 121 D N 0.444 120.753 120.400 -0.150 0.000 2.400 121 D HA 0.183 4.825 4.640 0.003 0.000 0.243 121 D C 0.912 177.202 176.300 -0.015 0.000 1.184 121 D CA 0.929 54.896 54.000 -0.056 0.000 0.853 121 D CB 0.633 41.442 40.800 0.015 0.000 0.944 121 D HN 0.429 nan 8.370 nan 0.000 0.501 122 A N -0.655 122.161 122.820 -0.006 0.000 2.242 122 A HA 0.096 4.418 4.320 0.003 0.000 0.205 122 A C 1.471 179.105 177.584 0.083 0.000 1.353 122 A CA -0.373 51.674 52.037 0.018 0.000 1.005 122 A CB -0.550 18.442 19.000 -0.013 0.000 1.127 122 A HN 0.300 nan 8.150 nan 0.000 0.498 123 W N 0.918 122.131 121.300 -0.145 0.000 2.494 123 W HA 0.031 4.693 4.660 0.003 0.000 0.286 123 W C 1.589 178.038 176.519 -0.118 0.000 1.218 123 W CA 1.494 58.754 57.345 -0.143 0.000 1.313 123 W CB -0.428 28.916 29.460 -0.193 0.000 1.105 123 W HN 0.069 nan 8.180 nan 0.000 0.561 124 V N 1.391 121.329 119.914 0.040 0.000 2.307 124 V HA -0.161 3.961 4.120 0.003 0.000 0.245 124 V C 1.992 178.102 176.094 0.027 0.000 1.045 124 V CA 1.808 64.079 62.300 -0.050 0.000 1.024 124 V CB -0.805 30.975 31.823 -0.072 0.000 0.651 124 V HN -0.032 nan 8.190 nan 0.000 0.449 125 R N 0.087 120.611 120.500 0.040 0.000 4.779 125 R HA 0.142 4.484 4.340 0.003 0.000 0.217 125 R C 1.248 177.577 176.300 0.047 0.000 1.934 125 R CA 0.297 56.420 56.100 0.038 0.000 1.623 125 R CB -0.326 29.991 30.300 0.029 0.000 1.364 125 R HN 0.371 nan 8.270 nan 0.000 0.799 126 R N -0.847 119.693 120.500 0.067 0.000 2.243 126 R HA 0.136 4.478 4.340 0.003 0.000 0.168 126 R C -1.406 174.950 176.300 0.093 0.000 0.848 126 R CA 0.668 56.813 56.100 0.076 0.000 1.662 126 R CB 0.881 31.239 30.300 0.097 0.000 1.566 126 R HN 0.198 nan 8.270 nan 0.000 0.460 127 A N 1.100 123.981 122.820 0.102 0.000 2.392 127 A HA 0.341 4.663 4.320 0.003 0.000 0.289 127 A C -2.701 174.907 177.584 0.040 0.000 1.309 127 A CA -0.687 51.401 52.037 0.085 0.000 0.920 127 A CB 0.879 19.967 19.000 0.146 0.000 1.395 127 A HN 0.052 nan 8.150 nan 0.000 0.511 128 P HA 0.168 nan 4.420 nan 0.000 0.258 128 P C 1.203 178.499 177.300 -0.006 0.000 1.416 128 P CA 0.030 63.131 63.100 0.001 0.000 0.927 128 P CB 0.193 31.901 31.700 0.012 0.000 1.444 129 R N 0.022 120.517 120.500 -0.007 0.000 2.148 129 R HA 0.088 4.430 4.340 0.003 0.000 0.227 129 R C 1.175 177.459 176.300 -0.027 0.000 1.103 129 R CA 0.963 57.055 56.100 -0.014 0.000 0.983 129 R CB -0.289 30.002 30.300 -0.014 0.000 0.874 129 R HN 0.286 nan 8.270 nan 0.000 0.451 130 L N -0.090 121.103 121.223 -0.051 0.000 2.818 130 L HA 0.183 4.524 4.340 0.003 0.000 0.243 130 L C 1.704 178.513 176.870 -0.101 0.000 1.185 130 L CA -0.087 54.709 54.840 -0.074 0.000 0.988 130 L CB 0.077 42.053 42.059 -0.138 0.000 1.292 130 L HN 0.158 nan 8.230 nan 0.000 0.519 131 E N 1.611 121.771 120.200 -0.067 0.000 2.160 131 E HA -0.275 4.077 4.350 0.003 0.000 0.195 131 E C 2.195 178.829 176.600 0.057 0.000 0.991 131 E CA 1.275 57.656 56.400 -0.030 0.000 0.810 131 E CB 0.284 30.009 29.700 0.042 0.000 0.742 131 E HN 0.361 nan 8.360 nan 0.000 0.466 132 R N 0.069 120.597 120.500 0.048 0.000 2.075 132 R HA -0.148 4.193 4.340 0.003 0.000 0.232 132 R C 2.073 178.405 176.300 0.053 0.000 1.126 132 R CA 1.668 57.806 56.100 0.064 0.000 0.963 132 R CB -0.926 29.404 30.300 0.051 0.000 0.858 132 R HN 0.275 nan 8.270 nan 0.000 0.435 133 F N 0.223 120.096 119.950 -0.129 0.000 2.113 133 F HA -0.078 4.451 4.527 0.003 0.000 0.297 133 F C 1.757 177.405 175.800 -0.254 0.000 1.103 133 F CA 1.537 59.435 58.000 -0.170 0.000 1.248 133 F CB -0.507 38.367 39.000 -0.210 0.000 0.999 133 F HN -0.111 nan 8.300 nan 0.000 0.475 134 V N -0.011 119.576 119.914 -0.546 0.000 2.252 134 V HA -0.368 3.754 4.120 0.003 0.000 0.249 134 V C 2.219 177.981 176.094 -0.554 0.000 1.056 134 V CA 2.407 64.216 62.300 -0.819 0.000 1.022 134 V CB -1.244 30.017 31.823 -0.938 0.000 0.641 134 V HN 0.396 nan 8.190 nan 0.000 0.445 135 Y N 0.277 120.410 120.300 -0.279 0.000 2.181 135 Y HA -0.214 4.338 4.550 0.003 0.000 0.288 135 Y C 2.467 178.270 175.900 -0.161 0.000 1.146 135 Y CA 1.751 59.763 58.100 -0.147 0.000 1.164 135 Y CB -0.656 37.734 38.460 -0.118 0.000 0.982 135 Y HN 0.301 nan 8.280 nan 0.000 0.515 136 D N -0.389 119.968 120.400 -0.072 0.000 2.126 136 D HA -0.186 4.456 4.640 0.003 0.000 0.190 136 D C 2.171 178.382 176.300 -0.148 0.000 1.001 136 D CA 2.074 56.008 54.000 -0.109 0.000 0.841 136 D CB -0.209 40.518 40.800 -0.123 0.000 0.949 136 D HN 0.204 nan 8.370 nan 0.000 0.446 137 S N -1.056 114.443 115.700 -0.336 0.000 2.382 137 S HA -0.169 4.302 4.470 0.003 0.000 0.228 137 S C 1.791 176.402 174.600 0.019 0.000 1.027 137 S CA 0.774 58.825 58.200 -0.249 0.000 0.991 137 S CB -0.480 62.400 63.200 -0.533 0.000 0.823 137 S HN 0.364 nan 8.310 nan 0.000 0.469 138 Y N 3.520 123.723 120.300 -0.162 0.000 2.133 138 Y HA -0.181 4.371 4.550 0.003 0.000 0.287 138 Y C 2.422 178.305 175.900 -0.028 0.000 1.134 138 Y CA 1.749 59.820 58.100 -0.048 0.000 1.133 138 Y CB -0.753 37.631 38.460 -0.128 0.000 0.987 138 Y HN 0.259 nan 8.280 nan 0.000 0.502 139 R N 0.218 120.669 120.500 -0.082 0.000 2.091 139 R HA -0.127 4.215 4.340 0.003 0.000 0.238 139 R C 2.155 178.443 176.300 -0.021 0.000 1.136 139 R CA 1.708 57.722 56.100 -0.143 0.000 0.959 139 R CB -0.775 29.392 30.300 -0.222 0.000 0.856 139 R HN 0.145 nan 8.270 nan 0.000 0.437 140 R N -0.240 120.269 120.500 0.015 0.000 2.080 140 R HA -0.153 4.189 4.340 0.003 0.000 0.236 140 R C 2.247 178.578 176.300 0.052 0.000 1.137 140 R CA 1.938 58.064 56.100 0.043 0.000 0.943 140 R CB -0.693 29.642 30.300 0.057 0.000 0.846 140 R HN 0.360 nan 8.270 nan 0.000 0.431 141 F N 1.591 121.520 119.950 -0.035 0.000 2.146 141 F HA -0.079 4.450 4.527 0.003 0.000 0.298 141 F C 2.028 177.818 175.800 -0.017 0.000 1.096 141 F CA 1.075 59.091 58.000 0.026 0.000 1.275 141 F CB -0.367 38.696 39.000 0.105 0.000 1.008 141 F HN -0.118 nan 8.300 nan 0.000 0.480 142 I N 0.092 120.303 120.570 -0.597 0.000 2.361 142 I HA -0.307 3.865 4.170 0.003 0.000 0.251 142 I C 2.120 177.851 176.117 -0.643 0.000 1.133 142 I CA 1.734 62.478 61.300 -0.926 0.000 1.413 142 I CB -0.823 36.547 38.000 -1.051 0.000 1.073 142 I HN 0.213 nan 8.210 nan 0.000 0.424 143 T N 0.328 114.553 114.554 -0.550 0.000 2.809 143 T HA -0.116 4.236 4.350 0.003 0.000 0.260 143 T C 1.951 176.483 174.700 -0.279 0.000 1.039 143 T CA 1.012 62.742 62.100 -0.617 0.000 1.141 143 T CB -0.194 68.412 68.868 -0.437 0.000 0.869 143 T HN 0.226 nan 8.240 nan 0.000 0.437 144 M N -0.093 119.424 119.600 -0.138 0.000 2.106 144 M HA -0.161 4.321 4.480 0.003 0.000 0.259 144 M C 2.125 178.403 176.300 -0.036 0.000 1.068 144 M CA 1.806 57.091 55.300 -0.025 0.000 1.100 144 M CB -0.327 32.325 32.600 0.087 0.000 1.351 144 M HN 0.311 nan 8.290 nan 0.000 0.404 145 Y N 0.121 120.281 120.300 -0.232 0.000 2.070 145 Y HA -0.290 4.262 4.550 0.003 0.000 0.279 145 Y C 2.384 178.203 175.900 -0.134 0.000 1.134 145 Y CA 2.225 60.188 58.100 -0.229 0.000 1.113 145 Y CB -0.500 37.687 38.460 -0.455 0.000 0.981 145 Y HN 0.237 nan 8.280 nan 0.000 0.487 146 A N -0.176 122.637 122.820 -0.012 0.000 1.908 146 A HA -0.265 4.057 4.320 0.003 0.000 0.218 146 A C 1.970 179.594 177.584 0.068 0.000 1.181 146 A CA 2.139 54.249 52.037 0.122 0.000 0.627 146 A CB -1.171 18.030 19.000 0.336 0.000 0.818 146 A HN 0.648 nan 8.150 nan 0.000 0.445 147 D N 0.041 120.460 120.400 0.032 0.000 2.088 147 D HA -0.154 4.488 4.640 0.003 0.000 0.191 147 D C 1.782 178.075 176.300 -0.012 0.000 0.992 147 D CA 1.969 55.991 54.000 0.037 0.000 0.831 147 D CB -0.294 40.523 40.800 0.028 0.000 0.973 147 D HN 0.465 nan 8.370 nan 0.000 0.447 148 I N -0.332 120.206 120.570 -0.055 0.000 2.206 148 I HA -0.126 4.046 4.170 0.003 0.000 0.239 148 I C 2.509 178.551 176.117 -0.125 0.000 1.078 148 I CA 0.511 61.772 61.300 -0.066 0.000 1.367 148 I CB -0.202 37.770 38.000 -0.048 0.000 1.078 148 I HN -0.033 nan 8.210 nan 0.000 0.413 149 V N 0.855 120.608 119.914 -0.269 0.000 3.461 149 V HA -0.008 4.113 4.120 0.003 0.000 0.267 149 V C 1.630 177.552 176.094 -0.287 0.000 1.186 149 V CA 1.113 63.192 62.300 -0.368 0.000 1.154 149 V CB 0.102 31.464 31.823 -0.768 0.000 0.802 149 V HN 0.345 nan 8.190 nan 0.000 0.474 150 M N -1.393 118.096 119.600 -0.185 0.000 2.249 150 M HA 0.305 4.787 4.480 0.003 0.000 0.318 150 M C 0.331 176.639 176.300 0.014 0.000 0.930 150 M CA 0.150 55.427 55.300 -0.038 0.000 1.080 150 M CB 0.387 33.044 32.600 0.094 0.000 1.797 150 M HN 0.334 nan 8.290 nan 0.000 0.619 151 Q N 0.770 120.572 119.800 0.004 0.000 2.453 151 Q HA -0.127 4.215 4.340 0.003 0.000 0.350 151 Q C 0.313 176.335 176.000 0.038 0.000 1.447 151 Q CA 0.530 56.344 55.803 0.019 0.000 0.968 151 Q CB -2.097 26.648 28.738 0.012 0.000 1.175 151 Q HN 0.346 nan 8.270 nan 0.000 0.354 152 V N -1.318 118.637 119.914 0.067 0.000 3.276 152 V HA 0.497 4.619 4.120 0.003 0.000 0.319 152 V C 0.653 176.782 176.094 0.058 0.000 1.476 152 V CA 1.431 63.773 62.300 0.070 0.000 1.097 152 V CB 0.612 32.507 31.823 0.120 0.000 0.988 152 V HN 1.087 nan 8.190 nan 0.000 0.473 153 G N 1.566 110.402 108.800 0.060 0.000 2.660 153 G HA2 -0.178 3.784 3.960 0.003 0.000 0.215 153 G HA3 -0.178 3.784 3.960 0.003 0.000 0.215 153 G C 0.045 175.002 174.900 0.096 0.000 1.345 153 G CA 0.175 45.300 45.100 0.042 0.000 0.877 153 G HN 0.475 nan 8.290 nan 0.000 0.549 154 R N -1.057 119.479 120.500 0.060 0.000 2.424 154 R HA 0.112 4.454 4.340 0.003 0.000 0.175 154 R C 1.525 177.841 176.300 0.027 0.000 0.929 154 R CA 0.588 56.767 56.100 0.132 0.000 1.790 154 R CB -0.000 30.369 30.300 0.115 0.000 1.653 154 R HN 0.447 nan 8.270 nan 0.000 0.487 155 E N 1.576 121.766 120.200 -0.017 0.000 2.393 155 E HA -0.176 4.176 4.350 0.003 0.000 0.201 155 E C 0.842 177.392 176.600 -0.084 0.000 1.025 155 E CA 1.233 57.612 56.400 -0.034 0.000 0.856 155 E CB -0.077 29.602 29.700 -0.035 0.000 0.771 155 E HN 0.273 nan 8.360 nan 0.000 0.526 156 D N -1.127 119.160 120.400 -0.189 0.000 2.338 156 D HA 0.060 4.702 4.640 0.003 0.000 0.224 156 D C 1.417 177.506 176.300 -0.352 0.000 0.967 156 D CA 0.433 54.240 54.000 -0.322 0.000 0.896 156 D CB -0.008 40.490 40.800 -0.503 0.000 1.028 156 D HN 0.225 nan 8.370 nan 0.000 0.493 157 F N 1.301 121.155 119.950 -0.160 0.000 2.259 157 F HA -0.042 4.487 4.527 0.003 0.000 0.298 157 F C 2.445 178.211 175.800 -0.057 0.000 1.088 157 F CA 0.406 58.228 58.000 -0.297 0.000 1.358 157 F CB 0.069 38.682 39.000 -0.645 0.000 1.040 157 F HN -0.162 nan 8.300 nan 0.000 0.505 158 E N 0.931 121.204 120.200 0.121 0.000 2.051 158 E HA -0.201 4.151 4.350 0.003 0.000 0.192 158 E C 2.007 178.656 176.600 0.082 0.000 0.991 158 E CA 1.499 57.962 56.400 0.104 0.000 0.799 158 E CB -0.217 29.522 29.700 0.065 0.000 0.748 158 E HN 0.379 nan 8.360 nan 0.000 0.449 159 E N -0.641 119.581 120.200 0.037 0.000 2.031 159 E HA -0.167 4.185 4.350 0.003 0.000 0.193 159 E C 1.917 178.549 176.600 0.052 0.000 0.994 159 E CA 1.010 57.425 56.400 0.024 0.000 0.800 159 E CB -0.216 29.476 29.700 -0.013 0.000 0.752 159 E HN 0.318 nan 8.360 nan 0.000 0.447 160 A N 0.898 123.765 122.820 0.079 0.000 2.125 160 A HA -0.140 4.182 4.320 0.003 0.000 0.219 160 A C 1.990 179.676 177.584 0.170 0.000 1.156 160 A CA 0.736 52.849 52.037 0.128 0.000 0.671 160 A CB -0.306 18.803 19.000 0.181 0.000 0.794 160 A HN 0.223 nan 8.150 nan 0.000 0.459 161 L N 0.602 121.948 121.223 0.206 0.000 1.993 161 L HA -0.085 4.257 4.340 0.003 0.000 0.206 161 L C 2.635 179.551 176.870 0.076 0.000 1.074 161 L CA 2.928 57.865 54.840 0.161 0.000 0.746 161 L CB -1.120 41.060 42.059 0.202 0.000 0.896 161 L HN 0.376 nan 8.230 nan 0.000 0.435 162 S N -0.531 115.207 115.700 0.064 0.000 2.400 162 S HA -0.255 4.217 4.470 0.003 0.000 0.232 162 S C 2.125 176.733 174.600 0.014 0.000 1.025 162 S CA 1.279 59.495 58.200 0.027 0.000 0.993 162 S CB -0.817 62.394 63.200 0.019 0.000 0.808 162 S HN 0.476 nan 8.310 nan 0.000 0.478 163 R N -0.017 120.498 120.500 0.024 0.000 2.241 163 R HA 0.165 4.507 4.340 0.003 0.000 0.224 163 R C 2.103 178.407 176.300 0.007 0.000 1.101 163 R CA 0.965 57.072 56.100 0.013 0.000 0.995 163 R CB -0.176 30.136 30.300 0.019 0.000 0.870 163 R HN 0.429 nan 8.270 nan 0.000 0.463 164 M N -0.721 118.885 119.600 0.010 0.000 2.414 164 M HA 0.005 4.487 4.480 0.003 0.000 0.251 164 M C 1.080 177.372 176.300 -0.013 0.000 1.116 164 M CA 0.743 56.040 55.300 -0.004 0.000 1.056 164 M CB 0.433 33.028 32.600 -0.009 0.000 1.388 164 M HN -0.038 nan 8.290 nan 0.000 0.487 165 K N 0.489 120.882 120.400 -0.012 0.000 2.186 165 K HA -0.103 4.219 4.320 0.003 0.000 0.202 165 K C 1.667 178.244 176.600 -0.040 0.000 1.052 165 K CA 1.257 57.528 56.287 -0.027 0.000 0.965 165 K CB 0.126 32.606 32.500 -0.034 0.000 0.746 165 K HN 0.502 nan 8.250 nan 0.000 0.457 166 E N 0.856 121.036 120.200 -0.033 0.000 2.152 166 E HA -0.143 4.209 4.350 0.003 0.000 0.192 166 E C 1.796 178.379 176.600 -0.028 0.000 0.983 166 E CA 0.579 56.958 56.400 -0.035 0.000 0.818 166 E CB -0.089 29.594 29.700 -0.029 0.000 0.758 166 E HN 0.130 nan 8.360 nan 0.000 0.467 167 R N 0.142 120.628 120.500 -0.022 0.000 2.152 167 R HA 0.052 4.393 4.340 0.003 0.000 0.232 167 R C 1.999 178.286 176.300 -0.020 0.000 1.117 167 R CA 0.934 57.022 56.100 -0.019 0.000 0.981 167 R CB 0.065 30.355 30.300 -0.017 0.000 0.870 167 R HN 0.102 nan 8.270 nan 0.000 0.451 168 R N -1.269 119.218 120.500 -0.023 0.000 2.308 168 R HA 0.140 4.482 4.340 0.003 0.000 0.202 168 R C 1.086 177.374 176.300 -0.021 0.000 0.898 168 R CA 0.791 56.880 56.100 -0.020 0.000 1.046 168 R CB 0.897 31.186 30.300 -0.017 0.000 1.026 168 R HN 0.405 nan 8.270 nan 0.000 0.512 169 G N 1.549 110.330 108.800 -0.032 0.000 2.141 169 G HA2 -0.277 3.685 3.960 0.003 0.000 0.231 169 G HA3 -0.277 3.685 3.960 0.003 0.000 0.231 169 G C 0.327 175.189 174.900 -0.063 0.000 0.984 169 G CA 0.602 45.678 45.100 -0.040 0.000 0.660 169 G HN 0.460 nan 8.290 nan 0.000 0.525 170 T N -3.252 111.251 114.554 -0.085 0.000 2.919 170 T HA 0.733 5.084 4.350 0.003 0.000 0.282 170 T C 0.741 175.256 174.700 -0.309 0.000 1.020 170 T CA -0.017 61.977 62.100 -0.177 0.000 0.994 170 T CB 2.314 71.139 68.868 -0.071 0.000 1.180 170 T HN 0.102 nan 8.240 nan 0.000 0.566 171 K N -0.981 119.001 120.400 -0.697 0.000 2.358 171 K HA 0.336 4.658 4.320 0.003 0.000 0.200 171 K C -0.870 175.389 176.600 -0.568 0.000 1.030 171 K CA -0.324 55.560 56.287 -0.671 0.000 1.097 171 K CB 0.248 32.279 32.500 -0.782 0.000 0.862 171 K HN 0.591 nan 8.250 nan 0.000 0.534 172 F N 0.123 120.080 119.950 0.012 0.000 2.492 172 F HA 0.230 4.759 4.527 0.003 0.000 0.327 172 F C 0.688 176.495 175.800 0.012 0.000 1.079 172 F CA -1.281 56.727 58.000 0.013 0.000 0.967 172 F CB 1.546 40.554 39.000 0.012 0.000 1.169 172 F HN -0.122 nan 8.300 nan 0.000 0.472 173 D N -0.326 120.203 120.400 0.215 0.000 2.269 173 D HA -0.084 4.558 4.640 0.003 0.000 0.208 173 D C 1.931 178.299 176.300 0.113 0.000 0.963 173 D CA 1.044 55.117 54.000 0.121 0.000 0.864 173 D CB -0.518 40.339 40.800 0.093 0.000 0.936 173 D HN 0.504 nan 8.370 nan 0.000 0.505 174 T N 0.678 115.318 114.554 0.143 0.000 2.897 174 T HA -0.114 4.238 4.350 0.003 0.000 0.271 174 T C 1.002 175.750 174.700 0.080 0.000 1.084 174 T CA 1.099 63.248 62.100 0.082 0.000 1.123 174 T CB -0.048 68.835 68.868 0.024 0.000 0.865 174 T HN 0.175 nan 8.240 nan 0.000 0.496 175 D N 0.083 120.555 120.400 0.119 0.000 2.301 175 D HA 0.129 4.771 4.640 0.003 0.000 0.206 175 D C 0.408 176.737 176.300 0.048 0.000 0.979 175 D CA -0.033 54.021 54.000 0.090 0.000 0.874 175 D CB -0.111 40.767 40.800 0.129 0.000 0.968 175 D HN 0.232 nan 8.370 nan 0.000 0.510 176 L N 2.053 123.301 121.223 0.040 0.000 2.559 176 L HA 0.024 4.366 4.340 0.003 0.000 0.282 176 L C 1.108 177.974 176.870 -0.007 0.000 1.232 176 L CA 0.581 55.424 54.840 0.005 0.000 0.885 176 L CB 0.130 42.186 42.059 -0.005 0.000 1.131 176 L HN -0.017 nan 8.230 nan 0.000 0.498 177 T N -0.194 114.343 114.554 -0.028 0.000 2.936 177 T HA 0.593 4.945 4.350 0.003 0.000 0.282 177 T C 1.338 175.998 174.700 -0.067 0.000 1.003 177 T CA -0.338 61.741 62.100 -0.034 0.000 1.005 177 T CB 1.195 70.042 68.868 -0.034 0.000 1.097 177 T HN 0.600 nan 8.240 nan 0.000 0.532 178 A N 1.641 124.427 122.820 -0.056 0.000 1.944 178 A HA -0.234 4.088 4.320 0.003 0.000 0.222 178 A C 2.481 179.930 177.584 -0.225 0.000 1.237 178 A CA 3.070 55.053 52.037 -0.090 0.000 0.668 178 A CB -1.799 17.179 19.000 -0.037 0.000 0.830 178 A HN 1.135 nan 8.150 nan 0.000 0.471 179 S N -0.228 115.371 115.700 -0.168 0.000 2.402 179 S HA -0.146 4.325 4.470 0.003 0.000 0.229 179 S C 1.409 175.892 174.600 -0.195 0.000 1.021 179 S CA 1.283 59.369 58.200 -0.190 0.000 0.974 179 S CB -0.484 62.647 63.200 -0.116 0.000 0.800 179 S HN 0.585 nan 8.310 nan 0.000 0.484 180 D N 2.227 122.537 120.400 -0.150 0.000 2.084 180 D HA 0.047 4.689 4.640 0.003 0.000 0.196 180 D C 2.042 178.234 176.300 -0.180 0.000 0.985 180 D CA 0.912 54.832 54.000 -0.132 0.000 0.826 180 D CB -0.554 40.195 40.800 -0.086 0.000 0.978 180 D HN 0.340 nan 8.370 nan 0.000 0.456 181 L N 0.754 121.862 121.223 -0.192 0.000 2.046 181 L HA -0.173 4.168 4.340 0.003 0.000 0.208 181 L C 2.505 179.196 176.870 -0.298 0.000 1.077 181 L CA 1.187 55.903 54.840 -0.207 0.000 0.747 181 L CB -0.453 41.539 42.059 -0.112 0.000 0.896 181 L HN 0.022 nan 8.230 nan 0.000 0.432 182 K N 0.461 120.552 120.400 -0.516 0.000 2.074 182 K HA -0.251 4.071 4.320 0.003 0.000 0.209 182 K C 1.962 178.380 176.600 -0.302 0.000 1.048 182 K CA 1.750 57.637 56.287 -0.666 0.000 0.926 182 K CB -0.044 31.891 32.500 -0.942 0.000 0.713 182 K HN 0.329 nan 8.250 nan 0.000 0.444 183 E N 0.421 120.471 120.200 -0.250 0.000 2.023 183 E HA -0.225 4.127 4.350 0.003 0.000 0.196 183 E C 2.093 178.587 176.600 -0.177 0.000 1.003 183 E CA 1.303 57.606 56.400 -0.163 0.000 0.809 183 E CB -0.184 29.438 29.700 -0.130 0.000 0.755 183 E HN 0.188 nan 8.360 nan 0.000 0.449 184 L N 1.082 122.157 121.223 -0.247 0.000 1.976 184 L HA -0.316 4.026 4.340 0.003 0.000 0.223 184 L C 2.544 179.078 176.870 -0.561 0.000 1.081 184 L CA 1.976 56.565 54.840 -0.419 0.000 0.784 184 L CB -0.864 40.899 42.059 -0.493 0.000 0.896 184 L HN 0.300 nan 8.230 nan 0.000 0.438 185 C N -0.773 118.254 119.300 -0.455 0.000 2.391 185 C HA -0.219 4.243 4.460 0.003 0.000 0.276 185 C C 2.486 177.392 174.990 -0.139 0.000 1.217 185 C CA 1.052 59.873 59.018 -0.329 0.000 1.766 185 C CB -1.207 26.483 27.740 -0.084 0.000 2.046 185 C HN 0.610 nan 8.230 nan 0.000 0.475 186 D N 0.002 120.356 120.400 -0.076 0.000 2.144 186 D HA -0.047 4.595 4.640 0.003 0.000 0.200 186 D C 2.316 178.646 176.300 0.049 0.000 0.978 186 D CA 1.647 55.650 54.000 0.005 0.000 0.833 186 D CB -0.445 40.355 40.800 -0.001 0.000 0.961 186 D HN 0.594 nan 8.370 nan 0.000 0.470 187 G N -0.388 108.440 108.800 0.047 0.000 2.403 187 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 187 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 187 G C 1.393 176.463 174.900 0.283 0.000 1.154 187 G CA 0.180 45.358 45.100 0.130 0.000 0.784 187 G HN 0.209 nan 8.290 nan 0.000 0.538 188 Y N 0.864 121.212 120.300 0.080 0.000 2.207 188 Y HA 0.022 4.574 4.550 0.003 0.000 0.287 188 Y C 2.756 178.752 175.900 0.160 0.000 1.156 188 Y CA 0.114 58.315 58.100 0.167 0.000 1.182 188 Y CB -0.632 37.782 38.460 -0.078 0.000 0.979 188 Y HN 0.092 nan 8.280 nan 0.000 0.521 189 L N -0.125 121.221 121.223 0.204 0.000 2.131 189 L HA -0.205 4.137 4.340 0.003 0.000 0.210 189 L C 2.246 179.288 176.870 0.286 0.000 1.092 189 L CA 2.043 56.983 54.840 0.167 0.000 0.759 189 L CB -0.419 41.695 42.059 0.092 0.000 0.903 189 L HN 0.352 nan 8.230 nan 0.000 0.435 190 E N -0.417 119.919 120.200 0.227 0.000 2.276 190 E HA -0.156 4.196 4.350 0.003 0.000 0.193 190 E C 2.182 178.886 176.600 0.173 0.000 0.983 190 E CA 0.127 56.634 56.400 0.180 0.000 0.861 190 E CB -0.308 29.463 29.700 0.119 0.000 0.817 190 E HN 0.212 nan 8.360 nan 0.000 0.485 191 L N 0.808 122.157 121.223 0.210 0.000 2.131 191 L HA -0.051 4.291 4.340 0.003 0.000 0.210 191 L C 2.010 178.998 176.870 0.198 0.000 1.092 191 L CA 1.521 56.448 54.840 0.145 0.000 0.759 191 L CB -0.644 41.499 42.059 0.140 0.000 0.903 191 L HN 0.228 nan 8.230 nan 0.000 0.435 192 F N 1.031 121.114 119.950 0.222 0.000 2.074 192 F HA -0.128 4.401 4.527 0.003 0.000 0.293 192 F C 2.293 178.190 175.800 0.163 0.000 1.116 192 F CA 1.666 59.821 58.000 0.259 0.000 1.212 192 F CB -0.566 38.641 39.000 0.346 0.000 0.998 192 F HN 0.277 nan 8.300 nan 0.000 0.471 193 E N 0.001 120.269 120.200 0.113 0.000 2.453 193 E HA -0.125 4.226 4.350 0.003 0.000 0.207 193 E C 0.942 177.506 176.600 -0.061 0.000 1.212 193 E CA 0.250 56.631 56.400 -0.032 0.000 0.959 193 E CB -0.340 29.427 29.700 0.110 0.000 0.957 193 E HN 0.479 nan 8.360 nan 0.000 0.540 194 L N -0.631 120.543 121.223 -0.081 0.000 2.865 194 L HA 0.128 4.470 4.340 0.003 0.000 0.167 194 L C 1.547 178.363 176.870 -0.091 0.000 1.135 194 L CA 0.188 54.991 54.840 -0.061 0.000 0.895 194 L CB -0.123 41.922 42.059 -0.023 0.000 1.643 194 L HN -0.204 nan 8.230 nan 0.000 0.518 195 K N 0.642 120.987 120.400 -0.091 0.000 2.242 195 K HA -0.114 4.207 4.320 0.003 0.000 0.206 195 K C 0.489 177.020 176.600 -0.115 0.000 1.045 195 K CA 1.485 57.715 56.287 -0.095 0.000 0.930 195 K CB -0.736 31.714 32.500 -0.083 0.000 0.726 195 K HN 0.675 nan 8.250 nan 0.000 0.462 196 T N -6.340 108.094 114.554 -0.200 0.000 2.888 196 T HA 0.524 4.876 4.350 0.003 0.000 0.288 196 T C 1.253 175.832 174.700 -0.202 0.000 1.063 196 T CA -0.334 61.636 62.100 -0.216 0.000 1.010 196 T CB 1.771 70.440 68.868 -0.332 0.000 1.214 196 T HN -0.020 nan 8.240 nan 0.000 0.533 197 G N -0.556 108.157 108.800 -0.144 0.000 2.421 197 G HA2 0.123 4.085 3.960 0.003 0.000 0.217 197 G HA3 0.123 4.085 3.960 0.003 0.000 0.217 197 G C 0.662 175.503 174.900 -0.099 0.000 1.143 197 G CA 0.567 45.608 45.100 -0.097 0.000 0.784 197 G HN 1.012 nan 8.290 nan 0.000 0.541 198 C N 0.257 119.474 119.300 -0.138 0.000 2.325 198 C HA 0.745 5.207 4.460 0.003 0.000 0.370 198 C C 0.954 175.898 174.990 -0.077 0.000 1.217 198 C CA -0.818 58.159 59.018 -0.068 0.000 2.254 198 C CB 1.246 28.979 27.740 -0.011 0.000 2.282 198 C HN 0.420 nan 8.230 nan 0.000 0.564 199 S N -0.226 115.528 115.700 0.089 0.000 2.672 199 S HA 0.556 5.028 4.470 0.003 0.000 0.276 199 S C -0.632 174.277 174.600 0.515 0.000 1.207 199 S CA -0.364 57.994 58.200 0.264 0.000 1.002 199 S CB 0.328 63.659 63.200 0.219 0.000 0.998 199 S HN 0.584 nan 8.310 nan 0.000 0.542 200 F N 2.624 122.895 119.950 0.536 0.000 2.557 200 F HA 0.297 4.825 4.527 0.003 0.000 0.384 200 F C -2.077 173.799 175.800 0.127 0.000 1.057 200 F CA -1.637 56.527 58.000 0.274 0.000 1.169 200 F CB -0.028 38.915 39.000 -0.095 0.000 1.070 200 F HN 0.421 nan 8.300 nan 0.000 0.554 201 P HA -0.108 nan 4.420 nan 0.000 0.251 201 P C -0.074 177.254 177.300 0.046 0.000 1.154 201 P CA 0.495 63.536 63.100 -0.098 0.000 0.805 201 P CB 0.377 31.909 31.700 -0.280 0.000 0.759 202 Q N 1.128 121.001 119.800 0.122 0.000 2.245 202 Q HA -0.062 4.280 4.340 0.003 0.000 0.201 202 Q C 0.451 176.486 176.000 0.059 0.000 0.955 202 Q CA 0.971 56.852 55.803 0.131 0.000 0.870 202 Q CB -0.167 28.637 28.738 0.110 0.000 0.945 202 Q HN 0.479 nan 8.270 nan 0.000 0.461 203 D N 2.224 122.651 120.400 0.044 0.000 2.342 203 D HA 0.011 4.653 4.640 0.003 0.000 0.260 203 D C -1.530 174.785 176.300 0.025 0.000 1.278 203 D CA -1.876 52.139 54.000 0.025 0.000 0.910 203 D CB 1.162 41.996 40.800 0.056 0.000 1.079 203 D HN -0.013 nan 8.370 nan 0.000 0.496 204 P HA -0.125 nan 4.420 nan 0.000 0.223 204 P C 1.417 178.817 177.300 0.165 0.000 1.151 204 P CA 0.329 63.386 63.100 -0.071 0.000 0.787 204 P CB 0.550 31.920 31.700 -0.551 0.000 0.788 205 V N -0.357 119.654 119.914 0.161 0.000 2.407 205 V HA -0.169 3.953 4.120 0.003 0.000 0.245 205 V C 2.804 179.094 176.094 0.328 0.000 1.041 205 V CA 1.625 64.118 62.300 0.323 0.000 1.040 205 V CB -1.005 31.011 31.823 0.322 0.000 0.671 205 V HN -0.012 nan 8.190 nan 0.000 0.455 206 M N -0.652 119.121 119.600 0.289 0.000 2.065 206 M HA -0.278 4.203 4.480 0.003 0.000 0.259 206 M C 2.348 178.814 176.300 0.276 0.000 1.069 206 M CA 2.006 57.489 55.300 0.306 0.000 1.110 206 M CB -0.586 32.127 32.600 0.189 0.000 1.328 206 M HN 0.291 nan 8.290 nan 0.000 0.405 207 Q N -0.179 119.744 119.800 0.205 0.000 2.197 207 Q HA -0.275 4.067 4.340 0.003 0.000 0.211 207 Q C 2.040 178.206 176.000 0.276 0.000 0.993 207 Q CA 1.637 57.582 55.803 0.237 0.000 0.883 207 Q CB -0.496 28.358 28.738 0.194 0.000 0.916 207 Q HN 0.409 nan 8.270 nan 0.000 0.418 208 L N -0.495 120.838 121.223 0.183 0.000 2.023 208 L HA -0.102 4.240 4.340 0.003 0.000 0.205 208 L C 1.870 178.666 176.870 -0.123 0.000 1.073 208 L CA 1.676 56.504 54.840 -0.020 0.000 0.745 208 L CB -0.622 41.307 42.059 -0.216 0.000 0.900 208 L HN 0.066 nan 8.230 nan 0.000 0.435 209 F N 0.193 120.194 119.950 0.086 0.000 2.134 209 F HA -0.130 4.399 4.527 0.003 0.000 0.299 209 F C 2.562 178.356 175.800 -0.010 0.000 1.097 209 F CA 1.284 59.295 58.000 0.019 0.000 1.264 209 F CB -1.427 37.594 39.000 0.035 0.000 1.001 209 F HN 0.199 nan 8.300 nan 0.000 0.479 210 A N 0.368 123.324 122.820 0.228 0.000 1.892 210 A HA -0.215 4.107 4.320 0.003 0.000 0.218 210 A C 2.487 180.078 177.584 0.012 0.000 1.188 210 A CA 2.330 54.444 52.037 0.128 0.000 0.631 210 A CB -1.450 17.679 19.000 0.214 0.000 0.822 210 A HN 0.339 nan 8.150 nan 0.000 0.447 211 A N 0.326 123.169 122.820 0.039 0.000 1.859 211 A HA -0.191 4.131 4.320 0.003 0.000 0.217 211 A C 2.129 179.620 177.584 -0.155 0.000 1.198 211 A CA 1.857 53.873 52.037 -0.035 0.000 0.629 211 A CB -0.820 18.184 19.000 0.007 0.000 0.830 211 A HN 0.567 nan 8.150 nan 0.000 0.446 212 I N -0.519 119.928 120.570 -0.205 0.000 2.091 212 I HA -0.325 3.847 4.170 0.003 0.000 0.239 212 I C 2.383 178.117 176.117 -0.638 0.000 1.061 212 I CA 2.089 63.130 61.300 -0.432 0.000 1.317 212 I CB -0.936 36.865 38.000 -0.332 0.000 1.031 212 I HN 0.352 nan 8.210 nan 0.000 0.401 213 K N 1.103 121.263 120.400 -0.400 0.000 2.160 213 K HA -0.170 4.152 4.320 0.003 0.000 0.206 213 K C 2.210 178.593 176.600 -0.362 0.000 1.047 213 K CA 1.644 57.654 56.287 -0.461 0.000 0.930 213 K CB -0.265 32.110 32.500 -0.209 0.000 0.720 213 K HN 0.404 nan 8.250 nan 0.000 0.450 214 A N 0.878 123.567 122.820 -0.219 0.000 1.970 214 A HA -0.047 4.275 4.320 0.003 0.000 0.216 214 A C 2.325 179.864 177.584 -0.075 0.000 1.170 214 A CA 0.834 52.803 52.037 -0.115 0.000 0.645 214 A CB -0.267 18.666 19.000 -0.112 0.000 0.816 214 A HN 0.050 nan 8.150 nan 0.000 0.447 215 V N -0.833 118.992 119.914 -0.148 0.000 2.307 215 V HA -0.192 3.930 4.120 0.003 0.000 0.245 215 V C 2.229 178.397 176.094 0.123 0.000 1.045 215 V CA 1.695 63.962 62.300 -0.054 0.000 1.024 215 V CB -1.040 30.689 31.823 -0.157 0.000 0.651 215 V HN 0.535 nan 8.190 nan 0.000 0.449 216 F N 0.397 120.302 119.950 -0.075 0.000 2.333 216 F HA -0.067 4.462 4.527 0.003 0.000 0.300 216 F C 2.472 178.352 175.800 0.132 0.000 1.083 216 F CA 1.115 59.090 58.000 -0.041 0.000 1.395 216 F CB -0.832 37.979 39.000 -0.315 0.000 1.056 216 F HN 0.078 nan 8.300 nan 0.000 0.529 217 R N -0.344 120.300 120.500 0.241 0.000 2.100 217 R HA -0.032 4.310 4.340 0.003 0.000 0.220 217 R C 2.034 178.479 176.300 0.242 0.000 1.091 217 R CA 0.979 57.247 56.100 0.280 0.000 0.986 217 R CB -0.234 30.173 30.300 0.179 0.000 0.888 217 R HN 0.040 nan 8.270 nan 0.000 0.444 218 S N 0.350 116.169 115.700 0.199 0.000 2.584 218 S HA -0.121 4.351 4.470 