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 1hb5_1_H 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 0.562 4.902 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 3.426 59.229 55.803 -0.000 0.000 0.894 12 Q CB -1.388 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 -1.441 121.379 122.820 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 -1.198 121.622 122.820 0.001 0.000 2.248 14 A HA 0.225 4.545 4.320 0.000 0.000 0.210 14 A C 1.740 179.324 177.584 -0.000 0.000 1.174 14 A CA 1.652 53.690 52.037 0.001 0.000 0.750 14 A CB -0.427 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 0.011 121.234 121.223 -0.000 0.000 2.127 15 L HA -0.178 4.162 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 2.538 57.377 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 0.154 120.653 120.500 -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 2.192 58.292 56.100 -0.000 0.000 0.943 16 R CB -2.237 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 -0.231 118.468 118.700 -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 1.743 54.789 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 0.136 119.932 119.800 -0.007 0.000 2.112 18 Q HA -0.222 4.118 4.340 0.000 0.000 0.206 18 Q C 2.206 178.202 176.000 -0.008 0.000 0.987 18 Q CA 1.758 57.556 55.803 -0.008 0.000 0.858 18 Q CB -0.100 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 -0.148 119.649 119.800 -0.006 0.000 2.123 19 Q HA -0.080 4.260 4.340 0.000 0.000 0.199 19 Q C 2.189 178.186 176.000 -0.006 0.000 0.966 19 Q CA 1.075 56.875 55.803 -0.005 0.000 0.845 19 Q CB -0.172 28.565 28.738 -0.002 0.000 0.907 19 Q HN 0.393 nan 8.270 nan 0.000 0.439 20 A N 1.023 123.839 122.820 -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 1.233 53.264 52.037 -0.009 0.000 0.623 20 A CB -0.361 18.633 19.000 -0.009 0.000 0.818 20 A HN 0.224 nan 8.150 nan 0.000 0.443 21 M N -0.426 119.163 119.600 -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 0.131 122.942 122.820 -0.014 0.000 1.902 22 A HA 0.013 4.333 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 0.179 122.996 122.820 -0.006 0.000 1.930 23 A HA -0.198 4.122 4.320 0.000 0.000 0.217 23 A C 2.079 179.662 177.584 -0.003 0.000 1.175 23 A CA 1.663 53.699 52.037 -0.002 0.000 0.627 23 A CB -0.708 18.292 19.000 0.000 0.000 0.815 23 A HN 0.677 nan 8.150 nan 0.000 0.443 24 N N 0.283 118.977 118.700 -0.010 0.000 2.084 24 N HA -0.129 4.611 4.740 0.000 0.000 0.190 24 N C 1.810 177.312 175.510 -0.014 0.000 1.030 24 N CA 1.627 54.669 53.050 -0.014 0.000 0.849 24 N CB -0.222 38.248 38.487 -0.028 0.000 1.012 24 N HN 0.498 nan 8.380 nan 0.000 0.423 25 L N 0.934 122.147 121.223 -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 1.097 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 -0.104 119.694 119.800 -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 2.118 57.922 55.803 0.002 0.000 0.846 26 Q CB -0.312 28.427 28.738 0.002 0.000 0.902 26 Q HN 0.554 nan 8.270 nan 0.000 0.421 27 A N 0.908 123.733 122.820 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 1.529 53.576 52.037 0.018 0.000 0.627 27 A CB -0.553 18.460 19.000 0.021 0.000 0.815 27 A HN 0.314 nan 8.150 nan 0.000 0.443 28 R N -0.303 120.204 120.500 0.011 0.000 2.083 28 R HA -0.217 4.123 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 2.064 58.171 56.100 0.011 0.000 0.951 28 R CB -0.386 29.913 30.300 0.000 0.000 0.851 28 R HN 0.680 nan 8.270 nan 0.000 0.434 29 Q N 0.158 119.964 119.800 0.009 0.000 2.096 29 Q HA -0.158 4.182 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 1.972 57.780 55.803 0.009 0.000 0.850 29 Q CB -0.136 28.606 28.738 0.006 0.000 0.901 29 Q HN 0.449 nan 8.270 nan 0.000 0.422 30 I N -0.249 120.331 120.570 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 -0.296 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 1.794 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 -0.539 120.699 121.223 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 1.665 56.512 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 -0.464 119.349 119.800 0.021 0.000 2.083 33 Q HA -0.167 4.173 4.340 0.000 0.000 0.198 33 Q C 2.216 178.240 176.000 0.041 0.000 0.969 33 Q CA 1.456 57.274 55.803 0.026 0.000 0.838 33 Q CB 0.093 28.843 28.738 0.020 0.000 0.900 33 Q HN 0.340 nan 8.270 nan 0.000 0.436 34 Q N -0.057 119.769 119.800 0.045 0.000 2.204 34 Q HA 0.108 4.448 4.340 0.000 0.000 0.198 34 Q C 0.857 176.907 176.000 0.083 0.000 0.946 34 Q CA 0.813 56.650 55.803 0.055 0.000 0.859 34 Q CB -0.039 28.724 28.738 0.042 0.000 0.946 34 Q HN 0.421 nan 8.270 nan 0.000 0.474 35 S N -0.458 115.294 115.700 0.087 0.000 2.634 35 S HA 0.302 4.772 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 0.783 64.042 63.200 0.098 0.000 0.968 35 S HN 0.198 nan 8.310 nan 0.000 0.568 36 Y N 1.720 122.028 120.300 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 55.727 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 -0.445 0.000 0.888 38 V N 4.992 124.639 119.914 -0.444 0.000 2.760 38 V HA 0.460 4.580 4.120 0.000 0.000 0.309 38 V C 0.077 175.931 176.094 -0.400 0.000 1.077 38 V CA -0.753 61.280 62.300 -0.445 0.000 0.910 38 V CB 2.411 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 0.623 4.793 4.170 0.000 0.000 0.287 39 I C -0.737 175.477 176.117 0.162 0.000 1.023 39 I CA -0.039 61.278 61.300 0.028 0.000 1.083 39 I CB 1.462 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 0.314 4.654 4.340 0.000 0.000 0.272 40 Q C -1.357 174.864 176.000 0.368 0.000 1.062 40 Q CA -0.765 55.250 55.803 0.353 0.000 0.806 40 Q CB 2.231 31.178 28.738 0.350 0.000 1.312 40 Q HN 0.737 nan 8.270 nan 0.000 0.431 41 Q N 1.913 121.865 119.800 0.253 0.000 2.337 41 Q HA 0.153 4.493 4.340 0.000 0.000 0.270 41 Q C 0.162 176.168 176.000 0.011 0.000 1.002 41 Q CA 0.161 55.899 55.803 -0.109 0.000 0.888 41 Q CB 0.973 29.566 28.738 -0.242 0.000 1.222 41 Q HN 0.647 nan 8.270 nan 0.000 0.400 42 V N 0.066 119.982 119.914 0.003 0.000 3.484 42 V HA 0.414 4.534 4.120 0.000 0.000 0.252 42 V C 0.143 176.256 176.094 0.031 0.000 1.282 42 V CA 0.514 62.852 62.300 0.063 0.000 1.104 42 V CB 0.347 32.252 31.823 0.138 0.000 0.868 42 V HN 0.841 nan 8.190 nan 0.000 0.457 43 E N -0.772 119.427 120.200 -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 -0.175 56.225 56.400 -0.000 0.000 0.820 43 E CB 2.312 32.072 29.700 0.099 0.000 1.226 43 E HN 0.188 nan 8.360 nan 0.000 0.432 44 T N 2.360 116.798 114.554 -0.194 0.000 2.933 44 T HA 0.474 4.824 4.350 0.000 0.000 0.305 44 T C -1.702 172.701 174.700 -0.494 0.000 1.092 44 T CA -0.308 61.571 62.100 -0.368 0.000 1.008 44 T CB 1.528 70.260 68.868 -0.228 0.000 1.102 44 T HN 0.418 nan 8.240 nan 0.000 0.469 45 Q N 1.894 121.198 119.800 -0.827 0.000 2.391 45 Q HA 0.470 4.810 4.340 0.000 0.000 0.279 45 Q C -1.454 174.283 176.000 -0.438 0.000 1.028 45 Q CA -0.877 54.568 55.803 -0.598 0.000 0.836 45 Q CB 2.769 31.103 28.738 -0.673 0.000 1.414 45 Q HN 0.646 nan 8.270 nan 0.000 0.397 46 T N 2.567 117.012 114.554 -0.182 0.000 2.829 46 T HA 0.776 5.126 4.350 0.000 0.000 0.280 46 T C -1.013 173.706 174.700 0.033 0.000 0.999 46 T CA -0.423 61.592 62.100 -0.141 0.000 0.983 46 T CB 0.401 69.190 68.868 -0.131 0.000 0.968 46 T HN 0.444 nan 8.240 nan 0.000 0.446 47 F N -0.143 119.724 119.950 -0.139 0.000 2.711 47 F HA 0.739 5.266 4.527 0.000 0.000 0.313 47 F C -1.413 174.372 175.800 -0.025 0.000 1.141 47 F CA -1.402 56.580 58.000 -0.030 0.000 0.941 47 F CB 1.129 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 1.829 122.341 120.400 0.187 0.000 2.329 48 D HA 0.431 5.071 4.640 0.000 0.000 0.232 48 D C -2.107 174.348 176.300 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 0.106 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 0.889 178.320 177.300 0.219 0.000 1.145 49 P CA 1.017 64.268 63.100 0.251 0.000 0.795 49 P CB 0.285 31.991 31.700 0.011 0.000 0.775 50 A N -0.628 122.306 122.820 0.189 0.000 2.015 50 A HA -0.181 4.139 4.320 0.000 0.000 0.219 50 A C 2.066 179.723 177.584 0.123 0.000 1.163 50 A CA 1.590 53.719 52.037 0.153 0.000 0.646 50 A CB -0.929 18.152 19.000 0.134 0.000 0.806 50 A HN 0.153 nan 8.150 nan 0.000 0.448 51 N N -0.358 118.423 118.700 0.136 0.000 2.305 51 N HA 0.038 4.778 4.740 0.000 0.000 0.179 51 N C 0.592 176.139 175.510 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 -1.389 119.172 120.500 0.102 0.000 2.664 52 R HA 0.442 4.782 4.340 0.000 0.000 0.266 52 R C -0.540 175.769 176.300 0.016 0.000 1.046 52 R CA -0.514 55.561 56.100 -0.042 0.000 0.885 52 R CB 0.906 31.063 30.300 -0.238 0.000 1.254 52 R HN -0.038 nan 8.270 nan 0.000 0.465 53 S N -0.470 115.191 115.700 -0.065 0.000 2.744 53 S HA 0.188 4.658 4.470 0.000 0.000 0.265 53 S C -0.122 174.555 174.600 0.129 0.000 1.065 53 S CA -0.167 58.112 58.200 0.131 0.000 1.191 53 S CB 0.786 64.113 63.200 0.211 0.000 1.150 53 S HN 0.242 nan 8.310 nan 0.000 0.646 54 V N 2.953 122.756 119.914 -0.185 0.000 2.398 54 V HA 0.665 4.785 4.120 0.000 0.000 0.286 54 V C -1.208 174.603 176.094 -0.471 0.000 1.026 54 V CA -0.433 61.768 62.300 -0.165 0.000 0.868 54 V CB 0.840 32.569 31.823 -0.156 0.000 0.982 54 V HN 0.401 nan 8.190 nan 0.000 0.443 55 F N 1.617 121.495 119.950 -0.119 0.000 2.576 55 F HA 0.540 5.067 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 -0.859 57.071 58.000 -0.116 0.000 0.921 55 F CB 2.087 41.030 39.000 -0.096 0.000 1.232 55 F HN 0.392 nan 8.300 nan 0.000 0.459 56 D N 2.390 122.819 120.400 0.049 0.000 2.471 56 D HA 0.388 5.028 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 2.581 43.347 40.800 -0.057 0.000 1.123 56 D HN 0.107 nan 8.370 nan 0.000 0.540 57 V N 2.172 122.068 119.914 -0.031 0.000 2.481 57 V HA 0.259 4.379 4.120 0.000 0.000 0.286 57 V C 0.596 176.662 176.094 -0.046 0.000 1.042 57 V CA -0.254 62.037 62.300 -0.015 0.000 0.928 57 V CB 1.754 33.541 31.823 -0.059 0.000 0.986 57 V HN 0.465 nan 8.190 nan 0.000 0.462 58 T N 7.251 121.801 114.554 -0.007 0.000 2.853 58 T HA 0.373 4.723 4.350 0.000 0.000 0.317 58 