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 1hb9_1_K DATA FIRST_RESID 11 DATA SEQUENCE QQAALRNQQA MAANLQARQI VLQQSYPVIQ QVETQTFDPA NRSVFDVTPA DATA SEQUENCE NVGIVKGFLV KVTAAITNNH ATEAVALTDF GPANLVQRVI YYDPDNQRHT DATA SEQUENCE ETSGWHLHFV NTAKQGAPFL SSMVTDSPIK YGDVMNVIDA PATIAAGATG DATA SEQUENCE ELTMYYWVPL AYSETDLTGA VLANVPQSKQ RLKLEFANNN TAFAAVGANP DATA SEQUENCE LEAIYQGAGA ADCEFEEISY TVYQSYLDQL PVGQNGYILP LIDLSTLYNL DATA SEQUENCE ENSAQAGLTP NVDFVVQYAN LYRYLSTIAV FDNGGSFNAG TDINYLSQRT DATA SEQUENCE ANFSDTRKLD PKTWAAQTRR RIATDFPKGV YYCDNRDKPI YTLQYGNVGF DATA SEQUENCE VVNPKTVNQN ARLLMGYEYF TSRT 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 11 Q HA 0.000 nan 4.340 nan 0.000 0.214 11 Q C 0.000 176.000 176.000 -0.000 0.000 1.003 11 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 11 Q CB 0.000 28.738 28.738 -0.001 0.000 1.108 12 Q N -0.828 118.972 119.800 -0.000 0.000 1.098 12 Q HA 0.561 4.901 4.340 0.000 0.000 0.752 12 Q C 2.324 178.324 176.000 0.001 0.000 0.899 12 Q CA 3.427 59.230 55.803 -0.000 0.000 0.894 12 Q CB -1.389 27.349 28.738 -0.000 0.000 0.959 12 Q HN 2.696 nan 8.270 nan 0.000 0.280 13 A N -1.441 121.380 122.820 0.001 0.000 3.367 13 A HA -0.091 4.229 4.320 0.000 0.000 0.270 13 A C 1.954 179.539 177.584 0.001 0.000 1.135 13 A CA 2.143 54.180 52.037 0.001 0.000 0.990 13 A CB -2.149 16.852 19.000 0.002 0.000 1.026 13 A HN 2.155 nan 8.150 nan 0.000 0.763 14 A N -1.199 121.622 122.820 0.001 0.000 2.248 14 A HA 0.224 4.544 4.320 0.000 0.000 0.210 14 A C 1.741 179.325 177.584 -0.000 0.000 1.174 14 A CA 1.653 53.691 52.037 0.001 0.000 0.750 14 A CB -0.426 18.574 19.000 0.001 0.000 0.780 14 A HN 1.642 nan 8.150 nan 0.000 0.478 15 L N 0.012 121.235 121.223 -0.000 0.000 2.127 15 L HA -0.179 4.161 4.340 0.000 0.000 0.211 15 L C 2.707 179.576 176.870 -0.001 0.000 1.089 15 L CA 2.540 57.379 54.840 -0.001 0.000 0.757 15 L CB -0.872 41.187 42.059 -0.001 0.000 0.899 15 L HN 0.475 nan 8.230 nan 0.000 0.434 16 R N 0.153 120.652 120.500 -0.000 0.000 2.094 16 R HA -0.267 4.073 4.340 0.000 0.000 0.239 16 R C 2.139 178.438 176.300 -0.002 0.000 1.137 16 R CA 2.191 58.291 56.100 -0.000 0.000 0.943 16 R CB -2.236 28.064 30.300 0.001 0.000 0.850 16 R HN 0.796 nan 8.270 nan 0.000 0.433 17 N N -0.230 118.468 118.700 -0.003 0.000 2.043 17 N HA -0.266 4.474 4.740 0.000 0.000 0.193 17 N C 2.208 177.713 175.510 -0.009 0.000 1.037 17 N CA 1.745 54.791 53.050 -0.006 0.000 0.851 17 N CB -0.112 38.372 38.487 -0.005 0.000 1.027 17 N HN 0.719 nan 8.380 nan 0.000 0.422 18 Q N 0.137 119.933 119.800 -0.007 0.000 2.112 18 Q HA -0.222 4.118 4.340 0.000 0.000 0.206 18 Q C 2.207 178.202 176.000 -0.008 0.000 0.987 18 Q CA 1.760 57.558 55.803 -0.008 0.000 0.858 18 Q CB -0.101 28.634 28.738 -0.006 0.000 0.905 18 Q HN 0.570 nan 8.270 nan 0.000 0.420 19 Q N -0.147 119.650 119.800 -0.006 0.000 2.123 19 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 19 Q C 2.189 178.185 176.000 -0.006 0.000 0.966 19 Q CA 1.076 56.877 55.803 -0.005 0.000 0.845 19 Q CB -0.172 28.564 28.738 -0.002 0.000 0.907 19 Q HN 0.393 nan 8.270 nan 0.000 0.439 20 A N 1.020 123.836 122.820 -0.007 0.000 1.902 20 A HA -0.177 4.143 4.320 0.000 0.000 0.217 20 A C 2.094 179.669 177.584 -0.015 0.000 1.181 20 A CA 1.231 53.263 52.037 -0.009 0.000 0.623 20 A CB -0.361 18.634 19.000 -0.009 0.000 0.818 20 A HN 0.224 nan 8.150 nan 0.000 0.443 21 M N -0.425 119.164 119.600 -0.019 0.000 2.117 21 M HA -0.132 4.348 4.480 0.000 0.000 0.262 21 M C 2.539 178.827 176.300 -0.020 0.000 1.065 21 M CA 1.678 56.963 55.300 -0.026 0.000 1.114 21 M CB -1.457 31.127 32.600 -0.027 0.000 1.361 21 M HN 0.495 nan 8.290 nan 0.000 0.408 22 A N 0.130 122.941 122.820 -0.014 0.000 1.902 22 A HA 0.014 4.334 4.320 0.000 0.000 0.217 22 A C 2.415 179.994 177.584 -0.008 0.000 1.181 22 A CA 2.058 54.089 52.037 -0.010 0.000 0.623 22 A CB -0.863 18.133 19.000 -0.007 0.000 0.818 22 A HN 0.484 nan 8.150 nan 0.000 0.443 23 A N 0.177 122.993 122.820 -0.006 0.000 1.930 23 A HA -0.197 4.123 4.320 0.000 0.000 0.217 23 A C 2.079 179.661 177.584 -0.003 0.000 1.175 23 A CA 1.661 53.697 52.037 -0.002 0.000 0.627 23 A CB -0.707 18.293 19.000 0.000 0.000 0.815 23 A HN 0.677 nan 8.150 nan 0.000 0.443 24 N N 0.284 118.978 118.700 -0.010 0.000 2.084 24 N HA -0.128 4.612 4.740 0.000 0.000 0.190 24 N C 1.809 177.311 175.510 -0.014 0.000 1.030 24 N CA 1.624 54.666 53.050 -0.014 0.000 0.849 24 N CB -0.221 38.249 38.487 -0.028 0.000 1.012 24 N HN 0.498 nan 8.380 nan 0.000 0.423 25 L N 0.935 122.148 121.223 -0.017 0.000 2.017 25 L HA -0.166 4.174 4.340 0.000 0.000 0.208 25 L C 2.873 179.740 176.870 -0.005 0.000 1.073 25 L CA 1.096 55.928 54.840 -0.014 0.000 0.745 25 L CB -0.639 41.411 42.059 -0.015 0.000 0.894 25 L HN 0.257 nan 8.230 nan 0.000 0.432 26 Q N -0.103 119.695 119.800 -0.003 0.000 2.061 26 Q HA -0.232 4.108 4.340 0.000 0.000 0.204 26 Q C 2.361 178.365 176.000 0.007 0.000 0.984 26 Q CA 2.120 57.925 55.803 0.002 0.000 0.846 26 Q CB -0.313 28.426 28.738 0.002 0.000 0.902 26 Q HN 0.554 nan 8.270 nan 0.000 0.421 27 A N 0.909 123.734 122.820 0.009 0.000 1.930 27 A HA -0.196 4.124 4.320 0.000 0.000 0.217 27 A C 2.148 179.744 177.584 0.019 0.000 1.175 27 A CA 1.531 53.578 52.037 0.018 0.000 0.627 27 A CB -0.554 18.459 19.000 0.021 0.000 0.815 27 A HN 0.315 nan 8.150 nan 0.000 0.443 28 R N -0.304 120.203 120.500 0.011 0.000 2.083 28 R HA -0.218 4.122 4.340 0.000 0.000 0.237 28 R C 2.302 178.610 176.300 0.013 0.000 1.137 28 R CA 2.067 58.173 56.100 0.011 0.000 0.951 28 R CB -0.387 29.913 30.300 0.000 0.000 0.851 28 R HN 0.681 nan 8.270 nan 0.000 0.434 29 Q N 0.156 119.962 119.800 0.009 0.000 2.096 29 Q HA -0.157 4.183 4.340 0.000 0.000 0.204 29 Q C 2.233 178.241 176.000 0.014 0.000 0.982 29 Q CA 1.969 57.777 55.803 0.009 0.000 0.850 29 Q CB -0.135 28.607 28.738 0.006 0.000 0.901 29 Q HN 0.449 nan 8.270 nan 0.000 0.422 30 I N -0.248 120.332 120.570 0.017 0.000 2.226 30 I HA -0.262 3.908 4.170 0.000 0.000 0.245 30 I C 2.186 178.321 176.117 0.030 0.000 1.100 30 I CA 0.800 62.113 61.300 0.021 0.000 1.374 30 I CB -0.297 37.715 38.000 0.020 0.000 1.057 30 I HN 0.058 nan 8.210 nan 0.000 0.413 31 V N 1.169 121.104 119.914 0.036 0.000 2.295 31 V HA -0.279 3.841 4.120 0.000 0.000 0.246 31 V C 2.402 178.520 176.094 0.040 0.000 1.049 31 V CA 1.795 64.124 62.300 0.049 0.000 1.024 31 V CB -0.436 31.419 31.823 0.053 0.000 0.648 31 V HN 0.364 nan 8.190 nan 0.000 0.447 32 L N -0.538 120.700 121.223 0.025 0.000 2.083 32 L HA -0.218 4.122 4.340 0.000 0.000 0.209 32 L C 2.591 179.470 176.870 0.015 0.000 1.083 32 L CA 1.668 56.515 54.840 0.012 0.000 0.752 32 L CB -0.521 41.540 42.059 0.003 0.000 0.899 32 L HN 0.366 nan 8.230 nan 0.000 0.433 33 Q N -0.466 119.347 119.800 0.021 0.000 2.083 33 Q HA -0.166 4.174 4.340 0.000 0.000 0.198 33 Q C 2.215 178.240 176.000 0.041 0.000 0.969 33 Q CA 1.454 57.273 55.803 0.026 0.000 0.838 33 Q CB 0.094 28.844 28.738 0.020 0.000 0.900 33 Q HN 0.340 nan 8.270 nan 0.000 0.436 34 Q N -0.058 119.769 119.800 0.045 0.000 2.204 34 Q HA 0.108 4.448 4.340 0.000 0.000 0.198 34 Q C 0.855 176.905 176.000 0.083 0.000 0.946 34 Q CA 0.812 56.648 55.803 0.055 0.000 0.859 34 Q CB -0.034 28.729 28.738 0.042 0.000 0.946 34 Q HN 0.420 nan 8.270 nan 0.000 0.474 35 S N -0.459 115.293 115.700 0.087 0.000 2.634 35 S HA 0.303 4.773 4.470 0.000 0.000 0.261 35 S C -0.560 174.130 174.600 0.149 0.000 1.271 35 S CA -0.632 57.637 58.200 0.115 0.000 0.985 35 S CB 0.785 64.044 63.200 0.098 0.000 0.968 35 S HN 0.198 nan 8.310 nan 0.000 0.568 36 Y N 1.719 122.027 120.300 0.013 0.000 2.376 36 Y HA 0.532 5.082 4.550 0.000 0.000 0.340 36 Y C -2.639 173.229 175.900 -0.053 0.000 0.965 36 Y CA -2.364 55.726 58.100 -0.016 0.000 1.078 36 Y CB 2.126 40.578 38.460 -0.014 0.000 1.193 36 Y HN 0.532 nan 8.280 nan 0.000 0.452 37 P HA 0.210 nan 4.420 nan 0.000 0.276 37 P C -1.308 175.730 177.300 -0.437 0.000 1.230 37 P CA 0.102 62.922 63.100 -0.466 0.000 0.776 37 P CB 1.946 33.379 31.700 -0.444 0.000 0.888 38 V N 4.990 124.638 119.914 -0.444 0.000 2.760 38 V HA 0.460 4.580 4.120 0.000 0.000 0.309 38 V C 0.076 175.931 176.094 -0.399 0.000 1.077 38 V CA -0.753 61.280 62.300 -0.445 0.000 0.910 38 V CB 2.410 33.796 31.823 -0.729 0.000 1.008 38 V HN 0.522 nan 8.190 nan 0.000 0.424 39 I N 3.599 124.083 120.570 -0.143 0.000 2.447 39 I HA 0.624 4.794 4.170 0.000 0.000 0.287 39 I C -0.738 175.476 176.117 0.162 0.000 1.023 39 I CA -0.039 61.278 61.300 0.028 0.000 1.083 39 I CB 1.463 39.481 38.000 0.031 0.000 1.245 39 I HN 0.834 nan 8.210 nan 0.000 0.434 40 Q N 6.462 126.446 119.800 0.307 0.000 2.331 40 Q HA 0.315 4.655 4.340 0.000 0.000 0.272 40 Q C -1.359 174.862 176.000 0.369 0.000 1.062 40 Q CA -0.764 55.250 55.803 0.353 0.000 0.806 40 Q CB 2.232 31.180 28.738 0.349 0.000 1.312 40 Q HN 0.737 nan 8.270 nan 0.000 0.431 41 Q N 1.911 121.863 119.800 0.254 0.000 2.337 41 Q HA 0.154 4.494 4.340 0.000 0.000 0.270 41 Q C 0.161 176.167 176.000 0.011 0.000 1.002 41 Q CA 0.160 55.898 55.803 -0.108 0.000 0.888 41 Q CB 0.975 29.567 28.738 -0.242 0.000 1.222 41 Q HN 0.647 nan 8.270 nan 0.000 0.400 42 V N 0.062 119.978 119.914 0.004 0.000 3.484 42 V HA 0.414 4.534 4.120 0.000 0.000 0.252 42 V C 0.142 176.255 176.094 0.031 0.000 1.282 42 V CA 0.512 62.850 62.300 0.063 0.000 1.104 42 V CB 0.348 32.254 31.823 0.138 0.000 0.868 42 V HN 0.841 nan 8.190 nan 0.000 0.457 43 E N -0.771 119.428 120.200 -0.001 0.000 2.388 43 E HA 0.505 4.855 4.350 0.000 0.000 0.282 43 E C -1.557 174.995 176.600 -0.080 0.000 1.026 43 E CA -0.174 56.225 56.400 -0.000 0.000 0.820 43 E CB 2.313 32.073 29.700 0.099 0.000 1.226 43 E HN 0.188 nan 8.360 nan 0.000 0.432 44 T N 2.360 116.797 114.554 -0.194 0.000 2.933 44 T HA 0.474 4.824 4.350 0.000 0.000 0.305 44 T C -1.703 172.700 174.700 -0.494 0.000 1.092 44 T CA -0.308 61.571 62.100 -0.368 0.000 1.008 44 T CB 1.529 70.261 68.868 -0.228 0.000 1.102 44 T HN 0.417 nan 8.240 nan 0.000 0.469 45 Q N 1.891 121.195 119.800 -0.827 0.000 2.391 45 Q HA 0.469 4.809 4.340 0.000 0.000 0.279 45 Q C -1.456 174.281 176.000 -0.438 0.000 1.028 45 Q CA -0.876 54.569 55.803 -0.598 0.000 0.836 45 Q CB 2.769 31.103 28.738 -0.674 0.000 1.414 45 Q HN 0.646 nan 8.270 nan 0.000 0.397 46 T N 2.566 117.011 114.554 -0.182 0.000 2.829 46 T HA 0.776 5.126 4.350 0.000 0.000 0.280 46 T C -1.015 173.705 174.700 0.032 0.000 0.999 46 T CA -0.423 61.592 62.100 -0.141 0.000 0.983 46 T CB 0.401 69.191 68.868 -0.131 0.000 0.968 46 T HN 0.444 nan 8.240 nan 0.000 0.446 47 F N -0.141 119.726 119.950 -0.139 0.000 2.711 47 F HA 0.739 5.266 4.527 0.000 0.000 0.313 47 F C -1.412 174.373 175.800 -0.025 0.000 1.141 47 F CA -1.401 56.581 58.000 -0.029 0.000 0.941 47 F CB 1.130 40.190 39.000 0.101 0.000 1.349 47 F HN 0.298 nan 8.300 nan 0.000 0.464 48 D N 1.831 122.343 120.400 0.187 0.000 2.329 48 D HA 0.431 5.071 4.640 0.000 0.000 0.232 48 D C -2.106 174.349 176.300 0.258 0.000 1.088 48 D CA -2.549 51.507 54.000 0.093 0.000 0.835 48 D CB 2.097 42.961 40.800 0.107 0.000 1.078 48 D HN 0.218 nan 8.370 nan 0.000 0.495 49 P HA -0.095 nan 4.420 nan 0.000 0.221 49 P C 0.888 178.320 177.300 0.219 0.000 1.145 49 P CA 1.017 64.268 63.100 0.252 0.000 0.795 49 P CB 0.285 31.991 31.700 0.011 0.000 0.775 50 A N -0.632 122.302 122.820 0.189 0.000 2.015 50 A HA -0.181 4.139 4.320 0.000 0.000 0.219 50 A C 2.065 179.723 177.584 0.123 0.000 1.163 50 A CA 1.588 53.717 52.037 0.153 0.000 0.646 50 A CB -0.927 18.153 19.000 0.134 0.000 0.806 50 A HN 0.153 nan 8.150 nan 0.000 0.448 51 N N -0.357 118.425 118.700 0.136 0.000 2.305 51 N HA 0.038 4.778 4.740 0.000 0.000 0.179 51 N C 0.591 176.138 175.510 0.062 0.000 1.019 51 N CA 1.073 54.181 53.050 0.096 0.000 0.869 51 N CB 0.063 38.613 38.487 0.105 0.000 1.000 51 N HN 0.772 nan 8.380 nan 0.000 0.431 52 R N -1.386 119.174 120.500 0.101 0.000 2.664 52 R HA 0.441 4.781 4.340 0.000 0.000 0.266 52 R C -0.541 175.768 176.300 0.016 0.000 1.046 52 R CA -0.514 55.561 56.100 -0.042 0.000 0.885 52 R CB 0.905 31.062 30.300 -0.238 0.000 1.254 52 R HN -0.038 nan 8.270 nan 0.000 0.465 53 S N -0.466 115.195 115.700 -0.065 0.000 2.744 53 S HA 0.188 4.658 4.470 0.000 0.000 0.265 53 S C -0.121 174.556 174.600 0.129 0.000 1.065 53 S CA -0.167 58.112 58.200 0.131 0.000 1.191 53 S CB 0.787 64.114 63.200 0.211 0.000 1.150 53 S HN 0.243 nan 8.310 nan 0.000 0.646 54 V N 2.952 122.755 119.914 -0.185 0.000 2.398 54 V HA 0.665 4.785 4.120 0.000 0.000 0.286 54 V C -1.207 174.604 176.094 -0.472 0.000 1.026 54 V CA -0.434 61.767 62.300 -0.165 0.000 0.868 54 V CB 0.840 32.570 31.823 -0.156 0.000 0.982 54 V HN 0.401 nan 8.190 nan 0.000 0.443 55 F N 1.616 121.494 119.950 -0.119 0.000 2.576 55 F HA 0.541 5.068 4.527 0.000 0.000 0.313 55 F C 0.082 175.800 175.800 -0.136 0.000 1.078 55 F CA -0.860 57.070 58.000 -0.116 0.000 0.921 55 F CB 2.087 41.029 39.000 -0.096 0.000 1.232 55 F HN 0.392 nan 8.300 nan 0.000 0.459 56 D N 2.387 122.817 120.400 0.049 0.000 2.471 56 D HA 0.387 5.027 4.640 0.000 0.000 0.245 56 D C -1.012 175.297 176.300 0.014 0.000 1.116 56 D CA -0.116 53.874 54.000 -0.017 0.000 0.853 56 D CB 2.580 43.346 40.800 -0.057 0.000 1.123 56 D HN 0.107 nan 8.370 nan 0.000 0.540 57 V N 2.173 122.069 119.914 -0.031 0.000 2.481 57 V HA 0.258 4.378 4.120 0.000 0.000 0.286 57 V C 0.598 176.664 176.094 -0.047 0.000 1.042 57 V CA -0.253 62.038 62.300 -0.015 0.000 0.928 57 V CB 1.750 33.538 31.823 -0.059 0.000 0.986 57 V HN 0.465 nan 8.190 nan 0.000 0.462 58 T N 7.258 121.808 114.554 -0.007 0.000 2.853 58 T HA 0.372 4.722 4.350 0.000 0.000 0.317 58 T C -2.139 172.575 174.700 0.024 0.000 1.059 58 T CA -0.770 61.325 62.100 -0.009 0.000 0.954 58 T CB 1.053 69.919 68.868 -0.005 0.000 0.994 58 T HN 0.568 nan 8.240 nan 0.000 0.479 59 P HA 0.467 nan 4.420 nan 0.000 0.277 59 P C -0.573 176.782 177.300 0.091 0.000 1.271 59 P CA -0.656 62.527 63.100 0.138 0.000 0.795 59 P CB 0.697 32.595 31.700 0.330 0.000 1.101 60 A N 1.463 124.326 122.820 0.072 0.000 2.371 60 A HA 0.222 4.542 4.320 0.000 0.000 0.257 60 A C 0.374 177.926 177.584 -0.052 0.000 1.089 60 A CA -0.442 51.588 52.037 -0.010 0.000 0.794 60 A CB -0.458 18.509 19.000 -0.056 0.000 1.029 60 A HN 0.489 nan 8.150 nan 0.000 0.488 61 N N 1.428 120.090 118.700 -0.063 0.000 3.083 61 N HA 0.344 5.084 4.740 0.000 0.000 0.260 61 N C -1.305 174.129 175.510 -0.126 0.000 1.163 61 N CA 0.130 53.138 53.050 -0.071 0.000 1.060 61 N CB 0.966 39.430 38.487 -0.039 0.000 1.345 61 N HN 0.282 nan 8.380 nan 0.000 0.515 62 V N 0.316 120.087 119.914 -0.238 0.000 2.447 62 V HA 0.612 4.732 4.120 0.000 0.000 0.292 62 V C 0.890 176.852 176.094 -0.220 0.000 1.021 62 V CA -0.543 61.591 62.300 -0.277 0.000 0.850 62 V CB 0.907 32.450 31.823 -0.467 0.000 1.005 62 V HN 0.740 nan 8.190 nan 0.000 0.426 63 G N 5.496 114.255 108.800 -0.068 0.000 2.566 63 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 63 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 63 G C -0.200 174.712 174.900 0.019 0.000 1.225 63 G CA 0.182 45.292 45.100 0.017 0.000 0.966 63 G HN 0.747 nan 8.290 nan 0.000 0.560 64 I N 0.934 121.553 120.570 0.081 0.000 2.304 64 I HA 0.390 4.560 4.170 0.000 0.000 0.291 64 I C 0.465 176.633 176.117 0.085 0.000 1.018 64 I CA -0.721 60.617 61.300 0.064 0.000 1.260 64 I CB 1.521 39.561 38.000 0.066 0.000 1.390 64 I HN 0.334 nan 8.210 nan 0.000 0.475 65 V N 7.760 127.690 119.914 0.026 0.000 2.461 65 V HA 0.170 4.290 4.120 0.000 0.000 0.275 65 V C 0.951 176.999 176.094 -0.078 0.000 1.047 65 V CA -0.284 61.996 62.300 -0.034 0.000 0.955 65 V CB 1.111 32.871 31.823 -0.106 0.000 0.988 65 V HN 0.753 nan 8.190 nan 0.000 0.471 66 K N 2.982 123.341 120.400 -0.069 0.000 2.276 66 K HA 0.449 4.769 4.320 0.000 0.000 0.198 66 K C 0.821 177.353 176.600 -0.114 0.000 1.052 66 K CA 0.721 57.008 56.287 -0.001 0.000 0.984 66 K CB 0.720 33.299 32.500 0.132 0.000 0.836 66 K HN 0.904 nan 8.250 nan 0.000 0.490 67 G N 0.190 108.708 108.800 -0.470 0.000 2.315 67 G HA2 0.359 4.319 3.960 0.000 0.000 0.294 67 G HA3 0.359 4.319 3.960 0.000 0.000 0.294 67 G C -1.982 172.067 174.900 -1.417 0.000 1.300 67 G CA -1.010 43.465 45.100 -1.041 0.000 0.843 67 G HN -0.007 nan 8.290 nan 0.000 0.527 68 F N -0.476 118.869 119.950 -1.008 0.000 2.547 68 F HA 0.664 5.191 4.527 0.000 0.000 0.316 68 F C -0.236 175.436 175.800 -0.214 0.000 1.121 68 F CA -0.823 56.936 58.000 -0.401 0.000 0.911 68 F CB 2.343 41.209 39.000 -0.223 0.000 1.179 68 F HN 0.420 nan 8.300 nan 0.000 0.443 69 L N 4.450 125.938 121.223 0.442 0.000 2.272 69 L HA 0.719 5.059 4.340 0.000 0.000 0.289 69 L C -1.047 176.168 176.870 0.575 0.000 1.032 69 L CA -0.517 54.720 54.840 0.662 0.000 0.810 69 L CB 1.129 43.609 42.059 0.702 0.000 1.205 69 L HN 0.400 nan 8.230 nan 0.000 0.422 70 V N 5.684 125.902 119.914 0.506 0.000 2.357 70 V HA 0.397 4.517 4.120 0.000 0.000 0.284 70 V C 0.046 176.326 176.094 0.309 0.000 1.018 70 V CA -0.806 61.728 62.300 0.390 0.000 0.841 70 V CB 1.175 33.164 31.823 0.277 0.000 0.991 70 V HN 0.722 nan 8.190 nan 0.000 0.437 71 K N 4.296 124.794 120.400 0.164 0.000 2.201 71 K HA 0.694 5.014 4.320 0.000 0.000 0.278 71 K C -1.337 175.242 176.600 -0.034 0.000 1.027 71 K CA -0.366 55.746 56.287 -0.291 0.000 0.909 71 K CB 1.536 33.900 32.500 -0.226 0.000 1.062 71 K HN 0.502 nan 8.250 nan 0.000 0.465 72 V N 3.502 123.373 119.914 -0.072 0.000 2.531 72 V HA 0.360 4.480 4.120 0.000 0.000 0.301 72 V C -0.303 175.802 176.094 0.018 0.000 1.034 72 V CA -0.843 61.517 62.300 0.100 0.000 0.865 72 V CB 1.619 33.625 31.823 0.305 0.000 0.995 72 V HN 1.013 nan 8.190 nan 0.000 0.424 73 T N 1.263 115.819 114.554 0.002 0.000 2.916 73 T HA 0.972 5.322 4.350 0.000 0.000 0.292 73 T C -0.488 174.215 174.700 0.005 0.000 1.055 73 T CA -0.466 61.639 62.100 0.008 0.000 1.009 73 T CB 2.345 71.209 68.868 -0.008 0.000 1.118 73 T HN 1.437 nan 8.240 nan 0.000 0.497 74 A N 0.484 123.344 122.820 0.067 0.000 2.612 74 A HA 0.910 5.230 4.320 0.000 0.000 0.293 74 A C -1.083 176.585 177.584 0.140 0.000 1.075 74 A CA -0.753 51.355 52.037 0.119 0.000 0.680 74 A CB 1.172 20.358 19.000 0.309 0.000 1.279 74 A HN 1.730 nan 8.150 nan 0.000 0.411 75 A N 1.078 123.988 122.820 0.150 0.000 2.330 75 A HA 0.776 5.096 4.320 0.000 0.000 0.313 75 A C -0.921 176.730 177.584 0.111 0.000 1.124 75 A CA -0.272 51.822 52.037 0.094 0.000 0.774 75 A CB 0.424 19.451 19.000 0.045 0.000 1.198 75 A HN 0.771 nan 8.150 nan 0.000 0.465 76 I N 1.969 122.549 120.570 0.018 0.000 2.436 76 I HA 0.375 4.545 4.170 0.000 0.000 0.289 76 I C -0.303 175.717 176.117 -0.163 0.000 1.010 76 I CA -0.257 60.982 61.300 -0.103 0.000 1.098 76 I CB 2.581 40.486 38.000 -0.158 0.000 1.266 76 I HN 0.561 nan 8.210 nan 0.000 0.434 77 T N 4.173 118.616 114.554 -0.185 0.000 2.797 77 T HA 0.243 4.593 4.350 0.000 0.000 0.279 77 T C -0.176 174.364 174.700 -0.267 0.000 0.991 77 T CA -0.566 61.425 62.100 -0.182 0.000 0.979 77 T CB 1.038 69.839 68.868 -0.111 0.000 0.943 77 T HN 0.411 nan 8.240 nan 0.000 0.444 78 N N 2.881 121.433 118.700 -0.247 0.000 2.500 78 N HA 0.136 4.876 4.740 0.000 0.000 0.236 78 N C 0.383 175.808 175.510 -0.142 0.000 1.022 78 N CA -0.462 52.440 53.050 -0.247 0.000 0.935 78 N CB 0.248 38.599 38.487 -0.228 0.000 1.147 78 N HN 0.394 nan 8.380 nan 0.000 0.512 79 N N 1.433 120.055 118.700 -0.129 0.000 2.461 79 N HA -0.084 4.656 4.740 0.000 0.000 0.188 79 N C -0.156 175.321 175.510 -0.055 0.000 1.134 79 N CA 0.076 53.075 53.050 -0.085 0.000 0.878 79 N CB -0.155 38.279 38.487 -0.088 0.000 0.972 79 N HN 0.647 nan 8.380 nan 0.000 0.456 80 H N 0.455 119.458 119.070 -0.113 0.000 2.897 80 H HA 0.165 4.721 4.556 0.000 0.000 0.347 80 H C 1.285 176.574 175.328 -0.065 0.000 1.068 80 H CA 0.319 56.317 56.048 -0.084 0.000 1.426 80 H CB 1.033 30.745 29.762 -0.084 0.000 1.410 80 H HN 0.103 nan 8.280 nan 0.000 0.597 81 A N 2.736 125.373 122.820 -0.306 0.000 1.930 81 A HA -0.136 4.184 4.320 0.000 0.000 0.217 81 A C 1.964 179.568 177.584 0.033 0.000 1.175 81 A CA 2.105 54.066 52.037 -0.126 0.000 0.627 81 A CB -0.465 18.425 19.000 -0.184 0.000 0.815 81 A HN 0.873 nan 8.150 nan 0.000 0.443 82 T N -4.859 109.841 114.554 0.244 0.000 3.010 82 T HA 0.195 4.545 4.350 0.000 0.000 0.253 82 T C 0.272 175.053 174.700 0.135 0.000 0.939 82 T CA -0.230 61.978 62.100 0.180 0.000 0.910 82 T CB 0.129 69.075 68.868 0.131 0.000 1.226 82 T HN 0.214 nan 8.240 nan 0.000 0.508 83 E N 1.675 121.952 120.200 0.129 0.000 2.242 83 E HA 0.732 5.082 4.350 0.000 0.000 0.275 83 E C -0.283 176.231 176.600 -0.144 0.000 1.002 83 E CA -0.478 55.828 56.400 -0.156 0.000 0.841 83 E CB 1.983 31.419 29.700 -0.440 0.000 1.109 83 E HN 0.523 nan 8.360 nan 0.000 0.394 84 A N 1.674 124.432 122.820 -0.104 0.000 2.239 84 A HA 0.675 4.995 4.320 0.000 0.000 0.303 84 A C -0.081 177.453 177.584 -0.084 0.000 1.114 84 A CA -0.536 51.451 52.037 -0.083 0.000 0.871 84 A CB 0.727 19.701 19.000 -0.044 0.000 1.201 84 A HN 0.401 nan 8.150 nan 0.000 0.506 85 V N -4.001 115.879 119.914 -0.056 0.000 3.078 85 V HA 0.942 5.062 4.120 0.000 0.000 0.311 85 V C -0.232 175.946 176.094 0.141 0.000 1.138 85 V CA -0.326 61.990 62.300 0.026 0.000 1.007 85 V CB 1.118 32.955 31.823 0.022 0.000 1.045 85 V HN 1.883 nan 8.190 nan 0.000 0.432 86 A N 2.618 125.578 122.820 0.232 0.000 2.413 86 A HA 0.860 5.180 4.320 0.000 0.000 0.307 86 A C -0.581 177.132 177.584 0.215 0.000 1.087 86 A CA -0.981 51.204 52.037 0.246 0.000 0.750 86 A CB 1.483 20.544 19.000 0.102 0.000 1.296 86 A HN 1.086 nan 8.150 nan 0.000 0.423 87 L N 1.824 123.064 121.223 0.027 0.000 2.514 87 L HA 0.166 4.506 4.340 0.000 0.000 0.280 87 L C 1.499 178.271 176.870 -0.163 0.000 1.223 87 L CA 0.070 54.716 54.840 -0.322 0.000 0.864 87 L CB 0.552 42.459 42.059 -0.254 0.000 1.118 87 L HN 1.001 nan 8.230 nan 0.000 0.494 88 T N -1.996 112.436 114.554 -0.204 0.000 2.770 88 T HA 0.082 4.432 4.350 0.000 0.000 0.281 88 T C 0.747 175.368 174.700 -0.131 0.000 0.981 88 T CA -0.768 61.231 62.100 -0.167 0.000 0.955 88 T CB 0.759 69.495 68.868 -0.220 0.000 1.060 88 T HN 0.505 nan 8.240 nan 0.000 0.531 89 D N -0.248 120.048 120.400 -0.173 0.000 2.178 89 D HA -0.009 4.631 4.640 0.000 0.000 0.201 89 D C 1.536 177.993 176.300 0.261 0.000 0.980 89 D CA 1.046 55.037 54.000 -0.014 0.000 0.842 89 D CB -0.224 40.519 40.800 -0.095 0.000 0.948 89 D HN 0.469 nan 8.370 nan 0.000 0.472 90 F N 0.180 120.073 119.950 -0.096 0.000 2.473 90 F HA 0.243 4.770 4.527 0.000 0.000 0.294 90 F C 2.192 177.947 175.800 -0.075 0.000 1.103 90 F CA 0.451 58.430 58.000 -0.035 0.000 1.442 90 F CB -0.956 37.999 39.000 -0.074 0.000 1.097 90 F HN -0.021 nan 8.300 nan 0.000 0.547 91 G N 2.655 111.485 108.800 0.049 0.000 2.672 91 G HA2 -0.339 3.621 3.960 0.000 0.000 0.324 91 G HA3 -0.339 3.621 3.960 0.000 0.000 0.324 91 G C -1.118 173.760 174.900 -0.037 0.000 1.286 91 G CA 0.560 45.605 45.100 -0.091 0.000 1.004 91 G HN 0.209 nan 8.290 nan 0.000 0.548 92 P HA 0.025 nan 4.420 nan 0.000 0.225 92 P C 1.627 178.932 177.300 0.008 0.000 1.148 92 P CA 2.367 65.474 63.100 0.012 0.000 0.779 92 P CB -0.385 31.314 31.700 -0.001 0.000 0.780 93 A N 0.050 122.833 122.820 -0.062 0.000 2.172 93 A HA -0.098 4.222 4.320 0.000 0.000 0.216 93 A C 1.847 179.554 177.584 0.206 0.000 1.154 93 A CA 1.007 52.998 52.037 -0.077 0.000 0.701 93 A CB -1.004 17.827 19.000 -0.281 0.000 0.789 93 A HN 0.125 nan 8.150 nan 0.000 0.465 94 N N -0.323 118.501 118.700 0.207 0.000 2.314 94 N HA 0.175 4.915 4.740 0.000 0.000 0.200 94 N C 1.097 176.747 175.510 0.233 0.000 1.135 94 N CA 0.092 53.288 53.050 0.243 0.000 0.835 94 N CB 0.042 38.659 38.487 0.216 0.000 0.989 94 N HN 0.478 nan 8.380 nan 0.000 0.478 95 L N -0.292 121.102 121.223 0.285 0.000 2.141 95 L HA -0.018 4.322 4.340 0.000 0.000 0.209 95 L C 0.344 177.398 176.870 0.307 0.000 1.094 95 L CA 0.828 55.866 54.840 0.331 0.000 0.763 95 L CB 0.172 42.447 42.059 0.360 0.000 0.908 95 L HN -0.112 nan 8.230 nan 0.000 0.437 96 V N 0.011 120.034 119.914 0.181 0.000 2.370 96 V HA 0.120 4.240 4.120 0.000 0.000 0.283 96 V C 0.546 176.544 176.094 -0.159 0.000 1.023 96 V CA -0.526 61.646 62.300 -0.214 0.000 0.857 96 V CB 1.665 33.052 31.823 -0.728 0.000 0.985 96 V HN 0.184 nan 8.190 nan 0.000 0.443 97 Q N 3.552 123.268 119.800 -0.140 0.000 2.089 97 Q HA 0.193 4.533 4.340 0.000 0.000 0.195 97 Q C 0.489 176.391 176.000 -0.164 0.000 0.963 97 Q CA 1.088 56.851 55.803 -0.068 0.000 0.834 97 Q CB 0.382 29.116 28.738 -0.007 0.000 0.906 97 Q HN 0.602 nan 8.270 nan 0.000 0.452 98 R N -0.117 120.239 120.500 -0.239 0.000 2.725 98 R HA 0.571 4.911 4.340 0.000 0.000 0.277 98 R C -1.072 175.027 176.300 -0.334 0.000 0.987 98 R CA -0.575 55.374 56.100 -0.252 0.000 0.901 98 R CB 2.547 32.749 30.300 -0.164 0.000 1.207 98 R HN -0.097 nan 8.270 nan 0.000 0.463 99 V N -0.195 119.532 119.914 -0.311 0.000 2.569 99 V HA 0.668 4.788 4.120 0.000 0.000 0.301 99 V C -0.478 175.474 176.094 -0.236 0.000 1.044 99 V CA -0.781 61.325 62.300 -0.322 0.000 0.874 99 V CB 1.728 33.320 31.823 -0.385 0.000 1.002 99 V HN 0.654 nan 8.190 nan 0.000 0.424 100 I N 5.009 125.459 120.570 -0.201 0.000 2.582 100 I HA 0.560 4.730 4.170 0.000 0.000 0.292 100 I C -1.449 174.565 176.117 -0.171 0.000 1.066 100 I CA -0.729 60.460 61.300 -0.184 0.000 1.053 100 I CB 2.528 40.453 38.000 -0.124 0.000 1.241 100 I HN 0.818 nan 8.210 nan 0.000 0.421 101 Y N 6.114 126.191 120.300 -0.372 0.000 2.409 101 Y HA 0.614 5.164 4.550 0.000 0.000 0.343 101 Y C -1.757 173.873 175.900 -0.451 0.000 0.973 101 Y CA -0.768 57.137 58.100 -0.325 0.000 1.064 101 Y CB 1.493 39.789 38.460 -0.274 0.000 1.207 101 Y HN 0.368 nan 8.280 nan 0.000 0.452 102 Y N 4.175 123.894 120.300 -0.969 0.000 2.391 102 Y HA 0.298 4.848 4.550 0.000 0.000 0.341 102 Y C -0.276 175.023 175.900 -1.001 0.000 0.965 102 Y CA -1.126 56.588 58.100 -0.644 0.000 1.067 102 Y CB 1.318 39.574 38.460 -0.340 0.000 1.199 102 Y HN 0.718 nan 8.280 nan 0.000 0.450 103 D N 2.512 122.714 120.400 -0.330 0.000 2.433 103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 103 D C -2.220 174.059 176.300 -0.035 0.000 1.226 103 D CA -2.238 51.684 54.000 -0.130 0.000 1.015 103 D CB 0.333 41.234 40.800 0.168 0.000 1.091 103 D HN 0.158 nan 8.370 nan 0.000 0.527 