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 3f93_1_A DATA FIRST_RESID 5 DATA SEQUENCE QVNWPYVNTK LKRDPAVEAQ IEKLLAKMTI EQKVAQMIQP EIGYLTVEQM DATA SEQUENCE RKYGFGSYLN GGNTAPYGNK RADQATWLKY ADEMYLAAMD STLDGIAIPT DATA SEQUENCE VWGTDAMHGH SNVYGATLFP HNIGLGAARD TDLIKRIGQA TAKEVAATGI DATA SEQUENCE EWSFAPTVAV VRDDRWGRTY ESYSEDPDLV KRYAGEMVTG IQGDVGADFL DATA SEQUENCE KGSNRIATAK HFVGDGGTER GVDRGNTLID EKGLRDIHSA GYFSAINQGV DATA SEQUENCE QSVMASFNSW NGKRVHGDKH LLTDVLKNQL GFDGFVVSDW NAHKFVEGcD DATA SEQUENCE LEQcAQAINA GVDVIMVPEH FEAFYHNTVK QVKAGVIAES RINDAVRRFL DATA SEQUENCE RAKIRWGVFT KSKPSARPES QHPQWLGAAE HRTLAREAVR KSLVLLKNNE DATA SEQUENCE SILPIKASSR ILVAGKGANA INMQAGGWSV SWQGTDNTNS DFPNATSIFS DATA SEQUENCE GLQSQVTKAG GKITLSESGE YTSKPDVAIV VIGEEPYAEW FGDIELLEFQ DATA SEQUENCE HETKHALALL KQLKADNIPV VTVFLSGRPL WVNKELNASD AFVAAWLPGS DATA SEQUENCE EGEGVADVLL TNKQGKTQFD FTGKLSFSWP KYDDQFTLNL NDADYDPLFA DATA SEQUENCE YGYGLTYQDN INVPVLSEKT SPXXXXXXXS HPLFVRSLAK NMTWQLADTS DATA SEQUENCE TQKVLASGAS ATSGDKQSLL MQSVNLSYQE DGRGFNWRAQ AALSLSYLEP DATA SEQUENCE TPLDSKFSTG YLELKMRIDK APEQGANLQV McSESNcLRD IDFSSFSQLM DATA SEQUENCE ADKSWHTLAI PLHcDXXXXX XQPITDALRI TSQNLSLAIA DVALTIKPSD DATA SEQUENCE DSISLTcAK 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.092 176.000 0.154 0.000 1.003 5 Q CA 0.000 55.880 55.803 0.128 0.000 1.022 5 Q CB 0.000 28.804 28.738 0.110 0.000 1.108 6 V N 3.233 123.287 119.914 0.233 0.000 2.472 6 V HA 0.377 4.480 4.120 -0.029 0.000 0.290 6 V C -0.528 175.723 176.094 0.261 0.000 1.037 6 V CA -0.346 62.075 62.300 0.201 0.000 0.908 6 V CB 1.345 33.288 31.823 0.200 0.000 0.985 6 V HN 0.462 nan 8.190 nan 0.000 0.454 7 N N 4.364 123.139 118.700 0.124 0.000 2.437 7 N HA 0.188 4.910 4.740 -0.029 0.000 0.243 7 N C -1.291 174.277 175.510 0.096 0.000 1.041 7 N CA -0.564 52.578 53.050 0.154 0.000 0.940 7 N CB 0.494 39.031 38.487 0.083 0.000 1.133 7 N HN 0.560 nan 8.380 nan 0.000 0.506 8 W N 4.860 126.196 121.300 0.059 0.000 2.315 8 W HA 0.367 5.009 4.660 -0.029 0.000 0.316 8 W C -1.795 174.720 176.519 -0.007 0.000 1.211 8 W CA -1.786 55.586 57.345 0.044 0.000 1.201 8 W CB 0.579 30.091 29.460 0.086 0.000 1.184 8 W HN 0.423 nan 8.180 nan 0.000 0.544 9 P HA -0.035 nan 4.420 nan 0.000 0.275 9 P C -1.146 176.182 177.300 0.047 0.000 1.227 9 P CA -0.302 62.780 63.100 -0.031 0.000 0.781 9 P CB 0.675 32.213 31.700 -0.270 0.000 0.906 10 Y N 3.507 123.801 120.300 -0.010 0.000 2.531 10 Y HA 0.147 4.679 4.550 -0.030 0.000 0.347 10 Y C 1.248 177.150 175.900 0.002 0.000 1.024 10 Y CA 0.153 58.262 58.100 0.015 0.000 1.306 10 Y CB 0.255 38.725 38.460 0.015 0.000 1.149 10 Y HN 0.178 nan 8.280 nan 0.000 0.527 11 V N 1.689 121.374 119.914 -0.381 0.000 3.565 11 V HA 0.114 4.216 4.120 -0.029 0.000 0.260 11 V C 0.860 176.781 176.094 -0.289 0.000 1.231 11 V CA 0.551 62.716 62.300 -0.225 0.000 1.100 11 V CB -0.153 31.642 31.823 -0.046 0.000 0.807 11 V HN 0.706 nan 8.190 nan 0.000 0.454 12 N N 2.756 121.082 118.700 -0.623 0.000 3.210 12 N HA 0.041 4.763 4.740 -0.029 0.000 0.314 12 N C 1.242 176.673 175.510 -0.131 0.000 1.291 12 N CA 0.898 53.731 53.050 -0.362 0.000 1.202 12 N CB -0.296 37.986 38.487 -0.341 0.000 1.475 12 N HN 0.746 nan 8.380 nan 0.000 0.554 13 T N -3.174 111.364 114.554 -0.027 0.000 3.057 13 T HA 0.113 4.445 4.350 -0.029 0.000 0.254 13 T C 1.665 176.390 174.700 0.043 0.000 1.094 13 T CA 0.386 62.544 62.100 0.097 0.000 1.088 13 T CB 0.243 69.170 68.868 0.099 0.000 0.934 13 T HN 0.069 nan 8.240 nan 0.000 0.497 14 K N 0.472 120.871 120.400 -0.001 0.000 2.108 14 K HA 0.362 4.665 4.320 -0.029 0.000 0.204 14 K C 0.568 177.127 176.600 -0.068 0.000 1.036 14 K CA -0.059 56.211 56.287 -0.027 0.000 0.965 14 K CB -0.460 32.021 32.500 -0.031 0.000 0.804 14 K HN 0.322 nan 8.250 nan 0.000 0.454 15 L N 2.444 123.606 121.223 -0.101 0.000 2.361 15 L HA 0.203 4.526 4.340 -0.029 0.000 0.278 15 L C -1.043 175.757 176.870 -0.117 0.000 1.113 15 L CA 0.132 54.861 54.840 -0.185 0.000 0.849 15 L CB 0.487 42.401 42.059 -0.243 0.000 1.155 15 L HN 0.008 nan 8.230 nan 0.000 0.452 16 K N 5.264 125.592 120.400 -0.120 0.000 2.118 16 K HA 0.434 4.736 4.320 -0.029 0.000 0.254 16 K C -0.304 176.255 176.600 -0.069 0.000 0.961 16 K CA -0.661 55.586 56.287 -0.067 0.000 0.876 16 K CB 1.227 33.699 32.500 -0.045 0.000 1.077 16 K HN 0.611 nan 8.250 nan 0.000 0.440 17 R N 1.084 121.563 120.500 -0.035 0.000 2.623 17 R HA 0.006 4.328 4.340 -0.029 0.000 0.271 17 R C 0.200 176.495 176.300 -0.009 0.000 1.043 17 R CA -0.066 56.023 56.100 -0.017 0.000 1.083 17 R CB 0.347 30.642 30.300 -0.007 0.000 0.974 17 R HN 0.487 nan 8.270 nan 0.000 0.436 18 D N 4.078 124.484 120.400 0.010 0.000 2.317 18 D HA 0.058 4.681 4.640 -0.029 0.000 0.252 18 D C -1.446 174.862 176.300 0.013 0.000 1.174 18 D CA -2.073 51.937 54.000 0.017 0.000 0.866 18 D CB 1.416 42.241 40.800 0.041 0.000 1.127 18 D HN 0.258 nan 8.370 nan 0.000 0.467 19 P HA -0.125 nan 4.420 nan 0.000 0.216 19 P C 1.000 178.301 177.300 0.003 0.000 1.153 19 P CA 0.929 64.031 63.100 0.002 0.000 0.848 19 P CB 0.159 31.858 31.700 -0.001 0.000 0.787 20 A N -0.377 122.446 122.820 0.005 0.000 2.067 20 A HA -0.050 4.252 4.320 -0.029 0.000 0.219 20 A C 2.385 179.972 177.584 0.006 0.000 1.158 20 A CA 1.213 53.251 52.037 0.002 0.000 0.661 20 A CB -1.464 17.538 19.000 0.003 0.000 0.801 20 A HN 0.073 nan 8.150 nan 0.000 0.452 21 V N -0.032 119.894 119.914 0.020 0.000 2.407 21 V HA -0.135 3.967 4.120 -0.029 0.000 0.245 21 V C 2.470 178.575 176.094 0.017 0.000 1.041 21 V CA 1.800 64.118 62.300 0.030 0.000 1.040 21 V CB -0.521 31.334 31.823 0.053 0.000 0.671 21 V HN 0.485 nan 8.190 nan 0.000 0.455 22 E N 0.683 120.890 120.200 0.011 0.000 2.077 22 E HA -0.195 4.138 4.350 -0.029 0.000 0.193 22 E C 2.380 178.977 176.600 -0.004 0.000 0.989 22 E CA 1.515 57.919 56.400 0.005 0.000 0.800 22 E CB -0.659 29.043 29.700 0.003 0.000 0.746 22 E HN 0.546 nan 8.360 nan 0.000 0.452 23 A N 1.520 124.335 122.820 -0.009 0.000 1.892 23 A HA -0.293 4.010 4.320 -0.029 0.000 0.218 23 A C 2.197 179.761 177.584 -0.033 0.000 1.188 23 A CA 1.993 54.018 52.037 -0.020 0.000 0.631 23 A CB -0.666 18.321 19.000 -0.022 0.000 0.822 23 A HN 0.264 nan 8.150 nan 0.000 0.447 24 Q N -0.631 119.144 119.800 -0.042 0.000 2.050 24 Q HA -0.131 4.192 4.340 -0.029 0.000 0.202 24 Q C 2.124 178.091 176.000 -0.055 0.000 0.980 24 Q CA 1.545 57.301 55.803 -0.078 0.000 0.840 24 Q CB -0.382 28.299 28.738 -0.095 0.000 0.898 24 Q HN 0.748 nan 8.270 nan 0.000 0.424 25 I N 1.164 121.726 120.570 -0.014 0.000 2.074 25 I HA -0.349 3.804 4.170 -0.029 0.000 0.238 25 I C 2.267 178.383 176.117 -0.002 0.000 1.037 25 I CA 1.309 62.613 61.300 0.005 0.000 1.301 25 I CB -0.426 37.581 38.000 0.013 0.000 1.016 25 I HN 0.219 nan 8.210 nan 0.000 0.400 26 E N 0.664 120.861 120.200 -0.007 0.000 2.118 26 E HA -0.254 4.079 4.350 -0.029 0.000 0.195 26 E C 2.024 178.615 176.600 -0.014 0.000 0.992 26 E CA 1.123 57.520 56.400 -0.007 0.000 0.804 26 E CB -0.374 29.322 29.700 -0.007 0.000 0.741 26 E HN 0.480 nan 8.360 nan 0.000 0.458 27 K N 0.315 120.697 120.400 -0.030 0.000 2.062 27 K HA -0.110 4.192 4.320 -0.029 0.000 0.205 27 K C 2.069 178.646 176.600 -0.038 0.000 1.051 27 K CA 0.454 56.717 56.287 -0.041 0.000 0.941 27 K CB 0.054 32.515 32.500 -0.064 0.000 0.719 27 K HN 0.005 nan 8.250 nan 0.000 0.440 28 L N 1.412 122.611 121.223 -0.040 0.000 1.976 28 L HA -0.171 4.151 4.340 -0.029 0.000 0.209 28 L C 2.431 179.306 176.870 0.007 0.000 1.071 28 L CA 1.303 56.133 54.840 -0.016 0.000 0.746 28 L CB -1.226 40.840 42.059 0.011 0.000 0.890 28 L HN 0.223 nan 8.230 nan 0.000 0.432 29 L N -0.128 121.103 121.223 0.014 0.000 2.127 29 L HA -0.172 4.151 4.340 -0.029 0.000 0.211 29 L C 2.505 179.385 176.870 0.016 0.000 1.089 29 L CA 1.876 56.729 54.840 0.023 0.000 0.757 29 L CB -0.768 41.306 42.059 0.024 0.000 0.899 29 L HN 0.271 nan 8.230 nan 0.000 0.434 30 A N -0.200 122.623 122.820 0.006 0.000 1.933 30 A HA -0.227 4.075 4.320 -0.029 0.000 0.218 30 A C 2.250 179.837 177.584 0.006 0.000 1.175 30 A CA 1.892 53.931 52.037 0.004 0.000 0.628 30 A CB -0.561 18.438 19.000 -0.003 0.000 0.814 30 A HN 0.610 nan 8.150 nan 0.000 0.444 31 K N -1.167 119.236 120.400 0.005 0.000 2.379 31 K HA 0.193 4.495 4.320 -0.029 0.000 0.194 31 K C 0.353 176.963 176.600 0.016 0.000 1.031 31 K CA -0.045 56.246 56.287 0.007 0.000 1.037 31 K CB -0.103 32.397 32.500 0.001 0.000 0.824 31 K HN 0.447 nan 8.250 nan 0.000 0.516 32 M N 3.070 122.684 119.600 0.023 0.000 2.233 32 M HA 0.044 4.507 4.480 -0.029 0.000 0.350 32 M C 0.238 176.559 176.300 0.034 0.000 1.176 32 M CA -0.220 55.101 55.300 0.034 0.000 1.150 32 M CB 1.386 34.014 32.600 0.046 0.000 1.530 32 M HN 0.141 nan 8.290 nan 0.000 0.459 33 T N -0.873 113.705 114.554 0.040 0.000 2.849 33 T HA 0.365 4.697 4.350 -0.029 0.000 0.284 33 T C 1.248 175.976 174.700 0.046 0.000 1.004 33 T CA -0.812 61.312 62.100 0.039 0.000 1.021 33 T CB 0.774 69.668 68.868 0.043 0.000 1.013 33 T HN 0.604 nan 8.240 nan 0.000 0.527 34 I N 0.457 121.047 120.570 0.033 0.000 2.248 34 I HA -0.216 3.936 4.170 -0.029 0.000 0.248 34 I C 2.534 178.672 176.117 0.034 0.000 1.107 34 I CA 1.565 62.880 61.300 0.024 0.000 1.373 34 I CB -0.507 37.493 38.000 0.000 0.000 1.055 34 I HN 0.703 nan 8.210 nan 0.000 0.418 35 E N 0.689 120.923 120.200 0.057 0.000 2.072 35 E HA -0.228 4.104 4.350 -0.029 0.000 0.191 35 E C 2.217 178.952 176.600 0.226 0.000 0.985 35 E CA 1.139 57.616 56.400 0.128 0.000 0.801 35 E CB -0.168 29.643 29.700 0.185 0.000 0.750 35 E HN 0.505 nan 8.360 nan 0.000 0.452 36 Q N 0.294 120.182 119.800 0.147 0.000 2.119 36 Q HA -0.080 4.242 4.340 -0.029 0.000 0.201 36 Q C 1.970 178.055 176.000 0.141 0.000 0.972 36 Q CA 1.076 56.958 55.803 0.131 0.000 0.847 36 Q CB -0.017 28.769 28.738 0.081 0.000 0.903 36 Q HN 0.146 nan 8.270 nan 0.000 0.433 37 K N 0.040 120.511 120.400 0.119 0.000 2.002 37 K HA -0.132 4.170 4.320 -0.029 0.000 0.209 37 K C 2.090 178.778 176.600 0.146 0.000 1.048 37 K CA 1.456 57.811 56.287 0.114 0.000 0.930 37 K CB -0.195 32.352 32.500 0.078 0.000 0.714 37 K HN 0.016 nan 8.250 nan 0.000 0.438 38 V N 1.479 121.482 119.914 0.147 0.000 2.407 38 V HA -0.250 3.852 4.120 -0.029 0.000 0.248 38 V C 2.320 178.618 176.094 0.340 0.000 1.055 38 V CA 1.923 64.327 62.300 0.172 0.000 1.049 38 V CB -0.686 31.145 31.823 0.014 0.000 0.662 38 V HN 0.379 nan 8.190 nan 0.000 0.455 39 A N -0.837 122.249 122.820 0.443 0.000 1.986 39 A HA -0.281 4.022 4.320 -0.029 0.000 0.220 39 A C 2.140 179.895 177.584 0.285 0.000 1.171 39 A CA 1.671 53.911 52.037 0.338 0.000 0.640 39 A CB -0.421 18.644 19.000 0.107 0.000 0.811 39 A HN 0.535 nan 8.150 nan 0.000 0.451 40 Q N -0.898 119.045 119.800 0.239 0.000 2.224 40 Q HA -0.026 4.297 4.340 -0.029 0.000 0.203 40 Q C 1.845 177.942 176.000 0.162 0.000 0.970 40 Q CA 1.356 57.315 55.803 0.261 0.000 0.865 40 Q CB -0.316 28.587 28.738 0.275 0.000 0.922 40 Q HN 0.825 nan 8.270 nan 0.000 0.445 41 M N -0.469 119.211 119.600 0.133 0.000 2.502 41 M HA 0.089 4.551 4.480 -0.029 0.000 0.243 41 M C -0.017 176.308 176.300 0.042 0.000 1.130 41 M CA 0.162 55.481 55.300 0.031 0.000 1.055 41 M CB 0.652 33.308 32.600 0.092 0.000 1.457 41 M HN -0.110 nan 8.290 nan 0.000 0.488 42 I N 1.214 121.871 120.570 0.145 0.000 2.359 42 I HA 0.249 4.402 4.170 -0.029 0.000 0.294 42 I C -0.072 176.000 176.117 -0.075 0.000 0.987 42 I CA -0.146 61.201 61.300 0.078 0.000 1.225 42 I CB 1.206 39.367 38.000 0.269 0.000 1.366 42 I HN 0.175 nan 8.210 nan 0.000 0.466 43 Q N 7.934 127.616 119.800 -0.196 0.000 2.464 43 Q HA 0.436 4.759 4.340 -0.029 0.000 0.256 43 Q C -2.637 173.162 176.000 -0.335 0.000 1.020 43 Q CA -1.519 54.172 55.803 -0.188 0.000 0.716 43 Q CB 2.237 30.967 28.738 -0.013 0.000 1.230 43 Q HN 0.307 nan 8.270 nan 0.000 0.494 44 P HA 0.137 nan 4.420 nan 0.000 0.277 44 P C -0.857 176.304 177.300 -0.233 0.000 1.276 44 P CA -0.292 62.355 63.100 -0.755 0.000 0.788 44 P CB 0.762 31.382 31.700 -1.800 0.000 1.114 45 E N 0.340 120.511 120.200 -0.049 0.000 2.288 45 E HA 0.184 4.516 4.350 -0.029 0.000 0.268 45 E C 1.092 177.843 176.600 0.252 0.000 0.885 45 E CA -0.641 55.877 56.400 0.196 0.000 0.767 45 E CB 1.654 31.514 29.700 0.267 0.000 1.220 45 E HN 0.428 nan 8.360 nan 0.000 0.427 46 I N 0.692 121.427 120.570 0.274 0.000 2.335 46 I HA -0.045 4.107 4.170 -0.029 0.000 0.251 46 I C 1.596 177.773 176.117 0.100 0.000 1.129 46 I CA 1.707 63.129 61.300 0.204 0.000 1.402 46 I CB -0.391 37.681 38.000 0.121 0.000 1.069 46 I HN 0.486 nan 8.210 nan 0.000 0.424 47 G N 0.202 109.020 108.800 0.028 0.000 2.470 47 G HA2 -0.191 3.751 3.960 -0.029 0.000 0.220 47 G HA3 -0.191 3.751 3.960 -0.029 0.000 0.220 47 G C 1.140 175.804 174.900 -0.394 0.000 1.121 47 G CA 0.867 45.819 45.100 -0.246 0.000 0.766 47 G HN 0.601 nan 8.290 nan 0.000 0.553 48 Y N -1.609 118.787 120.300 0.159 0.000 2.467 48 Y HA 0.415 4.946 4.550 -0.032 0.000 0.259 48 Y C 0.706 176.766 175.900 0.266 0.000 1.084 48 Y CA -1.011 57.211 58.100 0.204 0.000 1.275 48 Y CB 0.311 38.926 38.460 0.258 0.000 1.208 48 Y HN 0.052 nan 8.280 nan 0.000 0.511 49 L N 2.398 123.788 121.223 0.279 0.000 2.319 49 L HA 0.349 4.672 4.340 -0.029 0.000 0.280 49 L C 0.473 177.401 176.870 0.097 0.000 1.099 49 L CA -0.211 54.701 54.840 0.121 0.000 0.828 49 L CB 0.473 42.441 42.059 -0.152 0.000 1.150 49 L HN 0.214 nan 8.230 nan 0.000 0.442 50 T N 1.310 115.936 114.554 0.121 0.000 2.927 50 T HA 0.372 4.705 4.350 -0.029 0.000 0.281 50 T C 1.320 175.993 174.700 -0.045 0.000 0.998 50 T CA -0.514 61.612 62.100 0.043 0.000 1.019 50 T CB 1.233 70.149 68.868 0.079 0.000 1.061 50 T HN 0.330 nan 8.240 nan 0.000 0.518 51 V N 1.192 121.040 119.914 -0.111 0.000 2.332 51 V HA -0.123 3.979 4.120 -0.029 0.000 0.248 51 V C 2.867 178.906 176.094 -0.091 0.000 1.055 51 V CA 1.806 64.009 62.300 -0.162 0.000 1.038 51 V CB -0.924 30.800 31.823 -0.165 0.000 0.651 51 V HN 0.828 nan 8.190 nan 0.000 0.450 52 E N 0.056 120.232 120.200 -0.041 0.000 2.085 52 E HA -0.233 4.099 4.350 -0.029 0.000 0.194 52 E C 2.291 178.887 176.600 -0.007 0.000 0.994 52 E CA 1.355 57.738 56.400 -0.028 0.000 0.801 52 E CB -0.378 29.318 29.700 -0.006 0.000 0.743 52 E HN 0.690 nan 8.360 nan 0.000 0.453 53 Q N -0.459 119.395 119.800 0.090 0.000 2.050 53 Q HA -0.155 4.167 4.340 -0.029 0.000 0.202 53 Q C 2.160 178.265 176.000 0.175 0.000 0.980 53 Q CA 1.674 57.629 55.803 0.252 0.000 0.840 53 Q CB -0.207 28.807 28.738 0.460 0.000 0.898 53 Q HN 0.165 nan 8.270 nan 0.000 0.424 54 M N 0.827 120.468 119.600 0.069 0.000 2.108 54 M HA -0.213 4.249 4.480 -0.029 0.000 0.261 54 M C 1.954 178.174 176.300 -0.134 0.000 1.066 54 M CA 1.761 57.043 55.300 -0.030 0.000 1.107 54 M CB -0.225 32.291 32.600 -0.140 0.000 1.356 54 M HN 0.010 nan 8.290 nan 0.000 0.406 55 R N -0.261 120.161 120.500 -0.129 0.000 2.092 55 R HA -0.173 4.150 4.340 -0.029 0.000 0.231 55 R C 2.297 178.474 176.300 -0.205 0.000 1.119 55 R CA 1.824 57.834 56.100 -0.149 0.000 0.970 55 R CB -0.366 29.863 30.300 -0.118 0.000 0.864 55 R HN 0.493 nan 8.270 nan 0.000 0.440 56 K N -0.847 119.395 120.400 -0.265 0.000 2.148 56 K HA -0.146 4.156 4.320 -0.029 0.000 0.204 56 K C 0.778 176.977 176.600 -0.668 0.000 1.050 56 K CA 1.421 57.428 56.287 -0.467 0.000 0.942 56 K CB 0.095 32.236 32.500 -0.599 0.000 0.724 56 K HN 0.268 nan 8.250 nan 0.000 0.446 57 Y N -1.228 118.793 120.300 -0.465 0.000 2.467 57 Y HA 0.291 4.833 4.550 -0.013 0.000 0.259 57 Y C 0.857 176.344 175.900 -0.689 0.000 1.084 57 Y CA 0.059 57.696 58.100 -0.771 0.000 1.275 57 Y CB 0.894 38.436 38.460 -1.531 0.000 1.208 57 Y HN 0.133 nan 8.280 nan 0.000 0.511 58 G N 1.623 110.184 108.800 -0.397 0.000 2.370 58 G HA2 -0.311 3.631 3.960 -0.029 0.000 0.293 58 G HA3 -0.311 3.631 3.960 -0.029 0.000 0.293 58 G C -0.314 174.484 174.900 -0.170 0.000 0.992 58 G CA -0.279 44.685 45.100 -0.227 0.000 1.247 58 G HN 0.115 nan 8.290 nan 0.000 0.505 59 F N -0.137 119.807 119.950 -0.010 0.000 2.589 59 F HA 0.373 4.885 4.527 -0.025 0.000 0.352 59 F C 1.990 177.847 175.800 0.096 0.000 1.168 59 F CA 0.976 58.981 58.000 0.008 0.000 1.353 59 F CB 0.417 39.379 39.000 -0.064 0.000 1.116 59 F HN 0.144 nan 8.300 nan 0.000 0.608 60 G N 0.295 109.320 108.800 0.374 0.000 2.408 60 G HA2 0.111 4.053 3.960 -0.029 0.000 0.217 60 G HA3 0.111 4.053 3.960 -0.029 0.000 0.217 60 G C 0.156 175.367 174.900 0.518 0.000 1.150 60 G CA 0.942 46.311 45.100 0.448 0.000 0.776 60 G HN 0.727 nan 8.290 nan 0.000 0.542 61 S N -1.701 114.260 115.700 0.435 0.000 2.656 61 S HA 0.695 5.147 4.470 -0.029 0.000 0.273 61 S C -1.056 173.798 174.600 0.423 0.000 1.168 61 S CA -0.865 57.628 58.200 0.489 0.000 0.817 61 S CB 1.730 65.321 63.200 0.652 0.000 1.146 61 S HN 0.879 nan 8.310 nan 0.000 0.475 62 Y N -0.816 119.610 120.300 0.210 0.000 2.625 62 Y HA 0.878 5.415 4.550 -0.022 0.000 0.338 62 Y C -1.674 174.363 175.900 0.229 0.000 1.123 62 Y CA -1.657 56.492 58.100 0.081 0.000 1.046 62 Y CB 0.660 39.085 38.460 -0.059 0.000 1.299 62 Y HN 0.758 nan 8.280 nan 0.000 0.464 63 L N 2.563 123.930 121.223 0.240 0.000 2.322 63 L HA 0.493 4.815 4.340 -0.029 0.000 0.281 63 L C -0.658 176.468 176.870 0.426 0.000 1.014 63 L CA -0.525 54.471 54.840 0.261 0.000 0.815 63 L CB 1.594 43.807 42.059 0.257 0.000 1.247 63 L HN 0.901 nan 8.230 nan 0.000 0.421 64 N N 3.610 122.548 118.700 0.397 0.000 2.918 64 N HA 0.431 5.153 4.740 -0.029 0.000 0.247 64 N C -0.647 175.018 175.510 0.258 0.000 1.117 64 N CA -0.189 53.082 53.050 0.368 0.000 1.005 64 N CB 0.402 39.008 38.487 0.198 0.000 1.297 64 N HN 0.841 nan 8.380 nan 0.000 0.513 65 G N 0.024 109.045 108.800 0.368 0.000 2.530 65 G HA2 0.595 4.537 3.960 -0.029 0.000 0.316 65 G HA3 0.595 4.537 3.960 -0.029 0.000 0.316 65 G C 0.375 175.442 174.900 0.278 0.000 1.298 65 G CA -0.553 44.774 45.100 0.379 0.000 0.948 65 G HN 0.462 nan 8.290 nan 0.000 0.486 66 G N 0.838 109.723 108.800 0.142 0.000 2.665 66 G HA2 -0.190 3.752 3.960 -0.029 0.000 0.220 66 G HA3 -0.190 3.752 3.960 -0.029 0.000 0.220 66 G C 0.356 175.303 174.900 0.079 0.000 1.002 66 G CA -0.434 44.787 45.100 0.201 0.000 0.893 66 G HN 0.657 nan 8.290 nan 0.000 0.586 67 N N 0.687 119.336 118.700 -0.085 0.000 2.523 67 N HA 0.186 4.909 4.740 -0.029 0.000 0.208 67 N C 0.308 175.834 175.510 0.027 0.000 1.313 67 N CA 0.706 53.750 53.050 -0.010 0.000 0.853 67 N CB 0.247 38.699 38.487 -0.058 0.000 1.090 67 N HN 0.280 nan 8.380 nan 0.000 0.463 68 T N -0.537 114.063 114.554 0.077 0.000 2.924 68 T HA 0.750 5.082 4.350 -0.029 0.000 0.291 68 T C -1.382 173.355 174.700 0.061 0.000 1.045 68 T CA -0.617 61.523 62.100 0.068 0.000 1.015 68 T CB 1.538 70.472 68.868 0.110 0.000 1.103 68 T HN 0.039 nan 8.240 nan 0.000 0.496 69 A N 3.785 126.587 122.820 -0.030 0.000 2.475 69 A HA 0.857 5.160 4.320 -0.029 0.000 0.301 69 A C -2.888 174.496 177.584 -0.334 0.000 1.059 69 A CA -1.814 50.136 52.037 -0.147 0.000 0.710 69 A CB 1.395 20.332 19.000 -0.105 0.000 1.288 69 A HN 0.599 nan 8.150 nan 0.000 0.408 70 P HA 0.198 nan 4.420 nan 0.000 0.267 70 P C -0.646 176.326 177.300 -0.546 0.000 1.205 70 P CA 0.929 63.455 63.100 -0.957 0.000 0.765 70 P CB 0.001 30.937 31.700 -1.274 0.000 0.828 71 Y N 1.952 122.118 120.300 -0.223 0.000 4.929 71 Y HA -0.231 4.299 4.550 -0.033 0.000 0.253 71 Y C 1.536 177.381 175.900 -0.093 0.000 0.946 71 Y CA 1.561 59.618 58.100 -0.072 0.000 1.905 71 Y CB -2.768 35.661 38.460 -0.052 0.000 1.400 71 Y HN 0.768 nan 8.280 nan 0.000 0.531 72 G N 0.533 109.319 108.800 -0.024 0.000 2.171 72 G HA2 -0.347 3.595 3.960 -0.029 0.000 0.238 72 G HA3 -0.347 3.595 3.960 -0.029 0.000 0.238 72 G C -0.255 174.619 174.900 -0.044 0.000 1.039 72 G CA 0.151 45.229 45.100 -0.037 0.000 0.759 72 G HN 0.776 nan 8.290 nan 0.000 0.501 73 N N -0.365 118.294 118.700 -0.069 0.000 2.417 73 N HA 0.514 5.237 4.740 -0.029 0.000 0.274 73 N C 1.556 177.000 175.510 -0.110 0.000 0.987 73 N CA -0.770 52.233 53.050 -0.078 0.000 0.912 73 N CB 0.540 38.998 38.487 -0.048 0.000 1.177 73 N HN 0.154 nan 8.380 nan 0.000 0.490 74 K N 2.099 122.416 120.400 -0.139 0.000 1.963 74 K HA -0.096 4.206 4.320 -0.029 0.000 0.216 74 K C 0.099 176.507 176.600 -0.320 0.000 1.045 74 K CA 1.214 57.381 56.287 -0.201 0.000 0.954 74 K CB -0.063 32.280 32.500 -0.262 0.000 0.732 74 K HN 0.610 nan 8.250 nan 0.000 0.442 75 R N 1.227 121.424 120.500 -0.506 0.000 2.296 75 R HA 0.480 4.802 4.340 -0.029 0.000 0.327 75 R C -1.053 175.171 176.300 -0.127 0.000 1.137 75 R CA -0.193 55.527 56.100 -0.633 0.000 1.020 75 R CB 0.910 30.691 30.300 -0.864 0.000 1.110 75 R HN 0.020 nan 8.270 nan 0.000 0.499 76 A N 3.936 126.808 122.820 0.087 0.000 2.335 76 A HA 0.316 4.618 4.320 -0.029 0.000 0.304 76 A C -0.619 177.169 177.584 0.340 0.000 1.118 76 A CA -1.027 51.105 52.037 0.158 0.000 0.757 76 A CB 1.019 20.030 19.000 0.019 0.000 1.188 76 A HN 0.794 nan 8.150 nan 0.000 0.460 77 D N 1.809 122.365 120.400 0.260 0.000 2.358 77 D HA 0.005 4.627 4.640 -0.029 0.000 0.244 77 D C 1.063 177.570 176.300 0.346 0.000 1.163 77 D CA -0.362 53.794 54.000 0.260 0.000 0.945 77 D CB 0.521 41.421 40.800 0.166 0.000 1.152 77 D HN 0.664 nan 8.370 nan 0.000 0.451 78 Q N 0.443 120.394 119.800 0.253 0.000 2.118 78 Q HA -0.323 4.000 4.340 -0.029 0.000 0.211 78 Q C 1.911 178.085 176.000 0.289 0.000 0.998 78 Q CA 2.584 58.533 55.803 0.244 0.000 0.872 78 Q CB -0.413 28.401 28.738 0.127 0.000 0.925 78 Q HN 0.644 nan 8.270 nan 0.000 0.414 79 A N 0.109 123.058 122.820 0.214 0.000 1.940 79 A HA -0.241 4.062 4.320 -0.029 0.000 0.219 79 A C 2.247 179.975 177.584 0.239 0.000 1.176 79 A CA 2.356 54.506 52.037 0.188 0.000 0.631 79 A CB -1.188 17.890 19.000 0.130 0.000 0.814 79 A HN 0.747 nan 8.150 nan 0.000 0.446 80 T N -4.950 109.762 114.554 0.264 0.000 2.896 80 T HA -0.160 4.172 4.350 -0.029 0.000 0.263 80 T C 1.621 176.487 174.700 0.276 0.000 1.050 80 T CA 1.107 63.369 62.100 0.269 0.000 1.140 80 T CB -0.529 68.464 68.868 0.209 0.000 0.877 80 T HN 0.553 nan 8.240 nan 0.000 0.457 81 W N 1.402 122.839 121.300 0.228 0.000 2.374 81 W HA 0.257 4.901 4.660 -0.028 0.000 0.288 81 W C 2.060 178.799 176.519 0.367 0.000 1.218 81 W CA 0.133 57.644 57.345 0.276 0.000 1.245 81 W CB -0.471 29.081 29.460 0.154 0.000 1.126 81 W HN 0.199 nan 8.180 nan 0.000 0.545 82 L N 0.534 122.047 121.223 0.482 0.000 2.549 82 L HA -0.172 4.151 4.340 -0.029 0.000 0.230 82 L C 2.147 179.206 176.870 0.315 0.000 1.162 82 L CA 1.142 56.200 54.840 0.363 0.000 0.834 82 L CB -0.405 41.800 42.059 0.244 0.000 0.947 82 L HN -0.016 nan 8.230 nan 0.000 0.452 83 K N -1.991 118.604 120.400 0.326 0.000 3.010 83 K HA -0.051 4.251 4.320 -0.029 0.000 0.205 83 K C 1.600 178.348 176.600 0.246 0.000 1.704 83 K CA 0.017 56.460 56.287 0.260 0.000 1.297 83 K CB -0.637 32.043 32.500 0.299 0.000 2.032 83 K HN -0.088 nan 8.250 nan 0.000 0.573 84 Y N 1.448 121.814 120.300 0.111 0.000 2.145 84 Y HA 0.003 4.540 4.550 -0.021 0.000 0.286 84 Y C 1.994 177.852 175.900 -0.071 0.000 1.145 84 Y CA 2.789 60.826 58.100 -0.105 0.000 1.148 84 Y CB -0.307 37.936 38.460 -0.362 0.000 0.981 84 Y HN 0.214 nan 8.280 nan 0.000 0.507 85 A N -0.065 122.971 122.820 0.359 0.000 1.940 85 A HA -0.230 4.073 4.320 -0.029 0.000 0.219 85 A C 1.837 179.560 177.584 0.232 0.000 1.176 85 A CA 2.184 54.446 52.037 0.374 0.000 0.631 85 A CB -0.853 18.535 19.000 0.648 0.000 0.814 85 A HN 0.530 nan 8.150 nan 0.000 0.446 86 D N -0.493 120.018 120.400 0.184 0.000 2.117 86 D HA -0.088 4.534 4.640 -0.029 0.000 0.198 86 D C 2.032 178.401 176.300 0.114 0.000 0.982 86 D CA 1.325 55.413 54.000 0.147 0.000 0.828 86 D CB -0.287 40.583 40.800 0.115 0.000 0.967 86 D HN 0.632 nan 8.370 nan 0.000 0.464 87 E N -0.404 119.795 120.200 -0.002 0.000 2.077 87 E HA -0.137 4.195 4.350 -0.029 0.000 0.193 87 E C 2.004 178.499 176.600 -0.175 0.000 0.989 87 E CA 0.672 57.012 56.400 -0.099 0.000 0.800 87 E CB 0.012 29.597 29.700 -0.192 0.000 0.746 87 E HN 0.191 nan 8.360 nan 0.000 0.452 88 M N -0.238 119.190 119.600 -0.287 0.000 2.132 88 M HA -0.142 4.321 4.480 -0.029 0.000 0.263 88 M C 2.204 178.431 176.300 -0.122 0.000 1.065 88 M CA 1.367 56.443 55.300 -0.374 0.000 1.122 88 M CB -0.980 31.170 32.600 -0.749 0.000 1.365 88 M HN 0.174 nan 8.290 nan 0.000 0.411 89 Y N 1.251 121.507 120.300 -0.073 0.000 2.097 89 Y HA -0.245 4.289 4.550 -0.027 0.000 0.282 89 Y C 2.169 178.055 175.900 -0.023 0.000 1.152 89 Y CA 1.916 60.019 58.100 0.005 0.000 1.136 89 Y CB -0.466 38.036 38.460 0.069 0.000 0.975 89 Y HN 0.105 nan 8.280 nan 0.000 0.498 90 L N -0.236 121.055 121.223 0.113 0.000 2.131 90 L HA -0.220 4.103 4.340 -0.029 0.000 0.210 90 L C 2.752 179.566 176.870 -0.093 0.000 1.092 90 L CA 1.040 55.889 54.840 0.014 0.000 0.759 90 L CB -0.903 41.203 42.059 0.078 0.000 0.903 90 L HN 0.377 nan 8.230 nan 0.000 0.435 91 A N -0.010 122.743 122.820 -0.111 0.000 1.930 91 A HA -0.117 4.185 4.320 -0.029 0.000 0.217 91 A C 2.542 180.034 177.584 -0.153 0.000 1.175 91 A CA 1.608 53.566 52.037 -0.133 0.000 0.627 91 A CB -0.587 18.319 19.000 -0.157 0.000 0.815 91 A HN 0.384 nan 8.150 nan 0.000 0.443 92 A N -0.855 121.854 122.820 -0.184 0.000 1.873 92 A HA -0.048 4.254 4.320 -0.029 0.000 0.215 92 A C 1.985 179.444 177.584 -0.209 0.000 1.186 92 A CA 1.723 53.647 52.037 -0.188 0.000 0.616 92 A CB -0.436 18.452 19.000 -0.185 0.000 0.823 92 A HN 0.390 nan 8.150 nan 0.000 0.442 93 M N 0.496 119.919 119.600 -0.296 0.000 2.700 93 M HA 0.007 4.470 4.480 -0.029 0.000 0.249 93 M C -0.091 176.138 176.300 -0.118 0.000 1.082 93 M CA 0.338 55.495 55.300 -0.238 0.000 1.077 93 M CB -1.347 31.054 32.600 -0.332 0.000 1.477 93 M HN 0.317 nan 8.290 nan 0.000 0.529 94 D N 0.366 120.700 120.400 -0.110 0.000 2.274 94 D HA 0.156 4.778 4.640 -0.029 0.000 0.239 94 D C 0.600 176.857 176.300 -0.072 0.000 1.104 94 D CA -0.052 53.903 54.000 -0.075 0.000 0.840 94 D CB 1.057 41.812 40.800 -0.075 0.000 1.100 94 D HN 0.109 nan 8.370 nan 0.000 0.477 95 S N 1.382 117.052 115.700 -0.050 0.000 2.634 95 S HA -0.012 4.440 4.470 -0.029 0.000 0.221 95 S C 1.493 176.064 174.600 -0.048 0.000 0.952 95 S CA -0.272 57.902 58.200 -0.044 0.000 0.930 95 S CB 0.044 63.230 63.200 -0.022 0.000 0.780 95 S HN 0.433 nan 8.310 nan 0.000 0.498 96 T N 2.980 117.501 114.554 -0.056 0.000 2.708 96 T HA 0.060 4.392 4.350 -0.029 0.000 0.266 96 T C 1.425 176.087 174.700 -0.063 0.000 1.037 96 T CA 1.527 63.595 62.100 -0.053 0.000 1.146 96 T CB -0.298 68.538 68.868 -0.052 0.000 0.865 96 T HN 0.403 nan 8.240 nan 0.000 0.435 97 L N 0.568 121.737 121.223 -0.090 0.000 2.388 97 L HA 0.172 4.495 4.340 -0.029 0.000 0.209 97 L C 2.202 179.003 176.870 -0.114 0.000 1.061 97 L CA 0.498 55.272 54.840 -0.110 0.000 0.834 97 L CB -0.144 41.820 42.059 -0.158 0.000 1.029 97 L HN 0.213 nan 8.230 nan 0.000 0.473 98 D N -0.100 120.230 120.400 -0.118 0.000 2.354 98 D HA 0.005 4.628 4.640 -0.029 0.000 0.209 98 D C 1.482 177.757 176.300 -0.042 0.000 1.015 98 D CA 0.856 54.800 54.000 -0.093 0.000 0.867 98 D CB 0.231 40.959 40.800 -0.120 0.000 0.933 98 D HN 0.214 nan 8.370 nan 0.000 0.520 99 G N 0.827 109.604 108.800 -0.039 0.000 2.160 99 G HA2 -0.268 3.674 3.960 -0.029 0.000 0.251 99 G HA3 -0.268 3.674 3.960 -0.029 0.000 0.251 99 G C 0.076 174.971 174.900 -0.008 0.000 1.008 99 G CA 0.593 45.682 45.100 -0.019 0.000 0.724 99 G HN 0.539 nan 8.290 nan 0.000 0.514 100 I N -1.054 119.508 120.570 -0.013 0.000 2.842 100 I HA 0.607 4.759 4.170 -0.029 0.000 0.297 100 I C -0.520 175.597 176.117 0.001 0.000 1.380 100 I CA -0.677 60.628 61.300 0.007 0.000 1.018 100 I CB 1.906 39.922 38.000 0.025 0.000 1.311 100 I HN 0.386 nan 8.210 nan 0.000 0.439 101 A N 7.975 130.816 122.820 0.035 0.000 3.047 101 A HA 0.620 4.923 4.320 -0.029 0.000 0.337 101 A C -0.761 176.873 177.584 0.083 0.000 1.143 101 A CA -0.260 51.792 52.037 0.025 0.000 0.905 101 A CB -0.380 18.643 19.000 0.040 0.000 1.088 101 A HN 0.479 nan 8.150 nan 0.000 0.488 102 I N 1.811 122.394 120.570 0.022 0.000 2.336 102 I HA 0.296 4.448 4.170 -0.029 0.000 0.292 102 I C -2.376 173.616 176.117 -0.208 0.000 0.991 102 