0.003 0.000 0.240 218 S C 0.816 175.560 174.600 0.240 0.000 0.975 218 S CA 0.537 58.838 58.200 0.169 0.000 0.949 218 S CB -0.188 63.093 63.200 0.136 0.000 0.761 218 S HN 0.514 nan 8.310 nan 0.000 0.536 219 W N 1.453 122.829 121.300 0.127 0.000 2.644 219 W HA 0.176 4.838 4.660 0.004 0.000 0.279 219 W C 1.706 178.286 176.519 0.101 0.000 1.164 219 W CA 0.686 58.108 57.345 0.128 0.000 1.457 219 W CB -0.633 28.920 29.460 0.154 0.000 1.087 219 W HN 0.309 nan 8.180 nan 0.000 0.573 220 G N 1.679 110.635 108.800 0.260 0.000 2.598 220 G HA2 -0.218 3.744 3.960 0.003 0.000 0.215 220 G HA3 -0.218 3.744 3.960 0.003 0.000 0.215 220 G C 0.624 175.528 174.900 0.006 0.000 1.131 220 G CA -0.129 45.036 45.100 0.108 0.000 0.785 220 G HN 0.108 nan 8.290 nan 0.000 0.539 221 N N 1.367 120.076 118.700 0.014 0.000 2.138 221 N HA -0.038 4.704 4.740 0.003 0.000 0.271 221 N C -0.714 174.740 175.510 -0.094 0.000 1.272 221 N CA -1.232 51.800 53.050 -0.029 0.000 0.819 221 N CB 1.402 39.867 38.487 -0.037 0.000 1.052 221 N HN -0.003 nan 8.380 nan 0.000 0.479 222 P HA -0.216 nan 4.420 nan 0.000 0.215 222 P C 0.878 178.089 177.300 -0.148 0.000 1.153 222 P CA 1.507 64.552 63.100 -0.091 0.000 0.853 222 P CB -0.044 31.621 31.700 -0.059 0.000 0.788 223 R N 0.068 120.469 120.500 -0.166 0.000 2.397 223 R HA 0.050 4.392 4.340 0.003 0.000 0.213 223 R C 1.387 177.393 176.300 -0.490 0.000 1.102 223 R CA 1.432 57.377 56.100 -0.257 0.000 1.040 223 R CB -0.516 29.661 30.300 -0.205 0.000 0.844 223 R HN 0.124 nan 8.270 nan 0.000 0.478 224 A N -0.226 122.354 122.820 -0.400 0.000 2.141 224 A HA 0.101 4.423 4.320 0.003 0.000 0.196 224 A C 1.733 179.142 177.584 -0.292 0.000 1.502 224 A CA 0.210 51.958 52.037 -0.482 0.000 1.075 224 A CB 0.233 19.041 19.000 -0.319 0.000 1.217 224 A HN 0.381 nan 8.150 nan 0.000 0.477 225 T N 1.281 115.697 114.554 -0.230 0.000 2.915 225 T HA -0.125 4.227 4.350 0.003 0.000 0.269 225 T C 1.778 176.414 174.700 -0.108 0.000 1.071 225 T CA 1.567 63.562 62.100 -0.175 0.000 1.132 225 T CB -0.807 67.992 68.868 -0.116 0.000 0.878 225 T HN 0.595 nan 8.240 nan 0.000 0.479 226 I N -1.112 119.395 120.570 -0.106 0.000 2.179 226 I HA -0.144 4.027 4.170 0.003 0.000 0.242 226 I C 2.303 178.446 176.117 0.043 0.000 1.088 226 I CA 1.302 62.575 61.300 -0.045 0.000 1.357 226 I CB -1.263 36.697 38.000 -0.067 0.000 1.051 226 I HN -0.052 nan 8.210 nan 0.000 0.409 227 Y N 2.443 122.685 120.300 -0.097 0.000 2.096 227 Y HA -0.306 4.246 4.550 0.003 0.000 0.276 227 Y C 2.863 178.709 175.900 -0.091 0.000 1.209 227 Y CA 2.171 60.214 58.100 -0.095 0.000 1.137 227 Y CB -0.927 37.454 38.460 -0.131 0.000 0.956 227 Y HN 0.446 nan 8.280 nan 0.000 0.506 228 R N -0.388 120.138 120.500 0.042 0.000 2.276 228 R HA -0.028 4.314 4.340 0.003 0.000 0.203 228 R C 1.773 178.079 176.300 0.010 0.000 1.017 228 R CA 0.407 56.503 56.100 -0.006 0.000 1.010 228 R CB -0.039 30.227 30.300 -0.057 0.000 0.900 228 R HN 0.064 nan 8.270 nan 0.000 0.469 229 R N 1.993 122.503 120.500 0.017 0.000 2.060 229 R HA -0.000 4.341 4.340 0.003 0.000 0.225 229 R C 2.267 178.580 176.300 0.022 0.000 1.155 229 R CA 1.959 58.069 56.100 0.016 0.000 0.930 229 R CB -0.800 29.507 30.300 0.013 0.000 0.829 229 R HN 0.471 nan 8.270 nan 0.000 0.433 230 M N -0.524 119.095 119.600 0.031 0.000 2.494 230 M HA 0.263 4.745 4.480 0.003 0.000 0.232 230 M C 0.410 176.721 176.300 0.018 0.000 1.137 230 M CA 0.872 56.188 55.300 0.027 0.000 1.012 230 M CB 0.266 32.886 32.600 0.032 0.000 1.567 230 M HN -0.087 nan 8.290 nan 0.000 0.486 231 N N 1.821 120.528 118.700 0.011 0.000 2.454 231 N HA 0.006 4.748 4.740 0.003 0.000 0.177 231 N C -0.215 175.296 175.510 0.002 0.000 1.049 231 N CA 0.276 53.318 53.050 -0.013 0.000 0.887 231 N CB 0.150 38.603 38.487 -0.057 0.000 1.095 231 N HN 0.515 nan 8.380 nan 0.000 0.446 232 N N 0.785 119.492 118.700 0.011 0.000 2.667 232 N HA -0.180 4.562 4.740 0.003 0.000 0.263 232 N C -1.234 174.291 175.510 0.025 0.000 1.038 232 N CA 0.176 53.238 53.050 0.019 0.000 0.749 232 N CB -0.902 37.597 38.487 0.019 0.000 0.892 232 N HN 0.263 nan 8.380 nan 0.000 0.546 233 I N 1.758 122.348 120.570 0.033 0.000 2.557 233 I HA 0.118 4.289 4.170 0.003 0.000 0.277 233 I C 0.755 176.915 176.117 0.072 0.000 1.106 233 I CA -0.623 60.707 61.300 0.051 0.000 1.180 233 I CB 0.453 38.488 38.000 0.058 0.000 1.392 233 I HN 0.292 nan 8.210 nan 0.000 0.506 234 T N 0.890 115.481 114.554 0.062 0.000 2.913 234 T HA 0.503 4.855 4.350 0.003 0.000 0.297 234 T C 0.836 175.587 174.700 0.085 0.000 1.029 234 T CA 0.115 62.258 62.100 0.072 0.000 1.104 234 T CB 1.569 70.469 68.868 0.052 0.000 0.964 234 T HN 0.887 nan 8.240 nan 0.000 0.532 235 G N 1.846 110.710 108.800 0.107 0.000 2.531 235 G HA2 -0.139 3.823 3.960 0.003 0.000 0.283 235 G HA3 -0.139 3.823 3.960 0.003 0.000 0.283 235 G C 0.107 175.074 174.900 0.112 0.000 1.068 235 G CA 0.098 45.258 45.100 0.100 0.000 1.273 235 G HN 0.810 nan 8.290 nan 0.000 0.532 236 L N -0.595 120.729 121.223 0.168 0.000 2.577 236 L HA 0.343 4.684 4.340 0.003 0.000 0.225 236 L C 1.942 178.839 176.870 0.046 0.000 1.053 236 L CA 0.748 55.684 54.840 0.160 0.000 0.866 236 L CB 0.060 42.328 42.059 0.349 0.000 1.132 236 L HN 0.549 nan 8.230 nan 0.000 0.486 237 L N -1.983 119.258 121.223 0.031 0.000 3.220 237 L HA -0.157 4.185 4.340 0.003 0.000 0.396 237 L C 0.480 177.161 176.870 -0.316 0.000 3.462 237 L CA 1.519 56.302 54.840 -0.094 0.000 2.140 237 L CB -1.712 40.277 42.059 -0.116 0.000 2.800 237 L HN 0.371 nan 8.230 nan 0.000 0.848 238 G N -2.388 106.002 108.800 -0.682 0.000 2.441 238 G HA2 0.468 4.430 3.960 0.003 0.000 0.225 238 G HA3 0.468 4.430 3.960 0.003 0.000 0.225 238 G C -1.224 172.905 174.900 -1.284 0.000 1.200 238 G CA 0.527 44.664 45.100 -1.605 0.000 0.947 238 G HN 0.399 nan 8.290 nan 0.000 0.484 239 T N -0.304 113.768 114.554 -0.803 0.000 2.876 239 T HA 0.716 5.068 4.350 0.003 0.000 0.289 239 T C 0.471 175.172 174.700 0.002 0.000 1.014 239 T CA 0.823 62.787 62.100 -0.227 0.000 0.986 239 T CB 0.962 69.877 68.868 0.079 0.000 1.021 239 T HN 1.566 nan 8.240 nan 0.000 0.458 240 A N 2.888 125.739 122.820 0.051 0.000 2.310 240 A HA 0.675 4.997 4.320 0.003 0.000 0.260 240 A C -0.452 177.232 177.584 0.166 0.000 1.112 240 A CA -0.340 51.774 52.037 0.129 0.000 0.804 240 A CB 0.217 19.262 19.000 0.075 0.000 1.081 240 A HN 0.773 nan 8.150 nan 0.000 0.499 241 V N 1.381 121.387 119.914 0.153 0.000 2.638 241 V HA 0.332 4.454 4.120 0.003 0.000 0.306 241 V C -1.053 175.056 176.094 0.026 0.000 1.052 241 V CA -0.942 61.388 62.300 0.051 0.000 0.885 241 V CB 1.940 33.730 31.823 -0.055 0.000 0.999 241 V HN 0.817 nan 8.190 nan 0.000 0.424 242 N N 3.206 121.890 118.700 -0.027 0.000 2.558 242 N HA 0.469 5.211 4.740 0.003 0.000 0.242 242 N C -0.605 174.809 175.510 -0.160 0.000 0.979 242 N CA -0.172 52.857 53.050 -0.036 0.000 0.931 242 N CB 1.908 40.386 38.487 -0.015 0.000 1.122 242 N HN 0.431 nan 8.380 nan 0.000 0.508 243 V N 1.685 121.349 119.914 -0.418 0.000 2.567 243 V HA 0.478 4.600 4.120 0.003 0.000 0.289 243 V C 0.230 175.930 176.094 -0.656 0.000 1.049 243 V CA -0.513 61.342 62.300 -0.741 0.000 0.969 243 V CB 1.427 32.372 31.823 -1.463 0.000 0.995 243 V HN 0.572 nan 8.190 nan 0.000 0.471 244 Q N 2.379 121.979 119.800 -0.333 0.000 2.352 244 Q HA 0.647 4.989 4.340 0.003 0.000 0.270 244 Q C -0.914 175.150 176.000 0.106 0.000 1.006 244 Q CA -0.604 55.142 55.803 -0.095 0.000 0.880 244 Q CB 1.980 30.715 28.738 -0.006 0.000 1.392 244 Q HN 0.999 nan 8.270 nan 0.000 0.401 245 A N 4.544 127.354 122.820 -0.017 0.000 2.477 245 A HA 0.424 4.746 4.320 0.003 0.000 0.246 245 A C -0.067 177.347 177.584 -0.284 0.000 1.078 245 A CA -0.005 51.913 52.037 -0.198 0.000 0.770 245 A CB 0.211 19.029 19.000 -0.302 0.000 1.011 245 A HN 0.718 nan 8.150 nan 0.000 0.494 246 M N 2.490 121.907 119.600 -0.304 0.000 2.249 246 M HA 0.438 4.919 4.480 0.003 0.000 0.351 246 M C 0.021 175.974 176.300 -0.579 0.000 1.180 246 M CA -0.189 54.873 55.300 -0.398 0.000 1.127 246 M CB 0.607 33.042 32.600 -0.275 0.000 1.546 246 M HN 0.743 nan 8.290 nan 0.000 0.461 247 V N 0.382 119.825 119.914 -0.784 0.000 3.130 247 V HA 0.828 4.949 4.120 0.003 0.000 0.310 247 V C -1.543 174.040 176.094 -0.852 0.000 1.158 247 V CA -0.935 60.953 62.300 -0.687 0.000 1.029 247 V CB 2.521 34.086 31.823 -0.430 0.000 1.057 247 V HN 0.710 nan 8.190 nan 0.000 0.436 248 F N 0.457 120.430 119.950 0.038 0.000 2.569 248 F HA 0.802 5.331 4.527 0.003 0.000 0.312 248 F C 0.893 176.714 175.800 0.036 0.000 1.109 248 F CA -0.234 57.787 58.000 0.035 0.000 0.919 248 F CB 2.609 41.639 39.000 0.050 0.000 1.211 248 F HN 0.766 nan 8.300 nan 0.000 0.446 249 G N 0.125 109.022 108.800 0.161 0.000 3.393 249 G HA2 0.041 4.003 3.960 0.003 0.000 0.255 249 G HA3 0.041 4.003 3.960 0.003 0.000 0.255 249 G C 0.196 175.125 174.900 0.048 0.000 1.097 249 G CA -0.193 44.968 45.100 0.102 0.000 0.780 249 G HN 0.770 nan 8.290 nan 0.000 0.540 250 N N -0.251 118.458 118.700 0.014 0.000 2.328 250 N HA 0.246 4.988 4.740 0.003 0.000 0.247 250 N C 1.072 176.539 175.510 -0.071 0.000 1.165 250 N CA -0.445 52.553 53.050 -0.087 0.000 0.873 250 N CB 0.359 38.693 38.487 -0.255 0.000 1.125 250 N HN 0.145 nan 8.380 nan 0.000 0.513 251 I N 0.668 121.250 120.570 0.020 0.000 2.277 251 I HA -0.103 4.069 4.170 0.003 0.000 0.243 251 I C 0.372 176.508 176.117 0.032 0.000 1.094 251 I CA 0.878 62.205 61.300 0.046 0.000 1.393 251 I CB -0.016 38.041 38.000 0.094 0.000 1.078 251 I HN 0.446 nan 8.210 nan 0.000 0.417 252 N N -1.943 116.776 118.700 0.032 0.000 3.526 252 N HA 0.076 4.818 4.740 0.003 0.000 0.328 252 N C -0.840 174.685 175.510 0.024 0.000 1.601 252 N CA -0.562 52.503 53.050 0.025 0.000 0.834 252 N CB 0.049 38.555 38.487 0.031 0.000 1.983 252 N HN -0.318 nan 8.380 nan 0.000 0.579 253 D N -1.140 119.273 120.400 0.022 0.000 2.358 253 D HA 0.150 4.792 4.640 0.003 0.000 0.224 253 D C 0.034 176.357 176.300 0.037 0.000 1.123 253 D CA 0.160 54.175 54.000 0.024 0.000 0.833 253 D CB -0.022 40.785 40.800 0.013 0.000 0.946 253 D HN 0.513 nan 8.370 nan 0.000 0.505 254 R N -0.995 119.531 120.500 0.043 0.000 2.748 254 R HA 0.441 4.783 4.340 0.003 0.000 0.395 254 R C -0.318 176.023 176.300 0.068 0.000 1.128 254 R CA -0.427 55.703 56.100 0.050 0.000 1.042 254 R CB 0.183 30.505 30.300 0.037 0.000 1.392 254 R HN -0.237 nan 8.270 nan 0.000 0.582 255 S N 0.321 116.068 115.700 0.078 0.000 2.548 255 S HA 0.883 5.355 4.470 0.003 0.000 0.286 255 S C -1.123 173.541 174.600 0.107 0.000 1.098 255 S CA -0.564 57.694 58.200 0.097 0.000 0.930 255 S CB 2.067 65.322 63.200 0.092 0.000 1.070 255 S HN 0.517 nan 8.310 nan 0.000 0.480 256 A N 1.440 124.336 122.820 0.126 0.000 2.612 256 A HA 0.900 5.222 4.320 0.003 0.000 0.293 256 A C -0.527 177.096 177.584 0.066 0.000 1.075 256 A CA -0.723 51.393 52.037 0.132 0.000 0.680 256 A CB 1.349 20.505 19.000 0.260 0.000 1.279 256 A HN 0.898 nan 8.150 nan 0.000 0.411 257 T N -1.614 112.919 114.554 -0.035 0.000 2.901 257 T HA 0.939 5.290 4.350 0.003 0.000 0.293 257 T C 0.005 174.442 174.700 -0.438 0.000 1.084 257 T CA -0.058 61.894 62.100 -0.247 0.000 1.008 257 T CB 1.794 70.558 68.868 -0.174 0.000 1.170 257 T HN 2.373 nan 8.240 nan 0.000 0.509 258 G N -0.403 107.832 108.800 -0.943 0.000 2.550 258 G HA2 0.598 4.560 3.960 0.003 0.000 0.293 258 G HA3 0.598 4.560 3.960 0.003 0.000 0.293 258 G C -1.987 172.443 174.900 -0.784 0.000 1.402 258 G CA -0.577 43.996 45.100 -0.878 0.000 0.784 258 G HN 1.157 nan 8.290 nan 0.000 0.482 259 V N -0.440 119.273 119.914 -0.336 0.000 2.777 259 V HA 0.868 4.990 4.120 0.003 0.000 0.306 259 V C 0.001 175.926 176.094 -0.283 0.000 1.112 259 V CA -0.139 62.022 62.300 -0.232 0.000 0.917 259 V CB 1.165 32.859 31.823 -0.215 0.000 1.018 259 V HN 1.865 nan 8.190 nan 0.000 0.426 260 A N 3.604 126.206 122.820 -0.363 0.000 2.587 260 A HA 0.985 5.307 4.320 0.003 0.000 0.293 260 A C -1.811 175.520 177.584 -0.421 0.000 1.087 260 A CA -0.458 51.328 52.037 -0.417 0.000 0.692 260 A CB 1.709 20.600 19.000 -0.181 0.000 1.291 260 A HN 0.655 nan 8.150 nan 0.000 0.407 261 F N 1.140 121.292 119.950 0.337 0.000 2.499 261 F HA 0.356 4.885 4.527 0.003 0.000 0.333 261 F C 1.550 177.611 175.800 0.435 0.000 1.138 261 F CA -0.167 58.023 58.000 0.318 0.000 0.945 261 F CB 2.089 41.226 39.000 0.228 0.000 1.181 261 F HN 0.638 nan 8.300 nan 0.000 0.435 262 S N 2.202 118.161 115.700 0.431 0.000 2.462 262 S HA -0.024 4.448 4.470 0.003 0.000 0.243 262 S C 0.628 175.397 174.600 0.282 0.000 1.003 262 S CA 0.802 59.140 58.200 0.231 0.000 0.970 262 S CB -0.164 63.069 63.200 0.055 0.000 0.762 262 S HN 0.706 nan 8.310 nan 0.000 0.510 263 R N -0.173 120.537 120.500 0.350 0.000 2.663 263 R HA 0.388 4.730 4.340 0.003 0.000 0.267 263 R C -1.252 175.154 176.300 0.177 0.000 1.038 263 R CA -0.329 55.955 56.100 0.306 0.000 0.886 263 R CB 1.555 31.956 30.300 0.169 0.000 1.249 263 R HN 0.131 nan 8.270 nan 0.000 0.463 264 S N 2.631 118.304 115.700 -0.044 0.000 2.509 264 S HA 0.094 4.565 4.470 0.003 0.000 0.287 264 S C -1.383 173.027 174.600 -0.317 0.000 1.248 264 S CA -1.072 56.800 58.200 -0.546 0.000 1.089 264 S CB 0.536 63.130 63.200 -1.011 0.000 0.900 264 S HN 0.383 nan 8.310 nan 0.000 0.496 265 P HA 0.030 nan 4.420 nan 0.000 0.239 265 P C 0.531 177.686 177.300 -0.241 0.000 1.184 265 P CA 0.496 63.411 63.100 -0.309 0.000 0.760 265 P CB 0.144 31.540 31.700 -0.506 0.000 0.884 266 S N -0.648 114.893 115.700 -0.266 0.000 2.738 266 S HA -0.005 4.467 4.470 0.003 0.000 0.216 266 S C 1.843 176.360 174.600 -0.138 0.000 0.968 266 S CA 1.071 59.158 58.200 -0.188 0.000 0.879 266 S CB -0.948 62.131 63.200 -0.202 0.000 0.837 266 S HN 0.196 nan 8.310 nan 0.000 0.622 267 T N 0.478 114.938 114.554 -0.156 0.000 2.812 267 T HA 0.276 4.628 4.350 0.003 0.000 0.264 267 T C 1.743 176.427 174.700 -0.025 0.000 1.042 267 T CA 1.216 63.273 62.100 -0.072 0.000 1.140 267 T CB -0.737 68.114 68.868 -0.029 0.000 0.870 267 T HN 0.740 nan 8.240 nan 0.000 0.445 268 G N 2.061 110.823 108.800 -0.063 0.000 2.194 268 G HA2 -0.246 3.716 3.960 0.003 0.000 0.236 268 G HA3 -0.246 3.716 3.960 0.003 0.000 0.236 268 G C -0.041 174.895 174.900 0.060 0.000 0.987 268 G CA 0.051 45.150 45.100 -0.002 0.000 0.635 268 G HN 0.837 nan 8.290 nan 0.000 0.520 269 E N 0.394 120.655 120.200 0.103 0.000 2.415 269 E HA 0.311 4.663 4.350 0.003 0.000 0.262 269 E C 0.169 176.948 176.600 0.297 0.000 1.038 269 E CA -0.309 56.226 56.400 0.225 0.000 0.921 269 E CB 0.505 30.422 29.700 0.363 0.000 0.950 269 E HN 0.110 nan 8.360 nan 0.000 0.438 270 N N 2.527 121.318 118.700 0.151 0.000 2.895 270 N HA 0.161 4.903 4.740 0.003 0.000 0.277 270 N C -1.994 173.453 175.510 -0.104 0.000 1.185 270 N CA -0.017 53.061 53.050 0.047 0.000 1.106 270 N CB -0.715 37.732 38.487 -0.068 0.000 1.422 270 N HN 0.416 nan 8.380 nan 0.000 0.521 271 F N 0.525 120.695 119.950 0.366 0.000 2.650 271 F HA 0.399 4.927 4.527 0.003 0.000 0.320 271 F C -0.226 175.776 175.800 0.337 0.000 1.091 271 F CA -1.173 56.966 58.000 0.231 0.000 0.962 271 F CB 1.051 40.047 39.000 -0.007 0.000 1.363 271 F HN -0.013 nan 8.300 nan 0.000 0.482 272 F N 3.448 123.549 119.950 0.253 0.000 2.462 272 F HA 0.365 4.893 4.527 0.003 0.000 0.354 272 F C -0.854 175.016 175.800 0.116 0.000 1.192 272 F CA -1.501 56.615 58.000 0.194 0.000 1.173 272 F CB -0.928 38.145 39.000 0.123 0.000 1.402 272 F HN 0.088 nan 8.300 nan 0.000 0.595 273 F N 2.613 122.837 119.950 0.456 0.000 2.412 273 F HA 0.593 5.122 4.527 0.004 0.000 0.348 273 F C 0.902 176.789 175.800 0.145 0.000 1.102 273 F CA 0.000 58.183 58.000 0.305 0.000 1.196 273 F CB 1.144 40.387 39.000 0.405 0.000 1.144 273 F HN 0.513 nan 8.300 nan 0.000 0.541 274 G N 1.984 110.901 108.800 0.195 0.000 2.550 274 G HA2 0.597 4.559 3.960 0.003 0.000 0.293 274 G HA3 0.597 4.559 3.960 0.003 0.000 0.293 274 G C -1.937 173.017 174.900 0.091 0.000 1.402 274 G CA -0.862 44.252 45.100 0.024 0.000 0.784 274 G HN 0.461 nan 8.290 nan 0.000 0.482 275 E N -0.829 119.418 120.200 0.078 0.000 2.321 275 E HA 0.522 4.874 4.350 0.003 0.000 0.278 275 E C -1.621 175.066 176.600 0.146 0.000 0.902 275 E CA -0.783 55.674 56.400 0.094 0.000 0.758 275 E CB 2.719 32.431 29.700 0.020 0.000 1.213 275 E HN 0.726 nan 8.360 nan 0.000 0.426 276 Y N 0.336 120.596 120.300 -0.066 0.000 2.689 276 Y HA 0.811 5.363 4.550 0.003 0.000 0.333 276 Y C -1.830 174.030 175.900 -0.067 0.000 1.190 276 Y CA -1.239 56.811 58.100 -0.083 0.000 1.063 276 Y CB 1.572 40.040 38.460 0.014 0.000 1.294 276 Y HN 0.383 nan 8.280 nan 0.000 0.466 277 L N 2.504 123.628 121.223 -0.164 0.000 2.493 277 L HA 0.498 4.840 4.340 0.003 0.000 0.265 277 L C -1.147 175.696 176.870 -0.045 0.000 0.954 277 L CA -1.237 53.465 54.840 -0.229 0.000 0.844 277 L CB 2.356 44.330 42.059 -0.142 0.000 1.302 277 L HN 0.602 nan 8.230 nan 0.000 0.405 278 V N 2.656 122.536 119.914 -0.056 0.000 2.775 278 V HA 0.118 4.240 4.120 0.003 0.000 0.299 278 V C 0.829 176.923 176.094 -0.000 0.000 1.062 278 V CA -0.297 62.027 62.300 0.040 0.000 1.063 278 V CB 1.182 33.037 31.823 0.054 0.000 0.994 278 V HN 0.966 nan 8.190 nan 0.000 0.483 279 N N 2.382 121.092 118.700 0.017 0.000 2.652 279 N HA -0.209 4.533 4.740 0.003 0.000 0.281 279 N C -0.614 174.871 175.510 -0.040 0.000 1.084 279 N CA 1.003 54.047 53.050 -0.011 0.000 0.775 279 N CB -0.549 37.928 38.487 -0.016 0.000 0.923 279 N HN 1.162 nan 8.380 nan 0.000 0.558 280 A N 1.641 124.437 122.820 -0.041 0.000 2.547 280 A HA 0.521 4.843 4.320 0.003 0.000 0.297 280 A C -0.702 176.847 177.584 -0.059 0.000 1.056 280 A CA -0.645 51.356 52.037 -0.060 0.000 0.688 280 A CB 1.431 20.396 19.000 -0.060 0.000 1.282 280 A HN 0.367 nan 8.150 nan 0.000 0.400 281 Q N 0.974 120.733 119.800 -0.068 0.000 2.294 281 Q HA 0.503 4.845 4.340 0.003 0.000 0.257 281 Q C 0.624 176.609 176.000 -0.025 0.000 0.955 281 Q CA 0.812 56.595 55.803 -0.034 0.000 0.936 281 Q CB 1.089 29.821 28.738 -0.010 0.000 1.188 281 Q HN 1.120 nan 8.270 nan 0.000 0.420 282 G N 3.157 111.934 108.800 -0.039 0.000 2.321 282 G HA2 0.199 4.161 3.960 0.003 0.000 0.237 282 G HA3 0.199 4.161 3.960 0.003 0.000 0.237 282 G C -0.014 174.877 174.900 -0.015 0.000 1.282 282 G CA 0.564 45.631 45.100 -0.055 0.000 0.886 282 G HN 0.943 nan 8.290 nan 0.000 0.528 283 E N 0.204 120.397 120.200 -0.013 0.000 3.430 283 E HA -0.164 4.188 4.350 0.003 0.000 0.127 283 E C 1.125 177.723 176.600 -0.003 0.000 0.661 283 E CA 0.423 56.828 56.400 0.008 0.000 3.042 283 E CB -1.032 28.686 29.700 0.031 0.000 1.209 283 E HN 0.481 nan 8.360 nan 0.000 0.765 284 D N 0.836 121.228 120.400 -0.015 0.000 2.178 284 D HA -0.053 4.589 4.640 0.003 0.000 0.202 284 D C 1.869 178.145 176.300 -0.039 0.000 0.974 284 D CA 1.458 55.442 54.000 -0.027 0.000 0.841 284 D CB 0.098 40.876 40.800 -0.036 0.000 0.953 284 D HN 0.141 nan 8.370 nan 0.000 0.478 285 V N 0.788 120.673 119.914 -0.048 0.000 2.307 285 V HA -0.190 3.932 4.120 0.003 0.000 0.245 285 V C 2.685 178.761 176.094 -0.029 0.000 1.045 285 V CA 1.023 63.289 62.300 -0.057 0.000 1.024 285 V CB -0.518 31.259 31.823 -0.077 0.000 0.651 285 V HN 0.042 nan 8.190 nan 0.000 0.449 286 V N 0.391 120.298 119.914 -0.011 0.000 2.270 286 V HA -0.226 3.895 4.120 0.003 0.000 0.245 286 V C 2.801 178.902 176.094 0.012 0.000 1.043 286 V CA 1.814 64.123 62.300 0.015 0.000 1.014 286 V CB -1.362 30.478 31.823 0.029 0.000 0.645 286 V HN 0.532 nan 8.190 nan 0.000 0.447 287 A N -0.383 122.438 122.820 0.001 0.000 1.944 287 A HA -0.240 4.082 4.320 0.003 0.000 0.222 287 A C 2.388 179.968 177.584 -0.007 0.000 1.237 287 A CA 3.294 55.328 52.037 -0.005 0.000 0.668 287 A CB -1.177 17.815 19.000 -0.014 0.000 0.830 287 A HN 1.444 nan 8.150 nan 0.000 0.471 288 G N -2.452 106.340 108.800 -0.012 0.000 2.317 288 G HA2 -0.218 3.744 3.960 0.003 0.000 0.227 288 G HA3 -0.218 3.744 3.960 0.003 0.000 0.227 288 G C 0.201 175.090 174.900 -0.017 0.000 1.042 288 G CA 0.143 45.236 45.100 -0.012 0.000 0.623 288 G HN 0.703 nan 8.290 nan 0.000 0.509 289 I N 2.155 122.712 120.570 -0.020 0.000 2.815 289 I HA 0.369 4.541 4.170 0.003 0.000 0.291 289 I C 1.173 177.278 176.117 -0.019 0.000 1.209 289 I CA 1.014 62.303 61.300 -0.019 0.000 1.431 289 I CB 0.515 38.500 38.000 -0.025 0.000 1.351 289 I HN 0.929 nan 8.210 nan 0.000 0.585 290 R N 2.529 123.025 120.500 -0.007 0.000 1.884 290 R HA -0.148 4.194 4.340 0.003 0.000 0.377 290 R C -0.707 175.583 176.300 -0.016 0.000 1.211 290 R CA 0.577 56.678 56.100 0.001 0.000 1.026 290 R CB -2.606 27.687 30.300 -0.012 0.000 3.052 290 R HN 0.657 nan 8.270 nan 0.000 0.489 291 T N 6.650 121.207 114.554 0.006 0.000 2.718 291 T HA 0.059 4.411 4.350 0.003 0.000 0.265 291 T C -1.536 173.078 174.700 -0.143 0.000 1.014 291 T CA 0.292 62.351 62.100 -0.069 0.000 1.172 291 T CB 0.121 68.938 68.868 -0.085 0.000 1.007 291 T HN 0.593 nan 8.240 nan 0.000 0.500 292 P HA 0.168 nan 4.420 nan 0.000 0.271 292 P C -0.530 176.540 177.300 -0.384 0.000 1.216 292 P CA -0.407 62.540 63.100 -0.256 0.000 0.771 292 P CB 0.702 32.288 31.700 -0.190 0.000 0.864 293 Q N 1.441 121.004 119.800 -0.396 0.000 2.235 293 Q HA 0.207 4.549 4.340 0.003 0.000 0.250 293 Q C 0.199 176.133 176.000 -0.110 0.000 0.909 293 Q CA -0.631 54.949 55.803 -0.372 0.000 0.910 293 Q CB 0.867 29.290 28.738 -0.524 0.000 1.223 293 Q HN 0.357 nan 8.270 nan 0.000 0.432 294 Q N 2.127 121.875 119.800 -0.088 0.000 2.364 294 Q HA 0.035 4.377 4.340 0.003 0.000 0.267 294 Q C 1.018 177.147 176.000 0.214 0.000 0.999 294 Q CA 0.277 56.101 55.803 0.036 0.000 0.886 294 Q CB 0.610 29.324 28.738 -0.040 0.000 1.243 294 Q HN 0.802 nan 8.270 nan 0.000 0.415 295 I N -1.024 119.624 120.570 0.131 0.000 2.277 295 I HA -0.025 4.147 4.170 0.003 0.000 0.243 295 I C 0.935 177.114 176.117 0.103 0.000 1.094 295 I CA 0.555 61.887 61.300 0.053 0.000 1.393 295 I CB -0.093 37.831 38.000 -0.127 0.000 1.078 295 I HN 0.401 nan 8.210 nan 0.000 0.417 296 N N 1.083 119.847 118.700 0.107 0.000 2.529 296 N HA -0.076 4.666 4.740 0.003 0.000 0.278 296 N C 0.847 176.362 175.510 0.008 0.000 1.146 296 N CA 0.064 53.152 53.050 0.064 0.000 0.980 296 N CB 0.912 39.478 38.487 0.132 0.000 1.124 296 N HN 0.222 nan 8.380 nan 0.000 0.458 297 H N 3.106 122.065 119.070 -0.185 0.000 2.253 297 H HA -0.091 4.467 4.556 0.003 0.000 0.296 297 H C 1.553 176.838 175.328 -0.072 0.000 1.067 297 H CA 2.476 58.453 56.048 -0.118 0.000 1.245 297 H CB -0.377 29.302 29.762 -0.138 0.000 1.364 297 H HN 0.631 nan 8.280 nan 0.000 0.494 298 S N 0.168 115.806 115.700 -0.104 0.000 2.390 298 S HA -0.208 4.264 4.470 0.003 0.000 0.234 298 S C 2.326 176.828 174.600 -0.164 0.000 1.063 298 S CA 1.618 59.702 58.200 -0.192 0.000 1.108 298 S CB -0.598 62.481 63.200 -0.200 0.000 0.975 298 S HN 0.220 nan 8.310 nan 0.000 0.442 299 L N 1.224 122.350 121.223 -0.162 0.000 2.083 299 L HA -0.020 4.322 4.340 0.003 0.000 0.209 299 L C 2.613 179.495 176.870 0.020 0.000 1.083 299 L CA 1.449 56.203 54.840 -0.144 0.000 0.752 299 L CB -1.270 40.655 42.059 -0.224 0.000 0.899 299 L HN 0.275 nan 8.230 nan 0.000 0.433 300 S N -0.972 114.764 115.700 0.061 0.000 2.348 300 S HA -0.156 4.316 4.470 0.003 0.000 0.221 300 S C 1.968 176.705 174.600 0.229 0.000 1.033 300 S CA 0.982 59.275 58.200 0.154 0.000 1.010 300 S CB -0.241 63.059 63.200 0.166 0.000 0.891 300 S HN 0.235 nan 8.310 nan 0.000 0.442 301 L N 2.126 123.413 121.223 0.107 0.000 2.137 301 L HA -0.158 4.184 4.340 0.003 0.000 0.213 301 L C 2.439 179.346 176.870 0.062 0.000 1.085 301 L CA 2.197 57.068 54.840 0.051 0.000 0.760 301 L CB -0.963 41.038 42.059 -0.096 0.000 0.893 301 L HN 0.537 nan 8.230 nan 0.000 0.434 302 R N -1.528 119.007 120.500 0.060 0.000 2.189 302 R HA -0.106 4.236 4.340 0.003 0.000 0.203 302 R C 2.246 178.603 176.300 0.095 0.000 1.012 302 R CA 0.519 56.640 56.100 0.035 0.000 1.015 302 R CB -1.033 29.255 30.300 -0.020 0.000 0.938 302 R HN 0.502 nan 8.270 nan 0.000 0.472 303 W N 2.137 123.441 121.300 0.006 0.000 2.363 303 W HA -0.014 4.648 4.660 0.003 0.000 0.296 303 W C 1.395 177.978 176.519 0.107 0.000 1.212 303 W CA 1.596 58.981 57.345 0.066 0.000 1.260 303 W CB -0.479 29.032 29.460 0.085 0.000 1.131 303 W HN 0.197 nan 8.180 nan 0.000 0.530 304 A N 1.430 124.273 122.820 0.038 0.000 1.872 304 A HA -0.202 4.120 4.320 0.003 0.000 0.214 304 A C 2.177 179.682 177.584 -0.131 0.000 1.187 304 A CA 1.923 53.900 52.037 -0.100 0.000 0.614 304 A CB -1.016 18.107 19.000 0.205 0.000 0.826 304 A HN 0.343 nan 8.150 nan 0.000 0.442 305 K N -0.318 120.043 120.400 -0.064 0.000 2.442 305 K HA 0.018 4.340 4.320 0.003 0.000 0.198 305 K C 0.967 177.476 176.600 -0.151 0.000 1.044 305 K CA 0.958 57.197 56.287 -0.081 0.000 0.948 305 K CB -0.186 32.284 32.500 -0.049 0.000 0.762 305 K HN 0.379 nan 8.250 nan 0.000 0.472 306 A N 0.656 123.325 122.820 -0.252 0.000 2.637 306 A HA 0.220 4.541 4.320 0.003 0.000 0.293 306 A C -0.676 176.436 177.584 -0.786 0.000 1.216 306 A CA -0.598 51.202 52.037 -0.395 0.000 0.956 306 A CB 0.026 18.821 19.000 -0.341 0.000 1.174 306 A HN 0.236 nan 8.150 nan 0.000 0.525 307 H N -2.876 115.960 119.070 -0.390 0.000 3.038 307 H HA 0.345 4.903 4.556 0.003 0.000 0.289 307 H C 1.079 176.252 175.328 -0.258 0.000 1.510 307 H CA -0.202 55.606 56.048 -0.401 0.000 1.227 307 H CB 0.978 30.321 29.762 -0.698 0.000 1.880 307 H HN 0.087 nan 8.280 nan 0.000 0.594 308 G N 0.572 109.344 108.800 -0.047 0.000 2.990 308 G HA2 0.149 4.111 3.960 0.003 0.000 0.206 308 G HA3 0.149 4.111 3.960 0.003 0.000 0.206 308 G C 0.172 175.062 174.900 -0.017 0.000 1.169 308 G CA 0.118 45.197 45.100 -0.035 0.000 0.819 308 G HN 0.156 nan 8.290 nan 0.000 0.517 309 V N 0.343 120.242 119.914 -0.025 0.000 2.607 309 V HA 0.653 4.775 4.120 0.003 0.000 0.289 309 V C 0.980 177.102 176.094 0.047 0.000 1.053 309 V CA -0.471 61.853 62.300 0.040 0.000 0.996 309 V CB 1.179 33.058 31.823 0.092 0.000 0.995 309 V HN 0.177 nan 8.190 nan 0.000 0.476 310 G N 1.610 110.451 108.800 0.068 0.000 2.491 310 G HA2 0.461 4.423 3.960 0.003 0.000 0.327 310 G HA3 0.461 4.423 3.960 0.003 0.000 0.327 310 G C 0.459 175.410 174.900 0.084 0.000 1.189 310 G CA -0.210 44.925 45.100 0.058 0.000 0.956 310 G HN 0.756 nan 8.290 nan 0.000 0.491 311 E N 0.037 120.279 120.200 0.070 0.000 2.058 311 E HA -0.154 4.198 4.350 0.003 0.000 0.194 311 E C 1.991 178.642 176.600 0.084 0.000 0.997 311 E CA 1.808 58.258 56.400 0.085 0.000 0.801 311 E CB -0.045 29.695 29.700 0.066 0.000 0.746 311 E HN 0.534 nan 8.360 nan 0.000 0.450 312 E N -0.012 120.225 120.200 0.061 0.000 2.409 312 E HA -0.121 4.230 4.350 0.003 0.000 0.198 312 E C 1.627 178.256 176.600 0.048 0.000 1.024 312 E CA 1.020 57.449 56.400 0.047 0.000 0.861 312 E CB -0.023 29.696 29.700 0.032 0.000 0.788 312 E HN 0.496 nan 8.360 nan 0.000 0.521 313 E N 0.808 121.052 120.200 0.073 0.000 2.024 313 E HA -0.158 4.194 4.350 0.003 0.000 0.190 313 E C 2.020 178.681 176.600 0.101 0.000 0.974 313 E CA 0.875 57.323 56.400 0.080 0.000 0.810 313 E CB -0.013 29.761 29.700 0.124 0.000 0.775 313 E HN 0.206 nan 8.360 nan 0.000 0.453 314 R N 0.442 121.066 120.500 0.206 0.000 2.117 314 R HA -0.196 4.146 4.340 0.003 0.000 0.243 314 R C 2.370 178.754 176.300 0.140 0.000 1.143 314 R CA 1.671 57.938 56.100 0.279 0.000 0.968 314 R CB -0.604 29.892 30.300 0.327 0.000 0.863 314 R HN 0.019 nan 8.270 nan 0.000 0.444 315 R N 1.624 122.185 120.500 0.101 0.000 2.119 315 R HA -0.160 4.182 4.340 0.003 0.000 0.246 315 R C 1.206 177.513 176.300 0.012 0.000 1.146 315 R CA 2.375 58.509 56.100 0.056 0.000 0.962 315 R CB -0.070 30.259 