104 P HA -0.085 nan 4.420 nan 0.000 0.219 104 P C 0.127 177.437 177.300 0.015 0.000 1.146 104 P CA 1.120 64.225 63.100 0.008 0.000 0.808 104 P CB 0.084 31.796 31.700 0.020 0.000 0.779 105 D N -1.378 119.049 120.400 0.045 0.000 2.328 105 D HA 0.020 4.660 4.640 0.000 0.000 0.226 105 D C 0.264 176.594 176.300 0.050 0.000 1.066 105 D CA 0.194 54.221 54.000 0.045 0.000 0.861 105 D CB -0.617 40.220 40.800 0.062 0.000 0.912 105 D HN 0.043 nan 8.370 nan 0.000 0.521 106 N N 0.907 119.637 118.700 0.051 0.000 2.776 106 N HA -0.170 4.570 4.740 0.000 0.000 0.250 106 N C -0.493 175.131 175.510 0.191 0.000 1.112 106 N CA 0.574 53.667 53.050 0.072 0.000 0.733 106 N CB -0.986 37.495 38.487 -0.010 0.000 1.097 106 N HN 0.374 nan 8.380 nan 0.000 0.558 107 Q N 0.581 120.494 119.800 0.189 0.000 2.267 107 Q HA 0.236 4.576 4.340 0.000 0.000 0.255 107 Q C 0.678 176.801 176.000 0.206 0.000 0.923 107 Q CA -0.244 55.667 55.803 0.181 0.000 0.925 107 Q CB 1.800 30.614 28.738 0.127 0.000 1.195 107 Q HN 0.222 nan 8.270 nan 0.000 0.417 108 R N 2.492 123.037 120.500 0.075 0.000 2.438 108 R HA 0.147 4.487 4.340 0.000 0.000 0.287 108 R C 0.219 176.489 176.300 -0.049 0.000 1.077 108 R CA 0.196 56.165 56.100 -0.218 0.000 1.034 108 R CB 0.524 30.660 30.300 -0.274 0.000 0.993 108 R HN 0.694 nan 8.270 nan 0.000 0.459 109 H N 0.981 119.958 119.070 -0.155 0.000 4.873 109 H HA 0.149 4.705 4.556 0.000 0.000 0.150 109 H C 0.030 175.251 175.328 -0.178 0.000 1.395 109 H CA -0.472 55.527 56.048 -0.081 0.000 0.838 109 H CB 0.140 29.942 29.762 0.066 0.000 1.471 109 H HN 0.443 nan 8.280 nan 0.000 0.374 110 T N 1.782 116.313 114.554 -0.039 0.000 2.928 110 T HA 0.013 4.363 4.350 0.000 0.000 0.305 110 T C 0.236 174.844 174.700 -0.154 0.000 1.035 110 T CA 0.603 62.603 62.100 -0.167 0.000 1.145 110 T CB 0.240 68.971 68.868 -0.229 0.000 0.963 110 T HN 0.370 nan 8.240 nan 0.000 0.545 111 E N 2.405 122.525 120.200 -0.133 0.000 2.649 111 E HA 0.338 4.688 4.350 0.000 0.000 0.310 111 E C -1.019 175.527 176.600 -0.090 0.000 1.036 111 E CA -0.339 55.989 56.400 -0.119 0.000 0.772 111 E CB 1.096 30.746 29.700 -0.083 0.000 1.513 111 E HN 0.660 nan 8.360 nan 0.000 0.384 112 T N 0.621 115.089 114.554 -0.142 0.000 2.671 112 T HA 0.433 4.783 4.350 0.000 0.000 0.300 112 T C -0.848 173.694 174.700 -0.263 0.000 1.238 112 T CA -0.301 61.708 62.100 -0.151 0.000 1.020 112 T CB 1.564 70.404 68.868 -0.048 0.000 1.503 112 T HN 0.189 nan 8.240 nan 0.000 0.497 113 S N 0.063 115.522 115.700 -0.402 0.000 2.632 113 S HA 0.454 4.924 4.470 0.000 0.000 0.271 113 S C 1.579 175.869 174.600 -0.517 0.000 1.260 113 S CA -0.105 57.783 58.200 -0.520 0.000 1.010 113 S CB 1.107 63.776 63.200 -0.886 0.000 0.965 113 S HN 0.899 nan 8.310 nan 0.000 0.534 114 G N 1.559 110.132 108.800 -0.379 0.000 2.418 114 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 114 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 114 G C 1.358 176.219 174.900 -0.065 0.000 1.158 114 G CA 0.751 45.687 45.100 -0.274 0.000 0.771 114 G HN 0.897 nan 8.290 nan 0.000 0.545 115 W N 0.226 121.469 121.300 -0.094 0.000 2.363 115 W HA -0.060 4.600 4.660 0.000 0.000 0.296 115 W C 1.804 178.002 176.519 -0.534 0.000 1.212 115 W CA 0.881 57.969 57.345 -0.427 0.000 1.260 115 W CB -1.100 28.060 29.460 -0.500 0.000 1.131 115 W HN 0.425 nan 8.180 nan 0.000 0.530 116 H N 1.187 119.840 119.070 -0.695 0.000 2.326 116 H HA -0.182 4.374 4.556 0.000 0.000 0.301 116 H C 2.373 177.576 175.328 -0.208 0.000 1.081 116 H CA 1.795 57.586 56.048 -0.430 0.000 1.334 116 H CB -0.104 29.215 29.762 -0.737 0.000 1.385 116 H HN 0.105 nan 8.280 nan 0.000 0.504 117 L N 1.019 121.996 121.223 -0.411 0.000 2.012 117 L HA -0.212 4.128 4.340 0.000 0.000 0.210 117 L C 2.555 179.322 176.870 -0.173 0.000 1.073 117 L CA 2.450 57.090 54.840 -0.335 0.000 0.748 117 L CB -1.157 40.769 42.059 -0.222 0.000 0.891 117 L HN 0.374 nan 8.230 nan 0.000 0.431 118 H N -1.312 117.676 119.070 -0.136 0.000 2.353 118 H HA -0.189 4.367 4.556 0.000 0.000 0.300 118 H C 1.841 177.148 175.328 -0.035 0.000 1.090 118 H CA 2.205 58.173 56.048 -0.134 0.000 1.327 118 H CB -0.333 29.326 29.762 -0.171 0.000 1.383 118 H HN 0.348 nan 8.280 nan 0.000 0.508 119 F N -0.276 119.583 119.950 -0.151 0.000 2.216 119 F HA -0.099 4.428 4.527 0.000 0.000 0.300 119 F C 2.639 178.387 175.800 -0.086 0.000 1.085 119 F CA 0.836 58.794 58.000 -0.069 0.000 1.326 119 F CB -0.941 38.056 39.000 -0.006 0.000 1.027 119 F HN 0.101 nan 8.300 nan 0.000 0.497 120 V N 0.052 119.969 119.914 0.005 0.000 2.453 120 V HA -0.265 3.855 4.120 0.000 0.000 0.247 120 V C 1.904 177.940 176.094 -0.097 0.000 1.048 120 V CA 1.775 64.057 62.300 -0.029 0.000 1.049 120 V CB -0.846 30.892 31.823 -0.141 0.000 0.672 120 V HN 0.363 nan 8.190 nan 0.000 0.457 121 N N -0.277 118.268 118.700 -0.258 0.000 2.104 121 N HA -0.180 4.560 4.740 0.000 0.000 0.190 121 N C 1.839 177.199 175.510 -0.250 0.000 1.024 121 N CA 1.774 54.537 53.050 -0.478 0.000 0.853 121 N CB -0.199 37.558 38.487 -1.216 0.000 1.008 121 N HN 0.407 nan 8.380 nan 0.000 0.424 122 T N 0.587 115.033 114.554 -0.181 0.000 2.708 122 T HA -0.098 4.252 4.350 0.000 0.000 0.266 122 T C 2.065 176.733 174.700 -0.053 0.000 1.037 122 T CA 1.213 63.282 62.100 -0.051 0.000 1.146 122 T CB -0.333 68.482 68.868 -0.088 0.000 0.865 122 T HN 0.329 nan 8.240 nan 0.000 0.435 123 A N 1.615 124.415 122.820 -0.033 0.000 1.908 123 A HA -0.150 4.170 4.320 0.000 0.000 0.218 123 A C 2.208 179.785 177.584 -0.011 0.000 1.181 123 A CA 1.672 53.656 52.037 -0.089 0.000 0.627 123 A CB -0.417 18.498 19.000 -0.141 0.000 0.818 123 A HN 0.470 nan 8.150 nan 0.000 0.445 124 K N -0.971 119.429 120.400 -0.000 0.000 2.296 124 K HA -0.081 4.239 4.320 0.000 0.000 0.200 124 K C 2.224 178.813 176.600 -0.019 0.000 1.048 124 K CA 1.131 57.411 56.287 -0.012 0.000 0.966 124 K CB -0.027 32.441 32.500 -0.053 0.000 0.754 124 K HN 0.693 nan 8.250 nan 0.000 0.466 125 Q N -0.063 119.742 119.800 0.008 0.000 2.212 125 Q HA -0.061 4.279 4.340 0.000 0.000 0.199 125 Q C 0.754 176.745 176.000 -0.015 0.000 0.950 125 Q CA 1.204 57.019 55.803 0.019 0.000 0.863 125 Q CB 0.382 29.183 28.738 0.105 0.000 0.944 125 Q HN 0.386 nan 8.270 nan 0.000 0.465 126 G N -0.502 108.282 108.800 -0.027 0.000 2.141 126 G HA2 -0.141 3.819 3.960 0.000 0.000 0.231 126 G HA3 -0.141 3.819 3.960 0.000 0.000 0.231 126 G C -0.062 174.797 174.900 -0.067 0.000 0.984 126 G CA 0.174 45.249 45.100 -0.042 0.000 0.660 126 G HN 0.833 nan 8.290 nan 0.000 0.525 127 A N -1.348 121.429 122.820 -0.072 0.000 2.567 127 A HA 0.784 5.104 4.320 0.000 0.000 0.291 127 A C -3.153 174.396 177.584 -0.059 0.000 1.048 127 A CA -0.683 51.303 52.037 -0.085 0.000 0.661 127 A CB 0.610 19.572 19.000 -0.065 0.000 1.288 127 A HN 0.175 nan 8.150 nan 0.000 0.424 128 P HA 0.131 nan 4.420 nan 0.000 0.258 128 P C -0.359 177.004 177.300 0.105 0.000 1.172 128 P CA 0.526 63.638 63.100 0.020 0.000 0.762 128 P CB -0.134 31.580 31.700 0.023 0.000 0.764 129 F N 5.810 125.756 119.950 -0.006 0.000 2.580 129 F HA -0.061 4.466 4.527 0.000 0.000 0.398 129 F C 1.146 176.965 175.800 0.031 0.000 1.023 129 F CA 0.343 58.351 58.000 0.013 0.000 1.188 129 F CB -0.473 38.555 39.000 0.047 0.000 1.005 129 F HN 0.271 nan 8.300 nan 0.000 0.546 130 L N 3.544 124.433 121.223 -0.557 0.000 3.839 130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 130 L C 0.614 177.341 176.870 -0.239 0.000 1.195 130 L CA 0.550 55.070 54.840 -0.534 0.000 0.946 130 L CB -2.389 39.200 42.059 -0.783 0.000 1.891 130 L HN 0.718 nan 8.230 nan 0.000 0.963 131 S N -1.870 113.752 115.700 -0.130 0.000 2.632 131 S HA 0.541 5.011 4.470 0.000 0.000 0.267 131 S C 0.297 174.851 174.600 -0.076 0.000 1.276 131 S CA -0.056 58.104 58.200 -0.065 0.000 0.998 131 S CB 2.202 65.388 63.200 -0.022 0.000 0.953 131 S HN 0.270 nan 8.310 nan 0.000 0.547 132 S N 1.567 117.237 115.700 -0.049 0.000 2.438 132 S HA 0.408 4.878 4.470 0.000 0.000 0.316 132 S C -0.363 174.217 174.600 -0.033 0.000 1.084 132 S CA -0.837 57.337 58.200 -0.042 0.000 1.107 132 S CB -0.032 63.155 63.200 -0.023 0.000 0.981 132 S HN 0.787 nan 8.310 nan 0.000 0.466 133 M N 6.303 125.876 119.600 -0.045 0.000 2.217 133 M HA 0.394 4.874 4.480 0.000 0.000 0.354 133 M C -1.103 175.178 176.300 -0.031 0.000 1.225 133 M CA -0.322 54.953 55.300 -0.042 0.000 1.137 133 M CB 0.632 33.196 32.600 -0.059 0.000 1.576 133 M HN 0.408 nan 8.290 nan 0.000 0.461 134 V N 5.140 125.041 119.914 -0.021 0.000 2.498 134 V HA 0.443 4.563 4.120 0.000 0.000 0.279 134 V C 0.505 176.590 176.094 -0.016 0.000 1.048 134 V CA -0.129 62.165 62.300 -0.010 0.000 0.967 134 V CB 0.928 32.749 31.823 -0.003 0.000 0.988 134 V HN 1.027 nan 8.190 nan 0.000 0.473 135 T N -0.044 114.505 114.554 -0.008 0.000 2.838 135 T HA 0.350 4.700 4.350 0.000 0.000 0.292 135 T C 0.285 174.988 174.700 0.005 0.000 1.113 135 T CA -0.255 61.837 62.100 -0.013 0.000 1.008 135 T CB 1.881 70.727 68.868 -0.037 0.000 1.259 135 T HN 0.621 nan 8.240 nan 0.000 0.520 136 D N -0.126 120.275 120.400 0.003 0.000 2.328 136 D HA 0.080 4.720 4.640 0.000 0.000 0.226 136 D C 0.627 176.943 176.300 0.027 0.000 1.066 136 D CA -0.194 53.814 54.000 0.012 0.000 0.861 136 D CB -0.347 40.457 40.800 0.006 0.000 0.912 136 D HN 0.383 nan 8.370 nan 0.000 0.521 137 S N 1.740 117.466 115.700 0.042 0.000 2.525 137 S HA 0.103 4.573 4.470 0.000 0.000 0.285 137 S C -1.058 173.595 174.600 0.088 0.000 1.283 137 S CA -0.942 57.308 58.200 0.083 0.000 1.072 137 S CB 1.037 64.331 63.200 0.156 0.000 0.867 137 S HN 0.094 nan 8.310 nan 0.000 0.492 138 P HA 0.082 nan 4.420 nan 0.000 0.227 138 P C 0.128 177.445 177.300 0.029 0.000 1.161 138 P CA 0.306 63.429 63.100 0.039 0.000 0.788 138 P CB -0.028 31.688 31.700 0.025 0.000 0.822 139 I N 1.113 121.714 120.570 0.051 0.000 2.648 139 I HA -0.019 4.151 4.170 0.000 0.000 0.284 139 I C 1.353 177.416 176.117 -0.089 0.000 1.153 139 I CA 0.274 61.546 61.300 -0.046 0.000 1.426 139 I CB 0.226 38.194 38.000 -0.053 0.000 1.381 139 I HN -0.276 nan 8.210 nan 0.000 0.571 140 K N 6.450 126.743 120.400 -0.179 0.000 3.233 140 K HA 0.079 4.399 4.320 0.000 0.000 0.283 140 K C -0.760 175.750 176.600 -0.150 0.000 1.209 140 K CA -0.019 56.192 56.287 -0.126 0.000 1.197 140 K CB -0.533 31.911 32.500 -0.093 0.000 1.431 140 K HN 0.363 nan 8.250 nan 0.000 0.326 141 Y N 0.444 120.733 120.300 -0.018 0.000 2.281 141 Y HA 0.327 4.877 4.550 0.000 0.000 0.337 141 Y C 1.536 177.424 175.900 -0.021 0.000 1.304 141 Y CA 0.590 58.676 58.100 -0.023 0.000 1.465 141 Y CB 0.855 39.300 38.460 -0.026 0.000 1.350 141 Y HN 0.433 nan 8.280 nan 0.000 0.575 142 G N 0.096 108.991 108.800 0.158 0.000 2.302 142 G HA2 -0.038 3.922 3.960 0.000 0.000 0.264 142 G HA3 -0.038 3.922 3.960 0.000 0.000 0.264 142 G C -1.736 173.188 174.900 0.041 0.000 1.335 142 G CA -0.817 44.328 45.100 0.075 0.000 0.982 142 G HN 0.531 nan 8.290 nan 0.000 0.473 143 D N 0.610 121.024 120.400 0.024 0.000 2.517 143 D HA 0.453 5.093 4.640 0.000 0.000 0.220 143 D C 1.386 177.694 176.300 0.013 0.000 1.158 143 D CA 0.076 54.085 54.000 0.014 0.000 0.992 143 D CB 0.712 41.520 40.800 0.014 0.000 1.058 143 D HN 0.243 nan 8.370 nan 0.000 0.516 144 V N 2.832 122.753 119.914 0.011 0.000 2.685 144 V HA -0.025 4.095 4.120 0.000 0.000 0.244 144 V C 1.862 177.959 176.094 0.006 0.000 1.054 144 V CA 0.778 63.081 62.300 0.005 0.000 1.076 144 V CB -0.113 31.709 31.823 -0.001 0.000 0.725 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.479 119.124 119.600 0.004 0.000 2.371 145 M HA 0.295 4.775 4.480 0.000 0.000 0.246 145 M C 0.363 176.677 176.300 0.024 0.000 1.103 145 M CA 0.070 55.376 55.300 0.009 0.000 1.010 145 M CB -0.578 32.019 32.600 -0.005 0.000 1.457 145 M HN 0.374 nan 8.290 nan 0.000 0.486 146 N N 1.197 119.911 118.700 0.023 0.000 2.699 146 N HA -0.142 4.598 4.740 0.000 0.000 0.256 146 N C 1.031 176.580 175.510 0.065 0.000 0.993 146 N CA 0.274 53.347 53.050 0.039 0.000 0.759 146 N CB -1.217 37.297 38.487 0.046 0.000 0.906 146 N HN 0.153 nan 8.380 nan 0.000 0.541 147 V N -0.241 119.695 119.914 0.037 0.000 2.287 147 V HA -0.114 4.006 4.120 0.000 0.000 0.248 147 V C 1.405 177.603 176.094 0.174 0.000 1.053 147 V CA 1.569 63.906 62.300 0.062 0.000 1.027 147 V CB 0.010 31.753 31.823 -0.134 0.000 0.646 147 V HN 0.409 nan 8.190 nan 0.000 0.447 148 I N 1.618 122.240 120.570 0.087 0.000 2.410 148 I HA 0.417 4.587 4.170 0.000 0.000 0.286 148 I C -1.350 174.804 176.117 0.062 0.000 1.009 148 I CA -0.444 60.915 61.300 0.099 0.000 1.111 148 I CB 1.659 39.700 38.000 0.069 0.000 1.262 148 I HN 0.375 nan 8.210 nan 0.000 0.443 149 D N 6.022 126.462 120.400 0.067 0.000 2.623 149 D HA 0.778 5.418 4.640 0.000 0.000 0.241 149 D C -1.477 174.866 176.300 0.071 0.000 1.241 149 D CA -0.711 53.325 54.000 0.060 0.000 0.788 149 D CB 2.446 43.283 40.800 0.061 0.000 1.413 149 D HN 0.561 nan 8.370 nan 0.000 0.429 150 A N 0.898 123.765 122.820 0.077 0.000 2.547 150 A HA 0.612 4.932 4.320 0.000 0.000 0.298 150 A C -3.087 174.576 177.584 0.132 0.000 1.062 150 A CA -1.126 50.981 52.037 0.117 0.000 0.748 150 A CB 1.293 20.345 19.000 0.087 0.000 1.288 150 