I CA -2.368 58.916 61.300 -0.026 0.000 1.227 102 I CB 2.049 40.086 38.000 0.062 0.000 1.366 102 I HN 0.248 nan 8.210 nan 0.000 0.466 103 P HA 0.026 nan 4.420 nan 0.000 0.267 103 P C -0.049 177.160 177.300 -0.151 0.000 1.205 103 P CA 0.065 62.956 63.100 -0.347 0.000 0.765 103 P CB 0.591 32.102 31.700 -0.316 0.000 0.828 104 T N 2.069 116.606 114.554 -0.029 0.000 2.816 104 T HA 0.469 4.801 4.350 -0.029 0.000 0.282 104 T C -0.287 174.541 174.700 0.212 0.000 0.993 104 T CA -0.389 61.797 62.100 0.144 0.000 0.994 104 T CB 0.232 69.245 68.868 0.242 0.000 1.025 104 T HN 0.226 nan 8.240 nan 0.000 0.529 105 V N 0.574 120.651 119.914 0.270 0.000 2.876 105 V HA 0.643 4.746 4.120 -0.029 0.000 0.312 105 V C -1.081 175.145 176.094 0.220 0.000 1.085 105 V CA -1.330 61.102 62.300 0.220 0.000 0.945 105 V CB 1.652 33.508 31.823 0.055 0.000 1.017 105 V HN 0.884 nan 8.190 nan 0.000 0.428 106 W N 2.955 124.170 121.300 -0.142 0.000 2.316 106 W HA 0.788 5.435 4.660 -0.021 0.000 0.311 106 W C 0.450 176.821 176.519 -0.247 0.000 1.217 106 W CA -0.201 56.828 57.345 -0.526 0.000 1.199 106 W CB 1.327 30.580 29.460 -0.345 0.000 1.202 106 W HN 1.058 nan 8.180 nan 0.000 0.528 107 G N 2.859 111.685 108.800 0.044 0.000 2.416 107 G HA2 0.541 4.483 3.960 -0.029 0.000 0.329 107 G HA3 0.541 4.483 3.960 -0.029 0.000 0.329 107 G C -1.200 173.315 174.900 -0.642 0.000 1.173 107 G CA -0.307 44.545 45.100 -0.413 0.000 0.929 107 G HN 0.372 nan 8.290 nan 0.000 0.475 108 T N 0.031 113.950 114.554 -1.057 0.000 2.883 108 T HA 0.400 4.733 4.350 -0.029 0.000 0.301 108 T C -1.530 172.383 174.700 -1.313 0.000 1.158 108 T CA -0.664 60.895 62.100 -0.900 0.000 1.007 108 T CB 2.065 70.625 68.868 -0.513 0.000 1.186 108 T HN 0.421 nan 8.240 nan 0.000 0.499 109 D N 1.252 121.264 120.400 -0.647 0.000 2.255 109 D HA 0.557 5.179 4.640 -0.029 0.000 0.249 109 D C -0.772 175.433 176.300 -0.158 0.000 1.078 109 D CA -0.214 53.626 54.000 -0.266 0.000 0.896 109 D CB 1.545 42.393 40.800 0.081 0.000 1.194 109 D HN 0.662 nan 8.370 nan 0.000 0.429 110 A N 4.841 127.594 122.820 -0.112 0.000 3.030 110 A HA 0.146 4.448 4.320 -0.029 0.000 0.335 110 A C 0.996 178.588 177.584 0.013 0.000 1.089 110 A CA -0.495 51.510 52.037 -0.054 0.000 0.807 110 A CB 0.528 19.447 19.000 -0.135 0.000 1.099 110 A HN 0.525 nan 8.150 nan 0.000 0.474 111 M N 1.418 121.074 119.600 0.094 0.000 2.175 111 M HA -0.017 4.445 4.480 -0.029 0.000 0.264 111 M C 0.638 177.110 176.300 0.287 0.000 1.063 111 M CA 1.588 56.975 55.300 0.145 0.000 1.119 111 M CB -0.643 32.104 32.600 0.244 0.000 1.377 111 M HN 0.927 nan 8.290 nan 0.000 0.415 112 H N -1.934 117.174 119.070 0.064 0.000 3.022 112 H HA 0.461 4.999 4.556 -0.030 0.000 0.307 112 H C 0.027 175.465 175.328 0.183 0.000 1.490 112 H CA -0.202 55.887 56.048 0.069 0.000 1.584 112 H CB -0.756 28.915 29.762 -0.152 0.000 2.045 112 H HN 0.396 nan 8.280 nan 0.000 0.672 113 G N 1.499 110.423 108.800 0.206 0.000 2.741 113 G HA2 -0.278 3.664 3.960 -0.029 0.000 0.222 113 G HA3 -0.278 3.664 3.960 -0.029 0.000 0.222 113 G C -0.647 174.294 174.900 0.068 0.000 1.364 113 G CA -0.220 45.015 45.100 0.224 0.000 0.866 113 G HN 1.070 nan 8.290 nan 0.000 0.555 114 H N 1.062 120.082 119.070 -0.085 0.000 2.923 114 H HA 0.439 4.977 4.556 -0.030 0.000 0.251 114 H C 1.888 177.139 175.328 -0.128 0.000 1.741 114 H CA 0.297 56.260 56.048 -0.141 0.000 1.387 114 H CB -0.170 29.475 29.762 -0.194 0.000 1.740 114 H HN 0.597 nan 8.280 nan 0.000 0.544 115 S N 1.983 117.734 115.700 0.084 0.000 2.470 115 S HA -0.158 4.294 4.470 -0.029 0.000 0.225 115 S C 1.598 176.257 174.600 0.099 0.000 1.006 115 S CA 0.297 58.516 58.200 0.032 0.000 0.934 115 S CB 0.024 63.297 63.200 0.122 0.000 0.778 115 S HN 0.775 nan 8.310 nan 0.000 0.517 116 N N 1.545 120.310 118.700 0.108 0.000 2.383 116 N HA 0.025 4.748 4.740 -0.029 0.000 0.192 116 N C -0.269 175.253 175.510 0.019 0.000 1.141 116 N CA 0.005 53.122 53.050 0.112 0.000 0.851 116 N CB -0.032 38.573 38.487 0.197 0.000 0.976 116 N HN 0.286 nan 8.380 nan 0.000 0.465 117 V N 2.248 122.050 119.914 -0.187 0.000 2.383 117 V HA 0.105 4.207 4.120 -0.029 0.000 0.275 117 V C -0.374 175.676 176.094 -0.073 0.000 1.036 117 V CA -1.061 61.102 62.300 -0.227 0.000 0.889 117 V CB 0.128 31.458 31.823 -0.822 0.000 0.985 117 V HN 0.208 nan 8.190 nan 0.000 0.459 118 Y N 4.779 125.046 120.300 -0.056 0.000 2.729 118 Y HA 0.369 4.902 4.550 -0.029 0.000 0.331 118 Y C 1.306 177.172 175.900 -0.056 0.000 1.208 118 Y CA 1.450 59.515 58.100 -0.058 0.000 1.521 118 Y CB 0.245 38.696 38.460 -0.014 0.000 1.233 118 Y HN 0.954 nan 8.280 nan 0.000 0.539 119 G N 3.149 111.658 108.800 -0.484 0.000 2.234 119 G HA2 -0.248 3.694 3.960 -0.029 0.000 0.235 119 G HA3 -0.248 3.694 3.960 -0.029 0.000 0.235 119 G C 0.344 175.124 174.900 -0.200 0.000 0.997 119 G CA -0.118 44.754 45.100 -0.380 0.000 0.623 119 G HN 1.339 nan 8.290 nan 0.000 0.514 120 A N 0.848 123.562 122.820 -0.178 0.000 2.498 120 A HA 0.569 4.872 4.320 -0.029 0.000 0.239 120 A C 0.952 178.441 177.584 -0.158 0.000 1.068 120 A CA 1.262 53.209 52.037 -0.150 0.000 0.766 120 A CB 0.069 18.957 19.000 -0.188 0.000 1.003 120 A HN 0.971 nan 8.150 nan 0.000 0.497 121 T N 2.633 117.088 114.554 -0.164 0.000 2.908 121 T HA 0.277 4.609 4.350 -0.029 0.000 0.301 121 T C 0.025 174.475 174.700 -0.417 0.000 1.019 121 T CA 0.715 62.628 62.100 -0.312 0.000 1.152 121 T CB -0.357 68.279 68.868 -0.387 0.000 0.966 121 T HN 0.378 nan 8.240 nan 0.000 0.540 122 L N 4.536 125.490 121.223 -0.448 0.000 2.294 122 L HA 0.462 4.784 4.340 -0.029 0.000 0.283 122 L C -0.231 176.380 176.870 -0.432 0.000 1.015 122 L CA -0.773 53.794 54.840 -0.455 0.000 0.831 122 L CB 0.472 42.347 42.059 -0.307 0.000 1.217 122 L HN 0.551 nan 8.230 nan 0.000 0.420 123 F N 3.359 123.197 119.950 -0.188 0.000 2.406 123 F HA 0.338 4.847 4.527 -0.030 0.000 0.327 123 F C -1.641 174.167 175.800 0.014 0.000 1.153 123 F CA -2.051 55.910 58.000 -0.065 0.000 1.218 123 F CB -0.079 38.894 39.000 -0.045 0.000 1.215 123 F HN 0.275 nan 8.300 nan 0.000 0.570 124 P HA -0.068 nan 4.420 nan 0.000 0.266 124 P C -0.312 177.102 177.300 0.190 0.000 1.186 124 P CA 0.450 63.656 63.100 0.177 0.000 0.767 124 P CB 0.255 32.070 31.700 0.191 0.000 0.820 125 H N 2.108 121.271 119.070 0.155 0.000 2.745 125 H HA 0.040 4.578 4.556 -0.030 0.000 0.373 125 H C 1.444 176.854 175.328 0.137 0.000 1.226 125 H CA 0.367 56.476 56.048 0.101 0.000 1.435 125 H CB 0.439 30.202 29.762 0.002 0.000 1.461 125 H HN 0.398 nan 8.280 nan 0.000 0.616 126 N N 1.178 120.035 118.700 0.262 0.000 2.061 126 N HA -0.180 4.543 4.740 -0.029 0.000 0.193 126 N C 2.082 177.725 175.510 0.222 0.000 1.030 126 N CA 1.089 54.224 53.050 0.143 0.000 0.856 126 N CB -0.413 37.871 38.487 -0.338 0.000 1.023 126 N HN 0.624 nan 8.380 nan 0.000 0.424 127 I N 0.279 120.927 120.570 0.130 0.000 2.145 127 I HA -0.268 3.885 4.170 -0.029 0.000 0.244 127 I C 1.939 177.890 176.117 -0.276 0.000 1.075 127 I CA 1.998 63.297 61.300 -0.002 0.000 1.332 127 I CB -0.505 37.404 38.000 -0.152 0.000 1.033 127 I HN 0.187 nan 8.210 nan 0.000 0.410 128 G N 0.463 109.129 108.800 -0.224 0.000 2.422 128 G HA2 -0.148 3.795 3.960 -0.029 0.000 0.218 128 G HA3 -0.148 3.795 3.960 -0.029 0.000 0.218 128 G C 1.614 176.523 174.900 0.016 0.000 1.140 128 G CA 0.583 45.526 45.100 -0.263 0.000 0.775 128 G HN 0.446 nan 8.290 nan 0.000 0.545 129 L N 0.700 122.021 121.223 0.165 0.000 2.201 129 L HA 0.042 4.364 4.340 -0.029 0.000 0.212 129 L C 3.064 180.132 176.870 0.329 0.000 1.105 129 L CA 0.820 55.818 54.840 0.263 0.000 0.775 129 L CB -0.485 41.802 42.059 0.380 0.000 0.913 129 L HN 0.329 nan 8.230 nan 0.000 0.440 130 G N -0.286 108.669 108.800 0.259 0.000 2.408 130 G HA2 -0.202 3.741 3.960 -0.029 0.000 0.217 130 G HA3 -0.202 3.741 3.960 -0.029 0.000 0.217 130 G C 1.798 176.701 174.900 0.005 0.000 1.150 130 G CA 0.717 45.851 45.100 0.057 0.000 0.776 130 G HN 0.439 nan 8.290 nan 0.000 0.542 131 A N 1.315 124.127 122.820 -0.013 0.000 1.940 131 A HA 0.221 4.524 4.320 -0.029 0.000 0.219 131 A C 2.802 180.438 177.584 0.086 0.000 1.176 131 A CA 2.204 54.258 52.037 0.028 0.000 0.631 131 A CB -0.775 18.273 19.000 0.081 0.000 0.814 131 A HN 0.803 nan 8.150 nan 0.000 0.446 132 A N -1.213 121.677 122.820 0.117 0.000 1.978 132 A HA -0.105 4.198 4.320 -0.029 0.000 0.220 132 A C 1.243 178.892 177.584 0.108 0.000 1.170 132 A CA 1.251 53.355 52.037 0.112 0.000 0.636 132 A CB -0.341 18.721 19.000 0.103 0.000 0.810 132 A HN 0.471 nan 8.150 nan 0.000 0.448 133 R N -0.023 120.576 120.500 0.165 0.000 3.264 133 R HA -0.149 4.173 4.340 -0.029 0.000 0.251 133 R C -0.935 175.449 176.300 0.141 0.000 0.971 133 R CA 1.082 57.283 56.100 0.169 0.000 0.658 133 R CB -2.295 28.043 30.300 0.062 0.000 1.095 133 R HN 0.678 nan 8.270 nan 0.000 0.443 134 D N -0.234 120.230 120.400 0.107 0.000 2.358 134 D HA 0.126 4.748 4.640 -0.029 0.000 0.253 134 D C 1.195 177.351 176.300 -0.240 0.000 1.288 134 D CA 0.291 54.265 54.000 -0.043 0.000 0.950 134 D CB 0.851 41.626 40.800 -0.041 0.000 1.197 134 D HN 0.203 nan 8.370 nan 0.000 0.550 135 T N 0.245 114.680 114.554 -0.198 0.000 2.867 135 T HA -0.171 4.162 4.350 -0.029 0.000 0.268 135 T C 1.401 175.942 174.700 -0.266 0.000 1.057 135 T CA 1.174 63.079 62.100 -0.326 0.000 1.136 135 T CB 0.111 68.901 68.868 -0.131 0.000 0.874 135 T HN 0.223 nan 8.240 nan 0.000 0.466 136 D N 1.142 121.443 120.400 -0.166 0.000 2.097 136 D HA -0.096 4.527 4.640 -0.029 0.000 0.195 136 D C 1.982 178.186 176.300 -0.160 0.000 0.989 136 D CA 0.942 54.862 54.000 -0.132 0.000 0.827 136 D CB -0.527 40.224 40.800 -0.082 0.000 0.966 136 D HN 0.315 nan 8.370 nan 0.000 0.456 137 L N 0.312 121.435 121.223 -0.168 0.000 2.012 137 L HA -0.150 4.172 4.340 -0.029 0.000 0.210 137 L C 2.109 178.836 176.870 -0.238 0.000 1.073 137 L CA 1.477 56.220 54.840 -0.163 0.000 0.748 137 L CB -0.573 41.409 42.059 -0.129 0.000 0.891 137 L HN 0.147 nan 8.230 nan 0.000 0.431 138 I N -0.005 120.357 120.570 -0.347 0.000 2.118 138 I HA -0.355 3.798 4.170 -0.029 0.000 0.241 138 I C 2.547 178.482 176.117 -0.304 0.000 1.070 138 I CA 1.802 62.861 61.300 -0.403 0.000 1.327 138 I CB -1.349 36.243 38.000 -0.679 0.000 1.034 138 I HN 0.431 nan 8.210 nan 0.000 0.405 139 K N 0.921 121.167 120.400 -0.257 0.000 2.032 139 K HA -0.187 4.115 4.320 -0.029 0.000 0.209 139 K C 2.318 178.800 176.600 -0.196 0.000 1.048 139 K CA 1.501 57.673 56.287 -0.191 0.000 0.927 139 K CB -0.052 32.361 32.500 -0.145 0.000 0.712 139 K HN 0.188 nan 8.250 nan 0.000 0.441 140 R N 0.223 120.608 120.500 -0.191 0.000 2.096 140 R HA -0.088 4.234 4.340 -0.029 0.000 0.235 140 R C 2.355 178.494 176.300 -0.268 0.000 1.127 140 R CA 1.645 57.638 56.100 -0.178 0.000 0.968 140 R CB -0.338 29.891 30.300 -0.119 0.000 0.861 140 R HN 0.301 nan 8.270 nan 0.000 0.440 141 I N -0.096 120.244 120.570 -0.383 0.000 2.179 141 I HA -0.187 3.965 4.170 -0.029 0.000 0.242 141 I C 2.578 178.342 176.117 -0.587 0.000 1.088 141 I CA 1.436 62.307 61.300 -0.714 0.000 1.357 141 I CB -0.836 36.678 38.000 -0.810 0.000 1.051 141 I HN 0.309 nan 8.210 nan 0.000 0.409 142 G N 0.393 108.968 108.800 -0.375 0.000 2.491 142 G HA2 -0.306 3.636 3.960 -0.029 0.000 0.218 142 G HA3 -0.306 3.636 3.960 -0.029 0.000 0.218 142 G C 1.526 176.271 174.900 -0.259 0.000 1.180 142 G CA 0.753 45.692 45.100 -0.268 0.000 0.774 142 G HN 0.427 nan 8.290 nan 0.000 0.562 143 Q N 0.249 119.902 119.800 -0.244 0.000 2.135 143 Q HA -0.057 4.265 4.340 -0.029 0.000 0.204 143 Q C 2.976 178.783 176.000 -0.322 0.000 0.981 143 Q CA 1.411 57.071 55.803 -0.239 0.000 0.856 143 Q CB -0.294 28.327 28.738 -0.194 0.000 0.902 143 Q HN 0.511 nan 8.270 nan 0.000 0.425 144 A N 0.426 123.014 122.820 -0.387 0.000 1.873 144 A HA -0.151 4.151 4.320 -0.029 0.000 0.215 144 A C 2.270 179.552 177.584 -0.503 0.000 1.186 144 A CA 1.734 53.397 52.037 -0.624 0.000 0.616 144 A CB -0.880 17.787 19.000 -0.555 0.000 0.823 144 A HN 0.310 nan 8.150 nan 0.000 0.442 145 T N 0.599 114.949 114.554 -0.339 0.000 2.684 145 T HA -0.088 4.245 4.350 -0.029 0.000 0.267 145 T C 2.246 176.813 174.700 -0.222 0.000 1.036 145 T CA 1.820 63.794 62.100 -0.210 0.000 1.148 145 T CB -0.629 68.115 68.868 -0.207 0.000 0.863 145 T HN 0.623 nan 8.240 nan 0.000 0.436 146 A N 1.948 124.630 122.820 -0.230 0.000 1.915 146 A HA -0.285 4.018 4.320 -0.029 0.000 0.220 146 A C 2.242 179.717 177.584 -0.182 0.000 1.198 146 A CA 2.251 54.175 52.037 -0.188 0.000 0.647 146 A CB -0.619 18.281 19.000 -0.166 0.000 0.825 146 A HN 0.536 nan 8.150 nan 0.000 0.456 147 K N -0.569 119.656 120.400 -0.292 0.000 2.057 147 K HA -0.126 4.176 4.320 -0.029 0.000 0.207 147 K C 1.969 178.574 176.600 0.007 0.000 1.049 147 K CA 1.463 57.539 56.287 -0.352 0.000 0.931 147 K CB -0.169 31.833 32.500 -0.831 0.000 0.714 147 K HN 0.622 nan 8.250 nan 0.000 0.440 148 E N 0.489 120.673 120.200 -0.027 0.000 2.152 148 E HA -0.122 4.211 4.350 -0.029 0.000 0.192 148 E C 2.087 178.738 176.600 0.086 0.000 0.983 148 E CA 0.980 57.441 56.400 0.102 0.000 0.818 148 E CB 0.063 29.813 29.700 0.084 0.000 0.758 148 E HN 0.085 nan 8.360 nan 0.000 0.467 149 V N 1.744 121.575 119.914 -0.139 0.000 2.283 149 V HA -0.213 3.889 4.120 -0.029 0.000 0.243 149 V C 2.517 178.527 176.094 -0.139 0.000 1.039 149 V CA 1.698 63.750 62.300 -0.415 0.000 1.016 149 V CB -0.917 30.583 31.823 -0.539 0.000 0.650 149 V HN 0.246 nan 8.190 nan 0.000 0.449 150 A N 0.453 123.277 122.820 0.005 0.000 1.940 150 A HA -0.292 4.010 4.320 -0.029 0.000 0.221 150 A C 2.378 180.088 177.584 0.209 0.000 1.190 150 A CA 2.643 54.780 52.037 0.166 0.000 0.647 150 A CB -0.961 18.211 19.000 0.287 0.000 0.821 150 A HN 0.667 nan 8.150 nan 0.000 0.457 151 A N -0.833 122.135 122.820 0.247 0.000 2.070 151 A HA -0.043 4.260 4.320 -0.029 0.000 0.220 151 A C 2.206 179.837 177.584 0.077 0.000 1.159 151 A CA 2.263 54.423 52.037 0.205 0.000 0.656 151 A CB -1.027 18.126 19.000 0.255 0.000 0.800 151 A HN 0.900 nan 8.150 nan 0.000 0.453 152 T N -4.958 109.583 114.554 -0.023 0.000 3.086 152 T HA 0.416 4.748 4.350 -0.029 0.000 0.250 152 T C 1.255 176.013 174.700 0.096 0.000 1.074 152 T CA 1.002 63.023 62.100 -0.131 0.000 0.988 152 T CB 0.148 68.614 68.868 -0.670 0.000 0.988 152 T HN 1.668 nan 8.240 nan 0.000 0.530 153 G N 1.362 110.232 108.800 0.117 0.000 2.149 153 G HA2 -0.188 3.754 3.960 -0.029 0.000 0.235 153 G HA3 -0.188 3.754 3.960 -0.029 0.000 0.235 153 G C -0.128 174.899 174.900 0.213 0.000 1.018 153 G CA -0.061 45.171 45.100 0.220 0.000 0.728 153 G HN 0.644 nan 8.290 nan 0.000 0.508 154 I N -0.123 120.444 120.570 -0.004 0.000 2.385 154 I HA 0.425 4.577 4.170 -0.029 0.000 0.294 154 I C 1.227 177.284 176.117 -0.100 0.000 0.988 154 I CA -0.789 60.447 61.300 -0.106 0.000 1.265 154 I CB 1.496 39.218 38.000 -0.463 0.000 1.388 154 I HN 0.072 nan 8.210 nan 0.000 0.480 155 E N 3.766 123.887 120.200 -0.133 0.000 2.216 155 E HA -0.019 4.313 4.350 -0.029 0.000 0.192 155 E C -0.696 175.759 176.600 -0.241 0.000 0.973 155 E CA 0.500 56.659 56.400 -0.402 0.000 0.851 155 E CB 0.228 29.381 29.700 -0.912 0.000 0.804 155 E HN 0.517 nan 8.360 nan 0.000 0.477 156 W N 1.730 122.837 121.300 -0.322 0.000 2.538 156 W HA 0.504 5.144 4.660 -0.032 0.000 0.322 156 W C -1.054 175.283 176.519 -0.304 0.000 1.028 156 W CA -1.709 55.507 57.345 -0.214 0.000 1.228 156 W CB 1.160 30.591 29.460 -0.048 0.000 1.356 156 W HN -0.165 nan 8.180 nan 0.000 0.452 157 S N 5.144 120.819 115.700 -0.041 0.000 2.521 157 S HA 0.633 5.086 4.470 -0.029 0.000 0.295 157 S C -0.957 173.582 174.600 -0.101 0.000 1.098 157 S CA -0.736 57.259 58.200 -0.342 0.000 0.999 157 S CB 0.817 63.860 63.200 -0.262 0.000 1.034 157 S HN 0.325 nan 8.310 nan 0.000 0.483 158 F N 2.447 122.273 119.950 -0.207 0.000 2.438 158 F HA 0.622 5.131 4.527 -0.030 0.000 0.360 158 F C 0.923 176.641 175.800 -0.135 0.000 1.118 158 F CA -0.131 57.769 58.000 -0.167 0.000 1.164 158 F CB 0.409 39.274 39.000 -0.225 0.000 1.131 158 F HN 1.018 nan 8.300 nan 0.000 0.527 159 A N 4.838 127.711 122.820 0.088 0.000 2.586 159 A HA 0.576 4.878 4.320 -0.029 0.000 0.298 159 A C -3.076 174.515 177.584 0.012 0.000 1.013 159 A CA -1.305 50.738 52.037 0.011 0.000 0.707 159 A CB 1.232 20.225 19.000 -0.012 0.000 1.276 159 A HN 0.310 nan 8.150 nan 0.000 0.414 160 P HA 0.528 nan 4.420 nan 0.000 0.279 160 P C -0.358 176.890 177.300 -0.088 0.000 1.276 160 P CA -0.111 62.983 63.100 -0.009 0.000 0.801 160 P CB 0.680 32.440 31.700 0.100 0.000 1.127 161 T N 0.554 115.030 114.554 -0.130 0.000 2.738 161 T HA 0.261 4.594 4.350 -0.029 0.000 0.298 161 T C 0.861 175.478 174.700 -0.137 0.000 0.962 161 T CA -0.285 61.733 62.100 -0.136 0.000 0.972 161 T CB -0.143 68.644 68.868 -0.135 0.000 0.928 161 T HN 0.259 nan 8.240 nan 0.000 0.474 162 V N 0.783 120.645 119.914 -0.087 0.000 3.099 162 V HA 0.634 4.737 4.120 -0.029 0.000 0.356 162 V C 0.988 177.104 176.094 0.036 0.000 1.364 162 V CA -1.013 61.250 62.300 -0.062 0.000 1.229 162 V CB -1.072 30.594 31.823 -0.261 0.000 1.227 162 V HN 0.851 nan 8.190 nan 0.000 0.493 163 A N 0.487 123.377 122.820 0.117 0.000 2.498 163 A HA 0.551 4.853 4.320 -0.029 0.000 0.239 163 A C 0.086 177.781 177.584 0.185 0.000 1.068 163 A CA 0.153 52.318 52.037 0.215 0.000 0.766 163 A CB 0.449 19.673 19.000 0.373 0.000 1.003 163 A HN 0.748 nan 8.150 nan 0.000 0.497 164 V N 4.083 124.113 119.914 0.193 0.000 2.293 164 V HA 0.242 4.344 4.120 -0.029 0.000 0.275 164 V C -0.072 176.145 176.094 0.205 0.000 1.021 164 V CA -0.555 61.815 62.300 0.116 0.000 0.815 164 V CB 0.981 32.769 31.823 -0.057 0.000 1.025 164 V HN 0.600 nan 8.190 nan 0.000 0.448 165 V N 6.792 126.891 119.914 0.307 0.000 2.488 165 V HA 0.362 4.464 4.120 -0.029 0.000 0.277 165 V C 1.111 177.408 176.094 0.338 0.000 1.046 165 V CA -0.337 62.208 62.300 0.409 0.000 0.986 165 V CB 1.243 33.429 31.823 0.605 0.000 0.989 165 V HN 0.792 nan 8.190 nan 0.000 0.475 166 R N 1.895 122.545 120.500 0.249 0.000 2.373 166 R HA 0.262 4.584 4.340 -0.029 0.000 0.221 166 R C -0.052 176.370 176.300 0.203 0.000 0.893 166 R CA 0.024 56.237 56.100 0.188 0.000 1.049 166 R CB 0.387 30.773 30.300 0.144 0.000 1.119 166 R HN 0.706 nan 8.270 nan 0.000 0.535 167 D N 0.737 121.267 120.400 0.216 0.000 2.575 167 D HA 0.117 4.739 4.640 -0.029 0.000 0.250 167 D C -0.371 176.072 176.300 0.238 0.000 1.279 167 D CA -0.246 53.878 54.000 0.207 0.000 0.925 167 D CB 1.346 42.227 40.800 0.136 0.000 1.261 167 D HN -0.240 nan 8.370 nan 0.000 0.567 168 D N 2.289 122.828 120.400 0.231 0.000 2.392 168 D HA -0.041 4.581 4.640 -0.029 0.000 0.228 168 D C 1.618 178.017 176.300 0.165 0.000 1.003 168 D CA 0.354 54.460 54.000 0.178 0.000 0.917 168 D CB 0.282 41.148 40.800 0.111 0.000 0.890 168 D HN 0.418 nan 8.370 nan 0.000 0.532 169 R N -0.521 120.081 120.500 0.170 0.000 2.237 169 R HA -0.074 4.248 4.340 -0.029 0.000 0.219 169 R C 0.583 176.963 176.300 0.134 0.000 1.080 169 R CA -0.025 56.136 56.100 0.103 0.000 0.995 169 R CB -0.024 30.280 30.300 0.007 0.000 0.875 169 R HN 0.152 nan 8.270 nan 0.000 0.462 170 W N 1.200 122.489 121.300 -0.018 0.000 2.251 170 W HA 0.074 4.716 4.660 -0.030 0.000 0.327 170 W C 1.111 177.614 176.519 -0.027 0.000 1.361 170 W CA -0.580 56.753 57.345 -0.020 0.000 1.234 170 W CB 0.525 29.992 29.460 0.011 0.000 1.212 170 W HN 0.036 nan 8.180 nan 0.000 0.557 171 G N 4.839 113.498 108.800 -0.236 0.000 2.882 171 G HA2 -0.105 3.837 3.960 -0.029 0.000 0.206 171 G HA3 -0.105 3.837 3.960 -0.029 0.000 0.206 171 G C 0.936 175.592 174.900 -0.407 0.000 1.155 171 G CA -0.017 44.892 45.100 -0.319 0.000 0.800 171 G HN 0.545 nan 8.290 nan 0.000 0.524 172 R N -0.667 119.205 120.500 -1.047 0.000 2.600 172 R HA 0.133 4.455 4.340 -0.029 0.000 0.392 172 R C 1.523 177.220 176.300 -1.004 0.000 1.032 172 R CA 0.016 55.329 56.100 -1.312 0.000 1.139 172 R CB 0.172 29.356 30.300 -1.860 0.000 1.400 172 R HN 0.100 nan 8.270 nan 0.000 0.566 173 T N 1.067 115.338 114.554 -0.472 0.000 2.720 173 T HA -0.222 4.110 4.350 -0.029 0.000 0.268 173 T C 1.575 176.161 174.700 -0.191 0.000 1.037 173 T CA 1.885 63.903 62.100 -0.138 0.000 1.144 173 T CB -0.335 68.501 68.868 -0.053 0.000 0.864 173 T HN 0.515 nan 8.240 nan 0.000 0.444 174 Y N 1.741 121.928 120.300 -0.187 0.000 2.384 174 Y HA -0.006 4.526 4.550 -0.030 0.000 0.289 174 Y C 1.803 177.594 175.900 -0.181 0.000 1.152 174 Y CA 0.714 58.695 58.100 -0.200 0.000 1.258 174 Y CB -0.948 37.349 38.460 -0.273 0.000 0.979 174 Y HN 0.276 nan 8.280 nan 0.000 0.549 175 E N 0.631 120.550 120.200 -0.469 0.000 2.418 175 E HA -0.042 4.291 4.350 -0.029 0.000 0.197 175 E C 0.622 177.108 176.600 -0.189 0.000 1.026 175 E CA 0.577 56.789 56.400 -0.313 0.000 0.862 175 E CB 0.068 29.519 29.700 -0.415 0.000 0.799 175 E HN 0.337 nan 8.360 nan 0.000 0.518 176 S N -0.818 114.851 115.700 -0.051 0.000 2.541 176 S HA 0.126 4.579 4.470 -0.029 0.000 0.283 176 S C 0.404 175.083 174.600 0.132 0.000 1.196 176 S CA -0.678 57.564 58.200 0.070 0.000 1.062 176 S CB 0.568 63.968 63.200 0.334 0.000 1.009 176 S HN 0.050 nan 8.310 nan 0.000 0.502 177 Y N 2.888 123.277 120.300 0.149 0.000 2.373 177 Y HA 0.236 4.768 4.550 -0.029 0.000 0.293 177 Y C 1.558 177.459 175.900 0.003 0.000 1.129 177 Y CA 0.877 59.017 58.100 0.067 0.000 1.226 177 Y CB 0.001 38.425 38.460 -0.061 0.000 1.000 177 Y HN 0.672 nan 8.280 nan 0.000 0.549 178 S N -1.371 114.337 115.700 0.013 0.000 2.614 178 S HA 0.124 4.577 4.470 -0.029 0.000 0.280 178 S C 0.263 174.446 174.600 -0.695 0.000 1.111 178 S CA -0.318 57.546 58.200 -0.561 0.000 0.847 178 S CB 0.409 63.463 63.200 -0.242 0.000 1.079 178 S HN 0.390 nan 8.310 nan 0.000 0.452 179 E N 1.194 120.723 120.200 -1.118 0.000 2.347 179 E HA -0.042 4.290 4.350 -0.029 0.000 0.196 179 E C 0.096 176.495 176.600 -0.334 0.000 1.008 179 E CA 0.654 56.767 56.400 -0.477 0.000 0.852 179 E CB -0.163 29.344 29.700 -0.322 0.000 0.783 179 E HN 0.486 nan 8.360 nan 0.000 0.505 180 D N 1.931 122.112 120.400 -0.366 0.000 2.316 180 D HA 0.067 4.689 4.640 -0.029 0.000 0.245 180 D C -1.399 174.761 176.300 -0.234 0.000 1.171 180 D CA -2.698 51.089 54.000 -0.355 0.000 0.856 180 D CB 1.532 42.016 40.800 -0.527 0.000 1.090 180 D HN -0.193 nan 8.370 nan 0.000 0.476 181 P HA -0.156 nan 4.420 nan 0.000 0.216 181 P C 0.570 177.797 177.300 -0.121 0.000 1.150 181 P CA 0.887 63.889 63.100 -0.163 0.000 0.837 181 P CB 0.399 31.993 31.700 -0.177 0.000 0.786 182 D N -0.149 120.180 120.400 -0.119 0.000 2.123 182 D HA -0.127 4.495 4.640 -0.029 0.000 0.196 182 D C 2.133 178.389 176.300 -0.075 0.000 0.992 182 D CA 0.775 54.731 54.000 -0.073 0.000 0.833 182 D CB -0.798 39.961 40.800 -0.068 0.000 0.954 182 D HN 0.175 nan 8.370 nan 0.000 0.455 183 L N 0.327 121.480 121.223 -0.117 0.000 2.027 183 L HA -0.139 4.183 4.340 -0.029 0.000 0.206 183 L C 2.343 179.051 176.870 -0.271 0.000 1.074 183 L CA 0.741 55.455 54.840 -0.210 0.000 0.745 183 L CB -0.063 41.862 42.059 -0.223 0.000 0.898 183 L HN -0.120 nan 8.230 nan 0.000 0.433 184 V N 0.264 120.083 119.914 -0.159 0.000 2.332 184 V HA -0.354 3.748 4.120 -0.029 0.000 0.248 184 V C 2.548 178.640 176.094 -0.004 0.000 1.055 184 V CA 2.174 64.452 62.300 -0.036 0.000 1.038 184 V CB -0.607 31.224 31.823 0.015 0.000 0.651 184 V HN 0.474 nan 8.190 nan 0.000 0.450 185 K N -0.190 120.194 120.400 -0.026 0.000 2.147 185 K HA -0.168 4.134 4.320 -0.029 0.000 0.205 185 K C 2.305 178.932 176.600 0.045 0.000 1.049 185 K CA 1.346 57.642 56.287 0.015 0.000 0.936 185 K CB -0.066 32.455 32.500 0.036 0.000 0.722 185 K HN 0.378 nan 8.250 nan 0.000 0.446 186 R N -1.125 119.399 120.500 0.040 0.000 2.193 186 R HA -0.070 4.252 4.340 -0.029 0.000 0.213 186 R C 1.694 178.100 176.300 0.176 0.000 1.055 186 R CA 0.816 56.973 56.100 0.095 0.000 0.995 186 R CB 0.023 30.378 30.300 0.092 0.000 0.893 186 R HN 0.218 nan 8.270 nan 0.000 0.459 187 Y N -0.100 120.108 120.300 -0.153 0.000 2.301 187 Y HA 0.173 4.706 4.550 -0.029 0.000 0.295 187 Y C 2.337 178.139 175.900 -0.164 0.000 1.126 187 Y CA 0.054 57.990 58.100 -0.272 0.000 1.154 187 Y CB -0.758 37.318 38.460 -0.641 0.000 1.075 187 Y HN -0.017 nan 8.280 nan 0.000 0.534 188 A N 0.316 123.201 122.820 0.108 0.000 1.884 188 A HA -0.229 4.074 4.320 -0.029 0.000 0.219 188 A C 2.610 180.210 177.584 0.026 0.000 1.197 188 A CA 2.351 54.435 52.037 0.078 0.000 0.637 188 A CB -1.525 17.483 19.000 0.014 0.000 0.827 188 A HN 0.469 nan 8.150 nan 0.000 0.450 189 G N -0.820 107.994 108.800 0.024 0.000 2.440 189 G HA2 -0.220 3.723 3.960 -0.029 0.000 0.218 189 G HA3 -0.220 3.723 3.960 -0.029 0.000 0.218 189 G C 1.414 176.316 174.900 0.002 0.000 1.154 189 G CA 1.096 46.211 45.100 0.024 0.000 0.767 189 G HN 0.518 nan 8.290 nan 0.000 0.552 190 E N -0.097 120.083 120.200 -0.033 0.000 2.051 190 E HA -0.140 4.192 4.350 -0.029 0.000 0.192 190 E C 2.404 178.950 176.600 -0.090 0.000 0.991 190 E CA 1.144 57.497 56.400 -0.079 0.000 0.799 190 E CB -0.449 29.160 29.700 -0.153 0.000 0.748 190 E HN 0.423 nan 8.360 nan 0.000 0.449 191 M N 0.748 120.294 119.600 -0.090 0.000 2.108 191 M HA -0.136 4.326 4.480 -0.029 0.000 0.261 191 M C 2.152 178.428 176.300 -0.039 0.000 1.066 191 M CA 1.194 56.451 55.300 -0.071 0.000 1.107 191 M CB -0.436 32.165 32.600 0.002 0.000 1.356 191 M HN -0.081 nan 8.290 nan 0.000 0.406 192 V N 0.086 119.996 119.914 -0.006 0.000 2.261 192 V HA -0.297 3.806 4.120 -0.029 0.000 0.246 192 V C 2.453 178.563 176.094 0.027 0.000 1.047 192 V CA 2.379 64.693 62.300 0.023 0.000 1.015 192 V CB -1.691 30.163 31.823 0.052 0.000 0.642 192 V HN 0.753 nan 8.190 nan 0.000 0.446 193 T N -1.546 113.024 114.554 0.027 0.000 2.962 193 T HA -0.070 4.262 4.350 -0.029 0.000 0.270 193 T C 1.885 176.575 174.700 -0.016 0.000 1.088 193 T CA 1.343 63.463 62.100 0.033 0.000 1.127 193 T CB -0.621 68.265 68.868 0.031 0.000 0.883 193 T HN 0.492 nan 8.240 nan 0.000 0.493 194 G N 1.119 109.887 108.800 -0.053 0.000 2.422 194 G HA2 0.045 3.988 3.960 -0.029 0.000 0.218 194 G HA3 0.045 3.988 3.960 -0.029 0.000 0.218 194 G C 1.437 176.277 174.900 -0.101 0.000 1.140 194 G CA 0.555 45.598 45.100 -0.095 0.000 0.775 194 G HN 0.574 nan 8.290 nan 0.000 0.545 195 I N -0.578 119.946 120.570 -0.077 0.000 2.494 195 I HA 0.008 4.161 4.170 -0.029 0.000 0.250 195 I C 2.765 178.848 176.117 -0.057 0.000 1.112 195 I CA 0.726 61.981 61.300 -0.075 0.000 1.438 195 I CB 0.104 38.074 38.000 -0.050 0.000 1.111 195 I HN 0.122 nan 8.210 nan 0.000 0.431 196 Q N 0.520 120.287 119.800 -0.054 0.000 2.391 196 Q HA 0.280 4.603 4.340 -0.029 0.000 0.211 196 Q C 0.725 176.634 176.000 -0.152 0.000 0.908 196 Q CA 0.488 56.217 55.803 -0.124 0.000 0.920 196 Q CB 0.951 29.594 28.738 -0.160 0.000 1.056 196 Q HN 0.501 nan 8.270 nan 0.000 0.523 197 G N 1.832 110.602 108.800 -0.050 0.000 2.707 197 G HA2 -0.160 3.782 3.960 -0.029 0.000 0.686 197 G HA3 -0.160 3.782 3.960 -0.029 0.000 0.686 197 G C -1.470 173.507 174.900 0.128 0.000 1.315 197 G CA -0.766 44.338 45.100 0.006 0.000 0.832 197 G HN 0.139 nan 8.290 nan 0.000 0.573 198 D N -0.360 120.119 120.400 0.133 0.000 2.382 198 D HA 0.394 5.016 4.640 -0.029 0.000 0.245 198 D C 1.185 177.651 176.300 0.277 0.000 1.120 198 D CA -0.161 53.940 54.000 0.169 0.000 0.890 198 D CB 1.266 42.116 40.800 0.084 0.000 1.201 198 D HN 0.544 nan 8.370 nan 0.000 0.433 199 V N 1.986 122.022 119.914 0.203 0.000 2.752 199 V HA 0.363 4.465 4.120 -0.029 0.000 0.306 199 V C 1.318 177.421 176.094 0.015 0.000 1.099 199 V CA 1.481 63.757 62.300 -0.040 0.000 1.240 199 V CB -0.141 31.581 31.823 -0.167 0.000 0.887 199 V HN 0.898 nan 8.190 nan 0.000 0.499 200 G N 3.599 112.401 108.800 0.004 0.000 2.265 200 G HA2 0.284 4.226 3.960 -0.029 0.000 0.246 200 G HA3 0.284 4.226 3.960 -0.029 0.000 0.246 200 G C 0.514 175.460 174.900 0.077 0.000 1.299 200 G CA -0.216 44.903 45.100 0.032 0.000 1.117 200 G HN 1.200 nan 8.290 nan 0.000 0.485 201 A N -0.953 121.901 122.820 0.058 0.000 1.969 201 A HA 0.198 4.500 4.320 -0.029 0.000 0.218 201 A C 1.633 179.258 177.584 0.069 0.000 1.169 201 A CA 2.658 54.727 52.037 0.054 0.000 0.635 201 A CB -0.306 18.713 