T C -2.142 172.573 174.700 0.025 0.000 1.059 58 T CA -0.770 61.324 62.100 -0.009 0.000 0.954 58 T CB 1.058 69.923 68.868 -0.004 0.000 0.994 58 T HN 0.568 nan 8.240 nan 0.000 0.479 59 P HA 0.468 nan 4.420 nan 0.000 0.277 59 P C -0.574 176.781 177.300 0.091 0.000 1.271 59 P CA -0.656 62.527 63.100 0.139 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 0.223 4.543 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 -0.443 51.587 52.037 -0.010 0.000 0.794 60 A CB -0.457 18.510 19.000 -0.056 0.000 1.029 60 A HN 0.490 nan 8.150 nan 0.000 0.488 61 N N 1.426 120.088 118.700 -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 -0.239 0.000 2.419 62 V HA 0.612 4.732 4.120 0.000 0.000 0.287 62 V C 0.891 176.852 176.094 -0.220 0.000 1.017 62 V CA -0.543 61.590 62.300 -0.278 0.000 0.844 62 V CB 0.905 32.448 31.823 -0.468 0.000 1.011 62 V HN 0.740 nan 8.190 nan 0.000 0.429 63 G N 5.495 114.254 108.800 -0.069 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 -0.200 174.711 174.900 0.019 0.000 1.225 63 G CA 0.181 45.291 45.100 0.017 0.000 0.966 63 G HN 0.746 nan 8.290 nan 0.000 0.560 64 I N 0.933 121.552 120.570 0.081 0.000 2.304 64 I HA 0.391 4.561 4.170 0.000 0.000 0.291 64 I C 0.464 176.632 176.117 0.085 0.000 1.018 64 I CA -0.722 60.617 61.300 0.064 0.000 1.260 64 I CB 1.522 39.562 38.000 0.066 0.000 1.390 64 I HN 0.334 nan 8.210 nan 0.000 0.475 65 V N 7.759 127.688 119.914 0.026 0.000 2.461 65 V HA 0.171 4.291 4.120 0.000 0.000 0.275 65 V C 0.950 176.997 176.094 -0.078 0.000 1.047 65 V CA -0.285 61.994 62.300 -0.034 0.000 0.955 65 V CB 1.115 32.874 31.823 -0.106 0.000 0.988 65 V HN 0.753 nan 8.190 nan 0.000 0.471 66 K N 2.980 123.338 120.400 -0.069 0.000 2.276 66 K HA 0.449 4.769 4.320 0.000 0.000 0.198 66 K C 0.821 177.352 176.600 -0.114 0.000 1.052 66 K CA 0.721 57.007 56.287 -0.001 0.000 0.984 66 K CB 0.722 33.301 32.500 0.132 0.000 0.836 66 K HN 0.904 nan 8.250 nan 0.000 0.490 67 G N 0.191 108.709 108.800 -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 -1.982 172.068 174.900 -1.416 0.000 1.300 67 G CA -1.010 43.466 45.100 -1.041 0.000 0.843 67 G HN -0.007 nan 8.290 nan 0.000 0.527 68 F N -0.477 118.869 119.950 -1.008 0.000 2.547 68 F HA 0.664 5.191 4.527 0.000 0.000 0.316 68 F C -0.237 175.435 175.800 -0.213 0.000 1.121 68 F CA -0.822 56.937 58.000 -0.400 0.000 0.911 68 F CB 2.344 41.210 39.000 -0.223 0.000 1.179 68 F HN 0.420 nan 8.300 nan 0.000 0.443 69 L N 4.451 125.939 121.223 0.442 0.000 2.272 69 L HA 0.718 5.058 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 1.128 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 0.398 4.518 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 4.297 124.795 120.400 0.163 0.000 2.201 71 K HA 0.694 5.014 4.320 0.000 0.000 0.278 71 K C -1.338 175.241 176.600 -0.035 0.000 1.027 71 K CA -0.367 55.746 56.287 -0.291 0.000 0.909 71 K CB 1.537 33.901 32.500 -0.227 0.000 1.062 71 K HN 0.502 nan 8.250 nan 0.000 0.465 72 V N 3.503 123.374 119.914 -0.072 0.000 2.531 72 V HA 0.360 4.480 4.120 0.000 0.000 0.301 72 V C -0.300 175.804 176.094 0.018 0.000 1.034 72 V CA -0.843 61.517 62.300 0.100 0.000 0.865 72 V CB 1.617 33.623 31.823 0.305 0.000 0.995 72 V HN 1.013 nan 8.190 nan 0.000 0.424 73 T N 1.265 115.820 114.554 0.002 0.000 2.924 73 T HA 0.972 5.322 4.350 0.000 0.000 0.291 73 T C -0.487 174.216 174.700 0.005 0.000 1.045 73 T CA -0.464 61.641 62.100 0.008 0.000 1.015 73 T CB 2.345 71.209 68.868 -0.008 0.000 1.103 73 T HN 1.439 nan 8.240 nan 0.000 0.496 74 A N 0.481 123.341 122.820 0.067 0.000 2.612 74 A HA 0.910 5.230 4.320 0.000 0.000 0.293 74 A C -1.084 176.584 177.584 0.140 0.000 1.075 74 A CA -0.753 51.356 52.037 0.119 0.000 0.680 74 A CB 1.168 20.354 19.000 0.309 0.000 1.279 74 A HN 1.731 nan 8.150 nan 0.000 0.411 75 A N 1.077 123.986 122.820 0.150 0.000 2.330 75 A HA 0.776 5.096 4.320 0.000 0.000 0.313 75 A C -0.920 176.731 177.584 0.111 0.000 1.124 75 A CA -0.272 51.822 52.037 0.094 0.000 0.774 75 A CB 0.423 19.450 19.000 0.045 0.000 1.198 75 A HN 0.771 nan 8.150 nan 0.000 0.465 76 I N 1.966 122.547 120.570 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 2.583 40.487 38.000 -0.158 0.000 1.266 76 I HN 0.561 nan 8.210 nan 0.000 0.434 77 T N 4.172 118.615 114.554 -0.185 0.000 2.797 77 T HA 0.243 4.593 4.350 0.000 0.000 0.279 77 T C -0.177 174.363 174.700 -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 0.381 175.806 175.510 -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 1.434 120.056 118.700 -0.130 0.000 2.461 79 N HA -0.084 4.656 4.740 0.000 0.000 0.188 79 N C -0.157 175.320 175.510 -0.056 0.000 1.134 79 N CA 0.075 53.074 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 0.453 119.456 119.070 -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 0.320 56.318 56.048 -0.084 0.000 1.426 80 H CB 1.034 30.746 29.762 -0.084 0.000 1.410 80 H HN 0.103 nan 8.280 nan 0.000 0.597 81 A N 2.734 125.370 122.820 -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 2.103 54.065 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 -4.858 109.842 114.554 0.243 0.000 3.010 82 T HA 0.196 4.546 4.350 0.000 0.000 0.253 82 T C 0.271 175.052 174.700 0.135 0.000 0.939 82 T CA -0.230 61.978 62.100 0.179 0.000 0.910 82 T CB 0.129 69.076 68.868 0.130 0.000 1.226 82 T HN 0.214 nan 8.240 nan 0.000 0.508 83 E N 1.673 121.950 120.200 0.129 0.000 2.242 83 E HA 0.733 5.083 4.350 0.000 0.000 0.275 83 E C -0.284 176.229 176.600 -0.144 0.000 1.002 83 E CA -0.479 55.827 56.400 -0.156 0.000 0.841 83 E CB 1.985 31.421 29.700 -0.440 0.000 1.109 83 E HN 0.523 nan 8.360 nan 0.000 0.394 84 A N 1.676 124.434 122.820 -0.104 0.000 2.239 84 A HA 0.676 4.996 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 -4.003 115.877 119.914 -0.056 0.000 3.078 85 V HA 0.942 5.062 4.120 0.000 0.000 0.311 85 V C -0.233 175.945 176.094 0.141 0.000 1.138 85 V CA -0.326 61.990 62.300 0.026 0.000 1.007 85 V CB 1.119 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 2.619 125.579 122.820 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 1.482 20.544 19.000 0.102 0.000 1.296 86 A HN 1.087 nan 8.150 nan 0.000 0.423 87 L N 1.826 123.065 121.223 0.027 0.000 2.514 87 L HA 0.166 4.506 4.340 0.000 0.000 0.280 87 L C 1.498 178.270 176.870 -0.163 0.000 1.223 87 L CA 0.072 54.719 54.840 -0.322 0.000 0.864 87 L CB 0.549 42.456 42.059 -0.254 0.000 1.118 87 L HN 1.001 nan 8.230 nan 0.000 0.494 88 T N -1.995 112.436 114.554 -0.204 0.000 2.770 88 T HA 0.083 4.433 4.350 0.000 0.000 0.281 88 T C 0.747 175.369 174.700 -0.131 0.000 0.981 88 T CA -0.769 61.230 62.100 -0.167 0.000 0.955 88 T CB 0.761 69.496 68.868 -0.220 0.000 1.060 88 T HN 0.505 nan 8.240 nan 0.000 0.531 89 D N -0.242 120.054 120.400 -0.173 0.000 2.178 89 D HA -0.010 4.630 4.640 0.000 0.000 0.201 89 D C 1.539 177.996 176.300 0.261 0.000 0.980 89 D CA 1.050 55.042 54.000 -0.014 0.000 0.842 89 D CB -0.225 40.518 40.800 -0.095 0.000 0.948 89 D HN 0.469 nan 8.370 nan 0.000 0.472 90 F N 0.182 120.074 119.950 -0.097 0.000 2.473 90 F HA 0.242 4.769 4.527 0.000 0.000 0.294 90 F C 2.193 177.948 175.800 -0.075 0.000 1.103 90 F CA 0.452 58.431 58.000 -0.035 0.000 1.442 90 F CB -0.960 37.995 39.000 -0.075 0.000 1.097 90 F HN -0.021 nan 8.300 nan 0.000 0.547 91 G N 2.656 111.486 108.800 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 -1.116 173.761 174.900 -0.037 0.000 1.286 91 G CA 0.561 45.606 45.100 -0.091 0.000 1.004 91 G HN 0.210 nan 8.290 nan 0.000 0.548 92 P HA 0.025 nan 4.420 nan 0.000 0.225 92 P C 1.628 178.932 177.300 0.008 0.000 1.148 92 P CA 2.368 65.475 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 0.048 122.831 122.820 -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 0.205 0.000 1.154 93 A CA 1.007 52.998 52.037 -0.078 0.000 0.701 93 A CB -1.004 17.827 19.000 -0.282 0.000 0.789 93 A HN 0.124 nan 8.150 nan 0.000 0.465 94 N N -0.324 118.500 118.700 0.207 0.000 2.314 94 N HA 0.176 4.916 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 0.043 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 0.829 55.867 54.840 0.331 0.000 0.763 95 L CB 0.171 42.446 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 -0.525 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 3.551 123.267 119.800 -0.140 0.000 2.089 97 Q HA 0.194 4.534 4.340 0.000 0.000 0.195 97 Q C 0.490 176.391 176.000 -0.164 0.000 0.963 97 Q CA 1.087 56.850 55.803 -0.068 0.000 0.834 97 Q CB 0.383 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 -0.120 120.237 120.500 -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 2.548 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 -0.199 119.529 119.914 -0.311 0.000 2.569 99 V HA 0.668 4.788 4.120 0.000 0.000 0.301 99 V C -0.479 175.473 176.094 -0.236 0.000 1.044 99 V CA -0.781 61.326 62.300 -0.322 0.000 0.874 99 V CB 1.727 33.319 31.823 -0.385 0.000 1.002 99 V HN 0.654 nan 8.190 nan 0.000 0.424 100 I N 5.010 125.460 120.570 -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 2.529 40.454 38.000 -0.124 0.000 1.241 100 I HN 0.818 nan 8.210 nan 0.000 0.421 101 Y N 6.113 126.190 120.300 -0.371 0.000 2.409 101 Y HA 0.614 5.164 4.550 0.000 0.000 0.343 101 Y C -1.757 173.872 175.900 -0.451 0.000 0.973 101 Y CA -0.768 57.137 58.100 -0.325 0.000 1.064 101 Y CB 1.494 39.790 38.460 -0.273 0.000 1.207 101 Y HN 0.368 nan 8.280 nan 0.000 0.452 102 Y N 4.178 123.896 120.300 -0.969 0.000 2.391 102 Y HA 0.298 4.848 4.550 0.000 0.000 0.341 102 Y C -0.276 175.024 175.900 -1.001 0.000 0.965 102 Y CA -1.126 56.587 58.100 -0.644 0.000 1.067 102 Y CB 1.317 39.574 38.460 -0.339 0.000 1.199 102 Y HN 0.718 nan 8.280 nan 0.000 0.450 103 D N 2.516 122.718 120.400 -0.330 0.000 2.433 103 D HA 0.240 4.880 4.640 0.000 0.000 0.255 103 D C -2.219 174.060 176.300 -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 41.233 40.800 0.168 0.000 1.091 103 D HN 0.159 nan 8.370 nan 0.000 0.527 104 P HA -0.085 nan 4.420 nan 0.000 0.219 104 P C 0.127 177.436 177.300 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 