A HN 0.417 nan 8.150 nan 0.000 0.396 151 P HA 0.354 nan 4.420 nan 0.000 0.268 151 P C 1.053 178.481 177.300 0.213 0.000 1.204 151 P CA 0.502 63.697 63.100 0.159 0.000 0.768 151 P CB 1.122 32.899 31.700 0.129 0.000 0.842 152 A N 2.920 125.822 122.820 0.137 0.000 1.972 152 A HA -0.008 4.312 4.320 0.000 0.000 0.219 152 A C 0.970 178.670 177.584 0.193 0.000 1.169 152 A CA 1.929 54.040 52.037 0.124 0.000 0.635 152 A CB -0.933 18.111 19.000 0.073 0.000 0.810 152 A HN 0.649 nan 8.150 nan 0.000 0.446 153 T N -3.664 110.997 114.554 0.178 0.000 2.883 153 T HA 0.680 5.030 4.350 0.000 0.000 0.301 153 T C -0.868 173.857 174.700 0.041 0.000 1.158 153 T CA -0.621 61.566 62.100 0.147 0.000 1.007 153 T CB 1.513 70.421 68.868 0.068 0.000 1.186 153 T HN 0.169 nan 8.240 nan 0.000 0.499 154 I N 1.692 122.211 120.570 -0.085 0.000 2.439 154 I HA 0.578 4.748 4.170 0.000 0.000 0.283 154 I C 0.646 176.684 176.117 -0.132 0.000 1.023 154 I CA -1.144 60.048 61.300 -0.181 0.000 1.100 154 I CB 1.492 39.245 38.000 -0.411 0.000 1.238 154 I HN 1.031 nan 8.210 nan 0.000 0.445 155 A N 4.661 127.431 122.820 -0.083 0.000 2.327 155 A HA 0.706 5.026 4.320 0.000 0.000 0.255 155 A C 0.614 178.159 177.584 -0.066 0.000 1.099 155 A CA -0.251 51.751 52.037 -0.059 0.000 0.801 155 A CB 0.401 19.380 19.000 -0.036 0.000 1.062 155 A HN 0.835 nan 8.150 nan 0.000 0.496 156 A N -0.359 122.439 122.820 -0.038 0.000 2.548 156 A HA 0.466 4.786 4.320 0.000 0.000 0.247 156 A C 1.601 179.167 177.584 -0.030 0.000 1.067 156 A CA 0.862 52.890 52.037 -0.014 0.000 0.757 156 A CB -1.086 17.931 19.000 0.030 0.000 0.996 156 A HN 2.735 nan 8.150 nan 0.000 0.504 157 G N 0.911 109.684 108.800 -0.044 0.000 2.199 157 G HA2 0.121 4.081 3.960 0.000 0.000 0.254 157 G HA3 0.121 4.081 3.960 0.000 0.000 0.254 157 G C 0.587 175.452 174.900 -0.058 0.000 0.982 157 G CA 0.592 45.663 45.100 -0.049 0.000 0.632 157 G HN 2.162 nan 8.290 nan 0.000 0.529 158 A N -0.468 122.310 122.820 -0.071 0.000 2.264 158 A HA 0.841 5.161 4.320 0.000 0.000 0.304 158 A C 0.281 177.807 177.584 -0.096 0.000 1.100 158 A CA 0.720 52.713 52.037 -0.072 0.000 0.839 158 A CB 1.012 19.972 19.000 -0.067 0.000 1.121 158 A HN 0.717 nan 8.150 nan 0.000 0.496 159 T N 0.514 115.022 114.554 -0.077 0.000 2.812 159 T HA 0.619 4.969 4.350 0.000 0.000 0.282 159 T C 0.165 174.827 174.700 -0.063 0.000 0.990 159 T CA 0.054 62.106 62.100 -0.079 0.000 0.960 159 T CB 1.563 70.402 68.868 -0.049 0.000 0.948 159 T HN 1.042 nan 8.240 nan 0.000 0.438 160 G N 1.855 110.609 108.800 -0.077 0.000 2.420 160 G HA2 0.645 4.605 3.960 0.000 0.000 0.331 160 G HA3 0.645 4.605 3.960 0.000 0.000 0.331 160 G C -0.947 173.967 174.900 0.022 0.000 1.168 160 G CA -0.605 44.477 45.100 -0.029 0.000 0.936 160 G HN 0.488 nan 8.290 nan 0.000 0.479 161 E N 0.554 120.785 120.200 0.051 0.000 2.171 161 E HA 0.521 4.871 4.350 0.000 0.000 0.271 161 E C -0.928 175.731 176.600 0.097 0.000 0.916 161 E CA -0.570 55.870 56.400 0.067 0.000 0.774 161 E CB 2.428 32.156 29.700 0.047 0.000 1.128 161 E HN 0.145 nan 8.360 nan 0.000 0.403 162 L N 1.287 122.580 121.223 0.116 0.000 2.341 162 L HA 0.561 4.901 4.340 0.000 0.000 0.267 162 L C -0.020 176.908 176.870 0.097 0.000 1.009 162 L CA -0.457 54.459 54.840 0.127 0.000 0.819 162 L CB 2.144 44.311 42.059 0.180 0.000 1.323 162 L HN 0.354 nan 8.230 nan 0.000 0.425 163 T N 2.919 117.525 114.554 0.086 0.000 2.971 163 T HA 0.728 5.078 4.350 0.000 0.000 0.304 163 T C -0.974 173.764 174.700 0.062 0.000 1.038 163 T CA -0.457 61.683 62.100 0.066 0.000 1.007 163 T CB 1.639 70.567 68.868 0.100 0.000 1.055 163 T HN 0.454 nan 8.240 nan 0.000 0.451 164 M N 2.863 122.465 119.600 0.003 0.000 2.569 164 M HA 0.564 5.044 4.480 0.000 0.000 0.279 164 M C -2.222 174.024 176.300 -0.091 0.000 1.253 164 M CA -0.705 54.585 55.300 -0.017 0.000 0.867 164 M CB 2.453 34.978 32.600 -0.124 0.000 1.727 164 M HN 0.757 nan 8.290 nan 0.000 0.467 165 Y N 1.175 121.432 120.300 -0.072 0.000 2.499 165 Y HA 0.642 5.192 4.550 0.000 0.000 0.347 165 Y C -1.429 174.505 175.900 0.057 0.000 0.987 165 Y CA -0.320 57.846 58.100 0.110 0.000 1.044 165 Y CB 2.132 40.715 38.460 0.206 0.000 1.245 165 Y HN 0.525 nan 8.280 nan 0.000 0.461 166 Y N 1.013 121.606 120.300 0.488 0.000 2.477 166 Y HA 0.264 4.814 4.550 0.000 0.000 0.347 166 Y C -0.969 175.158 175.900 0.379 0.000 0.981 166 Y CA -1.496 56.794 58.100 0.315 0.000 1.033 166 Y CB 1.964 40.487 38.460 0.105 0.000 1.245 166 Y HN 0.639 nan 8.280 nan 0.000 0.455 167 W N 5.194 126.595 121.300 0.168 0.000 2.329 167 W HA 0.656 5.316 4.660 -0.000 0.000 0.312 167 W C -1.847 174.697 176.519 0.042 0.000 1.054 167 W CA -1.004 56.424 57.345 0.138 0.000 1.245 167 W CB 1.408 30.912 29.460 0.074 0.000 1.255 167 W HN 0.304 nan 8.180 nan 0.000 0.436 168 V N 9.419 129.037 119.914 -0.493 0.000 2.334 168 V HA 0.186 4.306 4.120 0.000 0.000 0.267 168 V C -1.599 173.998 176.094 -0.828 0.000 1.040 168 V CA -1.586 60.434 62.300 -0.467 0.000 0.866 168 V CB 0.921 32.590 31.823 -0.257 0.000 1.019 168 V HN 0.364 nan 8.190 nan 0.000 0.468 169 P HA 0.375 nan 4.420 nan 0.000 0.284 169 P C 0.070 177.242 177.300 -0.213 0.000 1.253 169 P CA -0.286 62.621 63.100 -0.322 0.000 0.800 169 P CB 2.459 34.273 31.700 0.191 0.000 0.961 170 L N 1.538 122.689 121.223 -0.120 0.000 2.590 170 L HA 0.315 4.655 4.340 0.000 0.000 0.181 170 L C 1.392 178.395 176.870 0.222 0.000 1.134 170 L CA 0.139 54.933 54.840 -0.077 0.000 0.850 170 L CB -0.808 41.086 42.059 -0.274 0.000 1.172 170 L HN 0.328 nan 8.230 nan 0.000 0.498 171 A N -0.966 121.966 122.820 0.186 0.000 2.407 171 A HA -0.006 4.314 4.320 0.000 0.000 0.248 171 A C 0.538 178.312 177.584 0.316 0.000 1.082 171 A CA -0.015 52.158 52.037 0.228 0.000 0.785 171 A CB -0.007 19.085 19.000 0.153 0.000 1.020 171 A HN 0.357 nan 8.150 nan 0.000 0.489 172 Y N 2.219 122.543 120.300 0.040 0.000 2.181 172 Y HA -0.037 4.513 4.550 0.000 0.000 0.288 172 Y C 1.233 177.119 175.900 -0.024 0.000 1.146 172 Y CA 1.735 59.688 58.100 -0.247 0.000 1.164 172 Y CB 0.011 38.331 38.460 -0.233 0.000 0.982 172 Y HN 0.875 nan 8.280 nan 0.000 0.515 173 S N -2.216 113.474 115.700 -0.017 0.000 2.757 173 S HA 0.180 4.650 4.470 0.000 0.000 0.285 173 S C 0.568 175.165 174.600 -0.005 0.000 1.196 173 S CA -0.345 57.800 58.200 -0.091 0.000 0.856 173 S CB 1.204 64.323 63.200 -0.134 0.000 1.212 173 S HN 0.240 nan 8.310 nan 0.000 0.516 174 E N 0.101 120.268 120.200 -0.056 0.000 2.274 174 E HA -0.072 4.278 4.350 0.000 0.000 0.194 174 E C 1.392 177.977 176.600 -0.024 0.000 0.996 174 E CA 1.648 58.017 56.400 -0.052 0.000 0.840 174 E CB -0.122 29.515 29.700 -0.105 0.000 0.772 174 E HN 0.785 nan 8.360 nan 0.000 0.491 175 T N -2.685 111.866 114.554 -0.006 0.000 2.990 175 T HA 0.040 4.390 4.350 0.000 0.000 0.250 175 T C 0.386 175.107 174.700 0.035 0.000 1.041 175 T CA -0.281 61.824 62.100 0.009 0.000 1.010 175 T CB 0.409 69.280 68.868 0.005 0.000 1.003 175 T HN -0.108 nan 8.240 nan 0.000 0.499 176 D N 1.242 121.686 120.400 0.072 0.000 2.460 176 D HA 0.303 4.943 4.640 0.000 0.000 0.232 176 D C 0.672 177.023 176.300 0.085 0.000 1.079 176 D CA -0.687 53.368 54.000 0.092 0.000 0.864 176 D CB 0.916 41.835 40.800 0.199 0.000 1.048 176 D HN 0.224 nan 8.370 nan 0.000 0.523 177 L N 2.490 123.736 121.223 0.038 0.000 2.645 177 L HA 0.074 4.414 4.340 0.000 0.000 0.235 177 L C 0.772 177.650 176.870 0.014 0.000 1.150 177 L CA 0.188 55.051 54.840 0.039 0.000 0.911 177 L CB -0.438 41.638 42.059 0.028 0.000 1.077 177 L HN 0.254 nan 8.230 nan 0.000 0.438 178 T N 0.810 115.335 114.554 -0.048 0.000 2.871 178 T HA 0.227 4.577 4.350 0.000 0.000 0.296 178 T C 1.259 175.946 174.700 -0.022 0.000 0.998 178 T CA 1.065 63.055 62.100 -0.182 0.000 1.162 178 T CB 0.890 69.423 68.868 -0.558 0.000 0.947 178 T HN 0.636 nan 8.240 nan 0.000 0.536 179 G N 2.049 110.865 108.800 0.026 0.000 2.213 179 G HA2 -0.098 3.862 3.960 0.000 0.000 0.236 179 G HA3 -0.098 3.862 3.960 0.000 0.000 0.236 179 G C 0.378 175.392 174.900 0.190 0.000 0.991 179 G CA -0.015 45.205 45.100 0.200 0.000 0.629 179 G HN 1.161 nan 8.290 nan 0.000 0.517 180 A N -0.465 122.423 122.820 0.114 0.000 2.429 180 A HA 0.633 4.953 4.320 0.000 0.000 0.242 180 A C 0.384 178.013 177.584 0.075 0.000 1.088 180 A CA 0.842 52.922 52.037 0.072 0.000 0.784 180 A CB 0.839 19.872 19.000 0.055 0.000 1.038 180 A HN 1.217 nan 8.150 nan 0.000 0.501 181 V N 1.791 121.727 119.914 0.036 0.000 2.487 181 V HA 0.309 4.428 4.120 0.000 0.000 0.298 181 V C -0.559 175.561 176.094 0.044 0.000 1.028 181 V CA -0.505 61.831 62.300 0.059 0.000 0.860 181 V CB 1.406 33.260 31.823 0.052 0.000 0.991 181 V HN 0.783 nan 8.190 nan 0.000 0.427 182 L N 5.453 126.702 121.223 0.044 0.000 2.283 182 L HA 0.692 5.032 4.340 0.000 0.000 0.287 182 L C 0.519 177.394 176.870 0.009 0.000 1.073 182 L CA 0.198 55.047 54.840 0.014 0.000 0.822 182 L CB 0.740 42.800 42.059 0.001 0.000 1.186 182 L HN 0.741 nan 8.230 nan 0.000 0.436 183 A N 4.258 127.074 122.820 -0.007 0.000 2.786 183 A HA 0.487 4.807 4.320 0.000 0.000 0.346 183 A C 0.058 177.616 177.584 -0.044 0.000 1.265 183 A CA -0.441 51.590 52.037 -0.011 0.000 0.858 183 A CB -0.566 18.437 19.000 0.005 0.000 1.118 183 A HN 0.832 nan 8.150 nan 0.000 0.482 184 N N 0.554 119.223 118.700 -0.051 0.000 2.166 184 N HA 0.041 4.781 4.740 0.000 0.000 0.213 184 N C -0.123 175.357 175.510 -0.049 0.000 1.222 184 N CA 0.010 53.019 53.050 -0.068 0.000 0.900 184 N CB 0.380 38.797 38.487 -0.116 0.000 1.055 184 N HN 0.289 nan 8.380 nan 0.000 0.515 185 V N 2.704 122.598 119.914 -0.033 0.000 2.370 185 V HA 0.278 4.398 4.120 0.000 0.000 0.257 185 V C -1.500 174.583 176.094 -0.019 0.000 1.064 185 V CA -1.540 60.746 62.300 -0.023 0.000 0.975 185 V CB 1.015 32.829 31.823 -0.015 0.000 1.067 185 V HN -0.025 nan 8.190 nan 0.000 0.485 186 P HA -0.135 nan 4.420 nan 0.000 0.220 186 P C 1.706 178.998 177.300 -0.014 0.000 1.144 186 P CA 2.013 65.104 63.100 -0.015 0.000 0.800 186 P CB 0.171 31.864 31.700 -0.011 0.000 0.772 187 Q N 0.184 119.976 119.800 -0.013 0.000 1.917 187 Q HA -0.103 4.237 4.340 0.000 0.000 0.205 187 Q C 1.387 177.377 176.000 -0.018 0.000 0.988 187 Q CA 1.829 57.624 55.803 -0.014 0.000 0.851 187 Q CB -1.697 27.034 28.738 -0.012 0.000 0.916 187 Q HN 0.448 nan 8.270 nan 0.000 0.424 188 S N 0.702 116.392 115.700 -0.018 0.000 2.499 188 S HA 0.578 5.048 4.470 0.000 0.000 0.279 188 S C -0.482 174.104 174.600 -0.024 0.000 1.219 188 S CA -1.024 57.162 58.200 -0.024 0.000 1.062 188 S CB 1.369 64.555 63.200 -0.022 0.000 0.978 188 S HN 0.417 nan 8.310 nan 0.000 0.489 189 K N 2.436 122.816 120.400 -0.033 0.000 2.087 189 K HA 0.356 4.676 4.320 0.000 0.000 0.255 189 K C 0.423 176.995 176.600 -0.048 0.000 0.988 189 K CA -0.475 55.793 56.287 -0.031 0.000 0.915 189 K CB 0.710 33.190 32.500 -0.034 0.000 1.043 189 K HN 0.747 nan 8.250 nan 0.000 0.457 190 Q N 0.763 120.542 119.800 -0.034 0.000 2.316 190 Q HA 0.393 4.733 4.340 0.000 0.000 0.215 190 Q C -0.243 175.678 176.000 -0.132 0.000 1.020 190 Q CA -0.457 55.291 55.803 -0.093 0.000 0.970 190 Q CB 0.943 29.714 28.738 0.054 0.000 1.187 190 Q HN 0.364 nan 8.270 nan 0.000 0.546 191 R N 0.523 120.873 120.500 -0.250 0.000 2.522 191 R HA 0.411 4.751 4.340 0.000 0.000 0.283 191 R C -2.207 173.963 176.300 -0.217 0.000 1.074 191 R CA -0.624 55.372 56.100 -0.173 0.000 0.925 191 R CB 0.993 31.223 30.300 -0.117 0.000 1.205 191 R HN 0.507 nan 8.270 nan 0.000 0.436 192 L N 4.163 125.270 121.223 -0.193 0.000 2.318 192 L HA 0.495 4.835 4.340 0.000 0.000 0.277 192 L C -1.021 175.735 176.870 -0.190 0.000 1.008 192 L CA -0.190 54.510 54.840 -0.233 0.000 0.846 192 L CB 1.239 43.013 42.059 -0.476 0.000 1.220 192 L HN 0.588 nan 8.230 nan 0.000 0.423 193 K N 5.446 125.758 120.400 -0.146 0.000 2.183 193 K HA 0.632 4.952 4.320 0.000 0.000 0.274 193 K C -1.538 174.923 176.600 -0.232 0.000 1.009 193 K CA -0.516 55.688 56.287 -0.138 0.000 0.888 193 K CB 0.777 33.239 32.500 -0.062 0.000 1.078 193 K HN 0.696 nan 8.250 nan 0.000 0.459 194 L N 4.189 125.249 121.223 -0.272 0.000 2.349 194 L HA 0.375 4.715 4.340 0.000 0.000 0.278 194 L C -0.614 176.006 176.870 -0.416 0.000 0.996 194 L CA -0.618 53.927 54.840 -0.493 0.000 0.825 194 L CB 1.948 43.552 42.059 -0.757 0.000 1.243 194 L HN 0.622 nan 8.230 nan 0.000 0.412 195 E N 3.618 123.567 120.200 -0.419 0.000 2.073 195 E HA 0.377 4.727 4.350 0.000 0.000 0.269 195 E C -1.043 175.391 176.600 -0.276 0.000 0.917 195 E CA -0.452 55.815 56.400 -0.221 0.000 0.757 195 E CB 1.302 30.918 29.700 -0.140 0.000 1.111 195 E HN 0.260 nan 8.360 nan 0.000 0.410 196 F N 1.318 121.272 119.950 0.008 0.000 2.375 196 F HA 0.365 4.892 4.527 0.000 0.000 0.313 196 F C 1.167 176.993 175.800 0.044 0.000 1.176 196 F CA -0.643 57.385 58.000 0.047 0.000 1.142 196 F CB 0.577 39.686 39.000 0.182 0.000 1.275 196 F HN 0.381 nan 8.300 nan 0.000 0.544 197 A N 1.546 124.523 122.820 0.262 0.000 2.386 197 A HA 0.444 4.764 4.320 0.000 0.000 0.246 197 A C -0.292 177.361 177.584 0.114 0.000 1.089 197 A CA -0.156 51.987 52.037 0.176 0.000 0.790 197 A CB -0.084 19.056 19.000 0.235 0.000 1.042 197 A HN 0.892 nan 8.150 