19.000 0.032 0.000 0.810 201 A HN 0.545 nan 8.150 nan 0.000 0.445 202 D N -1.804 118.644 120.400 0.080 0.000 2.342 202 D HA 0.209 4.832 4.640 -0.029 0.000 0.221 202 D C -0.138 176.221 176.300 0.097 0.000 1.101 202 D CA -0.270 53.767 54.000 0.063 0.000 0.837 202 D CB -0.278 40.542 40.800 0.033 0.000 0.938 202 D HN 0.406 nan 8.370 nan 0.000 0.508 203 F N 1.103 121.055 119.950 0.003 0.000 2.578 203 F HA 0.042 4.551 4.527 -0.029 0.000 0.381 203 F C 0.910 176.723 175.800 0.022 0.000 1.069 203 F CA -0.143 57.869 58.000 0.019 0.000 1.231 203 F CB 0.230 39.245 39.000 0.026 0.000 1.086 203 F HN -0.055 nan 8.300 nan 0.000 0.564 204 L N 3.935 124.841 121.223 -0.528 0.000 3.737 204 L HA -0.327 3.995 4.340 -0.029 0.000 0.418 204 L C -0.456 176.269 176.870 -0.242 0.000 1.216 204 L CA 0.414 55.046 54.840 -0.346 0.000 0.915 204 L CB -1.549 40.301 42.059 -0.348 0.000 1.834 204 L HN 0.529 nan 8.230 nan 0.000 0.943 205 K N 0.241 120.536 120.400 -0.175 0.000 2.156 205 K HA 0.702 5.004 4.320 -0.029 0.000 0.254 205 K C 1.017 177.529 176.600 -0.147 0.000 0.950 205 K CA 0.290 56.466 56.287 -0.184 0.000 0.849 205 K CB 1.790 34.234 32.500 -0.093 0.000 1.100 205 K HN 0.130 nan 8.250 nan 0.000 0.434 206 G N 1.655 110.353 108.800 -0.170 0.000 2.629 206 G HA2 -0.420 3.523 3.960 -0.029 0.000 0.313 206 G HA3 -0.420 3.523 3.960 -0.029 0.000 0.313 206 G C 0.968 175.875 174.900 0.012 0.000 1.217 206 G CA 1.085 46.147 45.100 -0.064 0.000 0.994 206 G HN 0.656 nan 8.290 nan 0.000 0.549 207 S N 0.825 116.568 115.700 0.071 0.000 2.474 207 S HA 0.031 4.483 4.470 -0.029 0.000 0.235 207 S C 0.881 175.527 174.600 0.076 0.000 0.997 207 S CA 1.161 59.426 58.200 0.109 0.000 0.949 207 S CB -0.499 62.692 63.200 -0.014 0.000 0.766 207 S HN 0.758 nan 8.310 nan 0.000 0.517 208 N N 1.841 120.565 118.700 0.040 0.000 2.395 208 N HA 0.127 4.850 4.740 -0.029 0.000 0.246 208 N C -0.236 175.411 175.510 0.228 0.000 1.246 208 N CA -0.014 53.064 53.050 0.046 0.000 0.879 208 N CB 0.340 38.811 38.487 -0.027 0.000 1.098 208 N HN 0.210 nan 8.380 nan 0.000 0.444 209 R N 1.609 122.191 120.500 0.136 0.000 2.778 209 R HA 0.402 4.725 4.340 -0.029 0.000 0.277 209 R C -0.346 176.000 176.300 0.077 0.000 0.977 209 R CA -0.921 55.259 56.100 0.134 0.000 0.950 209 R CB 1.010 31.317 30.300 0.012 0.000 1.165 209 R HN 0.526 nan 8.270 nan 0.000 0.474 210 I N 2.134 122.700 120.570 -0.006 0.000 2.664 210 I HA -0.029 4.123 4.170 -0.029 0.000 0.284 210 I C 0.867 177.103 176.117 0.199 0.000 1.154 210 I CA 0.463 61.777 61.300 0.023 0.000 1.402 210 I CB 0.362 38.266 38.000 -0.159 0.000 1.395 210 I HN 0.517 nan 8.210 nan 0.000 0.545 211 A N 5.243 128.166 122.820 0.171 0.000 2.281 211 A HA 0.830 5.132 4.320 -0.029 0.000 0.329 211 A C -0.132 177.622 177.584 0.282 0.000 1.122 211 A CA -0.392 51.776 52.037 0.219 0.000 0.850 211 A CB 1.048 20.114 19.000 0.109 0.000 1.207 211 A HN 0.610 nan 8.150 nan 0.000 0.495 212 T N 1.146 115.867 114.554 0.278 0.000 2.949 212 T HA 0.567 4.900 4.350 -0.029 0.000 0.300 212 T C -0.346 174.381 174.700 0.045 0.000 0.988 212 T CA 0.096 62.320 62.100 0.206 0.000 0.993 212 T CB 1.212 70.291 68.868 0.352 0.000 0.984 212 T HN 1.120 nan 8.240 nan 0.000 0.442 213 A N 4.431 127.236 122.820 -0.026 0.000 2.320 213 A HA 0.665 4.968 4.320 -0.029 0.000 0.287 213 A C 0.274 177.808 177.584 -0.084 0.000 1.181 213 A CA -0.522 51.450 52.037 -0.108 0.000 0.831 213 A CB 0.218 19.089 19.000 -0.216 0.000 1.102 213 A HN 0.777 nan 8.150 nan 0.000 0.513 214 K N 2.612 122.911 120.400 -0.167 0.000 2.385 214 K HA 0.683 4.986 4.320 -0.029 0.000 0.248 214 K C -1.539 175.046 176.600 -0.026 0.000 0.955 214 K CA -0.835 55.295 56.287 -0.262 0.000 0.816 214 K CB 1.522 33.509 32.500 -0.856 0.000 1.250 214 K HN 0.704 nan 8.250 nan 0.000 0.434 215 H N 0.450 119.642 119.070 0.203 0.000 2.524 215 H HA 0.340 4.878 4.556 -0.030 0.000 0.353 215 H C -1.640 173.827 175.328 0.231 0.000 1.136 215 H CA -0.605 55.561 56.048 0.197 0.000 1.193 215 H CB 1.416 31.254 29.762 0.126 0.000 1.558 215 H HN 0.532 nan 8.280 nan 0.000 0.515 216 F N 3.601 123.556 119.950 0.008 0.000 2.390 216 F HA 0.484 4.993 4.527 -0.029 0.000 0.361 216 F C -0.712 174.932 175.800 -0.259 0.000 1.124 216 F CA -0.251 57.529 58.000 -0.366 0.000 1.149 216 F CB 0.194 38.758 39.000 -0.728 0.000 1.160 216 F HN 0.320 nan 8.300 nan 0.000 0.501 217 V N 5.038 124.608 119.914 -0.574 0.000 3.204 217 V HA 0.662 4.765 4.120 -0.029 0.000 0.298 217 V C -0.024 175.782 176.094 -0.480 0.000 1.328 217 V CA 0.035 61.883 62.300 -0.754 0.000 1.035 217 V CB 1.696 32.505 31.823 -1.689 0.000 1.095 217 V HN 1.053 nan 8.190 nan 0.000 0.442 218 G N 3.631 112.200 108.800 -0.385 0.000 2.141 218 G HA2 -0.201 3.741 3.960 -0.029 0.000 0.242 218 G HA3 -0.201 3.741 3.960 -0.029 0.000 0.242 218 G C 0.321 174.917 174.900 -0.507 0.000 0.982 218 G CA 0.926 45.685 45.100 -0.567 0.000 0.662 218 G HN 1.351 nan 8.290 nan 0.000 0.527 219 D N 0.540 120.752 120.400 -0.314 0.000 2.263 219 D HA 0.038 4.660 4.640 -0.029 0.000 0.208 219 D C 1.994 177.767 176.300 -0.878 0.000 0.971 219 D CA 1.399 55.155 54.000 -0.407 0.000 0.867 219 D CB -1.004 39.743 40.800 -0.089 0.000 0.929 219 D HN 0.787 nan 8.370 nan 0.000 0.492 220 G N -0.416 108.086 108.800 -0.496 0.000 3.181 220 G HA2 0.305 4.247 3.960 -0.029 0.000 0.219 220 G HA3 0.305 4.247 3.960 -0.029 0.000 0.219 220 G C 1.063 175.858 174.900 -0.175 0.000 1.182 220 G CA 0.101 45.002 45.100 -0.332 0.000 0.791 220 G HN 0.454 nan 8.290 nan 0.000 0.537 221 G N 0.286 108.833 108.800 -0.421 0.000 3.735 221 G HA2 0.299 4.241 3.960 -0.029 0.000 0.283 221 G HA3 0.299 4.241 3.960 -0.029 0.000 0.283 221 G C 0.645 175.409 174.900 -0.227 0.000 1.007 221 G CA 0.358 45.294 45.100 -0.273 0.000 0.821 221 G HN 0.417 nan 8.290 nan 0.000 0.505 222 T N -0.699 113.665 114.554 -0.318 0.000 2.884 222 T HA 0.341 4.673 4.350 -0.029 0.000 0.298 222 T C 0.023 174.648 174.700 -0.126 0.000 0.998 222 T CA -0.522 61.442 62.100 -0.227 0.000 1.124 222 T CB 1.731 70.418 68.868 -0.301 0.000 0.931 222 T HN 0.017 nan 8.240 nan 0.000 0.531 223 E N 2.176 122.343 120.200 -0.056 0.000 2.529 223 E HA -0.019 4.313 4.350 -0.029 0.000 0.259 223 E C 0.963 177.540 176.600 -0.040 0.000 0.966 223 E CA 0.358 56.748 56.400 -0.017 0.000 0.937 223 E CB 0.198 29.914 29.700 0.027 0.000 0.923 223 E HN 0.775 nan 8.360 nan 0.000 0.468 224 R N 1.281 121.750 120.500 -0.051 0.000 3.946 224 R HA -0.261 4.061 4.340 -0.029 0.000 0.329 224 R C 1.006 177.248 176.300 -0.096 0.000 1.209 224 R CA 0.580 56.610 56.100 -0.116 0.000 0.909 224 R CB -2.188 28.021 30.300 -0.152 0.000 1.355 224 R HN 0.921 nan 8.270 nan 0.000 0.539 225 G N -0.309 108.457 108.800 -0.057 0.000 2.225 225 G HA2 -0.327 3.615 3.960 -0.029 0.000 0.267 225 G HA3 -0.327 3.615 3.960 -0.029 0.000 0.267 225 G C 0.206 175.120 174.900 0.023 0.000 1.024 225 G CA 0.198 45.292 45.100 -0.010 0.000 0.784 225 G HN 0.270 nan 8.290 nan 0.000 0.507 226 V N 0.522 120.407 119.914 -0.049 0.000 2.508 226 V HA 0.285 4.387 4.120 -0.029 0.000 0.281 226 V C 0.840 176.959 176.094 0.041 0.000 1.041 226 V CA -0.328 61.970 62.300 -0.003 0.000 1.016 226 V CB 1.383 33.178 31.823 -0.047 0.000 0.984 226 V HN 0.436 nan 8.190 nan 0.000 0.478 227 D N 4.738 125.287 120.400 0.247 0.000 2.450 227 D HA 0.140 4.762 4.640 -0.029 0.000 0.247 227 D C 1.026 177.407 176.300 0.136 0.000 1.162 227 D CA 0.304 54.554 54.000 0.417 0.000 0.879 227 D CB 0.164 41.274 40.800 0.517 0.000 1.163 227 D HN 0.587 nan 8.370 nan 0.000 0.472 228 R N 1.347 121.919 120.500 0.120 0.000 3.878 228 R HA -0.144 4.179 4.340 -0.029 0.000 0.330 228 R C 0.825 177.088 176.300 -0.061 0.000 1.186 228 R CA 0.514 56.609 56.100 -0.009 0.000 0.885 228 R CB -2.350 27.814 30.300 -0.227 0.000 1.377 228 R HN 0.509 nan 8.270 nan 0.000 0.523 229 G N 0.862 109.622 108.800 -0.067 0.000 2.485 229 G HA2 0.201 4.143 3.960 -0.029 0.000 0.260 229 G HA3 0.201 4.143 3.960 -0.029 0.000 0.260 229 G C -0.239 174.640 174.900 -0.036 0.000 1.459 229 G CA -0.180 44.889 45.100 -0.052 0.000 1.060 229 G HN 0.159 nan 8.290 nan 0.000 0.546 230 N N -0.843 117.853 118.700 -0.007 0.000 2.446 230 N HA 0.341 5.064 4.740 -0.029 0.000 0.265 230 N C -0.711 174.793 175.510 -0.011 0.000 0.975 230 N CA -0.337 52.717 53.050 0.006 0.000 0.928 230 N CB 1.181 39.683 38.487 0.026 0.000 1.160 230 N HN 0.203 nan 8.380 nan 0.000 0.495 231 T N 4.380 118.934 114.554 -0.001 0.000 2.729 231 T HA 0.242 4.574 4.350 -0.029 0.000 0.296 231 T C 0.305 175.065 174.700 0.099 0.000 0.928 231 T CA -0.220 61.879 62.100 -0.002 0.000 1.045 231 T CB 0.087 68.910 68.868 -0.074 0.000 0.902 231 T HN 0.329 nan 8.240 nan 0.000 0.500 232 L N 5.638 126.899 121.223 0.063 0.000 2.314 232 L HA 0.600 4.923 4.340 -0.029 0.000 0.275 232 L C -0.450 176.484 176.870 0.108 0.000 1.068 232 L CA -0.283 54.591 54.840 0.057 0.000 0.894 232 L CB 0.175 42.245 42.059 0.018 0.000 1.275 232 L HN 0.607 nan 8.230 nan 0.000 0.432 233 I N 1.882 122.573 120.570 0.202 0.000 2.841 233 I HA 0.221 4.373 4.170 -0.029 0.000 0.298 233 I C -1.011 175.324 176.117 0.363 0.000 1.304 233 I CA -0.715 60.734 61.300 0.249 0.000 1.019 233 I CB 2.656 40.804 38.000 0.247 0.000 1.282 233 I HN 0.437 nan 8.210 nan 0.000 0.432 234 D N 4.804 125.354 120.400 0.250 0.000 2.360 234 D HA 0.014 4.636 4.640 -0.029 0.000 0.242 234 D C 0.597 177.115 176.300 0.364 0.000 1.184 234 D CA -0.013 54.151 54.000 0.273 0.000 0.930 234 D CB 1.136 42.023 40.800 0.146 0.000 1.161 234 D HN 0.657 nan 8.370 nan 0.000 0.447 235 E N 0.160 120.621 120.200 0.435 0.000 2.118 235 E HA -0.245 4.087 4.350 -0.029 0.000 0.195 235 E C 1.776 178.432 176.600 0.094 0.000 0.992 235 E CA 1.108 57.751 56.400 0.405 0.000 0.804 235 E CB 0.084 30.091 29.700 0.512 0.000 0.741 235 E HN 0.525 nan 8.360 nan 0.000 0.458 236 K N -0.506 119.917 120.400 0.038 0.000 2.147 236 K HA -0.121 4.181 4.320 -0.029 0.000 0.205 236 K C 1.981 178.523 176.600 -0.096 0.000 1.049 236 K CA 1.359 57.592 56.287 -0.090 0.000 0.936 236 K CB -0.198 32.276 32.500 -0.044 0.000 0.722 236 K HN 0.187 nan 8.250 nan 0.000 0.446 237 G N 0.918 109.714 108.800 -0.006 0.000 2.403 237 G HA2 -0.202 3.740 3.960 -0.029 0.000 0.216 237 G HA3 -0.202 3.740 3.960 -0.029 0.000 0.216 237 G C 1.325 176.227 174.900 0.005 0.000 1.154 237 G CA 0.410 45.511 45.100 0.002 0.000 0.784 237 G HN 0.257 nan 8.290 nan 0.000 0.538 238 L N 0.514 121.746 121.223 0.015 0.000 2.093 238 L HA 0.152 4.475 4.340 -0.029 0.000 0.208 238 L C 2.665 179.501 176.870 -0.057 0.000 1.085 238 L CA 1.730 56.566 54.840 -0.007 0.000 0.755 238 L CB -0.439 41.505 42.059 -0.191 0.000 0.904 238 L HN 0.224 nan 8.230 nan 0.000 0.435 239 R N -0.803 119.512 120.500 -0.308 0.000 2.057 239 R HA -0.118 4.204 4.340 -0.029 0.000 0.229 239 R C 1.661 177.840 176.300 -0.202 0.000 1.136 239 R CA 1.744 57.510 56.100 -0.556 0.000 0.952 239 R CB -0.183 29.438 30.300 -1.132 0.000 0.848 239 R HN 0.364 nan 8.270 nan 0.000 0.430 240 D N -0.196 120.105 120.400 -0.165 0.000 2.249 240 D HA -0.024 4.599 4.640 -0.029 0.000 0.205 240 D C 1.815 178.027 176.300 -0.148 0.000 0.962 240 D CA 0.949 54.889 54.000 -0.099 0.000 0.860 240 D CB 0.286 41.030 40.800 -0.092 0.000 0.955 240 D HN 0.345 nan 8.370 nan 0.000 0.505 241 I N -0.719 119.724 120.570 -0.211 0.000 3.039 241 I HA -0.053 4.099 4.170 -0.029 0.000 0.270 241 I C 1.412 177.257 176.117 -0.453 0.000 1.150 241 I CA 0.426 61.508 61.300 -0.364 0.000 1.448 241 I CB 0.219 37.916 38.000 -0.506 0.000 1.197 241 I HN -0.090 nan 8.210 nan 0.000 0.450 242 H N -1.034 117.956 119.070 -0.134 0.000 2.622 242 H HA 0.215 4.753 4.556 -0.029 0.000 0.269 242 H C 1.749 177.001 175.328 -0.126 0.000 0.977 242 H CA 0.311 56.283 56.048 -0.127 0.000 1.179 242 H CB 0.553 30.226 29.762 -0.149 0.000 1.458 242 H HN 0.038 nan 8.280 nan 0.000 0.531 243 S N -0.211 115.406 115.700 -0.138 0.000 2.539 243 S HA 0.192 4.644 4.470 -0.029 0.000 0.221 243 S C 2.120 176.316 174.600 -0.672 0.000 0.987 243 S CA 0.372 58.444 58.200 -0.213 0.000 0.929 243 S CB 0.550 63.705 63.200 -0.075 0.000 0.832 243 S HN 0.500 nan 8.310 nan 0.000 0.492 244 A N 1.991 124.443 122.820 -0.614 0.000 1.917 244 A HA -0.053 4.249 4.320 -0.029 0.000 0.219 244 A C 2.261 179.674 177.584 -0.284 0.000 1.182 244 A CA 1.950 53.659 52.037 -0.546 0.000 0.633 244 A CB -1.447 17.430 19.000 -0.205 0.000 0.819 244 A HN 0.516 nan 8.150 nan 0.000 0.448 245 G N -2.066 106.618 108.800 -0.193 0.000 2.450 245 G HA2 -0.211 3.732 3.960 -0.029 0.000 0.220 245 G HA3 -0.211 3.732 3.960 -0.029 0.000 0.220 245 G C 1.406 176.153 174.900 -0.255 0.000 1.130 245 G CA 1.216 46.203 45.100 -0.188 0.000 0.760 245 G HN 0.595 nan 8.290 nan 0.000 0.557 246 Y N -0.254 119.998 120.300 -0.081 0.000 2.314 246 Y HA 0.103 4.636 4.550 -0.030 0.000 0.293 246 Y C 2.491 178.492 175.900 0.168 0.000 1.129 246 Y CA 0.320 58.430 58.100 0.016 0.000 1.201 246 Y CB -0.268 38.235 38.460 0.071 0.000 0.999 246 Y HN 0.103 nan 8.280 nan 0.000 0.541 247 F N -0.097 119.966 119.950 0.189 0.000 2.154 247 F HA -0.271 4.239 4.527 -0.030 0.000 0.301 247 F C 2.548 178.384 175.800 0.061 0.000 1.087 247 F CA 1.328 59.397 58.000 0.114 0.000 1.274 247 F CB -1.469 37.587 39.000 0.093 0.000 1.009 247 F HN 0.096 nan 8.300 nan 0.000 0.485 248 S N -0.721 115.108 115.700 0.216 0.000 2.475 248 S HA 0.287 4.739 4.470 -0.029 0.000 0.224 248 S C 2.183 176.831 174.600 0.080 0.000 1.042 248 S CA 0.301 58.574 58.200 0.121 0.000 0.935 248 S CB -0.692 62.562 63.200 0.089 0.000 0.801 248 S HN 0.191 nan 8.310 nan 0.000 0.509 249 A N 2.570 125.416 122.820 0.042 0.000 1.865 249 A HA 0.021 4.324 4.320 -0.029 0.000 0.217 249 A C 2.153 179.791 177.584 0.091 0.000 1.191 249 A CA 1.719 53.770 52.037 0.023 0.000 0.623 249 A CB -0.965 17.977 19.000 -0.096 0.000 0.826 249 A HN 0.528 nan 8.150 nan 0.000 0.444 250 I N -0.402 120.243 120.570 0.125 0.000 2.315 250 I HA -0.224 3.928 4.170 -0.029 0.000 0.248 250 I C 2.344 178.526 176.117 0.108 0.000 1.117 250 I CA 1.549 62.948 61.300 0.166 0.000 1.404 250 I CB -0.475 37.633 38.000 0.180 0.000 1.071 250 I HN 0.495 nan 8.210 nan 0.000 0.419 251 N N 0.719 119.468 118.700 0.083 0.000 2.104 251 N HA -0.226 4.496 4.740 -0.029 0.000 0.190 251 N C 1.627 177.164 175.510 0.045 0.000 1.024 251 N CA 1.246 54.321 53.050 0.043 0.000 0.853 251 N CB 0.064 38.581 38.487 0.050 0.000 1.008 251 N HN 0.190 nan 8.380 nan 0.000 0.424 252 Q N -0.356 119.487 119.800 0.072 0.000 2.282 252 Q HA 0.179 4.501 4.340 -0.029 0.000 0.205 252 Q C 0.494 176.575 176.000 0.135 0.000 0.915 252 Q CA 0.527 56.380 55.803 0.083 0.000 0.949 252 Q CB -0.057 28.731 28.738 0.084 0.000 1.035 252 Q HN 0.526 nan 8.270 nan 0.000 0.484 253 G N 0.736 109.606 108.800 0.117 0.000 2.198 253 G HA2 -0.272 3.671 3.960 -0.029 0.000 0.257 253 G HA3 -0.272 3.671 3.960 -0.029 0.000 0.257 253 G C 0.207 175.300 174.900 0.321 0.000 1.042 253 G CA 0.393 45.586 45.100 0.154 0.000 0.791 253 G HN 0.348 nan 8.290 nan 0.000 0.502 254 V N 0.295 120.371 119.914 0.271 0.000 2.617 254 V HA 0.115 4.218 4.120 -0.029 0.000 0.304 254 V C 1.635 177.949 176.094 0.367 0.000 1.040 254 V CA 0.913 63.373 62.300 0.267 0.000 1.149 254 V CB 1.226 33.144 31.823 0.157 0.000 0.914 254 V HN 0.494 nan 8.190 nan 0.000 0.487 255 Q N 3.556 123.526 119.800 0.284 0.000 2.245 255 Q HA 0.107 4.429 4.340 -0.029 0.000 0.201 255 Q C 0.795 176.878 176.000 0.138 0.000 0.955 255 Q CA 0.895 56.843 55.803 0.241 0.000 0.870 255 Q CB 0.349 29.209 28.738 0.203 0.000 0.945 255 Q HN 0.735 nan 8.270 nan 0.000 0.461 256 S N -0.643 115.101 115.700 0.073 0.000 2.540 256 S HA 0.566 5.018 4.470 -0.029 0.000 0.275 256 S C -1.383 173.135 174.600 -0.136 0.000 1.123 256 S CA -0.634 57.406 58.200 -0.266 0.000 0.907 256 S CB 1.723 64.612 63.200 -0.518 0.000 1.081 256 S HN -0.110 nan 8.310 nan 0.000 0.476 257 V N 5.107 124.862 119.914 -0.264 0.000 2.588 257 V HA 0.540 4.643 4.120 -0.029 0.000 0.304 257 V C -0.281 175.701 176.094 -0.186 0.000 1.042 257 V CA -0.639 61.473 62.300 -0.313 0.000 0.877 257 V CB 1.874 33.244 31.823 -0.756 0.000 0.996 257 V HN 0.956 nan 8.190 nan 0.000 0.425 258 M N 4.310 123.832 119.600 -0.129 0.000 2.180 258 M HA 0.702 5.164 4.480 -0.029 0.000 0.350 258 M C 0.274 176.547 176.300 -0.045 0.000 1.125 258 M CA -0.398 54.830 55.300 -0.120 0.000 1.031 258 M CB 1.308 33.760 32.600 -0.247 0.000 1.623 258 M HN 0.819 nan 8.290 nan 0.000 0.451 259 A N 3.298 126.056 122.820 -0.103 0.000 2.346 259 A HA 0.516 4.819 4.320 -0.029 0.000 0.252 259 A C -0.078 177.441 177.584 -0.109 0.000 1.089 259 A CA -0.277 51.604 52.037 -0.260 0.000 0.797 259 A CB 0.190 18.740 19.000 -0.749 0.000 1.047 259 A HN 0.875 nan 8.150 nan 0.000 0.494 260 S N -0.417 115.218 115.700 -0.109 0.000 2.549 260 S HA 0.597 5.050 4.470 -0.029 0.000 0.297 260 S C 0.189 174.879 174.600 0.149 0.000 1.115 260 S CA -0.475 57.756 58.200 0.052 0.000 1.059 260 S CB 0.720 63.938 63.200 0.029 0.000 1.046 260 S HN 0.433 nan 8.310 nan 0.000 0.506 261 F N 2.232 122.285 119.950 0.172 0.000 2.234 261 F HA 0.030 4.539 4.527 -0.030 0.000 0.299 261 F C 1.402 177.222 175.800 0.033 0.000 1.087 261 F CA 0.790 58.858 58.000 0.114 0.000 1.340 261 F CB -0.750 38.268 39.000 0.029 0.000 1.031 261 F HN 0.780 nan 8.300 nan 0.000 0.500 262 N N -0.833 117.974 118.700 0.178 0.000 2.371 262 N HA 0.128 4.850 4.740 -0.029 0.000 0.243 262 N C -0.245 175.310 175.510 0.075 0.000 1.287 262 N CA -0.274 52.810 53.050 0.057 0.000 0.911 262 N CB 0.420 38.873 38.487 -0.057 0.000 1.142 262 N HN -0.165 nan 8.380 nan 0.000 0.451 263 S N -0.854 114.880 115.700 0.056 0.000 2.646 263 S HA 0.295 4.747 4.470 -0.029 0.000 0.276 263 S C -1.357 173.333 174.600 0.150 0.000 1.222 263 S CA -0.629 57.628 58.200 0.095 0.000 1.014 263 S CB 0.192 63.428 63.200 0.059 0.000 0.991 263 S HN 0.654 nan 8.310 nan 0.000 0.533 264 W N 2.978 124.256 121.300 -0.037 0.000 2.411 264 W HA 0.428 5.070 4.660 -0.030 0.000 0.317 264 W C -0.536 175.971 176.519 -0.020 0.000 1.030 264 W CA -1.065 56.255 57.345 -0.042 0.000 1.239 264 W CB -0.267 29.172 29.460 -0.035 0.000 1.304 264 W HN 0.733 nan 8.180 nan 0.000 0.437 265 N N 4.316 122.854 118.700 -0.268 0.000 2.714 265 N HA -0.196 4.526 4.740 -0.029 0.000 0.252 265 N C 0.934 176.309 175.510 -0.225 0.000 1.014 265 N CA 2.226 55.068 53.050 -0.348 0.000 0.735 265 N CB -1.333 36.769 38.487 -0.642 0.000 0.924 265 N HN 1.328 nan 8.380 nan 0.000 0.540 266 G N -1.237 107.494 108.800 -0.114 0.000 2.176 266 G HA2 -0.348 3.594 3.960 -0.029 0.000 0.253 266 G HA3 -0.348 3.594 3.960 -0.029 0.000 0.253 266 G C -0.052 174.824 174.900 -0.039 0.000 0.979 266 G CA 0.673 45.725 45.100 -0.080 0.000 0.641 266 G HN 0.697 nan 8.290 nan 0.000 0.530 267 K N 0.831 121.222 120.400 -0.015 0.000 2.450 267 K HA 0.517 4.819 4.320 -0.029 0.000 0.257 267 K C 0.537 177.198 176.600 0.101 0.000 0.953 267 K CA -1.109 55.198 56.287 0.033 0.000 0.844 267 K CB 0.591 33.101 32.500 0.016 0.000 1.103 267 K HN 0.013 nan 8.250 nan 0.000 0.429 268 R N 3.027 123.592 120.500 0.107 0.000 2.486 268 R HA -0.053 4.269 4.340 -0.029 0.000 0.304 268 R C 0.976 177.384 176.300 0.179 0.000 0.913 268 R CA 0.166 56.359 56.100 0.154 0.000 1.124 268 R CB 0.085 30.491 30.300 0.177 0.000 0.891 268 R HN 0.540 nan 8.270 nan 0.000 0.410 269 V N 3.591 123.611 119.914 0.177 0.000 2.490 269 V HA -0.226 3.876 4.120 -0.029 0.000 0.250 269 V C 2.077 178.224 176.094 0.088 0.000 1.061 269 V CA 1.531 63.903 62.300 0.121 0.000 1.064 269 V CB -0.694 31.146 31.823 0.029 0.000 0.670 269 V HN 0.723 nan 8.190 nan 0.000 0.461 270 H N -0.093 119.036 119.070 0.097 0.000 2.518 270 H HA -0.045 4.493 4.556 -0.030 0.000 0.289 270 H C 2.059 177.452 175.328 0.108 0.000 1.051 270 H CA 1.279 57.385 56.048 0.098 0.000 1.280 270 H CB 0.119 29.947 29.762 0.111 0.000 1.380 270 H HN 0.526 nan 8.280 nan 0.000 0.566 271 G N -0.368 108.554 108.800 0.203 0.000 3.453 271 G HA2 -0.057 3.885 3.960 -0.029 0.000 0.263 271 G HA3 -0.057 3.885 3.960 -0.029 0.000 0.263 271 G C -0.224 174.752 174.900 0.126 0.000 1.060 271 G CA -0.184 45.008 45.100 0.153 0.000 0.793 271 G HN 0.078 nan 8.290 nan 0.000 0.532 272 D N 0.889 121.368 120.400 0.131 0.000 2.443 272 D HA 0.207 4.830 4.640 -0.029 0.000 0.221 272 D C 1.250 177.626 176.300 0.127 0.000 1.097 272 D CA -0.382 53.709 54.000 0.152 0.000 0.865 272 D CB 1.297 42.224 40.800 0.212 0.000 1.034 272 D HN 0.084 nan 8.370 nan 0.000 0.511 273 K N 2.624 123.095 120.400 0.118 0.000 2.097 273 K HA -0.245 4.057 4.320 -0.029 0.000 0.206 273 K C 1.580 178.235 176.600 0.093 0.000 1.049 273 K CA 1.060 57.400 56.287 0.089 0.000 0.933 273 K CB -0.016 32.534 32.500 0.085 0.000 0.717 273 K HN 0.447 nan 8.250 nan 0.000 0.442 274 H N 0.544 119.654 119.070 0.067 0.000 2.390 274 H HA -0.111 4.427 4.556 -0.029 0.000 0.298 274 H C 1.758 177.086 175.328 0.000 0.000 1.106 274 H CA 1.985 58.071 56.048 0.063 0.000 1.297 274 H CB -0.038 29.811 29.762 0.146 0.000 1.375 274 H HN 0.145 nan 8.280 nan 0.000 0.509 275 L N -0.694 120.501 121.223 -0.047 0.000 2.034 275 L HA -0.070 4.253 4.340 -0.029 0.000 0.203 275 L C 2.394 179.194 176.870 -0.118 0.000 1.074 275 L CA 0.895 55.659 54.840 -0.126 0.000 0.748 275 L CB -0.294 41.779 42.059 0.023 0.000 0.905 275 L HN 0.289 nan 8.230 nan 0.000 0.439 276 L N -1.187 119.991 121.223 -0.075 0.000 2.291 276 L HA -0.099 4.223 4.340 -0.029 0.000 0.214 276 L C 2.058 178.821 176.870 -0.180 0.000 1.120 276 L CA 0.890 55.636 54.840 -0.157 0.000 0.799 276 L CB -0.428 41.587 42.059 -0.073 0.000 0.925 276 L HN 0.312 nan 8.230 nan 0.000 0.446 277 T N -2.308 112.165 114.554 -0.135 0.000 3.205 277 T HA -0.067 4.265 4.350 -0.029 0.000 0.238 277 T C 1.280 175.895 174.700 -0.141 0.000 0.974 277 T CA 0.426 62.465 62.100 -0.102 0.000 1.246 277 T CB 0.088 68.937 68.868 -0.033 0.000 1.007 277 T HN 0.120 nan 8.240 nan 0.000 0.414 278 D N 0.891 121.194 120.400 -0.162 0.000 2.144 278 D HA -0.055 4.567 4.640 -0.029 0.000 0.200 278 D C 1.933 178.062 176.300 -0.286 0.000 0.978 278 D CA 0.800 54.704 54.000 -0.160 0.000 0.833 278 D CB -0.041 40.712 40.800 -0.079 0.000 0.961 278 D HN 0.126 nan 8.370 nan 0.000 0.470 279 V N 0.037 119.645 119.914 -0.510 0.000 2.326 279 V HA -0.055 4.047 4.120 -0.029 0.000 0.238 279 V C 2.287 178.090 176.094 -0.485 0.000 1.038 279 V CA 1.105 62.978 62.300 -0.711 0.000 1.032 279 V CB -0.512 30.573 31.823 -1.230 0.000 0.675 279 V HN 0.235 nan 8.190 nan 0.000 0.467 280 L N 0.271 121.178 121.223 -0.527 0.000 2.027 280 L HA -0.123 4.199 4.340 -0.029 0.000 0.206 280 L C 2.250 178.990 176.870 -0.216 0.000 1.074 280 L CA 2.100 56.588 54.840 -0.586 0.000 0.745 280 L CB -0.615 40.833 42.059 -1.018 0.000 0.898 280 L HN 0.199 nan 8.230 nan 0.000 0.433 281 K N -1.216 119.106 120.400 -0.130 0.000 2.242 281 K HA 0.050 4.352 4.320 -0.029 0.000 0.200 281 K C 1.720 178.329 176.600 0.014 0.000 1.050 281 K CA 0.711 56.995 56.287 -0.004 0.000 0.981 281 K CB 0.023 32.521 32.500 -0.004 0.000 0.795 281 K HN 0.297 nan 8.250 nan 0.000 0.477 282 N N 1.081 119.772 118.700 -0.016 0.000 2.244 282 N HA -0.056 4.667 4.740 -0.029 0.000 0.189 282 N C 1.801 177.374 175.510 0.105 0.000 1.047 282 N CA 1.104 54.177 53.050 0.037 0.000 0.870 282 N CB -0.204 38.288 38.487 0.008 0.000 1.041 282 N HN 0.123 nan 8.380 nan 0.000 0.448 283 Q N 0.389 120.222 119.800 0.055 0.000 2.049 283 Q HA 0.097 4.419 4.340 -0.029 0.000 0.198 283 Q C 2.154 178.273 176.000 0.198 0.000 0.971 283 Q CA 0.817 56.709 55.803 0.148 0.000 0.833 283 Q CB -0.055 28.764 28.738 0.135 0.000 0.896 283 Q HN 0.287 nan 8.270 nan 0.000 0.434 284 L N -1.070 120.202 121.223 0.082 0.000 2.156 284 L HA -0.015 4.307 4.340 -0.029 0.000 0.208 284 L C 1.419 178.198 176.870 -0.151 0.000 1.095 284 L CA 0.942 55.803 54.840 0.035 0.000 0.770 284 L CB -0.346 41.753 42.059 0.067 0.000 0.914 284 L HN 0.535 nan 8.230 nan 0.000 0.439 285 G N -0.392 108.395 108.800 -0.022 0.000 2.141 285 G HA2 -0.322 3.620 3.960 -0.029 0.000 0.231 285 G HA3 -0.322 3.620 3.960 -0.029 0.000 0.231 285 G C 0.194 175.086 174.900 -0.013 0.000 0.984 285 G CA -0.240 44.857 45.100 -0.005 0.000 0.660 285 G HN 0.172 nan 8.290 nan 0.000 0.525 286 F N 1.866 121.736 119.950 -0.134 0.000 2.549 286 F HA 0.347 4.856 4.527 -0.030 0.000 0.400 286 F C 1.013 176.782 175.800 -0.052 0.000 1.011 286 F CA 0.485 58.422 58.000 -0.105 0.000 1.148 286 F CB 0.650 39.556 39.000 -0.156 0.000 0.993 286 F HN 0.074 nan 8.300 nan 0.000 0.540 287 D N 3.587 123.610 120.400 -0.628 0.000 2.379 287 D HA 0.179 4.802 4.640 -0.029 0.000 0.208 287 D C 1.152 177.039 176.300 -0.688 0.000 1.065 287 D CA 0.637 54.342 54.000 -0.491 0.000 0.848 287 D CB 0.068 40.741 40.800 -0.211 0.000 0.949 287 D HN 0.630 nan 8.370 nan 0.000 0.509 288 G N -0.404 107.501 108.800 -1.491 0.000 2.504 288 G HA2 0.409 4.352 3.960 -0.029 0.000 0.257 288 G HA3 0.409 4.352 3.960 -0.029 0.000 0.257 288 G C -0.242 174.391 174.900 -0.446 0.000 1.451 288 G CA -0.552 44.060 45.100 -0.813 0.000 1.059 288 G HN 0.193 nan 8.290 nan 0.000 0.550 289 F N -1.855 118.098 119.950 0.005 0.000 2.507 289 F HA 0.749 5.260 4.527 -0.027 0.000 0.327 289 F C -0.556 175.440 175.800 0.327 0.000 1.068 289 F CA -1.520 56.574 58.000 0.156 0.000 0.965 289 F CB 1.785 40.876 39.000 0.152 0.000 1.192 289 F HN 0.243 nan 8.300 nan 0.000 0.476 290 V N 3.748 123.832 119.914 0.284 0.000 2.394 290 V HA 0.463 4.566 4.120 -0.029 0.000 0.282 290 V C -0.498 175.705 176.094 0.182 0.000 1.031 290 V CA -0.835 61.539 62.300 0.123 0.000 0.881 290 V CB 1.318 33.179 31.823 0.064 0.000 0.982 290 V HN 0.820 nan 8.190 nan 0.000 0.451 291 V N 5.595 125.578 119.914 0.115 0.000 2.547 291 V HA 0.631 4.733 4.120 -0.029 0.000 0.299 291 V C 0.472 176.620 176.094 0.090 0.000 1.040 291 V CA -0.192 62.214 62.300 0.178 0.000 0.913 291 V CB 2.463 34.481 31.823 0.325 0.000 0.992 291 V HN 1.070 nan 8.190 nan 0.000 0.449 292 S N 4.562 120.339 115.700 0.127 0.000 2.617 292 S HA 0.364 4.816 4.470 -0.029 0.000 0.269 292 S C -0.162 174.518 174.600 0.134 0.000 1.292 292 S CA -0.594 57.752 58.200 0.243 0.000 1.010 292 S CB 1.323 64.654 63.200 0.217 0.000 0.944 292 S HN 0.827 nan 8.310 nan 0.000 0.536 293 D N 0.005 120.479 120.400 0.123 0.000 2.451 293 D HA 0.084 4.706 4.640 -0.029 0.000 0.259 293 D C -0.430 175.909 176.300 0.065 0.000 1.201 293 D CA -0.720 53.245 54.000 -0.059 0.000 1.028 293 D CB 0.602 41.113 40.800 -0.482 0.000 1.095 293 D HN 0.733 nan 8.370 nan 0.000 0.539 294 W N 2.234 123.636 121.300 0.170 0.000 2.591 294 W HA -0.030 4.613 4.660 -0.028 0.000 0.330 294 W C 0.191 176.922 176.519 0.352 0.000 1.435 294 W CA 0.291 57.815 57.345 0.298 0.000 1.350 294 W CB -1.080 28.605 29.460 0.375 0.000 1.434 294 W HN 0.660 nan 8.180 nan 0.000 0.553 295 N N 2.747 121.465 118.700 0.030 0.000 2.678 295 N HA -0.313 4.409 4.740 -0.029 0.000 0.250 295 N C 1.245 176.714 175.510 -0.067 0.000 1.136 295 N CA 0.698 53.685 53.050 -0.106 0.000 0.757 295 N CB -0.789 37.620 38.487 -0.132 0.000 1.135 295 N HN 0.485 nan 8.380 nan 0.000 0.565 296 A N 0.750 123.621 122.820 0.086 0.000 2.024 296 A HA -0.259 4.044 4.320 -0.029 0.000 0.220 296 A C 1.875 179.395 177.584 -0.107 0.000 1.164 296 A CA 1.813 53.834 52.037 -0.027 0.000 0.643 296 A CB -0.783 17.572 19.000 -1.075 0.000 0.806 296 A HN 0.787 nan 8.150 nan 0.000 0.451 297 H N 0.633 119.630 119.070 -0.122 0.000 2.456 297 H HA -0.155 4.383 4.556 -0.029 0.000 0.296 297 H C 1.647 176.971 175.328 -0.007 0.000 1.079 297 H CA 1.558 57.595 56.048 -0.019 0.000 1.322 297 H CB -0.469 29.291 29.762 -0.005 0.000 1.388 297 H HN 0.699 nan 8.280 nan 0.000 0.538 298 K N 0.521 120.545 120.400 -0.627 0.000 2.362 298 K HA -0.067 4.235 4.320 -0.029 0.000 0.200 298 K C 1.087 177.424 176.600 -0.437 0.000 1.046 298 K CA 1.126 57.084 56.287 -0.548 0.000 0.952 298 K CB -0.322 31.716 32.500 -0.770 0.000 0.753 298 K HN 0.182 nan 8.250 nan 0.000 0.466 299 F N 1.803 121.706 119.950 -0.078 0.000 2.743 299 F HA 0.087 4.597 4.527 -0.029 0.000 0.297 299 F C 1.102 176.897 175.800 -0.008 0.000 1.131 299 F CA -0.370 57.609 58.000 -0.035 0.000 1.426 299 F CB 0.278 39.283 39.000 