30.300 0.048 0.000 0.863 315 R HN 0.565 nan 8.270 nan 0.000 0.442 316 K N -1.766 118.625 120.400 -0.015 0.000 2.367 316 K HA 0.246 4.568 4.320 0.003 0.000 0.195 316 K C 2.052 178.579 176.600 -0.121 0.000 1.060 316 K CA 0.141 56.396 56.287 -0.052 0.000 1.022 316 K CB 0.424 32.897 32.500 -0.046 0.000 0.894 316 K HN -0.011 nan 8.250 nan 0.000 0.540 317 R N -0.020 120.356 120.500 -0.207 0.000 2.102 317 R HA 0.156 4.498 4.340 0.003 0.000 0.208 317 R C -0.007 175.946 176.300 -0.578 0.000 1.131 317 R CA 0.703 56.505 56.100 -0.497 0.000 1.054 317 R CB 0.488 30.299 30.300 -0.815 0.000 0.954 317 R HN 0.119 nan 8.270 nan 0.000 0.465 318 Y N 0.273 120.581 120.300 0.013 0.000 2.658 318 Y HA 0.344 4.896 4.550 0.003 0.000 0.362 318 Y C -2.261 173.633 175.900 -0.009 0.000 1.017 318 Y CA -2.597 55.486 58.100 -0.029 0.000 1.134 318 Y CB 0.783 39.242 38.460 -0.002 0.000 1.144 318 Y HN 0.072 nan 8.280 nan 0.000 0.655 319 P HA 0.013 nan 4.420 nan 0.000 0.239 319 P C -0.081 177.302 177.300 0.138 0.000 1.302 319 P CA 0.326 63.483 63.100 0.095 0.000 0.676 319 P CB 0.451 32.195 31.700 0.075 0.000 1.093 320 S N -2.972 112.845 115.700 0.195 0.000 2.658 320 S HA 0.153 4.625 4.470 0.003 0.000 0.312 320 S C 0.476 175.106 174.600 0.050 0.000 1.006 320 S CA -0.605 57.700 58.200 0.174 0.000 0.855 320 S CB -0.489 62.724 63.200 0.023 0.000 1.053 320 S HN 0.165 nan 8.310 nan 0.000 0.455 321 M N 2.719 122.209 119.600 -0.183 0.000 2.144 321 M HA -0.141 4.340 4.480 0.003 0.000 0.260 321 M C 1.906 178.088 176.300 -0.197 0.000 1.067 321 M CA 2.247 57.297 55.300 -0.417 0.000 1.095 321 M CB -0.465 31.810 32.600 -0.541 0.000 1.365 321 M HN 0.977 nan 8.290 nan 0.000 0.406 322 E N 0.052 120.035 120.200 -0.362 0.000 2.219 322 E HA -0.252 4.100 4.350 0.003 0.000 0.198 322 E C 1.528 177.911 176.600 -0.362 0.000 0.998 322 E CA 1.792 57.786 56.400 -0.677 0.000 0.818 322 E CB 0.150 29.296 29.700 -0.922 0.000 0.741 322 E HN 0.713 nan 8.360 nan 0.000 0.477 323 E N -1.728 118.304 120.200 -0.280 0.000 2.441 323 E HA 0.139 4.490 4.350 0.003 0.000 0.212 323 E C 1.898 178.429 176.600 -0.115 0.000 0.840 323 E CA 0.489 56.752 56.400 -0.227 0.000 1.143 323 E CB -0.047 29.448 29.700 -0.342 0.000 1.153 323 E HN 0.157 nan 8.360 nan 0.000 0.539 324 A N 2.171 124.954 122.820 -0.062 0.000 1.858 324 A HA 0.027 4.348 4.320 0.003 0.000 0.216 324 A C 1.992 179.571 177.584 -0.009 0.000 1.190 324 A CA 1.344 53.383 52.037 0.004 0.000 0.617 324 A CB -0.333 18.732 19.000 0.110 0.000 0.827 324 A HN 0.224 nan 8.150 nan 0.000 0.443 325 M N 0.019 119.599 119.600 -0.032 0.000 2.869 325 M HA 0.149 4.631 4.480 0.003 0.000 0.353 325 M C -1.801 174.486 176.300 -0.021 0.000 1.224 325 M CA -1.250 54.037 55.300 -0.022 0.000 0.917 325 M CB 0.874 33.461 32.600 -0.022 0.000 1.322 325 M HN 0.221 nan 8.290 nan 0.000 0.516 326 P HA -0.259 nan 4.420 nan 0.000 0.218 326 P C 1.115 178.426 177.300 0.018 0.000 1.154 326 P CA 1.761 64.846 63.100 -0.026 0.000 0.872 326 P CB 0.199 31.868 31.700 -0.051 0.000 0.790 327 E N 0.318 120.517 120.200 -0.002 0.000 2.086 327 E HA -0.227 4.125 4.350 0.003 0.000 0.205 327 E C 1.968 178.564 176.600 -0.007 0.000 1.027 327 E CA 1.934 58.330 56.400 -0.006 0.000 0.830 327 E CB -0.908 28.782 29.700 -0.017 0.000 0.751 327 E HN 0.163 nan 8.360 nan 0.000 0.456 328 N N -1.101 117.589 118.700 -0.017 0.000 2.207 328 N HA -0.125 4.616 4.740 0.003 0.000 0.182 328 N C 1.724 177.199 175.510 -0.058 0.000 1.020 328 N CA 1.150 54.167 53.050 -0.054 0.000 0.858 328 N CB -0.574 37.873 38.487 -0.067 0.000 0.991 328 N HN 0.336 nan 8.380 nan 0.000 0.427 329 Y N 2.353 122.566 120.300 -0.144 0.000 2.165 329 Y HA -0.234 4.318 4.550 0.003 0.000 0.286 329 Y C 2.702 178.565 175.900 -0.062 0.000 1.155 329 Y CA 1.749 59.765 58.100 -0.140 0.000 1.164 329 Y CB -0.035 38.340 38.460 -0.142 0.000 0.978 329 Y HN -0.037 nan 8.280 nan 0.000 0.513 330 R N 0.185 120.824 120.500 0.232 0.000 2.096 330 R HA -0.238 4.104 4.340 0.003 0.000 0.240 330 R C 2.154 178.451 176.300 -0.005 0.000 1.139 330 R CA 2.089 58.273 56.100 0.140 0.000 0.952 330 R CB -0.638 29.711 30.300 0.081 0.000 0.854 330 R HN 0.516 nan 8.270 nan 0.000 0.436 331 L N 0.737 121.929 121.223 -0.052 0.000 2.072 331 L HA -0.041 4.301 4.340 0.003 0.000 0.205 331 L C 2.022 178.805 176.870 -0.145 0.000 1.079 331 L CA 1.469 56.253 54.840 -0.093 0.000 0.752 331 L CB -0.620 41.381 42.059 -0.097 0.000 0.906 331 L HN 0.312 nan 8.230 nan 0.000 0.436 332 L N -1.066 120.031 121.223 -0.210 0.000 2.191 332 L HA -0.256 4.086 4.340 0.003 0.000 0.212 332 L C 2.455 179.209 176.870 -0.194 0.000 1.103 332 L CA 1.719 56.404 54.840 -0.258 0.000 0.769 332 L CB -0.577 41.205 42.059 -0.461 0.000 0.908 332 L HN 0.499 nan 8.230 nan 0.000 0.438 333 C N 0.237 119.385 119.300 -0.253 0.000 2.446 333 C HA -0.159 4.303 4.460 0.003 0.000 0.277 333 C C 2.536 177.392 174.990 -0.223 0.000 1.275 333 C CA 1.169 60.022 59.018 -0.275 0.000 1.727 333 C CB -0.636 27.000 27.740 -0.174 0.000 2.010 333 C HN 0.654 nan 8.230 nan 0.000 0.486 334 D N 0.311 120.626 120.400 -0.141 0.000 2.103 334 D HA -0.138 4.504 4.640 0.003 0.000 0.190 334 D C 2.118 178.348 176.300 -0.117 0.000 0.997 334 D CA 1.905 55.840 54.000 -0.107 0.000 0.833 334 D CB -0.551 40.203 40.800 -0.076 0.000 0.961 334 D HN 0.282 nan 8.370 nan 0.000 0.447 335 V N 1.655 121.500 119.914 -0.115 0.000 2.282 335 V HA -0.266 3.856 4.120 0.003 0.000 0.249 335 V C 2.843 178.878 176.094 -0.098 0.000 1.057 335 V CA 2.117 64.365 62.300 -0.086 0.000 1.032 335 V CB -0.694 31.084 31.823 -0.074 0.000 0.645 335 V HN 0.314 nan 8.190 nan 0.000 0.447 336 R N 0.425 120.811 120.500 -0.191 0.000 2.112 336 R HA -0.264 4.077 4.340 0.003 0.000 0.242 336 R C 2.410 178.595 176.300 -0.192 0.000 1.137 336 R CA 2.560 58.490 56.100 -0.283 0.000 0.944 336 R CB -0.545 29.288 30.300 -0.778 0.000 0.857 336 R HN 0.503 nan 8.270 nan 0.000 0.435 337 K N 0.326 120.613 120.400 -0.189 0.000 2.026 337 K HA -0.197 4.124 4.320 0.003 0.000 0.208 337 K C 2.396 178.969 176.600 -0.045 0.000 1.048 337 K CA 1.598 57.819 56.287 -0.110 0.000 0.929 337 K CB -0.183 32.258 32.500 -0.099 0.000 0.713 337 K HN 0.134 nan 8.250 nan 0.000 0.439 338 R N 0.474 120.950 120.500 -0.040 0.000 2.112 338 R HA -0.157 4.185 4.340 0.003 0.000 0.242 338 R C 2.385 178.720 176.300 0.057 0.000 1.137 338 R CA 2.004 58.102 56.100 -0.003 0.000 0.944 338 R CB -0.315 29.975 30.300 -0.017 0.000 0.857 338 R HN 0.190 nan 8.270 nan 0.000 0.435 339 L N -0.104 121.171 121.223 0.087 0.000 2.156 339 L HA -0.079 4.263 4.340 0.003 0.000 0.208 339 L C 2.399 179.427 176.870 0.264 0.000 1.095 339 L CA 1.167 56.148 54.840 0.234 0.000 0.770 339 L CB -0.364 41.823 42.059 0.214 0.000 0.914 339 L HN 0.262 nan 8.230 nan 0.000 0.439 340 E N 0.349 120.623 120.200 0.124 0.000 2.051 340 E HA -0.215 4.137 4.350 0.003 0.000 0.192 340 E C 1.851 178.509 176.600 0.096 0.000 0.991 340 E CA 1.266 57.728 56.400 0.103 0.000 0.799 340 E CB -0.035 29.685 29.700 0.032 0.000 0.748 340 E HN 0.435 nan 8.360 nan 0.000 0.449 341 N N -0.384 118.356 118.700 0.066 0.000 2.272 341 N HA -0.180 4.561 4.740 0.003 0.000 0.185 341 N C 1.550 177.092 175.510 0.052 0.000 1.014 341 N CA 1.238 54.315 53.050 0.045 0.000 0.870 341 N CB -0.153 38.352 38.487 0.030 0.000 0.975 341 N HN 0.230 nan 8.380 nan 0.000 0.433 342 H N -1.288 117.767 119.070 -0.025 0.000 2.320 342 H HA 0.086 4.644 4.556 0.003 0.000 0.309 342 H C 0.974 176.182 175.328 -0.200 0.000 1.057 342 H CA 1.434 57.393 56.048 -0.148 0.000 1.374 342 H CB -0.204 29.408 29.762 -0.250 0.000 1.421 342 H HN 0.229 nan 8.280 nan 0.000 0.532 343 Y N 0.625 120.925 120.300 0.001 0.000 2.583 343 Y HA 0.127 4.679 4.550 0.003 0.000 0.293 343 Y C 0.599 176.472 175.900 -0.045 0.000 1.157 343 Y CA 0.595 58.667 58.100 -0.047 0.000 1.315 343 Y CB 0.170 38.653 38.460 0.038 0.000 1.021 343 Y HN 0.130 nan 8.280 nan 0.000 0.536 344 R N 0.514 121.062 120.500 0.080 0.000 3.651 344 R HA -0.203 4.139 4.340 0.003 0.000 0.292 344 R C -1.244 175.095 176.300 0.066 0.000 1.161 344 R CA 1.000 57.123 56.100 0.039 0.000 0.787 344 R CB -2.018 28.278 30.300 -0.007 0.000 1.249 344 R HN 0.256 nan 8.270 nan 0.000 0.476 345 D N -0.495 119.964 120.400 0.099 0.000 2.706 345 D HA 0.108 4.750 4.640 0.003 0.000 0.225 345 D C -0.253 176.099 176.300 0.085 0.000 1.241 345 D CA -0.656 53.395 54.000 0.085 0.000 0.784 345 D CB 1.090 41.942 40.800 0.086 0.000 1.521 345 D HN -0.016 nan 8.370 nan 0.000 0.461 346 M N 2.685 122.332 119.600 0.078 0.000 2.301 346 M HA -0.130 4.352 4.480 0.003 0.000 0.404 346 M C -0.742 175.612 176.300 0.090 0.000 1.497 346 M CA 0.951 56.306 55.300 0.092 0.000 0.867 346 M CB 0.027 32.683 32.600 0.093 0.000 2.037 346 M HN 0.270 nan 8.290 nan 0.000 0.496 347 Q N 3.724 123.584 119.800 0.099 0.000 2.248 347 Q HA 0.484 4.826 4.340 0.003 0.000 0.263 347 Q C -0.850 175.247 176.000 0.161 0.000 1.007 347 Q CA -0.542 55.307 55.803 0.075 0.000 0.877 347 Q CB 1.971 30.726 28.738 0.027 0.000 1.315 347 Q HN 0.656 nan 8.270 nan 0.000 0.454 348 D N -0.030 120.459 120.400 0.149 0.000 2.433 348 D HA 0.646 5.288 4.640 0.003 0.000 0.236 348 D C -0.764 175.581 176.300 0.075 0.000 1.026 348 D CA -0.631 53.475 54.000 0.176 0.000 0.884 348 D CB 1.266 42.268 40.800 0.338 0.000 1.384 348 D HN 0.258 nan 8.370 nan 0.000 0.477 349 L N 0.286 121.532 121.223 0.039 0.000 2.409 349 L HA 0.427 4.769 4.340 0.003 0.000 0.272 349 L C -0.241 176.690 176.870 0.101 0.000 0.980 349 L CA -0.828 54.068 54.840 0.093 0.000 0.826 349 L CB 2.095 44.251 42.059 0.162 0.000 1.268 349 L HN 0.299 nan 8.230 nan 0.000 0.407 350 E N 3.599 123.857 120.200 0.097 0.000 2.151 350 E HA 0.579 4.931 4.350 0.003 0.000 0.275 350 E C -1.311 175.385 176.600 0.161 0.000 0.936 350 E CA -0.475 55.956 56.400 0.052 0.000 0.777 350 E CB 2.039 31.736 29.700 -0.005 0.000 1.108 350 E HN 0.389 nan 8.360 nan 0.000 0.401 351 F N -1.009 118.941 119.950 -0.001 0.000 2.675 351 F HA 0.766 5.295 4.527 0.003 0.000 0.324 351 F C -0.743 175.085 175.800 0.046 0.000 1.106 351 F CA -0.844 57.174 58.000 0.031 0.000 0.970 351 F CB 1.930 40.938 39.000 0.012 0.000 1.385 351 F HN 0.067 nan 8.300 nan 0.000 0.489 352 T N 1.402 116.134 114.554 0.296 0.000 3.483 352 T HA 0.388 4.740 4.350 0.003 0.000 0.329 352 T C -1.597 173.284 174.700 0.303 0.000 1.014 352 T CA -0.556 61.658 62.100 0.191 0.000 1.056 352 T CB 1.531 70.478 68.868 0.133 0.000 1.090 352 T HN 0.617 nan 8.240 nan 0.000 0.460 353 V N 4.341 124.405 119.914 0.251 0.000 2.304 353 V HA 0.327 4.449 4.120 0.003 0.000 0.262 353 V C 0.479 176.686 176.094 0.189 0.000 1.061 353 V CA -0.482 61.934 62.300 0.194 0.000 0.872 353 V CB 0.831 32.742 31.823 0.147 0.000 1.077 353 V HN 0.822 nan 8.190 nan 0.000 0.480 354 Q N 5.077 125.034 119.800 0.261 0.000 2.361 354 Q HA 0.151 4.493 4.340 0.003 0.000 0.250 354 Q C 0.269 176.380 176.000 0.186 0.000 1.023 354 Q CA -0.139 55.814 55.803 0.249 0.000 0.915 354 Q CB 0.226 29.159 28.738 0.325 0.000 1.238 354 Q HN 0.795 nan 8.270 nan 0.000 0.451 355 D N 3.480 123.958 120.400 0.130 0.000 2.760 355 D HA -0.202 4.440 4.640 0.003 0.000 0.244 355 D C 0.617 176.956 176.300 0.064 0.000 1.123 355 D CA 1.263 55.317 54.000 0.090 0.000 0.719 355 D CB -0.946 39.909 40.800 0.092 0.000 1.045 355 D HN 1.115 nan 8.370 nan 0.000 0.426 356 G N 1.231 110.063 108.800 0.052 0.000 2.412 356 G HA2 -0.398 3.563 3.960 0.003 0.000 0.252 356 G HA3 -0.398 3.563 3.960 0.003 0.000 0.252 356 G C 0.467 175.357 174.900 -0.017 0.000 1.038 356 G CA 0.962 46.073 45.100 0.019 0.000 0.628 356 G HN 0.712 nan 8.290 nan 0.000 0.531 357 R N 0.491 120.980 120.500 -0.020 0.000 2.234 357 R HA 0.623 4.965 4.340 0.003 0.000 0.324 357 R C 0.148 176.299 176.300 -0.250 0.000 1.054 357 R CA -0.729 55.280 56.100 -0.151 0.000 0.912 357 R CB 0.445 30.666 30.300 -0.132 0.000 1.030 357 R HN 0.338 nan 8.270 nan 0.000 0.455 358 L N 6.155 127.180 121.223 -0.330 0.000 2.367 358 L HA 0.399 4.741 4.340 0.003 0.000 0.275 358 L C -1.441 175.138 176.870 -0.485 0.000 1.129 358 L CA 0.259 54.941 54.840 -0.263 0.000 0.839 358 L CB 0.255 42.201 42.059 -0.189 0.000 1.133 358 L HN 0.642 nan 8.230 nan 0.000 0.453 359 W N 5.308 126.652 121.300 0.073 0.000 2.844 359 W HA 0.586 5.248 4.660 0.003 0.000 0.340 359 W C -1.172 175.406 176.519 0.098 0.000 1.093 359 W CA -0.717 56.666 57.345 0.062 0.000 1.212 359 W CB 1.646 31.128 29.460 0.038 0.000 1.422 359 W HN 0.341 nan 8.180 nan 0.000 0.515 360 L N 3.360 124.787 121.223 0.341 0.000 2.294 360 L HA 0.375 4.716 4.340 0.003 0.000 0.283 360 L C -0.091 176.892 176.870 0.189 0.000 1.015 360 L CA -0.186 54.795 54.840 0.235 0.000 0.831 360 L CB 0.812 42.965 42.059 0.156 0.000 1.217 360 L HN 0.615 nan 8.230 nan 0.000 0.420 361 L N 3.226 124.536 121.223 0.144 0.000 2.298 361 L HA 0.342 4.684 4.340 0.003 0.000 0.209 361 L C 0.581 177.478 176.870 0.045 0.000 1.084 361 L CA 0.431 55.315 54.840 0.073 0.000 0.816 361 L CB -0.141 41.936 42.059 0.031 0.000 0.967 361 L HN 0.616 nan 8.230 nan 0.000 0.460 362 Q N -0.582 119.249 119.800 0.051 0.000 2.386 362 Q HA 0.445 4.786 4.340 0.003 0.000 0.274 362 Q C -2.081 173.935 176.000 0.026 0.000 1.011 362 Q CA -0.558 55.261 55.803 0.026 0.000 0.867 362 Q CB 2.950 31.697 28.738 0.016 0.000 1.409 362 Q HN 0.129 nan 8.270 nan 0.000 0.395 363 C N 3.767 123.064 119.300 -0.005 0.000 2.716 363 C HA 0.782 5.243 4.460 0.003 0.000 0.366 363 C C -1.744 173.191 174.990 -0.092 0.000 1.073 363 C CA -0.238 58.759 59.018 -0.035 0.000 1.260 363 C CB 0.941 28.657 27.740 -0.040 0.000 1.755 363 C HN 0.960 nan 8.230 nan 0.000 0.475 364 R N 4.036 124.489 120.500 -0.077 0.000 2.740 364 R HA 0.413 4.754 4.340 0.003 0.000 0.273 364 R C -0.891 175.365 176.300 -0.075 0.000 0.998 364 R CA -0.712 55.337 56.100 -0.085 0.000 0.900 364 R CB 1.313 31.603 30.300 -0.016 0.000 1.223 364 R HN 0.783 nan 8.270 nan 0.000 0.466 365 N N 0.057 118.707 118.700 -0.083 0.000 2.411 365 N HA 0.077 4.819 4.740 0.003 0.000 0.261 365 N C -0.003 175.523 175.510 0.027 0.000 1.248 365 N CA 0.609 53.646 53.050 -0.022 0.000 0.885 365 N CB 0.609 39.096 38.487 0.000 0.000 1.062 365 N HN 0.646 nan 8.380 nan 0.000 0.471 366 G N 1.871 110.708 108.800 0.062 0.000 2.372 366 G HA2 0.143 4.105 3.960 0.003 0.000 0.283 366 G HA3 0.143 4.105 3.960 0.003 0.000 0.283 366 G C -0.008 174.931 174.900 0.064 0.000 1.177 366 G CA -0.667 44.492 45.100 0.098 0.000 0.842 366 G HN 0.403 nan 8.290 nan 0.000 0.503 367 K N 0.971 121.405 120.400 0.056 0.000 2.230 367 K HA 0.331 4.652 4.320 0.003 0.000 0.253 367 K C 0.453 177.049 176.600 -0.007 0.000 1.008 367 K CA 0.111 56.415 56.287 0.028 0.000 0.910 367 K CB 0.828 33.344 32.500 0.026 0.000 0.994 367 K HN 0.851 nan 8.250 nan 0.000 0.495 368 R N -1.593 118.899 120.500 -0.013 0.000 2.728 368 R HA 0.232 4.573 4.340 0.003 0.000 0.274 368 R C -0.686 175.603 176.300 -0.019 0.000 1.030 368 R CA -0.844 55.233 56.100 -0.039 0.000 0.876 368 R CB 0.444 30.732 30.300 -0.020 0.000 1.259 368 R HN 0.700 nan 8.270 nan 0.000 0.468 369 T N -1.109 113.431 114.554 -0.022 0.000 2.788 369 T HA 0.170 4.522 4.350 0.003 0.000 0.287 369 T C 1.251 175.974 174.700 0.039 0.000 1.007 369 T CA -0.631 61.483 62.100 0.022 0.000 1.005 369 T CB 0.680 69.593 68.868 0.074 0.000 1.012 369 T HN 0.532 nan 8.240 nan 0.000 0.530 370 I N 1.144 121.722 120.570 0.014 0.000 2.179 370 I HA -0.073 4.098 4.170 0.003 0.000 0.242 370 I C 2.213 178.263 176.117 -0.113 0.000 1.088 370 I CA 1.580 62.830 61.300 -0.083 0.000 1.357 370 I CB -1.020 36.868 38.000 -0.187 0.000 1.051 370 I HN 0.830 nan 8.210 nan 0.000 0.409 371 H N 0.769 119.812 119.070 -0.044 0.000 2.289 371 H HA -0.143 4.415 4.556 0.003 0.000 0.294 371 H C 2.237 177.557 175.328 -0.013 0.000 1.095 371 H CA 2.080 58.108 56.048 -0.033 0.000 1.256 371 H CB -1.082 28.653 29.762 -0.045 0.000 1.359 371 H HN 0.431 nan 8.280 nan 0.000 0.487 372 A N 1.114 124.005 122.820 0.118 0.000 1.865 372 A HA -0.187 4.135 4.320 0.003 0.000 0.217 372 A C 2.613 180.228 177.584 0.052 0.000 1.191 372 A CA 2.092 54.160 52.037 0.051 0.000 0.623 372 A CB -1.347 17.652 19.000 -0.003 0.000 0.826 372 A HN 0.513 nan 8.150 nan 0.000 0.444 373 A N -0.766 122.081 122.820 0.046 0.000 1.940 373 A HA -0.023 4.298 4.320 0.003 0.000 0.219 373 A C 2.229 179.858 177.584 0.076 0.000 1.176 373 A CA 1.849 53.920 52.037 0.057 0.000 0.631 373 A CB -0.943 18.088 19.000 0.053 0.000 0.814 373 A HN 0.431 nan 8.150 nan 0.000 0.446 374 V N -0.015 119.943 119.914 0.074 0.000 2.343 374 V HA -0.231 3.891 4.120 0.003 0.000 0.247 374 V C 2.685 178.833 176.094 0.090 0.000 1.051 374 V CA 2.332 64.691 62.300 0.098 0.000 1.036 374 V CB -0.792 31.093 31.823 0.103 0.000 0.654 374 V HN 0.626 nan 8.190 nan 0.000 0.451 375 R N 0.921 121.469 120.500 0.080 0.000 2.078 375 R HA -0.034 4.308 4.340 0.003 0.000 0.224 375 R C 2.099 178.446 176.300 0.078 0.000 1.149 375 R CA 1.898 58.043 56.100 0.074 0.000 0.916 375 R CB -1.132 29.211 30.300 0.070 0.000 0.821 375 R HN 0.449 nan 8.270 nan 0.000 0.434 376 I N 0.959 121.573 120.570 0.073 0.000 2.181 376 I HA -0.361 3.810 4.170 0.003 0.000 0.247 376 I C 2.351 178.518 176.117 0.084 0.000 1.081 376 I CA 1.721 63.064 61.300 0.073 0.000 1.340 376 I CB -0.756 37.284 38.000 0.067 0.000 1.036 376 I HN 0.313 nan 8.210 nan 0.000 0.417 377 A N 1.490 124.369 122.820 0.099 0.000 1.851 377 A HA -0.201 4.120 4.320 0.003 0.000 0.216 377 A C 2.317 179.998 177.584 0.162 0.000 1.195 377 A CA 1.801 53.913 52.037 0.125 0.000 0.622 377 A CB -0.911 18.177 19.000 0.146 0.000 0.831 377 A HN 0.381 nan 8.150 nan 0.000 0.444 378 I N -0.066 120.609 120.570 0.175 0.000 2.118 378 I HA -0.320 3.852 4.170 0.003 0.000 0.241 378 I C 2.121 178.331 176.117 0.155 0.000 1.070 378 I CA 1.830 63.254 61.300 0.206 0.000 1.327 378 I CB -0.713 37.352 38.000 0.108 0.000 1.034 378 I HN 0.290 nan 8.210 nan 0.000 0.405 379 D N 0.792 121.253 120.400 0.102 0.000 2.103 379 D HA -0.219 4.423 4.640 0.003 0.000 0.190 379 D C 2.262 178.600 176.300 0.063 0.000 0.997 379 D CA 1.618 55.661 54.000 0.072 0.000 0.833 379 D CB -0.324 40.508 40.800 0.054 0.000 0.961 379 D HN 0.316 nan 8.370 nan 0.000 0.447 380 M N 0.042 119.679 119.600 0.062 0.000 2.358 380 M HA -0.105 4.377 4.480 0.003 0.000 0.264 380 M C 2.124 178.442 176.300 0.031 0.000 1.064 380 M CA 0.456 55.781 55.300 0.041 0.000 1.093 380 M CB 0.008 32.632 32.600 0.040 0.000 1.401 380 M HN -0.082 nan 8.290 nan 0.000 0.440 381 V N 0.994 120.942 119.914 0.057 0.000 2.244 381 V HA -0.257 3.865 4.120 0.003 0.000 0.244 381 V C 2.028 178.134 176.094 0.020 0.000 1.042 381 V CA 1.871 64.183 62.300 0.021 0.000 1.006 381 V CB -0.668 31.194 31.823 0.066 0.000 0.641 381 V HN 0.453 nan 8.190 nan 0.000 0.446 382 N N 0.435 119.173 118.700 0.062 0.000 2.069 382 N HA -0.192 4.550 4.740 0.003 0.000 0.191 382 N C 1.738 177.260 175.510 0.020 0.000 1.031 382 N CA 1.649 54.727 53.050 0.047 0.000 0.852 382 N CB -0.408 38.116 38.487 0.062 0.000 1.018 382 N HN 0.616 nan 8.380 nan 0.000 0.423 383 E N -0.475 119.736 120.200 0.018 0.000 2.333 383 E HA -0.002 4.350 4.350 0.003 0.000 0.198 383 E C 0.943 177.540 176.600 -0.005 0.000 1.007 383 E CA 0.615 57.018 56.400 0.005 0.000 0.845 383 E CB -0.104 29.599 29.700 0.005 0.000 0.766 383 E HN 0.479 nan 8.360 nan 0.000 0.507 384 G N 0.881 109.675 108.800 -0.010 0.000 2.141 384 G HA2 -0.273 3.689 3.960 0.003 0.000 0.242 384 G HA3 -0.273 3.689 3.960 0.003 0.000 0.242 384 G C 0.692 175.576 174.900 -0.026 0.000 0.982 384 G CA 0.283 45.370 45.100 -0.023 0.000 0.662 384 G HN 0.243 nan 8.290 nan 0.000 0.527 385 L N 0.537 121.750 121.223 -0.017 0.000 2.179 385 L HA 0.512 4.854 4.340 0.003 0.000 0.208 385 L C 1.428 178.282 176.870 -0.027 0.000 1.096 385 L CA 1.994 56.824 54.840 -0.017 0.000 0.779 385 L CB 0.026 42.084 42.059 -0.002 0.000 0.922 385 L HN 0.647 nan 8.230 nan 0.000 0.443 386 I N -5.324 115.226 120.570 -0.032 0.000 3.102 386 I HA 0.473 4.645 4.170 0.003 0.000 0.310 386 I C -0.261 175.808 176.117 -0.080 0.000 1.246 386 I CA -0.869 60.403 61.300 -0.047 0.000 0.979 386 I CB 1.733 39.717 38.000 -0.026 0.000 1.267 386 I HN -0.170 nan 8.210 nan 0.000 0.451 387 S N 2.271 117.909 115.700 -0.104 0.000 2.614 387 S HA 0.440 4.912 4.470 0.003 0.000 0.265 387 S C 0.886 175.346 174.600 -0.234 0.000 1.303 387 S CA -0.808 57.295 58.200 -0.163 0.000 1.000 387 S CB 1.380 64.492 63.200 -0.148 0.000 0.935 387 S HN 0.765 nan 8.310 nan 0.000 0.551 388 R N 0.856 121.116 120.500 -0.400 0.000 2.081 388 R HA -0.128 4.214 4.340 0.003 0.000 0.235 388 R C 2.249 178.355 176.300 -0.323 0.000 1.131 388 R CA 1.538 57.254 56.100 -0.642 0.000 0.960 388 R CB -0.649 28.955 30.300 -1.159 0.000 0.856 388 R HN 0.872 nan 8.270 nan 0.000 0.436 389 E N 1.208 121.258 120.200 -0.249 0.000 2.048 389 E HA -0.290 4.062 4.350 0.003 0.000 0.202 389 E C 1.946 178.475 176.600 -0.118 0.000 1.021 389 E CA 1.877 58.184 56.400 -0.155 0.000 0.825 389 E CB 0.009 29.627 29.700 -0.137 0.000 0.756 389 E HN 0.175 nan 8.360 nan 0.000 0.454 390 E N 0.411 120.546 120.200 -0.109 0.000 2.097 390 E HA -0.215 4.137 4.350 0.003 0.000 0.196 390 E C 1.675 178.252 176.600 -0.037 0.000 1.000 390 E CA 1.590 57.946 56.400 -0.074 0.000 0.804 390 E CB -0.425 29.237 29.700 -0.063 0.000 0.740 390 E HN 0.374 nan 8.360 nan 0.000 0.454 391 A N 0.229 123.036 122.820 -0.021 0.000 1.859 391 A HA -0.254 4.068 4.320 0.003 0.000 0.218 391 A C 2.543 180.186 177.584 0.098 0.000 1.209 391 A CA 2.334 54.413 52.037 0.071 0.000 0.639 391 A CB -1.254 17.837 19.000 0.151 0.000 0.835 391 A HN 0.205 nan 8.150 nan 0.000 0.450 392 V N -0.061 119.911 119.914 0.096 0.000 2.313 392 V HA -0.326 3.796 4.120 0.003 0.000 0.253 392 V C 2.530 178.637 176.094 0.022 0.000 1.070 392 V CA 2.268 64.625 62.300 0.095 0.000 1.057 392 V CB -0.874 30.978 31.823 0.047 0.000 0.653 392 V HN 0.557 nan 8.190 nan 0.000 0.450 393 L N -0.731 120.416 121.223 -0.126 0.000 2.353 393 L HA -0.088 4.254 4.340 0.003 0.000 0.220 393 L C 2.171 179.079 176.870 0.063 0.000 1.133 393 L CA 1.218 55.929 54.840 -0.215 0.000 0.798 393 L CB -0.365 41.577 42.059 -0.195 0.000 0.922 393 L HN 0.245 nan 8.230 nan 0.000 0.445 394 R N -0.312 120.243 120.500 0.092 0.000 2.480 394 R HA 0.298 4.640 4.340 0.003 0.000 0.277 394 R C -0.269 176.111 176.300 0.133 0.000 1.008 394 R CA 0.014 56.177 56.100 0.106 0.000 1.090 394 R CB 0.298 30.645 30.300 0.079 0.000 1.234 394 R HN 0.208 nan 8.270 nan 0.000 0.549 395 I N 0.879 121.569 120.570 0.200 0.000 2.418 395 I HA 0.147 4.319 4.170 0.003 0.000 0.287 395 I C -0.693 175.487 176.117 0.104 0.000 1.008 395 I CA -0.936 60.464 61.300 0.166 0.000 1.104 395 I CB 1.983 40.107 38.000 0.206 0.000 1.264 395 I HN -0.089 nan 8.210 nan 0.000 0.438 396 D N 8.826 129.230 120.400 0.006 0.000 2.249 396 D HA 0.277 4.919 4.640 0.003 0.000 0.246 396 D C -1.906 174.289 176.300 -0.174 0.000 1.114 396 D CA -2.136 51.797 54.000 -0.112 0.000 0.854 396 D CB 2.305 43.085 40.800 -0.034 0.000 1.132 396 D HN 0.167 nan 8.370 nan 0.000 0.461 397 P HA -0.078 nan 4.420 nan 0.000 0.221 397 P C 0.837 178.034 177.300 -0.173 0.000 1.150 397 P CA 0.733 63.659 63.100 -0.291 0.000 0.800 397 P CB 0.106 31.535 31.700 -0.451 0.000 0.787 398 Y N 0.372 120.590 120.300 -0.137 0.000 2.293 398 Y HA -0.094 4.458 4.550 0.003 0.000 0.291 398 Y C 2.235 177.984 175.900 -0.250 0.000 1.137 398 Y CA 0.779 58.791 58.100 -0.146 0.000 1.202 398 Y CB -1.224 37.176 38.460 -0.100 0.000 0.990 398 Y HN 0.143 nan 8.280 nan 0.000 0.537 399 Q N -1.026 118.717 119.800 -0.095 0.000 2.424 399 Q HA -0.006 4.336 4.340 0.003 0.000 0.204 399 Q C 2.109 177.922 176.000 -0.312 0.000 0.933 399 Q CA 0.483 56.115 55.803 -0.284 0.000 0.929 399 Q CB 0.113 28.821 28.738 -0.051 0.000 1.037 399 Q HN 0.301 nan 8.270 nan 0.000 0.511 400 V N 1.812 121.595 119.914 -0.219 0.000 2.720 400 V HA -0.239 3.883 4.120 0.003 0.000 0.256 400 V C 1.645 177.578 176.094 -0.268 0.000 1.082 400 V CA 1.678 63.825 62.300 -0.255 0.000 1.101 400 V CB -0.421 31.313 31.823 -0.148 0.000 0.693 400 V HN 0.352 nan 8.190 nan 0.000 0.479 401 D N -0.738 119.519 120.400 -0.239 0.000 2.144 401 D HA -0.168 4.474 4.640 0.003 0.000 0.199 401 D C 1.870 178.064 176.300 -0.176 0.000 0.984 401 D CA 1.154 55.054 54.000 -0.167 0.000 0.834 401 D CB -0.178 40.543 40.800 -0.132 0.000 0.955 401 D HN 0.513 nan 8.370 nan 0.000 0.465 402 H N 0.200 119.096 119.070 -0.289 0.000 2.541 402 H HA -0.065 4.493 4.556 0.003 0.000 0.289 402 H C 1.827 176.766 175.328 -0.648 0.000 1.054 402 H CA 0.334 55.968 56.048 -0.690 0.000 1.250 402 H CB -0.056 29.397 29.762 -0.515 0.000 1.369 402 H HN 0.133 nan 8.280 nan 0.000 0.578 403 L N -0.260 120.763 121.223 -0.333 0.000 2.554 403 L HA -0.002 4.340 4.340 0.003 0.000 0.226 403 L C 1.496 178.319 176.870 -0.078 0.000 1.137 403 L CA 0.636 55.298 54.840 -0.297 0.000 0.863 403 L CB -0.072 41.728 42.059 -0.432 0.000 0.985 403 L HN 0.131 nan 8.230 nan 0.000 0.451 404 M N -1.379 118.221 119.600 0.001 0.000 2.571 404 M HA 0.180 4.662 4.480 0.003 0.000 0.235 404 M C -0.214 176.243 176.300 0.262 0.000 1.216 404 M CA 0.050 55.425 55.300 0.126 0.000 0.979 404 M CB -1.252 31.415 32.600 0.111 0.000 1.616 404 M HN 0.005 nan 8.290 nan 0.000 0.469 405 H N 0.631 119.729 119.070 0.046 0.000 2.487 405 H HA 0.458 5.015 4.556 0.003 0.000 0.333 405 H C -2.061 173.284 175.328 0.029 0.000 1.114 405 H CA -2.306 53.767 56.048 0.042 0.000 1.310 405 H CB 0.268 30.069 29.762 0.065 0.000 1.462 405 H HN 0.008 nan 8.280 nan 0.000 0.516 406 P HA 0.174 nan 4.420 nan 0.000 0.282 406 P C -0.532 176.785 177.300 0.028 0.000 1.249 406 P CA -0.603 62.516 63.100 0.033 0.000 0.806 406 P CB 0.929 32.615 31.700 -0.023 0.000 0.984 407 N N 1.358 120.068 118.700 0.015 0.000 2.701 407 N HA 0.470 5.212 4.740 0.003 0.000 0.290 407 N C -0.783 174.718 175.510 -0.015 0.000 1.338 407 N CA -0.839 52.209 53.050 -0.003 0.000 0.799 407 N CB -0.146 38.340 38.487 -0.002 0.000 1.491 407 N HN -0.021 nan 8.380 nan 0.000 0.540 408 L N -0.335 120.875 121.223 -0.022 0.000 2.468 408 L HA 0.313 4.655 4.340 0.003 0.000 0.253 408 L C 0.976 177.835 176.870 -0.018 0.000 1.237 408 L CA 0.379 55.204 54.840 -0.025 0.000 0.823 408 L CB -0.201 41.843 42.059 -0.025 0.000 1.124 408 L HN 0.779 nan 8.230 nan 0.000 0.504 409 E N 0.044 120.233 120.200 -0.019 0.000 2.320 409 E HA 0.339 4.691 4.350 0.003 0.000 0.264 409 E C -2.012 174.581 176.600 -0.012 0.000 0.923 409 E CA -1.779 54.613 56.400 -0.013 0.000 0.796 409 E CB 1.705 31.397 29.700 -0.013 0.000 1.262 409 E HN 0.288 nan 8.360 nan 0.000 0.428 410 P HA -0.121 nan 4.420 nan 0.000 0.228 410 P C 0.660 177.956 177.300 -0.007 0.000 1.143 410 P CA 1.107 64.202 63.100 -0.007 0.000 0.771 410 P CB -0.174 31.523 31.700 -0.005 0.000 0.764 411 G N -0.584 108.211 108.800 -0.009 0.000 3.028 411 G HA2 0.010 3.972 3.960 0.003 0.000 0.205 411 G HA3 0.010 3.972 3.960 0.003 0.000 0.205 411 G C 1.168 176.064 174.900 -0.006 0.000 1.182 411 G CA 0.495 45.591 45.100 -0.007 0.000 0.860 411 G HN 0.362 nan 8.290 nan 0.000 0.507 412 A N -0.401 122.415 122.820 -0.007 0.000 2.267 412 A HA 0.428 4.750 4.320 0.003 0.000 0.213 412 A C 1.585 179.167 177.584 -0.005 0.000 1.192 412 A CA 0.558 52.591 52.037 -0.007 0.000 0.851 412 A CB 0.350 19.343 19.000 -0.012 0.000 0.881 412 A HN 0.252 nan 8.150 nan 0.000 0.494 413 E N -1.165 119.033 120.200 -0.004 0.000 2.641 413 E HA 0.119 4.471 4.350 0.003 0.000 0.224 413 E C 1.318 177.918 176.600 0.000 0.000 0.951 413 E CA 0.181 56.579 56.400 -0.002 0.000 1.102 413 E CB 0.158 29.856 29.700 -0.005 0.000 1.091 