nan 0.000 0.497 198 N N -0.993 117.818 118.700 0.185 0.000 3.316 198 N HA 0.220 4.960 4.740 0.000 0.000 0.300 198 N C -0.211 175.531 175.510 0.387 0.000 1.567 198 N CA -0.746 52.440 53.050 0.227 0.000 0.821 198 N CB 0.262 38.859 38.487 0.184 0.000 1.748 198 N HN 0.297 nan 8.380 nan 0.000 0.603 199 N N -0.567 118.384 118.700 0.418 0.000 2.573 199 N HA -0.019 4.721 4.740 0.000 0.000 0.187 199 N C -0.077 175.619 175.510 0.310 0.000 1.107 199 N CA 0.617 53.942 53.050 0.458 0.000 0.918 199 N CB -0.522 38.220 38.487 0.425 0.000 0.966 199 N HN 0.562 nan 8.380 nan 0.000 0.448 200 N N -0.894 117.928 118.700 0.204 0.000 2.356 200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 200 N C 1.455 177.027 175.510 0.103 0.000 1.075 200 N CA 0.723 53.863 53.050 0.149 0.000 0.889 200 N CB 0.426 38.986 38.487 0.122 0.000 0.999 200 N HN 0.242 nan 8.380 nan 0.000 0.464 201 T N -3.093 111.505 114.554 0.074 0.000 3.000 201 T HA 0.319 4.669 4.350 0.000 0.000 0.248 201 T C 1.825 176.493 174.700 -0.054 0.000 1.034 201 T CA 0.110 62.235 62.100 0.041 0.000 1.060 201 T CB 0.114 69.026 68.868 0.073 0.000 0.983 201 T HN 0.036 nan 8.240 nan 0.000 0.482 202 A N 0.775 123.452 122.820 -0.240 0.000 2.119 202 A HA 0.436 4.756 4.320 0.000 0.000 0.216 202 A C 0.097 177.242 177.584 -0.731 0.000 1.152 202 A CA 0.211 51.892 52.037 -0.594 0.000 0.708 202 A CB -0.528 17.889 19.000 -0.973 0.000 0.805 202 A HN 0.525 nan 8.150 nan 0.000 0.460 203 F N -0.557 119.451 119.950 0.098 0.000 2.460 203 F HA 0.663 5.190 4.527 0.000 0.000 0.341 203 F C 0.243 176.077 175.800 0.056 0.000 1.130 203 F CA -1.526 56.514 58.000 0.068 0.000 0.962 203 F CB 1.279 40.298 39.000 0.032 0.000 1.171 203 F HN 0.077 nan 8.300 nan 0.000 0.436 204 A N 2.098 125.034 122.820 0.193 0.000 2.304 204 A HA 0.870 5.190 4.320 0.000 0.000 0.323 204 A C -0.048 177.593 177.584 0.095 0.000 1.195 204 A CA -0.518 51.586 52.037 0.112 0.000 0.826 204 A CB 0.593 19.627 19.000 0.057 0.000 1.184 204 A HN 0.938 nan 8.150 nan 0.000 0.496 205 A N 1.736 124.600 122.820 0.073 0.000 2.346 205 A HA 0.524 4.844 4.320 0.000 0.000 0.252 205 A C 0.432 178.032 177.584 0.028 0.000 1.089 205 A CA -0.303 51.761 52.037 0.045 0.000 0.797 205 A CB -0.025 19.000 19.000 0.041 0.000 1.047 205 A HN 1.194 nan 8.150 nan 0.000 0.494 206 V N 1.166 121.086 119.914 0.011 0.000 2.694 206 V HA 0.355 4.475 4.120 0.000 0.000 0.306 206 V C 1.714 177.812 176.094 0.007 0.000 1.054 206 V CA 1.870 64.173 62.300 0.004 0.000 1.161 206 V CB 0.006 31.825 31.823 -0.007 0.000 0.916 206 V HN 1.973 nan 8.190 nan 0.000 0.490 207 G N 3.229 112.033 108.800 0.005 0.000 2.234 207 G HA2 -0.151 3.809 3.960 0.000 0.000 0.260 207 G HA3 -0.151 3.809 3.960 0.000 0.000 0.260 207 G C 0.427 175.331 174.900 0.007 0.000 0.987 207 G CA 0.329 45.430 45.100 0.002 0.000 0.625 207 G HN 1.516 nan 8.290 nan 0.000 0.532 208 A N -0.220 122.610 122.820 0.017 0.000 2.271 208 A HA 0.657 4.977 4.320 0.000 0.000 0.288 208 A C 0.509 178.109 177.584 0.026 0.000 1.094 208 A CA 0.137 52.188 52.037 0.023 0.000 0.828 208 A CB 0.381 19.402 19.000 0.034 0.000 1.091 208 A HN 0.537 nan 8.150 nan 0.000 0.493 209 N N 1.025 119.744 118.700 0.032 0.000 2.452 209 N HA 0.146 4.886 4.740 0.000 0.000 0.266 209 N C -1.713 173.817 175.510 0.034 0.000 1.175 209 N CA -1.491 51.593 53.050 0.055 0.000 0.945 209 N CB 1.017 39.539 38.487 0.059 0.000 1.063 209 N HN 0.333 nan 8.380 nan 0.000 0.472 210 P HA -0.031 nan 4.420 nan 0.000 0.255 210 P C 1.578 178.706 177.300 -0.288 0.000 1.248 210 P CA -0.092 62.936 63.100 -0.119 0.000 0.807 210 P CB 0.491 32.098 31.700 -0.154 0.000 1.150 211 L N 1.635 122.694 121.223 -0.273 0.000 2.030 211 L HA -0.208 4.132 4.340 0.000 0.000 0.222 211 L C 1.826 178.504 176.870 -0.320 0.000 1.082 211 L CA 2.217 56.776 54.840 -0.468 0.000 0.785 211 L CB -0.916 41.092 42.059 -0.085 0.000 0.895 211 L HN -0.081 nan 8.230 nan 0.000 0.439 212 E N -0.233 119.931 120.200 -0.059 0.000 2.474 212 E HA 0.274 4.624 4.350 0.000 0.000 0.195 212 E C 0.725 177.354 176.600 0.047 0.000 1.039 212 E CA 0.552 57.003 56.400 0.086 0.000 0.881 212 E CB 0.007 29.789 29.700 0.137 0.000 0.970 212 E HN 0.579 nan 8.360 nan 0.000 0.486 213 A N 0.899 123.698 122.820 -0.035 0.000 2.271 213 A HA 0.472 4.792 4.320 0.000 0.000 0.288 213 A C 1.111 178.661 177.584 -0.057 0.000 1.094 213 A CA -0.413 51.598 52.037 -0.043 0.000 0.828 213 A CB 0.509 19.490 19.000 -0.032 0.000 1.091 213 A HN 0.044 nan 8.150 nan 0.000 0.493 214 I N -1.547 118.982 120.570 -0.069 0.000 3.039 214 I HA 0.117 4.287 4.170 0.000 0.000 0.270 214 I C -0.379 175.551 176.117 -0.311 0.000 1.150 214 I CA 0.659 61.884 61.300 -0.126 0.000 1.448 214 I CB 0.003 37.989 38.000 -0.022 0.000 1.197 214 I HN 0.580 nan 8.210 nan 0.000 0.450 215 Y N 0.347 120.688 120.300 0.068 0.000 2.499 215 Y HA 0.571 5.121 4.550 0.000 0.000 0.347 215 Y C -0.262 175.701 175.900 0.106 0.000 0.987 215 Y CA -0.786 57.381 58.100 0.112 0.000 1.044 215 Y CB 1.726 40.302 38.460 0.193 0.000 1.245 215 Y HN -0.066 nan 8.280 nan 0.000 0.461 216 Q N 1.366 121.291 119.800 0.207 0.000 2.345 216 Q HA 0.760 5.100 4.340 0.000 0.000 0.275 216 Q C -0.983 175.071 176.000 0.091 0.000 1.063 216 Q CA -0.616 55.259 55.803 0.121 0.000 0.819 216 Q CB 2.639 31.404 28.738 0.045 0.000 1.356 216 Q HN 0.972 nan 8.270 nan 0.000 0.418 217 G N 0.412 109.242 108.800 0.049 0.000 2.320 217 G HA2 0.365 4.325 3.960 0.000 0.000 0.297 217 G HA3 0.365 4.325 3.960 0.000 0.000 0.297 217 G C -0.335 174.534 174.900 -0.051 0.000 1.344 217 G CA -0.131 44.969 45.100 0.001 0.000 0.851 217 G HN 0.707 nan 8.290 nan 0.000 0.567 218 A N -0.873 121.887 122.820 -0.101 0.000 2.125 218 A HA 0.352 4.672 4.320 0.000 0.000 0.219 218 A C 2.197 179.564 177.584 -0.362 0.000 1.156 218 A CA 2.596 54.527 52.037 -0.177 0.000 0.671 218 A CB -0.400 18.499 19.000 -0.169 0.000 0.794 218 A HN 1.960 nan 8.150 nan 0.000 0.459 219 G N -1.666 106.924 108.800 -0.350 0.000 3.189 219 G HA2 0.336 4.296 3.960 0.000 0.000 0.225 219 G HA3 0.336 4.296 3.960 0.000 0.000 0.225 219 G C 1.296 176.097 174.900 -0.165 0.000 1.159 219 G CA 0.832 45.668 45.100 -0.440 0.000 0.763 219 G HN 0.592 nan 8.290 nan 0.000 0.549 220 A N 1.455 124.215 122.820 -0.100 0.000 1.917 220 A HA 0.079 4.399 4.320 0.000 0.000 0.219 220 A C 2.749 180.319 177.584 -0.024 0.000 1.182 220 A CA 2.280 54.298 52.037 -0.031 0.000 0.633 220 A CB -0.695 18.353 19.000 0.080 0.000 0.819 220 A HN 0.802 nan 8.150 nan 0.000 0.448 221 A N -0.685 122.151 122.820 0.026 0.000 2.024 221 A HA -0.142 4.178 4.320 0.000 0.000 0.220 221 A C 1.358 178.950 177.584 0.015 0.000 1.164 221 A CA 1.878 53.946 52.037 0.051 0.000 0.643 221 A CB -0.388 18.656 19.000 0.074 0.000 0.806 221 A HN 0.446 nan 8.150 nan 0.000 0.451 222 D N -1.437 118.962 120.400 -0.001 0.000 2.363 222 D HA 0.185 4.825 4.640 0.000 0.000 0.214 222 D C -0.142 176.040 176.300 -0.197 0.000 1.093 222 D CA -0.121 53.848 54.000 -0.052 0.000 0.837 222 D CB -0.215 40.591 40.800 0.009 0.000 0.948 222 D HN 0.313 nan 8.370 nan 0.000 0.507 223 C N 1.759 120.819 119.300 -0.400 0.000 2.539 223 C HA 0.559 5.019 4.460 0.000 0.000 0.392 223 C C 0.573 175.091 174.990 -0.788 0.000 1.269 223 C CA -0.563 57.971 59.018 -0.807 0.000 2.250 223 C CB 0.182 26.992 27.740 -1.549 0.000 2.584 223 C HN 0.384 nan 8.230 nan 0.000 0.589 224 E N 0.971 120.816 120.200 -0.591 0.000 2.390 224 E HA 0.487 4.838 4.350 0.000 0.000 0.280 224 E C -1.734 174.847 176.600 -0.033 0.000 0.992 224 E CA -0.662 55.656 56.400 -0.137 0.000 0.790 224 E CB 0.685 30.376 29.700 -0.015 0.000 1.248 224 E HN 0.382 nan 8.360 nan 0.000 0.447 225 F N 1.738 121.819 119.950 0.218 0.000 2.412 225 F HA 0.186 4.713 4.527 0.000 0.000 0.348 225 F C 1.609 177.435 175.800 0.043 0.000 1.102 225 F CA -0.158 57.929 58.000 0.145 0.000 1.196 225 F CB 1.184 40.255 39.000 0.118 0.000 1.144 225 F HN 0.535 nan 8.300 nan 0.000 0.541 226 E N 1.370 121.688 120.200 0.196 0.000 2.140 226 E HA -0.007 4.343 4.350 0.000 0.000 0.191 226 E C 0.032 176.666 176.600 0.057 0.000 0.973 226 E CA 0.776 57.230 56.400 0.090 0.000 0.829 226 E CB 0.042 29.767 29.700 0.042 0.000 0.781 226 E HN 0.744 nan 8.360 nan 0.000 0.466 227 E N -1.028 119.200 120.200 0.047 0.000 2.398 227 E HA 0.477 4.827 4.350 0.000 0.000 0.280 227 E C -1.114 175.325 176.600 -0.268 0.000 1.122 227 E CA -0.473 55.839 56.400 -0.146 0.000 0.873 227 E CB 0.555 30.169 29.700 -0.144 0.000 1.294 227 E HN -0.081 nan 8.360 nan 0.000 0.435 228 I N 0.581 120.736 120.570 -0.691 0.000 2.686 228 I HA 0.704 4.874 4.170 0.000 0.000 0.295 228 I C -0.934 174.710 176.117 -0.788 0.000 1.114 228 I CA -0.982 59.844 61.300 -0.791 0.000 1.038 228 I CB 2.267 39.516 38.000 -1.250 0.000 1.238 228 I HN 0.553 nan 8.210 nan 0.000 0.420 229 S N 4.210 119.661 115.700 -0.415 0.000 2.549 229 S HA 0.777 5.247 4.470 0.000 0.000 0.280 229 S C -1.582 172.938 174.600 -0.134 0.000 1.109 229 S CA -0.433 57.592 58.200 -0.292 0.000 0.905 229 S CB 1.456 64.532 63.200 -0.206 0.000 1.081 229 S HN 0.482 nan 8.310 nan 0.000 0.477 230 Y N -0.103 120.103 120.300 -0.157 0.000 2.553 230 Y HA 0.832 5.382 4.550 0.000 0.000 0.347 230 Y C -0.894 174.974 175.900 -0.053 0.000 1.019 230 Y CA -0.845 57.219 58.100 -0.061 0.000 1.032 230 Y CB 1.439 39.919 38.460 0.033 0.000 1.284 230 Y HN 0.441 nan 8.280 nan 0.000 0.466 231 T N 2.881 117.548 114.554 0.188 0.000 2.928 231 T HA 0.501 4.851 4.350 0.000 0.000 0.296 231 T C -1.459 173.336 174.700 0.159 0.000 1.000 231 T CA -0.652 61.477 62.100 0.047 0.000 0.989 231 T CB 1.433 70.268 68.868 -0.055 0.000 1.005 231 T HN 0.624 nan 8.240 nan 0.000 0.442 232 V N 4.281 124.270 119.914 0.125 0.000 2.370 232 V HA 0.451 4.571 4.120 0.000 0.000 0.279 232 V C -1.049 175.085 176.094 0.067 0.000 1.029 232 V CA -0.719 61.688 62.300 0.179 0.000 0.870 232 V CB 0.553 32.485 31.823 0.182 0.000 0.984 232 V HN 0.796 nan 8.190 nan 0.000 0.451 233 Y N 3.097 123.579 120.300 0.303 0.000 2.341 233 Y HA 0.500 5.050 4.550 0.000 0.000 0.337 233 Y C 0.325 176.404 175.900 0.299 0.000 1.014 233 Y CA -0.331 57.938 58.100 0.281 0.000 1.111 233 Y CB 1.674 40.295 38.460 0.269 0.000 1.194 233 Y HN 0.571 nan 8.280 nan 0.000 0.462 234 Q N 2.161 122.201 119.800 0.398 0.000 2.307 234 Q HA 0.458 4.798 4.340 0.000 0.000 0.262 234 Q C -0.925 175.204 176.000 0.215 0.000 0.961 234 Q CA -0.573 55.346 55.803 0.194 0.000 0.882 234 Q CB 1.331 30.215 28.738 0.243 0.000 1.264 234 Q HN 0.660 nan 8.270 nan 0.000 0.446 235 S N 4.168 119.903 115.700 0.057 0.000 2.442 235 S HA 0.654 5.124 4.470 0.000 0.000 0.297 235 S C -1.389 173.283 174.600 0.120 0.000 1.131 235 S CA -0.344 57.929 58.200 0.121 0.000 1.092 235 S CB 0.284 63.667 63.200 0.305 0.000 0.998 235 S HN 0.569 nan 8.310 nan 0.000 0.478 236 Y N 1.964 122.255 120.300 -0.015 0.000 2.705 236 Y HA 0.704 5.254 4.550 0.000 0.000 0.332 236 Y C -1.937 173.962 175.900 -0.002 0.000 1.221 236 Y CA -1.552 56.534 58.100 -0.024 0.000 1.059 236 Y CB 0.823 39.268 38.460 -0.025 0.000 1.298 236 Y HN 0.422 nan 8.280 nan 0.000 0.459 237 L N 3.258 124.600 121.223 0.198 0.000 2.305 237 L HA 0.446 4.786 4.340 0.000 0.000 0.284 237 L C -0.898 176.124 176.870 0.253 0.000 1.013 237 L CA -0.768 54.137 54.840 0.108 0.000 0.819 237 L CB 1.392 43.499 42.059 0.079 0.000 1.227 237 L HN 0.815 nan 8.230 nan 0.000 0.417 238 D N 2.219 122.749 120.400 0.218 0.000 2.506 238 D HA 0.187 4.827 4.640 0.000 0.000 0.254 238 D C -0.420 176.001 176.300 0.202 0.000 1.089 238 D CA -0.604 53.560 54.000 0.273 0.000 1.050 238 D CB 1.123 42.125 40.800 0.337 0.000 1.221 238 D HN 0.504 nan 8.370 nan 0.000 0.589 239 Q N -0.365 119.550 119.800 0.192 0.000 2.453 239 Q HA -0.161 4.179 4.340 0.000 0.000 0.330 239 Q C -0.458 175.642 176.000 0.166 0.000 1.417 239 Q CA 0.135 56.036 55.803 0.163 0.000 0.902 239 Q CB -1.576 27.239 28.738 0.128 0.000 1.154 239 Q HN 0.415 nan 8.270 nan 0.000 0.395 240 L N 1.828 123.188 121.223 0.229 0.000 2.485 240 L HA 0.208 4.548 4.340 0.000 0.000 0.275 240 L C -1.174 175.797 176.870 0.167 0.000 1.207 240 L CA -1.462 53.525 54.840 0.244 0.000 0.855 240 L CB -0.295 41.981 42.059 0.362 0.000 1.114 240 L HN 0.093 nan 8.230 nan 0.000 0.485 241 P HA 0.116 nan 4.420 nan 0.000 0.271 241 P C -0.750 176.489 177.300 -0.102 0.000 1.216 241 P CA -0.168 62.932 63.100 0.001 0.000 0.776 241 P CB 1.316 33.031 31.700 0.024 0.000 0.881 242 V N 0.284 120.078 119.914 -0.200 0.000 2.919 242 V HA 1.000 5.120 4.120 0.000 0.000 0.316 242 V C 0.082 176.090 176.094 -0.143 0.000 1.077 242 V CA -0.463 61.657 62.300 -0.300 0.000 0.977 242 V CB 1.579 33.136 31.823 -0.443 0.000 1.039 242 V HN 0.793 nan 8.190 nan 0.000 0.441 243 G N 0.569 109.303 108.800 -0.111 0.000 2.975 243 G HA2 0.583 4.543 3.960 0.000 0.000 0.291 243 G HA3 0.583 4.543 3.960 0.000 0.000 0.291 243 G C 0.346 175.220 174.900 -0.044 0.000 1.334 243 G CA 0.283 45.349 45.100 -0.057 0.000 0.843 243 G HN 1.187 nan 8.290 nan 0.000 0.548 244 Q N -1.873 117.913 119.800 -0.023 0.000 2.135 244 Q HA -0.096 4.244 4.340 0.000 0.000 0.204 244 Q C 2.066 178.063 176.000 -0.005 0.000 0.981 244 Q CA 2.582 58.377 55.803 -0.014 0.000 0.856 