0.009 0.000 1.116 299 F HN -0.103 nan 8.300 nan 0.000 0.583 300 V N 0.946 120.957 119.914 0.161 0.000 2.649 300 V HA 0.223 4.325 4.120 -0.029 0.000 0.292 300 V C 0.388 176.523 176.094 0.067 0.000 1.055 300 V CA -1.250 61.133 62.300 0.137 0.000 1.023 300 V CB 0.649 32.575 31.823 0.172 0.000 0.992 300 V HN 0.235 nan 8.190 nan 0.000 0.480 301 E N 4.723 124.951 120.200 0.046 0.000 2.924 301 E HA 0.092 4.425 4.350 -0.029 0.000 0.236 301 E C 1.065 177.666 176.600 0.001 0.000 1.028 301 E CA 0.800 57.201 56.400 0.002 0.000 0.952 301 E CB -0.832 28.868 29.700 0.001 0.000 0.918 301 E HN 1.823 nan 8.360 nan 0.000 0.536 302 G N 1.928 110.713 108.800 -0.025 0.000 2.176 302 G HA2 -0.276 3.666 3.960 -0.029 0.000 0.232 302 G HA3 -0.276 3.666 3.960 -0.029 0.000 0.232 302 G C 0.205 175.098 174.900 -0.011 0.000 0.986 302 G CA -0.005 45.080 45.100 -0.025 0.000 0.643 302 G HN 0.667 nan 8.290 nan 0.000 0.522 303 c N 1.185 119.788 118.600 0.005 0.000 2.399 303 c HA 0.808 5.361 4.570 -0.029 0.000 0.348 303 c C 0.381 174.465 174.090 -0.010 0.000 1.183 303 c CA 0.059 56.409 56.329 0.035 0.000 2.023 303 c CB 1.196 43.773 42.510 0.112 0.000 2.361 303 c HN 0.725 nan 8.230 nan 0.000 0.521 304 D N -0.259 120.151 120.400 0.017 0.000 2.687 304 D HA 0.393 5.016 4.640 -0.029 0.000 0.264 304 D C 0.608 176.911 176.300 0.005 0.000 1.091 304 D CA -0.852 53.115 54.000 -0.055 0.000 1.123 304 D CB 0.386 41.144 40.800 -0.071 0.000 1.407 304 D HN 0.260 nan 8.370 nan 0.000 0.591 305 L N -0.837 120.307 121.223 -0.133 0.000 2.187 305 L HA -0.116 4.206 4.340 -0.029 0.000 0.213 305 L C 1.390 178.414 176.870 0.255 0.000 1.100 305 L CA 1.481 56.245 54.840 -0.127 0.000 0.765 305 L CB -0.265 41.520 42.059 -0.458 0.000 0.904 305 L HN 0.479 nan 8.230 nan 0.000 0.437 306 E N -1.332 118.964 120.200 0.160 0.000 2.501 306 E HA 0.097 4.429 4.350 -0.029 0.000 0.200 306 E C 0.006 176.667 176.600 0.102 0.000 1.016 306 E CA -0.108 56.420 56.400 0.213 0.000 0.921 306 E CB 0.669 30.405 29.700 0.061 0.000 1.034 306 E HN 0.120 nan 8.360 nan 0.000 0.468 307 Q N 0.492 120.361 119.800 0.114 0.000 2.507 307 Q HA 0.142 4.465 4.340 -0.029 0.000 0.248 307 Q C -2.175 173.832 176.000 0.013 0.000 0.941 307 Q CA -0.358 55.286 55.803 -0.264 0.000 1.003 307 Q CB 1.551 30.183 28.738 -0.175 0.000 1.517 307 Q HN 0.178 nan 8.270 nan 0.000 0.443 308 c N 3.844 122.394 118.600 -0.083 0.000 3.354 308 c HA 0.658 5.211 4.570 -0.029 0.000 0.314 308 c C 1.221 175.362 174.090 0.085 0.000 1.019 308 c CA 0.540 56.958 56.329 0.149 0.000 1.293 308 c CB -0.334 42.410 42.510 0.390 0.000 1.747 308 c HN 0.882 nan 8.230 nan 0.000 0.580 309 A N 1.595 124.413 122.820 -0.003 0.000 1.972 309 A HA -0.203 4.100 4.320 -0.029 0.000 0.219 309 A C 2.022 179.636 177.584 0.051 0.000 1.169 309 A CA 2.175 54.213 52.037 0.003 0.000 0.635 309 A CB -0.356 18.629 19.000 -0.025 0.000 0.810 309 A HN 0.876 nan 8.150 nan 0.000 0.446 310 Q N 0.046 119.886 119.800 0.066 0.000 2.084 310 Q HA -0.053 4.269 4.340 -0.029 0.000 0.202 310 Q C 1.999 178.063 176.000 0.107 0.000 0.978 310 Q CA 2.229 58.079 55.803 0.078 0.000 0.844 310 Q CB -0.579 28.206 28.738 0.078 0.000 0.898 310 Q HN 0.545 nan 8.270 nan 0.000 0.426 311 A N 0.158 123.066 122.820 0.147 0.000 1.898 311 A HA -0.112 4.191 4.320 -0.029 0.000 0.216 311 A C 2.137 179.803 177.584 0.138 0.000 1.181 311 A CA 1.452 53.593 52.037 0.173 0.000 0.620 311 A CB -0.708 18.437 19.000 0.242 0.000 0.819 311 A HN 0.480 nan 8.150 nan 0.000 0.442 312 I N 0.183 120.832 120.570 0.131 0.000 2.179 312 I HA -0.259 3.894 4.170 -0.029 0.000 0.242 312 I C 1.777 177.941 176.117 0.077 0.000 1.088 312 I CA 1.308 62.671 61.300 0.104 0.000 1.357 312 I CB -0.491 37.568 38.000 0.097 0.000 1.051 312 I HN 0.270 nan 8.210 nan 0.000 0.409 313 N N 1.039 119.779 118.700 0.066 0.000 2.453 313 N HA -0.084 4.639 4.740 -0.029 0.000 0.183 313 N C 1.610 177.153 175.510 0.056 0.000 1.041 313 N CA 1.266 54.347 53.050 0.053 0.000 0.900 313 N CB -0.231 38.282 38.487 0.044 0.000 0.961 313 N HN 0.375 nan 8.380 nan 0.000 0.443 314 A N -0.754 122.106 122.820 0.067 0.000 2.081 314 A HA 0.453 4.755 4.320 -0.029 0.000 0.214 314 A C 1.538 179.146 177.584 0.041 0.000 1.158 314 A CA 1.140 53.214 52.037 0.062 0.000 0.724 314 A CB 0.143 19.191 19.000 0.079 0.000 0.826 314 A HN 0.308 nan 8.150 nan 0.000 0.463 315 G N -2.038 106.790 108.800 0.047 0.000 2.559 315 G HA2 -0.011 3.931 3.960 -0.029 0.000 0.202 315 G HA3 -0.011 3.931 3.960 -0.029 0.000 0.202 315 G C -0.011 174.921 174.900 0.053 0.000 0.992 315 G CA -0.053 45.068 45.100 0.035 0.000 0.764 315 G HN 0.490 nan 8.290 nan 0.000 0.525 316 V N 1.859 121.816 119.914 0.072 0.000 2.655 316 V HA 0.255 4.357 4.120 -0.029 0.000 0.300 316 V C 0.847 177.007 176.094 0.109 0.000 1.044 316 V CA 0.859 63.215 62.300 0.094 0.000 1.095 316 V CB 1.355 33.252 31.823 0.124 0.000 0.952 316 V HN 0.288 nan 8.190 nan 0.000 0.485 317 D N 2.137 122.621 120.400 0.139 0.000 2.422 317 D HA 0.124 4.747 4.640 -0.029 0.000 0.218 317 D C 0.292 176.632 176.300 0.066 0.000 1.047 317 D CA 0.737 54.819 54.000 0.137 0.000 0.885 317 D CB 1.471 42.407 40.800 0.227 0.000 1.035 317 D HN 0.428 nan 8.370 nan 0.000 0.502 318 V N 1.342 121.300 119.914 0.073 0.000 2.623 318 V HA 0.344 4.446 4.120 -0.029 0.000 0.304 318 V C -1.550 174.552 176.094 0.013 0.000 1.054 318 V CA -0.860 61.420 62.300 -0.032 0.000 0.882 318 V CB 2.045 33.692 31.823 -0.293 0.000 1.002 318 V HN -0.151 nan 8.190 nan 0.000 0.424 319 I N 6.940 127.472 120.570 -0.062 0.000 2.301 319 I HA 0.297 4.449 4.170 -0.029 0.000 0.292 319 I C 0.501 176.489 176.117 -0.215 0.000 1.046 319 I CA -0.163 61.026 61.300 -0.184 0.000 1.282 319 I CB 1.379 39.104 38.000 -0.459 0.000 1.409 319 I HN 0.812 nan 8.210 nan 0.000 0.484 320 M N 8.057 127.582 119.600 -0.125 0.000 2.869 320 M HA 0.129 4.591 4.480 -0.029 0.000 0.299 320 M C -0.767 175.396 176.300 -0.229 0.000 1.508 320 M CA 0.024 55.249 55.300 -0.125 0.000 1.551 320 M CB -0.204 32.382 32.600 -0.023 0.000 1.384 320 M HN 0.374 nan 8.290 nan 0.000 0.491 321 V N 6.671 126.403 119.914 -0.303 0.000 2.204 321 V HA 0.259 4.361 4.120 -0.029 0.000 0.264 321 V C -1.707 174.243 176.094 -0.239 0.000 1.106 321 V CA -1.134 60.996 62.300 -0.283 0.000 0.947 321 V CB -0.252 31.363 31.823 -0.347 0.000 1.164 321 V HN 0.634 nan 8.190 nan 0.000 0.461 322 P HA -0.181 nan 4.420 nan 0.000 0.218 322 P C 1.077 178.227 177.300 -0.250 0.000 1.148 322 P CA 1.525 64.360 63.100 -0.442 0.000 0.822 322 P CB 0.853 31.886 31.700 -1.111 0.000 0.784 323 E N -1.238 118.686 120.200 -0.459 0.000 2.288 323 E HA -0.042 4.290 4.350 -0.029 0.000 0.200 323 E C 0.866 177.101 176.600 -0.609 0.000 0.880 323 E CA 0.058 55.995 56.400 -0.772 0.000 0.971 323 E CB -0.105 28.833 29.700 -1.270 0.000 0.954 323 E HN 0.192 nan 8.360 nan 0.000 0.489 324 H N 0.499 119.366 119.070 -0.338 0.000 2.610 324 H HA 0.118 4.657 4.556 -0.028 0.000 0.302 324 H C 0.787 175.977 175.328 -0.230 0.000 1.063 324 H CA 0.292 56.171 56.048 -0.282 0.000 1.159 324 H CB -0.382 29.313 29.762 -0.112 0.000 1.427 324 H HN 0.300 nan 8.280 nan 0.000 0.553 325 F N -0.286 119.609 119.950 -0.092 0.000 2.202 325 F HA -0.160 4.347 4.527 -0.034 0.000 0.301 325 F C 1.980 177.773 175.800 -0.012 0.000 1.082 325 F CA 1.074 58.994 58.000 -0.133 0.000 1.313 325 F CB -0.221 38.528 39.000 -0.419 0.000 1.024 325 F HN 0.180 nan 8.300 nan 0.000 0.495 326 E N 0.917 120.903 120.200 -0.358 0.000 2.028 326 E HA -0.079 4.253 4.350 -0.029 0.000 0.190 326 E C 2.420 179.111 176.600 0.153 0.000 0.984 326 E CA 0.934 57.272 56.400 -0.104 0.000 0.800 326 E CB -0.293 29.308 29.700 -0.165 0.000 0.758 326 E HN 0.427 nan 8.360 nan 0.000 0.448 327 A N 0.245 123.144 122.820 0.132 0.000 1.969 327 A HA -0.137 4.165 4.320 -0.029 0.000 0.218 327 A C 1.939 179.615 177.584 0.154 0.000 1.169 327 A CA 0.807 52.956 52.037 0.187 0.000 0.635 327 A CB -0.731 18.345 19.000 0.127 0.000 0.810 327 A HN 0.440 nan 8.150 nan 0.000 0.445 328 F N -0.782 119.195 119.950 0.044 0.000 2.095 328 F HA -0.224 4.284 4.527 -0.031 0.000 0.298 328 F C 2.170 177.985 175.800 0.025 0.000 1.104 328 F CA 2.179 60.184 58.000 0.008 0.000 1.232 328 F CB -0.476 38.497 39.000 -0.045 0.000 0.987 328 F HN 0.423 nan 8.300 nan 0.000 0.475 329 Y N 0.193 120.569 120.300 0.128 0.000 2.128 329 Y HA -0.322 4.213 4.550 -0.025 0.000 0.284 329 Y C 2.737 178.566 175.900 -0.119 0.000 1.154 329 Y CA 2.396 60.494 58.100 -0.003 0.000 1.149 329 Y CB -0.908 37.506 38.460 -0.076 0.000 0.976 329 Y HN 0.130 nan 8.280 nan 0.000 0.505 330 H N -0.164 118.895 119.070 -0.019 0.000 2.389 330 H HA -0.096 4.440 4.556 -0.033 0.000 0.299 330 H C 1.884 177.106 175.328 -0.176 0.000 1.081 330 H CA 1.645 57.625 56.048 -0.114 0.000 1.345 330 H CB -0.491 29.306 29.762 0.059 0.000 1.393 330 H HN 0.565 nan 8.280 nan 0.000 0.520 331 N N -0.173 118.481 118.700 -0.076 0.000 2.120 331 N HA -0.115 4.608 4.740 -0.029 0.000 0.188 331 N C 1.684 177.044 175.510 -0.251 0.000 1.024 331 N CA 1.628 54.576 53.050 -0.171 0.000 0.852 331 N CB 0.081 38.429 38.487 -0.233 0.000 1.003 331 N HN 0.193 nan 8.380 nan 0.000 0.424 332 T N 0.329 114.670 114.554 -0.355 0.000 2.788 332 T HA -0.076 4.257 4.350 -0.029 0.000 0.268 332 T C 2.113 176.681 174.700 -0.220 0.000 1.044 332 T CA 0.711 62.626 62.100 -0.309 0.000 1.139 332 T CB -0.289 68.411 68.868 -0.279 0.000 0.867 332 T HN 0.003 nan 8.240 nan 0.000 0.454 333 V N 1.601 121.349 119.914 -0.276 0.000 2.343 333 V HA -0.183 3.919 4.120 -0.029 0.000 0.247 333 V C 2.479 178.497 176.094 -0.128 0.000 1.051 333 V CA 1.559 63.723 62.300 -0.226 0.000 1.036 333 V CB -0.481 31.148 31.823 -0.322 0.000 0.654 333 V HN 0.484 nan 8.190 nan 0.000 0.451 334 K N -0.390 119.943 120.400 -0.111 0.000 2.097 334 K HA -0.214 4.089 4.320 -0.029 0.000 0.206 334 K C 2.274 178.831 176.600 -0.072 0.000 1.049 334 K CA 1.528 57.773 56.287 -0.071 0.000 0.933 334 K CB -0.203 32.262 32.500 -0.057 0.000 0.717 334 K HN 0.544 nan 8.250 nan 0.000 0.442 335 Q N 0.379 120.123 119.800 -0.095 0.000 2.079 335 Q HA -0.115 4.207 4.340 -0.029 0.000 0.200 335 Q C 2.201 178.167 176.000 -0.058 0.000 0.974 335 Q CA 1.222 56.978 55.803 -0.079 0.000 0.840 335 Q CB -0.046 28.632 28.738 -0.101 0.000 0.898 335 Q HN 0.085 nan 8.270 nan 0.000 0.430 336 V N 1.430 121.307 119.914 -0.062 0.000 2.332 336 V HA -0.296 3.807 4.120 -0.029 0.000 0.248 336 V C 1.982 178.058 176.094 -0.030 0.000 1.055 336 V CA 1.927 64.203 62.300 -0.040 0.000 1.038 336 V CB -0.420 31.378 31.823 -0.041 0.000 0.651 336 V HN 0.304 nan 8.190 nan 0.000 0.450 337 K N 0.146 120.525 120.400 -0.035 0.000 2.155 337 K HA 0.018 4.320 4.320 -0.029 0.000 0.203 337 K C 2.185 178.773 176.600 -0.021 0.000 1.052 337 K CA 1.218 57.490 56.287 -0.024 0.000 0.948 337 K CB -0.313 32.172 32.500 -0.024 0.000 0.728 337 K HN 0.470 nan 8.250 nan 0.000 0.448 338 A N 0.414 123.219 122.820 -0.026 0.000 2.119 338 A HA 0.077 4.379 4.320 -0.029 0.000 0.217 338 A C 1.624 179.197 177.584 -0.018 0.000 1.153 338 A CA 1.290 53.314 52.037 -0.022 0.000 0.692 338 A CB -0.417 18.566 19.000 -0.028 0.000 0.799 338 A HN 0.437 nan 8.150 nan 0.000 0.458 339 G N -2.314 106.476 108.800 -0.017 0.000 2.175 339 G HA2 -0.278 3.664 3.960 -0.029 0.000 0.244 339 G HA3 -0.278 3.664 3.960 -0.029 0.000 0.244 339 G C 0.963 175.857 174.900 -0.011 0.000 0.982 339 G CA 0.532 45.625 45.100 -0.011 0.000 0.641 339 G HN 0.660 nan 8.290 nan 0.000 0.527 340 V N 0.410 120.313 119.914 -0.019 0.000 2.407 340 V HA 0.111 4.214 4.120 -0.029 0.000 0.248 340 V C 1.567 177.653 176.094 -0.014 0.000 1.055 340 V CA 1.966 64.255 62.300 -0.019 0.000 1.049 340 V CB -0.233 31.572 31.823 -0.030 0.000 0.662 340 V HN 0.508 nan 8.190 nan 0.000 0.455 341 I N 0.211 120.771 120.570 -0.017 0.000 2.404 341 I HA 0.567 4.720 4.170 -0.029 0.000 0.293 341 I C 0.289 176.405 176.117 -0.002 0.000 0.992 341 I CA -0.616 60.680 61.300 -0.007 0.000 1.149 341 I CB 1.490 39.484 38.000 -0.011 0.000 1.315 341 I HN 0.070 nan 8.210 nan 0.000 0.446 342 A N 4.686 127.510 122.820 0.007 0.000 2.477 342 A HA 0.082 4.384 4.320 -0.029 0.000 0.246 342 A C 1.201 178.792 177.584 0.011 0.000 1.078 342 A CA -0.099 51.943 52.037 0.009 0.000 0.770 342 A CB 0.245 19.253 19.000 0.013 0.000 1.011 342 A HN 0.932 nan 8.150 nan 0.000 0.494 343 E N 1.590 121.795 120.200 0.009 0.000 2.268 343 E HA -0.153 4.179 4.350 -0.029 0.000 0.195 343 E C 1.738 178.349 176.600 0.019 0.000 0.995 343 E CA 1.359 57.766 56.400 0.012 0.000 0.836 343 E CB 0.015 29.720 29.700 0.009 0.000 0.763 343 E HN 0.875 nan 8.360 nan 0.000 0.491 344 S N 0.238 115.949 115.700 0.018 0.000 2.428 344 S HA -0.124 4.329 4.470 -0.029 0.000 0.230 344 S C 1.891 176.507 174.600 0.026 0.000 1.014 344 S CA 0.724 58.936 58.200 0.021 0.000 0.957 344 S CB -0.146 63.064 63.200 0.017 0.000 0.784 344 S HN 0.108 nan 8.310 nan 0.000 0.499 345 R N 1.948 122.465 120.500 0.027 0.000 2.073 345 R HA 0.052 4.375 4.340 -0.029 0.000 0.234 345 R C 2.049 178.375 176.300 0.043 0.000 1.134 345 R CA 1.636 57.756 56.100 0.034 0.000 0.952 345 R CB -0.890 29.430 30.300 0.033 0.000 0.850 345 R HN 0.387 nan 8.270 nan 0.000 0.433 346 I N 1.337 121.931 120.570 0.040 0.000 2.163 346 I HA -0.267 3.886 4.170 -0.029 0.000 0.243 346 I C 1.497 177.647 176.117 0.055 0.000 1.085 346 I CA 1.464 62.793 61.300 0.048 0.000 1.347 346 I CB -1.441 36.582 38.000 0.038 0.000 1.044 346 I HN 0.233 nan 8.210 nan 0.000 0.408 347 N N 1.023 119.750 118.700 0.045 0.000 2.120 347 N HA -0.214 4.508 4.740 -0.029 0.000 0.188 347 N C 1.640 177.178 175.510 0.048 0.000 1.024 347 N CA 1.602 54.679 53.050 0.044 0.000 0.852 347 N CB -0.535 37.971 38.487 0.032 0.000 1.003 347 N HN 0.421 nan 8.380 nan 0.000 0.424 348 D N 0.183 120.609 120.400 0.044 0.000 2.144 348 D HA 0.009 4.632 4.640 -0.029 0.000 0.200 348 D C 1.737 178.075 176.300 0.064 0.000 0.978 348 D CA 1.201 55.228 54.000 0.044 0.000 0.833 348 D CB -0.092 40.730 40.800 0.037 0.000 0.961 348 D HN 0.237 nan 8.370 nan 0.000 0.470 349 A N -0.217 122.648 122.820 0.075 0.000 1.877 349 A HA -0.099 4.203 4.320 -0.029 0.000 0.216 349 A C 2.456 180.112 177.584 0.121 0.000 1.186 349 A CA 1.541 53.638 52.037 0.101 0.000 0.620 349 A CB -0.772 18.283 19.000 0.092 0.000 0.822 349 A HN 0.213 nan 8.150 nan 0.000 0.443 350 V N -0.100 119.879 119.914 0.107 0.000 2.548 350 V HA -0.195 3.908 4.120 -0.029 0.000 0.249 350 V C 2.585 178.737 176.094 0.096 0.000 1.055 350 V CA 1.839 64.215 62.300 0.126 0.000 1.065 350 V CB -0.803 31.085 31.823 0.108 0.000 0.681 350 V HN 0.488 nan 8.190 nan 0.000 0.462 351 R N 0.069 120.611 120.500 0.070 0.000 2.070 351 R HA -0.138 4.185 4.340 -0.029 0.000 0.233 351 R C 2.561 178.890 176.300 0.048 0.000 1.137 351 R CA 1.666 57.794 56.100 0.047 0.000 0.945 351 R CB -0.348 29.973 30.300 0.034 0.000 0.845 351 R HN 0.460 nan 8.270 nan 0.000 0.430 352 R N -0.547 120.000 120.500 0.079 0.000 2.096 352 R HA -0.132 4.190 4.340 -0.029 0.000 0.235 352 R C 2.134 178.537 176.300 0.173 0.000 1.127 352 R CA 1.374 57.539 56.100 0.109 0.000 0.968 352 R CB -0.336 30.044 30.300 0.133 0.000 0.861 352 R HN 0.173 nan 8.270 nan 0.000 0.440 353 F N 1.222 121.098 119.950 -0.124 0.000 2.149 353 F HA -0.005 4.503 4.527 -0.032 0.000 0.294 353 F C 1.809 177.408 175.800 -0.335 0.000 1.095 353 F CA 1.092 58.760 58.000 -0.553 0.000 1.276 353 F CB -0.263 38.339 39.000 -0.664 0.000 1.023 353 F HN -0.127 nan 8.300 nan 0.000 0.480 354 L N -0.048 121.008 121.223 -0.278 0.000 2.131 354 L HA -0.185 4.137 4.340 -0.029 0.000 0.210 354 L C 2.674 179.460 176.870 -0.140 0.000 1.092 354 L CA 1.232 55.918 54.840 -0.258 0.000 0.759 354 L CB -0.597 41.423 42.059 -0.065 0.000 0.903 354 L HN 0.114 nan 8.230 nan 0.000 0.435 355 R N 0.220 120.684 120.500 -0.061 0.000 2.096 355 R HA -0.228 4.094 4.340 -0.029 0.000 0.240 355 R C 2.293 178.610 176.300 0.028 0.000 1.139 355 R CA 1.754 57.859 56.100 0.008 0.000 0.952 355 R CB -0.217 30.102 30.300 0.032 0.000 0.854 355 R HN 0.362 nan 8.270 nan 0.000 0.436 356 A N 1.079 123.898 122.820 -0.002 0.000 1.841 356 A HA -0.137 4.165 4.320 -0.029 0.000 0.214 356 A C 1.964 179.520 177.584 -0.047 0.000 1.195 356 A CA 1.494 53.554 52.037 0.038 0.000 0.611 356 A CB -0.461 18.638 19.000 0.166 0.000 0.835 356 A HN 0.292 nan 8.150 nan 0.000 0.443 357 K N -0.408 119.805 120.400 -0.311 0.000 2.015 357 K HA -0.198 4.104 4.320 -0.029 0.000 0.216 357 K C 1.943 178.561 176.600 0.030 0.000 1.052 357 K CA 1.984 58.115 56.287 -0.260 0.000 0.937 357 K CB -0.579 31.593 32.500 -0.547 0.000 0.719 357 K HN 0.561 nan 8.250 nan 0.000 0.446 358 I N 0.288 120.871 120.570 0.022 0.000 2.163 358 I HA -0.259 3.893 4.170 -0.029 0.000 0.240 358 I C 2.749 178.967 176.117 0.167 0.000 1.081 358 I CA 1.048 62.444 61.300 0.160 0.000 1.353 358 I CB -0.296 37.816 38.000 0.188 0.000 1.054 358 I HN 0.188 nan 8.210 nan 0.000 0.407 359 R N 0.229 120.814 120.500 0.141 0.000 2.127 359 R HA -0.259 4.063 4.340 -0.029 0.000 0.238 359 R C 2.221 178.617 176.300 0.160 0.000 1.134 359 R CA 1.788 57.979 56.100 0.152 0.000 0.975 359 R CB -0.405 30.006 30.300 0.185 0.000 0.865 359 R HN 0.500 nan 8.270 nan 0.000 0.447 360 W N -0.423 120.874 121.300 -0.005 0.000 2.425 360 W HA 0.003 4.645 4.660 -0.031 0.000 0.277 360 W C 0.902 177.423 176.519 0.002 0.000 1.231 360 W CA 1.735 59.063 57.345 -0.028 0.000 1.248 360 W CB 0.260 29.688 29.460 -0.054 0.000 1.117 360 W HN 0.305 nan 8.180 nan 0.000 0.568 361 G N -0.900 107.956 108.800 0.094 0.000 2.164 361 G HA2 -0.287 3.655 3.960 -0.029 0.000 0.154 361 G HA3 -0.287 3.655 3.960 -0.029 0.000 0.154 361 G C 0.690 175.658 174.900 0.114 0.000 1.014 361 G CA -0.104 44.964 45.100 -0.053 0.000 0.683 361 G HN 0.238 nan 8.290 nan 0.000 0.500 362 V N -0.120 119.995 119.914 0.335 0.000 2.311 362 V HA -0.293 3.810 4.120 -0.029 0.000 0.259 362 V C 2.341 178.424 176.094 -0.018 0.000 1.086 362 V CA 3.152 65.568 62.300 0.194 0.000 1.078 362 V CB -0.441 31.383 31.823 0.001 0.000 0.668 362 V HN 0.484 nan 8.190 nan 0.000 0.452 363 F N -0.283 119.749 119.950 0.138 0.000 2.743 363 F HA 0.017 4.525 4.527 -0.031 0.000 0.297 363 F C 2.313 178.160 175.800 0.077 0.000 1.131 363 F CA 1.171 59.230 58.000 0.099 0.000 1.426 363 F CB -0.458 38.576 39.000 0.056 0.000 1.116 363 F HN 0.350 nan 8.300 nan 0.000 0.583 364 T N -2.971 111.704 114.554 0.202 0.000 3.021 364 T HA 0.096 4.429 4.350 -0.029 0.000 0.245 364 T C 0.974 175.711 174.700 0.063 0.000 1.028 364 T CA -0.031 62.132 62.100 0.106 0.000 1.139 364 T CB -0.203 68.690 68.868 0.042 0.000 0.884 364 T HN -0.102 nan 8.240 nan 0.000 0.457 365 K N 2.749 123.167 120.400 0.029 0.000 2.355 365 K HA 0.363 4.666 4.320 -0.029 0.000 0.270 365 K C 0.654 177.293 176.600 0.065 0.000 1.003 365 K CA -0.224 56.068 56.287 0.009 0.000 0.957 365 K CB 0.831 33.304 32.500 -0.045 0.000 0.939 365 K HN 0.512 nan 8.250 nan 0.000 0.482 366 S N 1.547 117.261 115.700 0.023 0.000 2.598 366 S HA 0.101 4.554 4.470 -0.029 0.000 0.267 366 S C -0.019 174.463 174.600 -0.198 0.000 1.189 366 S CA -0.853 57.351 58.200 0.006 0.000 1.010 366 S CB 0.224 63.429 63.200 0.008 0.000 1.084 366 S HN 0.630 nan 8.310 nan 0.000 0.541 367 K N 0.440 120.649 120.400 -0.318 0.000 2.518 367 K HA 0.076 4.379 4.320 -0.029 0.000 0.276 367 K C -2.299 174.071 176.600 -0.383 0.000 0.974 367 K CA -0.779 55.072 56.287 -0.725 0.000 0.986 367 K CB -0.508 31.829 32.500 -0.272 0.000 0.901 367 K HN 0.135 nan 8.250 nan 0.000 0.497 368 P HA -0.273 nan 4.420 nan 0.000 0.216 368 P C 1.423 178.743 177.300 0.033 0.000 1.154 368 P CA 2.183 65.259 63.100 -0.040 0.000 0.865 368 P CB -0.002 31.757 31.700 0.098 0.000 0.789 369 S N -1.354 114.363 115.700 0.029 0.000 2.474 369 S HA 0.007 4.460 4.470 -0.029 0.000 0.235 369 S C 1.840 176.452 174.600 0.019 0.000 0.997 369 S CA 0.945 59.176 58.200 0.052 0.000 0.949 369 S CB -0.980 62.259 63.200 0.064 0.000 0.766 369 S HN 0.123 nan 8.310 nan 0.000 0.517 370 A N 1.215 124.032 122.820 -0.005 0.000 2.267 370 A HA 0.333 4.635 4.320 -0.029 0.000 0.213 370 A C 1.036 178.617 177.584 -0.005 0.000 1.192 370 A CA -0.558 51.473 52.037 -0.009 0.000 0.851 370 A CB -0.081 18.910 19.000 -0.015 0.000 0.881 370 A HN 0.516 nan 8.150 nan 0.000 0.494 371 R N 0.300 120.805 120.500 0.009 0.000 2.594 371 R HA 0.218 4.541 4.340 -0.029 0.000 0.272 371 R C -1.892 174.428 176.300 0.033 0.000 1.074 371 R CA -1.559 54.558 56.100 0.029 0.000 1.105 371 R CB -0.012 30.332 30.300 0.074 0.000 1.008 371 R HN 0.016 nan 8.270 nan 0.000 0.472 372 P HA -0.237 nan 4.420 nan 0.000 0.215 372 P C 0.793 178.170 177.300 0.129 0.000 1.153 372 P CA 1.296 64.433 63.100 0.061 0.000 0.853 372 P CB 0.064 31.811 31.700 0.078 0.000 0.788 373 E N -0.582 119.733 120.200 0.191 0.000 2.515 373 E HA -0.046 4.286 4.350 -0.029 0.000 0.201 373 E C 0.771 177.506 176.600 0.226 0.000 1.071 373 E CA 0.907 57.507 56.400 0.333 0.000 0.880 373 E CB -0.791 29.133 29.700 0.373 0.000 0.828 373 E HN 0.178 nan 8.360 nan 0.000 0.540 374 S N 0.725 116.481 115.700 0.093 0.000 2.540 374 S HA 0.078 4.530 4.470 -0.029 0.000 0.218 374 S C 0.792 175.333 174.600 -0.099 0.000 0.977 374 S CA -0.238 57.985 58.200 0.038 0.000 0.918 374 S CB 0.400 63.638 63.200 0.064 0.000 0.806 374 S HN 0.160 nan 8.310 nan 0.000 0.496 375 Q N 1.279 120.922 119.800 -0.262 0.000 2.211 375 Q HA 0.211 4.533 4.340 -0.029 0.000 0.231 375 Q C -0.583 174.911 176.000 -0.842 0.000 0.865 375 Q CA 0.173 55.695 55.803 -0.468 0.000 0.997 375 Q CB -0.048 28.409 28.738 -0.468 0.000 1.101 375 Q HN 0.579 nan 8.270 nan 0.000 0.468 376 H N 0.401 119.155 119.070 -0.527 0.000 2.429 376 H HA 0.165 4.703 4.556 -0.029 0.000 0.231 376 H C -1.816 173.238 175.328 -0.457 0.000 1.416 376 H CA -1.435 54.160 56.048 -0.754 0.000 1.443 376 H CB 1.298 29.932 29.762 -1.879 0.000 1.591 376 H HN -0.012 nan 8.280 nan 0.000 0.507 377 P HA -0.167 nan 4.420 nan 0.000 0.220 377 P C 1.025 178.338 177.300 0.022 0.000 1.148 377 P CA 1.036 64.120 63.100 -0.026 0.000 0.803 377 P CB 0.523 32.214 31.700 -0.016 0.000 0.782 378 Q N -1.302 118.493 119.800 -0.008 0.000 2.234 378 Q HA -0.161 4.162 4.340 -0.029 0.000 0.206 378 Q C 1.915 178.013 176.000 0.162 0.000 0.980 378 Q CA 1.244 57.074 55.803 0.045 0.000 0.869 378 Q CB -1.236 27.517 28.738 0.025 0.000 0.912 378 Q HN 0.292 nan 8.270 nan 0.000 0.436 379 W N 0.511 121.839 121.300 0.046 0.000 2.331 379 W HA -0.063 4.579 4.660 -0.030 0.000 0.291 379 W C 0.560 177.145 176.519 0.109 0.000 1.214 379 W CA 0.199 57.586 57.345 0.069 0.000 1.228 379 W CB -0.581 28.952 29.460 0.123 0.000 1.135 379 W HN 0.161 nan 8.180 nan 0.000 0.537 380 L N 1.361 122.752 121.223 0.281 0.000 2.342 380 L HA 0.283 4.605 4.340 -0.029 0.000 0.285 380 L C 1.241 178.159 176.870 0.081 0.000 1.095 380 L CA 1.191 56.118 54.840 0.146 0.000 0.843 380 L CB -0.236 41.853 42.059 0.050 0.000 1.201 380 L HN 0.407 nan 8.230 nan 0.000 0.445 381 G N 3.978 112.824 108.800 0.076 0.000 2.176 381 G HA2 -0.267 3.675 3.960 -0.029 0.000 0.252 381 G HA3 -0.267 3.675 3.960 -0.029 0.000 0.252 381 G C 0.600 175.497 174.900 -0.003 0.000 1.024 381 G CA 0.243 45.347 45.100 0.006 0.000 0.755 381 G HN 1.175 nan 8.290 nan 0.000 0.507 382 A N -0.225 122.596 122.820 0.002 0.000 2.567 382 A HA 0.645 4.947 4.320 -0.029 0.000 0.240 382 A C 1.908 179.387 177.584 -0.174 0.000 1.053 382 A CA 1.096 53.033 52.037 -0.167 0.000 0.755 382 A CB 0.085 18.769 19.000 -0.526 0.000 0.978 382 A HN 1.957 nan 8.150 nan 0.000 0.507 383 A N 1.839 124.590 122.820 -0.114 0.000 1.927 383 A HA -0.240 4.062 4.320 -0.029 0.000 0.220 383 A C 1.938 179.469 177.584 -0.088 0.000 1.185 383 A CA 2.102 54.089 52.037 -0.083 0.000 0.639 383 A CB -0.611 18.355 19.000 -0.056 0.000 0.820 383 A HN 0.999 nan 8.150 nan 0.000 0.451 384 E N -1.340 118.782 120.200 -0.130 0.000 2.153 384 E HA -0.262 4.071 4.350 -0.029 0.000 0.194 384 E C 1.773 178.375 176.600 0.004 0.000 0.988 384 E CA 1.280 57.627 56.400 -0.088 0.000 0.811 384 E CB -0.139 29.490 29.700 -0.118 0.000 0.746 384 E HN 0.778 nan 8.360 nan 0.000 0.466 385 H N 0.142 119.208 119.070 -0.006 0.000 2.403 385 H HA 0.058 4.596 4.556 -0.030 0.000 0.298 385 H C 2.086 177.354 175.328 -0.099 0.000 1.059 385 H CA 0.973 57.026 56.048 0.008 0.000 1.363 385 H CB -0.150 29.618 29.762 0.010 0.000 1.410 385 H HN 0.160 nan 8.280 nan 0.000 0.528 386 R N -0.014 120.469 120.500 -0.027 0.000 2.120 386 R HA -0.070 4.253 4.340 -0.029 0.000 0.234 386 R C 2.076 178.331 176.300 -0.076 0.000 1.123 386 R CA 1.472 57.504 56.100 -0.113 0.000 0.975 386 R CB -0.287 29.948 30.300 -0.109 0.000 0.866 386 R HN 0.232 nan 8.270 nan 0.000 0.446 387 T N 1.869 116.404 114.554 -0.032 0.000 2.737 387 T HA -0.121 4.211 4.350 -0.029 0.000 0.265 387 T C 1.776 176.478 174.700 0.003 0.000 1.038 387 T CA 1.095 63.182 62.100 -0.022 0.000 1.144 387 T CB -0.192 68.671 68.868 -0.008 0.000 0.866 387 T HN 0.118 nan 8.240 nan 0.000 0.434 388 L N 1.440 122.702 121.223 0.065 0.000 2.046 388 L HA 0.060 4.382 4.340 -0.029 0.000 0.208 388 L C 2.572 179.536 176.870 0.158 0.000 1.077 388 L CA 1.966 56.881 54.840 0.126 0.000 0.747 388 L CB -0.902 41.288 42.059 0.219 0.000 0.896 388 L HN 0.208 nan 8.230 nan 0.000 0.432 389 A N -0.384 122.497 122.820 0.102 0.000 1.933 389 A HA -0.234 4.069 4.320 -0.029 0.000 0.218 389 A C 2.543 180.111 177.584 -0.027 0.000 1.175 389 A CA 1.709 53.749 52.037 0.006 0.000 0.628 389 A CB -0.680 18.038 19.000 -0.470 0.000 0.814 389 A HN 0.536 nan 8.150 nan 0.000 0.444 390 R N -0.250 120.205 120.500 -0.075 0.000 2.081 390 R HA -0.167 4.155 4.340 -0.029 0.000 0.235 390 R C 2.201 178.423 176.300 -0.130 0.000 1.131 390 R CA 1.704 57.736 56.100 -0.113 0.000 0.960 390 R CB -0.263 29.960 30.300 -0.129 0.000 0.856 390 R HN 0.726 nan 8.270 nan 0.000 0.436 391 E N -0.176 119.971 120.200 -0.089 0.000 2.106 391 E HA -0.174 4.158 4.350 -0.029 0.000 0.192 391 E C 1.676 178.250 176.600 -0.042 0.000 0.984 391 E CA 1.114 57.460 56.400 -0.090 0.000 0.806 391 E CB -0.071 29.610 29.700 -0.032 0.000 0.750 391 E HN 0.469 nan 8.360 nan 0.000 0.458 392 A N 0.533 123.365 122.820 0.020 0.000 2.015 392 A HA -0.093 4.210 4.320 -0.029 0.000 0.219 392 A C 2.326 179.945 177.584 0.057 0.000 1.163 392 A CA 1.123 53.198 52.037 0.064 0.000 0.646 392 A CB -0.382 18.713 19.000 0.158 0.000 0.806 392 A HN 0.215 nan 8.150 nan 0.000 0.448 393 V N 0.004 119.926 119.914 0.013 0.000 2.270 393 V HA -0.242 3.860 4.120 -0.029 0.000 0.245 393 V C 2.595 178.674 176.094 -0.026 0.000 1.043 393 V CA 2.149 64.452 62.300 0.004 0.000 1.014 393 V CB -0.780 31.015 31.823 -0.048 0.000 0.645 393 V HN 0.535 nan 8.190 nan 0.000 0.447 394 R N 0.187 120.617 120.500 -0.118 0.000 2.096 394 R HA -0.134 4.188 4.340 -0.029 0.000 0.235 394 R C 2.287 178.533 176.300 -0.091 0.000 1.127 394 R CA 1.259 57.246 56.100 -0.189 0.000 0.968 394 R CB -0.298 29.787 30.300 -0.359 0.000 0.861 394 R HN 0.487 nan 8.270 nan 0.000 0.440 395 K N 0.255 120.641 120.400 -0.025 0.000 2.366 395 K HA -0.027 4.275 4.320 -0.029 0.000 0.198 395 K C 2.117 178.781 176.600 0.107 0.000 1.044 395 K CA 1.300 57.608 56.287 0.034 0.000 0.973 395 K CB 0.183 32.703 32.500 0.034 0.000 0.767 395 K HN 0.177 nan 8.250 nan 0.000 0.475 396 S N 0.750 116.536 115.700 0.143 0.000 2.446 396 S HA 0.040 4.493 4.470 -0.029 0.000 0.225 396 S C 0.910 175.773 174.600 0.440 0.000 1.016 396 S CA -0.183 58.175 58.200 0.263 0.000 0.943 396 S CB -0.379 62.985 63.200 0.273 0.000 0.786 396 S HN 0.091 nan 8.310 nan 0.000 0.508 397 L N 3.027 124.438 121.223 0.314 0.000 2.584 397 L HA 0.223 4.546 4.340 -0.029 0.000 0.272 397 L C -0.664 176.478 176.870 0.454 0.000 1.195 397 L CA -0.421 54.626 54.840 0.346 0.000 0.920 397 L CB 0.254 42.460 42.059 0.245 0.000 1.173 397 L HN 0.091 nan 8.230 nan 0.000 0.489 398 V N 5.236 125.343 119.914 0.323 0.000 2.370 398 V HA 0.199 4.301 4.120 -0.029 0.000 0.283 398 V C 0.073 176.053 176.094 -0.190 0.000 1.023 398 V CA -0.582 61.818 62.300 0.167 0.000 0.857 398 V CB 1.793 33.815 31.823 0.332 0.000 0.985 398 V HN 0.433 nan 8.190 nan 0.000 0.443 399 L N 6.090 126.991 121.223 -0.537 0.000 2.363 399 