0.021 4.661 4.640 0.000 0.000 0.226 105 D C 0.264 176.593 176.300 0.050 0.000 1.066 105 D CA 0.193 54.220 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 0.907 119.638 118.700 0.051 0.000 2.776 106 N HA -0.170 4.570 4.740 0.000 0.000 0.250 106 N C -0.494 175.131 175.510 0.191 0.000 1.112 106 N CA 0.574 53.667 53.050 0.072 0.000 0.733 106 N CB -0.985 37.496 38.487 -0.010 0.000 1.097 106 N HN 0.374 nan 8.380 nan 0.000 0.558 107 Q N 0.580 120.493 119.800 0.189 0.000 2.256 107 Q HA 0.236 4.576 4.340 0.000 0.000 0.254 107 Q C 0.677 176.801 176.000 0.206 0.000 0.916 107 Q CA -0.246 55.666 55.803 0.181 0.000 0.932 107 Q CB 1.801 30.615 28.738 0.127 0.000 1.207 107 Q HN 0.222 nan 8.270 nan 0.000 0.426 108 R N 2.491 123.036 120.500 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 0.197 56.166 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 -0.473 55.527 56.048 -0.080 0.000 0.838 109 H CB 0.140 29.941 29.762 0.066 0.000 1.471 109 H HN 0.443 nan 8.280 nan 0.000 0.374 110 T N 1.783 116.314 114.554 -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 -0.166 0.000 1.145 110 T CB 0.239 68.970 68.868 -0.229 0.000 0.963 110 T HN 0.370 nan 8.240 nan 0.000 0.545 111 E N 2.407 122.527 120.200 -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 -0.340 55.989 56.400 -0.119 0.000 0.772 111 E CB 1.095 30.745 29.700 -0.083 0.000 1.513 111 E HN 0.660 nan 8.360 nan 0.000 0.384 112 T N 0.621 115.090 114.554 -0.142 0.000 2.671 112 T HA 0.433 4.783 4.350 0.000 0.000 0.300 112 T C -0.848 173.695 174.700 -0.263 0.000 1.238 112 T CA -0.301 61.708 62.100 -0.151 0.000 1.020 112 T CB 1.565 70.405 68.868 -0.048 0.000 1.503 112 T HN 0.189 nan 8.240 nan 0.000 0.497 113 S N 0.063 115.521 115.700 -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 -0.106 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 1.556 110.129 108.800 -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 1.357 176.218 174.900 -0.065 0.000 1.158 114 G CA 0.749 45.684 45.100 -0.274 0.000 0.771 114 G HN 0.897 nan 8.290 nan 0.000 0.545 115 W N 0.225 121.468 121.300 -0.095 0.000 2.363 115 W HA -0.060 4.600 4.660 0.000 0.000 0.296 115 W C 1.803 178.001 176.519 -0.535 0.000 1.212 115 W CA 0.879 57.968 57.345 -0.428 0.000 1.260 115 W CB -1.099 28.060 29.460 -0.501 0.000 1.131 115 W HN 0.425 nan 8.180 nan 0.000 0.530 116 H N 1.189 119.842 119.070 -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 1.797 57.587 56.048 -0.430 0.000 1.334 116 H CB -0.106 29.214 29.762 -0.737 0.000 1.385 116 H HN 0.105 nan 8.280 nan 0.000 0.504 117 L N 1.020 121.997 121.223 -0.411 0.000 2.012 117 L HA -0.212 4.128 4.340 0.000 0.000 0.210 117 L C 2.556 179.322 176.870 -0.173 0.000 1.073 117 L CA 2.450 57.090 54.840 -0.335 0.000 0.748 117 L CB -1.156 40.770 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 2.206 58.174 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 -0.274 119.585 119.950 -0.151 0.000 2.216 119 F HA -0.100 4.427 4.527 0.000 0.000 0.300 119 F C 2.640 178.388 175.800 -0.087 0.000 1.085 119 F CA 0.837 58.796 58.000 -0.069 0.000 1.326 119 F CB -0.942 38.055 39.000 -0.006 0.000 1.027 119 F HN 0.101 nan 8.300 nan 0.000 0.497 120 V N 0.050 119.967 119.914 0.004 0.000 2.453 120 V HA -0.264 3.856 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 1.774 64.056 62.300 -0.030 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 1.773 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 0.587 115.032 114.554 -0.182 0.000 2.708 122 T HA -0.098 4.252 4.350 0.000 0.000 0.266 122 T C 2.064 176.732 174.700 -0.053 0.000 1.037 122 T CA 1.211 63.281 62.100 -0.051 0.000 1.146 122 T CB -0.332 68.483 68.868 -0.089 0.000 0.865 122 T HN 0.329 nan 8.240 nan 0.000 0.435 123 A N 1.617 124.417 122.820 -0.034 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 1.673 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 -0.971 119.428 120.400 -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 1.130 57.410 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 -0.064 119.740 119.800 0.008 0.000 2.212 125 Q HA -0.061 4.279 4.340 0.000 0.000 0.199 125 Q C 0.755 176.746 176.000 -0.015 0.000 0.950 125 Q CA 1.206 57.021 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 -0.503 108.280 108.800 -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 -0.062 174.798 174.900 -0.067 0.000 0.984 126 G CA 0.173 45.248 45.100 -0.042 0.000 0.660 126 G HN 0.834 nan 8.290 nan 0.000 0.525 127 A N -1.347 121.430 122.820 -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 -0.682 51.304 52.037 -0.085 0.000 0.661 127 A CB 0.609 19.570 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 -0.358 177.005 177.300 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 5.809 125.756 119.950 -0.006 0.000 2.580 129 F HA -0.061 4.466 4.527 0.000 0.000 0.398 129 F C 1.147 176.965 175.800 0.031 0.000 1.023 129 F CA 0.345 58.353 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 3.542 124.431 121.223 -0.557 0.000 3.839 130 L HA -0.321 4.019 4.340 0.000 0.000 0.416 130 L C 0.616 177.342 176.870 -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 -1.869 113.753 115.700 -0.130 0.000 2.632 131 S HA 0.540 5.010 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 58.105 58.200 -0.065 0.000 0.998 131 S CB 2.201 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 1.565 117.236 115.700 -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 -0.031 63.156 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 -1.102 175.179 176.300 -0.031 0.000 1.225 133 M CA -0.322 54.953 55.300 -0.042 0.000 1.137 133 M CB 0.631 33.195 32.600 -0.059 0.000 1.576 133 M HN 0.408 nan 8.290 nan 0.000 0.461 134 V N 5.141 125.043 119.914 -0.021 0.000 2.498 134 V HA 0.443 4.563 4.120 0.000 0.000 0.279 134 V C 0.506 176.590 176.094 -0.016 0.000 1.048 134 V CA -0.128 62.166 62.300 -0.010 0.000 0.967 134 V CB 0.926 32.747 31.823 -0.003 0.000 0.988 134 V HN 1.027 nan 8.190 nan 0.000 0.473 135 T N -0.045 114.504 114.554 -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 0.620 nan 8.240 nan 0.000 0.520 136 D N -0.127 120.275 120.400 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 -0.346 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 1.742 117.467 115.700 0.042 0.000 2.525 137 S HA 0.103 4.573 4.470 0.000 0.000 0.285 137 S C -1.056 173.597 174.600 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 0.081 nan 4.420 nan 0.000 0.227 138 P C 0.129 177.446 177.300 0.029 0.000 1.161 138 P CA 0.308 63.431 63.100 0.039 0.000 0.788 138 P CB -0.028 31.687 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 -0.020 4.150 4.170 0.000 0.000 0.284 139 I C 1.353 177.417 176.117 -0.089 0.000 1.153 139 I CA 0.275 61.547 61.300 -0.046 0.000 1.426 139 I CB 0.225 38.193 38.000 -0.053 0.000 1.381 139 I HN -0.275 nan 8.210 nan 0.000 0.571 140 K N 6.448 126.741 120.400 -0.179 0.000 3.233 140 K HA 0.078 4.398 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 -0.534 31.910 32.500 -0.093 0.000 1.431 140 K HN 0.363 nan 8.250 nan 0.000 0.326 141 Y N 0.443 120.733 120.300 -0.018 0.000 2.281 141 Y HA 0.328 4.878 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 0.589 58.675 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 0.432 nan 8.280 nan 0.000 0.575 142 G N 0.097 108.991 108.800 0.158 0.000 2.302 142 G HA2 -0.039 3.921 3.960 0.000 0.000 0.264 142 G HA3 -0.039 3.921 3.960 0.000 0.000 0.264 142 G C -1.735 173.190 174.900 0.041 0.000 1.335 142 G CA -0.816 44.330 45.100 0.075 0.000 0.982 142 G HN 0.531 nan 8.290 nan 0.000 0.473 143 D N 0.612 121.027 120.400 0.024 0.000 2.517 143 D HA 0.453 5.093 4.640 0.000 0.000 0.220 143 D C 1.387 177.695 176.300 0.013 0.000 1.158 143 D CA 0.076 54.085 54.000 0.014 0.000 0.992 143 D CB 0.711 41.519 40.800 0.014 0.000 1.058 143 D HN 0.242 nan 8.370 nan 0.000 0.516 144 V N 2.827 122.747 119.914 0.011 0.000 2.575 144 V HA -0.026 4.094 4.120 0.000 0.000 0.242 144 V C 1.862 177.960 176.094 0.006 0.000 1.045 144 V CA 0.780 63.083 62.300 0.005 0.000 1.065 144 V CB -0.114 31.709 31.823 -0.001 0.000 0.717 144 V HN 0.552 nan 8.190 nan 0.000 0.467 145 M N -0.479 119.123 119.600 0.004 0.000 2.371 145 M HA 0.295 4.775 4.480 0.000 0.000 0.246 145 M C 0.362 176.677 176.300 0.024 0.000 1.103 145 M CA 0.070 55.376 55.300 0.009 0.000 1.010 145 M CB -0.579 32.018 32.600 -0.005 0.000 1.457 145 M HN 0.374 nan 8.290 nan 0.000 0.486 146 N N 1.198 119.912 118.700 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 0.273 53.346 53.050 0.039 0.000 0.759 146 N CB -1.216 37.299 38.487 0.046 0.000 0.906 146 N HN 0.152 nan 8.380 nan 0.000 0.541 147 V N -0.240 119.697 119.914 0.037 0.000 2.287 147 V HA -0.113 4.007 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 1.568 63.905 62.300 0.062 0.000 1.027 147 V CB 0.011 31.753 31.823 -0.134 0.000 0.646 147 V HN 0.410 nan 8.190 nan 0.000 0.447 148 I N 1.617 122.239 120.570 0.087 0.000 2.410 148 I HA 0.417 4.587 4.170 0.000 0.000 0.286 148 I C -1.351 174.803 176.117 0.062 0.000 1.009 148 I CA -0.444 60.916 61.300 0.099 0.000 1.111 148 I CB 1.659 39.701 38.000 0.069 0.000 1.262 148 I HN 0.375 nan 8.210 nan 0.000 0.443 149 D N 6.023 126.463 120.400 0.067 0.000 2.623 149 D HA 0.778 5.418 4.640 0.000 0.000 0.241 149 D C -1.478 174.865 176.300 0.071 0.000 1.241 149 D CA -0.710 53.326 54.000 0.060 0.000 0.788 149 D CB 2.444 43.280 40.800 0.061 0.000 1.413 149 D HN 0.561 nan 8.370 nan 0.000 0.429 150 A N 0.903 123.769 122.820 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 -1.127 50.981 52.037 0.117 0.000 0.748 150 A CB 1.294 20.346 19.000 0.087 0.000 1.288 150 A HN 0.417 nan 8.150 nan 0.000 0.396 151 P HA 0.353 nan 4.420 nan 0.000 0.268 151 P C 1.052 178.480 177.300 0.213 0.000 1.204 151 P CA 0.502 63.698 63.100 0.159 0.000 0.768 151 P CB 1.120 32.898 31.700 0.129 0.000 0.842 152 A N 2.919 125.822 122.820 0.137 0.000 1.972 152 A HA -0.008 4.312 4.320 0.000 0.000 0.219 152 A C 0.969 178.669 177.584 0.193 0.000 1.169 