244 Q CB -1.547 27.187 28.738 -0.007 0.000 0.902 244 Q HN 1.475 nan 8.270 nan 0.000 0.425 245 N N -0.533 118.169 118.700 0.002 0.000 2.313 245 N HA 0.486 5.226 4.740 0.000 0.000 0.207 245 N C 1.285 176.813 175.510 0.031 0.000 1.141 245 N CA 0.955 54.016 53.050 0.017 0.000 0.830 245 N CB -0.124 38.376 38.487 0.022 0.000 1.008 245 N HN 1.439 nan 8.380 nan 0.000 0.481 246 G N -0.559 108.247 108.800 0.009 0.000 2.466 246 G HA2 -0.159 3.801 3.960 0.000 0.000 0.218 246 G HA3 -0.159 3.801 3.960 0.000 0.000 0.218 246 G C -0.621 174.272 174.900 -0.011 0.000 1.237 246 G CA -0.333 44.778 45.100 0.019 0.000 0.954 246 G HN 0.541 nan 8.290 nan 0.000 0.580 247 Y N 0.828 121.139 120.300 0.018 0.000 2.526 247 Y HA 0.440 4.990 4.550 0.000 0.000 0.330 247 Y C 1.525 177.436 175.900 0.018 0.000 1.156 247 Y CA 0.277 58.389 58.100 0.020 0.000 1.419 247 Y CB 0.377 38.851 38.460 0.024 0.000 1.250 247 Y HN 0.417 nan 8.280 nan 0.000 0.540 248 I N 6.089 126.733 120.570 0.124 0.000 2.379 248 I HA 0.170 4.340 4.170 0.000 0.000 0.290 248 I C -0.576 175.603 176.117 0.104 0.000 1.063 248 I CA 0.221 61.572 61.300 0.083 0.000 1.351 248 I CB 0.007 38.033 38.000 0.044 0.000 1.410 248 I HN 0.365 nan 8.210 nan 0.000 0.505 249 L N 8.633 129.906 121.223 0.082 0.000 2.455 249 L HA 0.454 4.794 4.340 0.000 0.000 0.264 249 L C -2.485 174.409 176.870 0.039 0.000 0.968 249 L CA -1.848 53.032 54.840 0.067 0.000 0.827 249 L CB 2.558 44.659 42.059 0.071 0.000 1.317 249 L HN 0.360 nan 8.230 nan 0.000 0.407 250 P HA 0.146 nan 4.420 nan 0.000 0.271 250 P C 0.640 177.943 177.300 0.005 0.000 1.380 250 P CA -0.180 62.926 63.100 0.009 0.000 0.992 250 P CB 0.663 32.364 31.700 0.002 0.000 1.230 251 L N 2.888 124.115 121.223 0.005 0.000 2.131 251 L HA -0.136 4.204 4.340 0.000 0.000 0.210 251 L C 2.384 179.248 176.870 -0.009 0.000 1.092 251 L CA 1.235 56.077 54.840 0.004 0.000 0.759 251 L CB -0.549 41.515 42.059 0.008 0.000 0.903 251 L HN 0.279 nan 8.230 nan 0.000 0.435 252 I N -0.347 120.208 120.570 -0.025 0.000 2.286 252 I HA -0.216 3.954 4.170 0.000 0.000 0.245 252 I C 2.056 178.132 176.117 -0.069 0.000 1.104 252 I CA 0.946 62.217 61.300 -0.048 0.000 1.397 252 I CB -0.363 37.599 38.000 -0.064 0.000 1.072 252 I HN 0.190 nan 8.210 nan 0.000 0.417 253 D N 1.283 121.642 120.400 -0.068 0.000 2.116 253 D HA -0.163 4.477 4.640 0.000 0.000 0.193 253 D C 2.159 178.439 176.300 -0.033 0.000 0.998 253 D CA 1.440 55.393 54.000 -0.077 0.000 0.836 253 D CB -0.315 40.457 40.800 -0.046 0.000 0.951 253 D HN 0.273 nan 8.370 nan 0.000 0.449 254 L N -0.066 121.155 121.223 -0.003 0.000 2.552 254 L HA 0.034 4.374 4.340 0.000 0.000 0.227 254 L C 1.402 178.294 176.870 0.036 0.000 1.146 254 L CA 0.476 55.333 54.840 0.029 0.000 0.858 254 L CB 0.102 42.179 42.059 0.030 0.000 0.969 254 L HN -0.127 nan 8.230 nan 0.000 0.451 255 S N -1.632 114.074 115.700 0.010 0.000 2.578 255 S HA 0.134 4.604 4.470 0.000 0.000 0.231 255 S C 0.519 175.116 174.600 -0.006 0.000 0.994 255 S CA -0.155 58.051 58.200 0.011 0.000 0.956 255 S CB 0.474 63.676 63.200 0.004 0.000 0.870 255 S HN 0.210 nan 8.310 nan 0.000 0.494 256 T N 2.517 117.056 114.554 -0.024 0.000 2.855 256 T HA 0.547 4.897 4.350 0.000 0.000 0.281 256 T C -0.484 174.209 174.700 -0.012 0.000 1.007 256 T CA -0.454 61.614 62.100 -0.053 0.000 1.009 256 T CB 1.291 70.056 68.868 -0.172 0.000 0.983 256 T HN 0.100 nan 8.240 nan 0.000 0.455 257 L N 3.224 124.436 121.223 -0.018 0.000 2.289 257 L HA 0.456 4.796 4.340 0.000 0.000 0.285 257 L C -0.922 176.023 176.870 0.125 0.000 1.049 257 L CA -1.054 53.750 54.840 -0.060 0.000 0.804 257 L CB 0.650 42.564 42.059 -0.241 0.000 1.195 257 L HN 0.627 nan 8.230 nan 0.000 0.428 258 Y N 4.457 124.799 120.300 0.069 0.000 2.402 258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 258 Y C -0.859 174.985 175.900 -0.093 0.000 0.960 258 Y CA -1.230 56.966 58.100 0.161 0.000 1.228 258 Y CB 0.589 39.275 38.460 0.377 0.000 1.120 258 Y HN 0.522 nan 8.280 nan 0.000 0.491 259 N N 5.076 123.343 118.700 -0.721 0.000 2.265 259 N HA 0.533 5.273 4.740 0.000 0.000 0.300 259 N C -1.894 173.107 175.510 -0.848 0.000 1.148 259 N CA -0.628 51.919 53.050 -0.839 0.000 0.772 259 N CB 2.303 40.266 38.487 -0.872 0.000 1.434 259 N HN 0.478 nan 8.380 nan 0.000 0.481 260 L N 0.851 121.781 121.223 -0.487 0.000 2.346 260 L HA 0.507 4.847 4.340 0.000 0.000 0.276 260 L C 0.097 176.967 176.870 -0.001 0.000 1.006 260 L CA -0.176 54.556 54.840 -0.179 0.000 0.817 260 L CB 1.313 43.225 42.059 -0.244 0.000 1.272 260 L HN 0.458 nan 8.230 nan 0.000 0.421 261 E N 2.073 122.415 120.200 0.238 0.000 2.390 261 E HA 0.466 4.816 4.350 0.000 0.000 0.277 261 E C -1.432 175.272 176.600 0.174 0.000 0.939 261 E CA -0.906 55.629 56.400 0.225 0.000 0.769 261 E CB 2.855 32.763 29.700 0.347 0.000 1.251 261 E HN 0.641 nan 8.360 nan 0.000 0.450 262 N N -0.015 118.719 118.700 0.056 0.000 2.405 262 N HA 0.539 5.279 4.740 0.000 0.000 0.285 262 N C -1.130 174.419 175.510 0.064 0.000 1.262 262 N CA -0.578 52.432 53.050 -0.066 0.000 0.773 262 N CB 1.989 40.320 38.487 -0.259 0.000 1.490 262 N HN 0.485 nan 8.380 nan 0.000 0.486 263 S N -1.376 114.370 115.700 0.076 0.000 2.688 263 S HA 0.893 5.363 4.470 0.000 0.000 0.275 263 S C -1.553 173.121 174.600 0.125 0.000 1.175 263 S CA -0.876 57.397 58.200 0.122 0.000 0.818 263 S CB 1.270 64.574 63.200 0.172 0.000 1.157 263 S HN 1.099 nan 8.310 nan 0.000 0.482 264 A N 1.033 123.930 122.820 0.128 0.000 2.422 264 A HA 0.822 5.142 4.320 0.000 0.000 0.302 264 A C -1.353 176.313 177.584 0.137 0.000 1.041 264 A CA -0.740 51.379 52.037 0.137 0.000 0.708 264 A CB 1.598 20.679 19.000 0.135 0.000 1.257 264 A HN 0.810 nan 8.150 nan 0.000 0.414 265 Q N 0.696 120.597 119.800 0.168 0.000 2.359 265 Q HA 0.800 5.140 4.340 0.000 0.000 0.274 265 Q C -0.680 175.465 176.000 0.242 0.000 1.074 265 Q CA -0.580 55.364 55.803 0.236 0.000 0.810 265 Q CB 1.986 30.917 28.738 0.321 0.000 1.342 265 Q HN 1.247 nan 8.270 nan 0.000 0.427 266 A N -0.358 122.607 122.820 0.242 0.000 2.486 266 A HA 0.935 5.255 4.320 0.000 0.000 0.289 266 A C 0.355 178.058 177.584 0.198 0.000 1.176 266 A CA -0.299 51.792 52.037 0.091 0.000 0.757 266 A CB 1.399 20.430 19.000 0.051 0.000 1.337 266 A HN 1.482 nan 8.150 nan 0.000 0.423 267 G N -1.089 107.732 108.800 0.035 0.000 2.151 267 G HA2 0.020 3.980 3.960 0.000 0.000 0.156 267 G HA3 0.020 3.980 3.960 0.000 0.000 0.156 267 G C -0.448 174.497 174.900 0.074 0.000 1.017 267 G CA -0.038 45.145 45.100 0.138 0.000 0.686 267 G HN 0.753 nan 8.290 nan 0.000 0.503 268 L N 1.175 122.235 121.223 -0.272 0.000 2.395 268 L HA 0.750 5.090 4.340 0.000 0.000 0.269 268 L C 0.614 177.420 176.870 -0.108 0.000 1.133 268 L CA 0.159 54.805 54.840 -0.324 0.000 0.812 268 L CB 1.573 43.286 42.059 -0.578 0.000 1.125 268 L HN 0.172 nan 8.230 nan 0.000 0.452 269 T N 1.702 116.219 114.554 -0.062 0.000 2.952 269 T HA 0.375 4.725 4.350 0.000 0.000 0.305 269 T C -2.678 171.994 174.700 -0.046 0.000 1.064 269 T CA -1.377 60.702 62.100 -0.034 0.000 1.008 269 T CB 1.889 70.754 68.868 -0.005 0.000 1.078 269 T HN 0.207 nan 8.240 nan 0.000 0.459 270 P HA 0.061 nan 4.420 nan 0.000 0.261 270 P C 0.388 177.659 177.300 -0.047 0.000 1.173 270 P CA 0.473 63.549 63.100 -0.041 0.000 0.760 270 P CB 0.134 31.819 31.700 -0.025 0.000 0.783 271 N N -0.876 117.781 118.700 -0.071 0.000 2.778 271 N HA -0.142 4.598 4.740 0.000 0.000 0.249 271 N C -0.578 174.893 175.510 -0.064 0.000 1.069 271 N CA 0.747 53.755 53.050 -0.071 0.000 0.831 271 N CB -1.649 36.819 38.487 -0.032 0.000 1.142 271 N HN 0.190 nan 8.380 nan 0.000 0.573 272 V N 1.071 120.944 119.914 -0.067 0.000 2.513 272 V HA 0.233 4.353 4.120 0.000 0.000 0.299 272 V C 0.146 176.209 176.094 -0.052 0.000 1.035 272 V CA -0.821 61.457 62.300 -0.037 0.000 0.889 272 V CB 2.106 33.926 31.823 -0.005 0.000 0.988 272 V HN -0.050 nan 8.190 nan 0.000 0.440 273 D N 3.319 123.698 120.400 -0.036 0.000 2.434 273 D HA 0.122 4.762 4.640 0.000 0.000 0.252 273 D C -0.549 175.761 176.300 0.015 0.000 1.185 273 D CA 0.473 54.449 54.000 -0.040 0.000 0.886 273 D CB 0.439 41.239 40.800 -0.001 0.000 1.148 273 D HN 0.352 nan 8.370 nan 0.000 0.483 274 F N 3.599 123.455 119.950 -0.157 0.000 2.385 274 F HA 0.324 4.851 4.527 0.000 0.000 0.360 274 F C -0.693 175.049 175.800 -0.097 0.000 1.122 274 F CA -0.752 57.172 58.000 -0.128 0.000 1.090 274 F CB 0.781 39.677 39.000 -0.174 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.878 126.507 119.914 -0.476 0.000 2.417 275 V HA 0.429 4.549 4.120 0.000 0.000 0.291 275 V C -0.618 175.228 176.094 -0.413 0.000 1.024 275 V CA -0.909 61.198 62.300 -0.322 0.000 0.861 275 V CB 1.443 33.153 31.823 -0.190 0.000 0.985 275 V HN 0.497 nan 8.190 nan 0.000 0.436 276 V N 5.039 124.816 119.914 -0.227 0.000 2.334 276 V HA 0.340 4.460 4.120 0.000 0.000 0.281 276 V C 0.055 176.026 176.094 -0.205 0.000 1.016 276 V CA -0.724 61.452 62.300 -0.206 0.000 0.832 276 V CB 1.300 33.067 31.823 -0.093 0.000 0.999 276 V HN 0.824 nan 8.190 nan 0.000 0.439 277 Q N 3.030 122.718 119.800 -0.188 0.000 2.364 277 Q HA 0.276 4.616 4.340 0.000 0.000 0.267 277 Q C -0.822 175.023 176.000 -0.259 0.000 0.999 277 Q CA 0.122 55.834 55.803 -0.152 0.000 0.886 277 Q CB 0.976 29.655 28.738 -0.099 0.000 1.243 277 Q HN 0.630 nan 8.270 nan 0.000 0.415 278 Y N 0.068 120.254 120.300 -0.189 0.000 2.304 278 Y HA 0.356 4.906 4.550 0.000 0.000 0.328 278 Y C 0.730 176.520 175.900 -0.182 0.000 1.123 278 Y CA -0.386 57.487 58.100 -0.378 0.000 1.218 278 Y CB 1.029 39.201 38.460 -0.481 0.000 1.207 278 Y HN 0.649 nan 8.280 nan 0.000 0.495 279 A N 3.739 126.568 122.820 0.016 0.000 2.313 279 A HA 0.258 4.578 4.320 0.000 0.000 0.261 279 A C 0.143 177.705 177.584 -0.035 0.000 1.090 279 A CA -0.806 51.181 52.037 -0.083 0.000 0.807 279 A CB 0.062 18.885 19.000 -0.295 0.000 1.055 279 A HN 0.847 nan 8.150 nan 0.000 0.492 280 N N -0.340 118.275 118.700 -0.142 0.000 2.408 280 N HA 0.387 5.127 4.740 0.000 0.000 0.260 280 N C 0.631 176.036 175.510 -0.176 0.000 1.242 280 N CA 0.123 53.091 53.050 -0.136 0.000 0.959 280 N CB 1.059 39.458 38.487 -0.146 0.000 1.201 280 N HN 0.843 nan 8.380 nan 0.000 0.511 281 L N -3.730 117.432 121.223 -0.102 0.000 3.570 281 L HA -0.284 4.056 4.340 0.000 0.000 0.382 281 L C -0.430 176.665 176.870 0.375 0.000 0.698 281 L CA 1.499 56.401 54.840 0.103 0.000 2.990 281 L CB -1.376 40.705 42.059 0.036 0.000 0.731 281 L HN 0.508 nan 8.230 nan 0.000 0.725 282 Y N 1.375 121.676 120.300 0.001 0.000 2.346 282 Y HA 0.410 4.960 4.550 0.000 0.000 0.330 282 Y C 0.957 176.849 175.900 -0.012 0.000 1.178 282 Y CA -0.496 57.477 58.100 -0.211 0.000 1.331 282 Y CB 0.426 38.319 38.460 -0.945 0.000 1.253 282 Y HN 0.045 nan 8.280 nan 0.000 0.529 283 R N 2.798 123.395 120.500 0.162 0.000 2.247 283 R HA 0.280 4.620 4.340 0.000 0.000 0.329 283 R C -1.594 174.759 176.300 0.088 0.000 1.014 283 R CA -0.425 55.776 56.100 0.168 0.000 0.907 283 R CB 0.047 30.384 30.300 0.062 0.000 1.146 283 R HN 0.411 nan 8.270 nan 0.000 0.499 284 Y N 3.333 123.749 120.300 0.193 0.000 2.486 284 Y HA 0.065 4.615 4.550 0.000 0.000 0.348 284 Y C 1.244 177.210 175.900 0.110 0.000 1.000 284 Y CA -0.302 57.924 58.100 0.209 0.000 1.253 284 Y CB 0.557 39.161 38.460 0.239 0.000 1.140 284 Y HN 0.483 nan 8.280 nan 0.000 0.526 285 L N 1.875 123.221 121.223 0.204 0.000 2.162 285 L HA 0.031 4.371 4.340 0.000 0.000 0.205 285 L C 0.779 177.763 176.870 0.190 0.000 1.086 285 L CA 0.637 55.536 54.840 0.098 0.000 0.778 285 L CB -0.130 41.906 42.059 -0.039 0.000 0.928 285 L HN 0.623 nan 8.230 nan 0.000 0.446 286 S N -1.964 113.913 115.700 0.295 0.000 2.570 286 S HA 0.613 5.083 4.470 0.000 0.000 0.270 286 S C -0.616 174.182 174.600 0.331 0.000 1.149 286 S CA -0.678 57.667 58.200 0.241 0.000 0.837 286 S CB 2.381 65.768 63.200 0.311 0.000 1.124 286 S HN -0.065 nan 8.310 nan 0.000 0.465 287 T N 2.445 117.104 114.554 0.176 0.000 2.886 287 T HA 0.594 4.944 4.350 0.000 0.000 0.292 287 T C -1.144 173.535 174.700 -0.035 0.000 1.012 287 T CA -0.562 61.600 62.100 0.102 0.000 0.982 287 T CB 1.063 70.039 68.868 0.179 0.000 1.018 287 T HN 0.635 nan 8.240 nan 0.000 0.451 288 I N 2.520 123.003 120.570 -0.144 0.000 2.465 288 I HA 0.705 4.875 4.170 0.000 0.000 0.291 288 I C -0.273 175.698 176.117 -0.244 0.000 1.014 288 I CA -0.870 60.389 61.300 -0.070 0.000 1.093 288 I CB 1.565 39.624 38.000 0.099 0.000 1.267 288 I HN 0.788 nan 8.210 nan 0.000 0.431 289 A N 6.769 129.499 122.820 -0.151 0.000 2.335 289 A HA 0.720 5.040 4.320 0.000 0.000 0.304 289 A C -1.067 176.591 177.584 0.123 0.000 1.118 289 A CA -0.481 51.478 52.037 -0.130 0.000 0.757 289 A CB 1.367 20.194 19.000 -0.289 0.000 1.188 289 A HN 0.360 nan 8.150 nan 0.000 0.460 290 V N 3.303 123.306 119.914 0.149 0.000 2.370 290 V HA 0.322 4.442 4.120 0.000 0.000 0.283 290 V C -0.684 175.588 176.094 0.297 0.000 1.023 290 V CA -0.399 62.035 62.300 0.222 0.000 0.857 290 V CB 1.215 33.120 31.823 0.138 0.000 0.985 290 V HN 0.781 nan 8.190 nan 0.000 0.443 291 F N 5.283 125.318 119.950 0.141 0.000 2.406 291 F HA 0.372 4.899 4.527 0.000 0.000 0.358 291 F C 0.441 176.119 