L HA 0.327 4.649 4.340 -0.029 0.000 0.286 399 L C 0.853 177.425 176.870 -0.496 0.000 1.106 399 L CA 0.659 54.999 54.840 -0.833 0.000 0.859 399 L CB 0.289 41.500 42.059 -1.414 0.000 1.223 399 L HN 0.600 nan 8.230 nan 0.000 0.446 400 L N 3.115 124.088 121.223 -0.416 0.000 2.131 400 L HA 0.098 4.421 4.340 -0.029 0.000 0.206 400 L C 0.877 177.520 176.870 -0.379 0.000 1.087 400 L CA 0.717 55.230 54.840 -0.544 0.000 0.767 400 L CB -0.243 41.376 42.059 -0.733 0.000 0.917 400 L HN 0.553 nan 8.230 nan 0.000 0.441 401 K N 0.038 120.301 120.400 -0.229 0.000 2.535 401 K HA 0.249 4.552 4.320 -0.029 0.000 0.251 401 K C -1.216 175.327 176.600 -0.096 0.000 0.942 401 K CA -0.418 55.800 56.287 -0.115 0.000 0.798 401 K CB 1.652 34.118 32.500 -0.056 0.000 1.267 401 K HN -0.228 nan 8.250 nan 0.000 0.434 402 N N 2.976 121.639 118.700 -0.063 0.000 2.651 402 N HA 0.169 4.891 4.740 -0.029 0.000 0.277 402 N C -1.624 173.880 175.510 -0.009 0.000 1.787 402 N CA -0.452 52.582 53.050 -0.027 0.000 0.818 402 N CB 0.256 38.742 38.487 -0.002 0.000 1.316 402 N HN 0.542 nan 8.380 nan 0.000 0.503 403 N N 1.622 120.315 118.700 -0.011 0.000 2.359 403 N HA -0.001 4.721 4.740 -0.029 0.000 0.261 403 N C 0.064 175.569 175.510 -0.009 0.000 1.267 403 N CA 0.874 53.919 53.050 -0.008 0.000 0.864 403 N CB 0.321 38.802 38.487 -0.009 0.000 1.063 403 N HN 0.244 nan 8.380 nan 0.000 0.474 404 E N 0.430 120.625 120.200 -0.008 0.000 3.070 404 E HA -0.250 4.083 4.350 -0.029 0.000 0.285 404 E C -0.858 175.732 176.600 -0.017 0.000 0.972 404 E CA 0.791 57.184 56.400 -0.012 0.000 0.915 404 E CB -1.625 28.067 29.700 -0.014 0.000 1.466 404 E HN 0.707 nan 8.360 nan 0.000 0.432 405 S N -1.017 114.676 115.700 -0.013 0.000 3.549 405 S HA -0.257 4.196 4.470 -0.029 0.000 0.366 405 S C 1.059 175.627 174.600 -0.052 0.000 1.012 405 S CA 0.886 59.071 58.200 -0.025 0.000 1.141 405 S CB -1.498 61.682 63.200 -0.034 0.000 0.910 405 S HN 0.597 nan 8.310 nan 0.000 0.471 406 I N -0.246 120.304 120.570 -0.033 0.000 2.361 406 I HA -0.037 4.115 4.170 -0.029 0.000 0.251 406 I C 0.684 176.767 176.117 -0.057 0.000 1.133 406 I CA 1.370 62.647 61.300 -0.039 0.000 1.413 406 I CB 0.138 38.126 38.000 -0.022 0.000 1.073 406 I HN 0.400 nan 8.210 nan 0.000 0.424 407 L N 2.792 123.987 121.223 -0.046 0.000 2.334 407 L HA 0.382 4.704 4.340 -0.029 0.000 0.277 407 L C -2.209 174.377 176.870 -0.474 0.000 1.075 407 L CA -1.927 52.859 54.840 -0.090 0.000 0.804 407 L CB 0.908 43.085 42.059 0.196 0.000 1.174 407 L HN -0.035 nan 8.230 nan 0.000 0.438 408 P HA 0.297 nan 4.420 nan 0.000 0.278 408 P C -0.811 176.389 177.300 -0.167 0.000 1.258 408 P CA -0.423 62.477 63.100 -0.332 0.000 0.811 408 P CB 1.241 32.736 31.700 -0.342 0.000 1.063 409 I N 1.010 121.532 120.570 -0.079 0.000 2.396 409 I HA 0.216 4.368 4.170 -0.029 0.000 0.292 409 I C 1.067 177.150 176.117 -0.055 0.000 0.999 409 I CA -0.741 60.523 61.300 -0.060 0.000 1.310 409 I CB 0.618 38.597 38.000 -0.035 0.000 1.404 409 I HN 0.123 nan 8.210 nan 0.000 0.496 410 K N 4.385 124.752 120.400 -0.054 0.000 2.472 410 K HA 0.073 4.375 4.320 -0.029 0.000 0.280 410 K C 1.013 177.590 176.600 -0.038 0.000 1.028 410 K CA -0.021 56.239 56.287 -0.046 0.000 1.045 410 K CB 0.699 33.173 32.500 -0.042 0.000 0.902 410 K HN 0.786 nan 8.250 nan 0.000 0.478 411 A N 2.496 125.295 122.820 -0.035 0.000 2.131 411 A HA -0.146 4.157 4.320 -0.029 0.000 0.220 411 A C 1.824 179.388 177.584 -0.034 0.000 1.158 411 A CA 1.856 53.872 52.037 -0.035 0.000 0.665 411 A CB -0.340 18.641 19.000 -0.031 0.000 0.795 411 A HN 0.750 nan 8.150 nan 0.000 0.460 412 S N -0.688 114.994 115.700 -0.031 0.000 2.593 412 S HA 0.162 4.615 4.470 -0.029 0.000 0.217 412 S C 0.804 175.388 174.600 -0.026 0.000 0.966 412 S CA 0.250 58.433 58.200 -0.027 0.000 0.914 412 S CB -0.258 62.927 63.200 -0.025 0.000 0.776 412 S HN 0.333 nan 8.310 nan 0.000 0.523 413 S N 2.020 117.702 115.700 -0.029 0.000 2.608 413 S HA 0.256 4.708 4.470 -0.029 0.000 0.261 413 S C 0.193 174.779 174.600 -0.025 0.000 1.314 413 S CA -0.702 57.481 58.200 -0.029 0.000 0.992 413 S CB 0.415 63.595 63.200 -0.033 0.000 0.935 413 S HN 0.525 nan 8.310 nan 0.000 0.564 414 R N 1.284 121.769 120.500 -0.026 0.000 2.220 414 R HA 0.377 4.700 4.340 -0.029 0.000 0.340 414 R C -1.229 175.054 176.300 -0.029 0.000 1.076 414 R CA -0.045 56.042 56.100 -0.022 0.000 0.920 414 R CB -0.361 29.925 30.300 -0.024 0.000 1.062 414 R HN 0.547 nan 8.270 nan 0.000 0.469 415 I N 5.703 126.265 120.570 -0.013 0.000 2.406 415 I HA 0.240 4.392 4.170 -0.029 0.000 0.290 415 I C -0.718 175.413 176.117 0.023 0.000 0.999 415 I CA -1.204 60.092 61.300 -0.008 0.000 1.124 415 I CB 1.927 39.924 38.000 -0.005 0.000 1.289 415 I HN 0.481 nan 8.210 nan 0.000 0.441 416 L N 8.235 129.462 121.223 0.007 0.000 2.275 416 L HA 0.548 4.870 4.340 -0.029 0.000 0.288 416 L C -0.749 176.165 176.870 0.073 0.000 1.046 416 L CA -0.219 54.645 54.840 0.041 0.000 0.805 416 L CB 1.450 43.503 42.059 -0.009 0.000 1.193 416 L HN 0.324 nan 8.230 nan 0.000 0.426 417 V N 5.656 125.651 119.914 0.135 0.000 2.370 417 V HA 0.882 4.984 4.120 -0.029 0.000 0.283 417 V C 0.362 176.507 176.094 0.085 0.000 1.023 417 V CA 0.024 62.414 62.300 0.150 0.000 0.857 417 V CB 0.546 32.567 31.823 0.331 0.000 0.985 417 V HN 1.013 nan 8.190 nan 0.000 0.443 418 A N 3.477 126.337 122.820 0.068 0.000 2.437 418 A HA 1.064 5.366 4.320 -0.029 0.000 0.288 418 A C 0.205 177.823 177.584 0.057 0.000 1.201 418 A CA -0.365 51.705 52.037 0.055 0.000 0.795 418 A CB 1.549 20.589 19.000 0.066 0.000 1.359 418 A HN 2.222 nan 8.150 nan 0.000 0.435 419 G N -0.528 108.313 108.800 0.068 0.000 2.719 419 G HA2 -0.089 3.854 3.960 -0.029 0.000 0.686 419 G HA3 -0.089 3.854 3.960 -0.029 0.000 0.686 419 G C 0.099 175.044 174.900 0.075 0.000 1.201 419 G CA 0.119 45.274 45.100 0.092 0.000 0.768 419 G HN 0.878 nan 8.290 nan 0.000 0.629 420 K N 0.483 120.943 120.400 0.099 0.000 2.281 420 K HA -0.065 4.237 4.320 -0.029 0.000 0.203 420 K C 2.504 179.126 176.600 0.035 0.000 1.046 420 K CA 1.653 57.978 56.287 0.063 0.000 0.938 420 K CB -0.086 32.456 32.500 0.070 0.000 0.737 420 K HN 0.741 nan 8.250 nan 0.000 0.458 421 G N 0.054 108.878 108.800 0.039 0.000 2.880 421 G HA2 -0.003 3.940 3.960 -0.029 0.000 0.209 421 G HA3 -0.003 3.940 3.960 -0.029 0.000 0.209 421 G C 1.408 176.310 174.900 0.002 0.000 1.157 421 G CA 0.474 45.576 45.100 0.004 0.000 0.779 421 G HN 0.268 nan 8.290 nan 0.000 0.539 422 A N 1.363 124.195 122.820 0.020 0.000 1.873 422 A HA -0.164 4.139 4.320 -0.029 0.000 0.218 422 A C 1.840 179.464 177.584 0.066 0.000 1.193 422 A CA 2.010 54.073 52.037 0.045 0.000 0.629 422 A CB -0.256 18.760 19.000 0.027 0.000 0.826 422 A HN 0.419 nan 8.150 nan 0.000 0.447 423 N N -1.702 117.008 118.700 0.017 0.000 2.365 423 N HA 0.384 5.107 4.740 -0.029 0.000 0.257 423 N C -0.657 174.856 175.510 0.005 0.000 1.287 423 N CA 0.573 53.642 53.050 0.032 0.000 0.882 423 N CB 0.616 39.078 38.487 -0.042 0.000 1.250 423 N HN 0.343 nan 8.380 nan 0.000 0.507 424 A N 0.881 123.691 122.820 -0.016 0.000 2.394 424 A HA 0.412 4.714 4.320 -0.029 0.000 0.333 424 A C 1.076 178.604 177.584 -0.093 0.000 1.397 424 A CA -0.540 51.481 52.037 -0.027 0.000 0.884 424 A CB -0.328 18.663 19.000 -0.016 0.000 1.147 424 A HN 0.350 nan 8.150 nan 0.000 0.505 425 I N 1.504 121.987 120.570 -0.146 0.000 2.335 425 I HA -0.350 3.803 4.170 -0.029 0.000 0.251 425 I C 2.454 178.244 176.117 -0.544 0.000 1.129 425 I CA 2.010 63.071 61.300 -0.398 0.000 1.402 425 I CB -0.357 37.292 38.000 -0.584 0.000 1.069 425 I HN 0.936 nan 8.210 nan 0.000 0.424 426 N N 1.286 119.846 118.700 -0.233 0.000 2.205 426 N HA -0.226 4.496 4.740 -0.029 0.000 0.186 426 N C 1.947 177.390 175.510 -0.113 0.000 1.015 426 N CA 1.263 54.289 53.050 -0.038 0.000 0.862 426 N CB -0.230 38.373 38.487 0.193 0.000 0.986 426 N HN 0.278 nan 8.380 nan 0.000 0.429 427 M N 0.304 119.830 119.600 -0.124 0.000 2.132 427 M HA -0.161 4.301 4.480 -0.029 0.000 0.263 427 M C 2.439 178.631 176.300 -0.179 0.000 1.065 427 M CA 1.594 56.815 55.300 -0.133 0.000 1.122 427 M CB -0.355 32.190 32.600 -0.092 0.000 1.365 427 M HN 0.502 nan 8.290 nan 0.000 0.411 428 Q N -0.297 119.385 119.800 -0.197 0.000 2.378 428 Q HA -0.004 4.319 4.340 -0.029 0.000 0.205 428 Q C 1.638 177.528 176.000 -0.184 0.000 0.954 428 Q CA 1.260 56.953 55.803 -0.184 0.000 0.901 428 Q CB -0.151 28.480 28.738 -0.178 0.000 0.981 428 Q HN 0.438 nan 8.270 nan 0.000 0.483 429 A N 1.149 123.831 122.820 -0.230 0.000 1.943 429 A HA 0.454 4.756 4.320 -0.029 0.000 0.213 429 A C 1.246 178.793 177.584 -0.063 0.000 1.181 429 A CA 0.965 52.917 52.037 -0.142 0.000 0.653 429 A CB -0.488 18.380 19.000 -0.221 0.000 0.833 429 A HN 0.660 nan 8.150 nan 0.000 0.451 430 G N -1.971 106.729 108.800 -0.168 0.000 2.725 430 G HA2 0.290 4.232 3.960 -0.029 0.000 0.220 430 G HA3 0.290 4.232 3.960 -0.029 0.000 0.220 430 G C 0.497 175.255 174.900 -0.237 0.000 1.357 430 G CA -0.309 44.572 45.100 -0.366 0.000 0.866 430 G HN 1.431 nan 8.290 nan 0.000 0.548 431 G N -2.640 105.907 108.800 -0.421 0.000 2.699 431 G HA2 0.466 4.408 3.960 -0.029 0.000 0.246 431 G HA3 0.466 4.408 3.960 -0.029 0.000 0.246 431 G C 0.588 175.580 174.900 0.154 0.000 1.219 431 G CA 0.849 45.800 45.100 -0.247 0.000 0.866 431 G HN 1.906 nan 8.290 nan 0.000 0.572 432 W N -1.172 120.189 121.300 0.102 0.000 4.435 432 W HA -0.176 4.465 4.660 -0.031 0.000 0.351 432 W C 0.490 177.227 176.519 0.362 0.000 1.319 432 W CA 0.492 57.994 57.345 0.261 0.000 0.791 432 W CB -1.868 27.789 29.460 0.328 0.000 2.419 432 W HN 0.469 nan 8.180 nan 0.000 1.406 433 S N 0.083 116.022 115.700 0.399 0.000 2.718 433 S HA 0.442 4.894 4.470 -0.029 0.000 0.294 433 S C 0.849 175.584 174.600 0.226 0.000 1.157 433 S CA -0.171 58.269 58.200 0.399 0.000 1.121 433 S CB 1.848 65.323 63.200 0.459 0.000 1.015 433 S HN 0.335 nan 8.310 nan 0.000 0.479 434 V N 1.627 121.632 119.914 0.152 0.000 0.465 434 V HA -0.323 3.779 4.120 -0.029 0.000 0.092 434 V C 1.188 177.321 176.094 0.064 0.000 2.474 434 V CA 2.281 64.614 62.300 0.055 0.000 3.680 434 V CB -2.057 29.716 31.823 -0.083 0.000 0.959 434 V HN 0.881 nan 8.190 nan 0.000 1.006 435 S N -1.534 114.191 115.700 0.041 0.000 2.767 435 S HA 0.495 4.947 4.470 -0.029 0.000 0.300 435 S C -0.101 174.505 174.600 0.011 0.000 1.123 435 S CA 0.141 58.355 58.200 0.023 0.000 0.992 435 S CB 2.116 65.300 63.200 -0.027 0.000 1.138 435 S HN 0.595 nan 8.310 nan 0.000 0.550 436 W N 0.854 121.964 121.300 -0.317 0.000 2.423 436 W HA 0.089 4.732 4.660 -0.028 0.000 0.321 436 W C 2.330 178.458 176.519 -0.652 0.000 1.180 436 W CA 1.680 58.650 57.345 -0.624 0.000 1.322 436 W CB -0.820 28.243 29.460 -0.663 0.000 1.174 436 W HN 0.637 nan 8.180 nan 0.000 0.470 437 Q N -0.209 119.160 119.800 -0.719 0.000 2.049 437 Q HA 0.101 4.423 4.340 -0.029 0.000 0.198 437 Q C 2.051 177.782 176.000 -0.449 0.000 0.971 437 Q CA 2.164 57.463 55.803 -0.840 0.000 0.833 437 Q CB -0.905 27.307 28.738 -0.878 0.000 0.896 437 Q HN 0.586 nan 8.270 nan 0.000 0.434 438 G N -0.212 108.430 108.800 -0.262 0.000 2.213 438 G HA2 -0.314 3.628 3.960 -0.029 0.000 0.236 438 G HA3 -0.314 3.628 3.960 -0.029 0.000 0.236 438 G C 1.062 175.917 174.900 -0.075 0.000 0.991 438 G CA 1.086 46.119 45.100 -0.112 0.000 0.629 438 G HN 0.456 nan 8.290 nan 0.000 0.517 439 T N -0.168 114.311 114.554 -0.126 0.000 2.951 439 T HA -0.011 4.321 4.350 -0.029 0.000 0.268 439 T C 1.906 176.582 174.700 -0.041 0.000 1.073 439 T CA 1.834 63.889 62.100 -0.075 0.000 1.134 439 T CB -0.335 68.480 68.868 -0.088 0.000 0.884 439 T HN 0.587 nan 8.240 nan 0.000 0.479 440 D N 1.296 121.665 120.400 -0.051 0.000 2.224 440 D HA -0.076 4.547 4.640 -0.029 0.000 0.205 440 D C 0.306 176.599 176.300 -0.013 0.000 0.965 440 D CA 0.204 54.185 54.000 -0.032 0.000 0.852 440 D CB -0.638 40.136 40.800 -0.042 0.000 0.947 440 D HN 0.257 nan 8.370 nan 0.000 0.494 441 N N 1.275 119.977 118.700 0.004 0.000 2.492 441 N HA 0.083 4.806 4.740 -0.029 0.000 0.260 441 N C 0.525 176.092 175.510 0.095 0.000 1.215 441 N CA 0.435 53.501 53.050 0.026 0.000 0.923 441 N CB 1.175 39.727 38.487 0.108 0.000 1.092 441 N HN 0.361 nan 8.380 nan 0.000 0.448 442 T N -1.773 112.833 114.554 0.087 0.000 2.807 442 T HA 0.347 4.680 4.350 -0.029 0.000 0.277 442 T C 0.944 175.781 174.700 0.227 0.000 1.006 442 T CA -0.766 61.410 62.100 0.127 0.000 1.006 442 T CB 0.718 69.625 68.868 0.064 0.000 1.274 442 T HN 0.158 nan 8.240 nan 0.000 0.569 443 N N 0.840 119.661 118.700 0.201 0.000 2.443 443 N HA -0.061 4.662 4.740 -0.029 0.000 0.184 443 N C 1.929 177.565 175.510 0.211 0.000 1.037 443 N CA 1.267 54.471 53.050 0.258 0.000 0.896 443 N CB -0.465 38.106 38.487 0.140 0.000 0.959 443 N HN 0.750 nan 8.380 nan 0.000 0.442 444 S N -0.640 115.134 115.700 0.122 0.000 2.522 444 S HA 0.022 4.474 4.470 -0.029 0.000 0.227 444 S C 1.034 175.684 174.600 0.083 0.000 0.986 444 S CA 0.423 58.678 58.200 0.093 0.000 0.929 444 S CB 0.083 63.326 63.200 0.072 0.000 0.769 444 S HN 0.175 nan 8.310 nan 0.000 0.529 445 D N 0.550 120.910 120.400 -0.067 0.000 2.349 445 D HA 0.096 4.718 4.640 -0.029 0.000 0.224 445 D C -0.707 175.228 176.300 -0.607 0.000 1.029 445 D CA 0.550 54.385 54.000 -0.275 0.000 0.879 445 D CB -0.006 40.454 40.800 -0.567 0.000 0.906 445 D HN 0.507 nan 8.370 nan 0.000 0.528 446 F N 1.594 121.521 119.950 -0.037 0.000 2.523 446 F HA 0.270 4.780 4.527 -0.029 0.000 0.322 446 F C -2.214 173.488 175.800 -0.163 0.000 1.361 446 F CA -2.212 55.709 58.000 -0.131 0.000 1.151 446 F CB 1.016 39.965 39.000 -0.084 0.000 1.391 446 F HN -0.255 nan 8.300 nan 0.000 0.566 447 P HA 0.100 nan 4.420 nan 0.000 0.271 447 P C 0.202 177.439 177.300 -0.106 0.000 1.216 447 P CA 0.323 63.347 63.100 -0.126 0.000 0.776 447 P CB 0.950 32.516 31.700 -0.224 0.000 0.881 448 N N -1.951 116.715 118.700 -0.057 0.000 2.936 448 N HA -0.178 4.545 4.740 -0.029 0.000 0.236 448 N C 0.425 175.897 175.510 -0.063 0.000 0.930 448 N CA 1.567 54.581 53.050 -0.061 0.000 0.966 448 N CB -1.855 36.585 38.487 -0.079 0.000 1.090 448 N HN 0.673 nan 8.380 nan 0.000 0.592 449 A N 0.207 123.002 122.820 -0.042 0.000 2.327 449 A HA 0.613 4.915 4.320 -0.029 0.000 0.255 449 A C 0.443 177.995 177.584 -0.053 0.000 1.099 449 A CA 0.673 52.679 52.037 -0.052 0.000 0.801 449 A CB 0.519 19.509 19.000 -0.017 0.000 1.062 449 A HN 0.141 nan 8.150 nan 0.000 0.496 450 T N 1.053 115.557 114.554 -0.082 0.000 2.937 450 T HA 0.478 4.811 4.350 -0.029 0.000 0.297 450 T C 0.044 174.696 174.700 -0.081 0.000 0.991 450 T CA -0.046 62.012 62.100 -0.069 0.000 0.990 450 T CB 1.094 69.915 68.868 -0.078 0.000 0.991 450 T HN 1.071 nan 8.240 nan 0.000 0.440 451 S N 3.044 118.718 115.700 -0.044 0.000 2.593 451 S HA 0.348 4.800 4.470 -0.029 0.000 0.269 451 S C 1.558 176.146 174.600 -0.019 0.000 1.334 451 S CA -0.710 57.472 58.200 -0.029 0.000 1.015 451 S CB 0.204 63.427 63.200 0.038 0.000 0.912 451 S HN 0.605 nan 8.310 nan 0.000 0.541 452 I N 0.790 121.352 120.570 -0.014 0.000 2.226 452 I HA -0.102 4.050 4.170 -0.029 0.000 0.245 452 I C 2.189 178.313 176.117 0.012 0.000 1.100 452 I CA 1.595 62.883 61.300 -0.018 0.000 1.374 452 I CB -0.464 37.525 38.000 -0.019 0.000 1.057 452 I HN 0.796 nan 8.210 nan 0.000 0.413 453 F N 1.236 121.160 119.950 -0.044 0.000 2.095 453 F HA -0.307 4.202 4.527 -0.030 0.000 0.298 453 F C 2.803 178.585 175.800 -0.030 0.000 1.104 453 F CA 2.007 59.989 58.000 -0.030 0.000 1.232 453 F CB -0.435 38.553 39.000 -0.020 0.000 0.987 453 F HN -0.014 nan 8.300 nan 0.000 0.475 454 S N 0.018 115.681 115.700 -0.062 0.000 2.368 454 S HA -0.091 4.362 4.470 -0.029 0.000 0.225 454 S C 2.367 176.836 174.600 -0.219 0.000 1.030 454 S CA 1.430 59.535 58.200 -0.158 0.000 0.999 454 S CB -1.284 61.920 63.200 0.007 0.000 0.844 454 S HN 0.582 nan 8.310 nan 0.000 0.459 455 G N 1.522 110.230 108.800 -0.154 0.000 2.421 455 G HA2 -0.108 3.835 3.960 -0.029 0.000 0.216 455 G HA3 -0.108 3.835 3.960 -0.029 0.000 0.216 455 G C 1.453 176.250 174.900 -0.172 0.000 1.171 455 G CA 0.937 45.953 45.100 -0.140 0.000 0.775 455 G HN 0.511 nan 8.290 nan 0.000 0.543 456 L N -0.078 121.021 121.223 -0.207 0.000 1.994 456 L HA -0.149 4.174 4.340 -0.029 0.000 0.208 456 L C 3.027 179.726 176.870 -0.284 0.000 1.071 456 L CA 1.804 56.518 54.840 -0.211 0.000 0.745 456 L CB -0.464 41.487 42.059 -0.180 0.000 0.892 456 L HN 0.327 nan 8.230 nan 0.000 0.431 457 Q N -0.582 118.915 119.800 -0.504 0.000 2.084 457 Q HA -0.255 4.068 4.340 -0.029 0.000 0.202 457 Q C 2.352 178.195 176.000 -0.261 0.000 0.978 457 Q CA 2.025 57.529 55.803 -0.497 0.000 0.844 457 Q CB -0.087 28.152 28.738 -0.832 0.000 0.898 457 Q HN 0.414 nan 8.270 nan 0.000 0.426 458 S N -0.106 115.461 115.700 -0.221 0.000 2.365 458 S HA -0.242 4.210 4.470 -0.029 0.000 0.225 458 S C 1.868 176.407 174.600 -0.101 0.000 1.039 458 S CA 1.879 59.999 58.200 -0.132 0.000 1.033 458 S CB -0.151 62.983 63.200 -0.110 0.000 0.887 458 S HN 0.556 nan 8.310 nan 0.000 0.447 459 Q N -0.020 119.718 119.800 -0.103 0.000 2.137 459 Q HA 0.020 4.343 4.340 -0.029 0.000 0.198 459 Q C 2.398 178.358 176.000 -0.067 0.000 0.960 459 Q CA 1.374 57.135 55.803 -0.071 0.000 0.847 459 Q CB -0.337 28.366 28.738 -0.059 0.000 0.915 459 Q HN 0.633 nan 8.270 nan 0.000 0.448 460 V N -0.196 119.666 119.914 -0.086 0.000 2.453 460 V HA -0.178 3.924 4.120 -0.029 0.000 0.247 460 V C 1.870 177.931 176.094 -0.056 0.000 1.048 460 V CA 2.155 64.415 62.300 -0.068 0.000 1.049 460 V CB -0.592 31.190 31.823 -0.068 0.000 0.672 460 V HN 0.260 nan 8.190 nan 0.000 0.457 461 T N 0.379 114.893 114.554 -0.065 0.000 2.720 461 T HA -0.186 4.146 4.350 -0.029 0.000 0.268 461 T C 1.887 176.566 174.700 -0.036 0.000 1.037 461 T CA 2.224 64.297 62.100 -0.046 0.000 1.144 461 T CB -0.309 68.529 68.868 -0.050 0.000 0.864 461 T HN 0.565 nan 8.240 nan 0.000 0.444 462 K N 0.868 121.244 120.400 -0.040 0.000 2.211 462 K HA 0.128 4.430 4.320 -0.029 0.000 0.203 462 K C 2.389 178.973 176.600 -0.026 0.000 1.050 462 K CA 0.965 57.234 56.287 -0.030 0.000 0.945 462 K CB -0.097 32.385 32.500 -0.031 0.000 0.732 462 K HN 0.274 nan 8.250 nan 0.000 0.451 463 A N 0.379 123.181 122.820 -0.030 0.000 2.169 463 A HA 0.161 4.463 4.320 -0.029 0.000 0.212 463 A C 1.366 178.937 177.584 -0.023 0.000 1.153 463 A CA 0.860 52.882 52.037 -0.026 0.000 0.756 463 A CB -0.189 18.793 19.000 -0.029 0.000 0.813 463 A HN 0.385 nan 8.150 nan 0.000 0.471 464 G N -1.581 107.206 108.800 -0.023 0.000 2.147 464 G HA2 -0.026 3.916 3.960 -0.029 0.000 0.244 464 G HA3 -0.026 3.916 3.960 -0.029 0.000 0.244 464 G C 0.699 175.589 174.900 -0.017 0.000 1.005 464 G CA 0.489 45.578 45.100 -0.018 0.000 0.713 464 G HN 1.259 nan 8.290 nan 0.000 0.515 465 G N -0.943 107.845 108.800 -0.021 0.000 2.535 465 G HA2 0.597 4.539 3.960 -0.029 0.000 0.282 465 G HA3 0.597 4.539 3.960 -0.029 0.000 0.282 465 G C -0.166 174.726 174.900 -0.013 0.000 1.350 465 G CA -0.491 44.597 45.100 -0.019 0.000 1.039 465 G HN 0.276 nan 8.290 nan 0.000 0.509 466 K N -0.506 119.889 120.400 -0.007 0.000 2.316 466 K HA 0.554 4.856 4.320 -0.029 0.000 0.251 466 K C -1.261 175.347 176.600 0.013 0.000 0.934 466 K CA -0.527 55.764 56.287 0.006 0.000 0.802 466 K CB 2.645 35.152 32.500 0.012 0.000 1.171 466 K HN 0.430 nan 8.250 nan 0.000 0.426 467 I N 0.870 121.461 120.570 0.035 0.000 2.686 467 I HA 0.389 4.541 4.170 -0.029 0.000 0.295 467 I C -0.860 175.349 176.117 0.153 0.000 1.114 467 I CA -0.319 61.025 61.300 0.073 0.000 1.038 467 I CB 2.227 40.239 38.000 0.021 0.000 1.238 467 I HN 0.746 nan 8.210 nan 0.000 0.420 468 T N 4.673 119.337 114.554 0.184 0.000 2.907 468 T HA 0.624 4.957 4.350 -0.029 0.000 0.292 468 T C -1.092 173.722 174.700 0.191 0.000 1.043 468 T CA -0.750 61.461 62.100 0.184 0.000 1.003 468 T CB 1.836 70.767 68.868 0.104 0.000 1.084 468 T HN 0.515 nan 8.240 nan 0.000 0.483 469 L N 1.562 122.775 121.223 -0.017 0.000 2.313 469 L HA 0.837 5.159 4.340 -0.029 0.000 0.283 469 L C -0.508 176.262 176.870 -0.167 0.000 1.013 469 L CA -0.009 54.656 54.840 -0.293 0.000 0.816 469 L CB 1.823 43.194 42.059 -1.146 0.000 1.236 469 L HN 0.902 nan 8.230 nan 0.000 0.419 470 S N 2.940 118.589 115.700 -0.085 0.000 2.668 470 S HA 0.350 4.802 4.470 -0.029 0.000 0.277 470 S C 0.503 175.091 174.600 -0.019 0.000 1.170 470 S CA -0.517 57.656 58.200 -0.044 0.000 0.994 470 S CB 1.106 64.314 63.200 0.013 0.000 1.051 470 S HN 0.891 nan 8.310 nan 0.000 0.484 471 E N 2.006 122.191 120.200 -0.026 0.000 2.085 471 E HA -0.115 4.217 4.350 -0.029 0.000 0.194 471 E C 1.357 177.988 176.600 0.051 0.000 0.994 471 E CA 1.633 58.039 56.400 0.010 0.000 0.801 471 E CB 0.049 29.754 29.700 0.008 0.000 0.743 471 E HN 0.741 nan 8.360 nan 0.000 0.453 472 S N -1.063 114.665 115.700 0.047 0.000 2.634 472 S HA 0.251 4.704 4.470 -0.029 0.000 0.221 472 S C 1.236 175.862 174.600 0.043 0.000 0.952 472 S CA 0.206 58.440 58.200 0.056 0.000 0.930 472 S CB 0.741 63.970 63.200 0.050 0.000 0.780 472 S HN 0.354 nan 8.310 nan 0.000 0.498 473 G N 1.233 110.070 108.800 0.062 0.000 2.160 473 G HA2 -0.242 3.700 3.960 -0.029 0.000 0.244 473 G HA3 -0.242 3.700 3.960 -0.029 0.000 0.244 473 G C -0.395 174.588 174.900 0.139 0.000 1.022 473 G CA -0.074 45.092 45.100 0.111 0.000 0.741 473 G HN 0.649 nan 8.290 nan 0.000 0.508 474 E N -0.486 119.751 120.200 0.061 0.000 2.338 474 E HA 0.574 4.907 4.350 -0.029 0.000 0.272 474 E C 0.136 176.784 176.600 0.079 0.000 1.029 474 E CA -0.215 56.169 56.400 -0.026 0.000 0.872 474 E CB 0.541 30.216 29.700 -0.041 0.000 1.015 474 E HN 0.723 nan 8.360 nan 0.000 0.417 475 Y N -1.491 118.809 120.300 0.001 0.000 2.625 475 Y HA 0.411 4.943 4.550 -0.030 0.000 0.338 475 Y C 0.399 176.301 175.900 0.003 0.000 1.123 475 Y CA -1.060 57.043 58.100 0.004 0.000 1.046 475 Y CB 0.857 39.322 38.460 0.008 0.000 1.299 475 Y HN 0.244 nan 8.280 nan 0.000 0.464 476 T N -0.355 114.314 114.554 0.190 0.000 2.898 476 T HA 0.115 4.448 4.350 -0.029 0.000 0.241 476 T C 0.195 175.024 174.700 0.215 0.000 1.024 476 T CA 0.930 63.099 62.100 0.115 0.000 1.174 476 T CB -0.232 68.680 68.868 0.074 0.000 0.873 476 T HN 0.571 nan 8.240 nan 0.000 0.422 477 S N 1.410 117.246 115.700 0.226 0.000 2.525 477 S HA 0.510 4.962 4.470 -0.029 0.000 0.290 477 S C -0.325 174.352 174.600 0.128 0.000 1.152 477 S CA -0.855 57.448 58.200 0.172 0.000 1.072 477 S CB 1.638 64.883 63.200 0.075 0.000 1.027 477 S HN 0.126 nan 8.310 nan 0.000 0.500 478 K N 3.951 124.375 120.400 0.039 0.000 2.466 478 K HA 0.085 4.387 4.320 -0.029 0.000 0.278 478 K C -2.117 174.361 176.600 -0.203 0.000 1.048 478 K CA -1.051 55.104 56.287 -0.220 0.000 1.088 478 K CB 0.071 32.516 32.500 -0.092 0.000 0.884 478 K HN 0.306 nan 8.250 nan 0.000 0.478 479 P HA 0.078 nan 4.420 nan 0.000 0.274 479 P C -0.481 176.736 177.300 -0.138 0.000 1.237 479 P CA -0.308 62.685 63.100 -0.178 0.000 0.793 479 P CB 0.820 32.402 31.700 -0.196 0.000 0.977 480 D N -0.611 119.737 120.400 -0.086 0.000 2.310 480 D HA 0.018 4.641 4.640 -0.029 0.000 0.212 480 D C 0.524 176.784 176.300 -0.068 0.000 0.965 480 D CA 1.144 55.103 54.000 -0.067 0.000 0.879 480 D CB 0.222 40.993 40.800 -0.048 0.000 0.921 480 D HN 0.074 nan 8.370 nan 0.000 0.510 481 V N -0.605 119.264 119.914 -0.075 0.000 3.036 481 V HA 0.495 4.597 4.120 -0.029 0.000 0.280 481 V C -1.905 174.155 176.094 -0.057 0.000 1.497 481 V CA -0.901 61.364 62.300 -0.058 0.000 0.982 481 V CB 2.018 33.818 31.823 -0.040 0.000 1.171 481 V HN 0.019 nan 8.190 nan 0.000 0.444 482 A N 6.903 129.696 122.820 -0.045 0.000 2.273 482 A HA 0.824 5.127 4.320 -0.029 0.000 0.315 482 A C -0.600 176.982 177.584 -0.002 0.000 1.256 482 A CA -0.477 51.545 52.037 -0.024 0.000 0.851 482 A CB 0.665 19.651 19.000 -0.022 0.000 1.172 482 A HN 0.805 nan 8.150 nan 0.000 0.508 483 I N 3.400 123.976 120.570 0.011 0.000 2.322 483 I HA 0.195 4.347 4.170 -0.029 0.000 0.292 483 I C -0.571 175.561 176.117 0.026 0.000 1.060 483 I CA -0.257 61.051 61.300 0.014 0.000 1.309 483 I CB 1.192 39.204 38.000 0.019 0.000 1.415 483 I HN 0.297 nan 8.210 nan 0.000 0.492 484 V N 7.818 127.741 119.914 0.016 0.000 2.328 484 V HA 0.248 4.351 4.120 -0.029 0.000 0.278 484 V C 0.099 176.205 176.094 0.021 0.000 1.021 484 V CA -0.669 61.651 62.300 0.034 0.000 0.838 484 V CB 1.453 33.306 31.823 0.050 0.000 0.999 484 V HN 0.377 nan 8.190 nan 0.000 0.447 485 V N 7.351 127.284 119.914 0.032 0.000 2.333 485 V HA 0.554 4.657 4.120 -0.029 0.000 0.274 485 V C 0.045 176.167 176.094 0.046 0.000 1.028 485 V CA -0.240 62.066 62.300 0.010 0.000 0.851 485 V CB 0.878 32.702 31.823 0.002 0.000 1.000 485 V HN 0.821 nan 8.190 nan 0.000 0.456 486 I N 1.902 122.510 120.570 0.062 0.000 3.145 486 I HA 1.117 5.269 4.170 -0.029 0.000 0.313 486 I C 0.137 176.281 176.117 0.044 0.000 1.122 486 I CA -0.674 60.720 61.300 0.156 0.000 0.987 486 I CB 2.574 40.770 38.000 0.328 0.000 1.236 486 I HN 0.712 nan 8.210 nan 0.000 0.453 487 G N 1.696 110.586 108.800 0.150 0.000 2.344 487 G HA2 0.143 4.085 3.960 -0.029 0.000 0.282 487 G HA3 0.143 4.085 3.960 -0.029 0.000 0.282 487 G C -1.761 173.267 174.900 0.214 0.000 1.281 487 G CA -0.890 44.097 45.100 -0.189 0.000 0.877 487 G HN 0.788 nan 8.290 nan 0.000 0.494 488 E N 1.310 121.537 120.200 0.046 0.000 2.376 488 E HA 0.224 4.556 4.350 -0.029 0.000 0.266 488 E C -0.035 176.617 176.600 0.087 0.000 1.009 488 E CA -0.133 56.386 56.400 0.199 0.000 0.902 488 E CB 0.727 30.554 29.700 0.211 0.000 0.972 488 E HN 0.320 nan 8.360 nan 0.000 0.439 489 E N 3.935 124.204 120.200 0.115 0.000 2.415 489 E HA 0.051 4.383 4.350 -0.029 0.000 0.262 489 E C -2.008 174.607 176.600 0.024 0.000 1.038 489 E CA -1.503 54.925 56.400 0.046 0.000 0.921 489 E CB -0.240 29.491 29.700 0.050 0.000 0.950 489 E HN 0.327 nan 8.360 nan 0.000 0.438 490 P HA 0.097 nan 4.420 nan 0.000 0.271 490 P C -0.956 176.217 177.300 -0.211 0.000 1.218 490 P CA 0.148 63.082 63.100 -0.277 0.000 0.780 490 P CB 0.210 31.773 31.700 -0.229 0.000 0.901 491 Y N -1.380 118.768 120.300 -0.254 0.000 2.624 491 Y HA 0.763 5.296 4.550 -0.030 0.000 0.334 491 Y C -1.723 173.953 175.900 -0.374 0.000 1.155 491 Y CA -1.792 56.108 58.100 -0.333 0.000 1.046 491 Y CB 0.567 38.913 38.460 -0.189 0.000 1.316 491 Y HN 0.579 nan 8.280 nan 0.000 0.457 492 A N 1.530 124.040 122.820 -0.517 0.000 2.386 492 A HA 0.813 5.116 4.320 -0.029 0.000 0.311 492 A C -0.263 177.036 177.584 -0.476 0.000 1.068 492 A CA -0.062 51.623 52.037 -0.587 0.000 0.743 492 A CB 0.976 19.109 19.000 -1.445 0.000 1.258 492 A HN 1.039 nan 8.150 nan 0.000 0.429 493 E N -0.953 119.157 120.200 -0.149 0.000 3.228 493 E HA -0.351 3.981 4.350 -0.029 0.000 0.299 493 E C 0.793 177.388 176.600 -0.007 0.000 1.446 493 E CA 2.109 58.495 56.400 -0.023 0.000 1.835 493 E CB -0.986 28.838 29.700 0.206 0.000 1.933 493 E HN 1.262 nan 8.360 nan 0.000 0.511 494 W N 0.677 122.031 121.300 0.091 0.000 2.468 494 W HA 0.044 4.686 4.660 -0.030 0.000 0.262 494 W C 1.787 178.266 176.519 -0.067 0.000 1.241 494 W CA 0.702 58.055 57.345 0.014 0.000 1.232 494 W CB -0.687 28.774 29.460 0.001 0.000 1.124 494 W HN 0.337 nan 8.180 nan 0.000 0.597 495 F N 1.606 121.197 119.950 -0.600 0.000 2.216 495 F HA -0.011 4.499 4.527 -0.029 0.000 0.300 495 F C 2.614 178.189 175.800 -0.373 0.000 1.085 495 F CA 1.638 59.352 58.000 -0.476 0.000 1.326 495 F CB -0.704 37.921 39.000 -0.626 0.000 1.027 495 F HN 0.094 nan 8.300 nan 0.000 0.497 496 G N -1.437 107.181 108.800 -0.304 0.000 2.985 496 G HA2 -0.058 3.885 3.960 -0.029 0.000 0.209 496 G HA3 -0.058 3.885 3.960 -0.029 0.000 0.209 496 G C -0.203 174.387 174.900 -0.517 0.000 1.165 496 G CA -0.192 44.378 45.100 -0.884 0.000 0.776 496 G HN 0.058 nan 8.290 nan 0.000 0.541 497 D N 1.095 121.356 120.400 -0.231 0.000 2.487 497 D HA 0.247 4.869 4.640 -0.029 0.000 0.243 497 D C 0.868 177.071 176.300 -0.162 0.000 1.154 497 D CA 0.424 54.355 54.000 -0.114 0.000 0.876 497 D CB 0.749 41.535 40.800 -0.023 0.000 1.161 497 D HN 0.447 nan 8.370 nan 0.000 0.478 498 I N -1.564 118.930 120.570 -0.126 0.000 3.170 498 I HA 0.471 4.624 4.170 -0.029 0.000 0.312 498 