152 A CA 1.928 54.040 52.037 0.124 0.000 0.635 152 A CB -0.932 18.112 19.000 0.073 0.000 0.810 152 A HN 0.649 nan 8.150 nan 0.000 0.446 153 T N -3.663 110.998 114.554 0.178 0.000 2.883 153 T HA 0.680 5.030 4.350 0.000 0.000 0.301 153 T C -0.868 173.856 174.700 0.041 0.000 1.158 153 T CA -0.621 61.567 62.100 0.147 0.000 1.007 153 T CB 1.512 70.420 68.868 0.068 0.000 1.186 153 T HN 0.169 nan 8.240 nan 0.000 0.499 154 I N 1.694 122.213 120.570 -0.085 0.000 2.439 154 I HA 0.578 4.748 4.170 0.000 0.000 0.283 154 I C 0.647 176.685 176.117 -0.132 0.000 1.023 154 I CA -1.143 60.048 61.300 -0.181 0.000 1.100 154 I CB 1.491 39.245 38.000 -0.411 0.000 1.238 154 I HN 1.032 nan 8.210 nan 0.000 0.445 155 A N 4.662 127.432 122.820 -0.083 0.000 2.327 155 A HA 0.706 5.026 4.320 0.000 0.000 0.255 155 A C 0.614 178.158 177.584 -0.066 0.000 1.099 155 A CA -0.251 51.751 52.037 -0.059 0.000 0.801 155 A CB 0.402 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 -0.360 122.437 122.820 -0.038 0.000 2.548 156 A HA 0.466 4.786 4.320 0.000 0.000 0.247 156 A C 1.602 179.168 177.584 -0.030 0.000 1.067 156 A CA 0.861 52.889 52.037 -0.014 0.000 0.757 156 A CB -1.085 17.933 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 0.120 4.080 3.960 0.000 0.000 0.254 157 G HA3 0.120 4.080 3.960 0.000 0.000 0.254 157 G C 0.588 175.453 174.900 -0.058 0.000 0.982 157 G CA 0.594 45.665 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 0.840 5.160 4.320 0.000 0.000 0.304 158 A C 0.282 177.808 177.584 -0.096 0.000 1.100 158 A CA 0.722 52.716 52.037 -0.072 0.000 0.839 158 A CB 1.010 19.970 19.000 -0.067 0.000 1.121 158 A HN 0.717 nan 8.150 nan 0.000 0.496 159 T N 0.513 115.021 114.554 -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 62.107 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 1.856 110.610 108.800 -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 -0.946 173.967 174.900 0.022 0.000 1.168 160 G CA -0.605 44.478 45.100 -0.029 0.000 0.936 160 G HN 0.488 nan 8.290 nan 0.000 0.479 161 E N 0.556 120.786 120.200 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 2.429 32.157 29.700 0.048 0.000 1.128 161 E HN 0.146 nan 8.360 nan 0.000 0.403 162 L N 1.285 122.578 121.223 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 -0.458 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 2.916 117.521 114.554 0.086 0.000 2.971 163 T HA 0.728 5.078 4.350 0.000 0.000 0.304 163 T C -0.975 173.763 174.700 0.062 0.000 1.038 163 T CA -0.457 61.682 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 2.862 122.464 119.600 0.003 0.000 2.569 164 M HA 0.563 5.043 4.480 0.000 0.000 0.279 164 M C -2.222 174.023 176.300 -0.091 0.000 1.253 164 M CA -0.704 54.586 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 1.174 121.431 120.300 -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 1.015 121.607 120.300 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 -1.495 56.795 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 5.201 126.602 121.300 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 1.406 30.911 29.460 0.075 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 -1.600 173.997 176.094 -0.829 0.000 1.040 168 V CA -1.586 60.434 62.300 -0.467 0.000 0.866 168 V CB 0.922 32.591 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 -0.287 62.620 63.100 -0.322 0.000 0.800 169 P CB 2.459 34.274 31.700 0.191 0.000 0.961 170 L N 1.536 122.687 121.223 -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 0.140 54.933 54.840 -0.077 0.000 0.850 170 L CB -0.807 41.088 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 -0.005 4.315 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 -0.016 52.158 52.037 0.228 0.000 0.785 171 A CB -0.006 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 -0.036 4.514 4.550 0.000 0.000 0.288 172 Y C 1.233 177.118 175.900 -0.024 0.000 1.146 172 Y CA 1.736 59.688 58.100 -0.247 0.000 1.164 172 Y CB 0.011 38.332 38.460 -0.233 0.000 0.982 172 Y HN 0.875 nan 8.280 nan 0.000 0.515 173 S N -2.216 113.475 115.700 -0.016 0.000 2.757 173 S HA 0.180 4.650 4.470 0.000 0.000 0.285 173 S C 0.567 175.164 174.600 -0.005 0.000 1.196 173 S CA -0.345 57.800 58.200 -0.091 0.000 0.856 173 S CB 1.203 64.322 63.200 -0.134 0.000 1.212 173 S HN 0.240 nan 8.310 nan 0.000 0.516 174 E N 0.101 120.267 120.200 -0.056 0.000 2.274 174 E HA -0.072 4.278 4.350 0.000 0.000 0.194 174 E C 1.392 177.978 176.600 -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 -2.684 111.867 114.554 -0.005 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 61.825 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 1.242 121.685 120.400 0.072 0.000 2.460 176 D HA 0.303 4.943 4.640 0.000 0.000 0.232 176 D C 0.673 177.024 176.300 0.085 0.000 1.079 176 D CA -0.686 53.369 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 2.488 123.734 121.223 0.038 0.000 2.627 177 L HA 0.074 4.414 4.340 0.000 0.000 0.233 177 L C 0.772 177.650 176.870 0.014 0.000 1.144 177 L CA 0.189 55.053 54.840 0.039 0.000 0.892 177 L CB -0.439 41.637 42.059 0.028 0.000 1.039 177 L HN 0.254 nan 8.230 nan 0.000 0.442 178 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 1.259 175.945 174.700 -0.022 0.000 0.998 178 T CA 1.065 63.056 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 2.052 110.867 108.800 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 0.379 175.392 174.900 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 -0.462 122.426 122.820 0.114 0.000 2.429 180 A HA 0.633 4.953 4.320 0.000 0.000 0.242 180 A C 0.385 178.014 177.584 0.075 0.000 1.088 180 A CA 0.844 52.923 52.037 0.072 0.000 0.784 180 A CB 0.837 19.871 19.000 0.055 0.000 1.038 180 A HN 1.217 nan 8.150 nan 0.000 0.501 181 V N 1.794 121.730 119.914 0.036 0.000 2.487 181 V HA 0.308 4.428 4.120 0.000 0.000 0.298 181 V C -0.558 175.562 176.094 0.044 0.000 1.028 181 V CA -0.504 61.831 62.300 0.059 0.000 0.860 181 V CB 1.405 33.259 31.823 0.052 0.000 0.991 181 V HN 0.783 nan 8.190 nan 0.000 0.427 182 L N 5.456 126.705 121.223 0.044 0.000 2.283 182 L HA 0.691 5.031 4.340 0.000 0.000 0.287 182 L C 0.520 177.395 176.870 0.009 0.000 1.073 182 L CA 0.198 55.046 54.840 0.014 0.000 0.822 182 L CB 0.738 42.798 42.059 0.001 0.000 1.186 182 L HN 0.741 nan 8.230 nan 0.000 0.436 183 A N 4.259 127.074 122.820 -0.007 0.000 2.786 183 A HA 0.487 4.807 4.320 0.000 0.000 0.346 183 A C 0.060 177.617 177.584 -0.044 0.000 1.265 183 A CA -0.441 51.590 52.037 -0.011 0.000 0.858 183 A CB -0.568 18.435 19.000 0.005 0.000 1.118 183 A HN 0.832 nan 8.150 nan 0.000 0.482 184 N N 0.552 119.222 118.700 -0.051 0.000 2.166 184 N HA 0.041 4.781 4.740 0.000 0.000 0.213 184 N C -0.123 175.358 175.510 -0.049 0.000 1.222 184 N CA 0.009 53.018 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 0.288 nan 8.380 nan 0.000 0.515 185 V N 2.703 122.597 119.914 -0.033 0.000 2.370 185 V HA 0.278 4.398 4.120 0.000 0.000 0.257 185 V C -1.499 174.583 176.094 -0.019 0.000 1.064 185 V CA -1.540 60.746 62.300 -0.023 0.000 0.975 185 V CB 1.014 32.828 31.823 -0.015 0.000 1.067 185 V HN -0.025 nan 8.190 nan 0.000 0.485 186 P HA -0.136 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 65.105 63.100 -0.015 0.000 0.800 186 P CB 0.170 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 1.388 177.377 176.000 -0.018 0.000 0.988 187 Q CA 1.830 57.625 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 0.700 116.389 115.700 -0.018 0.000 2.499 188 S HA 0.578 5.048 4.470 0.000 0.000 0.279 188 S C -0.483 174.103 174.600 -0.024 0.000 1.219 188 S CA -1.024 57.162 58.200 -0.024 0.000 1.062 188 S CB 1.370 64.557 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 0.423 176.994 176.600 -0.048 0.000 0.988 189 K CA -0.474 55.794 56.287 -0.031 0.000 0.915 189 K CB 0.712 33.192 32.500 -0.034 0.000 1.043 189 K HN 0.747 nan 8.250 nan 0.000 0.457 190 Q N 0.765 120.545 119.800 -0.034 0.000 2.316 190 Q HA 0.392 4.732 4.340 0.000 0.000 0.215 190 Q C -0.242 175.679 176.000 -0.132 0.000 1.020 190 Q CA -0.455 55.292 55.803 -0.093 0.000 0.970 190 Q CB 0.941 29.711 28.738 0.054 0.000 1.187 190 Q HN 0.364 nan 8.270 nan 0.000 0.546 191 R N 0.521 120.871 120.500 -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 0.994 31.224 30.300 -0.117 0.000 1.205 191 R HN 0.507 nan 8.270 nan 0.000 0.436 192 L N 4.161 125.268 121.223 -0.193 0.000 2.318 192 L HA 0.495 4.835 4.340 0.000 0.000 0.277 192 L C -1.022 175.734 176.870 -0.190 0.000 1.008 192 L CA -0.190 54.510 54.840 -0.233 0.000 0.846 192 L CB 1.241 43.014 42.059 -0.476 0.000 1.220 192 L HN 0.588 nan 8.230 nan 0.000 0.423 193 K N 5.448 125.760 120.400 -0.146 0.000 2.183 193 K HA 0.632 4.952 4.320 0.000 0.000 0.274 193 K C -1.539 174.922 176.600 -0.232 0.000 1.009 193 K CA -0.515 55.689 56.287 -0.138 0.000 0.888 193 K CB 0.776 33.238 32.500 -0.062 0.000 1.078 193 K HN 0.697 nan 8.250 nan 0.000 0.459 194 L N 4.191 125.251 121.223 -0.272 0.000 2.349 194 L HA 0.375 4.715 4.340 0.000 0.000 0.278 194 L C -0.614 176.007 176.870 -0.416 0.000 0.996 194 L CA -0.618 53.927 54.840 -0.492 0.000 0.825 194 L CB 1.947 43.552 42.059 -0.756 0.000 1.243 194 L HN 0.622 nan 8.230 nan 0.000 0.412 195 E N 3.619 123.568 120.200 -0.419 0.000 2.073 195 E HA 0.377 4.727 4.350 0.000 0.000 0.269 195 E C -1.042 175.392 176.600 -0.276 0.000 0.917 195 E CA -0.452 55.816 56.400 -0.221 0.000 0.757 195 E CB 1.300 30.916 29.700 -0.140 0.000 1.111 195 E HN 0.260 nan 8.360 nan 0.000 0.410 196 F N 1.317 121.272 119.950 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 -0.644 57.384 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 0.380 nan 8.300 nan 0.000 0.544 197 A N 1.544 124.522 122.820 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 -0.157 51.986 52.037 0.176 0.000 0.790 197 A CB -0.085 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 -0.990 117.821 118.700 0.185 0.000 3.316 198 N HA 0.220 4.960 4.740 0.000 0.000 0.300 198 N C -0.209 175.533 175.510 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 -0.566 118.384 118.700 0.418 0.000 2.573 199 N HA -0.019 4.721 4.740 0.000 0.000 0.187 199 N C -0.076 175.620 175.510 0.311 0.000 1.107 199 N CA 0.619 53.944 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 -0.893 117.929 118.700 0.204 0.000 2.356 200 N HA -0.021 4.719 4.740 0.000 0.000 0.178 200 N C 1.455 177.026 175.510 0.103 0.000 1.075 200 N CA 0.724 53.864 53.050 0.149 0.000 0.889 200 N CB 0.425 38.985 38.487 0.122 0.000 0.999 200 N HN 0.242 nan 8.380 nan 0.000 0.464 201 T N -3.095 111.503 114.554 0.074 0.000 3.000 201 T HA 0.319 4.669 4.350 0.000 0.000 0.248 201 T C 1.826 176.493 174.700 -0.054 0.000 1.034 201 T CA 0.110 62.234 62.100 0.041 0.000 1.060 201 T CB 0.115 69.027 68.868 0.073 0.000 0.983 201 T HN 0.036 nan 8.240 nan 0.000 0.482 202 A N 0.777 123.453 122.820 -0.240 0.000 2.067 202 A HA 0.435 4.755 4.320 0.000 0.000 0.217 202 A C 0.098 177.243 177.584 -0.731 0.000 1.156 202 A CA 0.213 51.894 52.037 -0.595 0.000 0.683 202 A CB -0.527 17.888 19.000 -0.974 0.000 0.808 202 A HN 0.525 nan 8.150 nan 0.000 0.455 203 F N -0.558 119.450 119.950 0.098 0.000 2.460 203 F HA 0.663 5.190 4.527 0.000 0.000 0.341 203 F C 0.243 176.076 175.800 0.056 0.000 1.130 203 F CA -1.526 56.514 58.000 0.068 0.000 0.962 203 F CB 1.278 40.297 39.000 0.032 0.000 1.171 203 F HN 0.077 nan 8.300 nan 0.000 0.436 204 A N 2.100 125.036 122.820 0.193 0.000 2.304 204 A HA 0.870 5.190 4.320 0.000 0.000 0.323 204 A C -0.047 177.595 177.584 0.095 0.000 1.195 204 A CA -0.518 51.586 52.037 0.112 0.000 0.826 204 A CB 0.591 19.625 19.000 0.057 0.000 1.184 204 A HN 0.937 nan 8.150 nan 0.000 0.496 205 A N 1.740 124.604 122.820 0.073 0.000 2.346 205 A HA 0.524 4.844 4.320 0.000 0.000 0.252 205 A C 0.433 178.033 177.584 0.028 0.000 1.089 205 A CA -0.303 51.761 52.037 0.045 0.000 0.797 205 A CB -0.026 18.999 19.000 0.041 0.000 1.047 205 A HN 1.195 nan 8.150 nan 0.000 0.494 206 V N 1.170 121.090 119.914 0.011 0.000 2.694 206 V HA 0.354 4.474 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 1.871 64.174 62.300 0.004 0.000 1.161 206 V CB 0.004 31.823 31.823 -0.007 0.000 0.916 206 V HN 1.973 nan 8.190 nan 0.000 0.490 207 G N 3.230 112.033 108.800 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 0.328 45.429 45.100 0.002 0.000 0.625 207 G HN 1.516 nan 8.290 nan 0.000 0.532 208 A N -0.219 122.611 122.820 0.017 0.000 2.271 208 A HA 0.658 4.978 4.320 0.000 0.000 0.288 208 A C 0.508 178.108 177.584 0.026 0.000 1.094 208 A CA 0.137 52.187 52.037 0.023 0.000 0.828 208 A CB 0.382 19.403 19.000 0.034 0.000 1.091 208 A HN 0.537 nan 8.150 nan 0.000 0.493 209 N N 1.028 119.747 118.700 0.032 0.000 2.452 209 N HA 0.145 4.885 4.740 0.000 0.000 0.266 209 N C -1.712 173.818 175.510 0.034 0.000 1.175 209 N CA -1.490 51.594 53.050 0.055 0.000 0.945 209 N CB 1.016 39.538 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 1.578 178.705 177.300 -0.287 0.000 1.248 210 P CA -0.092 62.937 63.100 -0.119 0.000 0.807 210 P CB 0.490 32.098 31.700 -0.154 0.000 1.150 211 L N 1.637 122.696 121.223 -0.272 0.000 2.030 211 L HA -0.208 4.132 4.340 0.000 0.000 0.222 211 L C 1.827 178.505 176.870 -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 -0.230 119.935 120.200 -0.059 0.000 2.474 212 E HA 0.273 4.623 4.350 0.000 0.000 0.195 212 E C 0.726 177.355 176.600 0.047 0.000 1.039 212 E CA 0.552 57.003 56.400 0.086 0.000 0.881 212 E CB 0.006 29.788 29.700 0.137 0.000 0.970 212 E HN 0.579 nan 8.360 nan 0.000 0.486 213 A N 0.901 123.700 122.820 -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 -1.542 118.987 120.570 -0.068 0.000 3.039 214 I HA 0.117 4.287 4.170 0.000 0.000 0.270 214 I C -0.378 175.552 176.117 -0.311 0.000 1.150 214 I CA 0.659 61.884 61.300 -0.126 0.000 1.448 214 I CB 0.002 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 1.367 121.292 119.800 0.207 0.000 2.345 216 Q HA 0.760 5.100 4.340 0.000 0.000 0.275 216 Q C -0.983 175.072 176.000 0.091 0.000 1.063 216 Q CA -0.616 55.260 55.803 0.121 0.000 0.819 216 Q CB 2.637 31.402 28.738 0.045 0.000 1.356 216 Q HN 0.972 nan 8.270 nan 0.000 0.418 217 G N 0.413 109.243 108.800 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 -0.338 174.531 174.900 -0.051 0.000 1.344 217 G CA -0.132 44.969 45.100 0.001 0.000 0.851 217 G HN 0.706 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 0.354 4.674 4.320 0.000 0.000 0.219 218 A C 2.194 179.561 177.584 -0.362 0.000 1.156 218 A CA 2.591 54.522 52.037 -0.177 0.000 0.671 218 A CB -0.397 18.501 19.000 -0.169 0.000 0.794 218 A HN 1.959 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 0.337 4.297 3.960 0.000 0.000 0.225 219 G HA3 0.337 4.297 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 0.831 45.667 45.100 -0.440 0.000 0.763 219 G HN 0.591 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 0.803 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 1.357 178.950 177.584 0.015 0.000 1.164 221 A CA 1.879 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 -1.440 118.960 120.400 -0.001 0.000 2.363 222 D HA 0.185 4.825 4.640 0.000 0.000 0.214 222 D C -0.143 176.039 176.300 -0.197 0.000 1.093 222 D CA -0.121 53.848 54.000 -0.052 0.000 0.837 222 D CB -0.214 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 1.756 120.816 119.300 -0.400 0.000 2.539 223 C HA 0.560 5.020 4.460 0.000 0.000 0.392 223 C C 0.572 175.089 174.990 -0.788 0.000 1.269 223 C CA -0.563 57.971 59.018 -0.807 0.000 2.250 223 C CB 0.188 26.998 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 4.837 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 1.739 121.820 119.950 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 -0.157 57.930 58.000 0.145 0.000 1.196 225 F CB 1.185 40.256 39.000 0.118 0.000 1.144 225 F HN 0.535 nan 8.300 nan 0.000 0.541 226 E N 1.373 121.691 120.200 0.196 0.000 2.140 226 E HA -0.007 4.343 4.350 0.000 0.000 0.191 226 E C 0.032 176.667 176.600 0.057 0.000 0.973 226 E CA 0.778 57.232 56.400 0.090 0.000 0.829 226 E CB 0.041 29.766 29.700 0.042 0.000 0.781 226 E HN 0.744 nan 8.360 nan 0.000 0.466 227 E N -1.027 119.201 120.200 0.047 0.000 2.398 227 E HA 0.478 4.828 4.350 0.000 0.000 0.280 227 E C -1.113 175.326 176.600 -0.268 0.000 1.122 227 E CA -0.473 55.839 56.400 -0.146 0.000 0.873 227 E CB 0.558 30.172 29.700 -0.143 0.000 1.294 227 E HN -0.081 nan 8.360 nan 0.000 0.435 228 I N 0.579 120.735 120.570 -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 39.517 38.000 -1.251 0.000 1.238 228 I HN 0.552 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 -1.581 172.938 174.600 -0.134 0.000 1.109 229 S CA -0.433 57.592 58.200 -0.292 0.000 0.905 229 S CB 1.454 64.531 63.200 -0.206 0.000 1.081 229 S HN 0.482 nan 8.310 nan 0.000 0.477 230 Y N -0.102 120.103 120.300 -0.157 0.000 2.553 230 Y HA 0.833 5.383 4.550 0.000 0.000 0.347 230 Y C -0.892 174.975 175.900 -0.053 0.000 1.019 230 Y CA -0.845 57.218 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 2.873 117.540 114.554 0.188 0.000 2.928 231 T HA 0.501 4.851 4.350 0.000 0.000 0.296 231 T C -1.460 173.336 174.700 0.159 0.000 1.000 231 T CA -0.652 61.477 62.100 0.047 0.000 0.989 231 T CB 1.434 70.269 68.868 -0.055 0.000 1.005 231 T HN 0.624 nan 8.240 nan 0.000 0.442 232 V N 4.278 124.266 119.914 0.125 0.000 2.370 232 V HA 0.452 4.572 4.120 0.000 0.000 0.279 232 V C -1.051 175.083 176.094 0.067 0.000 1.029 232 V CA -0.720 61.688 62.300 0.179 0.000 0.870 232 V CB 0.557 32.489 31.823 0.182 0.000 0.984 232 V HN 0.797 nan 8.190 nan 0.000 0.451 233 Y N 3.098 123.579 120.300 0.303 0.000 2.341 233 Y HA 0.500 5.050 4.550 0.000 0.000 0.337 233 Y C 0.324 176.404 175.900 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 40.296 38.460 0.269 0.000 1.194 233 Y HN 0.571 nan 8.280 nan 0.000 0.462 234 Q N 2.162 122.201 119.800 0.398 0.000 2.307 234 Q HA 0.458 4.798 4.340 0.000 0.000 0.262 234 Q C -0.924 175.205 176.000 0.215 0.000 0.961 234 Q CA -0.574 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 4.169 119.903 115.700 0.057 0.000 2.442 235 S HA 0.653 5.123 4.470 0.000 0.000 0.297 235 S C -1.388 173.284 174.600 0.120 0.000 1.131 235 S CA -0.344 57.929 58.200 0.121 0.000 1.092 235 S CB 0.283 63.666 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 1.391 43.497 42.059 0.079 0.000 1.227 237 L HN 0.814 nan 8.230 nan 0.000 0.417 238 D N 2.222 122.753 120.400 0.218 0.000 2.506 238 D HA 0.188 4.828 4.640 0.000 0.000 0.254 238 D C -0.421 176.000 176.300 0.202 0.000 1.089 238 D CA -0.604 53.560 54.000 0.273 0.000 1.050 238 D CB 1.126 42.128 40.800 0.337 0.000 1.221 238 D HN 0.504 nan 8.370 nan 0.000 0.589 239 Q N -0.364 119.551 119.800 0.192 0.000 2.453 239 Q HA -0.161 4.179 4.340 0.000 0.000 0.330 239 Q C -0.459 175.641 176.000 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 0.129 0.000 1.154 239 Q HN 0.415 nan 8.270 nan 0.000 0.395 240 L N 1.829 123.189 121.223 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 -1.463 53.523 54.840 0.244 0.000 0.855 240 L CB -0.294 41.982 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 -0.749 176.489 177.300 -0.102 0.000 1.216 241 P CA -0.167 62.933 63.100 0.001 0.000 0.776 241 P CB 1.315 33.030 31.700 0.024 0.000 0.881 242 V N 0.289 120.083 119.914 -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 1.580 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 0.568 109.302 108.800 -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 -0.097 4.243 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 2.583 58.378 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 -0.532 118.169 118.700 0.002 0.000 2.313 245 N HA 0.486 5.226 4.740 0.000 0.000 0.207 245 N C 1.285 176.814 175.510 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 1.440 nan 8.380 nan 0.000 0.481 246 G N -0.559 108.246 108.800 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 44.779 45.100 0.019 0.000 0.954 246 G HN 0.541 nan 8.290 nan 0.000 0.580 247 Y N 0.828 121.138 120.300 0.018 0.000 2.526 247 Y HA 0.440 4.990 4.550 0.000 0.000 0.330 