175.800 -0.204 0.000 1.161 291 F CA -1.822 56.177 58.000 -0.002 0.000 1.185 291 F CB 0.183 39.205 39.000 0.036 0.000 1.421 291 F HN 0.602 nan 8.300 nan 0.000 0.576 292 D N 4.223 124.600 120.400 -0.039 0.000 2.435 292 D HA -0.028 4.612 4.640 0.000 0.000 0.230 292 D C -0.113 175.851 176.300 -0.561 0.000 1.215 292 D CA 0.095 53.758 54.000 -0.561 0.000 0.947 292 D CB -0.302 40.415 40.800 -0.138 0.000 1.048 292 D HN 0.272 nan 8.370 nan 0.000 0.512 293 N N 2.825 120.945 118.700 -0.966 0.000 3.050 293 N HA 0.204 4.944 4.740 0.000 0.000 0.289 293 N C 0.746 175.949 175.510 -0.512 0.000 1.209 293 N CA 0.404 52.934 53.050 -0.867 0.000 1.154 293 N CB -0.406 37.360 38.487 -1.201 0.000 1.444 293 N HN 0.609 nan 8.380 nan 0.000 0.529 294 G N 0.983 109.581 108.800 -0.336 0.000 2.305 294 G HA2 -0.216 3.744 3.960 0.000 0.000 0.287 294 G HA3 -0.216 3.744 3.960 0.000 0.000 0.287 294 G C 0.967 175.738 174.900 -0.214 0.000 1.036 294 G CA 0.539 45.510 45.100 -0.214 0.000 0.887 294 G HN 1.117 nan 8.290 nan 0.000 0.505 295 G N -2.371 106.257 108.800 -0.286 0.000 2.195 295 G HA2 -0.052 3.908 3.960 0.000 0.000 0.246 295 G HA3 -0.052 3.908 3.960 0.000 0.000 0.246 295 G C 0.451 175.231 174.900 -0.201 0.000 0.984 295 G CA 0.663 45.670 45.100 -0.154 0.000 0.633 295 G HN 1.749 nan 8.290 nan 0.000 0.525 296 S N 0.190 115.638 115.700 -0.421 0.000 2.489 296 S HA 0.763 5.233 4.470 0.000 0.000 0.291 296 S C -0.803 173.398 174.600 -0.665 0.000 1.151 296 S CA -0.315 57.683 58.200 -0.335 0.000 1.082 296 S CB 0.915 63.947 63.200 -0.279 0.000 1.019 296 S HN 0.305 nan 8.310 nan 0.000 0.492 297 F N 2.917 122.759 119.950 -0.179 0.000 2.445 297 F HA 0.440 4.967 4.527 0.000 0.000 0.348 297 F C 0.462 176.199 175.800 -0.106 0.000 1.125 297 F CA -0.847 57.056 58.000 -0.160 0.000 0.983 297 F CB 1.172 40.078 39.000 -0.157 0.000 1.198 297 F HN 0.390 nan 8.300 nan 0.000 0.436 298 N N 1.428 120.121 118.700 -0.013 0.000 2.384 298 N HA 0.498 5.238 4.740 0.000 0.000 0.301 298 N C -0.456 175.116 175.510 0.105 0.000 1.133 298 N CA -0.698 52.367 53.050 0.024 0.000 0.853 298 N CB 2.215 40.681 38.487 -0.035 0.000 1.241 298 N HN 0.568 nan 8.380 nan 0.000 0.502 299 A N 0.596 123.476 122.820 0.099 0.000 3.063 299 A HA 0.460 4.780 4.320 0.000 0.000 0.263 299 A C 1.351 179.041 177.584 0.177 0.000 1.736 299 A CA 0.333 52.446 52.037 0.127 0.000 1.408 299 A CB -1.430 17.626 19.000 0.092 0.000 1.108 299 A HN 0.914 nan 8.150 nan 0.000 0.621 300 G N 0.987 109.955 108.800 0.281 0.000 2.302 300 G HA2 -0.421 3.539 3.960 0.000 0.000 0.263 300 G HA3 -0.421 3.539 3.960 0.000 0.000 0.263 300 G C 1.343 176.329 174.900 0.143 0.000 0.995 300 G CA 1.541 46.802 45.100 0.269 0.000 0.622 300 G HN 1.533 nan 8.290 nan 0.000 0.538 301 T N -0.622 113.996 114.554 0.107 0.000 2.977 301 T HA 0.050 4.400 4.350 0.000 0.000 0.271 301 T C 1.475 176.203 174.700 0.047 0.000 1.105 301 T CA 1.857 63.995 62.100 0.063 0.000 1.116 301 T CB -0.231 68.662 68.868 0.043 0.000 0.878 301 T HN 0.622 nan 8.240 nan 0.000 0.509 302 D N 0.358 120.797 120.400 0.066 0.000 2.388 302 D HA 0.253 4.893 4.640 0.000 0.000 0.221 302 D C 0.154 176.536 176.300 0.136 0.000 1.133 302 D CA -0.494 53.551 54.000 0.076 0.000 0.831 302 D CB -0.306 40.499 40.800 0.009 0.000 0.962 302 D HN 0.476 nan 8.370 nan 0.000 0.502 303 I N 0.422 121.026 120.570 0.058 0.000 2.545 303 I HA 0.218 4.388 4.170 0.000 0.000 0.292 303 I C 0.608 176.671 176.117 -0.090 0.000 1.040 303 I CA -0.872 60.391 61.300 -0.062 0.000 1.068 303 I CB 2.152 40.053 38.000 -0.165 0.000 1.251 303 I HN -0.268 nan 8.210 nan 0.000 0.424 304 N N 3.804 122.401 118.700 -0.171 0.000 2.197 304 N HA 0.002 4.742 4.740 0.000 0.000 0.184 304 N C -0.576 174.933 175.510 -0.001 0.000 1.030 304 N CA 1.406 54.397 53.050 -0.098 0.000 0.851 304 N CB 0.251 38.635 38.487 -0.172 0.000 1.003 304 N HN 0.628 nan 8.380 nan 0.000 0.430 305 Y N -1.964 118.255 120.300 -0.135 0.000 2.713 305 Y HA 0.633 5.183 4.550 0.000 0.000 0.335 305 Y C -1.774 173.949 175.900 -0.294 0.000 1.222 305 Y CA -1.439 56.565 58.100 -0.161 0.000 1.061 305 Y CB 0.484 38.889 38.460 -0.090 0.000 1.314 305 Y HN -0.276 nan 8.280 nan 0.000 0.453 306 L N 1.622 122.783 121.223 -0.104 0.000 2.333 306 L HA 0.921 5.261 4.340 0.000 0.000 0.263 306 L C -0.107 176.643 176.870 -0.201 0.000 1.014 306 L CA -0.562 53.981 54.840 -0.495 0.000 0.820 306 L CB 2.221 43.484 42.059 -1.327 0.000 1.352 306 L HN 0.880 nan 8.230 nan 0.000 0.421 307 S N -0.227 115.258 115.700 -0.358 0.000 2.636 307 S HA 0.575 5.045 4.470 0.000 0.000 0.268 307 S C -2.043 172.421 174.600 -0.227 0.000 1.159 307 S CA -0.624 57.535 58.200 -0.068 0.000 0.815 307 S CB 1.625 64.821 63.200 -0.006 0.000 1.130 307 S HN 0.576 nan 8.310 nan 0.000 0.471 308 Q N 1.178 120.965 119.800 -0.021 0.000 2.337 308 Q HA 0.551 4.891 4.340 0.000 0.000 0.270 308 Q C -1.004 175.001 176.000 0.008 0.000 1.043 308 Q CA -0.607 55.215 55.803 0.031 0.000 0.794 308 Q CB 2.364 31.171 28.738 0.116 0.000 1.281 308 Q HN 0.561 nan 8.270 nan 0.000 0.446 309 R N 1.017 121.530 120.500 0.023 0.000 2.673 309 R HA 0.534 4.874 4.340 0.000 0.000 0.281 309 R C -1.000 175.301 176.300 0.002 0.000 0.991 309 R CA -0.256 55.841 56.100 -0.005 0.000 0.896 309 R CB 1.761 32.054 30.300 -0.011 0.000 1.201 309 R HN 0.745 nan 8.270 nan 0.000 0.457 310 T N 0.174 114.711 114.554 -0.029 0.000 2.952 310 T HA 0.574 4.924 4.350 0.000 0.000 0.286 310 T C 0.291 174.989 174.700 -0.005 0.000 1.024 310 T CA -0.762 61.326 62.100 -0.020 0.000 1.029 310 T CB 1.669 70.495 68.868 -0.069 0.000 1.094 310 T HN 0.645 nan 8.240 nan 0.000 0.515 311 A N 1.171 123.999 122.820 0.014 0.000 2.535 311 A HA 0.517 4.837 4.320 0.000 0.000 0.290 311 A C 1.290 178.881 177.584 0.011 0.000 1.270 311 A CA 0.295 52.339 52.037 0.011 0.000 0.937 311 A CB -2.162 16.848 19.000 0.017 0.000 1.096 311 A HN 1.886 nan 8.150 nan 0.000 0.534 312 N N 0.014 118.713 118.700 -0.001 0.000 2.779 312 N HA 0.402 5.142 4.740 0.000 0.000 0.201 312 N C 1.012 176.514 175.510 -0.013 0.000 1.349 312 N CA 0.802 53.850 53.050 -0.003 0.000 2.299 312 N CB -1.836 36.652 38.487 0.002 0.000 1.205 312 N HN 2.243 nan 8.380 nan 0.000 0.827 313 F N -0.425 119.515 119.950 -0.016 0.000 2.935 313 F HA -0.153 4.374 4.527 0.000 0.000 0.317 313 F C 0.925 176.706 175.800 -0.032 0.000 0.699 313 F CA 1.295 59.283 58.000 -0.021 0.000 1.127 313 F CB -2.311 36.678 39.000 -0.018 0.000 1.491 313 F HN 0.962 nan 8.300 nan 0.000 0.337 314 S N 1.525 117.203 115.700 -0.037 0.000 2.416 314 S HA 0.436 4.906 4.470 0.000 0.000 0.287 314 S C -0.214 174.350 174.600 -0.060 0.000 1.139 314 S CA -0.111 58.059 58.200 -0.051 0.000 1.058 314 S CB 0.483 63.648 63.200 -0.058 0.000 0.967 314 S HN 0.501 nan 8.310 nan 0.000 0.495 315 D N 2.175 122.538 120.400 -0.062 0.000 2.256 315 D HA 0.179 4.819 4.640 0.000 0.000 0.250 315 D C 1.162 177.424 176.300 -0.063 0.000 1.093 315 D CA 0.007 53.971 54.000 -0.060 0.000 0.882 315 D CB 1.693 42.449 40.800 -0.074 0.000 1.185 315 D HN 0.568 nan 8.370 nan 0.000 0.437 316 T N -0.826 113.694 114.554 -0.057 0.000 3.037 316 T HA 0.039 4.389 4.350 0.000 0.000 0.251 316 T C 0.947 175.620 174.700 -0.046 0.000 1.079 316 T CA -0.189 61.873 62.100 -0.064 0.000 1.067 316 T CB 0.252 69.071 68.868 -0.082 0.000 0.948 316 T HN 0.583 nan 8.240 nan 0.000 0.496 317 R N 0.390 120.879 120.500 -0.018 0.000 2.714 317 R HA 0.312 4.652 4.340 0.000 0.000 0.214 317 R C -0.864 175.489 176.300 0.088 0.000 1.474 317 R CA -0.652 55.450 56.100 0.004 0.000 1.435 317 R CB -0.274 29.996 30.300 -0.049 0.000 1.517 317 R HN 0.082 nan 8.270 nan 0.000 0.748 318 K N 2.990 123.400 120.400 0.016 0.000 2.315 318 K HA 0.281 4.601 4.320 0.000 0.000 0.291 318 K C -0.959 175.653 176.600 0.019 0.000 1.074 318 K CA -0.122 56.152 56.287 -0.021 0.000 0.936 318 K CB 0.458 32.840 32.500 -0.198 0.000 1.049 318 K HN 0.451 nan 8.250 nan 0.000 0.471 319 L N 3.261 124.588 121.223 0.174 0.000 2.371 319 L HA 0.347 4.687 4.340 0.000 0.000 0.262 319 L C -0.384 176.616 176.870 0.217 0.000 1.006 319 L CA -1.376 53.585 54.840 0.202 0.000 0.818 319 L CB 2.015 44.262 42.059 0.313 0.000 1.354 319 L HN 0.732 nan 8.230 nan 0.000 0.415 320 D N 0.335 120.836 120.400 0.168 0.000 2.357 320 D HA 0.149 4.789 4.640 0.000 0.000 0.242 320 D C -2.126 174.283 176.300 0.181 0.000 1.153 320 D CA -1.225 52.867 54.000 0.153 0.000 0.918 320 D CB 0.660 41.530 40.800 0.117 0.000 1.181 320 D HN 0.192 nan 8.370 nan 0.000 0.435 321 P HA -0.224 nan 4.420 nan 0.000 0.216 321 P C 1.152 178.622 177.300 0.283 0.000 1.153 321 P CA 1.514 64.712 63.100 0.164 0.000 0.858 321 P CB 0.086 31.850 31.700 0.108 0.000 0.789 322 K N -0.992 119.535 120.400 0.212 0.000 2.097 322 K HA -0.082 4.238 4.320 0.000 0.000 0.205 322 K C 1.731 178.454 176.600 0.205 0.000 1.050 322 K CA 1.586 57.991 56.287 0.197 0.000 0.938 322 K CB -0.394 32.188 32.500 0.136 0.000 0.718 322 K HN 0.057 nan 8.250 nan 0.000 0.442 323 T N 0.447 115.120 114.554 0.198 0.000 2.904 323 T HA -0.142 4.208 4.350 0.000 0.000 0.267 323 T C 1.137 175.967 174.700 0.216 0.000 1.059 323 T CA 0.772 62.973 62.100 0.167 0.000 1.137 323 T CB -0.198 68.748 68.868 0.130 0.000 0.879 323 T HN 0.440 nan 8.240 nan 0.000 0.467 324 W N 2.239 123.607 121.300 0.114 0.000 2.355 324 W HA -0.083 4.577 4.660 0.000 0.000 0.309 324 W C 2.464 179.103 176.519 0.200 0.000 1.206 324 W CA 1.286 58.721 57.345 0.149 0.000 1.284 324 W CB -0.630 28.925 29.460 0.158 0.000 1.145 324 W HN 0.289 nan 8.180 nan 0.000 0.502 325 A N 0.909 124.031 122.820 0.504 0.000 1.933 325 A HA -0.079 4.241 4.320 0.000 0.000 0.218 325 A C 2.190 179.899 177.584 0.209 0.000 1.175 325 A CA 2.623 54.889 52.037 0.381 0.000 0.628 325 A CB -1.234 17.962 19.000 0.326 0.000 0.814 325 A HN 0.299 nan 8.150 nan 0.000 0.444 326 A N -0.956 121.958 122.820 0.156 0.000 1.902 326 A HA -0.198 4.122 4.320 0.000 0.000 0.217 326 A C 2.113 179.731 177.584 0.056 0.000 1.181 326 A CA 1.633 53.724 52.037 0.090 0.000 0.623 326 A CB -0.464 18.580 19.000 0.074 0.000 0.818 326 A HN 0.523 nan 8.150 nan 0.000 0.443 327 Q N -0.633 119.179 119.800 0.019 0.000 2.124 327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 327 Q C 2.148 178.168 176.000 0.032 0.000 0.977 327 Q CA 1.988 57.772 55.803 -0.032 0.000 0.850 327 Q CB -0.942 27.692 28.738 -0.173 0.000 0.901 327 Q HN 0.653 nan 8.270 nan 0.000 0.429 328 T N 0.979 115.592 114.554 0.098 0.000 2.821 328 T HA -0.068 4.282 4.350 0.000 0.000 0.267 328 T C 1.800 176.564 174.700 0.107 0.000 1.046 328 T CA 0.739 62.968 62.100 0.215 0.000 1.139 328 T CB -0.050 69.041 68.868 0.372 0.000 0.871 328 T HN 0.256 nan 8.240 nan 0.000 0.454 329 R N 0.722 121.265 120.500 0.072 0.000 2.152 329 R HA 0.028 4.368 4.340 0.000 0.000 0.232 329 R C 2.440 178.746 176.300 0.010 0.000 1.117 329 R CA 0.760 56.872 56.100 0.020 0.000 0.981 329 R CB -0.070 30.247 30.300 0.027 0.000 0.870 329 R HN 0.227 nan 8.270 nan 0.000 0.451 330 R N 0.171 120.688 120.500 0.028 0.000 2.189 330 R HA 0.015 4.355 4.340 0.000 0.000 0.218 330 R C 1.857 178.173 176.300 0.027 0.000 1.074 330 R CA 0.729 56.842 56.100 0.021 0.000 0.991 330 R CB 0.020 30.334 30.300 0.022 0.000 0.883 330 R HN 0.171 nan 8.270 nan 0.000 0.457 331 R N 0.434 120.963 120.500 0.049 0.000 2.146 331 R HA 0.155 4.495 4.340 0.000 0.000 0.206 331 R C 2.027 178.317 176.300 -0.017 0.000 1.049 331 R CA 0.784 56.921 56.100 0.062 0.000 1.029 331 R CB 0.042 30.455 30.300 0.189 0.000 0.949 331 R HN 0.312 nan 8.270 nan 0.000 0.471 332 I N -3.951 116.569 120.570 -0.083 0.000 4.050 332 I HA 0.479 4.649 4.170 0.000 0.000 0.327 332 I C 0.491 176.519 176.117 -0.149 0.000 1.473 332 I CA 0.089 61.287 61.300 -0.170 0.000 1.124 332 I CB 0.899 38.671 38.000 -0.381 0.000 1.129 332 I HN -0.038 nan 8.210 nan 0.000 0.428 333 A N 0.254 123.019 122.820 -0.091 0.000 2.861 333 A HA -0.212 4.108 4.320 0.000 0.000 0.261 333 A C 0.637 178.174 177.584 -0.078 0.000 1.351 333 A CA 1.666 53.661 52.037 -0.070 0.000 0.904 333 A CB -2.301 16.661 19.000 -0.063 0.000 1.076 333 A HN 0.813 nan 8.150 nan 0.000 0.729 334 T N -1.845 112.644 114.554 -0.108 0.000 2.654 334 T HA 0.494 4.843 4.350 0.000 0.000 0.303 334 T C -2.128 172.494 174.700 -0.131 0.000 1.656 334 T CA 0.131 62.170 62.100 -0.102 0.000 0.971 334 T CB 0.933 69.732 68.868 -0.115 0.000 1.811 334 T HN 0.287 nan 8.240 nan 0.000 0.483 335 D N 0.621 120.962 120.400 -0.098 0.000 2.229 335 D HA 0.525 5.165 4.640 0.000 0.000 0.249 335 D C -0.254 175.952 176.300 -0.156 0.000 1.027 335 D CA -0.117 53.844 54.000 -0.065 0.000 0.923 335 D CB 0.744 41.557 40.800 0.021 0.000 1.174 335 D HN 0.290 nan 8.370 nan 0.000 0.443 336 F N 0.729 120.614 119.950 -0.107 0.000 2.435 336 F HA 0.221 4.748 4.527 0.000 0.000 0.316 336 F C -1.343 174.354 175.800 -0.172 0.000 1.220 336 F CA -1.334 56.525 58.000 -0.236 0.000 1.241 336 F CB -0.205 38.551 39.000 -0.406 0.000 1.234 336 F HN 0.076 nan 8.300 nan 0.000 0.569 337 P HA -0.004 nan 4.420 nan 0.000 0.270 337 P C -1.085 176.248 177.300 0.054 0.000 1.227 337 P CA -0.269 62.896 63.100 0.109 0.000 0.788 337 P CB 0.310 32.179 31.700 0.281 0.000 0.926 338 K N 1.142 121.582 