I C 0.383 176.428 176.117 -0.119 0.000 1.085 498 I CA -0.771 60.461 61.300 -0.112 0.000 0.999 498 I CB 2.215 40.179 38.000 -0.060 0.000 1.233 498 I HN 0.149 nan 8.210 nan 0.000 0.467 499 E N 0.891 121.022 120.200 -0.115 0.000 2.391 499 E HA 0.277 4.609 4.350 -0.029 0.000 0.206 499 E C -0.536 176.020 176.600 -0.073 0.000 0.851 499 E CA -0.028 56.275 56.400 -0.162 0.000 1.059 499 E CB 0.968 30.564 29.700 -0.173 0.000 1.065 499 E HN 0.324 nan 8.360 nan 0.000 0.512 500 L N 1.743 122.957 121.223 -0.015 0.000 2.307 500 L HA 0.303 4.625 4.340 -0.029 0.000 0.284 500 L C 1.128 178.082 176.870 0.140 0.000 1.023 500 L CA 0.056 54.915 54.840 0.031 0.000 0.810 500 L CB 1.387 43.339 42.059 -0.177 0.000 1.231 500 L HN 0.107 nan 8.230 nan 0.000 0.423 501 L N 1.043 122.390 121.223 0.207 0.000 2.478 501 L HA 0.060 4.383 4.340 -0.029 0.000 0.223 501 L C 1.115 178.175 176.870 0.316 0.000 1.140 501 L CA 0.317 55.293 54.840 0.226 0.000 0.842 501 L CB 0.103 42.257 42.059 0.158 0.000 0.953 501 L HN 0.681 nan 8.230 nan 0.000 0.452 502 E N 0.938 121.335 120.200 0.327 0.000 2.324 502 E HA -0.045 4.288 4.350 -0.029 0.000 0.271 502 E C -0.448 176.432 176.600 0.467 0.000 1.028 502 E CA -0.642 56.074 56.400 0.526 0.000 0.890 502 E CB 0.568 30.610 29.700 0.570 0.000 1.004 502 E HN -0.027 nan 8.360 nan 0.000 0.431 503 F N 4.726 124.869 119.950 0.322 0.000 2.543 503 F HA 0.008 4.517 4.527 -0.030 0.000 0.375 503 F C 0.336 176.294 175.800 0.262 0.000 1.075 503 F CA 0.287 58.466 58.000 0.299 0.000 1.225 503 F CB 0.083 39.276 39.000 0.322 0.000 1.099 503 F HN 0.690 nan 8.300 nan 0.000 0.561 504 Q N 3.647 123.242 119.800 -0.342 0.000 2.451 504 Q HA -0.373 3.949 4.340 -0.029 0.000 0.305 504 Q C 1.020 176.988 176.000 -0.053 0.000 1.345 504 Q CA 1.078 56.678 55.803 -0.337 0.000 0.854 504 Q CB -1.800 26.559 28.738 -0.632 0.000 1.162 504 Q HN 0.962 nan 8.270 nan 0.000 0.440 505 H N 0.786 119.856 119.070 0.001 0.000 2.357 505 H HA -0.209 4.330 4.556 -0.029 0.000 0.296 505 H C 1.899 177.242 175.328 0.024 0.000 1.108 505 H CA 2.403 58.482 56.048 0.052 0.000 1.273 505 H CB 0.292 30.098 29.762 0.073 0.000 1.367 505 H HN 0.463 nan 8.280 nan 0.000 0.498 506 E N -0.942 119.247 120.200 -0.017 0.000 2.038 506 E HA -0.142 4.190 4.350 -0.029 0.000 0.195 506 E C 2.256 178.810 176.600 -0.077 0.000 1.000 506 E CA 2.500 58.866 56.400 -0.056 0.000 0.803 506 E CB -0.202 29.495 29.700 -0.005 0.000 0.750 506 E HN 0.683 nan 8.360 nan 0.000 0.448 507 T N -3.658 110.863 114.554 -0.055 0.000 2.978 507 T HA 0.158 4.491 4.350 -0.029 0.000 0.248 507 T C 0.468 175.166 174.700 -0.003 0.000 1.018 507 T CA 0.051 62.143 62.100 -0.014 0.000 1.026 507 T CB 0.227 69.110 68.868 0.025 0.000 1.032 507 T HN -0.063 nan 8.240 nan 0.000 0.485 508 K N 1.142 121.521 120.400 -0.036 0.000 2.975 508 K HA -0.255 4.048 4.320 -0.029 0.000 0.257 508 K C 0.563 177.171 176.600 0.013 0.000 1.005 508 K CA 1.074 57.349 56.287 -0.019 0.000 0.738 508 K CB -2.332 30.166 32.500 -0.002 0.000 1.236 508 K HN 0.798 nan 8.250 nan 0.000 0.483 509 H N -0.285 118.744 119.070 -0.067 0.000 2.352 509 H HA -0.017 4.521 4.556 -0.029 0.000 0.299 509 H C 1.892 177.233 175.328 0.021 0.000 1.097 509 H CA 2.566 58.599 56.048 -0.025 0.000 1.311 509 H CB 0.166 29.907 29.762 -0.035 0.000 1.377 509 H HN 0.394 nan 8.280 nan 0.000 0.504 510 A N 0.205 123.099 122.820 0.122 0.000 1.929 510 A HA -0.068 4.234 4.320 -0.029 0.000 0.216 510 A C 2.337 179.985 177.584 0.106 0.000 1.176 510 A CA 1.274 53.412 52.037 0.167 0.000 0.628 510 A CB -0.778 18.457 19.000 0.392 0.000 0.816 510 A HN 0.479 nan 8.150 nan 0.000 0.444 511 L N -0.090 121.190 121.223 0.095 0.000 2.083 511 L HA -0.090 4.233 4.340 -0.029 0.000 0.209 511 L C 2.612 179.490 176.870 0.013 0.000 1.083 511 L CA 2.112 56.992 54.840 0.068 0.000 0.752 511 L CB -0.717 41.376 42.059 0.056 0.000 0.899 511 L HN 0.342 nan 8.230 nan 0.000 0.433 512 A N -0.448 122.351 122.820 -0.036 0.000 1.865 512 A HA -0.237 4.065 4.320 -0.029 0.000 0.217 512 A C 2.254 179.805 177.584 -0.053 0.000 1.191 512 A CA 2.109 54.106 52.037 -0.065 0.000 0.623 512 A CB -1.145 17.777 19.000 -0.131 0.000 0.826 512 A HN 0.501 nan 8.150 nan 0.000 0.444 513 L N -0.136 121.044 121.223 -0.072 0.000 2.046 513 L HA -0.095 4.228 4.340 -0.029 0.000 0.208 513 L C 2.259 179.142 176.870 0.020 0.000 1.077 513 L CA 1.577 56.400 54.840 -0.028 0.000 0.747 513 L CB -0.520 41.523 42.059 -0.026 0.000 0.896 513 L HN 0.417 nan 8.230 nan 0.000 0.432 514 L N -0.600 120.645 121.223 0.036 0.000 2.012 514 L HA -0.253 4.069 4.340 -0.029 0.000 0.210 514 L C 2.607 179.495 176.870 0.030 0.000 1.073 514 L CA 1.753 56.620 54.840 0.046 0.000 0.748 514 L CB -0.714 41.384 42.059 0.065 0.000 0.891 514 L HN 0.263 nan 8.230 nan 0.000 0.431 515 K N -0.474 119.937 120.400 0.019 0.000 2.147 515 K HA -0.232 4.070 4.320 -0.029 0.000 0.205 515 K C 2.134 178.744 176.600 0.016 0.000 1.049 515 K CA 1.148 57.442 56.287 0.012 0.000 0.936 515 K CB -0.063 32.439 32.500 0.004 0.000 0.722 515 K HN 0.134 nan 8.250 nan 0.000 0.446 516 Q N 1.333 121.144 119.800 0.018 0.000 2.046 516 Q HA -0.072 4.251 4.340 -0.029 0.000 0.200 516 Q C 1.850 177.882 176.000 0.053 0.000 0.975 516 Q CA 1.420 57.241 55.803 0.029 0.000 0.836 516 Q CB -0.173 28.579 28.738 0.024 0.000 0.896 516 Q HN 0.256 nan 8.270 nan 0.000 0.428 517 L N 0.237 121.496 121.223 0.059 0.000 2.046 517 L HA -0.186 4.136 4.340 -0.029 0.000 0.208 517 L C 2.392 179.281 176.870 0.033 0.000 1.077 517 L CA 1.419 56.295 54.840 0.060 0.000 0.747 517 L CB -0.576 41.511 42.059 0.047 0.000 0.896 517 L HN 0.174 nan 8.230 nan 0.000 0.432 518 K N 0.931 121.346 120.400 0.024 0.000 2.009 518 K HA -0.166 4.136 4.320 -0.029 0.000 0.210 518 K C 1.996 178.605 176.600 0.015 0.000 1.049 518 K CA 1.930 58.226 56.287 0.014 0.000 0.929 518 K CB -0.552 31.954 32.500 0.010 0.000 0.714 518 K HN 0.224 nan 8.250 nan 0.000 0.440 519 A N 0.365 123.197 122.820 0.021 0.000 2.067 519 A HA -0.084 4.219 4.320 -0.029 0.000 0.219 519 A C 1.038 178.639 177.584 0.029 0.000 1.158 519 A CA 1.761 53.811 52.037 0.020 0.000 0.661 519 A CB -0.358 18.653 19.000 0.018 0.000 0.801 519 A HN 0.384 nan 8.150 nan 0.000 0.452 520 D N 0.516 120.943 120.400 0.044 0.000 2.336 520 D HA 0.055 4.677 4.640 -0.029 0.000 0.228 520 D C -0.204 176.116 176.300 0.034 0.000 1.120 520 D CA -0.022 54.013 54.000 0.059 0.000 0.839 520 D CB -0.344 40.529 40.800 0.122 0.000 0.932 520 D HN 0.335 nan 8.370 nan 0.000 0.509 521 N N 0.614 119.324 118.700 0.016 0.000 2.725 521 N HA -0.218 4.504 4.740 -0.029 0.000 0.251 521 N C -0.527 174.973 175.510 -0.016 0.000 1.031 521 N CA 0.531 53.581 53.050 0.001 0.000 0.720 521 N CB -1.267 37.221 38.487 0.001 0.000 0.930 521 N HN 0.396 nan 8.380 nan 0.000 0.543 522 I N 1.580 122.137 120.570 -0.022 0.000 2.312 522 I HA 0.229 4.382 4.170 -0.029 0.000 0.290 522 I C -1.777 174.320 176.117 -0.033 0.000 1.008 522 I CA -1.837 59.433 61.300 -0.051 0.000 1.226 522 I CB 1.352 39.299 38.000 -0.089 0.000 1.371 522 I HN -0.173 nan 8.210 nan 0.000 0.468 523 P HA -0.016 nan 4.420 nan 0.000 0.265 523 P C -0.705 176.582 177.300 -0.022 0.000 1.193 523 P CA 0.086 63.171 63.100 -0.025 0.000 0.765 523 P CB 1.354 33.037 31.700 -0.028 0.000 0.823 524 V N 4.408 124.317 119.914 -0.009 0.000 2.531 524 V HA 0.377 4.480 4.120 -0.029 0.000 0.301 524 V C -0.939 175.157 176.094 0.004 0.000 1.034 524 V CA -0.795 61.505 62.300 -0.000 0.000 0.865 524 V CB 2.211 34.042 31.823 0.012 0.000 0.995 524 V HN 0.203 nan 8.190 nan 0.000 0.424 525 V N 5.885 125.798 119.914 -0.002 0.000 2.357 525 V HA 0.486 4.588 4.120 -0.029 0.000 0.284 525 V C 0.362 176.434 176.094 -0.036 0.000 1.018 525 V CA -0.242 62.051 62.300 -0.012 0.000 0.841 525 V CB 1.780 33.601 31.823 -0.003 0.000 0.991 525 V HN 0.987 nan 8.190 nan 0.000 0.437 526 T N 4.777 119.280 114.554 -0.084 0.000 2.767 526 T HA 0.485 4.817 4.350 -0.029 0.000 0.284 526 T C -0.163 174.308 174.700 -0.381 0.000 0.973 526 T CA -0.309 61.681 62.100 -0.184 0.000 0.996 526 T CB 1.429 70.215 68.868 -0.136 0.000 0.927 526 T HN 0.334 nan 8.240 nan 0.000 0.456 527 V N 4.671 124.434 119.914 -0.252 0.000 2.350 527 V HA 0.393 4.495 4.120 -0.029 0.000 0.276 527 V C -0.535 175.413 176.094 -0.244 0.000 1.028 527 V CA -0.844 61.303 62.300 -0.255 0.000 0.860 527 V CB 0.642 32.390 31.823 -0.126 0.000 0.990 527 V HN 0.766 nan 8.190 nan 0.000 0.453 528 F N 6.367 125.974 119.950 -0.572 0.000 2.391 528 F HA 0.575 5.085 4.527 -0.029 0.000 0.359 528 F C -0.200 175.420 175.800 -0.301 0.000 1.122 528 F CA -1.018 56.705 58.000 -0.462 0.000 1.120 528 F CB 0.934 39.637 39.000 -0.494 0.000 1.142 528 F HN 0.292 nan 8.300 nan 0.000 0.483 529 L N 6.479 127.335 121.223 -0.611 0.000 2.262 529 L HA 0.550 4.872 4.340 -0.029 0.000 0.288 529 L C -0.339 176.105 176.870 -0.711 0.000 1.035 529 L CA -0.336 54.213 54.840 -0.484 0.000 0.820 529 L CB 0.869 42.752 42.059 -0.293 0.000 1.204 529 L HN 0.732 nan 8.230 nan 0.000 0.424 530 S N 0.592 116.001 115.700 -0.486 0.000 2.588 530 S HA 0.542 4.995 4.470 -0.029 0.000 0.269 530 S C 0.180 174.773 174.600 -0.012 0.000 1.157 530 S CA -0.211 57.787 58.200 -0.338 0.000 0.824 530 S CB 1.619 64.552 63.200 -0.445 0.000 1.126 530 S HN 0.549 nan 8.310 nan 0.000 0.464 531 G N 0.198 109.041 108.800 0.072 0.000 3.233 531 G HA2 0.486 4.429 3.960 -0.029 0.000 0.234 531 G HA3 0.486 4.429 3.960 -0.029 0.000 0.234 531 G C 0.242 175.264 174.900 0.204 0.000 1.137 531 G CA -0.452 44.742 45.100 0.156 0.000 0.763 531 G HN 0.996 nan 8.290 nan 0.000 0.549 532 R N -1.393 119.239 120.500 0.220 0.000 2.739 532 R HA 0.309 4.631 4.340 -0.029 0.000 0.266 532 R C -3.500 172.868 176.300 0.113 0.000 1.044 532 R CA -1.604 54.538 56.100 0.070 0.000 0.885 532 R CB 0.282 30.584 30.300 0.002 0.000 1.260 532 R HN -0.192 nan 8.270 nan 0.000 0.477 533 P HA 0.090 nan 4.420 nan 0.000 0.264 533 P C -0.561 176.378 177.300 -0.601 0.000 1.193 533 P CA 0.091 62.639 63.100 -0.921 0.000 0.763 533 P CB 0.660 31.817 31.700 -0.905 0.000 0.810 534 L N 2.190 123.112 121.223 -0.500 0.000 2.286 534 L HA 0.505 4.827 4.340 -0.029 0.000 0.265 534 L C 0.136 177.010 176.870 0.007 0.000 1.012 534 L CA -1.138 53.676 54.840 -0.042 0.000 0.818 534 L CB 1.292 43.537 42.059 0.311 0.000 1.337 534 L HN 0.358 nan 8.230 nan 0.000 0.438 535 W N 1.799 123.103 121.300 0.007 0.000 2.419 535 W HA 0.428 5.070 4.660 -0.030 0.000 0.312 535 W C 0.088 176.678 176.519 0.117 0.000 1.323 535 W CA -0.321 57.058 57.345 0.056 0.000 1.293 535 W CB 0.680 30.157 29.460 0.029 0.000 1.324 535 W HN 0.157 nan 8.180 nan 0.000 0.512 536 V N 3.263 122.909 119.914 -0.446 0.000 3.187 536 V HA 0.159 4.262 4.120 -0.029 0.000 0.402 536 V C 0.786 176.450 176.094 -0.718 0.000 1.457 536 V CA -0.440 61.567 62.300 -0.488 0.000 1.409 536 V CB -0.130 31.428 31.823 -0.441 0.000 1.218 536 V HN 0.576 nan 8.190 nan 0.000 0.595 537 N N 2.225 120.271 118.700 -1.089 0.000 2.104 537 N HA -0.120 4.602 4.740 -0.029 0.000 0.190 537 N C 1.565 176.761 175.510 -0.522 0.000 1.024 537 N CA 1.991 54.583 53.050 -0.763 0.000 0.853 537 N CB -0.222 37.830 38.487 -0.725 0.000 1.008 537 N HN 0.618 nan 8.380 nan 0.000 0.424 538 K N 0.582 120.666 120.400 -0.527 0.000 2.074 538 K HA -0.160 4.143 4.320 -0.029 0.000 0.209 538 K C 1.840 178.329 176.600 -0.184 0.000 1.048 538 K CA 1.426 57.558 56.287 -0.258 0.000 0.926 538 K CB -0.075 32.327 32.500 -0.164 0.000 0.713 538 K HN 0.181 nan 8.250 nan 0.000 0.444 539 E N 0.839 120.915 120.200 -0.207 0.000 2.046 539 E HA -0.087 4.245 4.350 -0.029 0.000 0.190 539 E C 1.951 178.447 176.600 -0.174 0.000 0.982 539 E CA 0.716 57.054 56.400 -0.102 0.000 0.800 539 E CB -0.185 29.509 29.700 -0.010 0.000 0.756 539 E HN 0.115 nan 8.360 nan 0.000 0.449 540 L N 1.188 122.144 121.223 -0.445 0.000 2.010 540 L HA -0.309 4.013 4.340 -0.029 0.000 0.219 540 L C 1.994 178.745 176.870 -0.199 0.000 1.077 540 L CA 1.359 55.936 54.840 -0.437 0.000 0.773 540 L CB -0.620 41.102 42.059 -0.562 0.000 0.892 540 L HN 0.193 nan 8.230 nan 0.000 0.436 541 N N -0.105 118.483 118.700 -0.187 0.000 2.149 541 N HA -0.146 4.577 4.740 -0.029 0.000 0.188 541 N C 1.548 177.021 175.510 -0.062 0.000 1.019 541 N CA 1.553 54.536 53.050 -0.112 0.000 0.857 541 N CB -0.302 38.121 38.487 -0.107 0.000 0.997 541 N HN 0.376 nan 8.380 nan 0.000 0.426 542 A N -0.378 122.414 122.820 -0.047 0.000 2.302 542 A HA 0.237 4.539 4.320 -0.029 0.000 0.219 542 A C 0.231 177.824 177.584 0.015 0.000 1.243 542 A CA -0.052 51.979 52.037 -0.009 0.000 0.856 542 A CB 0.119 19.122 19.000 0.004 0.000 0.893 542 A HN 0.085 nan 8.150 nan 0.000 0.491 543 S N -0.187 115.522 115.700 0.015 0.000 2.521 543 S HA 0.350 4.802 4.470 -0.029 0.000 0.295 543 S C -0.346 174.267 174.600 0.023 0.000 1.098 543 S CA -0.709 57.520 58.200 0.049 0.000 0.999 543 S CB 1.708 64.999 63.200 0.151 0.000 1.034 543 S HN 0.342 nan 8.310 nan 0.000 0.483 544 D N 1.501 121.912 120.400 0.017 0.000 2.183 544 D HA 0.177 4.800 4.640 -0.029 0.000 0.205 544 D C 0.647 176.951 176.300 0.007 0.000 0.962 544 D CA 0.731 54.733 54.000 0.004 0.000 0.849 544 D CB 0.228 41.027 40.800 -0.003 0.000 0.978 544 D HN 0.578 nan 8.370 nan 0.000 0.488 545 A N -0.092 122.739 122.820 0.019 0.000 2.401 545 A HA 0.615 4.918 4.320 -0.029 0.000 0.310 545 A C -1.645 175.968 177.584 0.049 0.000 1.075 545 A CA -0.541 51.503 52.037 0.012 0.000 0.746 545 A CB 1.760 20.761 19.000 0.001 0.000 1.277 545 A HN 0.048 nan 8.150 nan 0.000 0.425 546 F N 1.706 121.549 119.950 -0.178 0.000 2.588 546 F HA 0.580 5.089 4.527 -0.029 0.000 0.318 546 F C -1.312 174.313 175.800 -0.292 0.000 1.155 546 F CA -0.415 57.451 58.000 -0.223 0.000 0.967 546 F CB 2.085 40.916 39.000 -0.282 0.000 1.236 546 F HN 0.402 nan 8.300 nan 0.000 0.455 547 V N 5.324 124.905 119.914 -0.556 0.000 2.483 547 V HA 0.662 4.764 4.120 -0.029 0.000 0.297 547 V C -0.224 175.600 176.094 -0.448 0.000 1.027 547 V CA -0.829 61.251 62.300 -0.367 0.000 0.855 547 V CB 1.504 33.243 31.823 -0.139 0.000 0.995 547 V HN 0.926 nan 8.190 nan 0.000 0.424 548 A N 3.722 126.317 122.820 -0.375 0.000 2.350 548 A HA 0.695 4.997 4.320 -0.029 0.000 0.293 548 A C 0.969 178.085 177.584 -0.780 0.000 1.231 548 A CA 0.399 52.091 52.037 -0.575 0.000 0.883 548 A CB 0.666 19.243 19.000 -0.705 0.000 1.133 548 A HN 1.305 nan 8.150 nan 0.000 0.533 549 A N 2.575 125.007 122.820 -0.646 0.000 2.324 549 A HA 0.488 4.790 4.320 -0.029 0.000 0.220 549 A C 0.610 178.093 177.584 -0.168 0.000 1.209 549 A CA 0.448 52.289 52.037 -0.327 0.000 0.918 549 A CB -0.675 18.224 19.000 -0.168 0.000 0.959 549 A HN 1.270 nan 8.150 nan 0.000 0.507 550 W N -1.642 119.695 121.300 0.062 0.000 2.140 550 W HA -0.285 4.358 4.660 -0.029 0.000 0.279 550 W C 0.014 176.493 176.519 -0.067 0.000 1.272 550 W CA 0.395 57.758 57.345 0.029 0.000 1.228 550 W CB -1.402 28.120 29.460 0.103 0.000 0.892 550 W HN 0.081 nan 8.180 nan 0.000 0.527 551 L N 2.628 124.001 121.223 0.249 0.000 2.356 551 L HA 0.260 4.582 4.340 -0.029 0.000 0.264 551 L C -1.420 175.505 176.870 0.092 0.000 1.029 551 L CA -1.670 53.207 54.840 0.061 0.000 0.897 551 L CB 1.036 43.084 42.059 -0.019 0.000 1.256 551 L HN 0.017 nan 8.230 nan 0.000 0.444 552 P HA 0.011 nan 4.420 nan 0.000 0.225 552 P C 0.907 178.204 177.300 -0.006 0.000 1.156 552 P CA 1.122 64.252 63.100 0.050 0.000 0.787 552 P CB 0.872 32.579 31.700 0.011 0.000 0.802 553 G N 0.629 109.394 108.800 -0.058 0.000 2.481 553 G HA2 -0.273 3.669 3.960 -0.029 0.000 0.230 553 G HA3 -0.273 3.669 3.960 -0.029 0.000 0.230 553 G C 1.037 175.831 174.900 -0.177 0.000 1.210 553 G CA 0.486 45.531 45.100 -0.092 0.000 0.936 553 G HN 0.287 nan 8.290 nan 0.000 0.583 554 S N -0.028 115.554 115.700 -0.197 0.000 2.428 554 S HA 0.125 4.577 4.470 -0.029 0.000 0.230 554 S C 0.801 175.295 174.600 -0.176 0.000 1.014 554 S CA 1.840 59.917 58.200 -0.206 0.000 0.957 554 S CB 0.123 63.204 63.200 -0.198 0.000 0.784 554 S HN 0.606 nan 8.310 nan 0.000 0.499 555 E N 1.950 122.052 120.200 -0.163 0.000 2.127 555 E HA 0.329 4.661 4.350 -0.029 0.000 0.262 555 E C 1.186 177.711 176.600 -0.124 0.000 1.144 555 E CA -0.028 56.288 56.400 -0.141 0.000 1.144 555 E CB 0.124 29.737 29.700 -0.146 0.000 1.297 555 E HN 0.485 nan 8.360 nan 0.000 0.469 556 G N 2.391 111.119 108.800 -0.120 0.000 2.469 556 G HA2 -0.350 3.592 3.960 -0.029 0.000 0.220 556 G HA3 -0.350 3.592 3.960 -0.029 0.000 0.220 556 G C 1.187 176.024 174.900 -0.105 0.000 1.136 556 G CA 0.711 45.748 45.100 -0.105 0.000 0.759 556 G HN 0.342 nan 8.290 nan 0.000 0.562 557 E N 0.482 120.616 120.200 -0.110 0.000 2.208 557 E HA -0.117 4.215 4.350 -0.029 0.000 0.202 557 E C 2.502 179.019 176.600 -0.140 0.000 1.014 557 E CA 1.103 57.433 56.400 -0.117 0.000 0.819 557 E CB -0.959 28.673 29.700 -0.113 0.000 0.735 557 E HN 0.383 nan 8.360 nan 0.000 0.469 558 G N 0.591 109.299 108.800 -0.153 0.000 2.448 558 G HA2 -0.222 3.720 3.960 -0.029 0.000 0.219 558 G HA3 -0.222 3.720 3.960 -0.029 0.000 0.219 558 G C 1.669 176.459 174.900 -0.183 0.000 1.127 558 G CA 0.853 45.836 45.100 -0.196 0.000 0.766 558 G HN 0.232 nan 8.290 nan 0.000 0.552 559 V N 1.489 121.325 119.914 -0.130 0.000 2.270 559 V HA -0.117 3.985 4.120 -0.029 0.000 0.245 559 V C 3.322 179.354 176.094 -0.102 0.000 1.043 559 V CA 2.016 64.252 62.300 -0.106 0.000 1.014 559 V CB -0.982 30.798 31.823 -0.073 0.000 0.645 559 V HN 0.448 nan 8.190 nan 0.000 0.447 560 A N -0.076 122.688 122.820 -0.093 0.000 1.940 560 A HA -0.292 4.011 4.320 -0.029 0.000 0.219 560 A C 1.937 179.484 177.584 -0.062 0.000 1.176 560 A CA 2.171 54.163 52.037 -0.075 0.000 0.631 560 A CB -0.739 18.209 19.000 -0.086 0.000 0.814 560 A HN 0.561 nan 8.150 nan 0.000 0.446 561 D N -0.356 119.983 120.400 -0.103 0.000 2.116 561 D HA -0.129 4.493 4.640 -0.029 0.000 0.193 561 D C 2.023 178.327 176.300 0.006 0.000 0.998 561 D CA 1.755 55.705 54.000 -0.084 0.000 0.836 561 D CB -0.358 40.231 40.800 -0.352 0.000 0.951 561 D HN 0.275 nan 8.370 nan 0.000 0.449 562 V N 0.520 120.359 119.914 -0.125 0.000 2.446 562 V HA -0.074 4.028 4.120 -0.029 0.000 0.244 562 V C 2.524 178.603 176.094 -0.026 0.000 1.039 562 V CA 0.712 62.908 62.300 -0.174 0.000 1.045 562 V CB -0.274 31.190 31.823 -0.597 0.000 0.681 562 V HN 0.193 nan 8.190 nan 0.000 0.459 563 L N -0.520 120.693 121.223 -0.016 0.000 2.217 563 L HA 0.012 4.335 4.340 -0.029 0.000 0.211 563 L C 0.673 177.582 176.870 0.064 0.000 1.107 563 L CA 0.750 55.646 54.840 0.093 0.000 0.783 563 L CB -0.127 41.965 42.059 0.055 0.000 0.919 563 L HN 0.270 nan 8.230 nan 0.000 0.442 564 L N -0.474 120.768 121.223 0.032 0.000 2.331 564 L HA 0.275 4.598 4.340 -0.029 0.000 0.275 564 L C 0.717 177.597 176.870 0.016 0.000 1.022 564 L CA -0.231 54.613 54.840 0.006 0.000 0.812 564 L CB 1.565 43.617 42.059 -0.011 0.000 1.257 564 L HN 0.025 nan 8.230 nan 0.000 0.435 565 T N -0.361 114.184 114.554 -0.016 0.000 2.788 565 T HA 0.317 4.649 4.350 -0.029 0.000 0.287 565 T C 0.368 175.065 174.700 -0.005 0.000 1.007 565 T CA -0.733 61.357 62.100 -0.018 0.000 1.005 565 T CB 0.241 69.083 68.868 -0.045 0.000 1.012 565 T HN 0.627 nan 8.240 nan 0.000 0.530 566 N N 0.317 119.011 118.700 -0.009 0.000 2.326 566 N HA 0.123 4.846 4.740 -0.029 0.000 0.239 566 N C 0.642 176.140 175.510 -0.019 0.000 1.301 566 N CA -0.644 52.399 53.050 -0.011 0.000 0.909 566 N CB 0.243 38.717 38.487 -0.021 0.000 1.156 566 N HN 0.707 nan 8.380 nan 0.000 0.462 567 K N -1.155 119.234 120.400 -0.018 0.000 2.362 567 K HA -0.147 4.155 4.320 -0.029 0.000 0.202 567 K C 0.950 177.536 176.600 -0.023 0.000 1.045 567 K CA 1.068 57.343 56.287 -0.021 0.000 0.936 567 K CB -0.069 32.419 32.500 -0.018 0.000 0.747 567 K HN 0.479 nan 8.250 nan 0.000 0.467 568 Q N -0.466 119.319 119.800 -0.025 0.000 2.403 568 Q HA 0.047 4.369 4.340 -0.029 0.000 0.203 568 Q C 0.929 176.911 176.000 -0.029 0.000 0.932 568 Q CA 0.644 56.431 55.803 -0.026 0.000 0.945 568 Q CB 0.789 29.511 28.738 -0.027 0.000 1.045 568 Q HN 0.525 nan 8.270 nan 0.000 0.511 569 G N 1.200 109.981 108.800 -0.032 0.000 2.155 569 G HA2 -0.306 3.637 3.960 -0.029 0.000 0.257 569 G HA3 -0.306 3.637 3.960 -0.029 0.000 0.257 569 G C 0.067 174.941 174.900 -0.044 0.000 0.983 569 G CA 0.566 45.643 45.100 -0.038 0.000 0.676 569 G HN 0.279 nan 8.290 nan 0.000 0.528 570 K N 0.305 120.680 120.400 -0.041 0.000 2.156 570 K HA 0.532 4.834 4.320 -0.029 0.000 0.250 570 K C 0.397 176.972 176.600 -0.041 0.000 0.955 570 K CA -0.529 55.732 56.287 -0.043 0.000 0.855 570 K CB 1.042 33.517 32.500 -0.040 0.000 1.101 570 K HN 0.049 nan 8.250 nan 0.000 0.434 571 T N 2.969 117.502 114.554 -0.035 0.000 2.822 571 T HA -0.080 4.252 4.350 -0.029 0.000 0.288 571 T C 1.298 175.980 174.700 -0.029 0.000 0.991 571 T CA 0.320 62.421 62.100 0.001 0.000 1.176 571 T CB 0.286 69.194 68.868 0.066 0.000 0.951 571 T HN 0.596 nan 8.240 nan 0.000 0.526 572 Q N 2.875 122.668 119.800 -0.013 0.000 2.178 572 Q HA 0.158 4.480 4.340 -0.029 0.000 0.195 572 Q C -0.195 175.581 176.000 -0.373 0.000 0.960 572 Q CA 0.643 56.361 55.803 -0.143 0.000 0.843 572 Q CB 0.254 28.995 28.738 0.005 0.000 0.927 572 Q HN 0.570 nan 8.270 nan 0.000 0.487 573 F N 1.069 121.019 119.950 0.001 0.000 2.551 573 F HA 0.414 4.924 4.527 -0.029 0.000 0.316 573 F C -0.330 175.435 175.800 -0.058 0.000 1.089 573 F CA -1.297 56.675 58.000 -0.047 0.000 0.915 573 F CB 2.001 40.938 39.000 -0.106 0.000 1.186 573 F HN -0.048 nan 8.300 nan 0.000 0.456 574 D N 1.365 121.789 120.400 0.040 0.000 2.277 574 D HA 0.311 4.934 4.640 -0.029 0.000 0.250 574 D C -0.674 175.466 176.300 -0.267 0.000 1.032 574 D CA -0.393 53.495 54.000 -0.187 0.000 0.947 574 D CB 1.084 41.834 40.800 -0.083 0.000 1.159 574 D HN 0.164 nan 8.370 nan 0.000 0.460 575 F N 0.290 119.995 119.950 -0.409 0.000 2.572 575 F HA 0.079 4.588 4.527 -0.029 0.000 0.370 575 F C 1.909 177.619 175.800 -0.150 0.000 1.103 575 F CA 0.473 58.326 58.000 -0.246 0.000 1.286 575 F CB 0.880 39.698 39.000 -0.304 0.000 1.105 575 F HN 0.308 nan 8.300 nan 0.000 0.583 576 T N -1.153 113.455 114.554 0.090 0.000 3.016 576 T HA 0.266 4.598 4.350 -0.029 0.000 0.271 576 T C 0.752 175.495 174.700 0.072 0.000 0.968 576 T CA 0.093 62.225 62.100 0.054 0.000 0.891 576 T CB -0.221 68.670 68.868 0.037 0.000 1.149 576 T HN 0.673 nan 8.240 nan 0.000 0.524 577 G N 2.482 111.361 108.800 0.132 0.000 2.378 577 G HA2 0.494 4.437 3.960 -0.029 0.000 0.255 577 G HA3 0.494 4.437 3.960 -0.029 0.000 0.255 577 G C -0.570 174.394 174.900 0.108 0.000 1.270 577 G CA -0.465 44.727 45.100 0.153 0.000 0.876 577 G HN 0.174 nan 8.290 nan 0.000 0.521 578 K N 2.366 122.807 120.400 0.068 0.000 2.206 578 K HA 0.300 4.602 4.320 -0.029 0.000 0.264 578 K C -0.132 176.510 176.600 0.070 0.000 0.967 578 K CA -1.413 54.889 56.287 0.026 0.000 0.844 578 K CB 2.216 34.683 32.500 -0.055 0.000 1.099 578 K HN 0.280 nan 8.250 nan 0.000 0.441 579 L N 2.533 123.857 121.223 0.168 0.000 2.747 579 L HA -0.161 4.162 4.340 -0.029 0.000 0.286 579 L C 1.072 177.917 176.870 -0.042 0.000 1.216 579 L CA 1.032 56.030 54.840 0.262 0.000 0.930 579 L CB -0.115 42.179 42.059 0.391 0.000 1.216 579 L HN 0.833 nan 8.230 nan 0.000 0.486 580 S N 2.580 118.289 115.700 0.015 0.000 2.557 580 S HA 0.350 4.803 4.470 -0.029 0.000 0.223 580 S C 0.063 174.677 174.600 0.023 0.000 0.969 580 S CA -0.424 57.709 58.200 -0.111 0.000 0.927 580 S CB -0.096 63.051 63.200 -0.087 0.000 0.806 580 S HN 0.294 nan 8.310 nan 0.000 0.489 581 F N 1.263 121.358 119.950 0.241 0.000 2.578 581 F HA 0.519 5.028 4.527 -0.030 0.000 0.311 581 F C 0.104 176.152 175.800 0.413 0.000 1.094 581 F CA -0.871 57.322 58.000 0.320 0.000 0.923 581 F CB 2.057 41.191 39.000 0.223 0.000 1.230 581 F HN -0.138 nan 8.300 nan 0.000 0.450 582 S N 1.979 118.025 115.700 0.576 0.000 2.549 582 S HA 0.043 4.495 4.470 -0.029 0.000 0.279 582 S C -0.954 173.913 174.600 0.445 0.000 1.321 582 S CA -0.471 58.039 58.200 0.516 0.000 1.054 582 S CB 0.561 64.062 63.200 0.501 0.000 0.899 582 S HN 0.491 nan 8.310 nan 0.000 0.497 583 W N 6.103 127.567 121.300 0.273 0.000 2.335 583 W HA 0.281 4.924 4.660 -0.029 0.000 0.307 583 W C -2.754 173.779 176.519 0.023 0.000 1.117 583 W CA -2.686 54.785 57.345 0.211 0.000 1.228 583 W CB 1.051 30.709 29.460 0.329 0.000 1.240 583 W HN 0.404 nan 8.180 nan 0.000 0.468 584 P HA 0.007 nan 4.420 nan 0.000 0.271 584 P C 0.222 177.578 177.300 0.094 0.000 1.216 584 P CA 0.323 63.447 63.100 0.040 0.000 0.771 584 P CB 1.449 33.161 31.700 0.020 0.000 0.864 585 K N 2.143 122.467 120.400 -0.126 0.000 2.284 585 K HA 0.018 4.320 4.320 -0.029 0.000 0.198 585 K C -0.141 176.286 176.600 -0.289 0.000 1.048 585 K CA 0.683 56.767 56.287 -0.338 0.000 0.987 585 K CB 0.157 32.229 32.500 -0.713 0.000 0.800 585 K HN 0.405 nan 8.250 nan 0.000 0.486 586 Y N 0.704 121.032 120.300 0.047 0.000 2.524 586 Y HA 0.106 4.638 4.550 -0.029 0.000 0.344 586 Y C 0.502 175.987 175.900 -0.692 0.000 1.012 586 Y CA -1.785 56.115 58.100 -0.333 0.000 1.068 586 Y CB 1.270 39.555 38.460 -0.292 0.000 1.249 586 Y HN 0.053 nan 8.280 nan 0.000 0.468 587 D N -0.759 118.966 120.400 -1.125 0.000 2.392 587 D HA -0.124 4.498 4.640 -0.029 0.000 0.228 587 D C 0.162 176.117 176.300 -0.574 0.000 1.003 587 D CA 0.828 54.286 54.000 -0.904 0.000 0.917 587 D CB -0.277 39.871 40.800 -1.086 0.000 0.890 587 D HN 0.666 nan 8.370 nan 0.000 0.532 588 D N -0.936 119.073 120.400 -0.652 0.000 2.620 588 D HA -0.007 4.615 4.640 -0.029 0.000 0.260 588 D C -0.023 175.641 176.300 -1.061 0.000 1.367 588 D CA -0.354 52.958 54.000 -1.148 0.000 0.805 588 D CB -0.930 39.486 40.800 -0.640 0.000 1.096 588 D HN 0.054 nan 8.370 nan 0.000 0.488 589 Q N 0.456 119.908 119.800 -0.579 0.000 3.181 589 Q HA 0.209 4.532 4.340 -0.029 0.000 0.293 589 Q C -0.047 175.836 176.000 -0.194 0.000 1.406 589 Q CA -0.314 55.323 55.803 -0.276 0.000 1.026 589 Q CB -0.056 28.639 28.738 -0.072 0.000 1.630 589 Q HN 0.196 nan 8.270 nan 0.000 0.553 590 F N -0.518 119.459 119.950 0.045 0.000 2.259 590 F HA -0.065 4.444 4.527 -0.029 0.000 0.298 590 F C 1.423 177.270 175.800 0.079 0.000 1.088 590 F CA 0.338 58.368 58.000 0.050 0.000 1.358 590 F CB 0.061 39.078 39.000 0.029 0.000 1.040 590 F HN 0.082 nan 8.300 nan 0.000 0.505 591 T N -0.227 114.474 114.554 0.245 0.000 2.893 591 T HA 0.575 4.908 4.350 -0.029 0.000 0.324 591 T C -0.902 173.898 174.700 0.167 0.000 1.082 591 T CA -0.517 61.699 62.100 0.193 0.000 0.983 591 T CB 1.226 70.193 68.868 0.165 0.000 1.005 591 T HN 0.023 nan 8.240 nan 0.000 0.475 592 L N 3.560 124.899 121.223 0.194 0.000 2.529 592 L HA 0.553 4.875 4.340 -0.029 0.000 0.258 592 L C -1.617 175.435 176.870 0.304 0.000 1.032 592 L CA -0.343 54.640 54.840 0.239 0.000 0.899 592 L CB 0.896 43.068 42.059 0.189 0.000 1.174 592 L HN 0.610 nan 8.230 nan 0.000 0.458 593 N N 3.553 122.402 118.700 0.248 0.000 2.238 593 N HA 0.400 5.123 4.740 -0.029 0.000 0.302 593 N C -0.913 174.444 175.510 -0.254 0.000 1.072 593 N CA -0.714 52.377 53.050 0.069 0.000 0.792 593 N CB 2.772 41.251 38.487 -0.012 0.000 1.425 593 N HN 0.478 nan 8.380 nan 0.000 0.478 594 L N 2.493 123.477 121.223 -0.398 0.000 2.613 594 L HA -0.156 4.166 4.340 -0.029 0.000 0.304 594 L C 0.790 177.316 176.870 -0.573 0.000 1.266 594 L CA 1.020 55.438 54.840 -0.703 0.000 0.868 594 L CB -0.224 41.437 42.059 -0.663 0.000 1.111 594 L HN 0.658 nan 8.230 nan 0.000 0.515 595 N N 0.675 119.036 118.700 -0.565 0.000 2.863 595 N HA -0.223 4.499 4.740 -0.029 0.000 0.245 595 N C -0.388 174.987 175.510 -0.225 0.000 1.001 595 N CA 1.262 54.123 53.050 -0.315 0.000 0.901 595 N CB -1.535 36.811 38.487 -0.235 0.000 1.124 595 N HN 0.721 nan 8.380 nan 0.000 0.582 596 D N 0.040 120.287 120.400 -0.256 0.000 2.423 596 D HA 0.315 4.937 4.640 -0.029 0.000 0.238 596 D C 1.414 177.714 176.300 -0.000 0.000 1.142 596 D CA 0.700 54.660 54.000 -0.067 0.000 0.884 596 D CB 0.681 41.512 40.800 0.053 0.000 1.199 596 D HN 0.300 nan 8.370 nan 0.000 0.438 597 A N 2.319 125.154 122.820 0.024 0.000 1.898 597 A HA -0.126 4.176 4.320 -0.029 0.000 0.216 597 A C 1.018 178.649 177.584 0.077 0.000 1.181 597 A CA 1.180 53.240 52.037 