413 E HN 0.519 nan 8.360 nan 0.000 0.507 414 K N 0.969 121.369 120.400 0.001 0.000 2.127 414 K HA -0.064 4.258 4.320 0.003 0.000 0.208 414 K C 0.163 176.767 176.600 0.008 0.000 1.047 414 K CA 1.463 57.752 56.287 0.004 0.000 0.927 414 K CB 0.103 32.606 32.500 0.005 0.000 0.716 414 K HN 0.108 nan 8.250 nan 0.000 0.450 415 A N -0.427 122.398 122.820 0.009 0.000 2.589 415 A HA 0.233 4.554 4.320 0.003 0.000 0.296 415 A C -0.682 176.907 177.584 0.009 0.000 1.062 415 A CA -0.847 51.197 52.037 0.011 0.000 0.686 415 A CB 1.024 20.035 19.000 0.019 0.000 1.282 415 A HN 0.300 nan 8.150 nan 0.000 0.404 416 N N 0.775 119.479 118.700 0.007 0.000 2.024 416 N HA -0.014 4.728 4.740 0.003 0.000 0.207 416 N C 0.470 175.983 175.510 0.006 0.000 1.076 416 N CA 1.163 54.215 53.050 0.003 0.000 1.022 416 N CB -0.153 38.335 38.487 0.001 0.000 1.266 416 N HN 0.946 nan 8.380 nan 0.000 0.508 417 K N -2.037 118.367 120.400 0.008 0.000 3.424 417 K HA -0.052 4.270 4.320 0.003 0.000 0.297 417 K C -2.667 173.939 176.600 0.009 0.000 1.365 417 K CA 0.170 56.465 56.287 0.013 0.000 0.889 417 K CB -2.507 30.003 32.500 0.016 0.000 1.455 417 K HN 0.255 nan 8.250 nan 0.000 0.483 418 P HA 0.090 nan 4.420 nan 0.000 0.266 418 P C 0.200 177.511 177.300 0.018 0.000 1.419 418 P CA 0.015 63.116 63.100 0.001 0.000 1.112 418 P CB -0.203 31.491 31.700 -0.011 0.000 1.438 419 I N 0.986 121.581 120.570 0.041 0.000 3.784 419 I HA 0.554 4.726 4.170 0.003 0.000 0.314 419 I C 0.875 177.048 176.117 0.092 0.000 1.401 419 I CA -0.350 60.997 61.300 0.079 0.000 1.254 419 I CB -0.626 37.465 38.000 0.152 0.000 1.165 419 I HN 0.210 nan 8.210 nan 0.000 0.420 420 G N 0.497 109.330 108.800 0.054 0.000 2.340 420 G HA2 0.511 4.473 3.960 0.003 0.000 0.298 420 G HA3 0.511 4.473 3.960 0.003 0.000 0.298 420 G C -1.829 173.086 174.900 0.025 0.000 1.498 420 G CA -1.189 43.943 45.100 0.054 0.000 0.847 420 G HN 0.298 nan 8.290 nan 0.000 0.594 421 R N -0.305 120.214 120.500 0.032 0.000 2.626 421 R HA 0.727 5.069 4.340 0.003 0.000 0.274 421 R C 0.065 176.415 176.300 0.084 0.000 1.031 421 R CA 0.085 56.199 56.100 0.023 0.000 0.898 421 R CB 1.896 32.176 30.300 -0.034 0.000 1.222 421 R HN 1.289 nan 8.270 nan 0.000 0.455 422 G N 2.229 111.077 108.800 0.080 0.000 3.137 422 G HA2 0.404 4.365 3.960 0.003 0.000 0.196 422 G HA3 0.404 4.365 3.960 0.003 0.000 0.196 422 G C -1.726 173.264 174.900 0.150 0.000 1.135 422 G CA -0.557 44.619 45.100 0.127 0.000 0.803 422 G HN 0.308 nan 8.290 nan 0.000 0.619 423 L N 0.874 122.175 121.223 0.130 0.000 2.357 423 L HA 0.641 4.983 4.340 0.003 0.000 0.273 423 L C 1.217 178.122 176.870 0.058 0.000 1.080 423 L CA -0.309 54.608 54.840 0.129 0.000 0.803 423 L CB 1.680 43.816 42.059 0.129 0.000 1.174 423 L HN 0.604 nan 8.230 nan 0.000 0.443 424 A N 2.643 125.491 122.820 0.047 0.000 2.916 424 A HA 0.426 4.748 4.320 0.003 0.000 0.254 424 A C 1.619 179.189 177.584 -0.024 0.000 1.544 424 A CA 0.433 52.470 52.037 0.001 0.000 1.224 424 A CB -0.960 18.038 19.000 -0.004 0.000 1.012 424 A HN 0.884 nan 8.150 nan 0.000 0.636 425 A N -0.215 122.594 122.820 -0.018 0.000 1.917 425 A HA 0.025 4.347 4.320 0.003 0.000 0.219 425 A C 1.369 178.907 177.584 -0.077 0.000 1.182 425 A CA 1.838 53.852 52.037 -0.039 0.000 0.633 425 A CB -0.139 18.845 19.000 -0.028 0.000 0.819 425 A HN 0.806 nan 8.150 nan 0.000 0.448 426 S N -0.528 115.126 115.700 -0.078 0.000 2.619 426 S HA 0.527 4.998 4.470 0.003 0.000 0.280 426 S C -3.089 171.450 174.600 -0.101 0.000 1.150 426 S CA -1.690 56.453 58.200 -0.094 0.000 0.978 426 S CB 1.544 64.692 63.200 -0.086 0.000 1.041 426 S HN 0.081 nan 8.310 nan 0.000 0.485 427 P HA 0.410 nan 4.420 nan 0.000 0.266 427 P C 0.477 177.699 177.300 -0.130 0.000 1.193 427 P CA 0.760 63.735 63.100 -0.209 0.000 0.770 427 P CB 0.235 31.659 31.700 -0.459 0.000 0.836 428 G N -0.077 108.660 108.800 -0.106 0.000 2.353 428 G HA2 0.452 4.414 3.960 0.003 0.000 0.615 428 G HA3 0.452 4.414 3.960 0.003 0.000 0.615 428 G C -1.847 173.033 174.900 -0.032 0.000 1.280 428 G CA -0.190 44.893 45.100 -0.029 0.000 1.000 428 G HN 0.664 nan 8.290 nan 0.000 0.516 429 A N -1.156 121.651 122.820 -0.022 0.000 2.520 429 A HA 1.113 5.435 4.320 0.003 0.000 0.298 429 A C -0.188 177.370 177.584 -0.043 0.000 1.051 429 A CA 0.475 52.492 52.037 -0.033 0.000 0.690 429 A CB 1.409 20.389 19.000 -0.032 0.000 1.281 429 A HN 2.635 nan 8.150 nan 0.000 0.402 430 A N 1.352 124.147 122.820 -0.042 0.000 2.427 430 A HA 0.708 5.030 4.320 0.003 0.000 0.298 430 A C -0.666 176.897 177.584 -0.036 0.000 1.036 430 A CA -0.443 51.563 52.037 -0.052 0.000 0.701 430 A CB 1.080 20.046 19.000 -0.056 0.000 1.250 430 A HN 1.537 nan 8.150 nan 0.000 0.412 431 V N 0.671 120.554 119.914 -0.052 0.000 2.973 431 V HA 0.969 5.091 4.120 0.003 0.000 0.314 431 V C 0.778 176.873 176.094 0.003 0.000 1.066 431 V CA 0.173 62.459 62.300 -0.023 0.000 1.021 431 V CB 1.373 33.121 31.823 -0.126 0.000 1.076 431 V HN 1.970 nan 8.190 nan 0.000 0.462 432 G N 1.419 110.258 108.800 0.065 0.000 2.343 432 G HA2 0.309 4.271 3.960 0.003 0.000 0.298 432 G HA3 0.309 4.271 3.960 0.003 0.000 0.298 432 G C -1.519 173.336 174.900 -0.075 0.000 1.644 432 G CA -1.001 44.104 45.100 0.008 0.000 0.958 432 G HN 0.622 nan 8.290 nan 0.000 0.702 433 Q N -0.569 119.184 119.800 -0.079 0.000 2.394 433 Q HA 0.497 4.839 4.340 0.003 0.000 0.248 433 Q C 0.928 176.667 176.000 -0.436 0.000 0.992 433 Q CA -0.282 55.398 55.803 -0.205 0.000 0.888 433 Q CB 1.963 30.676 28.738 -0.041 0.000 1.257 433 Q HN 1.271 nan 8.270 nan 0.000 0.462 434 V N -0.120 119.425 119.914 -0.616 0.000 2.973 434 V HA 0.854 4.976 4.120 0.003 0.000 0.314 434 V C -0.395 175.300 176.094 -0.665 0.000 1.066 434 V CA -0.586 61.297 62.300 -0.695 0.000 1.021 434 V CB 1.628 32.933 31.823 -0.863 0.000 1.076 434 V HN 0.674 nan 8.190 nan 0.000 0.462 435 V N 0.266 119.781 119.914 -0.665 0.000 3.204 435 V HA 0.595 4.717 4.120 0.003 0.000 0.298 435 V C -0.659 175.184 176.094 -0.419 0.000 1.328 435 V CA -0.499 61.523 62.300 -0.464 0.000 1.035 435 V CB 1.554 33.025 31.823 -0.587 0.000 1.095 435 V HN 0.799 nan 8.190 nan 0.000 0.442 436 F N 1.117 120.994 119.950 -0.121 0.000 2.683 436 F HA 0.519 5.047 4.527 0.003 0.000 0.306 436 F C 0.324 176.112 175.800 -0.021 0.000 1.102 436 F CA -0.016 57.958 58.000 -0.043 0.000 1.244 436 F CB 0.514 39.518 39.000 0.006 0.000 1.029 436 F HN 0.953 nan 8.300 nan 0.000 0.545 437 D N -2.596 117.859 120.400 0.093 0.000 2.671 437 D HA 0.466 5.108 4.640 0.003 0.000 0.273 437 D C 0.711 177.033 176.300 0.037 0.000 1.264 437 D CA -0.439 53.603 54.000 0.069 0.000 0.788 437 D CB 0.705 41.562 40.800 0.094 0.000 1.324 437 D HN -0.124 nan 8.370 nan 0.000 0.424 438 A N 0.222 123.065 122.820 0.038 0.000 1.927 438 A HA -0.265 4.057 4.320 0.003 0.000 0.220 438 A C 1.661 179.272 177.584 0.045 0.000 1.185 438 A CA 2.198 54.255 52.037 0.034 0.000 0.639 438 A CB -0.903 18.121 19.000 0.040 0.000 0.820 438 A HN 0.679 nan 8.150 nan 0.000 0.451 439 E N -0.556 119.681 120.200 0.062 0.000 2.170 439 E HA -0.003 4.349 4.350 0.003 0.000 0.191 439 E C 2.231 178.901 176.600 0.116 0.000 0.981 439 E CA 0.795 57.243 56.400 0.080 0.000 0.830 439 E CB -0.155 29.591 29.700 0.078 0.000 0.775 439 E HN 0.513 nan 8.360 nan 0.000 0.470 440 S N 0.870 116.636 115.700 0.110 0.000 2.365 440 S HA -0.273 4.198 4.470 0.003 0.000 0.221 440 S C 2.152 176.827 174.600 0.124 0.000 1.037 440 S CA 1.479 59.758 58.200 0.133 0.000 1.060 440 S CB -0.510 62.707 63.200 0.028 0.000 0.974 440 S HN 0.449 nan 8.310 nan 0.000 0.427 441 A N 1.382 124.202 122.820 0.000 0.000 1.972 441 A HA -0.081 4.241 4.320 0.003 0.000 0.219 441 A C 1.919 179.554 177.584 0.084 0.000 1.169 441 A CA 1.221 53.255 52.037 -0.004 0.000 0.635 441 A CB -0.382 18.579 19.000 -0.064 0.000 0.810 441 A HN 0.235 nan 8.150 nan 0.000 0.446 442 K N -0.170 120.280 120.400 0.084 0.000 2.362 442 K HA -0.162 4.160 4.320 0.003 0.000 0.202 442 K C 1.656 178.323 176.600 0.111 0.000 1.045 442 K CA 1.593 57.929 56.287 0.082 0.000 0.936 442 K CB -0.084 32.458 32.500 0.071 0.000 0.747 442 K HN 0.821 nan 8.250 nan 0.000 0.467 443 E N -1.442 118.872 120.200 0.191 0.000 2.121 443 E HA -0.050 4.302 4.350 0.003 0.000 0.194 443 E C 1.456 178.185 176.600 0.215 0.000 0.940 443 E CA -0.073 56.441 56.400 0.191 0.000 0.884 443 E CB -0.060 29.773 29.700 0.220 0.000 0.874 443 E HN 0.155 nan 8.360 nan 0.000 0.471 444 W N 2.300 123.600 121.300 -0.000 0.000 2.359 444 W HA -0.106 4.556 4.660 0.003 0.000 0.275 444 W C 1.070 177.582 176.519 -0.012 0.000 1.217 444 W CA 0.947 58.289 57.345 -0.005 0.000 1.196 444 W CB -0.781 28.674 29.460 -0.008 0.000 1.129 444 W HN -0.018 nan 8.180 nan 0.000 0.566 445 S N 0.212 116.034 115.700 0.203 0.000 2.414 445 S HA 0.553 5.025 4.470 0.003 0.000 0.290 445 S C 0.971 175.610 174.600 0.065 0.000 1.160 445 S CA 0.116 58.376 58.200 0.100 0.000 1.069 445 S CB 0.626 63.866 63.200 0.068 0.000 1.012 445 S HN 0.527 nan 8.310 nan 0.000 0.510 446 G N 3.363 112.185 108.800 0.038 0.000 2.624 446 G HA2 -0.180 3.782 3.960 0.003 0.000 0.190 446 G HA3 -0.180 3.782 3.960 0.003 0.000 0.190 446 G C 0.714 175.608 174.900 -0.009 0.000 1.008 446 G CA -0.208 44.899 45.100 0.011 0.000 0.731 446 G HN 0.624 nan 8.290 nan 0.000 0.478 447 R N 0.961 121.453 120.500 -0.013 0.000 2.317 447 R HA 0.406 4.748 4.340 0.003 0.000 0.208 447 R C 1.864 178.155 176.300 -0.016 0.000 0.914 447 R CA 1.238 57.312 56.100 -0.044 0.000 1.060 447 R CB -0.265 29.968 30.300 -0.112 0.000 1.015 447 R HN 1.212 nan 8.270 nan 0.000 0.498 448 G N 1.160 109.964 108.800 0.007 0.000 2.176 448 G HA2 -0.278 3.684 3.960 0.003 0.000 0.253 448 G HA3 -0.278 3.684 3.960 0.003 0.000 0.253 448 G C -0.277 174.643 174.900 0.035 0.000 0.979 448 G CA 0.011 45.118 45.100 0.012 0.000 0.641 448 G HN 0.288 nan 8.290 nan 0.000 0.530 449 K N 0.944 121.384 120.400 0.068 0.000 2.234 449 K HA 0.427 4.749 4.320 0.003 0.000 0.282 449 K C 0.178 176.845 176.600 0.111 0.000 1.039 449 K CA -0.242 56.117 56.287 0.119 0.000 0.928 449 K CB 1.124 33.758 32.500 0.225 0.000 1.039 449 K HN 0.157 nan 8.250 nan 0.000 0.470 450 K N 1.762 122.206 120.400 0.074 0.000 2.172 450 K HA 0.353 4.675 4.320 0.003 0.000 0.276 450 K C -0.732 175.874 176.600 0.010 0.000 1.013 450 K CA -0.599 55.706 56.287 0.030 0.000 0.913 450 K CB 1.679 34.179 32.500 -0.001 0.000 1.055 450 K HN 0.185 nan 8.250 nan 0.000 0.461 451 V N 4.764 124.658 119.914 -0.035 0.000 2.656 451 V HA 0.373 4.495 4.120 0.003 0.000 0.307 451 V C -0.581 175.421 176.094 -0.154 0.000 1.051 451 V CA -0.884 61.347 62.300 -0.115 0.000 0.893 451 V CB 1.838 33.592 31.823 -0.114 0.000 0.999 451 V HN 0.663 nan 8.190 nan 0.000 0.426 452 I N 5.477 125.907 120.570 -0.233 0.000 2.359 452 I HA 0.417 4.589 4.170 0.003 0.000 0.294 452 I C -0.040 175.892 176.117 -0.309 0.000 0.987 452 I CA -0.233 60.925 61.300 -0.236 0.000 1.225 452 I CB 1.665 39.522 38.000 -0.238 0.000 1.366 452 I HN 0.617 nan 8.210 nan 0.000 0.466 453 M N 8.401 127.857 119.600 -0.242 0.000 2.238 453 M HA 0.486 4.968 4.480 0.003 0.000 0.350 453 M C -1.330 174.808 176.300 -0.269 0.000 1.138 453 M CA -0.601 54.542 55.300 -0.262 0.000 1.040 453 M CB 1.304 33.804 32.600 -0.166 0.000 1.639 453 M HN 0.336 nan 8.290 nan 0.000 0.451 454 V N 3.206 122.895 119.914 -0.376 0.000 2.444 454 V HA 0.760 4.882 4.120 0.003 0.000 0.294 454 V C -0.734 175.233 176.094 -0.211 0.000 1.022 454 V CA -0.760 61.329 62.300 -0.352 0.000 0.850 454 V CB 1.280 32.771 31.823 -0.553 0.000 0.992 454 V HN 0.872 nan 8.190 nan 0.000 0.426 455 R N 2.612 123.044 120.500 -0.114 0.000 2.725 455 R HA 0.527 4.869 4.340 0.003 0.000 0.277 455 R C 0.512 176.799 176.300 -0.022 0.000 0.987 455 R CA -0.857 55.228 56.100 -0.025 0.000 0.901 455 R CB 2.434 32.732 30.300 -0.003 0.000 1.207 455 R HN 0.873 nan 8.270 nan 0.000 0.463 456 L N 1.269 122.498 121.223 0.009 0.000 1.956 456 L HA -0.161 4.181 4.340 0.003 0.000 0.216 456 L C 0.502 177.370 176.870 -0.003 0.000 1.073 456 L CA 1.909 56.749 54.840 0.001 0.000 0.762 456 L CB 0.137 42.203 42.059 0.013 0.000 0.889 456 L HN 0.750 nan 8.230 nan 0.000 0.433 457 E N -1.476 118.729 120.200 0.008 0.000 2.367 457 E HA 0.406 4.758 4.350 0.003 0.000 0.273 457 E C -0.793 175.832 176.600 0.040 0.000 0.903 457 E CA -0.446 55.967 56.400 0.022 0.000 0.764 457 E CB 1.423 31.130 29.700 0.013 0.000 1.252 457 E HN 0.234 nan 8.360 nan 0.000 0.446 458 T N -0.649 113.960 114.554 0.091 0.000 2.880 458 T HA 0.749 5.101 4.350 0.003 0.000 0.279 458 T C 0.272 175.016 174.700 0.075 0.000 0.990 458 T CA -0.114 62.070 62.100 0.139 0.000 0.938 458 T CB 1.266 70.277 68.868 0.238 0.000 1.206 458 T HN 0.936 nan 8.240 nan 0.000 0.573 459 S N -0.754 114.922 115.700 -0.040 0.000 2.645 459 S HA 0.391 4.863 4.470 0.003 0.000 0.268 459 S C -2.837 171.586 174.600 -0.296 0.000 1.110 459 S CA -0.898 57.023 58.200 -0.465 0.000 0.823 459 S CB 0.938 64.017 63.200 -0.202 0.000 1.091 459 S HN 0.541 nan 8.310 nan 0.000 0.466 460 P HA 0.047 nan 4.420 nan 0.000 0.244 460 P C 0.622 177.923 177.300 0.002 0.000 1.211 460 P CA 0.862 63.926 63.100 -0.060 0.000 0.760 460 P CB -0.272 31.396 31.700 -0.053 0.000 0.961 461 E N -0.804 119.391 120.200 -0.008 0.000 2.526 461 E HA 0.037 4.389 4.350 0.003 0.000 0.208 461 E C -0.052 176.569 176.600 0.035 0.000 0.997 461 E CA 0.034 56.445 56.400 0.019 0.000 0.961 461 E CB -0.366 29.343 29.700 0.015 0.000 1.030 461 E HN 0.062 nan 8.360 nan 0.000 0.483 462 D N 0.830 121.258 120.400 0.046 0.000 2.336 462 D HA 0.107 4.748 4.640 0.003 0.000 0.228 462 D C 1.157 177.500 176.300 0.071 0.000 1.120 462 D CA -0.031 54.005 54.000 0.059 0.000 0.839 462 D CB 0.469 41.310 40.800 0.070 0.000 0.932 462 D HN 0.073 nan 8.370 nan 0.000 0.509 463 L N 0.371 121.639 121.223 0.074 0.000 2.102 463 L HA 0.144 4.486 4.340 0.003 0.000 0.202 463 L C 2.119 179.019 176.870 0.049 0.000 1.076 463 L CA 1.037 55.924 54.840 0.079 0.000 0.761 463 L CB -0.409 41.702 42.059 0.086 0.000 0.921 463 L HN 0.056 nan 8.230 nan 0.000 0.444 464 A N -0.557 122.288 122.820 0.042 0.000 1.908 464 A HA -0.134 4.188 4.320 0.003 0.000 0.218 464 A C 2.253 179.853 177.584 0.027 0.000 1.181 464 A CA 1.709 53.766 52.037 0.033 0.000 0.627 464 A CB -1.525 17.495 19.000 0.033 0.000 0.818 464 A HN 0.501 nan 8.150 nan 0.000 0.445 465 G N -1.445 107.371 108.800 0.027 0.000 2.484 465 G HA2 -0.076 3.885 3.960 0.003 0.000 0.218 465 G HA3 -0.076 3.885 3.960 0.003 0.000 0.218 465 G C 1.562 176.462 174.900 0.001 0.000 1.130 465 G CA 0.853 45.962 45.100 0.016 0.000 0.784 465 G HN 0.440 nan 8.290 nan 0.000 0.543 466 M N 1.407 121.012 119.600 0.008 0.000 2.080 466 M HA -0.079 4.403 4.480 0.003 0.000 0.260 466 M C 2.123 178.413 176.300 -0.015 0.000 1.068 466 M CA 1.739 57.035 55.300 -0.006 0.000 1.109 466 M CB -0.135 32.471 32.600 0.010 0.000 1.342 466 M HN 0.322 nan 8.290 nan 0.000 0.405 467 D N -0.315 120.084 120.400 -0.003 0.000 2.349 467 D HA 0.025 4.667 4.640 0.003 0.000 0.224 467 D C 1.233 177.530 176.300 -0.004 0.000 1.029 467 D CA 0.847 54.844 54.000 -0.004 0.000 0.879 467 D CB 0.060 40.863 40.800 0.006 0.000 0.906 467 D HN 0.276 nan 8.370 nan 0.000 0.528 468 A N 0.845 123.662 122.820 -0.004 0.000 1.871 468 A HA 0.475 4.796 4.320 0.003 0.000 0.211 468 A C 1.620 179.195 177.584 -0.016 0.000 1.207 468 A CA 0.641 52.677 52.037 -0.001 0.000 0.620 468 A CB -0.756 18.250 19.000 0.012 0.000 0.860 468 A HN 0.350 nan 8.150 nan 0.000 0.450 469 A N -1.027 121.774 122.820 -0.032 0.000 2.540 469 A HA 0.213 4.535 4.320 0.003 0.000 0.239 469 A C 1.163 178.711 177.584 -0.060 0.000 1.061 469 A CA 0.220 52.223 52.037 -0.057 0.000 0.758 469 A CB -0.292 18.659 19.000 -0.082 0.000 0.991 469 A HN 0.581 nan 8.150 nan 0.000 0.502 470 C N 1.955 121.214 119.300 -0.067 0.000 2.448 470 C HA 0.326 4.788 4.460 0.003 0.000 0.280 470 C C 1.523 176.466 174.990 -0.078 0.000 1.398 470 C CA 0.970 59.944 59.018 -0.074 0.000 1.774 470 C CB -1.377 26.320 27.740 -0.073 0.000 1.888 470 C HN 1.035 nan 8.230 nan 0.000 0.519 471 G N -1.059 107.692 108.800 -0.082 0.000 2.692 471 G HA2 0.681 4.643 3.960 0.003 0.000 0.291 471 G HA3 0.681 4.643 3.960 0.003 0.000 0.291 471 G C -1.464 173.382 174.900 -0.089 0.000 1.423 471 G CA -0.292 44.761 45.100 -0.078 0.000 0.843 471 G HN 0.119 nan 8.290 nan 0.000 0.486 472 I N 0.462 120.983 120.570 -0.081 0.000 2.582 472 I HA 0.514 4.686 4.170 0.003 0.000 0.292 472 I C -1.079 174.989 176.117 -0.082 0.000 1.066 472 I CA -0.817 60.430 61.300 -0.089 0.000 1.053 472 I CB 2.495 40.448 38.000 -0.079 0.000 1.241 472 I HN 0.209 nan 8.210 nan 0.000 0.421 473 L N 5.664 126.826 121.223 -0.102 0.000 2.504 473 L HA 0.445 4.787 4.340 0.003 0.000 0.265 473 L C -0.406 176.392 176.870 -0.120 0.000 0.975 473 L CA -0.150 54.630 54.840 -0.100 0.000 0.864 473 L CB 1.939 43.934 42.059 -0.108 0.000 1.212 473 L HN 0.767 nan 8.230 nan 0.000 0.416 474 T N 0.116 114.622 114.554 -0.080 0.000 2.952 474 T HA 0.602 4.954 4.350 0.003 0.000 0.286 474 T C 0.876 175.537 174.700 -0.064 0.000 1.024 474 T CA 0.005 62.063 62.100 -0.069 0.000 1.029 474 T CB 2.131 70.982 68.868 -0.029 0.000 1.094 474 T HN 0.524 nan 8.240 nan 0.000 0.515 475 A N 1.132 123.918 122.820 -0.056 0.000 1.975 475 A HA 0.292 4.614 4.320 0.003 0.000 0.215 475 A C 1.122 178.697 177.584 -0.014 0.000 1.170 475 A CA 0.373 52.385 52.037 -0.042 0.000 0.656 475 A CB -0.339 18.642 19.000 -0.032 0.000 0.821 475 A HN 0.973 nan 8.150 nan 0.000 0.449 476 R N -2.735 117.761 120.500 -0.006 0.000 2.771 476 R HA 0.632 4.974 4.340 0.003 0.000 0.274 476 R C -0.348 175.961 176.300 0.014 0.000 0.987 476 R CA -0.207 55.896 56.100 0.005 0.000 0.908 476 R CB 1.166 31.466 30.300 -0.001 0.000 1.213 476 R HN 0.988 nan 8.270 nan 0.000 0.468 477 G N 0.197 109.009 108.800 0.020 0.000 2.521 477 G HA2 0.327 4.289 3.960 0.003 0.000 0.589 477 G HA3 0.327 4.289 3.960 0.003 0.000 0.589 477 G C -0.397 174.526 174.900 0.038 0.000 1.501 477 G CA -0.533 44.584 45.100 0.029 0.000 0.887 477 G HN 0.841 nan 8.290 nan 0.000 0.654 478 G N -0.041 108.780 108.800 0.035 0.000 2.489 478 G HA2 0.512 4.474 3.960 0.003 0.000 0.271 478 G HA3 0.512 4.474 3.960 0.003 0.000 0.271 478 G C 1.301 176.248 174.900 0.079 0.000 1.427 478 G CA 0.370 45.498 45.100 0.046 0.000 1.057 478 G HN 1.016 nan 8.290 nan 0.000 0.532 479 M N -0.711 118.958 119.600 0.116 0.000 2.476 479 M HA 0.046 4.528 4.480 0.003 0.000 0.262 479 M C 2.241 178.635 176.300 0.158 0.000 1.079 479 M CA 1.535 56.915 55.300 0.134 0.000 1.104 479 M CB -0.164 32.563 32.600 0.212 0.000 1.409 479 M HN 0.510 nan 8.290 nan 0.000 0.467 480 T N -1.113 113.547 114.554 0.178 0.000 3.107 480 T HA 0.154 4.505 4.350 0.003 0.000 0.249 480 T C 0.636 175.401 174.700 0.109 0.000 1.096 480 T CA 0.208 62.414 62.100 0.177 0.000 1.012 480 T CB -0.318 68.645 68.868 0.160 0.000 0.977 480 T HN 0.362 nan 8.240 nan 0.000 0.527 481 S N 1.069 116.818 115.700 0.081 0.000 2.599 481 S HA -0.110 4.362 4.470 0.003 0.000 0.303 481 S C 1.272 175.923 174.600 0.085 0.000 1.267 481 S CA 0.106 58.349 58.200 0.073 0.000 1.055 481 S CB 0.052 63.281 63.200 0.049 0.000 0.790 481 S HN 0.657 nan 8.310 nan 0.000 0.500 482 H N 4.874 123.957 119.070 0.022 0.000 2.252 482 H HA -0.236 4.321 4.556 0.003 0.000 0.292 482 H C 2.143 177.477 175.328 0.010 0.000 1.082 482 H CA 2.357 58.416 56.048 0.019 0.000 1.229 482 H CB -0.721 29.051 29.762 0.015 0.000 1.353 482 H HN 0.816 nan 8.280 nan 0.000 0.488 483 A N 1.542 124.284 122.820 -0.129 0.000 1.915 483 A HA -0.280 4.042 4.320 0.003 0.000 0.220 483 A C 2.801 180.286 177.584 -0.165 0.000 1.198 483 A CA 2.911 54.838 52.037 -0.183 0.000 0.647 483 A CB -1.486 17.484 19.000 -0.050 0.000 0.825 483 A HN 0.719 nan 8.150 nan 0.000 0.456 484 A N -0.805 121.963 122.820 -0.087 0.000 1.849 484 A HA -0.103 4.218 4.320 0.003 0.000 0.217 484 A C 2.251 179.778 177.584 -0.096 0.000 1.202 484 A CA 2.300 54.296 52.037 -0.069 0.000 0.629 484 A CB -1.377 17.611 19.000 -0.020 0.000 0.834 484 A HN 0.589 nan 8.150 nan 0.000 0.447 485 V N -0.425 119.441 119.914 -0.081 0.000 2.218 485 V HA -0.325 3.797 4.120 0.003 0.000 0.251 485 V C 2.589 178.616 176.094 -0.112 0.000 1.057 485 V CA 2.460 64.717 62.300 -0.073 0.000 1.022 485 V CB -0.943 30.866 31.823 -0.022 0.000 0.645 485 V HN 0.402 nan 8.190 nan 0.000 0.451 486 V N 0.011 119.809 119.914 -0.192 0.000 2.490 486 V HA -0.237 3.885 4.120 0.003 0.000 0.250 486 V C 2.590 178.606 176.094 -0.132 0.000 1.061 486 V CA 1.768 63.963 62.300 -0.176 0.000 1.064 486 V CB -1.208 30.433 31.823 -0.302 0.000 0.670 486 V HN 0.595 nan 8.190 nan 0.000 0.461 487 A N 0.142 122.878 122.820 -0.140 0.000 1.902 487 A HA -0.220 4.102 4.320 0.003 0.000 0.217 487 A C 2.399 179.920 177.584 -0.105 0.000 1.181 487 A CA 1.742 53.712 52.037 -0.111 0.000 0.623 487 A CB -0.456 18.482 19.000 -0.103 0.000 0.818 487 A HN 0.503 nan 8.150 nan 0.000 0.443 488 R N -0.958 119.481 120.500 -0.102 0.000 2.189 488 R HA -0.046 4.296 4.340 0.003 0.000 0.218 488 R C 2.202 178.455 176.300 -0.079 0.000 1.074 488 R CA 0.714 56.756 56.100 -0.097 0.000 0.991 488 R CB -0.435 29.803 30.300 -0.103 0.000 0.883 488 R HN 0.532 nan 8.270 nan 0.000 0.457 489 G N 0.779 109.539 108.800 -0.066 0.000 2.498 489 G HA2 -0.202 3.760 3.960 0.003 0.000 0.219 489 G HA3 -0.202 3.760 3.960 0.003 0.000 0.219 489 G C 1.185 176.069 174.900 -0.028 0.000 1.119 489 G CA 0.577 45.657 45.100 -0.033 0.000 0.766 489 G HN 0.284 nan 8.290 nan 0.000 0.552 490 M N -1.024 118.528 119.600 -0.081 0.000 2.268 490 M HA 0.381 4.863 4.480 0.003 0.000 0.355 490 M C 1.277 177.362 176.300 -0.357 0.000 0.938 490 M CA 0.239 55.468 55.300 -0.119 0.000 1.025 490 M CB 1.093 33.660 32.600 -0.054 0.000 1.773 490 M HN 0.078 nan 8.290 nan 0.000 0.613 491 G N 2.608 111.221 108.800 -0.312 0.000 2.283 491 G HA2 -0.294 3.668 3.960 0.003 0.000 0.280 491 G HA3 -0.294 3.668 3.960 0.003 0.000 0.280 491 G C -0.085 174.728 174.900 -0.146 0.000 1.029 491 G CA 0.509 45.417 45.100 -0.320 0.000 0.840 491 G HN 0.525 nan 8.290 nan 0.000 0.505 492 K N 0.469 120.808 120.400 -0.100 0.000 2.263 492 K HA 0.415 4.737 4.320 0.003 0.000 0.282 492 K C 1.390 177.962 176.600 -0.047 0.000 1.089 492 K CA -0.424 55.836 56.287 -0.044 0.000 0.907 492 K CB 0.100 32.566 32.500 -0.057 0.000 1.148 492 K HN 0.637 nan 8.250 nan 0.000 0.470 493 C N 4.338 123.624 119.300 -0.024 0.000 2.378 493 C HA 0.064 4.526 4.460 0.003 0.000 0.395 493 C C 0.458 175.417 174.990 -0.052 0.000 1.476 493 C CA -0.638 58.356 59.018 -0.040 0.000 1.541 493 C CB -1.516 26.206 27.740 -0.031 0.000 2.524 493 C HN 0.899 nan 8.230 nan 0.000 0.595 494 C N 6.020 125.287 119.300 -0.055 0.000 2.880 494 C HA 0.784 5.245 4.460 0.003 0.000 0.320 494 C C -0.701 174.264 174.990 -0.041 0.000 1.176 494 C CA -0.340 58.646 59.018 -0.053 0.000 1.390 494 C CB 0.987 28.689 27.740 -0.063 0.000 1.846 494 C HN 1.008 nan 8.230 nan 0.000 0.478 495 V N 5.299 125.193 119.914 -0.033 0.000 2.531 495 V HA 0.775 4.897 4.120 0.003 0.000 0.301 495 V C 0.239 176.324 176.094 -0.014 0.000 1.034 495 V CA 0.097 62.387 62.300 -0.016 0.000 0.865 495 V CB 1.753 33.569 31.823 -0.012 0.000 0.995 495 V HN 1.128 nan 8.190 nan 0.000 0.424 496 S N 2.889 118.593 115.700 0.008 0.000 2.810 496 S HA 0.801 5.273 4.470 0.003 0.000 0.315 496 S C 0.870 175.493 174.600 0.039 0.000 1.138 496 S CA 0.002 58.209 58.200 0.011 0.000 0.889 496 S CB 1.611 64.817 63.200 0.009 0.000 1.236 496 S HN 2.269 nan 8.310 nan 0.000 0.548 497 G N -0.195 108.625 108.800 0.033 0.000 2.361 497 G HA2 -0.260 3.702 3.960 0.003 0.000 0.294 497 G HA3 -0.260 3.702 3.960 0.003 0.000 0.294 497 G C 0.397 175.324 174.900 0.046 0.000 1.004 497 G CA 0.245 45.373 45.100 0.047 0.000 0.870 497 G HN 1.370 nan 8.290 nan 0.000 0.510 498 C N 1.382 120.695 119.300 0.022 0.000 2.218 498 C HA 0.614 5.076 4.460 0.003 0.000 0.353 498 C C 1.986 176.977 174.990 0.002 0.000 1.070 498 C CA 0.180 59.209 59.018 0.017 0.000 1.497 498 C CB -0.943 26.800 27.740 0.005 0.000 1.951 498 C HN 0.722 nan 8.230 nan 0.000 0.493 499 G N 3.056 111.857 108.800 0.002 0.000 2.920 499 G HA2 -0.050 3.912 3.960 0.003 0.000 0.208 499 G HA3 -0.050 3.912 3.960 0.003 0.000 0.208 499 G C 1.091 175.998 174.900 0.012 0.000 1.159 499 G CA 0.316 45.418 45.100 0.003 0.000 0.784 499 G HN 0.744 nan 8.290 nan 0.000 0.535 500 D N 0.107 120.519 120.400 0.019 0.000 2.194 500 D HA -0.035 4.607 4.640 0.003 0.000 0.204 500 D C 1.598 177.936 176.300 0.064 0.000 0.964 500 D CA 0.150 54.172 54.000 0.038 0.000 0.846 500 D CB -0.047 40.780 40.800 0.044 0.000 0.962 500 D HN 0.353 nan 8.370 nan 0.000 0.490 501 M N 2.247 121.881 119.600 0.057 0.000 2.303 501 M HA 0.056 4.538 4.480 0.003 0.000 0.350 501 M C -0.456 175.900 176.300 0.094 0.000 1.518 501 M CA -0.020 55.331 55.300 0.084 0.000 1.070 501 M CB 0.603 33.159 32.600 -0.073 0.000 1.910 501 M HN -0.205 nan 8.290 nan 0.000 0.458 502 V N 6.276 126.291 119.914 0.169 0.000 2.370 502 V HA 0.572 4.694 4.120 0.003 0.000 0.283 502 V C -0.446 175.775 176.094 0.213 0.000 1.023 502 V CA -0.707 61.677 62.300 0.140 0.000 0.857 502 V CB 0.847 32.731 31.823 0.102 0.000 0.985 502 V HN 0.839 nan 8.190 nan 0.000 0.443 503 I N 5.157 125.829 120.570 0.170 0.000 2.437 503 I HA 0.625 4.797 4.170 0.003 0.000 0.298 503 I C 0.745 176.941 176.117 0.132 0.000 0.984 503 I CA -0.689 60.744 61.300 0.222 0.000 1.214 503 I CB 1.884 40.005 38.000 0.203 0.000 1.365 503 I HN 0.732 nan 8.210 nan 0.000 0.469 504 R N 2.912 123.469 120.500 0.095 0.000 3.319 504 R HA 0.357 4.699 4.340 0.003 0.000 0.126 504 R C 0.935 177.214 176.300 -0.034 0.000 1.797 504 R CA -0.099 56.017 56.100 0.026 0.000 1.391 504 R CB -0.361 29.945 30.300 0.011 0.000 1.312 504 R HN 0.749 nan 8.270 nan 0.000 0.455 505 G N 0.857 109.592 108.800 -0.107 0.000 3.022 505 G HA2 0.147 4.109 3.960 0.003 0.000 0.157 505 G HA3 0.147 4.109 3.960 0.003 0.000 0.157 505 G C -0.321 174.307 174.900 -0.454 0.000 1.468 505 G CA -0.421 44.571 45.100 -0.180 0.000 1.058 505 G HN 0.047 nan 8.290 nan 0.000 0.581 506 K N 0.948 121.023 120.400 -0.541 0.000 3.322 506 K HA 0.201 4.523 4.320 0.003 0.000 0.291 506 K C 0.046 176.052 176.600 -0.991 0.000 1.131 506 K CA 0.050 55.670 56.287 -1.112 0.000 1.185 506 K CB -0.246 31.994 32.500 -0.433 0.000 1.338 506 K HN 0.379 nan 8.250 nan 0.000 0.380 507 S N 0.079 115.351 115.700 -0.714 0.000 2.651 507 S HA 0.785 5.256 4.470 0.003 0.000 0.279 507 S C -0.888 173.843 174.600 0.218 0.000 1.148 507 S CA -1.036 57.077 58.200 -0.146 0.000 0.837 507 S CB 1.394 64.535 63.200 -0.098 0.000 1.138 507 S HN 0.245 nan 8.310 nan 0.000 0.478 508 F N -1.487 118.603 119.950 0.232 0.000 2.708 508 F HA 0.689 5.217 4.527 0.003 0.000 0.309 508 F C -1.394 174.484 175.800 0.130 0.000 1.120 508 F CA -0.973 57.154 58.000 0.212 0.000 0.978 508 F CB 1.304 40.507 39.000 0.339 0.000 1.283 508 F HN 0.795 nan 8.300 nan 0.000 0.439 509 K N 3.820 124.374 120.400 0.257 0.000 2.316 509 K HA 0.508 4.830 4.320 0.003 0.000 0.267 509 K C -1.668 175.044 176.600 0.186 0.000 1.025 509 K CA -0.693 55.620 56.287 0.043 0.000 0.896 509 K CB 0.989 33.481 32.500 -0.013 0.000 1.124 509 K HN 0.794 nan 8.250 nan 0.000 0.451 510 L N 5.394 126.704 121.223 0.146 0.000 2.270 510 L HA 0.235 4.577 4.340 0.003 0.000 0.286 510 L C -0.566 176.346 176.870 0.069 0.000 1.059 510 L CA -0.086 54.890 54.840 0.227 0.000 0.839 510 L CB 0.127 42.445 42.059 0.432 0.000 1.221 510 L HN 0.804 nan 8.230 nan 0.000 0.431 511 N N 4.141 122.875 118.700 0.057 0.000 1.545 511 N HA -0.218 4.524 4.740 0.003 0.000 0.377 511 N C 