247 Y C 1.524 177.435 175.900 0.018 0.000 1.156 247 Y CA 0.275 58.387 58.100 0.020 0.000 1.419 247 Y CB 0.378 38.852 38.460 0.024 0.000 1.250 247 Y HN 0.417 nan 8.280 nan 0.000 0.540 248 I N 6.088 126.733 120.570 0.124 0.000 2.379 248 I HA 0.170 4.340 4.170 0.000 0.000 0.290 248 I C -0.577 175.602 176.117 0.104 0.000 1.063 248 I CA 0.221 61.571 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 8.634 129.906 121.223 0.082 0.000 2.455 249 L HA 0.453 4.793 4.340 0.000 0.000 0.264 249 L C -2.484 174.409 176.870 0.039 0.000 0.968 249 L CA -1.849 53.032 54.840 0.067 0.000 0.827 249 L CB 2.558 44.659 42.059 0.070 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 0.639 177.942 177.300 0.005 0.000 1.380 250 P CA -0.179 62.927 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 2.889 124.115 121.223 0.005 0.000 2.131 251 L HA -0.135 4.205 4.340 0.000 0.000 0.210 251 L C 2.383 179.248 176.870 -0.009 0.000 1.092 251 L CA 1.232 56.075 54.840 0.004 0.000 0.759 251 L CB -0.547 41.516 42.059 0.008 0.000 0.903 251 L HN 0.279 nan 8.230 nan 0.000 0.435 252 I N -0.347 120.207 120.570 -0.025 0.000 2.286 252 I HA -0.215 3.955 4.170 0.000 0.000 0.245 252 I C 2.055 178.130 176.117 -0.069 0.000 1.104 252 I CA 0.944 62.216 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 1.284 121.643 120.400 -0.068 0.000 2.116 253 D HA -0.163 4.477 4.640 0.000 0.000 0.193 253 D C 2.160 178.440 176.300 -0.034 0.000 0.998 253 D CA 1.439 55.393 54.000 -0.077 0.000 0.836 253 D CB -0.315 40.458 40.800 -0.046 0.000 0.951 253 D HN 0.273 nan 8.370 nan 0.000 0.449 254 L N -0.067 121.154 121.223 -0.003 0.000 2.552 254 L HA 0.034 4.374 4.340 0.000 0.000 0.227 254 L C 1.403 178.295 176.870 0.036 0.000 1.146 254 L CA 0.476 55.333 54.840 0.029 0.000 0.858 254 L CB 0.103 42.180 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 0.520 175.116 174.600 -0.006 0.000 0.994 255 S CA -0.155 58.052 58.200 0.011 0.000 0.956 255 S CB 0.473 63.675 63.200 0.004 0.000 0.870 255 S HN 0.210 nan 8.310 nan 0.000 0.494 256 T N 2.518 117.057 114.554 -0.024 0.000 2.855 256 T HA 0.547 4.897 4.350 0.000 0.000 0.281 256 T C -0.483 174.209 174.700 -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 -0.171 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 -1.053 53.751 54.840 -0.060 0.000 0.804 257 L CB 0.649 42.563 42.059 -0.241 0.000 1.195 257 L HN 0.627 nan 8.230 nan 0.000 0.428 258 Y N 4.455 124.797 120.300 0.069 0.000 2.402 258 Y HA 0.471 5.021 4.550 0.000 0.000 0.332 258 Y C -0.860 174.985 175.900 -0.093 0.000 0.960 258 Y CA -1.231 56.965 58.100 0.161 0.000 1.228 258 Y CB 0.591 39.277 38.460 0.377 0.000 1.120 258 Y HN 0.522 nan 8.280 nan 0.000 0.491 259 N N 5.076 123.344 118.700 -0.720 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 -0.627 51.919 53.050 -0.839 0.000 0.772 259 N CB 2.303 40.267 38.487 -0.872 0.000 1.434 259 N HN 0.478 nan 8.380 nan 0.000 0.481 260 L N 0.850 121.781 121.223 -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 43.226 42.059 -0.244 0.000 1.272 260 L HN 0.457 nan 8.230 nan 0.000 0.421 261 E N 2.071 122.413 120.200 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 2.854 32.762 29.700 0.347 0.000 1.251 261 E HN 0.641 nan 8.360 nan 0.000 0.450 262 N N -0.014 118.720 118.700 0.056 0.000 2.405 262 N HA 0.539 5.279 4.740 0.000 0.000 0.285 262 N C -1.128 174.420 175.510 0.064 0.000 1.262 262 N CA -0.578 52.432 53.050 -0.066 0.000 0.773 262 N CB 1.987 40.319 38.487 -0.259 0.000 1.490 262 N HN 0.485 nan 8.380 nan 0.000 0.486 263 S N -1.379 114.367 115.700 0.077 0.000 2.688 263 S HA 0.893 5.363 4.470 0.000 0.000 0.275 263 S C -1.554 173.121 174.600 0.125 0.000 1.175 263 S CA -0.876 57.397 58.200 0.122 0.000 0.818 263 S CB 1.269 64.572 63.200 0.172 0.000 1.157 263 S HN 1.099 nan 8.310 nan 0.000 0.482 264 A N 1.032 123.929 122.820 0.128 0.000 2.422 264 A HA 0.822 5.142 4.320 0.000 0.000 0.302 264 A C -1.354 176.312 177.584 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 0.694 120.595 119.800 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 55.365 55.803 0.235 0.000 0.810 265 Q CB 1.986 30.916 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 0.356 178.059 177.584 0.198 0.000 1.176 266 A CA -0.299 51.793 52.037 0.091 0.000 0.757 266 A CB 1.398 20.429 19.000 0.051 0.000 1.337 266 A HN 1.482 nan 8.150 nan 0.000 0.423 267 G N -1.093 107.729 108.800 0.035 0.000 2.151 267 G HA2 0.019 3.979 3.960 0.000 0.000 0.156 267 G HA3 0.019 3.979 3.960 0.000 0.000 0.156 267 G C -0.445 174.499 174.900 0.074 0.000 1.017 267 G CA -0.037 45.146 45.100 0.138 0.000 0.686 267 G HN 0.753 nan 8.290 nan 0.000 0.503 268 L N 1.177 122.236 121.223 -0.273 0.000 2.395 268 L HA 0.749 5.089 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 0.162 54.807 54.840 -0.324 0.000 0.812 268 L CB 1.571 43.283 42.059 -0.578 0.000 1.125 268 L HN 0.172 nan 8.230 nan 0.000 0.452 269 T N 1.701 116.217 114.554 -0.062 0.000 2.952 269 T HA 0.375 4.725 4.350 0.000 0.000 0.305 269 T C -2.678 171.995 174.700 -0.046 0.000 1.064 269 T CA -1.377 60.703 62.100 -0.034 0.000 1.008 269 T CB 1.888 70.753 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 0.388 177.660 177.300 -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 -0.880 117.777 118.700 -0.071 0.000 2.778 271 N HA -0.142 4.598 4.740 0.000 0.000 0.249 271 N C -0.578 174.894 175.510 -0.064 0.000 1.069 271 N CA 0.748 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 1.071 120.945 119.914 -0.067 0.000 2.513 272 V HA 0.233 4.353 4.120 0.000 0.000 0.299 272 V C 0.147 176.210 176.094 -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 3.316 123.695 120.400 -0.036 0.000 2.434 273 D HA 0.122 4.762 4.640 0.000 0.000 0.252 273 D C -0.549 175.760 176.300 0.015 0.000 1.185 273 D CA 0.472 54.448 54.000 -0.040 0.000 0.886 273 D CB 0.441 41.240 40.800 -0.001 0.000 1.148 273 D HN 0.352 nan 8.370 nan 0.000 0.483 274 F N 3.602 123.458 119.950 -0.156 0.000 2.385 274 F HA 0.324 4.851 4.527 0.000 0.000 0.360 274 F C -0.694 175.048 175.800 -0.096 0.000 1.122 274 F CA -0.752 57.172 58.000 -0.128 0.000 1.090 274 F CB 0.780 39.675 39.000 -0.174 0.000 1.150 274 F HN 0.001 nan 8.300 nan 0.000 0.472 275 V N 6.876 126.504 119.914 -0.475 0.000 2.417 275 V HA 0.430 4.550 4.120 0.000 0.000 0.291 275 V C -0.617 175.229 176.094 -0.413 0.000 1.024 275 V CA -0.909 61.198 62.300 -0.322 0.000 0.861 275 V CB 1.445 33.154 31.823 -0.190 0.000 0.985 275 V HN 0.497 nan 8.190 nan 0.000 0.436 276 V N 5.035 124.813 119.914 -0.227 0.000 2.334 276 V HA 0.339 4.459 4.120 0.000 0.000 0.281 276 V C 0.054 176.025 176.094 -0.205 0.000 1.016 276 V CA -0.725 61.451 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 3.029 122.716 119.800 -0.188 0.000 2.364 277 Q HA 0.275 4.615 4.340 0.000 0.000 0.267 277 Q C -0.821 175.024 176.000 -0.258 0.000 0.999 277 Q CA 0.125 55.836 55.803 -0.152 0.000 0.886 277 Q CB 0.973 29.652 28.738 -0.099 0.000 1.243 277 Q HN 0.630 nan 8.270 nan 0.000 0.415 278 Y N 0.067 120.254 120.300 -0.189 0.000 2.304 278 Y HA 0.356 4.906 4.550 0.000 0.000 0.328 278 Y C 0.730 176.521 175.900 -0.182 0.000 1.123 278 Y CA -0.386 57.487 58.100 -0.378 0.000 1.218 278 Y CB 1.028 39.200 38.460 -0.481 0.000 1.207 278 Y HN 0.648 nan 8.280 nan 0.000 0.495 279 A N 3.737 126.567 122.820 0.016 0.000 2.313 279 A HA 0.258 4.578 4.320 0.000 0.000 0.261 279 A C 0.141 177.704 177.584 -0.035 0.000 1.090 279 A CA -0.807 51.180 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 -0.338 118.277 118.700 -0.142 0.000 2.408 280 N HA 0.387 5.127 4.740 0.000 0.000 0.260 280 N C 0.631 176.035 175.510 -0.176 0.000 1.242 280 N CA 0.122 53.091 53.050 -0.136 0.000 0.959 280 N CB 1.060 39.459 38.487 -0.146 0.000 1.201 280 N HN 0.843 nan 8.380 nan 0.000 0.511 281 L N -3.730 117.431 121.223 -0.103 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 1.498 56.400 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 0.957 176.850 175.900 -0.013 0.000 1.178 282 Y CA -0.496 57.478 58.100 -0.211 0.000 1.331 282 Y CB 0.425 38.317 38.460 -0.946 0.000 1.253 282 Y HN 0.045 nan 8.280 nan 0.000 0.529 283 R N 2.795 123.392 120.500 0.161 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 55.775 56.100 0.168 0.000 0.907 283 R CB 0.046 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 3.336 123.751 120.300 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 57.923 58.100 0.209 0.000 1.253 284 Y CB 0.555 39.159 38.460 0.239 0.000 1.140 284 Y HN 0.483 nan 8.280 nan 0.000 0.526 285 L N 1.874 123.220 121.223 0.204 0.000 2.162 285 L HA 0.031 4.371 4.340 0.000 0.000 0.205 285 L C 0.781 177.765 176.870 0.190 0.000 1.086 285 L CA 0.640 55.539 54.840 0.098 0.000 0.778 285 L CB -0.132 41.904 42.059 -0.039 0.000 0.928 285 L HN 0.622 nan 8.230 nan 0.000 0.446 286 S N -1.965 113.912 115.700 0.295 0.000 2.570 286 S HA 0.613 5.083 4.470 0.000 0.000 0.270 286 S C -0.616 174.183 174.600 0.331 0.000 1.149 286 S CA -0.678 57.667 58.200 0.241 0.000 0.837 286 S CB 2.382 65.768 63.200 0.311 0.000 1.124 286 S HN -0.064 nan 8.310 nan 0.000 0.465 287 T N 2.444 117.103 114.554 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 -0.034 0.000 1.012 287 T CA -0.561 61.600 62.100 0.102 0.000 0.982 287 T CB 1.063 70.038 68.868 0.179 0.000 1.018 287 T HN 0.635 nan 8.240 nan 0.000 0.451 288 I N 2.520 123.004 120.570 -0.143 0.000 2.465 288 I HA 0.705 4.875 4.170 0.000 0.000 0.291 288 I C -0.272 175.699 176.117 -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 6.772 129.501 122.820 -0.151 0.000 2.335 289 A HA 0.720 5.040 4.320 0.000 0.000 0.304 289 A C -1.066 176.592 177.584 0.122 0.000 1.118 289 A CA -0.481 51.478 52.037 -0.131 0.000 0.757 289 A CB 1.367 20.193 19.000 -0.289 0.000 1.188 289 A HN 0.361 nan 8.150 nan 0.000 0.460 290 V N 3.300 123.303 119.914 0.148 0.000 2.370 290 V HA 0.323 4.443 4.120 0.000 0.000 0.283 290 V C -0.685 175.587 176.094 0.297 0.000 1.023 290 V CA -0.399 62.034 62.300 0.222 0.000 0.857 290 V CB 1.216 33.122 31.823 0.138 0.000 0.985 290 