120.400 0.067 0.000 2.530 338 K HA 0.117 4.437 4.320 0.000 0.000 0.280 338 K C 1.281 177.941 176.600 0.100 0.000 1.004 338 K CA 1.260 57.587 56.287 0.065 0.000 1.071 338 K CB -0.767 31.791 32.500 0.097 0.000 0.876 338 K HN 0.866 nan 8.250 nan 0.000 0.487 339 G N 1.196 110.001 108.800 0.008 0.000 2.184 339 G HA2 -0.254 3.706 3.960 0.000 0.000 0.264 339 G HA3 -0.254 3.706 3.960 0.000 0.000 0.264 339 G C 0.011 174.853 174.900 -0.097 0.000 0.975 339 G CA 0.059 45.217 45.100 0.098 0.000 0.642 339 G HN 0.427 nan 8.290 nan 0.000 0.536 340 V N 1.007 120.702 119.914 -0.365 0.000 2.370 340 V HA 0.655 4.775 4.120 0.000 0.000 0.283 340 V C -0.323 175.412 176.094 -0.598 0.000 1.023 340 V CA -0.819 61.271 62.300 -0.349 0.000 0.857 340 V CB 0.842 32.440 31.823 -0.375 0.000 0.985 340 V HN 0.248 nan 8.190 nan 0.000 0.443 341 Y N 4.160 124.494 120.300 0.057 0.000 2.409 341 Y HA 0.621 5.171 4.550 0.000 0.000 0.343 341 Y C -0.509 175.567 175.900 0.293 0.000 0.973 341 Y CA -0.861 57.375 58.100 0.227 0.000 1.064 341 Y CB 1.787 40.302 38.460 0.092 0.000 1.207 341 Y HN 0.631 nan 8.280 nan 0.000 0.452 342 Y N 2.169 122.771 120.300 0.503 0.000 2.468 342 Y HA 0.671 5.221 4.550 0.000 0.000 0.342 342 Y C -1.181 175.017 175.900 0.496 0.000 1.021 342 Y CA -1.809 56.482 58.100 0.318 0.000 1.079 342 Y CB 1.707 40.274 38.460 0.178 0.000 1.226 342 Y HN 0.804 nan 8.280 nan 0.000 0.460 343 C N 6.703 125.742 119.300 -0.436 0.000 2.432 343 C HA 0.360 4.820 4.460 0.000 0.000 0.334 343 C C -1.295 173.314 174.990 -0.636 0.000 1.155 343 C CA -0.720 58.108 59.018 -0.316 0.000 1.335 343 C CB -0.068 27.864 27.740 0.321 0.000 1.964 343 C HN 0.886 nan 8.230 nan 0.000 0.444 344 D N 4.038 124.140 120.400 -0.497 0.000 2.280 344 D HA 0.279 4.919 4.640 0.000 0.000 0.243 344 D C 0.054 176.321 176.300 -0.055 0.000 1.129 344 D CA 0.295 54.174 54.000 -0.202 0.000 0.848 344 D CB 0.737 41.554 40.800 0.028 0.000 1.107 344 D HN 0.711 nan 8.370 nan 0.000 0.471 345 N N 3.557 122.264 118.700 0.012 0.000 2.433 345 N HA 0.099 4.839 4.740 0.000 0.000 0.270 345 N C 1.093 176.629 175.510 0.043 0.000 1.354 345 N CA -0.177 52.891 53.050 0.029 0.000 0.889 345 N CB 0.717 39.230 38.487 0.044 0.000 1.285 345 N HN 0.360 nan 8.380 nan 0.000 0.503 346 R N 0.469 121.003 120.500 0.057 0.000 2.081 346 R HA -0.041 4.299 4.340 0.000 0.000 0.235 346 R C 0.722 177.033 176.300 0.019 0.000 1.131 346 R CA 1.131 57.258 56.100 0.046 0.000 0.960 346 R CB 0.106 30.473 30.300 0.112 0.000 0.856 346 R HN 0.126 nan 8.270 nan 0.000 0.436 347 D N 0.402 120.821 120.400 0.031 0.000 2.234 347 D HA -0.035 4.605 4.640 0.000 0.000 0.205 347 D C 0.198 176.511 176.300 0.022 0.000 0.962 347 D CA 1.210 55.225 54.000 0.024 0.000 0.855 347 D CB 0.244 41.060 40.800 0.027 0.000 0.951 347 D HN 0.120 nan 8.370 nan 0.000 0.500 348 K N 0.907 121.324 120.400 0.027 0.000 2.827 348 K HA 0.290 4.610 4.320 0.000 0.000 0.186 348 K C -2.755 173.874 176.600 0.049 0.000 1.093 348 K CA -1.450 54.862 56.287 0.041 0.000 0.993 348 K CB 2.372 34.900 32.500 0.047 0.000 1.199 348 K HN -0.116 nan 8.250 nan 0.000 0.598 349 P HA -0.037 nan 4.420 nan 0.000 0.265 349 P C -0.112 177.259 177.300 0.118 0.000 1.187 349 P CA -0.199 62.943 63.100 0.071 0.000 0.766 349 P CB 0.450 32.177 31.700 0.044 0.000 0.820 350 I N 3.633 124.266 120.570 0.106 0.000 2.587 350 I HA 0.002 4.172 4.170 0.000 0.000 0.284 350 I C -0.034 176.252 176.117 0.282 0.000 1.134 350 I CA 0.254 61.581 61.300 0.045 0.000 1.410 350 I CB -1.190 36.585 38.000 -0.374 0.000 1.392 350 I HN 0.402 nan 8.210 nan 0.000 0.545 351 Y N 5.654 126.014 120.300 0.099 0.000 2.317 351 Y HA 0.153 4.703 4.550 0.000 0.000 0.325 351 Y C 1.263 177.228 175.900 0.108 0.000 1.066 351 Y CA -1.202 56.973 58.100 0.126 0.000 1.203 351 Y CB 1.485 40.007 38.460 0.104 0.000 1.127 351 Y HN 0.706 nan 8.280 nan 0.000 0.451 352 T N 0.344 114.855 114.554 -0.072 0.000 3.118 352 T HA -0.122 4.228 4.350 0.000 0.000 0.269 352 T C 1.642 176.214 174.700 -0.214 0.000 1.166 352 T CA 1.645 63.686 62.100 -0.098 0.000 1.073 352 T CB -0.584 68.243 68.868 -0.068 0.000 0.884 352 T HN 0.529 nan 8.240 nan 0.000 0.550 353 L N -0.109 120.816 121.223 -0.496 0.000 2.249 353 L HA 0.404 4.744 4.340 0.000 0.000 0.207 353 L C 2.807 179.571 176.870 -0.177 0.000 1.090 353 L CA 1.483 56.086 54.840 -0.396 0.000 0.802 353 L CB -1.600 40.078 42.059 -0.635 0.000 0.947 353 L HN 0.479 nan 8.230 nan 0.000 0.453 354 Q N -1.705 118.058 119.800 -0.061 0.000 2.124 354 Q HA -0.065 4.275 4.340 0.000 0.000 0.202 354 Q C 0.224 175.984 176.000 -0.399 0.000 0.977 354 Q CA 1.822 57.575 55.803 -0.082 0.000 0.850 354 Q CB 0.048 28.877 28.738 0.153 0.000 0.901 354 Q HN 0.790 nan 8.270 nan 0.000 0.429 355 Y N -2.698 117.600 120.300 -0.002 0.000 2.889 355 Y HA 0.473 5.023 4.550 0.000 0.000 0.317 355 Y C 0.761 176.643 175.900 -0.030 0.000 1.414 355 Y CA -0.801 57.294 58.100 -0.009 0.000 1.091 355 Y CB 0.362 38.822 38.460 -0.000 0.000 1.358 355 Y HN -0.002 nan 8.280 nan 0.000 0.487 356 G N -0.046 108.857 108.800 0.171 0.000 2.466 356 G HA2 -0.027 3.933 3.960 0.000 0.000 0.279 356 G HA3 -0.027 3.933 3.960 0.000 0.000 0.279 356 G C -0.370 174.562 174.900 0.053 0.000 1.410 356 G CA -0.521 44.621 45.100 0.070 0.000 1.065 356 G HN 0.681 nan 8.290 nan 0.000 0.547 357 N N -2.223 116.494 118.700 0.027 0.000 2.444 357 N HA 0.319 5.059 4.740 0.000 0.000 0.255 357 N C -0.715 174.826 175.510 0.052 0.000 1.255 357 N CA -0.439 52.628 53.050 0.027 0.000 0.933 357 N CB 0.616 39.108 38.487 0.008 0.000 1.143 357 N HN 0.136 nan 8.380 nan 0.000 0.453 358 V N -0.014 119.953 119.914 0.089 0.000 2.962 358 V HA 0.734 4.854 4.120 0.000 0.000 0.313 358 V C 0.357 176.616 176.094 0.274 0.000 1.099 358 V CA -0.746 61.632 62.300 0.129 0.000 0.971 358 V CB 1.747 33.602 31.823 0.054 0.000 1.028 358 V HN 0.850 nan 8.190 nan 0.000 0.430 359 G N 0.899 109.849 108.800 0.250 0.000 2.619 359 G HA2 0.675 4.635 3.960 0.000 0.000 0.296 359 G HA3 0.675 4.635 3.960 0.000 0.000 0.296 359 G C -2.024 173.034 174.900 0.263 0.000 1.334 359 G CA -0.608 44.609 45.100 0.195 0.000 0.934 359 G HN 0.483 nan 8.290 nan 0.000 0.476 360 F N 1.704 121.652 119.950 -0.003 0.000 2.420 360 F HA 0.655 5.182 4.527 0.000 0.000 0.342 360 F C -0.240 175.543 175.800 -0.028 0.000 1.113 360 F CA -0.518 57.514 58.000 0.053 0.000 1.059 360 F CB 1.769 40.748 39.000 -0.036 0.000 1.128 360 F HN 0.284 nan 8.300 nan 0.000 0.475 361 V N 6.449 126.097 119.914 -0.444 0.000 2.555 361 V HA 0.593 4.713 4.120 0.000 0.000 0.302 361 V C -0.829 175.054 176.094 -0.351 0.000 1.038 361 V CA -0.876 61.270 62.300 -0.257 0.000 0.887 361 V CB 1.601 33.340 31.823 -0.140 0.000 0.991 361 V HN 0.571 nan 8.190 nan 0.000 0.434 362 V N 3.828 123.634 119.914 -0.181 0.000 2.577 362 V HA 0.470 4.590 4.120 0.000 0.000 0.303 362 V C -0.379 175.508 176.094 -0.345 0.000 1.042 362 V CA -0.628 61.486 62.300 -0.309 0.000 0.872 362 V CB 2.019 33.664 31.823 -0.298 0.000 0.998 362 V HN 0.898 nan 8.190 nan 0.000 0.423 363 N N 6.771 125.126 118.700 -0.576 0.000 2.558 363 N HA 0.373 5.113 4.740 0.000 0.000 0.242 363 N C -2.777 172.439 175.510 -0.490 0.000 0.979 363 N CA -1.621 51.067 53.050 -0.604 0.000 0.931 363 N CB 2.588 40.400 38.487 -1.125 0.000 1.122 363 N HN 0.342 nan 8.380 nan 0.000 0.508 364 P HA 0.127 nan 4.420 nan 0.000 0.275 364 P C 0.193 177.420 177.300 -0.122 0.000 1.228 364 P CA -0.178 62.786 63.100 -0.226 0.000 0.786 364 P CB 2.054 33.620 31.700 -0.224 0.000 0.927 365 K N 1.483 121.855 120.400 -0.046 0.000 2.168 365 K HA 0.081 4.401 4.320 0.000 0.000 0.201 365 K C -0.028 176.569 176.600 -0.005 0.000 1.049 365 K CA 0.960 57.229 56.287 -0.029 0.000 0.974 365 K CB 0.272 32.765 32.500 -0.012 0.000 0.792 365 K HN 0.430 nan 8.250 nan 0.000 0.463 366 T N 0.910 115.481 114.554 0.029 0.000 2.886 366 T HA 0.432 4.782 4.350 0.000 0.000 0.292 366 T C -1.401 173.328 174.700 0.048 0.000 1.012 366 T CA -0.691 61.417 62.100 0.012 0.000 0.982 366 T CB 2.358 71.215 68.868 -0.018 0.000 1.018 366 T HN -0.163 nan 8.240 nan 0.000 0.451 367 V N 4.171 124.093 119.914 0.013 0.000 2.447 367 V HA 0.413 4.533 4.120 0.000 0.000 0.292 367 V C -0.335 175.734 176.094 -0.042 0.000 1.021 367 V CA -1.116 61.197 62.300 0.023 0.000 0.850 367 V CB 1.523 33.356 31.823 0.017 0.000 1.005 367 V HN 0.769 nan 8.190 nan 0.000 0.426 368 N N 2.544 121.187 118.700 -0.094 0.000 2.408 368 N HA 0.324 5.064 4.740 0.000 0.000 0.260 368 N C 0.036 175.498 175.510 -0.081 0.000 1.242 368 N CA -0.521 52.468 53.050 -0.102 0.000 0.959 368 N CB 0.671 39.066 38.487 -0.154 0.000 1.201 368 N HN 0.633 nan 8.380 nan 0.000 0.511 369 Q N 0.820 120.579 119.800 -0.068 0.000 2.364 369 Q HA 0.072 4.412 4.340 0.000 0.000 0.267 369 Q C -0.196 175.768 176.000 -0.060 0.000 0.999 369 Q CA 0.182 55.954 55.803 -0.052 0.000 0.886 369 Q CB 0.302 29.016 28.738 -0.040 0.000 1.243 369 Q HN 0.452 nan 8.270 nan 0.000 0.415 370 N N -1.206 117.468 118.700 -0.043 0.000 2.776 370 N HA -0.174 4.566 4.740 0.000 0.000 0.249 370 N C -0.919 174.557 175.510 -0.056 0.000 1.111 370 N CA 0.952 53.979 53.050 -0.039 0.000 0.711 370 N CB -1.348 37.118 38.487 -0.034 0.000 1.065 370 N HN 0.692 nan 8.380 nan 0.000 0.556 371 A N 0.817 123.602 122.820 -0.058 0.000 2.371 371 A HA 0.658 4.978 4.320 0.000 0.000 0.257 371 A C 0.889 178.458 177.584 -0.024 0.000 1.089 371 A CA 0.144 52.157 52.037 -0.042 0.000 0.794 371 A CB 0.646 19.661 19.000 0.025 0.000 1.029 371 A HN 0.471 nan 8.150 nan 0.000 0.488 372 R N 0.795 121.308 120.500 0.022 0.000 2.690 372 R HA 0.613 4.953 4.340 0.000 0.000 0.269 372 R C -2.118 174.215 176.300 0.054 0.000 1.037 372 R CA -0.922 55.172 56.100 -0.009 0.000 0.877 372 R CB 0.920 31.238 30.300 0.031 0.000 1.255 372 R HN 0.470 nan 8.270 nan 0.000 0.467 373 L N 2.675 123.906 121.223 0.014 0.000 2.296 373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 373 L C -0.764 176.181 176.870 0.124 0.000 1.023 373 L CA -1.048 53.833 54.840 0.069 0.000 0.812 373 L CB 1.652 43.751 42.059 0.067 0.000 1.223 373 L HN 0.466 nan 8.230 nan 0.000 0.421 374 L N 4.875 126.190 121.223 0.153 0.000 2.272 374 L HA 0.464 4.804 4.340 0.000 0.000 0.289 374 L C -0.217 176.732 176.870 0.131 0.000 1.032 374 L CA -0.323 54.643 54.840 0.209 0.000 0.810 374 L CB 1.341 43.604 42.059 0.340 0.000 1.205 374 L HN 0.478 nan 8.230 nan 0.000 0.422 375 M N 2.604 122.204 119.600 -0.000 0.000 2.336 375 M HA 0.514 4.994 4.480 0.000 0.000 0.342 375 M C 0.252 176.265 176.300 -0.478 0.000 1.128 375 M CA -0.377 54.739 55.300 -0.308 0.000 1.016 375 M CB 1.574 33.921 32.600 -0.422 0.000 1.665 375 M HN 0.585 nan 8.290 nan 0.000 0.445 376 G N 2.939 111.309 108.800 -0.716 0.000 2.530 376 G HA2 0.696 4.656 3.960 0.000 0.000 0.316 376 G HA3 0.696 4.656 3.960 0.000 0.000 0.316 376 G C -1.899 172.581 174.900 -0.700 0.000 1.298 376 G CA -0.210 44.247 45.100 -1.070 0.000 0.948 376 G HN 0.564 nan 8.290 nan 0.000 0.486 377 Y N 0.108 120.434 120.300 0.044 0.000 2.499 377 Y HA 0.572 5.122 4.550 0.000 0.000 0.347 377 Y C 0.245 176.406 175.900 0.435 0.000 0.987 377 Y CA -0.993 57.336 58.100 0.381 0.000 1.044 377 Y CB 2.711 41.519 38.460 0.581 0.000 1.245 377 Y HN 0.491 nan 8.280 nan 0.000 0.461 378 E N 2.395 122.936 120.200 0.569 0.000 2.176 378 E HA 0.462 4.812 4.350 0.000 0.000 0.267 378 E C -1.825 174.954 176.600 0.297 0.000 0.893 378 E CA -0.699 55.881 56.400 0.299 0.000 0.761 378 E CB 1.380 31.276 29.700 0.328 0.000 1.133 378 E HN 0.576 nan 8.360 nan 0.000 0.409 379 Y N 1.525 121.845 120.300 0.035 0.000 2.638 379 Y HA 0.620 5.170 4.550 0.000 0.000 0.335 379 Y C -1.929 173.945 175.900 -0.045 0.000 1.155 379 Y CA -1.454 56.564 58.100 -0.136 0.000 1.046 379 Y CB 0.721 38.945 38.460 -0.393 0.000 1.303 379 Y HN 0.196 nan 8.280 nan 0.000 0.460 380 F N 0.744 120.803 119.950 0.181 0.000 2.480 380 F HA 0.802 5.329 4.527 0.000 0.000 0.329 380 F C 0.192 176.060 175.800 0.113 0.000 1.091 380 F CA -0.903 57.151 58.000 0.090 0.000 0.972 380 F CB 2.183 41.182 39.000 -0.003 0.000 1.150 380 F HN 0.752 nan 8.300 nan 0.000 0.467 381 T N 0.874 115.585 114.554 0.261 0.000 2.885 381 T HA 0.396 4.746 4.350 0.000 0.000 0.322 381 T C -1.040 173.718 174.700 0.097 0.000 1.387 381 T CA -0.521 61.683 62.100 0.173 0.000 1.041 381 T CB 1.072 70.001 68.868 0.103 0.000 1.287 381 T HN 0.470 nan 8.240 nan 0.000 0.491 382 S N 2.295 118.053 115.700 0.097 0.000 2.549 382 S HA 0.186 4.656 4.470 0.000 0.000 0.283 382 S C 1.469 176.097 174.600 0.045 0.000 1.320 382 S CA -0.453 57.779 58.200 0.053 0.000 1.058 382 S CB 0.950 64.185 63.200 0.059 0.000 0.882 382 S HN 0.714 nan 8.310 nan 0.000 0.498 383 R N 1.980 122.490 120.500 0.018 0.000 2.127 383 R HA -0.118 4.222 4.340 0.000 0.000 0.238 383 R C 0.954 177.272 176.300 0.030 0.000 1.134 383 R CA 1.702 57.809 56.100 0.011 0.000 0.975 383 R CB -0.445 29.862 30.300 0.012 0.000 0.865 383 R HN 0.829 nan 8.270 nan 0.000 0.447 384 T N 0.000 114.575 114.554 0.035 0.000 3.816 384 T HA 0.000 4.350 4.350 0.000 0.000 0.228 384 T CA 0.000 62.123 62.100 0.037 0.000 1.349 384 T CB 0.000 68.885 68.868 0.029 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658