1.198 176.699 175.510 -0.015 0.000 1.173 511 N CA 1.329 54.389 53.050 0.017 0.000 0.786 511 N CB 0.203 38.705 38.487 0.026 0.000 0.999 511 N HN 1.019 nan 8.380 nan 0.000 0.543 512 G N 1.014 109.787 108.800 -0.046 0.000 5.005 512 G HA2 -0.281 3.681 3.960 0.003 0.000 0.251 512 G HA3 -0.281 3.681 3.960 0.003 0.000 0.251 512 G C 0.177 174.991 174.900 -0.143 0.000 1.536 512 G CA 0.397 45.455 45.100 -0.070 0.000 1.060 512 G HN 0.760 nan 8.290 nan 0.000 0.683 513 S N -0.068 115.501 115.700 -0.219 0.000 2.585 513 S HA 0.676 5.148 4.470 0.003 0.000 0.277 513 S C 0.060 174.191 174.600 -0.783 0.000 1.241 513 S CA -0.057 57.864 58.200 -0.465 0.000 1.041 513 S CB 1.571 64.485 63.200 -0.477 0.000 0.987 513 S HN 0.985 nan 8.310 nan 0.000 0.512 514 V N 4.160 123.560 119.914 -0.857 0.000 2.667 514 V HA 0.697 4.819 4.120 0.003 0.000 0.308 514 V C -1.164 174.346 176.094 -0.973 0.000 1.048 514 V CA -0.488 61.344 62.300 -0.780 0.000 0.928 514 V CB 1.418 33.025 31.823 -0.360 0.000 1.004 514 V HN 0.790 nan 8.190 nan 0.000 0.444 515 F N 2.204 121.949 119.950 -0.342 0.000 2.626 515 F HA 0.868 5.397 4.527 0.003 0.000 0.311 515 F C -0.054 175.680 175.800 -0.110 0.000 1.088 515 F CA -1.155 56.686 58.000 -0.265 0.000 0.949 515 F CB 2.185 40.938 39.000 -0.411 0.000 1.322 515 F HN 0.497 nan 8.300 nan 0.000 0.461 516 R N -0.321 120.344 120.500 0.275 0.000 2.647 516 R HA 0.451 4.793 4.340 0.003 0.000 0.260 516 R C -0.856 175.554 176.300 0.184 0.000 1.154 516 R CA -0.978 55.256 56.100 0.223 0.000 1.029 516 R CB 1.127 31.487 30.300 0.100 0.000 1.262 516 R HN 0.493 nan 8.270 nan 0.000 0.437 517 E N 0.581 120.865 120.200 0.140 0.000 2.383 517 E HA -0.281 4.071 4.350 0.003 0.000 0.240 517 E C 0.884 177.484 176.600 0.001 0.000 1.458 517 E CA 1.715 58.097 56.400 -0.030 0.000 0.699 517 E CB -0.895 28.812 29.700 0.012 0.000 1.207 517 E HN 0.767 nan 8.360 nan 0.000 0.387 518 G N -0.290 108.547 108.800 0.061 0.000 2.489 518 G HA2 0.202 4.164 3.960 0.003 0.000 0.271 518 G HA3 0.202 4.164 3.960 0.003 0.000 0.271 518 G C -0.266 174.641 174.900 0.012 0.000 1.427 518 G CA -0.470 44.674 45.100 0.073 0.000 1.057 518 G HN 0.029 nan 8.290 nan 0.000 0.532 519 D N -0.418 119.992 120.400 0.017 0.000 2.349 519 D HA 0.444 5.086 4.640 0.003 0.000 0.232 519 D C -0.760 175.709 176.300 0.281 0.000 1.071 519 D CA -0.007 54.014 54.000 0.036 0.000 0.832 519 D CB 1.319 41.935 40.800 -0.306 0.000 1.086 519 D HN 0.063 nan 8.370 nan 0.000 0.504 520 Y N 1.266 121.555 120.300 -0.018 0.000 2.654 520 Y HA 0.626 5.178 4.550 0.003 0.000 0.327 520 Y C 0.660 176.587 175.900 0.045 0.000 1.122 520 Y CA -1.493 56.575 58.100 -0.054 0.000 1.227 520 Y CB 0.855 39.250 38.460 -0.108 0.000 1.370 520 Y HN 0.255 nan 8.280 nan 0.000 0.528 521 I N -1.675 119.005 120.570 0.184 0.000 2.918 521 I HA 0.820 4.992 4.170 0.003 0.000 0.301 521 I C -0.800 175.346 176.117 0.048 0.000 1.312 521 I CA -0.875 60.480 61.300 0.092 0.000 1.007 521 I CB 2.501 40.526 38.000 0.040 0.000 1.281 521 I HN 0.556 nan 8.210 nan 0.000 0.440 522 T N 1.717 116.284 114.554 0.021 0.000 2.887 522 T HA 0.838 5.190 4.350 0.003 0.000 0.292 522 T C -0.711 173.980 174.700 -0.015 0.000 1.087 522 T CA -0.764 61.337 62.100 0.003 0.000 1.009 522 T CB 2.195 71.063 68.868 0.000 0.000 1.203 522 T HN 0.926 nan 8.240 nan 0.000 0.518 523 I N 0.201 120.758 120.570 -0.022 0.000 3.195 523 I HA 0.353 4.525 4.170 0.003 0.000 0.313 523 I C -0.306 175.788 176.117 -0.038 0.000 1.237 523 I CA -1.044 60.238 61.300 -0.031 0.000 0.963 523 I CB 2.495 40.477 38.000 -0.030 0.000 1.278 523 I HN 0.928 nan 8.210 nan 0.000 0.460 524 D N 2.173 122.542 120.400 -0.052 0.000 2.348 524 D HA -0.006 4.636 4.640 0.003 0.000 0.216 524 D C 1.452 177.723 176.300 -0.050 0.000 0.970 524 D CA 1.098 55.060 54.000 -0.064 0.000 0.889 524 D CB -0.124 40.616 40.800 -0.101 0.000 0.912 524 D HN 0.659 nan 8.370 nan 0.000 0.524 525 G N -0.001 108.774 108.800 -0.042 0.000 2.511 525 G HA2 -0.050 3.912 3.960 0.003 0.000 0.217 525 G HA3 -0.050 3.912 3.960 0.003 0.000 0.217 525 G C 0.698 175.577 174.900 -0.034 0.000 1.133 525 G CA 0.967 46.046 45.100 -0.035 0.000 0.792 525 G HN 0.901 nan 8.290 nan 0.000 0.539 526 S N -1.550 114.133 115.700 -0.029 0.000 3.362 526 S HA -0.132 4.340 4.470 0.003 0.000 0.278 526 S C -0.062 174.526 174.600 -0.020 0.000 1.288 526 S CA 0.870 59.058 58.200 -0.019 0.000 0.850 526 S CB -2.461 60.734 63.200 -0.008 0.000 1.062 526 S HN 1.034 nan 8.310 nan 0.000 0.671 527 K N 0.476 120.863 120.400 -0.023 0.000 2.292 527 K HA 0.778 5.100 4.320 0.003 0.000 0.257 527 K C 0.465 177.059 176.600 -0.010 0.000 0.940 527 K CA -0.378 55.898 56.287 -0.019 0.000 0.811 527 K CB 1.588 34.071 32.500 -0.028 0.000 1.120 527 K HN 0.450 nan 8.250 nan 0.000 0.428 528 G N 3.468 112.267 108.800 -0.001 0.000 2.390 528 G HA2 0.487 4.449 3.960 0.003 0.000 0.270 528 G HA3 0.487 4.449 3.960 0.003 0.000 0.270 528 G C -0.557 174.326 174.900 -0.028 0.000 1.211 528 G CA -0.643 44.455 45.100 -0.004 0.000 0.842 528 G HN 0.533 nan 8.290 nan 0.000 0.519 529 L N 0.340 121.528 121.223 -0.059 0.000 2.307 529 L HA 0.582 4.923 4.340 0.003 0.000 0.252 529 L C 0.264 177.035 176.870 -0.165 0.000 1.191 529 L CA -0.968 53.832 54.840 -0.067 0.000 1.206 529 L CB 1.545 43.594 42.059 -0.017 0.000 1.687 529 L HN 0.418 nan 8.230 nan 0.000 0.520 530 I N -1.022 119.496 120.570 -0.087 0.000 3.114 530 I HA 0.290 4.462 4.170 0.003 0.000 0.326 530 I C -0.830 175.360 176.117 0.122 0.000 1.510 530 I CA 0.038 61.267 61.300 -0.120 0.000 0.918 530 I CB 0.682 38.566 38.000 -0.193 0.000 1.561 530 I HN 0.558 nan 8.210 nan 0.000 0.565 531 Y N 1.512 121.787 120.300 -0.042 0.000 2.923 531 Y HA -0.208 4.344 4.550 0.003 0.000 0.464 531 Y C 1.427 177.317 175.900 -0.017 0.000 1.228 531 Y CA 0.546 58.637 58.100 -0.015 0.000 2.402 531 Y CB -1.492 36.964 38.460 -0.007 0.000 1.266 531 Y HN 0.158 nan 8.280 nan 0.000 0.634 532 A N 0.416 123.313 122.820 0.128 0.000 2.771 532 A HA -0.161 4.161 4.320 0.003 0.000 0.294 532 A C 1.404 178.937 177.584 -0.085 0.000 1.500 532 A CA 2.067 54.115 52.037 0.018 0.000 0.829 532 A CB -2.072 16.935 19.000 0.011 0.000 0.998 532 A HN 1.839 nan 8.150 nan 0.000 0.526 533 G N -0.920 107.733 108.800 -0.245 0.000 3.229 533 G HA2 0.233 4.195 3.960 0.003 0.000 0.214 533 G HA3 0.233 4.195 3.960 0.003 0.000 0.214 533 G C 0.453 175.176 174.900 -0.295 0.000 1.256 533 G CA 0.723 45.539 45.100 -0.473 0.000 1.042 533 G HN 0.674 nan 8.290 nan 0.000 0.497 534 K N 1.069 121.374 120.400 -0.159 0.000 2.229 534 K HA 0.398 4.720 4.320 0.003 0.000 0.247 534 K C 0.738 177.289 176.600 -0.082 0.000 1.117 534 K CA -0.382 55.843 56.287 -0.103 0.000 1.036 534 K CB 0.032 32.496 32.500 -0.060 0.000 1.654 534 K HN 0.152 nan 8.250 nan 0.000 0.405 535 L N 1.976 123.144 121.223 -0.091 0.000 2.464 535 L HA 0.266 4.608 4.340 0.003 0.000 0.224 535 L C 0.254 177.098 176.870 -0.042 0.000 1.219 535 L CA -0.213 54.588 54.840 -0.065 0.000 0.831 535 L CB 0.180 42.196 42.059 -0.072 0.000 1.284 535 L HN 0.460 nan 8.230 nan 0.000 0.522 536 K N -0.188 120.197 120.400 -0.025 0.000 2.546 536 K HA 0.514 4.836 4.320 0.003 0.000 0.264 536 K C -1.531 175.072 176.600 0.006 0.000 0.937 536 K CA -0.855 55.426 56.287 -0.010 0.000 0.833 536 K CB 1.340 33.837 32.500 -0.004 0.000 1.378 536 K HN 0.390 nan 8.250 nan 0.000 0.432 537 L N 2.047 123.280 121.223 0.015 0.000 2.462 537 L HA 0.335 4.677 4.340 0.003 0.000 0.272 537 L C 0.789 177.690 176.870 0.051 0.000 1.166 537 L CA -0.492 54.371 54.840 0.038 0.000 0.880 537 L CB 0.241 42.331 42.059 0.053 0.000 1.142 537 L HN 0.663 nan 8.230 nan 0.000 0.473 538 R N 2.056 122.594 120.500 0.063 0.000 4.860 538 R HA 0.008 4.349 4.340 0.003 0.000 0.191 538 R C 1.208 177.553 176.300 0.075 0.000 1.936 538 R CA 0.334 56.472 56.100 0.063 0.000 1.609 538 R CB -0.040 30.303 30.300 0.072 0.000 1.392 538 R HN 0.975 nan 8.270 nan 0.000 0.844 539 S N 0.303 116.052 115.700 0.080 0.000 2.387 539 S HA 0.025 4.497 4.470 0.003 0.000 0.226 539 S C -1.099 173.519 174.600 0.030 0.000 1.026 539 S CA -0.114 58.147 58.200 0.103 0.000 0.972 539 S CB -0.548 62.733 63.200 0.135 0.000 0.814 539 S HN 0.419 nan 8.310 nan 0.000 0.477 540 P HA 0.168 nan 4.420 nan 0.000 0.237 540 P C -0.782 176.517 177.300 -0.002 0.000 1.701 540 P CA -0.154 62.932 63.100 -0.023 0.000 0.955 540 P CB -0.975 30.717 31.700 -0.013 0.000 1.937 541 D N 0.504 120.912 120.400 0.013 0.000 2.443 541 D HA -0.113 4.529 4.640 0.003 0.000 0.239 541 D C 0.855 177.195 176.300 0.067 0.000 1.136 541 D CA -0.502 53.529 54.000 0.051 0.000 0.879 541 D CB 0.469 41.316 40.800 0.078 0.000 1.195 541 D HN -0.059 nan 8.370 nan 0.000 0.443 542 L N 0.641 121.905 121.223 0.068 0.000 4.204 542 L HA -0.322 4.020 4.340 0.003 0.000 0.486 542 L C 1.080 177.986 176.870 0.060 0.000 1.072 542 L CA 1.691 56.580 54.840 0.082 0.000 0.798 542 L CB -1.985 40.151 42.059 0.129 0.000 1.766 542 L HN 0.906 nan 8.230 nan 0.000 0.877 543 K N -1.570 118.848 120.400 0.030 0.000 3.264 543 K HA -0.279 4.043 4.320 0.003 0.000 0.267 543 K C 1.039 177.633 176.600 -0.009 0.000 0.886 543 K CA 0.911 57.202 56.287 0.007 0.000 0.665 543 K CB -2.305 30.203 32.500 0.013 0.000 1.447 543 K HN 1.213 nan 8.250 nan 0.000 0.464 544 G N -1.093 107.693 108.800 -0.023 0.000 2.189 544 G HA2 -0.429 3.533 3.960 0.003 0.000 0.267 544 G HA3 -0.429 3.533 3.960 0.003 0.000 0.267 544 G C 0.879 175.727 174.900 -0.086 0.000 0.975 544 G CA 0.823 45.884 45.100 -0.066 0.000 0.644 544 G HN 0.581 nan 8.290 nan 0.000 0.537 545 S N -0.728 114.954 115.700 -0.030 0.000 2.355 545 S HA 0.117 4.589 4.470 0.003 0.000 0.210 545 S C 1.887 176.461 174.600 -0.043 0.000 1.035 545 S CA 1.619 59.802 58.200 -0.029 0.000 1.011 545 S CB -0.356 62.866 63.200 0.037 0.000 1.000 545 S HN 0.828 nan 8.310 nan 0.000 0.423 546 F N 2.885 122.775 119.950 -0.101 0.000 2.154 546 F HA -0.182 4.347 4.527 0.003 0.000 0.301 546 F C 2.432 178.146 175.800 -0.143 0.000 1.087 546 F CA 1.926 59.863 58.000 -0.105 0.000 1.274 546 F CB -0.759 38.206 39.000 -0.058 0.000 1.009 546 F HN 0.357 nan 8.300 nan 0.000 0.485 547 Q N -0.809 118.873 119.800 -0.197 0.000 2.197 547 Q HA -0.203 4.139 4.340 0.003 0.000 0.207 547 Q C 2.075 177.826 176.000 -0.414 0.000 0.984 547 Q CA 2.119 57.751 55.803 -0.285 0.000 0.869 547 Q CB -0.984 27.666 28.738 -0.147 0.000 0.906 547 Q HN 0.416 nan 8.270 nan 0.000 0.426 548 T N 1.503 115.774 114.554 -0.473 0.000 2.737 548 T HA -0.108 4.244 4.350 0.003 0.000 0.265 548 T C 1.945 175.981 174.700 -1.106 0.000 1.038 548 T CA 1.029 62.673 62.100 -0.760 0.000 1.144 548 T CB -0.218 68.182 68.868 -0.781 0.000 0.866 548 T HN 0.090 nan 8.240 nan 0.000 0.434 549 I N 1.103 121.159 120.570 -0.857 0.000 2.194 549 I HA -0.153 4.019 4.170 0.003 0.000 0.246 549 I C 2.216 178.056 176.117 -0.462 0.000 1.093 549 I CA 1.236 62.190 61.300 -0.577 0.000 1.355 549 I CB -0.564 37.215 38.000 -0.368 0.000 1.046 549 I HN 0.199 nan 8.210 nan 0.000 0.413 550 L N -0.699 120.144 121.223 -0.633 0.000 2.093 550 L HA -0.209 4.133 4.340 0.003 0.000 0.208 550 L C 2.662 179.399 176.870 -0.221 0.000 1.085 550 L CA 0.995 55.579 54.840 -0.426 0.000 0.755 550 L CB -0.569 41.222 42.059 -0.446 0.000 0.904 550 L HN 0.300 nan 8.230 nan 0.000 0.435 551 Q N -0.436 119.203 119.800 -0.268 0.000 1.975 551 Q HA -0.237 4.105 4.340 0.003 0.000 0.205 551 Q C 2.078 178.124 176.000 0.077 0.000 0.990 551 Q CA 1.913 57.645 55.803 -0.118 0.000 0.845 551 Q CB -0.558 28.072 28.738 -0.180 0.000 0.913 551 Q HN 0.500 nan 8.270 nan 0.000 0.420 552 W N 0.432 121.682 121.300 -0.083 0.000 2.302 552 W HA -0.238 4.423 4.660 0.003 0.000 0.320 552 W C 2.658 179.138 176.519 -0.064 0.000 1.241 552 W CA 0.414 57.718 57.345 -0.068 0.000 1.264 552 W CB -1.821 27.599 29.460 -0.067 0.000 1.154 552 W HN 0.231 nan 8.180 nan 0.000 0.483 553 C N -0.302 119.089 119.300 0.152 0.000 2.401 553 C HA -0.242 4.220 4.460 0.003 0.000 0.276 553 C C 2.557 177.579 174.990 0.053 0.000 1.233 553 C CA 1.310 60.373 59.018 0.074 0.000 1.753 553 C CB -1.395 26.360 27.740 0.024 0.000 2.029 553 C HN 0.438 nan 8.230 nan 0.000 0.478 554 Q N 0.199 120.022 119.800 0.038 0.000 2.234 554 Q HA -0.211 4.131 4.340 0.003 0.000 0.206 554 Q C 1.816 177.842 176.000 0.043 0.000 0.980 554 Q CA 1.396 57.219 55.803 0.032 0.000 0.869 554 Q CB -0.269 28.478 28.738 0.015 0.000 0.912 554 Q HN 0.750 nan 8.270 nan 0.000 0.436 555 E N -0.350 119.889 120.200 0.065 0.000 2.442 555 E HA -0.008 4.344 4.350 0.003 0.000 0.195 555 E C 1.556 178.171 176.600 0.025 0.000 1.030 555 E CA 0.489 56.918 56.400 0.048 0.000 0.869 555 E CB 0.295 30.034 29.700 0.065 0.000 0.857 555 E HN 0.431 nan 8.360 nan 0.000 0.505 556 M N -0.431 119.184 119.600 0.024 0.000 2.338 556 M HA 0.230 4.712 4.480 0.003 0.000 0.276 556 M C 0.638 176.941 176.300 0.006 0.000 1.057 556 M CA -0.142 55.160 55.300 0.002 0.000 1.079 556 M CB 0.225 32.813 32.600 -0.020 0.000 1.547 556 M HN -0.239 nan 8.290 nan 0.000 0.549 557 K N 2.362 122.774 120.400 0.019 0.000 2.527 557 K HA -0.026 4.296 4.320 0.003 0.000 0.278 557 K C 1.028 177.659 176.600 0.052 0.000 0.981 557 K CA 0.400 56.704 56.287 0.028 0.000 1.009 557 K CB 1.103 33.626 32.500 0.039 0.000 0.895 557 K HN 0.204 nan 8.250 nan 0.000 0.493 558 R N 3.551 124.107 120.500 0.093 0.000 2.084 558 R HA 0.142 4.483 4.340 0.003 0.000 0.209 558 R C 0.231 176.603 176.300 0.119 0.000 1.173 558 R CA 0.024 56.202 56.100 0.131 0.000 1.053 558 R CB 0.026 30.474 30.300 0.247 0.000 0.948 558 R HN 0.545 nan 8.270 nan 0.000 0.460 559 L N 1.828 123.146 121.223 0.158 0.000 2.525 559 L HA 0.057 4.399 4.340 0.003 0.000 0.278 559 L C 0.752 177.694 176.870 0.121 0.000 1.218 559 L CA 0.028 54.951 54.840 0.139 0.000 0.878 559 L CB 0.631 42.781 42.059 0.152 0.000 1.127 559 L HN 0.296 nan 8.230 nan 0.000 0.492 560 G N 2.633 111.520 108.800 0.146 0.000 2.444 560 G HA2 0.449 4.411 3.960 0.003 0.000 0.268 560 G HA3 0.449 4.411 3.960 0.003 0.000 0.268 560 G C -0.695 174.290 174.900 0.143 0.000 1.203 560 G CA -0.429 44.744 45.100 0.121 0.000 0.835 560 G HN 0.356 nan 8.290 nan 0.000 0.543 561 V N 2.894 122.859 119.914 0.084 0.000 2.334 561 V HA 0.412 4.534 4.120 0.003 0.000 0.281 561 V C 0.431 176.549 176.094 0.040 0.000 1.016 561 V CA -0.581 61.771 62.300 0.086 0.000 0.832 561 V CB 0.912 32.771 31.823 0.061 0.000 0.999 561 V HN 0.779 nan 8.190 nan 0.000 0.439 562 R N 1.899 122.432 120.500 0.054 0.000 2.797 562 R HA 0.734 5.075 4.340 0.003 0.000 0.251 562 R C -0.222 176.091 176.300 0.021 0.000 1.107 562 R CA -0.578 55.507 56.100 -0.024 0.000 1.084 562 R CB 1.704 31.901 30.300 -0.172 0.000 1.205 562 R HN 0.612 nan 8.270 nan 0.000 0.515 563 T N -0.129 114.423 114.554 -0.003 0.000 2.885 563 T HA 0.298 4.649 4.350 0.003 0.000 0.285 563 T C -0.854 173.862 174.700 0.028 0.000 1.019 563 T CA -0.769 61.334 62.100 0.004 0.000 1.010 563 T CB 0.704 69.552 68.868 -0.033 0.000 1.022 563 T HN 0.485 nan 8.240 nan 0.000 0.466 564 N N 2.326 121.049 118.700 0.038 0.000 2.439 564 N HA 0.545 5.287 4.740 0.003 0.000 0.243 564 N C -0.937 174.589 175.510 0.027 0.000 1.088 564 N CA -0.485 52.596 53.050 0.053 0.000 0.940 564 N CB 0.778 39.307 38.487 0.070 0.000 1.180 564 N HN 0.641 nan 8.380 nan 0.000 0.505 565 A N 1.895 124.730 122.820 0.025 0.000 2.532 565 A HA 0.302 4.624 4.320 0.003 0.000 0.296 565 A C -0.992 176.592 177.584 0.001 0.000 1.058 565 A CA -0.871 51.167 52.037 0.002 0.000 0.729 565 A CB 0.967 19.957 19.000 -0.016 0.000 1.285 565 A HN 0.646 nan 8.150 nan 0.000 0.396 566 D N 0.398 120.771 120.400 -0.045 0.000 2.469 566 D HA 0.201 4.843 4.640 0.003 0.000 0.213 566 D C 0.296 176.477 176.300 -0.198 0.000 1.135 566 D CA 0.421 54.367 54.000 -0.090 0.000 0.834 566 D CB 0.384 41.111 40.800 -0.122 0.000 1.009 566 D HN 0.325 nan 8.370 nan 0.000 0.507 567 T N 1.571 116.035 114.554 -0.150 0.000 2.829 567 T HA 0.289 4.641 4.350 0.003 0.000 0.282 567 T C -1.963 172.712 174.700 -0.042 0.000 0.990 567 T CA -1.529 60.505 62.100 -0.111 0.000 1.028 567 T CB 2.253 71.065 68.868 -0.093 0.000 0.951 567 T HN -0.245 nan 8.240 nan 0.000 0.460 568 P HA -0.064 nan 4.420 nan 0.000 0.219 568 P C 1.380 178.678 177.300 -0.002 0.000 1.146 568 P CA 0.601 63.700 63.100 -0.001 0.000 0.808 568 P CB 0.035 31.738 31.700 0.006 0.000 0.779 569 A N -0.349 122.468 122.820 -0.006 0.000 1.972 569 A HA -0.206 4.116 4.320 0.003 0.000 0.219 569 A C 2.033 179.621 177.584 0.007 0.000 1.169 569 A CA 1.983 54.023 52.037 0.004 0.000 0.635 569 A CB -1.164 17.839 19.000 0.006 0.000 0.810 569 A HN 0.077 nan 8.150 nan 0.000 0.446 570 D N -1.032 119.364 120.400 -0.007 0.000 2.327 570 D HA 0.239 4.881 4.640 0.003 0.000 0.205 570 D C 2.135 178.418 176.300 -0.028 0.000 0.989 570 D CA 0.946 54.936 54.000 -0.017 0.000 0.873 570 D CB 0.049 40.836 40.800 -0.021 0.000 0.955 570 D HN 0.359 nan 8.370 nan 0.000 0.515 571 A N 0.965 123.777 122.820 -0.014 0.000 1.841 571 A HA 0.025 4.347 4.320 0.003 0.000 0.214 571 A C 2.252 179.837 177.584 0.001 0.000 1.195 571 A CA 1.942 53.975 52.037 -0.006 0.000 0.611 571 A CB -0.702 18.301 19.000 0.005 0.000 0.835 571 A HN 0.194 nan 8.150 nan 0.000 0.443 572 A N -0.688 122.136 122.820 0.006 0.000 2.014 572 A HA -0.048 4.274 4.320 0.003 0.000 0.218 572 A C 2.021 179.620 177.584 0.026 0.000 1.163 572 A CA 2.171 54.215 52.037 0.012 0.000 0.652 572 A CB -0.349 18.654 19.000 0.006 0.000 0.808 572 A HN 0.427 nan 8.150 nan 0.000 0.449 573 K N 0.557 120.976 120.400 0.031 0.000 1.991 573 K HA -0.046 4.276 4.320 0.003 0.000 0.212 573 K C 2.046 178.778 176.600 0.221 0.000 1.049 573 K CA 1.885 58.221 56.287 0.083 0.000 0.932 573 K CB -0.696 31.816 32.500 0.021 0.000 0.717 573 K HN 0.307 nan 8.250 nan 0.000 0.441 574 A N 0.816 123.671 122.820 0.058 0.000 1.902 574 A HA -0.179 4.143 4.320 0.003 0.000 0.217 574 A C 2.238 179.918 177.584 0.160 0.000 1.181 574 A CA 1.918 53.970 52.037 0.025 0.000 0.623 574 A CB -0.666 18.267 19.000 -0.113 0.000 0.818 574 A HN 0.447 nan 8.150 nan 0.000 0.443 575 R N 0.606 121.157 120.500 0.085 0.000 2.096 575 R HA -0.158 4.184 4.340 0.003 0.000 0.240 575 R C 2.055 178.401 176.300 0.076 0.000 1.139 575 R CA 2.170 58.306 56.100 0.060 0.000 0.952 575 R CB -0.424 29.890 30.300 0.022 0.000 0.854 575 R HN 0.568 nan 8.270 nan 0.000 0.436 576 S N -0.716 115.020 115.700 0.060 0.000 2.727 576 S HA -0.008 4.464 4.470 0.003 0.000 0.226 576 S C 0.764 175.267 174.600 -0.162 0.000 0.963 576 S CA 0.031 58.199 58.200 -0.054 0.000 0.950 576 S CB -0.311 62.815 63.200 -0.123 0.000 0.779 576 S HN 0.412 nan 8.310 nan 0.000 0.532 577 F N 1.131 121.052 119.950 -0.048 0.000 2.664 577 F HA 0.444 4.973 4.527 0.004 0.000 0.303 577 F C 1.726 177.507 175.800 -0.031 0.000 1.092 577 F CA -0.118 57.865 58.000 -0.028 0.000 1.305 577 F CB 0.308 39.293 39.000 -0.025 0.000 1.054 577 F HN 0.369 nan 8.300 nan 0.000 0.565 578 G N 1.030 109.901 108.800 0.119 0.000 2.137 578 G HA2 -0.137 3.825 3.960 0.003 0.000 0.237 578 G HA3 -0.137 3.825 3.960 0.003 0.000 0.237 578 G C 0.285 175.216 174.900 0.051 0.000 1.002 578 G CA -0.209 44.925 45.100 0.056 0.000 0.702 578 G HN 0.614 nan 8.290 nan 0.000 0.515 579 A N -0.200 122.658 122.820 0.064 0.000 2.425 579 A HA 0.602 4.924 4.320 0.003 0.000 0.242 579 A C 0.943 178.528 177.584 0.001 0.000 1.077 579 A CA 0.816 52.868 52.037 0.025 0.000 0.781 579 A CB 0.238 19.244 19.000 0.011 0.000 1.020 579 A HN 0.687 nan 8.150 nan 0.000 0.494 580 E N 0.972 121.159 120.200 -0.022 0.000 2.569 580 E HA 0.454 4.806 4.350 0.003 0.000 0.205 580 E C 0.455 177.006 176.600 -0.081 0.000 1.006 580 E CA 0.270 56.645 56.400 -0.042 0.000 0.985 580 E CB 0.233 29.909 29.700 -0.040 0.000 1.060 580 E HN 1.170 nan 8.360 nan 0.000 0.460 581 G N 0.600 109.353 108.800 -0.079 0.000 2.361 581 G HA2 0.086 4.048 3.960 0.003 0.000 0.331 581 G HA3 0.086 4.048 3.960 0.003 0.000 0.331 581 G C -1.184 173.657 174.900 -0.098 0.000 1.324 581 G CA -0.542 44.496 45.100 -0.103 0.000 0.984 581 G HN 0.385 nan 8.290 nan 0.000 0.586 582 V N -1.188 118.671 119.914 -0.092 0.000 2.459 582 V HA 0.862 4.984 4.120 0.003 0.000 0.295 582 V C 1.075 177.127 176.094 -0.070 0.000 1.029 582 V CA 0.639 62.909 62.300 -0.050 0.000 0.874 582 V CB 1.244 33.066 31.823 -0.001 0.000 0.985 582 V HN 2.036 nan 8.190 nan 0.000 0.438 583 G N 3.504 112.309 108.800 0.009 0.000 2.744 583 G HA2 0.297 4.259 3.960 0.003 0.000 0.211 583 G HA3 0.297 4.259 3.960 0.003 0.000 0.211 583 G C -0.027 174.973 174.900 0.168 0.000 1.146 583 G CA 0.433 45.617 45.100 0.139 0.000 0.787 583 G HN 0.757 nan 8.290 nan 0.000 0.534 584 L N 0.495 121.792 121.223 0.123 0.000 2.555 584 L HA 0.526 4.868 4.340 0.003 0.000 0.264 584 L C -1.281 175.654 176.870 0.109 0.000 0.972 584 L CA -1.193 53.725 54.840 0.131 0.000 0.876 584 L CB 1.435 43.578 42.059 0.140 0.000 1.216 584 L HN -0.065 nan 8.230 nan 0.000 0.415 585 C N 6.291 125.665 119.300 0.123 0.000 2.294 585 C HA 0.708 5.170 4.460 0.003 0.000 0.319 585 C C 0.197 175.295 174.990 0.180 0.000 1.164 585 C CA -0.644 58.457 59.018 0.138 0.000 1.497 585 C CB -0.207 27.625 27.740 0.154 0.000 2.061 585 C HN 0.872 nan 8.230 nan 0.000 0.438 586 R N 4.011 124.617 120.500 0.177 0.000 2.308 586 R HA 0.424 4.766 4.340 0.003 0.000 0.305 586 R C 0.511 176.980 176.300 0.281 0.000 1.053 586 R CA -0.259 55.966 56.100 0.209 0.000 0.957 586 R CB 0.254 30.663 30.300 0.181 0.000 1.022 586 R HN 0.611 nan 8.270 nan 0.000 0.461 587 T N 1.509 116.217 114.554 0.256 0.000 3.107 587 T HA 0.001 4.353 4.350 0.003 0.000 0.249 587 T C 0.737 175.579 174.700 0.236 0.000 1.096 587 T CA 0.218 62.438 62.100 0.201 0.000 1.012 587 T CB -0.027 68.993 68.868 0.254 0.000 0.977 587 T HN 0.575 nan 8.240 nan 0.000 0.527 588 E N 1.669 122.071 120.200 0.338 0.000 2.058 588 E HA -0.196 4.156 4.350 0.003 0.000 0.194 588 E C 2.046 178.878 176.600 0.388 0.000 0.997 588 E CA 1.301 57.971 56.400 0.450 0.000 0.801 588 E CB -0.465 29.431 29.700 0.326 0.000 0.746 588 E HN 0.714 nan 8.360 nan 0.000 0.450 589 H N 0.949 120.151 119.070 0.220 0.000 2.460 589 H HA -0.134 4.424 4.556 0.002 0.000 0.297 589 H C 1.074 176.460 175.328 0.096 0.000 1.103 589 H CA 1.489 57.640 56.048 0.173 0.000 1.292 589 H CB -0.423 29.389 29.762 0.083 0.000 1.376 589 H HN 0.263 nan 8.280 nan 0.000 0.531 590 M N -1.403 117.772 119.600 -0.707 0.000 2.719 590 M HA 0.251 4.733 4.480 0.003 0.000 0.247 590 M C -0.082 175.893 176.300 -0.540 0.000 1.287 590 M CA 0.222 55.120 55.300 -0.669 0.000 1.004 590 M CB -0.203 31.871 32.600 -0.878 0.000 1.514 590 M HN 0.046 nan 8.290 nan 0.000 0.462 591 F N -1.575 118.400 119.950 0.042 0.000 2.856 591 F HA 0.252 4.783 4.527 0.006 0.000 0.338 591 F C 1.191 177.177 175.800 0.310 0.000 1.005 591 F CA -0.502 57.592 58.000 0.156 0.000 1.155 591 F CB 0.570 39.709 39.000 0.232 0.000 1.010 591 F HN 0.141 nan 8.300 nan 0.000 0.587 592 F N 2.029 122.130 119.950 0.252 0.000 2.506 592 F HA 0.261 4.794 4.527 0.011 0.000 0.215 592 F C 0.604 176.432 175.800 0.047 0.000 1.168 592 F CA -0.417 57.677 58.000 0.156 0.000 0.942 592 F CB -1.039 38.018 39.000 0.094 0.000 1.083 592 F HN -0.048 nan 8.300 nan 0.000 0.661 593 E N 1.811 121.667 120.200 -0.574 0.000 2.966 593 E HA 0.326 4.677 4.350 0.003 0.000 0.254 593 E C 0.322 176.758 176.600 -0.273 0.000 0.923 593 E CA 0.724 56.752 56.400 -0.620 0.000 0.960 593 E CB -0.618 28.802 29.700 -0.466 0.000 0.901 593 E HN 0.887 nan 8.360 nan 0.000 0.525 594 G N 2.409 111.060 108.800 -0.247 0.000 2.512 594 G HA2 -0.355 3.607 3.960 0.003 0.000 0.210 594 G HA3 -0.355 3.607 3.960 0.003 0.000 0.210 594 G C 0.635 175.432 174.900 -0.172 0.000 1.295 594 G CA 0.104 45.108 45.100 -0.160 0.000 0.934 594 G HN 0.841 nan 8.290 nan 0.000 0.554 595 S N 0.482 116.093 115.700 -0.149 0.000 2.387 595 S HA -0.237 4.235 4.470 0.003 0.000 0.230 595 S C 2.549 176.791 174.600 -0.596 0.000 1.035 595 S CA 2.471 60.529 58.200 -0.237 0.000 1.014 595 S CB -0.482 62.722 63.200 0.005 0.000 0.836 595 S HN 0.985 nan 8.310 nan 0.000 0.466 596 R N 0.576 120.885 120.500 -0.318 0.000 2.091 596 R HA -0.102 4.240 4.340 0.003 0.000 0.238 596 R C 2.279 178.422 176.300 -0.262 0.000 1.136 596 R CA 1.679 57.625 56.100 -0.256 0.000 0.959 596 R CB -1.283 28.978 30.300 -0.066 0.000 0.856 596 R HN 0.531 nan 8.270 nan 0.000 0.437 597 I N 2.834 123.333 120.570 -0.119 0.000 2.185 597 I HA -0.322 3.849 4.170 0.003 0.000 0.246 597 I C 1.429 177.510 176.117 -0.060 0.000 1.088 597 I CA 1.629 62.970 61.300 0.068 0.000 1.347 597 I CB -0.416 37.692 38.000 0.179 0.000 1.041 597 I HN 0.161 nan 8.210 nan 0.000 0.415 598 N N 0.517 119.027 118.700 -0.317 0.000 2.084 598 N HA -0.184 4.558 4.740 0.003 0.000 0.190 598 N C 1.682 177.172 175.510 -0.033 0.000 1.030 598 N CA 1.813 54.723 53.050 -0.234 0.000 0.849 598 N CB -0.603 37.695 38.487 -0.315 0.000 1.012 598 N HN 0.418 nan 8.380 nan 0.000 0.423 599 F N 0.725 120.711 119.950 0.061 0.000 2.615 599 F HA 0.218 4.748 4.527 0.004 0.000 0.297 599 F C 2.172 177.994 175.800 0.036 0.000 1.124 599 F CA -0.554 57.471 58.000 0.042 0.000 1.451 599 F CB -1.062 37.963 39.000 0.040 0.000 1.103 599 F HN -0.001 nan 8.300 nan 0.000 0.569 600 I N 0.272 120.931 120.570 0.148 0.000 2.333 600 I HA -0.124 4.047 4.170 0.003 0.000 0.246 600 I C 2.467 178.571 176.117 -0.023 0.000 1.106 600 I CA 1.212 62.526 61.300 0.024 0.000 1.411 600 I CB -0.227 37.727 38.000 -0.076 0.000 1.082 600 I HN -0.099 nan 8.210 nan 0.000 0.420 601 R N 0.739 121.256 120.500 0.029 0.000 2.170 601 R HA -0.248 4.094 4.340 0.003 0.000 0.242 601 R C 2.228 178.549 176.300 0.036 0.000 1.145 601 R CA 1.951 58.072 56.100 0.035 0.000 0.984 601 R CB -0.385 29.950 30.300 0.060 0.000 0.869 601 R HN 0.657 nan 8.270 nan 0.000 0.455 602 E N 0.361 120.603 120.200 0.069 0.000 2.076 602 E HA -0.183 4.169 4.350 0.003 0.000 0.190 602 E C 2.014 178.622 176.600 0.014 0.000 0.979 602 E CA 0.692 57.130 56.400 0.064 0.000 0.807 602 E CB -0.009 29.759 29.700 0.112 0.000 0.761 602 E HN 0.203 nan 8.360 nan 0.000 0.454 603 M N 1.875 121.469 119.600 -0.010 0.000 2.059 603 M HA -0.157 4.325 4.480 0.003 0.000 0.259 603 M C 2.582 178.802 176.300 -0.133 0.000 1.072 603 M CA 1.831 57.089 55.300 -0.069 0.000 1.117 603 M CB -0.541 32.005 32.600 -0.092 0.000 1.320 603 M HN 0.407 nan 8.290 nan 0.000 0.408 604 I N 0.376 120.844 120.570 -0.170 0.000 2.381 604 I HA -0.281 3.891 4.170 0.003 0.000 0.255 604 I C 2.077 178.126 176.117 -0.114 0.000 1.140 604 I CA 1.699 62.878 61.300 -0.203 0.000 1.404 604 I CB -0.596 37.301 38.000 -0.172 0.000 1.075 604 I HN 0.466 nan 8.210 nan 0.000 0.433 605 L N 2.699 123.889 121.223 -0.054 0.000 2.102 605 L HA 0.367 4.708 4.340 0.003 0.000 0.202 605 L C 1.810 178.674 176.870 -0.011 0.000 1.076 605 L CA 1.227 56.060 54.840 -0.012 0.000 0.761 605 L CB -1.197 40.874 42.059 0.019 0.000 0.921 605 L HN 0.159 nan 8.230 nan 0.000 0.444 606 A N 2.495 125.305 122.820 -0.017 0.000 2.488 606 A HA -0.115 4.207 4.320 0.003 0.000 0.285 606 A C 0.158 177.743 177.584 0.002 0.000 1.059 606 A CA 0.642 52.676 52.037 -0.006 0.000 0.977 606 A CB -1.611 17.381 19.000 -0.013 0.000 0.908 606 A HN 0.658 nan 8.150 nan 0.000 0.514 607 D N 2.025 122.435 120.400 0.016 0.000 2.598 607 D HA 0.210 4.852 4.640 0.003 0.000 0.231 607 D C -0.110 176.208 176.300 0.030 0.000 1.127 607 D CA 0.848 54.864 54.000 0.028 0.000 1.126 607 D CB -0.317 40.499 40.800 0.028 0.000 1.124 607 D HN 0.449 nan 8.370 nan 0.000 0.485 608 S N -0.630 115.090 115.700 0.034 0.000 2.720 608 S HA 0.366 4.838 4.470 0.003 0.000 0.318 608 S C 0.231 174.854 174.600 0.040 0.000 0.872 608 