V HN 0.781 nan 8.190 nan 0.000 0.443 291 F N 5.282 125.316 119.950 0.141 0.000 2.406 291 F HA 0.373 4.900 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 -1.824 56.174 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 0.603 nan 8.300 nan 0.000 0.576 292 D N 4.220 124.597 120.400 -0.039 0.000 2.435 292 D HA -0.028 4.612 4.640 0.000 0.000 0.230 292 D C -0.112 175.852 176.300 -0.561 0.000 1.215 292 D CA 0.096 53.760 54.000 -0.561 0.000 0.947 292 D CB -0.303 40.414 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 0.406 52.936 53.050 -0.867 0.000 1.154 293 N CB -0.407 37.359 38.487 -1.202 0.000 1.444 293 N HN 0.608 nan 8.380 nan 0.000 0.529 294 G N 0.982 109.580 108.800 -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 -0.215 0.000 1.036 294 G CA 0.538 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 -2.370 106.258 108.800 -0.287 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 0.452 175.231 174.900 -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 0.194 115.641 115.700 -0.421 0.000 2.489 296 S HA 0.762 5.232 4.470 0.000 0.000 0.291 296 S C -0.802 173.399 174.600 -0.666 0.000 1.151 296 S CA -0.316 57.683 58.200 -0.336 0.000 1.082 296 S CB 0.913 63.946 63.200 -0.279 0.000 1.019 296 S HN 0.305 nan 8.310 nan 0.000 0.492 297 F N 2.919 122.761 119.950 -0.179 0.000 2.445 297 F HA 0.440 4.967 4.527 0.000 0.000 0.348 297 F C 0.463 176.200 175.800 -0.106 0.000 1.125 297 F CA -0.848 57.056 58.000 -0.160 0.000 0.983 297 F CB 1.168 40.074 39.000 -0.157 0.000 1.198 297 F HN 0.390 nan 8.300 nan 0.000 0.436 298 N N 1.428 120.120 118.700 -0.013 0.000 2.384 298 N HA 0.498 5.238 4.740 0.000 0.000 0.301 298 N C -0.456 175.117 175.510 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 0.567 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 -1.429 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 0.985 109.953 108.800 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 1.540 46.801 45.100 0.269 0.000 0.622 300 G HN 1.533 nan 8.290 nan 0.000 0.538 301 T N -0.623 113.995 114.554 0.107 0.000 2.977 301 T HA 0.050 4.400 4.350 0.000 0.000 0.271 301 T C 1.474 176.203 174.700 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 0.623 nan 8.240 nan 0.000 0.509 302 D N 0.359 120.798 120.400 0.066 0.000 2.388 302 D HA 0.253 4.893 4.640 0.000 0.000 0.221 302 D C 0.153 176.535 176.300 0.136 0.000 1.133 302 D CA -0.495 53.551 54.000 0.076 0.000 0.831 302 D CB -0.307 40.498 40.800 0.009 0.000 0.962 302 D HN 0.476 nan 8.370 nan 0.000 0.502 303 I N 0.421 121.026 120.570 0.058 0.000 2.545 303 I HA 0.218 4.388 4.170 0.000 0.000 0.292 303 I C 0.607 176.670 176.117 -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 3.805 122.403 118.700 -0.171 0.000 2.197 304 N HA 0.003 4.743 4.740 0.000 0.000 0.184 304 N C -0.577 174.932 175.510 -0.002 0.000 1.030 304 N CA 1.405 54.396 53.050 -0.098 0.000 0.851 304 N CB 0.252 38.636 38.487 -0.172 0.000 1.003 304 N HN 0.628 nan 8.380 nan 0.000 0.430 305 Y N -1.964 118.254 120.300 -0.135 0.000 2.713 305 Y HA 0.632 5.183 4.550 0.000 0.000 0.335 305 Y C -1.775 173.949 175.900 -0.294 0.000 1.222 305 Y CA -1.439 56.564 58.100 -0.161 0.000 1.061 305 Y CB 0.483 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 1.621 122.782 121.223 -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 -0.563 53.980 54.840 -0.495 0.000 0.820 306 L CB 2.222 43.485 42.059 -1.327 0.000 1.352 306 L HN 0.880 nan 8.230 nan 0.000 0.421 307 S N -0.228 115.257 115.700 -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 -0.623 57.536 58.200 -0.069 0.000 0.815 307 S CB 1.626 64.823 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 -0.022 0.000 2.337 308 Q HA 0.550 4.890 4.340 0.000 0.000 0.270 308 Q C -1.006 174.999 176.000 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 31.172 28.738 0.116 0.000 1.281 308 Q HN 0.561 nan 8.270 nan 0.000 0.446 309 R N 1.017 121.531 120.500 0.023 0.000 2.673 309 R HA 0.534 4.874 4.340 0.000 0.000 0.281 309 R C -0.999 175.302 176.300 0.002 0.000 0.991 309 R CA -0.256 55.841 56.100 -0.005 0.000 0.896 309 R CB 1.760 32.054 30.300 -0.011 0.000 1.201 309 R HN 0.746 nan 8.270 nan 0.000 0.457 310 T N 0.175 114.712 114.554 -0.029 0.000 2.944 310 T HA 0.574 4.924 4.350 0.000 0.000 0.284 310 T C 0.292 174.989 174.700 -0.005 0.000 1.010 310 T CA -0.762 61.326 62.100 -0.020 0.000 1.025 310 T CB 1.668 70.494 68.868 -0.069 0.000 1.079 310 T HN 0.645 nan 8.240 nan 0.000 0.516 311 A N 1.169 123.997 122.820 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 -2.163 16.848 19.000 0.017 0.000 1.096 311 A HN 1.887 nan 8.150 nan 0.000 0.534 312 N N 0.014 118.714 118.700 -0.001 0.000 2.779 312 N HA 0.402 5.142 4.740 0.000 0.000 0.201 312 N C 1.013 176.515 175.510 -0.013 0.000 1.349 312 N CA 0.802 53.850 53.050 -0.003 0.000 2.299 312 N CB -1.838 36.651 38.487 0.002 0.000 1.205 312 N HN 2.244 nan 8.380 nan 0.000 0.827 313 F N -0.426 119.515 119.950 -0.016 0.000 2.935 313 F HA -0.153 4.374 4.527 0.000 0.000 0.317 313 F C 0.926 176.707 175.800 -0.032 0.000 0.699 313 F CA 1.296 59.284 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 0.963 nan 8.300 nan 0.000 0.337 314 S N 1.526 117.205 115.700 -0.037 0.000 2.416 314 S HA 0.435 4.905 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 0.481 63.646 63.200 -0.059 0.000 0.967 314 S HN 0.501 nan 8.310 nan 0.000 0.495 315 D N 2.178 122.541 120.400 -0.062 0.000 2.256 315 D HA 0.179 4.819 4.640 0.000 0.000 0.250 315 D C 1.161 177.424 176.300 -0.063 0.000 1.093 315 D CA 0.008 53.972 54.000 -0.060 0.000 0.882 315 D CB 1.692 42.447 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 0.947 175.619 174.700 -0.046 0.000 1.079 316 T CA -0.190 61.871 62.100 -0.064 0.000 1.067 316 T CB 0.252 69.070 68.868 -0.082 0.000 0.948 316 T HN 0.583 nan 8.240 nan 0.000 0.496 317 R N 0.391 120.880 120.500 -0.018 0.000 2.714 317 R HA 0.312 4.652 4.340 0.000 0.000 0.214 317 R C -0.865 175.488 176.300 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 29.997 30.300 -0.049 0.000 1.517 317 R HN 0.082 nan 8.270 nan 0.000 0.748 318 K N 2.994 123.404 120.400 0.016 0.000 2.315 318 K HA 0.282 4.602 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 -0.123 56.152 56.287 -0.021 0.000 0.936 318 K CB 0.459 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 3.259 124.586 121.223 0.174 0.000 2.371 319 L HA 0.348 4.688 4.340 0.000 0.000 0.262 319 L C -0.384 176.616 176.870 0.218 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 0.331 120.832 120.400 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 -1.226 52.865 54.000 0.153 0.000 0.918 320 D CB 0.661 41.531 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 -0.994 119.534 120.400 0.212 0.000 2.097 322 K HA -0.082 4.238 4.320 0.000 0.000 0.205 322 K C 1.729 178.452 176.600 0.205 0.000 1.050 322 K CA 1.581 57.987 56.287 0.197 0.000 0.938 322 K CB -0.392 32.190 32.500 0.136 0.000 0.718 322 K HN 0.057 nan 8.250 nan 0.000 0.442 323 T N 0.446 115.119 114.554 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 0.771 62.971 62.100 0.167 0.000 1.137 323 T CB -0.197 68.749 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 -0.082 4.578 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 0.906 124.028 122.820 0.504 0.000 1.972 325 A HA -0.078 4.242 4.320 0.000 0.000 0.219 325 A C 2.189 179.898 177.584 0.209 0.000 1.169 325 A CA 2.616 54.882 52.037 0.381 0.000 0.635 325 A CB -1.232 17.964 19.000 0.326 0.000 0.810 325 A HN 0.299 nan 8.150 nan 0.000 0.446 326 A N -0.955 121.959 122.820 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 1.632 53.723 52.037 0.090 0.000 0.623 326 A CB -0.463 18.581 19.000 0.074 0.000 0.818 326 A HN 0.523 nan 8.150 nan 0.000 0.443 327 Q N -0.632 119.179 119.800 0.019 0.000 2.124 327 Q HA -0.129 4.211 4.340 0.000 0.000 0.202 327 Q C 2.148 178.167 176.000 0.032 0.000 0.977 327 Q CA 1.987 57.771 55.803 -0.032 0.000 0.850 327 Q CB -0.941 27.693 28.738 -0.173 0.000 0.901 327 Q HN 0.653 nan 8.270 nan 0.000 0.429 328 T N 0.978 115.591 114.554 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 0.738 62.967 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 0.723 121.266 120.500 0.072 0.000 2.152 329 R HA 0.027 4.367 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 0.761 56.873 56.100 0.020 0.000 0.981 329 R CB -0.070 30.246 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 1.856 178.172 176.300 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 0.433 120.962 120.500 0.049 0.000 2.146 331 R HA 0.155 4.495 4.340 0.000 0.000 0.206 331 R C 2.026 178.316 176.300 -0.017 0.000 1.049 331 R CA 0.782 56.919 56.100 0.062 0.000 1.029 331 R CB 0.044 30.457 30.300 0.189 0.000 0.949 331 R HN 0.312 nan 8.270 nan 0.000 0.471 332 I N -3.950 116.570 120.570 -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 0.087 61.285 61.300 -0.170 0.000 1.124 332 I CB 0.899 38.670 38.000 -0.381 0.000 1.129 332 I HN -0.039 nan 8.210 nan 0.000 0.428 333 A N 0.254 123.020 122.820 -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 1.668 53.663 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 -1.847 112.642 114.554 -0.108 0.000 2.654 334 T HA 0.493 4.843 4.350 0.000 0.000 0.303 334 T C -2.128 172.493 174.700 -0.131 0.000 1.656 334 T CA 0.131 62.170 62.100 -0.102 0.000 0.971 334 T CB 0.932 69.731 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 2.217 335 D HA 0.526 5.166 4.640 0.000 0.000 0.248 335 D C -0.255 175.951 176.300 -0.156 0.000 1.008 335 D CA -0.117 53.844 54.000 -0.065 0.000 0.914 335 D CB 0.745 41.557 40.800 0.021 0.000 1.182 335 D HN 0.290 nan 8.370 nan 0.000 0.451 336 F N 0.729 120.615 119.950 -0.107 0.000 2.435 336 F HA 0.221 4.748 4.527 0.000 0.000 0.316 336 F C -1.343 174.353 175.800 -0.172 0.000 1.220 336 F CA -1.334 56.524 58.000 -0.236 0.000 1.241 336 F CB -0.205 38.552 39.000 -0.406 0.000 1.234 336 F HN 0.075 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 62.897 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 