0.039 0.000 0.620 597 A CB 0.043 19.060 19.000 0.029 0.000 0.819 597 A HN 0.528 nan 8.150 nan 0.000 0.442 598 D N -1.272 119.186 120.400 0.098 0.000 2.472 598 D HA 0.294 4.917 4.640 -0.029 0.000 0.234 598 D C -1.756 174.659 176.300 0.191 0.000 1.088 598 D CA -0.345 53.724 54.000 0.117 0.000 0.882 598 D CB 0.149 40.998 40.800 0.080 0.000 1.037 598 D HN 0.350 nan 8.370 nan 0.000 0.520 599 Y N 3.006 123.328 120.300 0.036 0.000 2.464 599 Y HA 0.267 4.799 4.550 -0.029 0.000 0.326 599 Y C -0.725 175.201 175.900 0.044 0.000 0.969 599 Y CA -0.730 57.395 58.100 0.042 0.000 1.270 599 Y CB 1.041 39.525 38.460 0.040 0.000 1.103 599 Y HN 0.139 nan 8.280 nan 0.000 0.491 600 D N 8.375 128.661 120.400 -0.190 0.000 2.886 600 D HA 0.266 4.888 4.640 -0.029 0.000 0.355 600 D C -2.886 173.235 176.300 -0.297 0.000 1.274 600 D CA -2.038 51.846 54.000 -0.194 0.000 0.836 600 D CB 0.842 41.631 40.800 -0.019 0.000 1.109 600 D HN 0.241 nan 8.370 nan 0.000 0.488 601 P HA 0.081 nan 4.420 nan 0.000 0.278 601 P C 0.981 178.073 177.300 -0.346 0.000 1.258 601 P CA -0.688 62.197 63.100 -0.358 0.000 0.811 601 P CB 1.775 33.239 31.700 -0.393 0.000 1.063 602 L N 0.880 121.890 121.223 -0.355 0.000 2.056 602 L HA 0.123 4.446 4.340 -0.029 0.000 0.207 602 L C 0.220 176.521 176.870 -0.947 0.000 1.078 602 L CA 1.946 56.376 54.840 -0.683 0.000 0.749 602 L CB -0.670 40.925 42.059 -0.773 0.000 0.901 602 L HN 0.222 nan 8.230 nan 0.000 0.433 603 F N -0.296 119.545 119.950 -0.182 0.000 2.579 603 F HA 0.637 5.147 4.527 -0.029 0.000 0.325 603 F C 0.495 176.293 175.800 -0.005 0.000 1.162 603 F CA -1.026 56.767 58.000 -0.345 0.000 0.946 603 F CB 0.299 38.903 39.000 -0.661 0.000 1.211 603 F HN -0.066 nan 8.300 nan 0.000 0.447 604 A N 2.354 125.301 122.820 0.212 0.000 2.448 604 A HA 0.148 4.451 4.320 -0.029 0.000 0.239 604 A C -0.647 177.231 177.584 0.489 0.000 1.080 604 A CA -0.247 51.998 52.037 0.347 0.000 0.779 604 A CB -0.093 19.128 19.000 0.367 0.000 1.026 604 A HN 0.778 nan 8.150 nan 0.000 0.499 605 Y N 0.798 121.355 120.300 0.429 0.000 2.805 605 Y HA 0.277 4.809 4.550 -0.030 0.000 0.331 605 Y C 1.391 177.441 175.900 0.250 0.000 1.241 605 Y CA 1.482 59.762 58.100 0.300 0.000 1.546 605 Y CB 0.055 38.626 38.460 0.185 0.000 1.248 605 Y HN 1.505 nan 8.280 nan 0.000 0.559 606 G N 3.648 112.362 108.800 -0.144 0.000 2.179 606 G HA2 -0.342 3.601 3.960 -0.029 0.000 0.220 606 G HA3 -0.342 3.601 3.960 -0.029 0.000 0.220 606 G C -0.326 174.620 174.900 0.077 0.000 0.990 606 G CA -0.090 44.950 45.100 -0.100 0.000 0.646 606 G HN 0.861 nan 8.290 nan 0.000 0.517 607 Y N 1.371 121.707 120.300 0.060 0.000 2.425 607 Y HA 0.450 4.982 4.550 -0.030 0.000 0.331 607 Y C 0.624 176.514 175.900 -0.018 0.000 1.157 607 Y CA 0.942 59.071 58.100 0.049 0.000 1.372 607 Y CB 1.243 39.775 38.460 0.121 0.000 1.253 607 Y HN 0.747 nan 8.280 nan 0.000 0.536 608 G N 7.088 115.507 108.800 -0.636 0.000 2.193 608 G HA2 0.291 4.233 3.960 -0.029 0.000 0.305 608 G HA3 0.291 4.233 3.960 -0.029 0.000 0.305 608 G C -1.828 172.729 174.900 -0.572 0.000 1.427 608 G CA -0.932 43.865 45.100 -0.505 0.000 1.137 608 G HN 0.770 nan 8.290 nan 0.000 0.576 609 L N 1.815 122.654 121.223 -0.640 0.000 2.452 609 L HA 0.620 4.942 4.340 -0.029 0.000 0.267 609 L C 1.253 177.933 176.870 -0.316 0.000 1.188 609 L CA -0.293 54.279 54.840 -0.446 0.000 0.821 609 L CB 1.220 43.046 42.059 -0.388 0.000 1.102 609 L HN 0.699 nan 8.230 nan 0.000 0.470 610 T N -2.807 111.633 114.554 -0.190 0.000 2.926 610 T HA 0.329 4.661 4.350 -0.029 0.000 0.289 610 T C 0.741 175.442 174.700 0.000 0.000 1.054 610 T CA -0.633 61.391 62.100 -0.128 0.000 1.015 610 T CB 0.732 69.558 68.868 -0.070 0.000 1.167 610 T HN 0.418 nan 8.240 nan 0.000 0.526 611 Y N -0.028 120.316 120.300 0.074 0.000 2.574 611 Y HA -0.043 4.489 4.550 -0.029 0.000 0.294 611 Y C 2.568 178.476 175.900 0.013 0.000 1.142 611 Y CA -0.402 57.726 58.100 0.048 0.000 1.314 611 Y CB 0.059 38.561 38.460 0.069 0.000 0.991 611 Y HN 0.441 nan 8.280 nan 0.000 0.555 612 Q N 0.272 120.150 119.800 0.130 0.000 2.444 612 Q HA 0.003 4.325 4.340 -0.029 0.000 0.206 612 Q C -0.477 175.545 176.000 0.036 0.000 0.948 612 Q CA 0.647 56.489 55.803 0.066 0.000 0.946 612 Q CB -0.083 28.676 28.738 0.036 0.000 1.027 612 Q HN 0.432 nan 8.270 nan 0.000 0.513 613 D N 0.515 120.934 120.400 0.033 0.000 2.193 613 D HA 0.186 4.809 4.640 -0.029 0.000 0.249 613 D C -0.249 176.061 176.300 0.017 0.000 1.034 613 D CA -0.271 53.731 54.000 0.005 0.000 0.902 613 D CB 0.779 41.557 40.800 -0.037 0.000 1.182 613 D HN -0.014 nan 8.370 nan 0.000 0.436 614 N N 0.711 119.417 118.700 0.009 0.000 2.599 614 N HA 0.274 4.997 4.740 -0.029 0.000 0.309 614 N C -0.720 174.796 175.510 0.010 0.000 1.743 614 N CA -0.149 52.907 53.050 0.011 0.000 0.918 614 N CB 0.789 39.282 38.487 0.010 0.000 1.339 614 N HN 0.206 nan 8.380 nan 0.000 0.493 615 I N 0.320 120.895 120.570 0.008 0.000 2.339 615 I HA 0.302 4.454 4.170 -0.029 0.000 0.290 615 I C -0.365 175.763 176.117 0.019 0.000 0.994 615 I CA -0.876 60.435 61.300 0.018 0.000 1.191 615 I CB 1.093 39.110 38.000 0.029 0.000 1.343 615 I HN 0.108 nan 8.210 nan 0.000 0.458 616 N N 4.799 123.511 118.700 0.019 0.000 2.499 616 N HA 0.325 5.047 4.740 -0.029 0.000 0.281 616 N C -0.637 174.889 175.510 0.026 0.000 1.098 616 N CA -0.344 52.714 53.050 0.014 0.000 0.979 616 N CB 1.949 40.440 38.487 0.006 0.000 1.121 616 N HN 0.216 nan 8.380 nan 0.000 0.466 617 V N 4.547 124.475 119.914 0.022 0.000 2.498 617 V HA 0.325 4.427 4.120 -0.029 0.000 0.279 617 V C -1.585 174.504 176.094 -0.008 0.000 1.048 617 V CA -1.180 61.136 62.300 0.026 0.000 0.967 617 V CB 1.092 32.939 31.823 0.040 0.000 0.988 617 V HN 0.646 nan 8.190 nan 0.000 0.473 618 P HA 0.228 nan 4.420 nan 0.000 0.277 618 P C -0.383 176.888 177.300 -0.049 0.000 1.271 618 P CA -0.362 62.720 63.100 -0.030 0.000 0.795 618 P CB 0.672 32.355 31.700 -0.029 0.000 1.101 619 V N 1.080 120.968 119.914 -0.043 0.000 2.599 619 V HA -0.062 4.040 4.120 -0.029 0.000 0.300 619 V C 0.831 176.887 176.094 -0.062 0.000 1.034 619 V CA 0.489 62.759 62.300 -0.050 0.000 1.115 619 V CB -0.381 31.422 31.823 -0.032 0.000 0.934 619 V HN 0.311 nan 8.190 nan 0.000 0.485 620 L N 4.196 125.366 121.223 -0.088 0.000 2.344 620 L HA 0.425 4.748 4.340 -0.029 0.000 0.272 620 L C 0.540 177.379 176.870 -0.050 0.000 1.035 620 L CA 0.402 55.181 54.840 -0.102 0.000 0.807 620 L CB 1.677 43.627 42.059 -0.183 0.000 1.237 620 L HN 0.721 nan 8.230 nan 0.000 0.442 621 S N 0.929 116.627 115.700 -0.002 0.000 2.549 621 S HA 0.098 4.550 4.470 -0.029 0.000 0.286 621 S C 0.596 175.288 174.600 0.154 0.000 1.314 621 S CA -0.005 58.244 58.200 0.082 0.000 1.062 621 S CB 0.144 63.427 63.200 0.138 0.000 0.865 621 S HN 0.641 nan 8.310 nan 0.000 0.498 622 E N 2.476 122.780 120.200 0.173 0.000 2.558 622 E HA 0.113 4.446 4.350 -0.029 0.000 0.205 622 E C -0.344 176.488 176.600 0.386 0.000 1.006 622 E CA -0.228 56.327 56.400 0.258 0.000 0.961 622 E CB 0.438 30.201 29.700 0.106 0.000 1.044 622 E HN 0.499 nan 8.360 nan 0.000 0.465 623 K N 2.860 123.438 120.400 0.297 0.000 2.378 623 K HA 0.038 4.340 4.320 -0.029 0.000 0.288 623 K C 0.112 176.777 176.600 0.109 0.000 1.057 623 K CA 0.013 56.407 56.287 0.178 0.000 0.971 623 K CB 0.481 33.047 32.500 0.111 0.000 0.975 623 K HN -0.013 nan 8.250 nan 0.000 0.475 624 T N 0.789 115.367 114.554 0.040 0.000 2.910 624 T HA 0.180 4.512 4.350 -0.029 0.000 0.293 624 T C 0.268 174.879 174.700 -0.149 0.000 1.015 624 T CA -0.884 61.121 62.100 -0.159 0.000 1.094 624 T CB 1.274 70.123 68.868 -0.032 0.000 0.968 624 T HN 0.502 nan 8.240 nan 0.000 0.521 625 S N 3.081 118.641 115.700 -0.233 0.000 2.562 625 S HA 0.589 5.041 4.470 -0.029 0.000 0.275 625 S C -1.781 172.755 174.600 -0.108 0.000 1.281 625 S CA -1.064 57.030 58.200 -0.178 0.000 1.045 625 S CB -0.114 62.946 63.200 -0.234 0.000 0.962 625 S HN 0.864 nan 8.310 nan 0.000 0.503 635 H N 1.954 121.123 119.070 0.165 0.000 2.685 635 H HA 0.651 5.190 4.556 -0.029 0.000 0.307 635 H C -2.901 172.435 175.328 0.013 0.000 1.017 635 H CA -1.619 54.501 56.048 0.121 0.000 1.237 635 H CB 1.443 31.347 29.762 0.238 0.000 1.409 635 H HN 0.449 nan 8.280 nan 0.000 0.488 636 P HA 0.039 nan 4.420 nan 0.000 0.276 636 P C 0.085 177.240 177.300 -0.242 0.000 1.235 636 P CA -0.012 62.963 63.100 -0.209 0.000 0.772 636 P CB 1.433 33.012 31.700 -0.202 0.000 0.871 637 L N 2.024 123.182 121.223 -0.109 0.000 2.433 637 L HA 0.317 4.640 4.340 -0.029 0.000 0.200 637 L C 0.614 177.449 176.870 -0.057 0.000 1.059 637 L CA 0.595 55.375 54.840 -0.099 0.000 0.835 637 L CB 0.052 42.065 42.059 -0.077 0.000 1.076 637 L HN 0.260 nan 8.230 nan 0.000 0.481 638 F N 1.218 121.078 119.950 -0.149 0.000 2.810 638 F HA 0.502 5.011 4.527 -0.030 0.000 0.373 638 F C -1.234 174.546 175.800 -0.034 0.000 1.174 638 F CA -0.732 57.206 58.000 -0.104 0.000 1.141 638 F CB 1.008 39.953 39.000 -0.092 0.000 1.420 638 F HN -0.399 nan 8.300 nan 0.000 0.518 639 V N 7.501 127.128 119.914 -0.479 0.000 2.304 639 V HA 0.434 4.536 4.120 -0.029 0.000 0.278 639 V C 0.569 176.318 176.094 -0.575 0.000 1.018 639 V CA -0.391 61.639 62.300 -0.450 0.000 0.814 639 V CB 0.961 32.638 31.823 -0.242 0.000 1.021 639 V HN 0.878 nan 8.190 nan 0.000 0.440 640 R N 2.006 122.075 120.500 -0.718 0.000 3.928 640 R HA -0.193 4.129 4.340 -0.029 0.000 0.417 640 R C 0.548 176.519 176.300 -0.549 0.000 0.647 640 R CA 1.480 57.255 56.100 -0.542 0.000 1.610 640 R CB -1.368 28.688 30.300 -0.407 0.000 2.164 640 R HN 0.890 nan 8.270 nan 0.000 0.406 641 S N -0.737 114.573 115.700 -0.648 0.000 2.611 641 S HA 0.551 5.004 4.470 -0.029 0.000 0.268 641 S C -0.423 174.092 174.600 -0.143 0.000 1.156 641 S CA -1.208 56.833 58.200 -0.265 0.000 0.817 641 S CB 1.579 64.746 63.200 -0.055 0.000 1.122 641 S HN 0.152 nan 8.310 nan 0.000 0.466 642 L N 1.872 123.227 121.223 0.221 0.000 2.601 642 L HA 0.372 4.694 4.340 -0.029 0.000 0.277 642 L C 1.148 178.000 176.870 -0.030 0.000 1.219 642 L CA 0.142 55.054 54.840 0.121 0.000 0.915 642 L CB -0.055 42.024 42.059 0.033 0.000 1.160 642 L HN 0.955 nan 8.230 nan 0.000 0.494 643 A N 4.414 127.186 122.820 -0.081 0.000 2.366 643 A HA 0.222 4.525 4.320 -0.029 0.000 0.249 643 A C 0.272 177.811 177.584 -0.075 0.000 1.084 643 A CA -0.455 51.519 52.037 -0.104 0.000 0.794 643 A CB 0.266 19.177 19.000 -0.149 0.000 1.034 643 A HN 0.698 nan 8.150 nan 0.000 0.491 644 K N 0.392 120.762 120.400 -0.050 0.000 2.559 644 K HA -0.033 4.270 4.320 -0.029 0.000 0.279 644 K C 0.958 177.558 176.600 0.000 0.000 0.967 644 K CA 1.493 57.770 56.287 -0.016 0.000 1.000 644 K CB -0.003 32.498 32.500 0.002 0.000 0.890 644 K HN 0.871 nan 8.250 nan 0.000 0.501 645 N N 0.379 119.088 118.700 0.015 0.000 2.965 645 N HA -0.163 4.559 4.740 -0.029 0.000 0.232 645 N C -1.275 174.224 175.510 -0.018 0.000 0.913 645 N CA 1.541 54.619 53.050 0.047 0.000 0.981 645 N CB -0.495 38.074 38.487 0.136 0.000 1.077 645 N HN 0.409 nan 8.380 nan 0.000 0.589 646 M N 0.101 119.643 119.600 -0.096 0.000 2.508 646 M HA 0.572 5.034 4.480 -0.029 0.000 0.327 646 M C 0.425 176.607 176.300 -0.196 0.000 1.160 646 M CA -0.355 54.816 55.300 -0.215 0.000 0.980 646 M CB 1.319 33.740 32.600 -0.300 0.000 1.693 646 M HN 0.128 nan 8.290 nan 0.000 0.452 647 T N 0.887 115.291 114.554 -0.250 0.000 2.894 647 T HA 0.609 4.941 4.350 -0.029 0.000 0.309 647 T C -1.968 172.589 174.700 -0.238 0.000 1.208 647 T CA -0.431 61.562 62.100 -0.178 0.000 1.016 647 T CB 0.945 69.788 68.868 -0.042 0.000 1.192 647 T HN 0.580 nan 8.240 nan 0.000 0.491 648 W N 2.147 123.435 121.300 -0.019 0.000 2.251 648 W HA 0.592 5.234 4.660 -0.030 0.000 0.329 648 W C 0.623 177.129 176.519 -0.021 0.000 1.234 648 W CA -0.536 56.794 57.345 -0.026 0.000 1.228 648 W CB 0.819 30.281 29.460 0.004 0.000 1.135 648 W HN 0.474 nan 8.180 nan 0.000 0.576 649 Q N 2.149 122.105 119.800 0.261 0.000 2.337 649 Q HA 0.469 4.791 4.340 -0.029 0.000 0.270 649 Q C -1.490 174.560 176.000 0.084 0.000 1.043 649 Q CA -1.053 54.831 55.803 0.134 0.000 0.794 649 Q CB 1.920 30.711 28.738 0.087 0.000 1.281 649 Q HN 0.283 nan 8.270 nan 0.000 0.446 650 L N 1.964 123.210 121.223 0.037 0.000 2.343 650 L HA 0.700 5.023 4.340 -0.029 0.000 0.278 650 L C -0.785 176.074 176.870 -0.018 0.000 0.996 650 L CA -0.264 54.558 54.840 -0.029 0.000 0.831 650 L CB 1.892 43.913 42.059 -0.064 0.000 1.232 650 L HN 0.607 nan 8.230 nan 0.000 0.413 651 A N 2.588 125.401 122.820 -0.012 0.000 2.310 651 A HA 0.691 4.993 4.320 -0.029 0.000 0.304 651 A C -0.660 176.929 177.584 0.008 0.000 1.231 651 A CA -0.696 51.345 52.037 0.008 0.000 0.799 651 A CB 0.340 19.358 19.000 0.029 0.000 1.162 651 A HN 0.668 nan 8.150 nan 0.000 0.486 652 D N 1.424 121.823 120.400 -0.001 0.000 2.466 652 D HA 0.265 4.887 4.640 -0.029 0.000 0.262 652 D C 0.800 177.109 176.300 0.015 0.000 1.177 652 D CA 0.277 54.280 54.000 0.006 0.000 1.035 652 D CB 0.611 41.406 40.800 -0.009 0.000 1.105 652 D HN 0.333 nan 8.370 nan 0.000 0.551 653 T N -4.002 110.562 114.554 0.017 0.000 3.107 653 T HA 0.078 4.410 4.350 -0.029 0.000 0.249 653 T C 1.152 175.858 174.700 0.011 0.000 1.096 653 T CA 0.290 62.400 62.100 0.017 0.000 1.012 653 T CB -0.389 68.490 68.868 0.019 0.000 0.977 653 T HN 0.432 nan 8.240 nan 0.000 0.527 654 S N 0.108 115.812 115.700 0.007 0.000 2.666 654 S HA 0.331 4.784 4.470 -0.029 0.000 0.239 654 S C 0.429 175.031 174.600 0.003 0.000 1.031 654 S CA -0.178 58.024 58.200 0.004 0.000 1.015 654 S CB 0.302 63.503 63.200 0.002 0.000 0.981 654 S HN 0.590 nan 8.310 nan 0.000 0.547 655 T N -0.425 114.130 114.554 0.003 0.000 2.792 655 T HA 0.564 4.896 4.350 -0.029 0.000 0.303 655 T C -1.361 173.342 174.700 0.004 0.000 1.310 655 T CA -1.019 61.082 62.100 0.002 0.000 1.007 655 T CB 1.056 69.922 68.868 -0.002 0.000 1.335 655 T HN 0.075 nan 8.240 nan 0.000 0.504 656 Q N 0.964 120.767 119.800 0.005 0.000 2.479 656 Q HA 0.303 4.626 4.340 -0.029 0.000 0.267 656 Q C 0.089 176.095 176.000 0.010 0.000 1.071 656 Q CA 0.025 55.834 55.803 0.009 0.000 0.935 656 Q CB 0.261 29.005 28.738 0.009 0.000 1.295 656 Q HN 0.423 nan 8.270 nan 0.000 0.476 657 K N 0.085 120.494 120.400 0.015 0.000 2.494 657 K HA 0.127 4.429 4.320 -0.029 0.000 0.273 657 K C -0.793 175.818 176.600 0.018 0.000 0.970 657 K CA 0.030 56.328 56.287 0.019 0.000 0.963 657 K CB 0.368 32.883 32.500 0.027 0.000 0.913 657 K HN 0.249 nan 8.250 nan 0.000 0.502 658 V N 3.788 123.715 119.914 0.021 0.000 2.407 658 V HA 0.160 4.262 4.120 -0.029 0.000 0.291 658 V C -0.641 175.480 176.094 0.046 0.000 1.018 658 V CA -0.907 61.408 62.300 0.024 0.000 0.842 658 V CB 1.261 33.089 31.823 0.010 0.000 0.996 658 V HN 0.470 nan 8.190 nan 0.000 0.426 659 L N 4.882 126.134 121.223 0.047 0.000 2.278 659 L HA 0.684 5.006 4.340 -0.029 0.000 0.287 659 L C 0.524 177.441 176.870 0.078 0.000 1.072 659 L CA 0.433 55.312 54.840 0.064 0.000 0.819 659 L CB 1.084 43.171 42.059 0.047 0.000 1.176 659 L HN 0.798 nan 8.230 nan 0.000 0.435 660 A N 2.073 124.970 122.820 0.129 0.000 2.330 660 A HA 0.613 4.916 4.320 -0.029 0.000 0.313 660 A C 0.438 178.147 177.584 0.208 0.000 1.124 660 A CA -0.106 52.018 52.037 0.145 0.000 0.774 660 A CB 1.117 20.200 19.000 0.138 0.000 1.198 660 A HN 0.712 nan 8.150 nan 0.000 0.465 661 S N 1.575 117.364 115.700 0.148 0.000 2.559 661 S HA 0.391 4.844 4.470 -0.029 0.000 0.226 661 S C 0.934 175.637 174.600 0.171 0.000 1.000 661 S CA 0.376 58.665 58.200 0.149 0.000 0.948 661 S CB 0.151 63.399 63.200 0.079 0.000 0.870 661 S HN 1.136 nan 8.310 nan 0.000 0.497 662 G N 0.873 109.761 108.800 0.146 0.000 2.782 662 G HA2 0.648 4.590 3.960 -0.029 0.000 0.201 662 G HA3 0.648 4.590 3.960 -0.029 0.000 0.201 662 G C 0.878 175.844 174.900 0.109 0.000 1.374 662 G CA -0.187 44.977 45.100 0.107 0.000 1.039 662 G HN 0.381 nan 8.290 nan 0.000 0.576 663 A N -1.139 121.704 122.820 0.037 0.000 1.984 663 A HA 0.458 4.760 4.320 -0.029 0.000 0.214 663 A C 1.388 178.917 177.584 -0.092 0.000 1.173 663 A CA 1.594 53.633 52.037 0.003 0.000 0.673 663 A CB -0.404 18.597 19.000 0.003 0.000 0.830 663 A HN 1.373 nan 8.150 nan 0.000 0.453 664 S N -2.375 113.266 115.700 -0.098 0.000 2.599 664 S HA 0.871 5.324 4.470 -0.029 0.000 0.287 664 S C -0.560 173.975 174.600 -0.107 0.000 1.105 664 S CA -0.018 58.098 58.200 -0.140 0.000 0.899 664 S CB 1.821 64.940 63.200 -0.136 0.000 1.100 664 S HN 1.718 nan 8.310 nan 0.000 0.482 665 A N 0.846 123.592 122.820 -0.124 0.000 2.544 665 A HA 0.834 5.137 4.320 -0.029 0.000 0.291 665 A C -0.334 177.191 177.584 -0.099 0.000 1.055 665 A CA -0.323 51.664 52.037 -0.084 0.000 0.651 665 A CB 0.618 19.590 19.000 -0.047 0.000 1.296 665 A HN 1.861 nan 8.150 nan 0.000 0.431 666 T N -1.280 113.229 114.554 -0.075 0.000 2.910 666 T HA 0.798 5.131 4.350 -0.029 0.000 0.287 666 T C 0.675 175.332 174.700 -0.072 0.000 1.050 666 T CA 0.214 62.265 62.100 -0.082 0.000 1.011 666 T CB 1.106 69.936 68.868 -0.065 0.000 1.195 666 T HN 2.067 nan 8.240 nan 0.000 0.540 667 S N -0.067 115.583 115.700 -0.083 0.000 2.625 667 S HA 0.422 4.875 4.470 -0.029 0.000 0.258 667 S C 1.827 176.404 174.600 -0.039 0.000 1.256 667 S CA -0.150 58.013 58.200 -0.062 0.000 0.983 667 S CB -0.547 62.609 63.200 -0.074 0.000 1.032 667 S HN 1.225 nan 8.310 nan 0.000 0.572 668 G N 0.447 109.231 108.800 -0.026 0.000 2.443 668 G HA2 -0.127 3.816 3.960 -0.029 0.000 0.219 668 G HA3 -0.127 3.816 3.960 -0.029 0.000 0.219 668 G C 0.740 175.629 174.900 -0.018 0.000 1.131 668 G CA 0.903 45.993 45.100 -0.017 0.000 0.775 668 G HN 0.897 nan 8.290 nan 0.000 0.547 669 D N -0.681 119.707 120.400 -0.020 0.000 2.339 669 D HA 0.074 4.697 4.640 -0.029 0.000 0.217 669 D C 1.170 177.457 176.300 -0.023 0.000 1.050 669 D CA -0.097 53.892 54.000 -0.018 0.000 0.856 669 D CB 0.098 40.890 40.800 -0.013 0.000 0.922 669 D HN 0.128 nan 8.370 nan 0.000 0.518 670 K N -0.996 119.386 120.400 -0.030 0.000 3.472 670 K HA -0.273 4.030 4.320 -0.029 0.000 0.315 670 K C 0.786 177.364 176.600 -0.036 0.000 1.320 670 K CA 1.222 57.488 56.287 -0.035 0.000 0.962 670 K CB -2.018 30.465 32.500 -0.029 0.000 1.251 670 K HN 0.458 nan 8.250 nan 0.000 0.443 671 Q N -1.549 118.230 119.800 -0.035 0.000 2.445 671 Q HA 0.205 4.528 4.340 -0.029 0.000 0.257 671 Q C 1.498 177.477 176.000 -0.034 0.000 0.806 671 Q CA 0.404 56.190 55.803 -0.029 0.000 0.987 671 Q CB 0.560 29.288 28.738 -0.016 0.000 1.248 671 Q HN 0.191 nan 8.270 nan 0.000 0.542 672 S N 0.581 116.258 115.700 -0.038 0.000 2.371 672 S HA 0.003 4.456 4.470 -0.029 0.000 0.224 672 S C 0.227 174.774 174.600 -0.088 0.000 1.029 672 S CA 0.743 58.924 58.200 -0.032 0.000 0.978 672 S CB 0.156 63.347 63.200 -0.015 0.000 0.833 672 S HN 0.136 nan 8.310 nan 0.000 0.466 673 L N 1.395 122.523 121.223 -0.159 0.000 2.406 673 L HA 0.562 4.884 4.340 -0.029 0.000 0.272 673 L C -1.700 175.026 176.870 -0.239 0.000 0.980 673 L CA -0.366 54.282 54.840 -0.321 0.000 0.831 673 L CB 1.334 43.116 42.059 -0.462 0.000 1.253 673 L HN 0.045 nan 8.230 nan 0.000 0.406 674 L N 5.246 126.327 121.223 -0.237 0.000 2.365 674 L HA 0.642 4.965 4.340 -0.029 0.000 0.273 674 L C -0.439 176.297 176.870 -0.224 0.000 1.000 674 L CA -0.516 54.217 54.840 -0.178 0.000 0.819 674 L CB 1.967 43.952 42.059 -0.123 0.000 1.284 674 L HN 0.680 nan 8.230 nan 0.000 0.418 675 M N 2.938 122.381 119.600 -0.261 0.000 2.311 675 M HA 0.452 4.915 4.480 -0.029 0.000 0.325 675 M C -1.287 174.770 176.300 -0.405 0.000 1.061 675 M CA -0.321 54.677 55.300 -0.503 0.000 0.957 675 M CB 1.797 34.093 32.600 -0.507 0.000 1.646 675 M HN 0.556 nan 8.290 nan 0.000 0.434 676 Q N 1.549 121.074 119.800 -0.459 0.000 2.528 676 Q HA 0.492 4.815 4.340 -0.029 0.000 0.289 676 Q C -0.857 175.003 176.000 -0.234 0.000 1.091 676 Q CA -0.418 55.235 55.803 -0.249 0.000 0.797 676 Q CB 2.486 31.156 28.738 -0.114 0.000 1.466 676 Q HN 0.885 nan 8.270 nan 0.000 0.436 677 S N -0.362 115.310 115.700 -0.046 0.000 2.584 677 S HA 0.616 5.068 4.470 -0.029 0.000 0.273 677 S C 0.244 174.869 174.600 0.042 0.000 1.311 677 S CA -0.487 57.728 58.200 0.024 0.000 1.034 677 S CB 0.638 63.923 63.200 0.142 0.000 0.939 677 S HN 0.454 nan 8.310 nan 0.000 0.513 678 V N -0.100 119.843 119.914 0.047 0.000 3.074 678 V HA 0.679 4.781 4.120 -0.029 0.000 0.314 678 V C -1.124 175.004 176.094 0.057 0.000 1.117 678 V CA -1.263 61.077 62.300 0.067 0.000 1.014 678 V CB 1.946 33.863 31.823 0.157 0.000 1.057 678 V HN 0.899 nan 8.190 nan 0.000 0.438 679 N N 2.052 120.764 118.700 0.020 0.000 2.476 679 N HA 0.448 5.171 4.740 -0.029 0.000 0.257 679 N C 0.079 175.575 175.510 -0.023 0.000 0.970 679 N CA -0.378 52.651 53.050 -0.034 0.000 0.938 679 N CB 2.283 40.705 38.487 -0.108 0.000 1.144 679 N HN 0.838 nan 8.380 nan 0.000 0.500 680 L N 1.737 122.897 121.223 -0.104 0.000 2.265 680 L HA 0.269 4.591 4.340 -0.029 0.000 0.195 680 L C 1.378 178.102 176.870 -0.243 0.000 1.083 680 L CA 1.628 56.297 54.840 -0.284 0.000 0.798 680 L CB -0.097 41.608 42.059 -0.591 0.000 0.989 680 L HN 0.374 nan 8.230 nan 0.000 0.472 681 S N -2.650 112.937 115.700 -0.188 0.000 3.148 681 S HA 0.291 4.744 4.470 -0.029 0.000 0.246 681 S C 0.006 174.454 174.600 -0.253 0.000 1.041 681 S CA -0.313 57.747 58.200 -0.233 0.000 0.813 681 S CB -0.091 62.944 63.200 -0.275 0.000 0.813 681 S HN 0.213 nan 8.310 nan 0.000 0.546 682 Y N 2.278 122.494 120.300 -0.140 0.000 2.289 682 Y HA 0.405 4.937 4.550 -0.030 0.000 0.332 682 Y C 0.789 176.583 175.900 -0.176 0.000 1.324 682 Y CA -0.560 57.458 58.100 -0.136 0.000 1.478 682 Y CB 0.354 38.734 38.460 -0.134 0.000 1.378 682 Y HN 0.073 nan 8.280 nan 0.000 0.558 683 Q N 1.447 121.198 119.800 -0.083 0.000 2.293 683 Q HA 0.069 4.391 4.340 -0.029 0.000 0.263 683 Q C -0.291 175.632 176.000 -0.129 0.000 1.002 683 Q CA 0.065 55.712 55.803 -0.260 0.000 0.910 683 Q CB 0.592 28.933 28.738 -0.662 0.000 1.185 683 Q HN 0.720 nan 8.270 nan 0.000 0.401 684 E N 0.903 121.055 120.200 -0.080 0.000 2.637 684 E HA -0.210 4.122 4.350 -0.029 0.000 0.265 684 E C -0.418 176.221 176.600 0.064 0.000 1.073 684 E CA 0.762 57.172 56.400 0.017 0.000 0.778 684 E CB -0.743 28.982 29.700 0.042 0.000 1.362 684 E HN 0.686 nan 8.360 nan 0.000 0.413 685 D N -0.462 119.963 120.400 0.041 0.000 2.328 685 D HA 0.142 4.764 4.640 -0.029 0.000 0.221 685 D C 0.819 177.214 176.300 0.159 0.000 1.072 685 D CA 0.743 54.756 54.000 0.021 0.000 0.850 685 D CB 0.354 41.137 40.800 -0.029 0.000 0.922 685 D HN 0.274 nan 8.370 nan 0.000 0.516 686 G N -0.661 108.287 108.800 0.246 0.000 2.680 686 G HA2 0.617 4.560 3.960 -0.029 0.000 0.290 686 G HA3 0.617 4.560 3.960 -0.029 0.000 0.290 686 G C -1.004 174.047 174.900 0.252 0.000 1.355 686 G CA -1.010 44.313 45.100 0.371 0.000 0.903 686 G HN -0.091 nan 8.290 nan 0.000 0.474 687 R N -0.239 120.333 120.500 0.120 0.000 2.439 687 R HA 0.550 4.873 4.340 -0.029 0.000 0.310 687 R C 0.118 176.128 176.300 -0.483 0.000 0.955 687 R CA -0.676 55.221 56.100 -0.337 0.000 0.853 687 R CB 1.564 31.418 30.300 -0.743 0.000 1.171 687 R HN 0.708 nan 8.270 nan 0.000 0.449 688 G N 1.979 110.447 108.800 -0.553 0.000 2.400 688 G HA2 0.641 4.584 3.960 -0.029 0.000 0.301 688 G HA3 0.641 4.584 3.960 -0.029 0.000 0.301 688 G C -1.027 173.362 174.900 -0.850 0.000 1.154 688 G CA -0.213 44.628 45.100 -0.431 0.000 0.852 688 G HN 0.321 nan 8.290 nan 0.000 0.511 689 F N 0.415 120.305 119.950 -0.101 0.000 2.561 689 F HA 0.389 4.898 4.527 -0.029 0.000 0.313 689 F C -0.150 175.600 175.800 -0.083 0.000 1.126 689 F CA -1.087 56.779 58.000 -0.224 0.000 0.918 689 F CB 2.484 41.272 39.000 -0.353 0.000 1.199 689 F HN 0.206 nan 8.300 nan 0.000 0.444 690 N N 2.969 121.658 118.700 -0.018 0.000 2.483 690 N HA 0.172 4.894 4.740 -0.029 0.000 0.267 690 N C -1.316 174.205 175.510 0.018 0.000 0.998 690 N CA -0.370 52.726 53.050 0.077 0.000 0.918 690 N CB 1.663 40.158 38.487 0.014 0.000 1.215 690 N HN 0.560 nan 8.380 nan 0.000 0.500 691 W N 1.590 122.879 121.300 -0.018 0.000 2.316 691 W HA 0.282 4.924 4.660 -0.029 0.000 0.311 691 W C 1.047 177.541 176.519 -0.042 0.000 1.217 691 W CA -0.474 56.849 57.345 -0.037 0.000 1.199 691 W CB 1.516 30.933 29.460 -0.071 0.000 1.202 691 W HN 0.399 nan 8.180 nan 0.000 0.528 692 R N 1.719 122.309 120.500 0.150 0.000 2.521 692 R HA 0.399 4.721 4.340 -0.029 0.000 0.289 692 R C 0.016 176.356 176.300 0.066 0.000 0.936 692 R CA 0.014 56.163 56.100 0.082 0.000 1.089 692 R CB 1.188 31.512 30.300 0.039 0.000 1.348 692 R HN 0.338 nan 8.270 nan 0.000 0.536 693 A N 0.488 123.362 122.820 0.090 0.000 2.586 693 A HA 0.322 4.625 4.320 -0.029 0.000 0.290 693 A C -1.470 176.178 177.584 0.107 0.000 1.086 693 A CA -0.782 51.295 52.037 0.068 0.000 0.665 693 A CB 1.074 20.097 19.000 0.038 0.000 1.279 693 A HN 0.028 nan 8.150 nan 0.000 0.423 694 Q N 0.119 119.964 119.800 0.075 0.000 2.549 694 Q HA 0.361 4.683 4.340 -0.029 0.000 0.347 694 Q C -0.194 175.881 176.000 0.124 0.000 1.081 694 Q CA 1.829 57.684 55.803 0.087 0.000 1.093 694 Q CB -0.015 28.751 28.738 0.046 0.000 1.067 694 Q HN 2.066 nan 8.270 nan 0.000 0.398 695 A N 2.994 125.940 122.820 0.210 0.000 2.583 695 A HA 0.728 5.031 4.320 -0.029 0.000 0.298 695 A C -1.666 176.121 177.584 0.338 0.000 1.055 695 A CA -0.195 51.966 52.037 0.207 0.000 0.714 695 A CB 0.860 19.918 19.000 0.096 0.000 1.277 695 A HN 0.922 nan 8.150 nan 0.000 0.406 696 A N 1.365 124.303 122.820 0.197 0.000 2.287 696 A HA 0.689 4.992 4.320 -0.029 0.000 0.317 696 A C -0.599 177.071 177.584 0.143 0.000 1.220 696 A CA -0.408 51.757 52.037 0.213 0.000 0.835 696 A CB 0.554 19.627 19.000 0.122 0.000 1.180 696 A HN 2.041 nan 8.150 nan 0.000 0.500 697 L N 3.185 124.529 121.223 0.201 0.000 2.322 697 L HA 0.825 5.147 4.340 -0.029 0.000 0.279 697 L C -0.078 176.845 176.870 0.089 0.000 1.036 697 L CA 0.327 55.179 54.840 0.021 0.000 0.807 697 L CB 1.795 43.712 42.059 -0.237 0.000 1.226 697 L HN 0.674 nan 8.230 nan 0.000 0.433 698 S N 4.399 120.161 115.700 0.104 0.000 2.546 698 S HA 0.668 5.121 4.470 -0.029 0.000 0.274 698 S C -1.136 173.558 174.600 0.158 0.000 1.121 698 S CA -0.791 57.484 58.200 0.125 0.000 0.887 698 S CB 1.564 64.816 63.200 0.088 0.000 1.094 698 S HN 0.748 nan 8.310 nan 0.000 0.474 699 L N 2.426 123.677 121.223 0.048 0.000 2.283 699 L HA 0.682 5.005 4.340 -0.029 0.000 0.281 699 L C -0.730 176.018 176.870 -0.203 0.000 1.033 699 L CA 0.278 54.997 54.840 -0.201 0.000 0.848 699 L CB 0.622 42.484 42.059 -0.329 0.000 1.226 699 L HN 0.832 nan 8.230 nan 0.000 0.429 700 S N 3.158 118.738 115.700 -0.200 0.000 2.607 700 S HA 0.593 5.045 4.470 -0.029 0.000 0.303 700 S C -1.024 173.465 174.600 -0.184 0.000 1.086 700 S CA -0.420 57.721 58.200 -0.098 0.000 0.995 700 S CB 1.118 64.320 63.200 0.002 0.000 1.084 700 S HN 0.370 nan 8.310 nan 0.000 0.507 701 Y N 1.208 121.492 120.300 -0.027 0.000 2.313 701 Y HA 0.309 4.842 4.550 -0.029 0.000 0.332 701 Y C 1.291 177.185 175.900 -0.010 0.000 1.071 701 Y CA -0.450 57.640 58.100 -0.018 0.000 1.169 701 Y CB 0.456 38.913 38.460 -0.005 0.000 1.192 701 Y HN 0.537 nan 8.280 nan 0.000 0.487 702 L N 1.685 122.979 121.223 0.119 0.000 2.017 702 L HA -0.136 4.186 4.340 -0.029 0.000 0.208 702 L C 0.378 177.300 176.870 0.086 0.000 1.073 702 L CA 1.424 56.310 54.840 0.076 0.000 0.745 702 L CB -0.150 41.937 42.059 0.047 0.000 0.894 702 L HN 0.639 nan 8.230 nan 0.000 0.432 703 E N 0.175 120.438 120.200 0.104 0.000 2.101 703 E HA 0.288 4.620 4.350 -0.029 0.000 0.260 703 E C -2.437 174.200 176.600 0.062 0.000 0.897 703 E CA -2.495 53.947 56.400 0.071 0.000 0.744 703 E CB 0.509 30.238 29.700 0.049 0.000 1.140 703 E HN -0.046 nan 8.360 nan 0.000 0.419 704 P HA -0.116 nan 4.420 nan 0.000 0.247 704 P C -0.295 176.922 177.300 -0.139 0.000 1.147 704 P CA 0.597 63.666 63.100 -0.052 0.000 0.964 704 P CB 0.114 31.800 31.700 -0.022 0.000 0.944 705 T N 5.533 119.914 114.554 -0.288 0.000 2.869 705 T HA 0.290 4.623 4.350 -0.029 0.000 0.295 705 T C -2.232 172.302 174.700 -0.276 0.000 0.987 705 T CA -2.329 59.614 62.100 -0.261 0.000 1.109 705 T CB -0.017 68.695 68.868 -0.259 0.000 0.932 705 T HN 0.116 nan 8.240 nan 0.000 0.518 706 P