S CA -0.151 58.070 58.200 0.035 0.000 0.794 608 S CB 0.432 63.647 63.200 0.024 0.000 1.009 608 S HN 0.332 nan 8.310 nan 0.000 0.491 609 A N 3.609 126.462 122.820 0.055 0.000 1.897 609 A HA 0.122 4.444 4.320 0.003 0.000 0.215 609 A C 2.133 179.742 177.584 0.040 0.000 1.181 609 A CA 2.004 54.080 52.037 0.065 0.000 0.620 609 A CB -0.997 18.051 19.000 0.080 0.000 0.821 609 A HN 1.111 nan 8.150 nan 0.000 0.443 610 S N -0.139 115.579 115.700 0.031 0.000 2.442 610 S HA -0.024 4.448 4.470 0.003 0.000 0.236 610 S C 1.884 176.494 174.600 0.017 0.000 1.007 610 S CA 0.856 59.069 58.200 0.022 0.000 0.965 610 S CB -0.430 62.781 63.200 0.018 0.000 0.773 610 S HN 0.761 nan 8.310 nan 0.000 0.504 611 G N 2.138 110.948 108.800 0.017 0.000 2.505 611 G HA2 -0.173 3.789 3.960 0.003 0.000 0.214 611 G HA3 -0.173 3.789 3.960 0.003 0.000 0.214 611 G C 1.354 176.257 174.900 0.006 0.000 1.237 611 G CA 0.359 45.465 45.100 0.010 0.000 0.802 611 G HN 0.387 nan 8.290 nan 0.000 0.549 612 R N 0.340 120.840 120.500 -0.000 0.000 2.140 612 R HA -0.171 4.171 4.340 0.003 0.000 0.250 612 R C 2.459 178.761 176.300 0.003 0.000 1.150 612 R CA 1.619 57.712 56.100 -0.011 0.000 0.966 612 R CB -0.276 30.001 30.300 -0.039 0.000 0.869 612 R HN 0.291 nan 8.270 nan 0.000 0.445 613 K N 0.781 121.189 120.400 0.013 0.000 2.228 613 K HA -0.198 4.124 4.320 0.003 0.000 0.205 613 K C 1.740 178.349 176.600 0.015 0.000 1.045 613 K CA 1.802 58.100 56.287 0.019 0.000 0.931 613 K CB -0.225 32.288 32.500 0.021 0.000 0.727 613 K HN 0.275 nan 8.250 nan 0.000 0.458 614 A N -0.046 122.779 122.820 0.007 0.000 1.903 614 A HA 0.208 4.530 4.320 0.003 0.000 0.213 614 A C 2.251 179.834 177.584 -0.002 0.000 1.185 614 A CA 1.103 53.140 52.037 -0.001 0.000 0.628 614 A CB -0.775 18.221 19.000 -0.006 0.000 0.830 614 A HN 0.356 nan 8.150 nan 0.000 0.446 615 A N -0.578 122.245 122.820 0.005 0.000 2.234 615 A HA 0.066 4.388 4.320 0.003 0.000 0.216 615 A C 1.980 179.591 177.584 0.044 0.000 1.167 615 A CA 1.155 53.203 52.037 0.019 0.000 0.698 615 A CB -0.453 18.560 19.000 0.021 0.000 0.779 615 A HN 0.488 nan 8.150 nan 0.000 0.475 616 L N -1.033 120.213 121.223 0.038 0.000 2.187 616 L HA -0.020 4.322 4.340 0.003 0.000 0.197 616 L C 1.535 178.436 176.870 0.052 0.000 1.090 616 L CA 0.854 55.731 54.840 0.062 0.000 0.781 616 L CB -0.525 41.568 42.059 0.058 0.000 0.956 616 L HN 0.242 nan 8.230 nan 0.000 0.463 617 D N 0.285 120.701 120.400 0.028 0.000 2.389 617 D HA -0.201 4.441 4.640 0.003 0.000 0.221 617 D C 1.719 178.019 176.300 -0.000 0.000 0.974 617 D CA 0.800 54.809 54.000 0.015 0.000 0.923 617 D CB -0.070 40.733 40.800 0.005 0.000 0.892 617 D HN 0.229 nan 8.370 nan 0.000 0.518 618 K N 0.602 120.997 120.400 -0.008 0.000 1.978 618 K HA -0.050 4.272 4.320 0.003 0.000 0.214 618 K C 1.936 178.544 176.600 0.013 0.000 1.049 618 K CA 0.847 57.108 56.287 -0.044 0.000 0.939 618 K CB -0.159 32.301 32.500 -0.066 0.000 0.721 618 K HN 0.077 nan 8.250 nan 0.000 0.441 619 L N 1.500 122.769 121.223 0.076 0.000 2.552 619 L HA -0.044 4.298 4.340 0.003 0.000 0.227 619 L C 1.994 178.894 176.870 0.049 0.000 1.146 619 L CA -0.131 54.768 54.840 0.097 0.000 0.858 619 L CB -0.299 41.847 42.059 0.144 0.000 0.969 619 L HN 0.334 nan 8.230 nan 0.000 0.451 620 L N 1.423 122.673 121.223 0.046 0.000 1.991 620 L HA -0.178 4.163 4.340 0.003 0.000 0.221 620 L C -0.839 176.053 176.870 0.036 0.000 1.079 620 L CA 2.452 57.316 54.840 0.041 0.000 0.778 620 L CB -1.996 40.081 42.059 0.030 0.000 0.893 620 L HN 0.109 nan 8.230 nan 0.000 0.437 621 P HA 0.099 nan 4.420 nan 0.000 0.234 621 P C 2.161 179.468 177.300 0.013 0.000 1.175 621 P CA 0.901 64.014 63.100 0.022 0.000 0.801 621 P CB 0.026 31.734 31.700 0.013 0.000 0.891 622 I N -0.474 120.101 120.570 0.009 0.000 2.286 622 I HA -0.253 3.918 4.170 0.003 0.000 0.248 622 I C 2.368 178.439 176.117 -0.078 0.000 1.115 622 I CA 1.573 62.865 61.300 -0.013 0.000 1.392 622 I CB -0.318 37.692 38.000 0.017 0.000 1.065 622 I HN 0.050 nan 8.210 nan 0.000 0.418 623 Q N 0.052 119.799 119.800 -0.089 0.000 2.063 623 Q HA -0.124 4.218 4.340 0.003 0.000 0.194 623 Q C 2.265 178.262 176.000 -0.005 0.000 0.974 623 Q CA 0.562 56.265 55.803 -0.167 0.000 0.827 623 Q CB -0.271 28.378 28.738 -0.148 0.000 0.902 623 Q HN 0.316 nan 8.270 nan 0.000 0.462 624 R N 0.806 121.391 120.500 0.143 0.000 2.196 624 R HA -0.287 4.055 4.340 0.003 0.000 0.259 624 R C 2.040 178.423 176.300 0.138 0.000 1.154 624 R CA 1.797 58.016 56.100 0.198 0.000 0.976 624 R CB -0.322 30.037 30.300 0.099 0.000 0.888 624 R HN 0.284 nan 8.270 nan 0.000 0.453 625 A N 0.521 123.369 122.820 0.046 0.000 1.898 625 A HA -0.138 4.183 4.320 0.003 0.000 0.216 625 A C 1.618 179.194 177.584 -0.012 0.000 1.181 625 A CA 1.704 53.752 52.037 0.019 0.000 0.620 625 A CB -0.386 18.613 19.000 -0.001 0.000 0.819 625 A HN 0.404 nan 8.150 nan 0.000 0.442 626 D N -1.325 119.012 120.400 -0.104 0.000 2.350 626 D HA -0.037 4.605 4.640 0.003 0.000 0.216 626 D C 1.237 177.412 176.300 -0.208 0.000 0.968 626 D CA 0.774 54.660 54.000 -0.190 0.000 0.894 626 D CB -0.248 40.343 40.800 -0.349 0.000 0.909 626 D HN 0.600 nan 8.370 nan 0.000 0.520 627 F N -0.275 119.672 119.950 -0.005 0.000 2.374 627 F HA -0.072 4.457 4.527 0.002 0.000 0.291 627 F C 2.273 178.078 175.800 0.008 0.000 1.084 627 F CA 0.010 58.011 58.000 0.003 0.000 1.413 627 F CB 0.150 39.144 39.000 -0.011 0.000 1.099 627 F HN -0.149 nan 8.300 nan 0.000 0.534 628 V N -1.113 118.909 119.914 0.181 0.000 2.407 628 V HA -0.160 3.962 4.120 0.003 0.000 0.248 628 V C 2.556 178.696 176.094 0.077 0.000 1.055 628 V CA 1.812 64.175 62.300 0.105 0.000 1.049 628 V CB -1.897 29.967 31.823 0.068 0.000 0.662 628 V HN 0.380 nan 8.190 nan 0.000 0.455 629 G N 0.449 109.283 108.800 0.057 0.000 2.475 629 G HA2 -0.190 3.771 3.960 0.003 0.000 0.220 629 G HA3 -0.190 3.771 3.960 0.003 0.000 0.220 629 G C 1.472 176.397 174.900 0.041 0.000 1.125 629 G CA 1.329 46.448 45.100 0.032 0.000 0.755 629 G HN 0.456 nan 8.290 nan 0.000 0.565 630 I N -0.300 120.312 120.570 0.071 0.000 2.494 630 I HA 0.107 4.279 4.170 0.003 0.000 0.250 630 I C 2.473 178.643 176.117 0.087 0.000 1.112 630 I CA 0.401 61.752 61.300 0.085 0.000 1.438 630 I CB -0.742 37.340 38.000 0.137 0.000 1.111 630 I HN 0.055 nan 8.210 nan 0.000 0.431 631 L N 0.780 122.068 121.223 0.110 0.000 2.201 631 L HA -0.069 4.273 4.340 0.003 0.000 0.212 631 L C 2.620 179.520 176.870 0.050 0.000 1.105 631 L CA 1.426 56.313 54.840 0.079 0.000 0.775 631 L CB -0.839 41.268 42.059 0.081 0.000 0.913 631 L HN 0.149 nan 8.230 nan 0.000 0.440 632 R N -0.907 119.621 120.500 0.048 0.000 2.081 632 R HA -0.119 4.223 4.340 0.003 0.000 0.235 632 R C 2.194 178.508 176.300 0.023 0.000 1.131 632 R CA 1.275 57.394 56.100 0.031 0.000 0.960 632 R CB -0.625 29.692 30.300 0.028 0.000 0.856 632 R HN 0.387 nan 8.270 nan 0.000 0.436 633 A N 1.658 124.493 122.820 0.025 0.000 1.849 633 A HA -0.136 4.185 4.320 0.003 0.000 0.217 633 A C 1.351 178.943 177.584 0.013 0.000 1.202 633 A CA 1.339 53.386 52.037 0.017 0.000 0.629 633 A CB -0.248 18.763 19.000 0.018 0.000 0.834 633 A HN 0.123 nan 8.150 nan 0.000 0.447 634 M N 1.104 120.713 119.600 0.016 0.000 3.396 634 M HA 0.288 4.770 4.480 0.003 0.000 0.255 634 M C -0.365 175.939 176.300 0.006 0.000 1.398 634 M CA 0.053 55.357 55.300 0.006 0.000 1.554 634 M CB -0.593 32.007 32.600 -0.000 0.000 1.070 634 M HN 0.203 nan 8.290 nan 0.000 0.587 635 R N -0.001 120.503 120.500 0.006 0.000 2.298 635 R HA 0.462 4.804 4.340 0.003 0.000 0.310 635 R C 1.224 177.523 176.300 -0.001 0.000 1.068 635 R CA 0.706 56.810 56.100 0.006 0.000 0.957 635 R CB 0.659 30.963 30.300 0.007 0.000 1.003 635 R HN 0.901 nan 8.270 nan 0.000 0.454 636 G N 1.955 110.754 108.800 -0.002 0.000 2.253 636 G HA2 -0.257 3.705 3.960 0.003 0.000 0.251 636 G HA3 -0.257 3.705 3.960 0.003 0.000 0.251 636 G C -0.330 174.559 174.900 -0.018 0.000 0.998 636 G CA -0.235 44.860 45.100 -0.008 0.000 0.621 636 G HN 0.350 nan 8.290 nan 0.000 0.524 637 L N 2.297 123.507 121.223 -0.020 0.000 2.334 637 L HA 0.646 4.988 4.340 0.003 0.000 0.273 637 L C -1.820 175.023 176.870 -0.046 0.000 1.013 637 L CA -2.504 52.314 54.840 -0.038 0.000 0.816 637 L CB 1.436 43.472 42.059 -0.038 0.000 1.278 637 L HN -0.084 nan 8.230 nan 0.000 0.431 638 P HA 0.157 nan 4.420 nan 0.000 0.271 638 P C -1.055 176.184 177.300 -0.101 0.000 1.216 638 P CA -0.101 62.939 63.100 -0.100 0.000 0.776 638 P CB 1.144 32.745 31.700 -0.164 0.000 0.881 639 V N 3.421 123.289 119.914 -0.077 0.000 2.524 639 V HA 0.235 4.357 4.120 0.003 0.000 0.297 639 V C 0.023 176.088 176.094 -0.047 0.000 1.035 639 V CA -0.333 61.939 62.300 -0.046 0.000 0.867 639 V CB 2.127 33.955 31.823 0.009 0.000 1.004 639 V HN 0.512 nan 8.190 nan 0.000 0.426 640 T N 6.626 121.149 114.554 -0.052 0.000 2.799 640 T HA 0.691 5.043 4.350 0.003 0.000 0.286 640 T C -0.251 174.497 174.700 0.081 0.000 0.973 640 T CA -0.088 62.002 62.100 -0.016 0.000 1.035 640 T CB 0.822 69.665 68.868 -0.042 0.000 0.932 640 T HN 0.402 nan 8.240 nan 0.000 0.469 641 I N 2.923 123.561 120.570 0.114 0.000 2.418 641 I HA 0.406 4.578 4.170 0.003 0.000 0.287 641 I C 0.405 176.610 176.117 0.148 0.000 1.008 641 I CA -0.920 60.469 61.300 0.148 0.000 1.104 641 I CB 1.599 39.683 38.000 0.140 0.000 1.264 641 I HN 0.369 nan 8.210 nan 0.000 0.438 642 R N 7.896 128.489 120.500 0.155 0.000 2.220 642 R HA 0.419 4.761 4.340 0.003 0.000 0.340 642 R C -0.590 175.767 176.300 0.096 0.000 1.076 642 R CA -0.526 55.650 56.100 0.128 0.000 0.920 642 R CB 0.419 30.804 30.300 0.141 0.000 1.062 642 R HN 0.669 nan 8.270 nan 0.000 0.469 643 L N 3.394 124.609 121.223 -0.013 0.000 2.517 643 L HA -0.108 4.233 4.340 0.003 0.000 0.294 643 L C 0.916 177.787 176.870 0.001 0.000 1.264 643 L CA -0.213 54.545 54.840 -0.136 0.000 0.839 643 L CB -0.164 41.505 42.059 -0.650 0.000 1.098 643 L HN 0.557 nan 8.230 nan 0.000 0.525 644 L N 1.946 123.236 121.223 0.111 0.000 2.747 644 L HA -0.188 4.153 4.340 0.003 0.000 0.286 644 L C 0.995 177.997 176.870 0.220 0.000 1.216 644 L CA 0.918 55.898 54.840 0.234 0.000 0.930 644 L CB -0.127 42.057 42.059 0.208 0.000 1.216 644 L HN 0.629 nan 8.230 nan 0.000 0.486 645 D N 5.524 126.039 120.400 0.192 0.000 2.154 645 D HA 0.109 4.751 4.640 0.003 0.000 0.211 645 D C -1.904 174.482 176.300 0.143 0.000 0.977 645 D CA 0.684 54.782 54.000 0.164 0.000 0.869 645 D CB -0.465 40.419 40.800 0.139 0.000 1.022 645 D HN 0.510 nan 8.370 nan 0.000 0.461 646 P HA 0.335 nan 4.420 nan 0.000 0.284 646 P C -2.754 174.621 177.300 0.125 0.000 1.292 646 P CA -1.248 61.926 63.100 0.123 0.000 0.800 646 P CB 0.043 31.810 31.700 0.112 0.000 1.188 647 P HA 0.272 nan 4.420 nan 0.000 0.276 647 P C 0.726 178.144 177.300 0.197 0.000 1.244 647 P CA -0.267 62.895 63.100 0.104 0.000 0.801 647 P CB 0.375 32.135 31.700 0.100 0.000 1.006 648 L N 0.235 121.535 121.223 0.129 0.000 2.275 648 L HA -0.115 4.227 4.340 0.003 0.000 0.215 648 L C 2.067 179.110 176.870 0.289 0.000 1.119 648 L CA 1.223 56.153 54.840 0.150 0.000 0.790 648 L CB -1.055 40.986 42.059 -0.030 0.000 0.919 648 L HN 0.548 nan 8.230 nan 0.000 0.443 649 H N 0.583 119.729 119.070 0.127 0.000 2.563 649 H HA -0.055 4.507 4.556 0.010 0.000 0.272 649 H C 1.694 177.046 175.328 0.040 0.000 1.005 649 H CA 0.760 56.861 56.048 0.088 0.000 1.171 649 H CB 0.155 29.953 29.762 0.059 0.000 1.351 649 H HN 0.375 nan 8.280 nan 0.000 0.602 650 E N -0.793 119.398 120.200 -0.014 0.000 2.472 650 E HA 0.002 4.354 4.350 0.003 0.000 0.196 650 E C 0.097 176.377 176.600 -0.532 0.000 1.033 650 E CA -0.072 56.142 56.400 -0.310 0.000 0.886 650 E CB 0.349 29.804 29.700 -0.408 0.000 0.944 650 E HN 0.504 nan 8.360 nan 0.000 0.492 651 F N 0.741 120.576 119.950 -0.192 0.000 2.660 651 F HA 0.101 4.628 4.527 0.001 0.000 0.302 651 F C 0.566 176.296 175.800 -0.116 0.000 1.103 651 F CA -0.424 57.479 58.000 -0.162 0.000 1.340 651 F CB 0.619 39.548 39.000 -0.118 0.000 1.048 651 F HN -0.205 nan 8.300 nan 0.000 0.551 652 V N -3.212 116.676 119.914 -0.043 0.000 2.962 652 V HA 0.695 4.817 4.120 0.003 0.000 0.313 652 V C -2.351 173.689 176.094 -0.089 0.000 1.099 652 V CA -1.924 60.347 62.300 -0.047 0.000 0.971 652 V CB 1.643 33.440 31.823 -0.044 0.000 1.028 652 V HN -0.193 nan 8.190 nan 0.000 0.430 653 P HA 0.392 nan 4.420 nan 0.000 0.302 653 P C 0.242 177.627 177.300 0.142 0.000 1.393 653 P CA 1.153 64.300 63.100 0.078 0.000 0.818 653 P CB 0.134 31.890 31.700 0.095 0.000 1.974 654 H N -3.394 115.682 119.070 0.011 0.000 3.337 654 H HA 0.137 4.695 4.556 0.003 0.000 0.223 654 H C 0.126 175.479 175.328 0.041 0.000 1.033 654 H CA 0.681 56.746 56.048 0.029 0.000 1.027 654 H CB 0.176 29.955 29.762 0.027 0.000 1.113 654 H HN 0.369 nan 8.280 nan 0.000 0.709 655 D N 1.097 121.138 120.400 -0.599 0.000 1.943 655 D HA 0.082 4.724 4.640 0.003 0.000 0.555 655 D C 0.401 176.549 176.300 -0.253 0.000 0.861 655 D CA 0.590 54.220 54.000 -0.618 0.000 1.048 655 D CB 0.230 40.248 40.800 -1.304 0.000 1.518 655 D HN 0.327 nan 8.370 nan 0.000 0.494 656 A N 1.269 123.989 122.820 -0.168 0.000 2.624 656 A HA 0.381 4.702 4.320 0.003 0.000 0.231 656 A C 0.422 178.025 177.584 0.032 0.000 1.034 656 A CA 1.088 53.106 52.037 -0.032 0.000 0.754 656 A CB 0.045 19.050 19.000 0.009 0.000 0.953 656 A HN 0.426 nan 8.150 nan 0.000 0.509 657 A N 1.771 124.606 122.820 0.025 0.000 2.304 657 A HA 0.815 5.136 4.320 0.003 0.000 0.314 657 A C 0.650 178.147 177.584 -0.145 0.000 1.187 657 A CA 0.426 52.473 52.037 0.017 0.000 0.810 657 A CB 0.954 20.025 19.000 0.118 0.000 1.183 657 A HN 2.646 nan 8.150 nan 0.000 0.487 658 A N 1.609 124.217 122.820 -0.354 0.000 2.541 658 A HA -0.034 4.288 4.320 0.003 0.000 0.218 658 A C 1.476 178.874 177.584 -0.310 0.000 2.767 658 A CA 0.802 52.673 52.037 -0.277 0.000 1.578 658 A CB -1.077 17.847 19.000 -0.125 0.000 0.294 658 A HN 0.941 nan 8.150 nan 0.000 0.531 659 Q N 0.961 120.588 119.800 -0.287 0.000 2.013 659 Q HA 0.022 4.364 4.340 0.003 0.000 0.195 659 Q C 1.841 177.753 176.000 -0.147 0.000 0.974 659 Q CA 2.035 57.753 55.803 -0.140 0.000 0.826 659 Q CB -1.469 27.262 28.738 -0.012 0.000 0.895 659 Q HN 1.121 nan 8.270 nan 0.000 0.448 660 F N 2.836 122.795 119.950 0.015 0.000 2.408 660 F HA 0.019 4.547 4.527 0.002 0.000 0.300 660 F C 1.660 177.470 175.800 0.016 0.000 1.090 660 F CA 1.278 59.286 58.000 0.014 0.000 1.427 660 F CB -0.548 38.456 39.000 0.006 0.000 1.070 660 F HN 0.175 nan 8.300 nan 0.000 0.549 661 E N 1.239 121.138 120.200 -0.502 0.000 2.250 661 E HA -0.051 4.301 4.350 0.003 0.000 0.192 661 E C 2.116 178.665 176.600 -0.086 0.000 0.986 661 E CA 0.467 56.726 56.400 -0.235 0.000 0.849 661 E CB -0.999 28.444 29.700 -0.428 0.000 0.797 661 E HN 0.531 nan 8.360 nan 0.000 0.482 662 L N 1.288 122.456 121.223 -0.091 0.000 2.042 662 L HA -0.137 4.205 4.340 0.003 0.000 0.210 662 L C 1.175 178.055 176.870 0.018 0.000 1.076 662 L CA 1.075 55.904 54.840 -0.018 0.000 0.749 662 L CB -0.610 41.455 42.059 0.010 0.000 0.893 662 L HN 0.231 nan 8.230 nan 0.000 0.432 663 A N -0.801 122.042 122.820 0.039 0.000 6.604 663 A HA -0.275 4.046 4.320 0.003 0.000 0.340 663 A C 0.284 177.900 177.584 0.053 0.000 1.906 663 A CA 1.275 53.354 52.037 0.071 0.000 0.916 663 A CB -0.677 18.382 19.000 0.098 0.000 1.625 663 A HN 0.568 nan 8.150 nan 0.000 0.443 664 Q N 0.572 120.406 119.800 0.057 0.000 3.274 664 Q HA 0.721 5.063 4.340 0.003 0.000 0.240 664 Q C 0.442 176.466 176.000 0.040 0.000 1.075 664 Q CA -0.496 55.330 55.803 0.040 0.000 0.702 664 Q CB 0.426 29.184 28.738 0.033 0.000 3.188 664 Q HN 1.009 nan 8.270 nan 0.000 0.369 665 K N -0.050 120.369 120.400 0.031 0.000 2.273 665 K HA 0.325 4.647 4.320 0.003 0.000 0.240 665 K C -0.088 176.530 176.600 0.029 0.000 1.056 665 K CA -0.752 55.551 56.287 0.027 0.000 0.910 665 K CB 0.304 32.815 32.500 0.019 0.000 1.196 665 K HN 0.407 nan 8.250 nan 0.000 0.509 666 L N -0.459 120.778 121.223 0.023 0.000 2.472 666 L HA 0.287 4.629 4.340 0.003 0.000 0.260 666 L C 0.617 177.495 176.870 0.013 0.000 1.209 666 L CA 1.808 56.660 54.840 0.019 0.000 0.817 666 L CB 0.333 42.402 42.059 0.015 0.000 1.106 666 L HN 0.991 nan 8.230 nan 0.000 0.479 667 G N 3.203 112.007 108.800 0.005 0.000 2.288 667 G HA2 -0.092 3.870 3.960 0.003 0.000 0.205 667 G HA3 -0.092 3.870 3.960 0.003 0.000 0.205 667 G C -0.433 174.465 174.900 -0.003 0.000 1.071 667 G CA 0.096 45.196 45.100 -0.001 0.000 0.788 667 G HN 0.614 nan 8.290 nan 0.000 0.491 668 M N 0.281 119.875 119.600 -0.010 0.000 2.488 668 M HA 0.376 4.858 4.480 0.003 0.000 0.174 668 M C -2.681 173.588 176.300 -0.051 0.000 0.963 668 M CA -1.970 53.324 55.300 -0.010 0.000 0.900 668 M CB 1.039 33.656 32.600 0.028 0.000 2.927 668 M HN 0.192 nan 8.290 nan 0.000 0.394 669 P HA 0.724 nan 4.420 nan 0.000 0.349 669 P C -0.420 176.602 177.300 -0.464 0.000 1.165 669 P CA -0.352 62.549 63.100 -0.331 0.000 0.767 669 P CB 0.634 32.174 31.700 -0.268 0.000 1.623 670 A N -0.093 122.336 122.820 -0.653 0.000 2.359 670 A HA 0.110 4.432 4.320 0.003 0.000 0.240 670 A C 0.795 178.258 177.584 -0.201 0.000 1.306 670 A CA 0.156 51.889 52.037 -0.508 0.000 0.898 670 A CB -0.962 17.683 19.000 -0.593 0.000 0.956 670 A HN 0.516 nan 8.150 nan 0.000 0.497 671 E N -0.615 119.496 120.200 -0.149 0.000 2.810 671 E HA 0.096 4.448 4.350 0.003 0.000 0.214 671 E C 0.487 177.062 176.600 -0.042 0.000 0.980 671 E CA -0.122 56.234 56.400 -0.073 0.000 1.159 671 E CB -0.395 29.267 29.700 -0.062 0.000 1.047 671 E HN 0.380 nan 8.360 nan 0.000 0.484 672 K N 0.598 120.973 120.400 -0.043 0.000 2.374 672 K HA 0.197 4.519 4.320 0.003 0.000 0.196 672 K C 1.213 177.824 176.600 0.017 0.000 1.023 672 K CA 0.259 56.542 56.287 -0.006 0.000 1.103 672 K CB 0.516 33.016 32.500 -0.001 0.000 0.848 672 K HN -0.039 nan 8.250 nan 0.000 0.528 673 V N 0.885 120.805 119.914 0.010 0.000 2.300 673 V HA -0.062 4.060 4.120 0.003 0.000 0.241 673 V C 1.923 178.041 176.094 0.042 0.000 1.034 673 V CA 1.344 63.672 62.300 0.047 0.000 1.021 673 V CB -0.188 31.676 31.823 0.068 0.000 0.662 673 V HN 0.297 nan 8.190 nan 0.000 0.458 674 R N 1.182 121.694 120.500 0.019 0.000 2.237 674 R HA -0.117 4.225 4.340 0.003 0.000 0.219 674 R C 1.927 178.249 176.300 0.036 0.000 1.080 674 R CA 1.124 57.241 56.100 0.027 0.000 0.995 674 R CB -0.538 29.765 30.300 0.005 0.000 0.875 674 R HN 0.770 nan 8.270 nan 0.000 0.462 675 N N 2.056 120.774 118.700 0.030 0.000 2.024 675 N HA -0.255 4.487 4.740 0.003 0.000 0.189 675 N C 0.710 176.256 175.510 0.060 0.000 1.095 675 N CA 0.957 54.028 53.050 0.036 0.000 0.890 675 N CB -0.755 37.749 38.487 0.028 0.000 1.050 675 N HN -0.050 nan 8.380 nan 0.000 0.429 676 R N 0.304 120.843 120.500 0.064 0.000 3.072 676 R HA 0.114 4.456 4.340 0.003 0.000 0.220 676 R C 0.072 176.439 176.300 0.111 0.000 1.627 676 R CA 0.177 56.329 56.100 0.086 0.000 1.079 676 R CB -0.414 29.928 30.300 0.070 0.000 1.217 676 R HN 0.455 nan 8.270 nan 0.000 0.615 677 V N 2.397 122.399 119.914 0.146 0.000 3.506 677 V HA -0.041 4.081 4.120 0.003 0.000 0.192 677 V C 0.419 176.680 176.094 0.278 0.000 1.522 677 V CA 0.064 62.499 62.300 0.225 0.000 1.124 677 V CB 0.391 32.306 31.823 0.154 0.000 1.112 677 V HN 0.578 nan 8.190 nan 0.000 0.532 678 N N 1.033 119.825 118.700 0.154 0.000 2.412 678 N HA 0.263 5.005 4.740 0.003 0.000 0.184 678 N C 1.271 176.834 175.510 0.088 0.000 1.101 678 N CA 1.149 54.253 53.050 0.089 0.000 0.881 678 N CB 0.606 39.105 38.487 0.020 0.000 0.969 678 N HN 0.637 nan 8.380 nan 0.000 0.459 679 A N -0.073 122.809 122.820 0.103 0.000 1.984 679 A HA 0.166 4.488 4.320 0.003 0.000 0.214 679 A C 1.677 179.321 177.584 0.102 0.000 1.173 679 A CA 0.482 52.571 52.037 0.087 0.000 0.673 679 A CB -0.023 19.023 19.000 0.078 0.000 0.830 679 A HN 0.166 nan 8.150 nan 0.000 0.453 680 L N -0.291 121.013 121.223 0.135 0.000 2.628 680 L HA 0.128 4.470 4.340 0.003 0.000 0.229 680 L C 0.716 177.591 176.870 0.008 0.000 1.137 680 L CA -0.152 54.764 54.840 0.127 0.000 0.909 680 L CB -0.752 41.419 42.059 0.188 0.000 1.137 680 L HN 0.562 nan 8.230 nan 0.000 0.470 681 H N 1.446 120.407 119.070 -0.182 0.000 2.732 681 H HA 0.210 4.784 4.556 0.031 0.000 0.351 681 H C -0.376 174.820 175.328 -0.219 0.000 1.090 681 H CA 0.383 56.161 56.048 -0.449 0.000 1.431 681 H CB 0.741 30.318 29.762 -0.308 0.000 1.447 681 H HN 0.146 nan 8.280 nan 0.000 0.582 682 E N 3.298 123.024 120.200 -0.791 0.000 2.359 682 E HA 0.167 4.519 4.350 0.003 0.000 0.266 682 E C 0.106 176.421 176.600 -0.477 0.000 0.920 682 E CA -0.789 55.358 56.400 -0.422 0.000 0.788 682 E CB 2.079 31.642 29.700 -0.228 0.000 1.279 682 E HN 0.497 nan 8.360 nan 0.000 0.438 683 L N 0.542 121.658 121.223 -0.178 0.000 2.084 683 L HA 0.056 4.398 4.340 0.003 0.000 0.202 683 L C 0.553 177.380 176.870 -0.073 0.000 1.074 683 L CA 0.966 55.757 54.840 -0.081 0.000 0.757 683 L CB 0.058 42.110 42.059 -0.012 0.000 0.918 683 L HN 0.382 nan 8.230 nan 0.000 0.444 684 N N -0.033 118.632 118.700 -0.057 0.000 2.800 684 N HA 0.203 4.944 4.740 0.003 0.000 0.240 684 N C -2.039 173.447 175.510 -0.040 0.000 1.096 684 N CA -1.006 52.025 53.050 -0.032 0.000 0.877 684 N CB 1.422 39.907 38.487 -0.004 0.000 1.138 684 N HN -0.042 nan 8.380 nan 0.000 0.509 685 P HA -0.139 nan 4.420 nan 0.000 0.216 685 P C 1.780 179.078 177.300 -0.003 0.000 1.150 685 P CA 0.834 63.905 63.100 -0.049 0.000 0.837 685 P CB 0.489 32.158 31.700 -0.052 0.000 0.786 686 M N -0.903 118.701 119.600 0.006 0.000 2.108 686 M HA -0.170 4.312 4.480 0.003 0.000 0.257 686 M C 0.933 177.252 176.300 0.032 0.000 1.071 686 M CA 1.942 57.258 55.300 0.026 0.000 1.093 686 M CB -0.429 32.191 32.600 0.034 0.000 1.345 686 M HN -0.097 nan 8.290 nan 0.000 0.403 687 L N -0.359 120.878 121.223 0.023 0.000 2.928 687 L HA 0.299 4.641 4.340 0.003 0.000 0.246 687 L C 1.040 177.923 176.870 0.022 0.000 1.239 687 L CA -0.635 54.218 54.840 0.023 0.000 1.035 687 L CB -0.239 41.830 42.059 0.017 0.000 1.360 687 L HN 0.262 nan 8.230 nan 0.000 0.529 688 G N -1.633 107.185 108.800 0.030 0.000 2.666 688 G HA2 0.035 3.997 3.960 0.003 0.000 0.207 688 G HA3 0.035 3.997 3.960 0.003 0.000 0.207 688 G C -0.576 174.388 174.900 0.106 0.000 1.481 688 G CA -0.390 44.737 45.100 0.045 0.000 1.071 688 G HN 0.314 nan 8.290 nan 0.000 0.572 689 H N 0.581 119.653 119.070 0.004 0.000 2.846 689 H HA 0.494 5.048 4.556 -0.003 0.000 0.278 689 H C 0.399 175.746 175.328 0.031 0.000 1.117 689 H CA -0.539 55.516 56.048 0.012 0.000 1.406 689 H CB 0.040 29.814 29.762 0.020 0.000 1.445 689 H HN 0.505 nan 8.280 nan 0.000 0.469 690 R N 2.415 122.997 120.500 0.137 0.000 3.034 690 R HA 0.436 4.778 4.340 0.003 0.000 0.264 690 R C 0.428 176.774 176.300 0.077 0.000 1.030 690 R CA -0.529 55.603 56.100 0.053 0.000 0.903 690 R CB -0.169 30.175 30.300 0.074 0.000 1.414 690 R HN 0.662 nan 8.270 nan 0.000 0.429 691 G N 0.150 109.018 108.800 0.114 0.000 2.652 691 G HA2 -0.466 3.496 3.960 0.003 0.000 0.318 691 G HA3 -0.466 3.496 3.960 0.003 0.000 0.318 691 G C 1.193 176.194 174.900 0.169 0.000 1.295 691 G CA 1.454 46.659 45.100 0.175 0.000 0.999 691 G HN 1.379 nan 8.290 nan 0.000 0.548 692 C N -0.012 119.374 119.300 0.143 0.000 2.413 692 C HA 0.044 4.506 4.460 0.003 0.000 0.276 692 C C 2.787 177.763 174.990 -0.023 0.000 1.248 692 C CA 1.839 60.900 59.018 0.072 0.000 1.742 692 C CB -1.790 25.994 27.740 0.075 0.000 2.017 692 C HN 0.780 nan 8.230 nan 0.000 0.481 693 R N 1.038 121.562 120.500 0.039 0.000 2.136 693 R HA -0.190 4.152 4.340 0.003 0.000 0.242 693 R C 2.390 178.753 176.300 0.105 0.000 1.131 693 R CA 2.111 58.272 56.100 0.102 0.000 0.937 693 R CB -0.882 29.542 30.300 0.208 0.000 0.863 693 R HN 0.564 nan 8.270 nan 0.000 0.435 694 L N 0.059 121.262 121.223 -0.033 0.000 2.042 694 L HA -0.109 4.233 4.340 0.003 0.000 0.210 694 L C 2.106 178.813 176.870 -0.272 0.000 1.076 694 L CA 1.587 56.264 54.840 -0.271 0.000 0.749 694 L CB -0.517 41.376 42.059 -0.276 0.000 0.893 694 L HN 0.436 nan 8.230 nan 0.000 0.432 695 G N -0.689 107.815 108.800 -0.493 0.000 2.956 695 G HA2 -0.036 3.926 3.960 0.003 0.000 0.207 695 G HA3 -0.036 3.926 3.960 0.003 0.000 0.207 695 G C 1.177 175.818 174.900 -0.432 0.000 1.162 695 G CA 0.538 45.095 45.100 -0.905 0.000 0.796 695 G HN 0.629 nan 8.290 nan 0.000 0.527 696 I N -2.887 117.547 120.570 -0.227 0.000 3.718 696 I HA 0.158 4.330 4.170 0.003 0.000 0.297 696 I C 2.541 178.576 176.117 -0.136 0.000 1.220 696 I CA 0.933 62.152 61.300 -0.134 0.000 1.381 696 I CB -0.323 37.628 38.000 -0.081 0.000 1.238 696 I HN -0.044 nan 8.210 nan 0.000 0.448 697 T N -0.278 114.183 114.554 -0.155 0.000 2.674 697 T HA -0.095 4.257 4.350 0.003 0.000 0.265 697 T C 0.294 174.705 174.700 -0.481 0.000 1.039 697 T CA 1.239 63.149 62.100 -0.318 0.000 1.150 697 T CB -0.860 67.804 68.868 -0.339 0.000 0.864 697 T HN 0.345 nan 8.240 nan 0.000 0.427 698 Y N 2.093 122.340 120.300 -0.089 0.000 2.587 698 Y HA 0.458 5.007 4.550 -0.001 0.000 0.328 698 Y C -2.120 173.690 175.900 -0.150 0.000 0.980 698 Y CA -3.017 55.021 58.100 -0.104 0.000 1.272 698 Y CB 1.670 40.060 38.460 -0.117 0.000 1.094 698 Y HN 0.110 nan 8.280 nan 0.000 0.503 699 P HA -0.055 nan 4.420 nan 0.000 0.216 699 P C 0.892 178.220 177.300 0.047 0.000 1.156 699 P CA 1.157 64.243 63.100 -0.024 0.000 0.855 699 P CB 0.524 32.219 31.700 -0.008 0.000 0.786 700 E N 0.067 120.308 120.200 0.067 0.000 2.233 700 E HA -0.201 4.150 4.350 0.003 0.000 0.199 700 E C 1.829 178.493 176.600 0.107 0.000 1.004 700 E CA 1.054 57.500 56.400 0.077 0.000 0.819 700 E CB -1.416 28.322 29.700 0.064 0.000 0.738 700 E HN 0.307 nan 8.360 nan 0.000 0.478 701 I N -0.167 120.471 120.570 0.114 0.000 2.058 701 I HA -0.315 3.857 4.170 0.003 0.000 0.235 701 I C 1.846 178.143 176.117 0.301 0.000 1.053 701 I CA 1.402 62.807 61.300 0.175 0.000 1.313 701 I CB -0.599 37.484 38.000 0.138 0.000 1.039 701 I HN 0.067 nan 8.210 nan 0.000 0.396 702 Y N 1.869 122.210 120.300 0.069 0.000 2.446 702 Y HA -0.204 4.347 4.550 0.001 0.000 0.287 702 Y C 2.415 178.346 175.900 0.052 0.000 1.159 702 Y CA 0.741 58.883 58.100 0.069 0.000 1.297 702 Y CB -1.167 37.326 38.460 0.055 0.000 0.974 702 Y HN 0.347 nan 8.280 nan 0.000 0.557 703 N N -1.061 117.757 118.700 0.197 0.000 2.220 703 N HA -0.131 4.610 4.740 0.003 0.000 0.182 703 N C 2.100 177.657 175.510 0.078 0.000 1.023 703 N CA 0.829 53.942 53.050 0.104 0.000 0.856 703 N CB -0.434 38.100 38.487 0.079 0.000 0.997 703 N HN 0.288 nan 8.380 nan 0.000 0.429 704 M N 1.944 121.606 119.600 0.104 0.000 2.073 704 M HA -0.207 4.275 4.480 0.003 0.000 0.258 704 M C 1.835 178.193 176.300 0.096 0.000 1.070 704 M CA 1.696 57.055 55.300 0.098 0.000 1.103 704 M CB -0.621 32.059 32.600 0.133 0.000 1.321 704 M HN 0.124 nan 8.290 nan 0.000 0.405 705 Q N -0.564 119.321 119.800 0.143 0.000 2.045 705 Q HA -0.203 4.139 4.340 0.003 0.000 0.206 705 Q C 2.074 178.068 176.000 -0.009 0.000 0.991 705 Q CA 2.180 58.052 55.803 0.115 0.000 0.851 705 Q CB -0.544 28.274 28.738 0.134 0.000 0.911 705 Q HN 0.481 nan 8.270 nan 0.000 0.418 706 V N 1.598 121.501 119.914 -0.018 0.000 2.515 706 V HA -0.260 3.862 4.120 0.003 0.000 0.250 706 V C 2.322 178.343 176.094 -0.122 0.000 1.058 706 V CA 2.152 64.399 62.300 -0.087 0.000 1.064 706 V CB -0.609 31.179 31.823 -0.058 0.000 0.675 706 V HN 0.424 nan 8.190 nan 0.000 0.461 707 R N 1.007 121.464 120.500 -0.072 0.000 2.080 707 R HA 0.118 4.460 4.340 0.003 0.000 0.222 707 R C 2.396 178.650 176.300 -0.075 0.000 1.107 707 R CA 1.153 57.208 56.100 -0.076 0.000 0.980 707 R CB -0.935 29.342 30.300 -0.038 