1.144 121.585 120.400 0.067 0.000 2.504 338 K HA 0.117 4.437 4.320 0.000 0.000 0.278 338 K C 1.281 177.941 176.600 0.100 0.000 1.025 338 K CA 1.260 57.586 56.287 0.065 0.000 1.093 338 K CB -0.768 31.791 32.500 0.097 0.000 0.873 338 K HN 0.866 nan 8.250 nan 0.000 0.483 339 G N 1.197 110.002 108.800 0.009 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 -0.096 0.000 0.975 339 G CA 0.058 45.217 45.100 0.098 0.000 0.642 339 G HN 0.428 nan 8.290 nan 0.000 0.536 340 V N 1.008 120.703 119.914 -0.365 0.000 2.370 340 V HA 0.654 4.774 4.120 0.000 0.000 0.283 340 V C -0.324 175.411 176.094 -0.598 0.000 1.023 340 V CA -0.821 61.269 62.300 -0.349 0.000 0.857 340 V CB 0.843 32.441 31.823 -0.375 0.000 0.985 340 V HN 0.248 nan 8.190 nan 0.000 0.443 341 Y N 4.164 124.498 120.300 0.057 0.000 2.409 341 Y HA 0.621 5.171 4.550 0.000 0.000 0.343 341 Y C -0.508 175.568 175.900 0.293 0.000 0.973 341 Y CA -0.861 57.375 58.100 0.227 0.000 1.064 341 Y CB 1.783 40.298 38.460 0.092 0.000 1.207 341 Y HN 0.631 nan 8.280 nan 0.000 0.452 342 Y N 2.176 122.778 120.300 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 -1.810 56.481 58.100 0.318 0.000 1.079 342 Y CB 1.705 40.272 38.460 0.178 0.000 1.226 342 Y HN 0.804 nan 8.280 nan 0.000 0.460 343 C N 6.710 125.749 119.300 -0.435 0.000 2.432 343 C HA 0.360 4.820 4.460 0.000 0.000 0.334 343 C C -1.294 173.314 174.990 -0.635 0.000 1.155 343 C CA -0.719 58.109 59.018 -0.316 0.000 1.335 343 C CB -0.067 27.866 27.740 0.321 0.000 1.964 343 C HN 0.886 nan 8.230 nan 0.000 0.444 344 D N 4.039 124.140 120.400 -0.497 0.000 2.280 344 D HA 0.279 4.919 4.640 0.000 0.000 0.243 344 D C 0.053 176.320 176.300 -0.055 0.000 1.129 344 D CA 0.294 54.173 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 1.092 176.628 175.510 0.043 0.000 1.354 345 N CA -0.177 52.891 53.050 0.030 0.000 0.889 345 N CB 0.717 39.231 38.487 0.045 0.000 1.285 345 N HN 0.360 nan 8.380 nan 0.000 0.503 346 R N 0.468 121.002 120.500 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 30.474 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 -0.036 4.604 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 0.119 nan 8.370 nan 0.000 0.500 348 K N 0.906 121.323 120.400 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 0.042 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 -0.198 62.945 63.100 0.071 0.000 0.766 349 P CB 0.451 32.177 31.700 0.044 0.000 0.820 350 I N 3.630 124.264 120.570 0.106 0.000 2.587 350 I HA 0.003 4.173 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 0.253 61.580 61.300 0.045 0.000 1.410 350 I CB -1.189 36.586 38.000 -0.374 0.000 1.392 350 I HN 0.402 nan 8.210 nan 0.000 0.545 351 Y N 5.653 126.013 120.300 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 -1.203 56.973 58.100 0.126 0.000 1.203 351 Y CB 1.487 40.010 38.460 0.104 0.000 1.127 351 Y HN 0.706 nan 8.280 nan 0.000 0.451 352 T N 0.348 114.859 114.554 -0.072 0.000 3.139 352 T HA -0.121 4.229 4.350 0.000 0.000 0.267 352 T C 1.642 176.213 174.700 -0.214 0.000 1.164 352 T CA 1.641 63.682 62.100 -0.098 0.000 1.075 352 T CB -0.584 68.243 68.868 -0.069 0.000 0.904 352 T HN 0.529 nan 8.240 nan 0.000 0.540 353 L N -0.109 120.816 121.223 -0.497 0.000 2.249 353 L HA 0.404 4.744 4.340 0.000 0.000 0.207 353 L C 2.807 179.570 176.870 -0.178 0.000 1.090 353 L CA 1.481 56.084 54.840 -0.396 0.000 0.802 353 L CB -1.599 40.078 42.059 -0.636 0.000 0.947 353 L HN 0.479 nan 8.230 nan 0.000 0.453 354 Q N -1.704 118.060 119.800 -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 -0.083 0.000 0.850 354 Q CB 0.048 28.878 28.738 0.152 0.000 0.901 354 Q HN 0.790 nan 8.270 nan 0.000 0.429 355 Y N -2.698 117.601 120.300 -0.002 0.000 2.889 355 Y HA 0.473 5.023 4.550 0.000 0.000 0.317 355 Y C 0.760 176.643 175.900 -0.030 0.000 1.414 355 Y CA -0.801 57.293 58.100 -0.009 0.000 1.091 355 Y CB 0.363 38.823 38.460 -0.000 0.000 1.358 355 Y HN -0.002 nan 8.280 nan 0.000 0.487 356 G N -0.047 108.856 108.800 0.171 0.000 2.466 356 G HA2 -0.026 3.934 3.960 0.000 0.000 0.279 356 G HA3 -0.026 3.934 3.960 0.000 0.000 0.279 356 G C -0.371 174.561 174.900 0.053 0.000 1.410 356 G CA -0.522 44.620 45.100 0.070 0.000 1.065 356 G HN 0.681 nan 8.290 nan 0.000 0.547 357 N N -2.222 116.494 118.700 0.027 0.000 2.444 357 N HA 0.318 5.058 4.740 0.000 0.000 0.255 357 N C -0.714 174.827 175.510 0.052 0.000 1.255 357 N CA -0.437 52.629 53.050 0.027 0.000 0.933 357 N CB 0.615 39.106 38.487 0.008 0.000 1.143 357 N HN 0.136 nan 8.380 nan 0.000 0.453 358 V N -0.016 119.952 119.914 0.089 0.000 2.962 358 V HA 0.735 4.855 4.120 0.000 0.000 0.313 358 V C 0.358 176.616 176.094 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 33.603 31.823 0.054 0.000 1.028 358 V HN 0.850 nan 8.190 nan 0.000 0.430 359 G N 0.897 109.846 108.800 0.249 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 -2.025 173.032 174.900 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 1.702 121.650 119.950 -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 -0.519 57.513 58.000 0.052 0.000 1.059 360 F CB 1.770 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 -0.829 175.055 176.094 -0.351 0.000 1.038 361 V CA -0.876 61.270 62.300 -0.256 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 3.829 123.635 119.914 -0.181 0.000 2.525 362 V HA 0.470 4.590 4.120 0.000 0.000 0.299 362 V C -0.379 175.508 176.094 -0.345 0.000 1.034 362 V CA -0.628 61.486 62.300 -0.309 0.000 0.863 362 V CB 2.018 33.663 31.823 -0.298 0.000 0.999 362 V HN 0.898 nan 8.190 nan 0.000 0.423 363 N N 6.771 125.125 118.700 -0.576 0.000 2.558 363 N HA 0.372 5.112 4.740 0.000 0.000 0.242 363 N C -2.776 172.440 175.510 -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 0.126 nan 4.420 nan 0.000 0.275 364 P C 0.192 177.419 177.300 -0.122 0.000 1.228 364 P CA -0.177 62.788 63.100 -0.226 0.000 0.786 364 P CB 2.051 33.617 31.700 -0.223 0.000 0.927 365 K N 1.481 121.854 120.400 -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 0.958 57.228 56.287 -0.029 0.000 0.974 365 K CB 0.274 32.767 32.500 -0.012 0.000 0.792 365 K HN 0.430 nan 8.250 nan 0.000 0.463 366 T N 0.908 115.480 114.554 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 -0.690 61.417 62.100 0.012 0.000 0.982 366 T CB 2.359 71.216 68.868 -0.018 0.000 1.018 366 T HN -0.163 nan 8.240 nan 0.000 0.451 367 V N 4.168 124.090 119.914 0.013 0.000 2.447 367 V HA 0.413 4.533 4.120 0.000 0.000 0.292 367 V C -0.337 175.732 176.094 -0.042 0.000 1.021 367 V CA -1.116 61.198 62.300 0.023 0.000 0.850 367 V CB 1.523 33.357 31.823 0.017 0.000 1.005 367 V HN 0.769 nan 8.190 nan 0.000 0.426 368 N N 2.541 121.185 118.700 -0.094 0.000 2.408 368 N HA 0.325 5.065 4.740 0.000 0.000 0.260 368 N C 0.035 175.497 175.510 -0.081 0.000 1.242 368 N CA -0.522 52.467 53.050 -0.102 0.000 0.959 368 N CB 0.672 39.067 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 -0.197 175.767 176.000 -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 -1.205 117.469 118.700 -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 53.978 53.050 -0.039 0.000 0.711 370 N CB -1.348 37.119 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 0.145 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 0.794 121.307 120.500 0.022 0.000 2.690 372 R HA 0.613 4.953 4.340 0.000 0.000 0.269 372 R C -2.118 174.214 176.300 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 2.673 123.904 121.223 0.013 0.000 2.296 373 L HA 0.486 4.826 4.340 0.000 0.000 0.286 373 L C -0.764 176.180 176.870 0.124 0.000 1.023 373 L CA -1.048 53.833 54.840 0.069 0.000 0.812 373 L CB 1.653 43.752 42.059 0.067 0.000 1.223 373 L HN 0.465 nan 8.230 nan 0.000 0.421 374 L N 4.876 126.191 121.223 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 54.642 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 2.605 122.205 119.600 -0.000 0.000 2.336 375 M HA 0.514 4.994 4.480 0.000 0.000 0.342 375 M C 0.253 176.266 176.300 -0.478 0.000 1.128 375 M CA -0.376 54.739 55.300 -0.308 0.000 1.016 375 M CB 1.572 33.919 32.600 -0.422 0.000 1.665 375 M HN 0.584 nan 8.290 nan 0.000 0.445 376 G N 2.940 111.310 108.800 -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 44.248 45.100 -1.070 0.000 0.948 376 G HN 0.564 nan 8.290 nan 0.000 0.486 377 Y N 0.107 120.434 120.300 0.044 0.000 2.499 377 Y HA 0.572 5.122 4.550 0.000 0.000 0.347 377 Y C 0.244 176.405 175.900 0.435 0.000 0.987 377 Y CA -0.992 57.336 58.100 0.381 0.000 1.044 377 Y CB 2.713 41.521 38.460 0.581 0.000 1.245 377 Y HN 0.491 nan 8.280 nan 0.000 0.461 378 E N 2.400 122.941 120.200 0.569 0.000 2.176 378 E HA 0.462 4.812 4.350 0.000 0.000 0.267 378 E C -1.825 174.953 176.600 0.297 0.000 0.893 378 E CA -0.699 55.881 56.400 0.299 0.000 0.761 378 E CB 1.378 31.275 29.700 0.328 0.000 1.133 378 E HN 0.576 nan 8.360 nan 0.000 0.409 379 Y N 1.525 121.846 120.300 0.034 0.000 2.638 379 Y HA 0.619 5.169 4.550 0.000 0.000 0.335 379 Y C -1.928 173.945 175.900 -0.045 0.000 1.155 379 Y CA -1.454 56.564 58.100 -0.136 0.000 1.046 379 Y CB 0.720 38.944 38.460 -0.393 0.000 1.303 379 Y HN 0.196 nan 8.280 nan 0.000 0.460 380 F N 0.745 120.803 119.950 0.181 0.000 2.480 380 F HA 0.802 5.329 4.527 0.000 0.000 0.329 380 F C 0.193 176.061 175.800 0.112 0.000 1.091 380 F CA -0.902 57.152 58.000 0.090 0.000 0.972 380 F CB 2.184 41.183 39.000 -0.003 0.000 1.150 380 F HN 0.752 nan 8.300 nan 0.000 0.467 381 T N 0.873 115.584 114.554 0.261 0.000 2.885 381 T HA 0.396 4.746 4.350 0.000 0.000 0.322 381 T C -1.041 173.717 174.700 0.096 0.000 1.387 381 T CA -0.521 61.682 62.100 0.173 0.000 1.041 381 T CB 1.071 70.000 68.868 0.102 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 0.279 382 S C 1.469 176.096 174.600 0.045 0.000 1.321 382 S CA -0.454 57.778 58.200 0.053 0.000 1.054 382 S CB 0.951 64.186 63.200 0.059 0.000 0.899 382 S HN 0.714 nan 8.310 nan 0.000 0.497 383 R N 1.978 122.489 120.500 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 62.122 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