HA 0.096 nan 4.420 nan 0.000 0.268 706 P C -0.159 177.064 177.300 -0.129 0.000 1.205 706 P CA -0.629 62.397 63.100 -0.123 0.000 0.771 706 P CB 0.357 32.012 31.700 -0.075 0.000 0.858 707 L N 3.210 124.371 121.223 -0.103 0.000 2.559 707 L HA 0.020 4.342 4.340 -0.029 0.000 0.274 707 L C 0.617 177.475 176.870 -0.021 0.000 1.205 707 L CA 0.603 55.405 54.840 -0.063 0.000 0.907 707 L CB -0.782 41.261 42.059 -0.027 0.000 1.153 707 L HN 0.336 nan 8.230 nan 0.000 0.490 708 D N 2.190 122.601 120.400 0.018 0.000 2.449 708 D HA -0.068 4.555 4.640 -0.029 0.000 0.236 708 D C 0.981 177.289 176.300 0.013 0.000 1.149 708 D CA 0.812 54.826 54.000 0.023 0.000 0.878 708 D CB 1.279 42.132 40.800 0.089 0.000 1.198 708 D HN 0.767 nan 8.370 nan 0.000 0.446 709 S N 2.508 118.185 115.700 -0.040 0.000 2.561 709 S HA -0.139 4.313 4.470 -0.029 0.000 0.225 709 S C 1.537 176.074 174.600 -0.106 0.000 0.977 709 S CA 0.639 58.809 58.200 -0.049 0.000 0.926 709 S CB 0.086 63.257 63.200 -0.048 0.000 0.769 709 S HN 0.511 nan 8.310 nan 0.000 0.533 710 K N 0.335 120.601 120.400 -0.223 0.000 2.217 710 K HA 0.113 4.415 4.320 -0.029 0.000 0.202 710 K C 0.438 176.810 176.600 -0.379 0.000 1.051 710 K CA 1.163 57.188 56.287 -0.437 0.000 0.952 710 K CB -0.194 31.806 32.500 -0.833 0.000 0.736 710 K HN 0.410 nan 8.250 nan 0.000 0.453 711 F N 0.073 120.009 119.950 -0.022 0.000 2.724 711 F HA 0.242 4.752 4.527 -0.029 0.000 0.310 711 F C 1.454 177.241 175.800 -0.023 0.000 1.107 711 F CA -0.290 57.702 58.000 -0.013 0.000 1.218 711 F CB 0.553 39.540 39.000 -0.021 0.000 1.042 711 F HN 0.065 nan 8.300 nan 0.000 0.540 712 S N -1.321 114.449 115.700 0.117 0.000 2.414 712 S HA -0.092 4.361 4.470 -0.029 0.000 0.227 712 S C 1.508 176.157 174.600 0.081 0.000 1.022 712 S CA 1.235 59.487 58.200 0.086 0.000 0.958 712 S CB -0.898 62.337 63.200 0.058 0.000 0.797 712 S HN 0.315 nan 8.310 nan 0.000 0.493 713 T N -0.860 113.705 114.554 0.018 0.000 3.258 713 T HA 0.638 4.970 4.350 -0.029 0.000 0.259 713 T C 0.554 175.197 174.700 -0.095 0.000 0.963 713 T CA -0.186 61.876 62.100 -0.063 0.000 0.919 713 T CB 0.272 69.052 68.868 -0.147 0.000 1.110 713 T HN 0.386 nan 8.240 nan 0.000 0.550 714 G N 0.237 109.006 108.800 -0.051 0.000 2.990 714 G HA2 0.685 4.628 3.960 -0.029 0.000 0.208 714 G HA3 0.685 4.628 3.960 -0.029 0.000 0.208 714 G C -1.598 173.124 174.900 -0.296 0.000 1.334 714 G CA -1.136 43.963 45.100 -0.001 0.000 1.024 714 G HN 0.398 nan 8.290 nan 0.000 0.574 715 Y N -1.764 118.575 120.300 0.065 0.000 2.553 715 Y HA 0.537 5.069 4.550 -0.029 0.000 0.347 715 Y C -0.431 175.438 175.900 -0.051 0.000 1.019 715 Y CA -0.696 57.409 58.100 0.008 0.000 1.032 715 Y CB 2.538 41.007 38.460 0.015 0.000 1.284 715 Y HN 0.449 nan 8.280 nan 0.000 0.466 716 L N 2.312 123.601 121.223 0.110 0.000 2.275 716 L HA 0.491 4.813 4.340 -0.029 0.000 0.288 716 L C -0.641 176.273 176.870 0.072 0.000 1.046 716 L CA -0.102 54.765 54.840 0.046 0.000 0.805 716 L CB 1.035 43.107 42.059 0.021 0.000 1.193 716 L HN 0.682 nan 8.230 nan 0.000 0.426 717 E N 5.229 125.458 120.200 0.049 0.000 2.176 717 E HA 0.637 4.970 4.350 -0.029 0.000 0.267 717 E C -1.563 175.072 176.600 0.058 0.000 0.893 717 E CA -0.689 55.736 56.400 0.042 0.000 0.761 717 E CB 1.393 31.106 29.700 0.022 0.000 1.133 717 E HN 0.598 nan 8.360 nan 0.000 0.409 718 L N 0.543 121.811 121.223 0.075 0.000 2.466 718 L HA 0.644 4.967 4.340 -0.029 0.000 0.258 718 L C -1.257 175.711 176.870 0.163 0.000 0.973 718 L CA -1.123 53.796 54.840 0.132 0.000 0.826 718 L CB 1.892 44.046 42.059 0.158 0.000 1.372 718 L HN 0.209 nan 8.230 nan 0.000 0.409 719 K N 2.826 123.360 120.400 0.224 0.000 2.172 719 K HA 0.659 4.962 4.320 -0.029 0.000 0.276 719 K C -0.927 175.999 176.600 0.544 0.000 1.013 719 K CA -0.367 56.118 56.287 0.330 0.000 0.913 719 K CB 1.754 34.377 32.500 0.205 0.000 1.055 719 K HN 0.720 nan 8.250 nan 0.000 0.461 720 M N 2.292 122.215 119.600 0.538 0.000 2.550 720 M HA 0.381 4.843 4.480 -0.029 0.000 0.292 720 M C -1.620 174.725 176.300 0.074 0.000 1.221 720 M CA -0.774 54.747 55.300 0.368 0.000 0.873 720 M CB 2.314 35.076 32.600 0.269 0.000 1.727 720 M HN 0.597 nan 8.290 nan 0.000 0.459 721 R N 3.825 124.088 120.500 -0.395 0.000 2.575 721 R HA 0.632 4.955 4.340 -0.029 0.000 0.293 721 R C -2.153 174.000 176.300 -0.245 0.000 0.983 721 R CA -0.477 55.282 56.100 -0.568 0.000 0.887 721 R CB 1.513 30.945 30.300 -1.447 0.000 1.184 721 R HN 0.791 nan 8.270 nan 0.000 0.445 722 I N 4.906 125.417 120.570 -0.099 0.000 2.354 722 I HA 0.175 4.327 4.170 -0.029 0.000 0.286 722 I C 0.029 176.096 176.117 -0.084 0.000 1.007 722 I CA -0.359 60.921 61.300 -0.033 0.000 1.167 722 I CB 1.805 39.829 38.000 0.039 0.000 1.320 722 I HN 0.732 nan 8.210 nan 0.000 0.458 723 D N 3.880 124.221 120.400 -0.097 0.000 2.301 723 D HA -0.018 4.604 4.640 -0.029 0.000 0.206 723 D C 0.675 176.916 176.300 -0.098 0.000 0.979 723 D CA 0.331 54.264 54.000 -0.113 0.000 0.874 723 D CB 0.261 40.983 40.800 -0.129 0.000 0.968 723 D HN 0.254 nan 8.370 nan 0.000 0.510 724 K N 0.898 121.252 120.400 -0.076 0.000 2.572 724 K HA 0.590 4.892 4.320 -0.029 0.000 0.244 724 K C -0.972 175.573 176.600 -0.092 0.000 0.965 724 K CA -0.757 55.482 56.287 -0.080 0.000 0.943 724 K CB 1.313 33.773 32.500 -0.067 0.000 1.154 724 K HN 0.062 nan 8.250 nan 0.000 0.447 725 A N 4.586 127.348 122.820 -0.096 0.000 2.520 725 A HA 0.204 4.506 4.320 -0.029 0.000 0.235 725 A C -2.121 175.367 177.584 -0.160 0.000 1.065 725 A CA -0.799 51.170 52.037 -0.113 0.000 0.764 725 A CB -0.440 18.503 19.000 -0.096 0.000 1.002 725 A HN 0.580 nan 8.150 nan 0.000 0.502 726 P HA 0.022 nan 4.420 nan 0.000 0.263 726 P C 0.817 178.001 177.300 -0.192 0.000 1.345 726 P CA 0.049 62.969 63.100 -0.299 0.000 1.119 726 P CB 0.420 31.867 31.700 -0.421 0.000 1.363 727 E N 3.213 123.320 120.200 -0.154 0.000 2.065 727 E HA -0.264 4.068 4.350 -0.029 0.000 0.201 727 E C 0.715 177.255 176.600 -0.100 0.000 1.016 727 E CA 1.698 58.034 56.400 -0.107 0.000 0.818 727 E CB 0.235 29.883 29.700 -0.087 0.000 0.749 727 E HN 0.547 nan 8.360 nan 0.000 0.453 728 Q N -0.757 118.976 119.800 -0.112 0.000 2.219 728 Q HA 0.307 4.630 4.340 -0.029 0.000 0.209 728 Q C 0.404 176.338 176.000 -0.109 0.000 0.854 728 Q CA 0.346 56.093 55.803 -0.093 0.000 0.960 728 Q CB 1.608 30.300 28.738 -0.077 0.000 1.116 728 Q HN 0.280 nan 8.270 nan 0.000 0.500 729 G N 0.674 109.384 108.800 -0.149 0.000 2.539 729 G HA2 0.242 4.184 3.960 -0.029 0.000 0.686 729 G HA3 0.242 4.184 3.960 -0.029 0.000 0.686 729 G C -1.409 173.338 174.900 -0.255 0.000 1.258 729 G CA -0.599 44.408 45.100 -0.156 0.000 0.846 729 G HN 0.393 nan 8.290 nan 0.000 0.647 730 A N 0.336 123.002 122.820 -0.257 0.000 2.606 730 A HA 0.874 5.176 4.320 -0.029 0.000 0.293 730 A C -0.699 176.866 177.584 -0.032 0.000 1.082 730 A CA -0.183 51.617 52.037 -0.395 0.000 0.685 730 A CB 2.070 20.414 19.000 -1.094 0.000 1.284 730 A HN 1.760 nan 8.150 nan 0.000 0.408 731 N N -0.166 118.534 118.700 0.001 0.000 2.321 731 N HA 0.610 5.332 4.740 -0.029 0.000 0.299 731 N C -1.618 174.063 175.510 0.285 0.000 1.048 731 N CA -0.390 52.757 53.050 0.162 0.000 0.836 731 N CB 1.559 40.080 38.487 0.057 0.000 1.269 731 N HN 0.610 nan 8.380 nan 0.000 0.486 732 L N 2.682 124.084 121.223 0.298 0.000 2.295 732 L HA 0.487 4.810 4.340 -0.029 0.000 0.281 732 L C -0.865 176.071 176.870 0.110 0.000 1.018 732 L CA -0.213 54.761 54.840 0.223 0.000 0.841 732 L CB 0.766 42.900 42.059 0.124 0.000 1.218 732 L HN 0.573 nan 8.230 nan 0.000 0.424 733 Q N 3.301 123.160 119.800 0.099 0.000 2.241 733 Q HA 0.700 5.022 4.340 -0.029 0.000 0.254 733 Q C -1.233 174.801 176.000 0.056 0.000 0.917 733 Q CA -0.667 55.175 55.803 0.065 0.000 0.919 733 Q CB 2.568 31.344 28.738 0.063 0.000 1.237 733 Q HN 0.520 nan 8.270 nan 0.000 0.434 734 V N 3.875 123.810 119.914 0.036 0.000 2.483 734 V HA 0.309 4.412 4.120 -0.029 0.000 0.297 734 V C -0.416 175.696 176.094 0.030 0.000 1.027 734 V CA -0.897 61.422 62.300 0.031 0.000 0.855 734 V CB 1.634 33.463 31.823 0.010 0.000 0.995 734 V HN 0.853 nan 8.190 nan 0.000 0.424 735 M N 2.811 122.442 119.600 0.051 0.000 3.044 735 M HA -0.150 4.312 4.480 -0.029 0.000 0.177 735 M C -0.286 176.037 176.300 0.040 0.000 1.219 735 M CA 0.389 55.723 55.300 0.056 0.000 0.764 735 M CB -2.118 30.499 32.600 0.029 0.000 1.242 735 M HN 0.723 nan 8.290 nan 0.000 0.731 736 c N 1.187 119.820 118.600 0.056 0.000 2.350 736 c HA 0.620 5.172 4.570 -0.029 0.000 0.348 736 c C 1.618 175.729 174.090 0.035 0.000 1.260 736 c CA 0.159 56.513 56.329 0.041 0.000 1.966 736 c CB 1.507 44.046 42.510 0.049 0.000 2.380 736 c HN 0.816 nan 8.230 nan 0.000 0.535 737 S N -0.277 115.433 115.700 0.016 0.000 2.562 737 S HA 0.462 4.914 4.470 -0.029 0.000 0.246 737 S C 0.581 175.186 174.600 0.008 0.000 1.056 737 S CA 0.703 58.906 58.200 0.004 0.000 1.042 737 S CB -0.390 62.803 63.200 -0.011 0.000 0.822 737 S HN 1.433 nan 8.310 nan 0.000 0.465 738 E N -0.829 119.383 120.200 0.020 0.000 2.553 738 E HA 0.149 4.482 4.350 -0.029 0.000 0.264 738 E C 0.510 177.118 176.600 0.013 0.000 1.068 738 E CA 0.840 57.252 56.400 0.019 0.000 0.774 738 E CB -2.904 nan 29.700 nan 0.000 1.349 738 E HN 2.638 nan 8.360 nan 0.000 0.404 739 S N -0.775 114.932 115.700 0.013 0.000 3.488 739 S HA 0.295 4.748 4.470 -0.029 0.000 0.820 739 S C -0.023 174.578 174.600 0.001 0.000 0.493 739 S CA 0.922 59.127 58.200 0.008 0.000 1.476 739 S CB -1.603 nan 63.200 nan 0.000 0.932 739 S HN 2.206 nan 8.310 nan 0.000 1.058 740 N N 0.521 119.219 118.700 -0.002 0.000 2.879 740 N HA 0.819 5.541 4.740 -0.029 0.000 0.329 740 N C -0.273 175.239 175.510 0.002 0.000 1.337 740 N CA -0.321 52.729 53.050 0.001 0.000 0.844 740 N CB 0.750 39.234 38.487 -0.005 0.000 1.236 740 N HN 0.882 nan 8.380 nan 0.000 0.601 741 c N 0.177 118.779 118.600 0.004 0.000 2.391 741 c HA 0.450 5.002 4.570 -0.029 0.000 0.339 741 c C 2.409 176.495 174.090 -0.008 0.000 1.205 741 c CA -0.768 55.565 56.329 0.006 0.000 1.937 741 c CB 0.320 42.841 42.510 0.018 0.000 2.341 741 c HN 0.665 nan 8.230 nan 0.000 0.516 742 L N 0.828 122.043 121.223 -0.012 0.000 2.046 742 L HA -0.042 4.280 4.340 -0.029 0.000 0.208 742 L C 1.165 178.017 176.870 -0.030 0.000 1.077 742 L CA 1.507 56.329 54.840 -0.030 0.000 0.747 742 L CB -0.379 41.661 42.059 -0.032 0.000 0.896 742 L HN 0.634 nan 8.230 nan 0.000 0.432 743 R N 0.091 120.581 120.500 -0.015 0.000 2.750 743 R HA 0.382 4.704 4.340 -0.029 0.000 0.281 743 R C -1.149 175.153 176.300 0.003 0.000 0.972 743 R CA -0.541 55.551 56.100 -0.014 0.000 0.912 743 R CB 1.749 32.036 30.300 -0.022 0.000 1.187 743 R HN -0.055 nan 8.270 nan 0.000 0.464 744 D N 3.026 123.430 120.400 0.008 0.000 2.375 744 D HA 0.283 4.905 4.640 -0.029 0.000 0.241 744 D C -1.031 175.291 176.300 0.036 0.000 1.361 744 D CA -0.284 53.732 54.000 0.027 0.000 0.995 744 D CB 0.903 41.717 40.800 0.024 0.000 1.312 744 D HN 0.395 nan 8.370 nan 0.000 0.576 745 I N 2.318 122.923 120.570 0.057 0.000 2.474 745 I HA 0.230 4.383 4.170 -0.029 0.000 0.294 745 I C -0.046 176.166 176.117 0.158 0.000 1.005 745 I CA -0.806 60.544 61.300 0.082 0.000 1.113 745 I CB 1.874 39.895 38.000 0.035 0.000 1.289 745 I HN 0.105 nan 8.210 nan 0.000 0.436 746 D N 5.678 126.168 120.400 0.150 0.000 2.317 746 D HA 0.107 4.729 4.640 -0.029 0.000 0.252 746 D C 0.949 177.369 176.300 0.201 0.000 1.174 746 D CA -0.061 54.039 54.000 0.166 0.000 0.866 746 D CB 0.913 41.764 40.800 0.086 0.000 1.127 746 D HN 0.333 nan 8.370 nan 0.000 0.467 747 F N 1.800 121.727 119.950 -0.038 0.000 2.106 747 F HA -0.317 4.192 4.527 -0.029 0.000 0.299 747 F C 2.725 178.224 175.800 -0.502 0.000 1.082 747 F CA 1.804 59.581 58.000 -0.370 0.000 1.244 747 F CB -0.584 38.203 39.000 -0.355 0.000 0.997 747 F HN 0.357 nan 8.300 nan 0.000 0.486 748 S N -1.027 114.639 115.700 -0.057 0.000 2.442 748 S HA -0.171 4.282 4.470 -0.029 0.000 0.236 748 S C 2.013 176.563 174.600 -0.084 0.000 1.007 748 S CA 1.034 59.178 58.200 -0.093 0.000 0.965 748 S CB -0.958 62.215 63.200 -0.045 0.000 0.773 748 S HN 0.436 nan 8.310 nan 0.000 0.504 749 S N 1.110 116.798 115.700 -0.020 0.000 2.527 749 S HA 0.125 4.578 4.470 -0.029 0.000 0.222 749 S C 0.992 175.658 174.600 0.111 0.000 0.985 749 S CA 0.004 58.232 58.200 0.047 0.000 0.921 749 S CB -0.856 62.395 63.200 0.085 0.000 0.772 749 S HN 0.859 nan 8.310 nan 0.000 0.529 750 F N 0.922 120.826 119.950 -0.077 0.000 2.764 750 F HA 0.536 5.045 4.527 -0.030 0.000 0.310 750 F C 1.480 177.220 175.800 -0.100 0.000 1.124 750 F CA -0.306 57.632 58.000 -0.103 0.000 1.252 750 F CB -0.345 38.569 39.000 -0.143 0.000 1.010 750 F HN 0.163 nan 8.300 nan 0.000 0.518 751 S N -0.166 115.336 115.700 -0.329 0.000 2.368 751 S HA -0.285 4.167 4.470 -0.029 0.000 0.225 751 S C 1.931 176.443 174.600 -0.147 0.000 1.030 751 S CA 1.503 59.531 58.200 -0.286 0.000 0.999 751 S CB -0.555 62.525 63.200 -0.199 0.000 0.844 751 S HN 0.469 nan 8.310 nan 0.000 0.459 752 Q N 1.612 121.358 119.800 -0.090 0.000 2.297 752 Q HA -0.027 4.296 4.340 -0.029 0.000 0.208 752 Q C 1.868 177.823 176.000 -0.075 0.000 0.981 752 Q CA 1.530 57.295 55.803 -0.063 0.000 0.876 752 Q CB -0.759 27.956 28.738 -0.039 0.000 0.921 752 Q HN 0.883 nan 8.270 nan 0.000 0.446 753 L N -3.772 117.395 121.223 -0.093 0.000 2.607 753 L HA 0.296 4.618 4.340 -0.029 0.000 0.228 753 L C 1.100 177.739 176.870 -0.386 0.000 1.123 753 L CA 0.407 55.133 54.840 -0.189 0.000 0.890 753 L CB 0.182 42.149 42.059 -0.153 0.000 1.103 753 L HN -0.011 nan 8.230 nan 0.000 0.468 754 M N -0.006 119.481 119.600 -0.189 0.000 2.333 754 M HA 0.376 4.838 4.480 -0.029 0.000 0.257 754 M C 1.935 178.240 176.300 0.007 0.000 1.078 754 M CA 0.653 55.906 55.300 -0.079 0.000 1.005 754 M CB -0.162 32.434 32.600 -0.007 0.000 1.444 754 M HN 0.386 nan 8.290 nan 0.000 0.496 755 A N 1.657 124.458 122.820 -0.031 0.000 2.259 755 A HA -0.131 4.171 4.320 -0.029 0.000 0.212 755 A C 1.474 179.066 177.584 0.013 0.000 1.178 755 A CA 1.544 53.570 52.037 -0.019 0.000 0.734 755 A CB -0.783 18.197 19.000 -0.033 0.000 0.774 755 A HN 0.571 nan 8.150 nan 0.000 0.481 756 D N -1.004 119.439 120.400 0.072 0.000 2.349 756 D HA -0.069 4.553 4.640 -0.029 0.000 0.215 756 D C 0.366 176.687 176.300 0.034 0.000 1.016 756 D CA 0.443 54.488 54.000 0.075 0.000 0.870 756 D CB -0.201 40.685 40.800 0.143 0.000 0.917 756 D HN 0.258 nan 8.370 nan 0.000 0.524 757 K N -0.880 119.530 120.400 0.016 0.000 3.274 757 K HA -0.172 4.130 4.320 -0.029 0.000 0.300 757 K C 0.084 176.613 176.600 -0.118 0.000 1.230 757 K CA 0.709 56.960 56.287 -0.059 0.000 0.884 757 K CB -2.662 29.790 32.500 -0.080 0.000 1.242 757 K HN 0.340 nan 8.250 nan 0.000 0.467 758 S N -1.238 114.406 115.700 -0.092 0.000 2.759 758 S HA 0.631 5.083 4.470 -0.029 0.000 0.310 758 S C -0.800 173.589 174.600 -0.351 0.000 1.123 758 S CA -0.868 57.213 58.200 -0.197 0.000 0.959 758 S CB 0.722 63.863 63.200 -0.098 0.000 1.172 758 S HN 0.275 nan 8.310 nan 0.000 0.539 759 W N 1.905 123.047 121.300 -0.262 0.000 2.190 759 W HA 0.389 5.031 4.660 -0.030 0.000 0.330 759 W C 0.526 176.704 176.519 -0.568 0.000 1.299 759 W CA 0.076 57.273 57.345 -0.247 0.000 1.215 759 W CB 0.363 29.751 29.460 -0.120 0.000 1.147 759 W HN 0.483 nan 8.180 nan 0.000 0.563 760 H N 0.847 120.108 119.070 0.318 0.000 2.865 760 H HA 0.238 4.777 4.556 -0.029 0.000 0.362 760 H C -0.837 174.606 175.328 0.191 0.000 1.114 760 H CA -0.841 55.325 56.048 0.196 0.000 1.208 760 H CB 1.658 31.497 29.762 0.129 0.000 1.727 760 H HN 0.105 nan 8.280 nan 0.000 0.534 761 T N 4.364 119.052 114.554 0.223 0.000 2.728 761 T HA 0.321 4.653 4.350 -0.029 0.000 0.296 761 T C 0.793 175.546 174.700 0.088 0.000 0.940 761 T CA -0.557 61.626 62.100 0.138 0.000 1.013 761 T CB 0.122 69.035 68.868 0.075 0.000 0.912 761 T HN 0.183 nan 8.240 nan 0.000 0.484 762 L N 2.866 124.126 121.223 0.062 0.000 2.289 762 L HA 0.703 5.025 4.340 -0.029 0.000 0.285 762 L C 0.350 177.205 176.870 -0.025 0.000 1.049 762 L CA -1.001 53.826 54.840 -0.021 0.000 0.804 762 L CB 1.157 43.158 42.059 -0.096 0.000 1.195 762 L HN 0.622 nan 8.230 nan 0.000 0.428 763 A N 5.516 128.311 122.820 -0.042 0.000 2.304 763 A HA 0.749 5.051 4.320 -0.029 0.000 0.314 763 A C -0.594 177.035 177.584 0.076 0.000 1.187 763 A CA -0.401 51.633 52.037 -0.006 0.000 0.810 763 A CB 0.567 19.492 19.000 -0.126 0.000 1.183 763 A HN 0.685 nan 8.150 nan 0.000 0.487 764 I N 4.946 125.607 120.570 0.152 0.000 2.405 764 I HA 0.287 4.440 4.170 -0.029 0.000 0.280 764 I C -2.271 173.936 176.117 0.149 0.000 1.027 764 I CA -2.260 59.098 61.300 0.097 0.000 1.161 764 I CB 2.156 40.151 38.000 -0.009 0.000 1.300 764 I HN 0.433 nan 8.210 nan 0.000 0.463 765 P HA 0.072 nan 4.420 nan 0.000 0.267 765 P C 0.431 177.625 177.300 -0.177 0.000 1.205 765 P CA 0.070 62.995 63.100 -0.292 0.000 0.765 765 P CB 1.214 32.800 31.700 -0.189 0.000 0.828 766 L N 1.331 122.428 121.223 -0.209 0.000 2.477 766 L HA 0.093 4.416 4.340 -0.029 0.000 0.220 766 L C 1.527 178.367 176.870 -0.050 0.000 1.106 766 L CA 0.490 55.275 54.840 -0.092 0.000 0.851 766 L CB -0.494 41.530 42.059 -0.058 0.000 0.994 766 L HN 0.537 nan 8.230 nan 0.000 0.462 767 H N -0.405 118.577 119.070 -0.146 0.000 2.641 767 H HA 0.221 4.759 4.556 -0.029 0.000 0.295 767 H C -0.298 174.982 175.328 -0.079 0.000 1.070 767 H CA -0.386 55.604 56.048 -0.097 0.000 1.257 767 H CB 1.369 31.076 29.762 -0.093 0.000 1.393 767 H HN 0.119 nan 8.280 nan 0.000 0.464 768 c N 2.218 120.719 118.600 -0.165 0.000 2.854 768 c HA 0.242 4.794 4.570 -0.029 0.000 0.524 768 c C 0.980 175.006 174.090 -0.107 0.000 1.332 768 c CA 0.781 57.066 56.329 -0.073 0.000 2.553 768 c CB -0.310 42.165 42.510 -0.058 0.000 3.360 768 c HN 1.057 nan 8.230 nan 0.000 0.541 777 P HA 0.277 nan 4.420 nan 0.000 0.282 777 P C -0.626 176.625 177.300 -0.081 0.000 1.262 777 P CA 0.050 63.105 63.100 -0.075 0.000 0.773 777 P CB 0.707 32.373 31.700 -0.056 0.000 0.879 778 I N 3.711 124.193 120.570 -0.145 0.000 2.312 778 I HA 0.076 4.228 4.170 -0.029 0.000 0.291 778 I C 1.544 177.623 176.117 -0.064 0.000 1.031 778 I CA 0.079 61.306 61.300 -0.121 0.000 1.293 778 I CB 0.554 38.450 38.000 -0.174 0.000 1.403 778 I HN 0.339 nan 8.210 nan 0.000 0.484 779 T N 3.868 118.457 114.554 0.057 0.000 2.814 779 T HA 0.017 4.349 4.350 -0.029 0.000 0.254 779 T C 0.279 175.126 174.700 0.245 0.000 1.037 779 T CA 0.720 62.904 62.100 0.139 0.000 1.143 779 T CB 0.063 68.980 68.868 0.082 0.000 0.866 779 T HN 0.438 nan 8.240 nan 0.000 0.431 780 D N 0.847 121.352 120.400 0.175 0.000 2.441 780 D HA 0.614 5.236 4.640 -0.029 0.000 0.231 780 D C 0.727 177.118 176.300 0.152 0.000 1.073 780 D CA -0.315 53.767 54.000 0.137 0.000 0.850 780 D CB 1.406 42.259 40.800 0.088 0.000 1.062 780 D HN 0.158 nan 8.370 nan 0.000 0.524 781 A N 2.842 125.743 122.820 0.135 0.000 1.908 781 A HA 0.022 4.324 4.320 -0.029 0.000 0.218 781 A C 0.790 178.413 177.584 0.064 0.000 1.181 781 A CA 1.367 53.471 52.037 0.112 0.000 0.627 781 A CB -0.415 18.552 19.000 -0.056 0.000 0.818 781 A HN 0.599 nan 8.150 nan 0.000 0.445 782 L N -5.373 115.878 121.223 0.048 0.000 2.469 782 L HA 0.809 5.131 4.340 -0.029 0.000 0.256 782 L C -0.700 176.224 176.870 0.091 0.000 1.006 782 L CA -0.928 53.954 54.840 0.071 0.000 0.832 782 L CB 2.021 44.129 42.059 0.081 0.000 1.421 782 L HN 0.127 nan 8.230 nan 0.000 0.410 783 R N 2.215 122.778 120.500 0.105 0.000 2.512 783 R HA 0.707 5.030 4.340 -0.029 0.000 0.291 783 R C -1.986 174.399 176.300 0.140 0.000 1.097 783 R CA -0.475 55.695 56.100 0.116 0.000 0.940 783 R CB 1.399 31.755 30.300 0.093 0.000 1.198 783 R HN 0.886 nan 8.270 nan 0.000 0.429 784 I N 3.432 124.110 120.570 0.179 0.000 2.354 784 I HA 0.319 4.472 4.170 -0.029 0.000 0.292 784 I C -0.308 175.879 176.117 0.116 0.000 0.989 784 I CA -0.557 60.835 61.300 0.153 0.000 1.188 784 I CB 2.274 40.360 38.000 0.143 0.000 1.342 784 I HN 0.496 nan 8.210 nan 0.000 0.457 785 T N 4.422 118.949 114.554 -0.045 0.000 2.812 785 T HA 0.578 4.910 4.350 -0.029 0.000 0.282 785 T C -0.435 174.081 174.700 -0.306 0.000 0.990 785 T CA -0.534 61.530 62.100 -0.060 0.000 0.960 785 T CB 1.620 70.492 68.868 0.006 0.000 0.948 785 T HN 0.636 nan 8.240 nan 0.000 0.438 786 S N 1.733 117.211 115.700 -0.369 0.000 2.703 786 S HA 0.389 4.841 4.470 -0.029 0.000 0.273 786 S C -0.541 173.945 174.600 -0.189 0.000 1.178 786 S CA -0.522 57.395 58.200 -0.473 0.000 0.838 786 S CB 1.454 64.083 63.200 -0.952 0.000 1.178 786 S HN 0.712 nan 8.310 nan 0.000 0.494 787 Q N 0.365 120.071 119.800 -0.157 0.000 2.586 787 Q HA 0.412 4.734 4.340 -0.029 0.000 0.243 787 Q C -0.087 175.923 176.000 0.017 0.000 0.846 787 Q CA -0.152 55.643 55.803 -0.013 0.000 0.959 787 Q CB 0.510 29.228 28.738 -0.034 0.000 1.227 787 Q HN 0.545 nan 8.270 nan 0.000 0.611 788 N N 0.869 119.528 118.700 -0.068 0.000 2.491 788 N HA 0.506 5.228 4.740 -0.029 0.000 0.274 788 N C -2.062 173.376 175.510 -0.120 0.000 1.023 788 N CA -0.066 52.960 53.050 -0.039 0.000 0.902 788 N CB 1.532 39.987 38.487 -0.053 0.000 1.267 788 N HN -0.042 nan 8.380 nan 0.000 0.503 789 L N 1.896 123.104 121.223 -0.025 0.000 2.612 789 L HA 0.465 4.787 4.340 -0.029 0.000 0.256 789 L C -1.661 175.301 176.870 0.152 0.000 0.949 789 L CA -0.338 54.435 54.840 -0.112 0.000 0.867 789 L CB 2.113 43.826 42.059 -0.576 0.000 1.417 789 L HN 0.350 nan 8.230 nan 0.000 0.414 790 S N 3.691 119.439 115.700 0.079 0.000 2.736 790 S HA 0.896 5.348 4.470 -0.029 0.000 0.285 790 S C -1.556 173.111 174.600 0.112 0.000 1.163 790 S CA -0.439 57.850 58.200 0.148 0.000 1.025 790 S CB 0.686 63.919 63.200 0.054 0.000 1.030 790 S HN 0.937 nan 8.310 nan 0.000 0.486 791 L N 2.053 123.410 121.223 0.223 0.000 2.630 791 L HA 1.116 5.438 4.340 -0.029 0.000 0.258 791 L C -0.737 176.250 176.870 0.194 0.000 1.072 791 L CA -1.076 53.863 54.840 0.166 0.000 0.885 791 L CB 0.913 43.110 42.059 0.231 0.000 1.502 791 L HN 0.662 nan 8.230 nan 0.000 0.406 792 A N 0.648 123.509 122.820 0.070 0.000 2.413 792 A HA 0.961 5.264 4.320 -0.029 0.000 0.307 792 A C -1.027 176.757 177.584 0.333 0.000 1.087 792 A CA -0.502 51.620 52.037 0.142 0.000 0.750 792 A CB 1.288 20.290 19.000 0.003 0.000 1.296 792 A HN 0.734 nan 8.150 nan 0.000 0.423 793 I N 0.619 121.520 120.570 0.552 0.000 2.619 793 I HA 0.671 4.823 4.170 -0.029 0.000 0.292 793 I C 0.159 176.649 176.117 0.621 0.000 1.100 793 I CA -0.388 61.282 61.300 0.617 0.000 1.043 793 I CB 2.237 40.555 38.000 0.529 0.000 1.239 793 I HN 0.880 nan 8.210 nan 0.000 0.420 794 A N 3.148 126.296 122.820 0.546 0.000 2.564 794 A HA 0.669 4.971 4.320 -0.029 0.000 0.288 794 A C -1.096 176.683 177.584 0.325 0.000 1.164 794 A CA -0.485 51.808 52.037 0.427 0.000 0.712 794 A CB 1.052 20.076 19.000 0.040 0.000 1.303 794 A HN 0.755 nan 8.150 nan 0.000 0.418 795 D N -0.375 120.152 120.400 0.211 0.000 2.735 795 D HA -0.119 4.503 4.640 -0.029 0.000 0.235 795 D C -0.303 176.072 176.300 0.126 0.000 1.175 795 D CA 1.131 55.174 54.000 0.072 0.000 0.683 795 D CB -1.548 39.248 40.800 -0.007 0.000 1.008 795 D HN 0.481 nan 8.370 nan 0.000 0.416 796 V N -0.195 119.838 119.914 0.200 0.000 2.432 796 V HA 0.751 4.853 4.120 -0.029 0.000 0.275 796 V C 0.803 176.933 176.094 0.061 0.000 1.043 796 V CA 0.018 62.407 62.300 0.149 0.000 0.925 796 V CB 1.597 33.535 31.823 0.192 0.000 0.985 796 V HN 0.514 nan 8.190 nan 0.000 0.466 797 A N 4.882 127.721 122.820 0.032 0.000 2.606 797 A HA 0.828 5.130 4.320 -0.029 0.000 0.293 797 A C -1.300 176.268 177.584 -0.028 0.000 1.082 797 A CA -0.672 51.367 52.037 0.003 0.000 0.685 797 A CB 1.295 20.296 19.000 0.002 0.000 1.284 797 A HN 0.691 nan 8.150 nan 0.000 0.408 798 L N 0.908 122.073 121.223 -0.095 0.000 2.334 798 L HA 0.742 5.065 4.340 -0.029 0.000 0.277 798 L C 0.438 177.167 176.870 -0.235 0.000 1.075 798 L CA -0.153 54.463 54.840 -0.374 0.000 0.804 798 L CB 1.867 43.337 42.059 -0.980 0.000 1.174 798 L HN 0.825 nan 8.230 nan 0.000 0.438 799 T N 1.622 116.147 114.554 -0.049 0.000 2.894 799 T HA 0.411 4.743 4.350 -0.029 0.000 0.309 799 T C 0.700 175.661 174.700 0.434 0.000 1.208 799 T CA -0.601 61.651 62.100 0.254 0.000 1.016 799 T CB 1.162 70.107 68.868 0.129 0.000 1.192 799 T HN 0.473 nan 8.240 nan 0.000 0.491 800 I N 1.541 122.359 120.570 0.414 0.000 2.235 800 I HA 0.316 4.469 4.170 -0.029 0.000 0.241 800 I C 0.824 177.143 176.117 0.337 0.000 1.085 800 I CA 0.401 61.910 61.300 0.349 0.000 1.378 800 I CB -0.283 37.822 38.000 0.176 0.000 1.076 800 I HN 0.484 nan 8.210 nan 0.000 0.415 801 K N 2.333 122.834 120.400 0.168 0.000 2.259 801 K HA 0.558 4.860 4.320 -0.029 0.000 0.252 801 K C -2.819 173.671 176.600 -0.183 0.000 0.936 801 K CA -2.088 54.217 56.287 0.030 0.000 0.810 801 K CB 1.345 33.862 32.500 0.028 0.000 1.143 801 K HN -0.118 nan 8.250 nan 0.000 0.427 802 P HA -0.040 nan 4.420 nan 0.000 0.271 802 P C -0.236 176.938 177.300 -0.210 0.000 1.226 802 P CA -0.119 62.693 63.100 -0.481 0.000 0.765 802 P CB 0.917 32.216 31.700 -0.667 0.000 0.835 803 S N 1.861 117.482 115.700 -0.132 0.000 2.569 803 S HA -0.048 4.404 4.470 -0.029 0.000 0.274 803 S C 1.165 175.727 174.600 -0.063 0.000 1.353 803 S CA -0.183 57.975 58.200 -0.070 0.000 1.023 803 S CB 0.310 63.484 63.200 -0.043 0.000 0.876 803 S HN 0.432 nan 8.310 nan 0.000 0.540 804 D N 0.650 121.027 120.400 -0.039 0.000 2.133 804 D HA -0.143 4.479 4.640 -0.029 0.000 0.192 804 D C 0.107 176.393 176.300 -0.023 0.000 1.001 804 D CA 1.447 55.429 54.000 -0.029 0.000 0.844 804 D CB -0.212 40.577 40.800 -0.018 0.000 0.944 804 D HN 0.656 nan 8.370 nan 0.000 0.447 805 D N 0.045 120.436 120.400 -0.015 0.000 3.133 805 D HA 0.125 4.747 4.640 -0.029 0.000 0.288 805 D C -0.491 175.814 176.300 0.009 0.000 1.346 805 D CA -0.027 53.974 54.000 0.001 0.000 0.934 805 D CB 0.336 41.143 40.800 0.012 0.000 1.042 805 D HN 0.050 nan 8.370 nan 0.000 0.506 806 S N -0.466 115.226 115.700 -0.014 0.000 2.532 806 S HA 0.653 5.105 4.470 -0.029 0.000 0.301 806 S C -0.233 174.355 174.600 -0.020 0.000 1.083 806 S CA -0.831 57.360 58.200 -0.016 0.000 1.025 806 S CB 1.951 65.115 63.200 -0.061 0.000 1.056 806 S HN 0.008 nan 8.310 nan 0.000 0.494 807 I N 2.490 123.055 120.570 -0.008 0.000 2.315 807 I HA 0.288 4.441 4.170 -0.029 0.000 0.291 807 I C 0.283 176.371 176.117 -0.048 0.000 1.006 807 I CA 0.144 61.430 61.300 -0.023 0.000 1.265 807 I CB 1.496 39.485 38.000 -0.019 0.000 1.387 807 I HN 0.651 nan 8.210 nan 0.000 0.475 808 S N 6.972 122.651 115.700 -0.034 0.000 2.528 808 S HA 0.383 4.835 4.470 -0.029 0.000 0.277 808 S C 0.207 174.787 174.600 -0.034 0.000 1.297 808 S CA -0.481 57.715 58.200 -0.008 0.000 1.052 808 S CB 0.301 63.525 63.200 0.041 0.000 0.917 808 S HN 0.367 nan 8.310 nan 0.000 0.492 809 L N 4.389 125.574 121.223 -0.063 0.000 2.512 809 L HA 0.215 4.537 4.340 -0.029 0.000 0.247 809 L C 1.347 178.197 176.870 -0.033 0.000 1.204 809 L CA -0.662 54.116 54.840 -0.104 0.000 1.153 809 L CB -0.882 41.022 42.059 -0.258 0.000 1.415 809 L HN 0.699 nan 8.230 nan 0.000 0.406 810 T N -1.628 112.929 114.554 0.004 0.000 2.652 810 T HA 0.355 4.687 4.350 -0.029 0.000 0.319 810 T C 0.421 175.127 174.700 0.009 0.000 1.029 810 T CA -0.369 61.748 62.100 0.027 0.000 0.990 810 T CB 1.299 70.190 68.868 0.039 0.000 1.098 810 T HN 0.636 nan 8.240 nan 0.000 0.520 811 c N -1.947 116.661 118.600 0.013 0.000 3.332 811 c HA 0.870 5.423 4.570 -0.029 0.000 0.329 811 c C 0.302 174.399 174.090 0.012 0.000 1.434 811 c CA -1.123 55.210 56.329 0.007 0.000 1.314 811 c CB 0.720 43.228 42.510 -0.004 0.000 1.664 811 c HN 1.307 nan 8.230 nan 0.000 0.457 812 A N 1.943 124.768 122.820 0.009 0.000 2.545 812 A HA 0.491 4.794 4.320 -0.029 0.000 0.253 812 A C 0.237 177.833 177.584 0.020 0.000 1.074 812 A CA 0.732 52.776 52.037 0.012 0.000 0.760 812 A CB -0.066 18.938 19.000 0.007 0.000 1.005 812 A HN 1.012 nan 8.150 nan 0.000 0.506 813 K N 0.000 120.416 120.400 0.026 0.000 2.780 813 K HA 0.000 4.302 4.320 -0.029 0.000 0.191 813 K CA 0.000 56.311 56.287 0.040 0.000 0.838 813 K CB 0.000 32.524 32.500 0.040 0.000 1.064 813 K HN 0.000 nan 8.250 nan 0.000 0.543