0.000 0.879 707 R HN 0.299 nan 8.270 nan 0.000 0.439 708 A N 2.553 125.353 122.820 -0.032 0.000 1.940 708 A HA -0.202 4.120 4.320 0.003 0.000 0.221 708 A C 2.223 179.726 177.584 -0.135 0.000 1.190 708 A CA 1.819 53.871 52.037 0.024 0.000 0.647 708 A CB -0.563 18.535 19.000 0.164 0.000 0.821 708 A HN 0.296 nan 8.150 nan 0.000 0.457 709 I N 0.023 120.355 120.570 -0.396 0.000 2.086 709 I HA -0.175 3.997 4.170 0.003 0.000 0.233 709 I C 2.323 178.270 176.117 -0.283 0.000 1.060 709 I CA 1.141 62.076 61.300 -0.608 0.000 1.326 709 I CB -1.302 36.364 38.000 -0.557 0.000 1.067 709 I HN 0.222 nan 8.210 nan 0.000 0.398 710 I N 1.025 121.468 120.570 -0.212 0.000 2.700 710 I HA -0.188 3.984 4.170 0.003 0.000 0.261 710 I C 2.441 178.500 176.117 -0.097 0.000 1.219 710 I CA 1.089 62.298 61.300 -0.151 0.000 1.463 710 I CB -1.240 36.647 38.000 -0.188 0.000 1.092 710 I HN 0.372 nan 8.210 nan 0.000 0.452 711 E N 1.581 121.733 120.200 -0.080 0.000 2.005 711 E HA -0.121 4.231 4.350 0.003 0.000 0.191 711 E C 2.375 178.964 176.600 -0.017 0.000 0.987 711 E CA 1.375 57.753 56.400 -0.037 0.000 0.814 711 E CB -0.227 29.464 29.700 -0.016 0.000 0.772 711 E HN 0.404 nan 8.360 nan 0.000 0.453 712 A N 1.838 124.658 122.820 0.000 0.000 1.958 712 A HA -0.244 4.078 4.320 0.003 0.000 0.221 712 A C 2.412 180.003 177.584 0.011 0.000 1.178 712 A CA 2.445 54.504 52.037 0.036 0.000 0.642 712 A CB -0.711 18.358 19.000 0.116 0.000 0.816 712 A HN 0.313 nan 8.150 nan 0.000 0.453 713 A N -0.500 122.302 122.820 -0.030 0.000 1.898 713 A HA -0.054 4.268 4.320 0.003 0.000 0.216 713 A C 2.203 179.785 177.584 -0.003 0.000 1.181 713 A CA 1.496 53.520 52.037 -0.023 0.000 0.620 713 A CB -0.501 18.469 19.000 -0.050 0.000 0.819 713 A HN 0.750 nan 8.150 nan 0.000 0.442 714 I N -1.030 119.533 120.570 -0.011 0.000 2.500 714 I HA -0.059 4.113 4.170 0.003 0.000 0.252 714 I C 2.526 178.646 176.117 0.005 0.000 1.142 714 I CA 1.144 62.442 61.300 -0.003 0.000 1.451 714 I CB -0.158 37.834 38.000 -0.014 0.000 1.093 714 I HN 0.313 nan 8.210 nan 0.000 0.430 715 A N 0.685 123.509 122.820 0.007 0.000 1.859 715 A HA -0.216 4.106 4.320 0.003 0.000 0.217 715 A C 2.267 179.861 177.584 0.016 0.000 1.198 715 A CA 2.528 54.572 52.037 0.012 0.000 0.629 715 A CB -1.325 17.685 19.000 0.018 0.000 0.830 715 A HN 0.342 nan 8.150 nan 0.000 0.446 716 V N 0.342 120.269 119.914 0.021 0.000 2.324 716 V HA -0.280 3.842 4.120 0.003 0.000 0.250 716 V C 2.837 178.943 176.094 0.020 0.000 1.060 716 V CA 2.475 64.788 62.300 0.023 0.000 1.042 716 V CB -1.319 30.521 31.823 0.028 0.000 0.650 716 V HN 0.771 nan 8.190 nan 0.000 0.450 717 S N -0.273 115.439 115.700 0.021 0.000 2.372 717 S HA -0.333 4.139 4.470 0.003 0.000 0.227 717 S C 2.024 176.636 174.600 0.020 0.000 1.044 717 S CA 2.092 60.306 58.200 0.024 0.000 1.050 717 S CB -0.409 62.808 63.200 0.027 0.000 0.901 717 S HN 0.640 nan 8.310 nan 0.000 0.447 718 E N 1.375 121.585 120.200 0.016 0.000 2.033 718 E HA -0.135 4.217 4.350 0.003 0.000 0.199 718 E C 0.981 177.589 176.600 0.013 0.000 1.011 718 E CA 1.166 57.575 56.400 0.014 0.000 0.815 718 E CB -0.769 28.938 29.700 0.011 0.000 0.755 718 E HN 0.785 nan 8.360 nan 0.000 0.451 719 E N 0.639 120.846 120.200 0.013 0.000 2.710 719 E HA 0.098 4.450 4.350 0.003 0.000 0.299 719 E C 0.807 177.414 176.600 0.011 0.000 1.132 719 E CA 0.314 56.721 56.400 0.012 0.000 1.220 719 E CB -0.962 28.746 29.700 0.013 0.000 1.058 719 E HN 0.371 nan 8.360 nan 0.000 0.472 720 G N 2.046 110.853 108.800 0.011 0.000 2.256 720 G HA2 -0.397 3.565 3.960 0.003 0.000 0.279 720 G HA3 -0.397 3.565 3.960 0.003 0.000 0.279 720 G C 0.423 175.329 174.900 0.010 0.000 0.998 720 G CA 1.015 46.121 45.100 0.010 0.000 0.720 720 G HN 0.575 nan 8.290 nan 0.000 0.521 721 S N -2.023 113.684 115.700 0.013 0.000 2.810 721 S HA 0.895 5.367 4.470 0.003 0.000 0.315 721 S C -0.410 174.200 174.600 0.017 0.000 1.138 721 S CA 0.025 58.233 58.200 0.013 0.000 0.889 721 S CB 2.437 65.644 63.200 0.012 0.000 1.236 721 S HN 0.722 nan 8.310 nan 0.000 0.548 722 S N -0.319 115.391 115.700 0.017 0.000 2.549 722 S HA 0.816 5.288 4.470 0.003 0.000 0.280 722 S C -1.521 173.092 174.600 0.021 0.000 1.109 722 S CA -0.653 57.561 58.200 0.023 0.000 0.905 722 S CB 1.642 64.853 63.200 0.018 0.000 1.081 722 S HN 1.303 nan 8.310 nan 0.000 0.477 723 V N 4.212 124.145 119.914 0.032 0.000 2.891 723 V HA 0.716 4.837 4.120 0.003 0.000 0.304 723 V C -1.888 174.231 176.094 0.042 0.000 1.171 723 V CA -0.856 61.461 62.300 0.028 0.000 0.943 723 V CB 1.567 33.407 31.823 0.028 0.000 1.037 723 V HN 0.904 nan 8.190 nan 0.000 0.427 724 I N 4.544 125.130 120.570 0.027 0.000 2.468 724 I HA 0.808 4.980 4.170 0.003 0.000 0.284 724 I C -3.084 173.045 176.117 0.020 0.000 1.038 724 I CA -2.179 59.144 61.300 0.037 0.000 1.083 724 I CB 2.283 40.291 38.000 0.014 0.000 1.223 724 I HN 0.421 nan 8.210 nan 0.000 0.443 725 P HA 0.476 nan 4.420 nan 0.000 0.296 725 P C -1.316 176.019 177.300 0.060 0.000 1.301 725 P CA -0.363 62.754 63.100 0.029 0.000 0.862 725 P CB 1.376 33.084 31.700 0.014 0.000 1.046 726 E N 2.460 122.676 120.200 0.027 0.000 2.183 726 E HA 0.277 4.628 4.350 0.003 0.000 0.250 726 E C -0.226 176.505 176.600 0.219 0.000 0.901 726 E CA -0.579 55.861 56.400 0.066 0.000 0.741 726 E CB 0.707 30.228 29.700 -0.299 0.000 1.182 726 E HN 0.330 nan 8.360 nan 0.000 0.425 727 I N 3.367 124.104 120.570 0.278 0.000 2.581 727 I HA 0.060 4.232 4.170 0.003 0.000 0.285 727 I C 0.204 176.510 176.117 0.314 0.000 1.129 727 I CA 0.636 62.065 61.300 0.216 0.000 1.397 727 I CB -0.431 37.656 38.000 0.146 0.000 1.399 727 I HN 0.567 nan 8.210 nan 0.000 0.537 728 M N 7.170 126.926 119.600 0.259 0.000 2.364 728 M HA 0.475 4.957 4.480 0.003 0.000 0.334 728 M C -1.295 175.049 176.300 0.074 0.000 1.107 728 M CA -0.635 54.807 55.300 0.237 0.000 0.988 728 M CB 2.056 34.879 32.600 0.372 0.000 1.673 728 M HN 0.276 nan 8.290 nan 0.000 0.441 729 V N 6.914 126.845 119.914 0.028 0.000 2.347 729 V HA 0.452 4.574 4.120 0.003 0.000 0.280 729 V C -2.238 173.887 176.094 0.051 0.000 1.021 729 V CA -1.568 60.754 62.300 0.037 0.000 0.847 729 V CB 0.963 32.820 31.823 0.056 0.000 0.990 729 V HN 0.743 nan 8.190 nan 0.000 0.444 730 P HA 0.246 nan 4.420 nan 0.000 0.272 730 P C 0.479 177.816 177.300 0.062 0.000 1.230 730 P CA -0.206 62.942 63.100 0.080 0.000 0.788 730 P CB 0.558 32.327 31.700 0.114 0.000 0.949 731 L N -0.474 120.767 121.223 0.029 0.000 4.813 731 L HA -0.176 4.166 4.340 0.003 0.000 0.434 731 L C -0.456 176.410 176.870 -0.008 0.000 1.106 731 L CA 0.782 55.633 54.840 0.018 0.000 0.991 731 L CB -2.085 40.004 42.059 0.050 0.000 2.005 731 L HN 0.072 nan 8.230 nan 0.000 0.817 732 V N 0.088 119.983 119.914 -0.032 0.000 2.617 732 V HA 0.340 4.462 4.120 0.003 0.000 0.304 732 V C 1.693 177.740 176.094 -0.078 0.000 1.040 732 V CA 1.205 63.474 62.300 -0.052 0.000 1.149 732 V CB 0.764 32.540 31.823 -0.079 0.000 0.914 732 V HN 0.523 nan 8.190 nan 0.000 0.487 733 G N 4.142 112.908 108.800 -0.058 0.000 2.707 733 G HA2 0.161 4.123 3.960 0.003 0.000 0.198 733 G HA3 0.161 4.123 3.960 0.003 0.000 0.198 733 G C 0.382 175.249 174.900 -0.056 0.000 1.065 733 G CA -0.051 45.014 45.100 -0.058 0.000 0.763 733 G HN 0.545 nan 8.290 nan 0.000 0.625 734 K N 0.740 121.113 120.400 -0.045 0.000 2.378 734 K HA 0.327 4.649 4.320 0.003 0.000 0.252 734 K C 0.871 177.452 176.600 -0.033 0.000 0.931 734 K CA -0.825 55.440 56.287 -0.036 0.000 0.794 734 K CB 1.837 34.321 32.500 -0.026 0.000 1.181 734 K HN -0.139 nan 8.250 nan 0.000 0.425 735 K N 2.002 122.386 120.400 -0.027 0.000 2.248 735 K HA -0.261 4.061 4.320 0.003 0.000 0.208 735 K C 0.268 176.861 176.600 -0.011 0.000 1.044 735 K CA 2.205 58.482 56.287 -0.016 0.000 0.933 735 K CB 0.266 32.763 32.500 -0.006 0.000 0.723 735 K HN 0.633 nan 8.250 nan 0.000 0.475 736 E N -0.781 119.412 120.200 -0.012 0.000 2.413 736 E HA 0.040 4.392 4.350 0.003 0.000 0.203 736 E C 1.575 178.170 176.600 -0.008 0.000 0.957 736 E CA 0.101 56.496 56.400 -0.007 0.000 0.950 736 E CB 0.269 29.964 29.700 -0.008 0.000 0.957 736 E HN 0.329 nan 8.360 nan 0.000 0.497 737 E N 0.410 120.602 120.200 -0.013 0.000 2.097 737 E HA -0.236 4.116 4.350 0.003 0.000 0.196 737 E C 1.742 178.341 176.600 -0.001 0.000 1.000 737 E CA 1.077 57.470 56.400 -0.011 0.000 0.804 737 E CB 0.071 29.761 29.700 -0.016 0.000 0.740 737 E HN 0.163 nan 8.360 nan 0.000 0.454 738 L N -0.211 121.008 121.223 -0.005 0.000 2.162 738 L HA 0.001 4.343 4.340 0.003 0.000 0.205 738 L C 2.270 179.148 176.870 0.013 0.000 1.086 738 L CA 1.631 56.472 54.840 0.002 0.000 0.778 738 L CB -0.464 41.583 42.059 -0.020 0.000 0.928 738 L HN -0.022 nan 8.230 nan 0.000 0.446 739 S N -0.877 114.827 115.700 0.008 0.000 2.419 739 S HA -0.136 4.336 4.470 0.003 0.000 0.235 739 S C 1.898 176.509 174.600 0.019 0.000 1.019 739 S CA 1.508 59.716 58.200 0.013 0.000 0.982 739 S CB -0.329 62.877 63.200 0.009 0.000 0.789 739 S HN 0.495 nan 8.310 nan 0.000 0.490 740 L N 0.842 122.075 121.223 0.017 0.000 2.034 740 L HA 0.005 4.347 4.340 0.003 0.000 0.203 740 L C 2.350 179.240 176.870 0.033 0.000 1.074 740 L CA 0.793 55.644 54.840 0.018 0.000 0.748 740 L CB -0.633 41.429 42.059 0.005 0.000 0.905 740 L HN 0.296 nan 8.230 nan 0.000 0.439 741 I N 0.298 120.894 120.570 0.044 0.000 2.236 741 I HA -0.356 3.816 4.170 0.003 0.000 0.249 741 I C 2.677 178.847 176.117 0.088 0.000 1.102 741 I CA 1.547 62.897 61.300 0.084 0.000 1.365 741 I CB -1.153 36.921 38.000 0.124 0.000 1.051 741 I HN 0.416 nan 8.210 nan 0.000 0.420 742 R N 1.759 122.298 120.500 0.065 0.000 2.088 742 R HA -0.228 4.114 4.340 0.003 0.000 0.232 742 R C 2.248 178.591 176.300 0.071 0.000 1.136 742 R CA 2.367 58.507 56.100 0.066 0.000 0.926 742 R CB -0.216 30.113 30.300 0.049 0.000 0.837 742 R HN 0.571 nan 8.270 nan 0.000 0.429 743 E N -0.320 119.914 120.200 0.057 0.000 2.338 743 E HA -0.190 4.162 4.350 0.003 0.000 0.197 743 E C 1.604 178.234 176.600 0.050 0.000 1.007 743 E CA 1.182 57.614 56.400 0.054 0.000 0.849 743 E CB -0.059 29.665 29.700 0.040 0.000 0.774 743 E HN 0.417 nan 8.360 nan 0.000 0.506 744 E N 0.950 121.184 120.200 0.055 0.000 2.274 744 E HA -0.113 4.239 4.350 0.003 0.000 0.194 744 E C 1.781 178.422 176.600 0.068 0.000 0.996 744 E CA 0.914 57.349 56.400 0.059 0.000 0.840 744 E CB 0.305 30.044 29.700 0.066 0.000 0.772 744 E HN 0.272 nan 8.360 nan 0.000 0.491 745 V N -1.281 118.676 119.914 0.072 0.000 2.788 745 V HA -0.002 4.120 4.120 0.003 0.000 0.241 745 V C 1.834 177.934 176.094 0.011 0.000 1.083 745 V CA 0.955 63.283 62.300 0.047 0.000 1.103 745 V CB 0.126 31.985 31.823 0.060 0.000 0.800 745 V HN 0.148 nan 8.190 nan 0.000 0.476 746 V N 2.578 122.529 119.914 0.062 0.000 2.828 746 V HA -0.252 3.870 4.120 0.003 0.000 0.260 746 V C 2.505 178.616 176.094 0.029 0.000 1.101 746 V CA 2.461 64.812 62.300 0.085 0.000 1.123 746 V CB -1.467 30.442 31.823 0.144 0.000 0.704 746 V HN 0.835 nan 8.190 nan 0.000 0.493 747 K N 0.793 121.205 120.400 0.020 0.000 1.965 747 K HA -0.147 4.175 4.320 0.003 0.000 0.214 747 K C 2.047 178.633 176.600 -0.023 0.000 1.042 747 K CA 1.982 58.273 56.287 0.007 0.000 0.950 747 K CB -1.323 31.187 32.500 0.016 0.000 0.733 747 K HN 0.298 nan 8.250 nan 0.000 0.441 748 T N 1.078 115.616 114.554 -0.027 0.000 2.685 748 T HA -0.227 4.125 4.350 0.003 0.000 0.268 748 T C 2.167 176.802 174.700 -0.107 0.000 1.034 748 T CA 1.759 63.831 62.100 -0.048 0.000 1.149 748 T CB -0.596 68.254 68.868 -0.030 0.000 0.860 748 T HN 0.513 nan 8.240 nan 0.000 0.449 749 A N 1.445 124.156 122.820 -0.183 0.000 1.872 749 A HA -0.058 4.264 4.320 0.003 0.000 0.214 749 A C 2.338 179.761 177.584 -0.268 0.000 1.187 749 A CA 1.056 52.878 52.037 -0.359 0.000 0.614 749 A CB -0.352 18.191 19.000 -0.762 0.000 0.826 749 A HN 0.273 nan 8.150 nan 0.000 0.442 750 E N -0.022 120.090 120.200 -0.146 0.000 2.338 750 E HA -0.025 4.327 4.350 0.003 0.000 0.197 750 E C 2.122 178.701 176.600 -0.035 0.000 1.007 750 E CA 0.919 57.295 56.400 -0.039 0.000 0.849 750 E CB -0.288 29.431 29.700 0.033 0.000 0.774 750 E HN 0.565 nan 8.360 nan 0.000 0.506 751 A N 0.506 123.297 122.820 -0.048 0.000 1.843 751 A HA -0.089 4.233 4.320 0.003 0.000 0.213 751 A C 2.527 180.086 177.584 -0.041 0.000 1.202 751 A CA 1.109 53.126 52.037 -0.033 0.000 0.607 751 A CB -0.683 18.302 19.000 -0.026 0.000 0.847 751 A HN 0.121 nan 8.150 nan 0.000 0.445 752 V N 0.079 119.956 119.914 -0.061 0.000 2.324 752 V HA -0.300 3.821 4.120 0.003 0.000 0.250 752 V C 2.415 178.477 176.094 -0.055 0.000 1.060 752 V CA 2.219 64.483 62.300 -0.060 0.000 1.042 752 V CB -0.806 30.968 31.823 -0.081 0.000 0.650 752 V HN 0.520 nan 8.190 nan 0.000 0.450 753 I N 0.859 121.390 120.570 -0.067 0.000 2.226 753 I HA -0.251 3.920 4.170 0.003 0.000 0.245 753 I C 2.736 178.839 176.117 -0.023 0.000 1.100 753 I CA 2.278 63.552 61.300 -0.043 0.000 1.374 753 I CB -0.545 37.436 38.000 -0.031 0.000 1.057 753 I HN 0.565 nan 8.210 nan 0.000 0.413 754 T N -1.101 113.442 114.554 -0.018 0.000 2.770 754 T HA -0.222 4.130 4.350 0.003 0.000 0.263 754 T C 1.889 176.584 174.700 -0.009 0.000 1.039 754 T CA 1.390 63.485 62.100 -0.009 0.000 1.142 754 T CB -0.474 68.392 68.868 -0.004 0.000 0.868 754 T HN 0.238 nan 8.240 nan 0.000 0.435 755 K N 1.759 122.151 120.400 -0.013 0.000 2.097 755 K HA 0.023 4.345 4.320 0.003 0.000 0.206 755 K C 2.184 178.778 176.600 -0.010 0.000 1.049 755 K CA 1.772 58.053 56.287 -0.011 0.000 0.933 755 K CB -0.626 31.866 32.500 -0.013 0.000 0.717 755 K HN 0.328 nan 8.250 nan 0.000 0.442 756 S N -0.533 115.159 115.700 -0.014 0.000 2.527 756 S HA 0.149 4.621 4.470 0.003 0.000 0.222 756 S C 1.309 175.904 174.600 -0.008 0.000 0.985 756 S CA 0.486 58.679 58.200 -0.012 0.000 0.921 756 S CB -0.066 63.123 63.200 -0.017 0.000 0.772 756 S HN 0.711 nan 8.310 nan 0.000 0.529 757 G N 1.675 110.470 108.800 -0.008 0.000 2.196 757 G HA2 -0.296 3.666 3.960 0.003 0.000 0.268 757 G HA3 -0.296 3.666 3.960 0.003 0.000 0.268 757 G C -0.062 174.836 174.900 -0.004 0.000 0.975 757 G CA 0.565 45.662 45.100 -0.004 0.000 0.648 757 G HN 0.492 nan 8.290 nan 0.000 0.538 758 K N -0.584 119.812 120.400 -0.007 0.000 2.427 758 K HA 0.588 4.910 4.320 0.003 0.000 0.252 758 K C -0.208 176.383 176.600 -0.016 0.000 0.931 758 K CA -1.142 55.141 56.287 -0.006 0.000 0.793 758 K CB 2.109 34.608 32.500 -0.001 0.000 1.211 758 K HN 0.117 nan 8.250 nan 0.000 0.426 759 R N 1.311 121.799 120.500 -0.020 0.000 2.457 759 R HA 0.568 4.910 4.340 0.003 0.000 0.284 759 R C -1.296 174.962 176.300 -0.070 0.000 1.024 759 R CA -0.503 55.561 56.100 -0.060 0.000 1.025 759 R CB 1.276 31.529 30.300 -0.080 0.000 1.063 759 R HN 0.408 nan 8.270 nan 0.000 0.493 760 V N 3.925 123.769 119.914 -0.118 0.000 3.000 760 V HA 0.293 4.415 4.120 0.003 0.000 0.300 760 V C -1.452 174.606 176.094 -0.061 0.000 1.251 760 V CA -0.731 61.538 62.300 -0.051 0.000 0.972 760 V CB 2.273 34.112 31.823 0.026 0.000 1.065 760 V HN 0.886 nan 8.190 nan 0.000 0.431 761 H N 6.222 125.363 119.070 0.118 0.000 2.690 761 H HA 0.386 4.944 4.556 0.003 0.000 0.289 761 H C -0.914 174.468 175.328 0.090 0.000 1.089 761 H CA 0.095 56.180 56.048 0.062 0.000 1.299 761 H CB 0.634 30.387 29.762 -0.014 0.000 1.405 761 H HN 0.685 nan 8.280 nan 0.000 0.463 762 Y N 0.621 120.970 120.300 0.083 0.000 2.568 762 Y HA 0.623 5.175 4.550 0.003 0.000 0.327 762 Y C 0.157 176.121 175.900 0.107 0.000 1.163 762 Y CA -1.149 56.994 58.100 0.070 0.000 1.219 762 Y CB 1.221 39.700 38.460 0.030 0.000 1.308 762 Y HN 0.363 nan 8.280 nan 0.000 0.503 763 T N -0.871 113.809 114.554 0.211 0.000 2.952 763 T HA 0.636 4.988 4.350 0.003 0.000 0.305 763 T C -1.345 173.562 174.700 0.345 0.000 1.064 763 T CA -0.828 61.394 62.100 0.203 0.000 1.008 763 T CB 1.099 70.108 68.868 0.235 0.000 1.078 763 T HN 0.665 nan 8.240 nan 0.000 0.459 764 V N 2.173 122.226 119.914 0.232 0.000 2.472 764 V HA 0.929 5.051 4.120 0.003 0.000 0.290 764 V C 0.850 176.882 176.094 -0.102 0.000 1.037 764 V CA -0.004 62.381 62.300 0.142 0.000 0.908 764 V CB 1.155 33.045 31.823 0.112 0.000 0.985 764 V HN 1.397 nan 8.190 nan 0.000 0.454 765 G N 1.791 110.354 108.800 -0.394 0.000 2.600 765 G HA2 0.635 4.597 3.960 0.003 0.000 0.293 765 G HA3 0.635 4.597 3.960 0.003 0.000 0.293 765 G C -1.181 173.343 174.900 -0.626 0.000 1.408 765 G CA -0.158 44.342 45.100 -1.000 0.000 0.782 765 G HN 0.741 nan 8.290 nan 0.000 0.482 766 T N -0.253 113.998 114.554 -0.505 0.000 2.906 766 T HA 0.576 4.928 4.350 0.003 0.000 0.295 766 T C 0.014 174.619 174.700 -0.158 0.000 1.061 766 T CA -0.616 61.345 62.100 -0.232 0.000 1.000 766 T CB 1.313 70.048 68.868 -0.222 0.000 1.103 766 T HN 0.443 nan 8.240 nan 0.000 0.486 767 M N 3.781 123.331 119.600 -0.082 0.000 2.228 767 M HA 0.295 4.776 4.480 0.003 0.000 0.351 767 M C -0.200 175.945 176.300 -0.258 0.000 1.233 767 M CA -0.126 55.120 55.300 -0.090 0.000 1.129 767 M CB 0.490 33.086 32.600 -0.007 0.000 1.604 767 M HN 0.506 nan 8.290 nan 0.000 0.457 768 I N 4.384 124.716 120.570 -0.395 0.000 2.310 768 I HA 0.120 4.291 4.170 0.003 0.000 0.287 768 I C 0.920 176.883 176.117 -0.257 0.000 1.073 768 I CA 0.233 61.231 61.300 -0.502 0.000 1.216 768 I CB 0.018 37.425 38.000 -0.989 0.000 1.415 768 I HN 0.782 nan 8.210 nan 0.000 0.480 769 E N 4.383 124.496 120.200 -0.146 0.000 2.500 769 E HA 0.077 4.429 4.350 0.003 0.000 0.217 769 E C 0.530 177.105 176.600 -0.041 0.000 0.848 769 E CA -0.031 56.338 56.400 -0.051 0.000 1.217 769 E CB 0.620 30.318 29.700 -0.004 0.000 1.217 769 E HN 0.344 nan 8.360 nan 0.000 0.573 770 V N 0.475 120.351 119.914 -0.065 0.000 2.498 770 V HA 0.255 4.377 4.120 0.003 0.000 0.279 770 V C -1.931 174.128 176.094 -0.059 0.000 1.048 770 V CA -1.757 60.514 62.300 -0.049 0.000 0.967 770 V CB 1.539 33.335 31.823 -0.046 0.000 0.988 770 V HN -0.196 nan 8.190 nan 0.000 0.473 771 P HA -0.165 nan 4.420 nan 0.000 0.216 771 P C 1.685 178.964 177.300 -0.036 0.000 1.150 771 P CA 1.771 64.852 63.100 -0.033 0.000 0.843 771 P CB 0.037 31.720 31.700 -0.030 0.000 0.787 772 R N -0.192 120.284 120.500 -0.039 0.000 2.096 772 R HA -0.117 4.225 4.340 0.003 0.000 0.235 772 R C 2.054 178.322 176.300 -0.053 0.000 1.127 772 R CA 1.595 57.672 56.100 -0.038 0.000 0.968 772 R CB -0.783 29.496 30.300 -0.035 0.000 0.861 772 R HN 0.077 nan 8.270 nan 0.000 0.440 773 A N 0.755 123.524 122.820 -0.084 0.000 1.902 773 A HA -0.098 4.224 4.320 0.003 0.000 0.217 773 A C 2.351 179.857 177.584 -0.129 0.000 1.181 773 A CA 1.607 53.563 52.037 -0.135 0.000 0.623 773 A CB -0.775 18.102 19.000 -0.205 0.000 0.818 773 A HN 0.543 nan 8.150 nan 0.000 0.443 774 A N -0.519 122.246 122.820 -0.091 0.000 1.851 774 A HA -0.070 4.251 4.320 0.003 0.000 0.216 774 A C 2.241 179.832 177.584 0.012 0.000 1.195 774 A CA 1.957 53.979 52.037 -0.024 0.000 0.622 774 A CB -1.204 17.809 19.000 0.022 0.000 0.831 774 A HN 0.437 nan 8.150 nan 0.000 0.444 775 V N 0.604 120.520 119.914 0.003 0.000 2.332 775 V HA -0.198 3.924 4.120 0.003 0.000 0.248 775 V C 2.479 178.580 176.094 0.012 0.000 1.055 775 V CA 2.297 64.604 62.300 0.012 0.000 1.038 775 V CB -1.075 30.750 31.823 0.003 0.000 0.651 775 V HN 0.843 nan 8.190 nan 0.000 0.450 776 T N -2.180 112.371 114.554 -0.005 0.000 3.330 776 T HA 0.394 4.746 4.350 0.003 0.000 0.249 776 T C 1.342 176.047 174.700 0.008 0.000 0.980 776 T CA 0.494 62.593 62.100 -0.001 0.000 0.920 776 T CB 0.419 69.278 68.868 -0.014 0.000 1.065 776 T HN 0.360 nan 8.240 nan 0.000 0.588 777 A N 2.277 125.115 122.820 0.031 0.000 2.070 777 A HA -0.077 4.245 4.320 0.003 0.000 0.220 777 A C 2.097 179.769 177.584 0.148 0.000 1.159 777 A CA 1.432 53.516 52.037 0.078 0.000 0.656 777 A CB -0.452 18.641 19.000 0.155 0.000 0.800 777 A HN 0.756 nan 8.150 nan 0.000 0.453 778 D N 0.654 121.111 120.400 0.096 0.000 2.103 778 D HA -0.165 4.477 4.640 0.003 0.000 0.199 778 D C 2.116 178.460 176.300 0.073 0.000 0.978 778 D CA 1.854 55.905 54.000 0.085 0.000 0.829 778 D CB -1.141 39.691 40.800 0.053 0.000 0.981 778 D HN 0.494 nan 8.370 nan 0.000 0.464 779 S N 0.981 116.710 115.700 0.049 0.000 2.368 779 S HA -0.103 4.369 4.470 0.003 0.000 0.224 779 S C 2.307 176.933 174.600 0.044 0.000 1.029 779 S CA 0.654 58.875 58.200 0.035 0.000 0.988 779 S CB -1.023 62.188 63.200 0.018 0.000 0.838 779 S HN 0.335 nan 8.310 nan 0.000 0.462 780 I N 2.382 122.979 120.570 0.045 0.000 2.567 780 I HA -0.129 4.043 4.170 0.003 0.000 0.257 780 I C 2.896 179.097 176.117 0.140 0.000 1.184 780 I CA 0.929 62.252 61.300 0.038 0.000 1.451 780 I CB -0.719 37.244 38.000 -0.061 0.000 1.089 780 I HN 0.434 nan 8.210 nan 0.000 0.441 781 A N 0.535 123.477 122.820 0.203 0.000 2.015 781 A HA -0.210 4.111 4.320 0.003 0.000 0.219 781 A C 2.227 179.862 177.584 0.086 0.000 1.163 781 A CA 1.258 53.415 52.037 0.199 0.000 0.646 781 A CB -0.392 18.679 19.000 0.119 0.000 0.806 781 A HN 0.470 nan 8.150 nan 0.000 0.448 782 Q N -0.739 119.097 119.800 0.061 0.000 2.230 782 Q HA -0.016 4.326 4.340 0.003 0.000 0.202 782 Q C 1.308 177.325 176.000 0.029 0.000 0.963 782 Q CA 0.953 56.776 55.803 0.033 0.000 0.866 782 Q CB 0.067 28.820 28.738 0.026 0.000 0.931 782 Q HN 0.305 nan 8.270 nan 0.000 0.452 783 K N -0.456 119.965 120.400 0.035 0.000 2.358 783 K HA 0.285 4.606 4.320 0.003 0.000 0.197 783 K C 0.014 176.624 176.600 0.018 0.000 1.025 783 K CA 0.053 56.354 56.287 0.023 0.000 1.104 783 K CB 0.951 33.461 32.500 0.016 0.000 0.855 783 K HN 0.077 nan 8.250 nan 0.000 0.531 784 A N 0.697 123.538 122.820 0.035 0.000 2.288 784 A HA 0.457 4.779 4.320 0.003 0.000 0.328 784 A C -0.148 177.428 177.584 -0.014 0.000 1.123 784 A CA -0.423 51.620 52.037 0.010 0.000 0.861 784 A CB 0.788 19.879 19.000 0.152 0.000 1.272 784 A HN -0.035 nan 8.150 nan 0.000 0.490 785 D N -1.327 119.029 120.400 -0.074 0.000 2.498 785 D HA 0.290 4.932 4.640 0.003 0.000 0.223 785 D C -0.608 175.810 176.300 0.197 0.000 1.125 785 D CA 1.004 55.036 54.000 0.054 0.000 0.835 785 D CB 0.470 41.358 40.800 0.146 0.000 1.086 785 D HN 0.459 nan 8.370 nan 0.000 0.510 786 F N -1.525 118.491 119.950 0.110 0.000 2.807 786 F HA 0.569 5.098 4.527 0.002 0.000 0.316 786 F C -1.933 174.096 175.800 0.381 0.000 1.162 786 F CA -1.538 56.533 58.000 0.119 0.000 0.910 786 F CB 0.723 39.821 39.000 0.163 0.000 1.314 786 F HN -0.412 nan 8.300 nan 0.000 0.454 787 F N 1.297 121.415 119.950 0.279 0.000 2.507 787 F HA 0.657 5.188 4.527 0.007 0.000 0.325 787 F C 0.081 176.044 175.800 0.272 0.000 1.116 787 F CA -1.630 56.434 58.000 0.106 0.000 0.930 787 F CB 1.864 40.848 39.000 -0.027 0.000 1.146 787 F HN 0.627 nan 8.300 nan 0.000 0.447 788 S N 3.328 119.253 115.700 0.375 0.000 2.451 788 S HA 0.614 5.086 4.470 0.003 0.000 0.301 788 S C -0.826 173.846 174.600 0.121 0.000 1.116 788 S CA -0.368 58.019 58.200 0.311 0.000 1.093 788 S CB 0.228 63.629 63.200 0.335 0.000 1.017 788 S HN 0.322 nan 8.310 nan 0.000 0.482 789 F N 2.658 122.664 119.950 0.094 0.000 2.421 789 F HA 0.343 4.872 4.527 0.003 0.000 0.358 789 F C 1.513 177.351 175.800 0.063 0.000 1.115 789 F CA -0.459 57.578 58.000 0.060 0.000 1.160 789 F CB 0.997 40.028 39.000 0.052 0.000 1.123 789 F HN 0.753 nan 8.300 nan 0.000 0.508 790 G N 1.398 110.274 108.800 0.126 0.000 3.530 790 G HA2 0.001 3.963 3.960 0.003 0.000 0.269 790 G HA3 0.001 3.963 3.960 0.003 0.000 0.269 790 G C 1.231 176.208 174.900 0.129 0.000 1.314 790 G CA 0.147 45.320 45.100 0.122 0.000 1.441 790 G HN 0.759 nan 8.290 nan 0.000 0.595 791 T N -1.420 113.219 114.554 0.141 0.000 2.883 791 T HA -0.320 4.032 4.350 0.003 0.000 0.266 791 T C 1.942 176.692 174.700 0.083 0.000 1.103 791 T CA 1.582 63.706 62.100 0.040 0.000 1.125 791 T CB -0.158 68.642 68.868 -0.112 0.000 0.819 791 T HN 0.379 nan 8.240 nan 0.000 0.536 792 N N 1.984 120.818 118.700 0.223 0.000 2.085 792 N HA -0.098 4.644 4.740 0.003 0.000 0.191 792 N C 1.565 177.238 175.510 0.273 0.000 1.058 792 N CA 1.812 55.056 53.050 0.323 0.000 0.849 792 N CB -0.518 38.141 38.487 0.288 0.000 1.038 792 N HN 0.291 nan 8.380 nan 0.000 0.434 793 D N 0.250 120.765 120.400 0.192 0.000 2.116 793 D HA -0.183 4.459 4.640 0.003 0.000 0.193 793 D C 1.907 178.270 176.300 0.106 0.000 0.998 793 D CA 0.889 54.978 54.000 0.148 0.000 0.836 793 D CB -0.520 40.340 40.800 0.100 0.000 0.951 793 D HN 0.295 nan 8.370 nan 0.000 0.449 794 L N 0.683 121.946 121.223 0.067 0.000 2.353 794 L HA -0.087 4.255 4.340 0.003 0.000 0.220 794 L C 1.931 178.783 176.870 -0.030 0.000 1.133 794 L CA 1.391 56.241 54.840 0.016 0.000 0.798 794 L CB -0.264 41.807 42.059 0.021 0.000 0.922 794 L HN -0.103 nan 8.230 nan 0.000 0.445 795 T N -1.475 113.056 114.554 -0.038 0.000 3.009 795 T HA -0.045 4.307 4.350 0.003 0.000 0.258 795 T C 1.727 176.342 174.700 -0.141 0.000 1.063 795 T CA 0.860 62.846 62.100 -0.189 0.000 1.139 795 T CB 0.104 68.723 68.868 -0.415 0.000 0.890 795 T HN 0.451 nan 8.240 nan 0.000 0.471 796 Q N 0.624 120.484 119.800 0.099 0.000 2.083 796 Q HA 0.068 4.410 4.340 0.003 0.000 0.198 796 Q C 2.311 178.347 176.000 0.061 0.000 0.969 796 Q CA 1.170 57.114 55.803 0.236 0.000 0.838 796 Q CB -0.190 28.733 28.738 0.309 0.000 0.900 796 Q HN 0.514 nan 8.270 nan 0.000 0.436 797 M N -0.333 119.281 119.600 0.024 0.000 2.193 797 M HA 0.016 4.498 4.480 0.003 0.000 0.265 797 M C 2.292 178.549 176.300 -0.073 0.000 1.071 797 M CA 1.329 56.620 55.300 -0.015 0.000 1.140 797 M CB -0.548 32.050 32.600 -0.003 0.000 1.369 797 M HN 0.272 nan 8.290 nan 0.000 0.423 798 G N -0.102 108.643 108.800 -0.091 0.000 2.442 798 G HA2 -0.199 3.762 3.960 0.003 0.000 0.219 798 G HA3 -0.199 3.762 3.960 0.003 0.000 0.219 798 G C 1.401 176.177 174.900 -0.206 0.000 1.141 798 G CA 1.123 46.149 45.100 -0.123 0.000 0.763 798 G HN 0.493 nan 8.290 nan 0.000 0.554 799 C N -0.807 118.289 119.300 -0.339 0.000 2.935 799 C HA 0.547 5.009 4.460 0.003 0.000 0.308 799 C C 1.935 176.452 174.990 -0.789 0.000 1.263 799 C CA 0.174 58.794 59.018 -0.662 0.000 1.738 799 C CB -0.302 26.811 27.740 -1.045 0.000 2.237 799 C HN 0.870 nan 8.230 nan 0.000 0.600 800 G N 1.033 109.583 108.800 -0.416 0.000 2.204 800 G HA2 -0.208 3.754 3.960 0.003 0.000 0.244 800 G HA3 -0.208 3.754 3.960 0.003 0.000 0.244 800 G C -0.452 174.480 174.900 0.054 0.000 1.062 800 G CA -0.339 44.661 45.100 -0.166 0.000 0.798 800 G HN 0.317 nan 8.290 nan 0.000 0.496 801 F N 0.875 120.921 119.950 0.160 0.000 2.403 801 F HA 0.641 5.161 4.527 -0.012 0.000 0.355 801 F C 0.685 176.619 175.800 0.223 0.000 1.119 801 F CA -1.879 56.268 58.000 0.246 0.000 1.007 801 F CB 1.914 41.120 39.000 0.343 0.000 1.194 801 F HN 0.086 nan 8.300 nan 0.000 0.443 802 S N 4.539 120.442 115.700 0.339 0.000 2.494 802 S HA 0.140 4.612 4.470 0.003 0.000 0.312 802 S C 1.722 176.354 174.600 0.053 0.000 1.121 802 S CA -0.397 57.902 58.200 0.166 0.000 1.068 802 S CB -0.068 63.206 63.200 0.123 0.000 1.141 802 S HN 0.778 nan 8.310 nan 0.000 0.527 803 R N 3.485 123.928 120.500 -0.095 0.000 2.133 803 R HA -0.185 4.157 4.340 0.003 0.000 0.245 803 R C 0.716 176.851 176.300 -0.275 0.000 1.137 803 R CA 2.717 58.558 56.100 -0.432 0.000 0.947 803 R CB -0.463 29.343 30.300 -0.823 0.000 0.865 803 R HN 0.663 nan 8.270 nan 0.000 0.437 804 D N -0.060 120.240 120.400 -0.168 0.000 2.384 804 D HA -0.114 4.528 4.640 0.003 0.000 0.222 804 D C 0.626 176.884 176.300 -0.070 0.000 0.976 804 D CA 1.025 54.954 54.000 -0.117 0.000 0.915 804 D CB -0.006 40.749 40.800 -0.075 0.000 0.896 804 D HN 0.354 nan 8.370 nan 0.000 0.523 805 D N -0.403 119.977 120.400 -0.034 0.000 2.449 805 D HA 0.146 4.787 4.640 0.003 0.000 0.210 805 D C 1.444 177.788 176.300 0.073 0.000 1.094 805 D CA 0.111 54.135 54.000 0.040 0.000 0.846 805 D CB 0.269 41.127 40.800 0.097 0.000 1.003 805 D HN 0.159 nan 8.370 nan 0.000 0.504 806 A N 1.012 123.785 122.820 -0.077 0.000 2.261 806 A HA 0.248 4.569 4.320 0.003 0.000 0.208 806 A C 2.037 179.275 177.584 -0.577 0.000 1.223 806 A CA 0.799 52.561 52.037 -0.459 0.000 0.833 806 A CB -0.678 17.935 19.000 -0.645 0.000 0.830 806 A HN 0.196 nan 8.150 nan 0.000 0.483 807 G N 1.413 110.079 108.800 -0.223 0.000 2.511 807 G HA2 -0.200 3.762 3.960 0.003 0.000 0.216 807 G HA3 -0.200 3.762 3.960 0.003 0.000 0.216 807 G C -0.206 174.629 174.900 -0.108 0.000 1.218 807 G CA 1.250 46.257 45.100 -0.155 0.000 0.788 807 G HN 0.475 nan 8.290 nan 0.000 0.560 808 P HA -0.145 nan 4.420 nan 0.000 0.218 808 P C 1.204 178.618 177.300 0.189 0.000 1.147 808 P CA 1.704 64.881 63.100 0.128 0.000 0.827 808 P CB -0.175 31.661 31.700 0.227 0.000 0.778 809 F N -5.487 114.481 119.950 0.030 0.000 2.671 809 F HA 0.307 4.828 4.527 -0.010 0.000 0.303 809 F C 1.853 177.781 175.800 0.213 0.000 0.935 809 F CA -0.287 57.760 58.000 0.078 0.000 1.136 809 F CB -0.848 38.208 39.000 0.094 0.000 0.929 809 F HN -0.339 nan 8.300 nan 0.000 0.659 810 L N 1.304 122.198 121.223 -0.548 0.000 2.013 810 L HA -0.208 4.133 4.340 0.003 0.000 0.212 810 L C 2.607 179.487 176.870 0.016 0.000 1.073 810 L CA 2.009 56.704 54.840 -0.243 0.000 0.753 810 L CB -0.437 41.314 42.059 -0.512 0.000 0.890 810 L HN 0.210 nan 8.230 nan 0.000 0.432 811 R N -1.431 119.047 120.500 -0.037 0.000 2.117 811 R HA -0.268 4.074 4.340 0.003 0.000 0.243 811 R C 2.203 178.559 176.300 0.093 0.000 1.143 811 R CA 1.789 57.903 56.100 0.023 0.000 0.968 811 R CB -0.694 29.611 30.300 0.008 0.000 0.863 811 R HN 0.421 nan 8.270 nan 0.000 0.444 812 H N -0.342 118.736 119.070 0.014 0.000 2.357 812 H HA -0.093 4.464 4.556 0.002 0.000 0.301 812 H C 1.447 176.784 175.328 0.014 0.000 1.082 812 H CA 1.540 57.584 56.048 -0.007 0.000 1.342 812 H CB -0.189 29.544 29.762 -0.048 0.000 1.389 812 H HN 0.178 nan 8.280 nan 0.000 0.511 813 Y N -0.041 120.307 120.300 0.080 0.000 2.151 813 Y HA -0.200 4.350 4.550 0.001 0.000 0.284 813 Y C 2.866 178.775 175.900 0.015 0.000 1.166 813 Y CA 1.687 59.829 58.100 0.069 0.000 1.163 813 Y CB -0.845 37.735 38.460 0.198 0.000 0.974 813 Y HN 0.394 nan 8.280 nan 0.000 0.511 814 G N -0.732 108.172 108.800 0.173 0.000 2.450 814 G HA2 -0.307 3.655 3.960 0.003 0.000 0.220 814 G HA3 -0.307 3.655 3.960 0.003 0.000 0.220 814 G C 1.516 176.434 174.900 0.031 0.000 1.130 814 G CA 1.278 46.437 45.100 0.098 0.000 0.760 814 G HN 0.474 nan 8.290 nan 0.000 0.557 815 N N -0.012 118.667 118.700 -0.035 0.000 2.109 815 N HA -0.055 4.687 4.740 0.003 0.000 0.188 815 N C 2.098 177.558 175.510 -0.083 0.000 1.034 815 N CA 1.235 54.242 53.050 -0.072 0.000 0.846 815 N CB -0.114 38.298 38.487 -0.126 0.000 1.010 815 N HN 0.307 nan 8.380 nan 0.000 0.425 816 L N -1.575 119.561 121.223 -0.146 0.000 2.395 816 L HA 0.362 4.704 4.340 0.003 0.000 0.218 816 L C 1.020 177.872 176.870 -0.030 0.000 1.130 816 L CA 0.495 55.272 54.840 -0.104 0.000 0.826 816 L CB -0.640 41.322 42.059 -0.161 0.000 0.941 816 L HN 0.072 nan 8.230 nan 0.000 0.451 817 G N 0.278 109.081 108.800 0.006 0.000 2.452 817 G HA2 -0.178 3.784 3.960 0.003 0.000 0.275 817 G HA3 -0.178 3.784 3.960 0.003 0.000 0.275 817 G C 0.454 175.376 174.900 0.037 0.000 1.131 817 G CA 0.255 45.374 45.100 0.033 0.000 1.031 817 G HN 0.132 nan 8.290 nan 0.000 0.511 818 I N -0.493 120.138 120.570 0.102 0.000 2.244 818 I HA 0.124 4.296 4.170 0.003 0.000 0.231 818 I C 1.521 177.537 176.117 -0.168 0.000 1.065 818 I CA 0.591 61.893 61.300 0.003 0.000 1.358 818 I CB -1.243 36.891 38.000 0.223 0.000 1.130 818 I HN 0.287 nan 8.210 nan 0.000 0.411 819 Y N 0.930 121.274 120.300 0.073 0.000 2.336 819 Y HA 0.384 4.939 4.550 0.007 0.000 0.335 819 Y C 1.388 177.306 175.900 0.031 0.000 1.046 819 Y CA -0.222 57.895 58.100 0.029 0.000 1.198 819 Y CB 0.684 39.146 38.460 0.003 0.000 1.182 819 Y HN 0.156 nan 8.280 nan 0.000 0.502 820 A N 3.326 126.222 122.820 0.127 0.000 2.076 820 A HA -0.112 4.210 4.320 0.003 0.000 0.220 820 A C 0.371 178.002 177.584 0.078 0.000 1.160 820 A CA 1.261 53.345 52.037 0.078 0.000 0.653 820 A CB -0.425 18.605 19.000 0.050 0.000 0.801 820 A HN 0.804 nan 8.150 nan 0.000 0.455 821 Q N -1.263 118.599 119.800 0.104 0.000 2.430 821 Q HA 0.273 4.615 4.340 0.003 0.000 0.253 821 Q C -1.638 174.397 176.000 0.059 0.000 0.945 821 Q CA -0.906 54.935 55.803 0.063 0.000 0.964 821 Q CB 0.422 29.177 28.738 0.030 0.000 1.460 821 Q HN 0.064 nan 8.270 nan 0.000 0.428 822 D N 5.084 125.505 120.400 0.035 0.000 4.812 822 D HA -0.129 4.512 4.640 0.003 0.000 0.206 822 D C -1.143 175.163 176.300 0.010 0.000 1.283 822 D CA -0.280 53.729 54.000 0.016 0.000 0.795 822 D CB 0.792 41.606 40.800 0.024 0.000 1.274 822 D HN 0.377 nan 8.370 nan 0.000 0.710 823 P HA -0.110 nan 4.420 nan 0.000 0.239 823 P C 0.943 178.188 177.300 -0.091 0.000 1.184 823 P CA 0.572 63.602 63.100 -0.117 0.000 0.760 823 P CB -0.106 31.388 31.700 -0.343 0.000 0.884 824 F N -0.736 119.229 119.950 0.026 0.000 2.776 824 F HA 0.125 4.652 4.527 0.000 0.000 0.300 824 F C 2.531 178.172 175.800 -0.265 0.000 1.116 824 F CA 0.427 58.421 58.000 -0.010 0.000 1.375 824 F CB 0.002 38.986 39.000 -0.028 0.000 1.109 824 F HN -0.100 nan 8.300 nan 0.000 0.585 825 Q N -0.540 119.218 119.800 -0.069 0.000 2.387 825 Q HA 0.186 4.527 4.340 0.003 0.000 0.208 825 Q C 0.385 176.284 176.000 -0.169 0.000 0.935 825 Q CA 0.460 56.164 55.803 -0.166 0.000 0.891 825 Q CB 0.650 29.353 28.738 -0.059 0.000 1.007 825 Q HN 0.049 nan 8.270 nan 0.000 0.548 826 S N -0.459 115.251 115.700 0.017 0.000 2.557 826 S HA 0.464 4.936 4.470 0.003 0.000 0.291 826 S C -0.684 174.025 174.600 0.182 0.000 1.116 826 S CA -0.761 57.526 58.200 0.146 0.000 0.992 826 S CB 0.513 63.758 63.200 0.075 0.000 1.028 826 S HN 0.326 nan 8.310 nan 0.000 0.484 827 I N 3.446 124.111 120.570 0.159 0.000 2.845 827 I HA -0.040 4.132 4.170 0.003 0.000 0.296 827 I C 0.279 176.287 176.117 -0.181 0.000 1.216 827 I CA 0.366 61.566 61.300 -0.167 0.000 1.438 827 I CB 0.385 38.145 38.000 -0.399 0.000 1.342 827 I HN 0.720 nan 8.210 nan 0.000 0.577 828 D N 6.469 126.762 120.400 -0.178 0.000 2.357 828 D HA -0.018 4.624 4.640 0.003 0.000 0.265 828 D C 0.843 177.021 176.300 -0.203 0.000 1.334 828 D CA 0.344 54.280 54.000 -0.105 0.000 0.984 828 D CB 0.759 41.530 40.800 -0.047 0.000 1.077 828 D HN 0.513 nan 8.370 nan 0.000 0.514 829 Q N 2.382 122.046 119.800 -0.225 0.000 2.123 829 Q HA -0.152 4.190 4.340 0.003 0.000 0.199 829 Q C 1.570 177.486 176.000 -0.140 0.000 0.966 829 Q CA 0.833 56.434 55.803 -0.337 0.000 0.845 829 Q CB 0.110 28.677 28.738 -0.285 0.000 0.907 829 Q HN 0.682 nan 8.270 nan 0.000 0.439 830 E N -0.667 119.496 120.200 -0.063 0.000 2.118 830 E HA -0.181 4.171 4.350 0.003 0.000 0.195 830 E C 1.420 178.011 176.600 -0.014 0.000 0.992 830 E CA 1.279 57.669 56.400 -0.018 0.000 0.804 830 E CB 0.074 29.765 29.700 -0.014 0.000 0.741 830 E HN 0.380 nan 8.360 nan 0.000 0.458 831 G N 0.356 109.139 108.800 -0.028 0.000 2.613 831 G HA2 0.001 3.962 3.960 0.003 0.000 0.218 831 G HA3 0.001 3.962 3.960 0.003 0.000 0.218 831 G C 1.360 176.236 174.900 -0.039 0.000 1.508 831 G CA 0.130 45.217 45.100 -0.022 0.000 0.788 831 G HN 0.096 nan 8.290 nan 0.000 0.603 832 I N 2.615 123.139 120.570 -0.077 0.000 2.185 832 I HA -0.179 3.993 4.170 0.003 0.000 0.246 832 I C 2.986 179.063 176.117 -0.067 0.000 1.088 832 I CA 1.729 62.971 61.300 -0.097 0.000 1.347 832 I CB -1.628 36.268 38.000 -0.172 0.000 1.041 832 I HN 0.262 nan 8.210 nan 0.000 0.415 833 G N 0.180 108.903 108.800 -0.128 0.000 2.440 833 G HA2 -0.322 3.639 3.960 0.003 0.000 0.218 833 G HA3 -0.322 3.639 3.960 0.003 0.000 0.218 833 G C 1.600 176.591 174.900 0.151 0.000 1.154 833 G CA 1.118 46.196 45.100 -0.036 0.000 0.767 833 G HN 0.400 nan 8.290 nan 0.000 0.552 834 E N 0.637 120.886 120.200 0.081 0.000 2.070 834 E HA -0.123 4.229 4.350 0.003 0.000 0.197 834 E C 2.544 179.194 176.600 0.084 0.000 1.004 834 E CA 0.929 57.381 56.400 0.086 0.000 0.805 834 E CB -0.586 29.143 29.700 0.049 0.000 0.744 834 E HN 0.439 nan 8.360 nan 0.000 0.451 835 L N -0.350 120.912 121.223 0.065 0.000 2.010 835 L HA -0.294 4.048 4.340 0.003 0.000 0.219 835 L C 2.483 179.440 176.870 0.146 0.000 1.077 835 L CA 1.703 56.590 54.840 0.080 0.000 0.773 835 L CB -0.780 41.311 42.059 0.054 0.000 0.892 835 L HN 0.149 nan 8.230 nan 0.000 0.436 836 V N -0.602 119.414 119.914 0.171 0.000 2.295 836 V HA -0.315 3.807 4.120 0.003 0.000 0.246 836 V C 2.616 178.778 176.094 0.113 0.000 1.049 836 V CA 2.013 64.431 62.300 0.195 0.000 1.024 836 V CB -0.789 31.090 31.823 0.094 0.000 0.648 836 V HN 0.454 nan 8.190 nan 0.000 0.447 837 R N -0.069 120.493 120.500 0.103 0.000 2.094 837 R HA -0.218 4.124 4.340 0.003 0.000 0.239 837 R C 2.294 178.633 176.300 0.065 0.000 1.137 837 R CA 2.361 58.490 56.100 0.047 0.000 0.943 837 R CB -0.459 29.883 30.300 0.070 0.000 0.850 837 R HN 0.457 nan 8.270 nan 0.000 0.433 838 I N 0.845 121.468 120.570 0.088 0.000 2.127 838 I HA -0.316 3.856 4.170 0.003 0.000 0.241 838 I C 2.629 178.819 176.117 0.123 0.000 1.075 838 I CA 1.689 63.040 61.300 0.085 0.000 1.334 838 I CB -0.438 37.607 38.000 0.075 0.000 1.040 838 I HN 0.336 nan 8.210 nan 0.000 0.405 839 A N 0.269 123.202 122.820 0.188 0.000 1.859 839 A HA -0.221 4.101 4.320 0.003 0.000 0.217 839 A C 2.452 180.230 177.584 0.324 0.000 1.198 839 A CA 2.456 54.665 52.037 0.286 0.000 0.629 839 A CB -1.305 17.960 19.000 0.442 0.000 0.830 839 A HN 0.235 nan 8.150 nan 0.000 0.446 840 V N 0.650 120.736 119.914 0.287 0.000 2.282 840 V HA -0.304 3.817 4.120 0.003 0.000 0.249 840 V C 3.048 179.193 176.094 0.085 0.000 1.057 840 V CA 2.773 65.175 62.300 0.171 0.000 1.032 840 V CB -1.636 30.187 31.823 -0.000 0.000 0.645 840 V HN 0.912 nan 8.190 nan 0.000 0.447 841 T N -1.478 113.113 114.554 0.061 0.000 2.701 841 T HA -0.217 4.135 4.350 0.003 0.000 0.263 841 T C 1.860 176.587 174.700 0.045 0.000 1.040 841 T CA 1.451 63.570 62.100 0.031 0.000 1.147 841 T CB -0.373 68.506 68.868 0.018 0.000 0.865 841 T HN 0.447 nan 8.240 nan 0.000 0.426 842 K N 1.147 121.589 120.400 0.071 0.000 2.020 842 K HA -0.055 4.267 4.320 0.003 0.000 0.212 842 K C 2.705 179.352 176.600 0.078 0.000 1.050 842 K CA 1.572 57.902 56.287 0.071 0.000 0.929 842 K CB -1.114 31.436 32.500 0.083 0.000 0.714 842 K HN 0.527 nan 8.250 nan 0.000 0.443 843 G N 1.877 110.755 108.800 0.129 0.000 2.476 843 G HA2 -0.290 3.672 3.960 0.003 0.000 0.218 843 G HA3 -0.290 3.672 3.960 0.003 0.000 0.218 843 G C 1.539 176.427 174.900 -0.020 0.000 1.164 843 G CA 0.683 45.836 45.100 0.089 0.000 0.768 843 G HN 0.229 nan 8.290 nan 0.000 0.560 844 R N 0.001 120.489 120.500 -0.021 0.000 2.148 844 R HA 0.029 4.371 4.340 0.003 0.000 0.223 844 R C 2.553 178.840 176.300 -0.023 0.000 1.088 844 R CA 0.748 56.823 56.100 -0.042 0.000 0.985 844 R CB -0.365 29.910 30.300 -0.041 0.000 0.880 844 R HN 0.411 nan 8.270 nan 0.000 0.451 845 R N 1.061 121.558 120.500 -0.004 0.000 2.096 845 R HA -0.154 4.188 4.340 0.003 0.000 0.240 845 R C 1.899 178.197 176.300 -0.003 0.000 1.139 845 R CA 1.862 57.962 56.100 -0.001 0.000 0.952 845 R CB -0.213 30.093 30.300 0.010 0.000 0.854 845 R HN 0.004 nan 8.270 nan 0.000 0.436 846 V N 1.240 121.155 119.914 0.001 0.000 2.239 846 V HA -0.114 4.008 4.120 0.003 0.000 0.236 846 V C 0.749 176.834 176.094 -0.015 0.000 1.040 846 V CA 1.479 63.779 62.300 -0.000 0.000 0.996 846 V CB -0.301 31.530 31.823 0.013 0.000 0.640 846 V HN 0.245 nan 8.190 nan 0.000 0.456 847 K N 1.241 121.621 120.400 -0.033 0.000 2.267 847 K HA 0.273 4.595 4.320 0.003 0.000 0.282 847 K C -2.070 174.495 176.600 -0.058 0.000 1.078 847 K CA -1.786 54.473 56.287 -0.048 0.000 0.903 847 K CB 1.336 33.795 32.500 -0.070 0.000 1.111 847 K HN 0.204 nan 8.250 nan 0.000 0.475 848 P HA 0.056 nan 4.420 nan 0.000 0.224 848 P C 0.552 177.824 177.300 -0.047 0.000 1.157 848 P CA 0.727 63.803 63.100 -0.041 0.000 0.799 848 P CB 0.328 32.011 31.700 -0.029 0.000 0.809 849 M N -0.660 118.915 119.600 -0.043 0.000 2.738 849 M HA 0.200 4.682 4.480 0.003 0.000 0.295 849 M C 0.032 176.309 176.300 -0.040 0.000 1.266 849 M CA -1.236 54.043 55.300 -0.035 0.000 0.985 849 M CB -1.053 31.533 32.600 -0.023 0.000 1.365 849 M HN -0.066 nan 8.290 nan 0.000 0.492 850 L N 1.850 123.028 121.223 -0.076 0.000 2.410 850 L HA 0.175 4.517 4.340 0.003 0.000 0.273 850 L C 0.341 177.175 176.870 -0.059 0.000 1.152 850 L CA 0.320 55.093 54.840 -0.111 0.000 0.855 850 L CB 0.343 42.242 42.059 -0.266 0.000 1.129 850 L HN 0.063 nan 8.230 nan 0.000 0.463 851 K N 5.307 125.724 120.400 0.028 0.000 2.379 851 K HA 0.390 4.711 4.320 0.003 0.000 0.284 851 K C -0.818 175.863 176.600 0.135 0.000 1.044 851 K CA 0.600 56.954 56.287 0.112 0.000 0.974 851 K CB 0.286 32.904 32.500 0.197 0.000 0.962 851 K HN 0.608 nan 8.250 nan 0.000 0.474 852 M N 2.385 122.039 119.600 0.090 0.000 2.395 852 M HA 0.513 4.995 4.480 0.003 0.000 0.307 852 M C 0.042 176.284 176.300 -0.097 0.000 1.091 852 M CA -0.900 54.481 55.300 0.134 0.000 0.919 852 M CB 2.402 35.097 32.600 0.159 0.000 1.662 852 M HN 0.723 nan 8.290 nan 0.000 0.440 853 G N 1.844 110.564 108.800 -0.133 0.000 2.725 853 G HA2 0.867 4.829 3.960 0.003 0.000 0.288 853 G HA3 0.867 4.829 3.960 0.003 0.000 0.288 853 G C -2.190 172.636 174.900 -0.123 0.000 1.399 853 G CA -0.581 44.103 45.100 -0.693 0.000 0.859 853 G HN 0.734 nan 8.290 nan 0.000 0.479 854 I N -0.834 119.647 120.570 -0.148 0.000 2.934 854 I HA 0.725 4.897 4.170 0.003 0.000 0.306 854 I C -0.307 175.895 176.117 0.141 0.000 1.110 854 I CA -0.826 60.532 61.300 0.097 0.000 1.019 854 I CB 2.042 40.084 38.000 0.071 0.000 1.227 854 I HN 0.941 nan 8.210 nan 0.000 0.434 855 C N 3.493 122.907 119.300 0.191 0.000 3.323 855 C HA 1.038 5.500 4.460 0.003 0.000 0.324 855 C C 0.330 175.435 174.990 0.191 0.000 1.428 855 C CA 0.201 59.334 59.018 0.192 0.000 1.368 855 C CB 0.587 28.448 27.740 0.202 0.000 1.731 855 C HN 1.541 nan 8.230 nan 0.000 0.455 856 G N 0.753 109.652 108.800 0.164 0.000 2.545 856 G HA2 -0.090 3.872 3.960 0.003 0.000 0.216 856 G HA3 -0.090 3.872 3.960 0.003 0.000 0.216 856 G C 0.102 175.078 174.900 0.127 0.000 1.314 856 G CA 0.399 45.591 45.100 0.153 0.000 0.906 856 G HN 1.017 nan 8.290 nan 0.000 0.563 857 E N -0.590 119.663 120.200 0.088 0.000 2.107 857 E HA -0.067 4.285 4.350 0.003 0.000 0.191 857 E C 1.951 178.536 176.600 -0.025 0.000 0.982 857 E CA 1.422 57.821 56.400 -0.001 0.000 0.809 857 E CB -0.081 29.573 29.700 -0.075 0.000 0.756 857 E HN 0.668 nan 8.360 nan 0.000 0.459 858 H N 0.343 119.463 119.070 0.083 0.000 2.457 858 H HA -0.062 4.494 4.556 0.000 0.000 0.297 858 H C 2.283 177.659 175.328 0.079 0.000 1.092 858 H CA 1.163 57.254 56.048 0.071 0.000 1.309 858 H CB -0.392 29.407 29.762 0.061 0.000 1.382 858 H HN 0.262 nan 8.280 nan 0.000 0.535 859 G N -0.244 108.672 108.800 0.194 0.000 2.469 859 G HA2 -0.260 3.702 3.960 0.003 0.000 0.220 859 G HA3 -0.260 3.702 3.960 0.003 0.000 0.220 859 G C 1.835 176.802 174.900 0.112 0.000 1.136 859 G CA 0.948 46.137 45.100 0.148 0.000 0.759 859 G HN 0.536 nan 8.290 nan 0.000 0.562 860 G N -0.632 108.221 108.800 0.089 0.000 2.986 860 G HA2 0.194 4.156 3.960 0.003 0.000 0.213 860 G HA3 0.194 4.156 3.960 0.003 0.000 0.213 860 G C 0.011 174.958 174.900 0.078 0.000 1.156 860 G CA 0.345 45.486 45.100 0.067 0.000 0.763 860 G HN 0.441 nan 8.290 nan 0.000 0.547 861 D N 0.366 120.824 120.400 0.096 0.000 2.339 861 D HA 0.323 4.965 4.640 0.003 0.000 0.241 861 D C -1.080 175.301 176.300 0.134 0.000 1.183 861 D CA -1.994 52.082 54.000 0.126 0.000 0.859 861 D CB 1.821 42.686 40.800 0.109 0.000 1.067 861 D HN -0.100 nan 8.370 nan 0.000 0.484 862 P HA -0.322 nan 4.420 nan 0.000 0.214 862 P C 1.132 178.474 177.300 0.069 0.000 1.164 862 P CA 2.482 65.585 63.100 0.006 0.000 0.942 862 P CB -0.015 31.544 31.700 -0.236 0.000 0.791 863 A N -1.552 121.352 122.820 0.140 0.000 1.940 863 A HA -0.301 4.020 4.320 0.003 0.000 0.221 863 A C 2.315 179.990 177.584 0.153 0.000 1.190 863 A CA 3.001 55.126 52.037 0.146 0.000 0.647 863 A CB -1.993 17.111 19.000 0.173 0.000 0.821 863 A HN 0.254 nan 8.150 nan 0.000 0.457 864 T N 0.135 114.781 114.554 0.153 0.000 2.701 864 T HA -0.052 4.299 4.350 0.003 0.000 0.263 864 T C 1.818 176.650 174.700 0.220 0.000 1.040 864 T CA 1.302 63.506 62.100 0.172 0.000 1.147 864 T CB -0.381 68.596 68.868 0.182 0.000 0.865 864 T HN 0.431 nan 8.240 nan 0.000 0.426 865 I N 1.313 121.978 120.570 0.159 0.000 2.185 865 I HA -0.213 3.959 4.170 0.003 0.000 0.246 865 I C 2.832 179.032 176.117 0.139 0.000 1.088 865 I CA 1.679 63.057 61.300 0.131 0.000 1.347 865 I CB -1.045 37.005 38.000 0.084 0.000 1.041 865 I HN 0.343 nan 8.210 nan 0.000 0.415 866 G N 0.455 109.337 108.800 0.135 0.000 2.408 866 G HA2 -0.291 3.671 3.960 0.003 0.000 0.217 866 G HA3 -0.291 3.671 3.960 0.003 0.000 0.217 866 G C 1.589 176.596 174.900 0.177 0.000 1.150 866 G CA 0.399 45.575 45.100 0.127 0.000 0.776 866 G HN 0.343 nan 8.290 nan 0.000 0.542 867 F N 1.468 121.447 119.950 0.048 0.000 2.075 867 F HA -0.147 4.383 4.527 0.004 0.000 0.297 867 F C 2.731 178.535 175.800 0.006 0.000 1.113 867 F CA 1.604 59.618 58.000 0.024 0.000 1.218 867 F CB -0.635 38.368 39.000 0.006 0.000 0.984 867 F HN 0.188 nan 8.300 nan 0.000 0.472 868 C N 0.143 119.488 119.300 0.075 0.000 2.403 868 C HA -0.245 4.217 4.460 0.003 0.000 0.279 868 C C 2.631 177.545 174.990 -0.126 0.000 1.269 868 C CA 1.680 60.643 59.018 -0.091 0.000 1.774 868 C CB -2.013 25.741 27.740 0.023 0.000 1.993 868 C HN 0.711 nan 8.230 nan 0.000 0.496 869 H N 1.416 120.421 119.070 -0.109 0.000 2.261 869 H HA -0.086 4.471 4.556 0.003 0.000 0.301 869 H C 2.280 177.526 175.328 -0.138 0.000 1.067 869 H CA 1.736 57.730 56.048 -0.090 0.000 1.297 869 H CB -0.114 29.627 29.762 -0.036 0.000 1.377 869 H HN 0.151 nan 8.280 nan 0.000 0.492 870 K N -0.032 120.320 120.400 -0.081 0.000 2.071 870 K HA -0.162 4.160 4.320 0.003 0.000 0.217 870 K C 2.262 178.682 176.600 -0.300 0.000 1.054 870 K CA 1.726 57.908 56.287 -0.175 0.000 0.937 870 K CB -0.911 31.507 32.500 -0.137 0.000 0.719 870 K HN 0.296 nan 8.250 nan 0.000 0.454 871 V N -0.667 118.984 119.914 -0.438 0.000 2.809 871 V HA -0.041 4.081 4.120 0.003 0.000 0.256 871 V C 1.624 177.531 176.094 -0.311 0.000 1.080 871 V CA 1.448 63.477 62.300 -0.453 0.000 1.102 871 V CB -0.544 30.869 31.823 -0.683 0.000 0.705 871 V HN 0.638 nan 8.190 nan 0.000 0.475 872 G N -0.617 108.005 108.800 -0.297 0.000 2.175 872 G HA2 -0.164 3.797 3.960 0.003 0.000 0.182 872 G HA3 -0.164 3.797 3.960 0.003 0.000 0.182 872 G C -0.174 174.611 174.900 -0.191 0.000 1.003 872 G CA -0.234 44.725 45.100 -0.234 0.000 0.666 872 G HN 0.314 nan 8.290 nan 0.000 0.506 873 L N 1.314 122.411 121.223 -0.209 0.000 2.492 873 L HA 0.294 4.636 4.340 0.003 0.000 0.280 873 L C 1.540 178.349 176.870 -0.102 0.000 1.240 873 L CA 0.900 55.639 54.840 -0.169 0.000 0.831 873 L CB 0.427 42.360 42.059 -0.210 0.000 1.100 873 L HN 0.136 nan 8.230 nan 0.000 0.505 874 D N -0.376 119.983 120.400 -0.067 0.000 2.201 874 D HA -0.000 4.641 4.640 0.003 0.000 0.209 874 D C -0.105 176.272 176.300 0.129 0.000 0.961 874 D CA 1.179 55.198 54.000 0.032 0.000 0.861 874 D CB 0.243 41.099 40.800 0.093 0.000 0.997 874 D HN 0.530 nan 8.370 nan 0.000 0.486 875 Y N -1.250 119.073 120.300 0.038 0.000 2.644 875 Y HA 0.640 5.192 4.550 0.003 0.000 0.338 875 Y C -1.080 174.858 175.900 0.062 0.000 1.119 875 Y CA -1.327 56.800 58.100 0.045 0.000 1.060 875 Y CB 1.099 39.578 38.460 0.033 0.000 1.294 875 Y HN -0.347 nan 8.280 nan 0.000 0.472 876 V N 1.053 121.145 119.914 0.296 0.000 2.914 876 V HA 0.694 4.816 4.120 0.003 0.000 0.314 876 V C -0.885 175.404 176.094 0.325 0.000 1.084 876 V CA -0.728 61.695 62.300 0.205 0.000 0.963 876 V CB 1.908 33.812 31.823 0.135 0.000 1.025 876 V HN 0.858 nan 8.190 nan 0.000 0.432 877 S N 1.491 117.345 115.700 0.257 0.000 2.557 877 S HA 0.817 5.288 4.470 0.003 0.000 0.291 877 S C -0.714 173.968 174.600 0.138 0.000 1.116 877 S CA -0.410 57.919 58.200 0.216 0.000 0.992 877 S CB 0.957 64.327 63.200 0.284 0.000 1.028 877 S HN 1.172 nan 8.310 nan 0.000 0.484 878 C N 2.029 121.381 119.300 0.086 0.000 3.323 878 C HA 0.906 5.368 4.460 0.003 0.000 0.324 878 C C 0.364 175.365 174.990 0.019 0.000 1.428 878 C CA -0.850 58.203 59.018 0.058 0.000 1.368 878 C CB 0.659 28.427 27.740 0.045 0.000 1.731 878 C HN 0.883 nan 8.230 nan 0.000 0.455 879 S N 0.928 116.638 115.700 0.017 0.000 2.579 879 S HA 0.361 4.833 4.470 0.003 0.000 0.275 879 S C -1.381 173.159 174.600 -0.100 0.000 1.345 879 S CA 0.037 58.236 58.200 -0.002 0.000 1.031 879 S CB 0.414 63.647 63.200 0.056 0.000 0.892 879 S HN 0.700 nan 8.310 nan 0.000 0.529 880 P HA -0.179 nan 4.420 nan 0.000 0.218 880 P C 0.640 177.479 177.300 -0.769 0.000 1.165 880 P CA 1.723 64.510 63.100 -0.522 0.000 0.922 880 P CB -0.184 31.101 31.700 -0.691 0.000 0.794 881 F N -1.702 118.058 119.950 -0.317 0.000 2.716 881 F HA 0.064 4.592 4.527 0.002 0.000 0.301 881 F C 1.974 177.638 175.800 -0.227 0.000 1.210 881 F CA 0.428 58.232 58.000 -0.327 0.000 1.422 881 F CB -0.278 38.632 39.000 -0.151 0.000 1.073 881 F HN -0.162 nan 8.300 nan 0.000 0.525 882 R N -1.294 119.139 120.500 -0.112 0.000 2.412 882 R HA 0.149 4.491 4.340 0.003 0.000 0.212 882 R C 2.161 178.413 176.300 -0.080 0.000 0.878 882 R CA 0.338 56.408 56.100 -0.049 0.000 1.022 882 R CB -0.674 29.626 30.300 -0.000 0.000 1.265 882 R HN 0.168 nan 8.270 nan 0.000 0.620 883 V N 2.776 122.592 119.914 -0.164 0.000 2.265 883 V HA -0.310 3.812 4.120 0.003 0.000 0.260 883 V C -0.775 175.310 176.094 -0.015 0.000 1.084 883 V CA 2.728 64.957 62.300 -0.118 0.000 1.086 883 V CB -1.487 30.208 31.823 -0.213 0.000 0.704 883 V HN 0.180 nan 8.190 nan 0.000 0.457 884 P HA -0.136 nan 4.420 nan 0.000 0.213 884 P C 1.908 179.301 177.300 0.155 0.000 1.170 884 P CA 1.812 65.028 63.100 0.193 0.000 0.902 884 P CB -0.196 31.675 31.700 0.286 0.000 0.789 885 V N -0.034 119.928 119.914 0.080 0.000 2.324 885 V HA -0.306 3.816 4.120 0.003 0.000 0.250 885 V C 2.467 178.572 176.094 0.018 0.000 1.060 885 V CA 2.421 64.743 62.300 0.036 0.000 1.042 885 V CB -1.822 30.005 31.823 0.008 0.000 0.650 885 V HN 0.124 nan 8.190 nan 0.000 0.450 886 A N -0.176 122.659 122.820 0.025 0.000 1.855 886 A HA -0.155 4.167 4.320 0.003 0.000 0.215 886 A C 2.197 179.803 177.584 0.036 0.000 1.191 886 A CA 1.867 53.920 52.037 0.028 0.000 0.613 886 A CB -0.565 18.457 19.000 0.038 0.000 0.829 886 A HN 0.461 nan 8.150 nan 0.000 0.442 887 I N -0.253 120.346 120.570 0.047 0.000 2.113 887 I HA -0.315 3.857 4.170 0.003 0.000 0.242 887 I C 2.419 178.566 176.117 0.051 0.000 1.064 887 I CA 1.719 63.048 61.300 0.048 0.000 1.320 887 I CB -0.518 37.508 38.000 0.044 0.000 1.028 887 I HN 0.189 nan 8.210 nan 0.000 0.406 888 V N 1.037 120.990 119.914 0.064 0.000 2.220 888 V HA -0.348 3.774 4.120 0.003 0.000 0.246 888 V C 2.734 178.870 176.094 0.070 0.000 1.049 888 V CA 2.183 64.536 62.300 0.089 0.000 1.003 888 V CB -1.172 30.703 31.823 0.086 0.000 0.634 888 V HN 0.550 nan 8.190 nan 0.000 0.444 889 A N -0.261 122.536 122.820 -0.039 0.000 1.997 889 A HA -0.229 4.093 4.320 0.003 0.000 0.221 889 A C 2.326 179.916 177.584 0.009 0.000 1.172 889 A CA 2.585 54.571 52.037 -0.085 0.000 0.645 889 A CB -0.783 18.152 19.000 -0.109 0.000 0.813 889 A HN 0.649 nan 8.150 nan 0.000 0.454 890 A N -0.275 122.558 122.820 0.022 0.000 1.826 890 A HA 0.238 4.560 4.320 0.003 0.000 0.214 890 A C 2.568 180.131 177.584 -0.035 0.000 1.212 890 A CA 2.092 54.131 52.037 0.004 0.000 0.605 890 A CB -1.420 17.602 19.000 0.037 0.000 0.861 890 A HN 1.278 nan 8.150 nan 0.000 0.447 891 A N -1.322 121.505 122.820 0.011 0.000 2.009 891 A HA -0.314 4.008 4.320 0.003 0.000 0.222 891 A C 2.084 179.652 177.584 -0.026 0.000 1.175 891 A CA 2.080 54.116 52.037 -0.002 0.000 0.651 891 A CB -1.173 17.848 19.000 0.036 0.000 0.815 891 A HN 0.741 nan 8.150 nan 0.000 0.459 892 H N -1.071 117.950 119.070 -0.082 0.000 2.353 892 H HA -0.051 4.507 4.556 0.003 0.000 0.300 892 H C 2.522 177.770 175.328 -0.133 0.000 1.090 892 H CA 1.568 57.564 56.048 -0.086 0.000 1.327 892 H CB -0.021 29.694 29.762 -0.080 0.000 1.383 892 H HN 0.549 nan 8.280 nan 0.000 0.508 893 A N -0.219 122.547 122.820 -0.089 0.000 1.898 893 A HA -0.125 4.197 4.320 0.003 0.000 0.214 893 A C 2.674 179.984 177.584 -0.456 0.000 1.183 893 A CA 1.432 53.313 52.037 -0.259 0.000 0.622 893 A CB -0.702 18.093 19.000 -0.341 0.000 0.824 893 A HN 0.386 nan 8.150 nan 0.000 0.444 894 S N -0.203 115.173 115.700 -0.539 0.000 2.370 894 S HA -0.160 4.312 4.470 0.003 0.000 0.226 894 S C 1.932 176.452 174.600 -0.133 0.000 1.033 894 S CA 1.566 59.565 58.200 -0.334 0.000 1.011 894 S CB -0.546 62.579 63.200 -0.125 0.000 0.852 894 S HN 0.468 nan 8.310 nan 0.000 0.457 895 I N 1.054 121.544 120.570 -0.133 0.000 2.163 895 I HA -0.239 3.933 4.170 0.003 0.000 0.243 895 I C 2.604 178.666 176.117 -0.092 0.000 1.085 895 I CA 1.581 62.814 61.300 -0.111 0.000 1.347 895 I CB -0.310 37.596 38.000 -0.158 0.000 1.044 895 I HN 0.313 nan 8.210 nan 0.000 0.408 896 K N 0.263 120.606 120.400 -0.096 0.000 2.032 896 K HA -0.236 4.086 4.320 0.003 0.000 0.209 896 K C 1.860 178.445 176.600 -0.025 0.000 1.048 896 K CA 1.823 58.077 56.287 -0.055 0.000 0.927 896 K CB -0.237 32.242 32.500 -0.035 0.000 0.712 896 K HN 0.223 nan 8.250 nan 0.000 0.441 897 D N 0.490 120.884 120.400 -0.009 0.000 2.092 897 D HA -0.125 4.517 4.640 0.003 0.000 0.193 897 D C 1.946 178.258 176.300 0.020 0.000 0.994 897 D CA 1.206 55.228 54.000 0.037 0.000 0.828 897 D CB -0.014 40.865 40.800 0.132 0.000 0.963 897 D HN 0.033 nan 8.370 nan 0.000 0.450 898 R N -0.026 120.479 120.500 0.009 0.000 2.133 898 R HA -0.113 4.229 4.340 0.003 0.000 0.247 898 R C 2.433 178.724 176.300 -0.015 0.000 1.151 898 R CA 1.380 57.477 56.100 -0.004 0.000 0.971 898 R CB -0.038 30.252 30.300 -0.017 0.000 0.866 898 R HN 0.154 nan 8.270 nan 0.000 0.447 899 R N -0.615 119.872 120.500 -0.022 0.000 2.062 899 R HA 0.053 4.395 4.340 0.003 0.000 0.226 899 R C 2.334 178.625 176.300 -0.015 0.000 1.125 899 R CA 1.147 57.232 56.100 -0.024 0.000 0.966 899 R CB -0.346 29.934 30.300 -0.033 0.000 0.861 899 R HN 0.209 nan 8.270 nan 0.000 0.433 900 A N 1.355 124.170 122.820 -0.008 0.000 1.892 900 A HA -0.166 4.156 4.320 0.003 0.000 0.218 900 A C 2.197 179.780 177.584 -0.002 0.000 1.188 900 A CA 1.910 53.946 52.037 -0.002 0.000 0.631 900 A CB -0.777 18.227 19.000 0.006 0.000 0.822 900 A HN 0.403 nan 8.150 nan 0.000 0.447 901 A N -1.680 121.139 122.820 -0.001 0.000 2.252 901 A HA 0.256 4.578 4.320 0.003 0.000 0.207 901 A C 1.562 179.141 177.584 -0.008 0.000 1.194 901 A CA 0.740 52.775 52.037 -0.003 0.000 0.809 901 A CB -0.351 18.648 19.000 -0.001 0.000 0.814 901 A HN 0.420 nan 8.150 nan 0.000 0.482 902 M N -0.734 118.860 119.600 -0.010 0.000 2.419 902 M HA 0.234 4.716 4.480 0.003 0.000 0.252 902 M C -0.316 175.976 176.300 -0.013 0.000 1.143 902 M CA 0.704 55.996 55.300 -0.014 0.000 0.985 902 M CB -0.414 32.175 32.600 -0.018 0.000 1.489 902 M HN 0.218 nan 8.290 nan 0.000 0.484 903 K N 0.000 120.394 120.400 -0.010 0.000 2.780 903 K HA 0.000 4.322 4.320 0.003 0.000 0.191 903 K CA 0.000 56.282 56.287 -0.009 0.000 0.838 903 K CB 0.000 32.495 32.500 -0.009 0.000 1.064 903 K HN 0.000 nan 8.250 nan 0.000 0.543