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 3aaw_1_A DATA FIRST_RESID 2 DATA SEQUENCE ALVVQKYGGS SLESAERIRN VAERIVATKK AGNDVVVVCS AMGDTTDELL DATA SEQUENCE ELAAAVNPVP PAREMDMLLT AGERISNALV AMAIESLGAE AQSFTXXXXX DATA SEQUENCE XXXXXXXXXX XXXXVTPGRV REALDEGKIC IVAGFXXVNK ETRDVTTLGR DATA SEQUENCE GGSDTTAVAL AAALNADVCE IYSDVDGVYT ADPRIVPNAQ KLEKLSFEEM DATA SEQUENCE LELAAVGSKI LVLRSVEYAR AFNVPLRVRS SYSNDPGTLI AGSMEDIPVE DATA SEQUENCE EAVLTGVATD KSEAKVTVLG ISDKPGEAAK VFRALADAEI NIDMVLQNVS DATA SEQUENCE SVEDGTTDIT FTCPRSDGRR AMEILKKLQV QGNWTNVLYD DQVGKVSLVG DATA SEQUENCE AGMKSHPGVT AEFMEALRDV NVNIELISTS EIRISVLIRE DDLDAAARAL DATA SEQUENCE HEQFQLGG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.594 177.584 0.017 0.000 1.274 2 A CA 0.000 52.046 52.037 0.016 0.000 0.836 2 A CB 0.000 19.010 19.000 0.016 0.000 0.831 3 L N 3.700 124.933 121.223 0.016 0.000 2.349 3 L HA 0.816 5.156 4.340 0.000 0.000 0.278 3 L C -1.389 175.492 176.870 0.018 0.000 0.996 3 L CA -0.487 54.363 54.840 0.016 0.000 0.825 3 L CB 1.577 43.641 42.059 0.010 0.000 1.243 3 L HN 0.447 nan 8.230 nan 0.000 0.412 4 V N 5.761 125.690 119.914 0.025 0.000 2.487 4 V HA 0.464 4.584 4.120 0.000 0.000 0.298 4 V C -0.019 176.095 176.094 0.034 0.000 1.028 4 V CA -0.742 61.577 62.300 0.031 0.000 0.860 4 V CB 2.162 34.014 31.823 0.047 0.000 0.991 4 V HN 0.502 nan 8.190 nan 0.000 0.427 5 V N 5.342 125.268 119.914 0.021 0.000 2.407 5 V HA 0.422 4.542 4.120 0.000 0.000 0.278 5 V C -0.122 175.987 176.094 0.024 0.000 1.037 5 V CA -0.429 61.883 62.300 0.020 0.000 0.900 5 V CB 1.450 33.272 31.823 -0.002 0.000 0.983 5 V HN 0.924 nan 8.190 nan 0.000 0.459 6 Q N 4.193 124.025 119.800 0.052 0.000 2.325 6 Q HA 0.452 4.792 4.340 0.000 0.000 0.270 6 Q C -0.687 175.293 176.000 -0.033 0.000 1.020 6 Q CA -0.656 55.166 55.803 0.031 0.000 0.785 6 Q CB 2.697 31.514 28.738 0.132 0.000 1.259 6 Q HN 0.504 nan 8.270 nan 0.000 0.452 7 K N 2.970 123.298 120.400 -0.119 0.000 2.206 7 K HA 0.357 4.677 4.320 0.000 0.000 0.264 7 K C -1.657 174.828 176.600 -0.193 0.000 0.967 7 K CA -0.505 55.739 56.287 -0.070 0.000 0.844 7 K CB 0.898 33.379 32.500 -0.032 0.000 1.099 7 K HN 0.558 nan 8.250 nan 0.000 0.441 8 Y N 0.817 121.176 120.300 0.099 0.000 2.331 8 Y HA 0.340 4.891 4.550 0.000 0.000 0.334 8 Y C 0.908 176.840 175.900 0.052 0.000 0.960 8 Y CA -0.539 57.607 58.100 0.077 0.000 1.130 8 Y CB 1.989 40.445 38.460 -0.008 0.000 1.164 8 Y HN 0.756 nan 8.280 nan 0.000 0.458 9 G N 0.788 109.697 108.800 0.181 0.000 2.621 9 G HA2 0.342 4.302 3.960 0.000 0.000 0.271 9 G HA3 0.342 4.302 3.960 0.000 0.000 0.271 9 G C 1.065 176.035 174.900 0.117 0.000 1.236 9 G CA -0.186 44.989 45.100 0.124 0.000 0.958 9 G HN 0.853 nan 8.290 nan 0.000 0.512 10 G N -0.336 108.518 108.800 0.091 0.000 2.418 10 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 10 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 10 G C 2.208 177.164 174.900 0.092 0.000 1.158 10 G CA 2.019 47.166 45.100 0.079 0.000 0.771 10 G HN 0.991 nan 8.290 nan 0.000 0.545 11 S N 0.715 116.484 115.700 0.115 0.000 2.370 11 S HA -0.119 4.351 4.470 0.000 0.000 0.226 11 S C 2.366 177.082 174.600 0.193 0.000 1.033 11 S CA 1.835 60.132 58.200 0.162 0.000 1.011 11 S CB -0.569 62.744 63.200 0.188 0.000 0.852 11 S HN 0.208 nan 8.310 nan 0.000 0.457 12 S N 1.495 117.268 115.700 0.121 0.000 2.474 12 S HA 0.211 4.681 4.470 0.000 0.000 0.235 12 S C 0.950 175.541 174.600 -0.016 0.000 0.997 12 S CA 0.817 59.017 58.200 -0.000 0.000 0.949 12 S CB -0.362 62.893 63.200 0.092 0.000 0.766 12 S HN 0.522 nan 8.310 nan 0.000 0.517 13 L N 0.615 121.858 121.223 0.032 0.000 3.255 13 L HA 0.343 4.684 4.340 0.000 0.000 0.293 13 L C 1.039 177.925 176.870 0.027 0.000 1.302 13 L CA -0.031 54.809 54.840 0.000 0.000 0.977 13 L CB 0.249 42.305 42.059 -0.005 0.000 1.390 13 L HN 0.067 nan 8.230 nan 0.000 0.588 14 E N 0.642 120.877 120.200 0.057 0.000 2.204 14 E HA -0.059 4.291 4.350 0.000 0.000 0.194 14 E C 0.707 177.329 176.600 0.037 0.000 0.989 14 E CA 0.852 57.286 56.400 0.057 0.000 0.824 14 E CB 0.354 30.103 29.700 0.081 0.000 0.756 14 E HN 0.538 nan 8.360 nan 0.000 0.477 15 S N -2.188 113.529 115.700 0.029 0.000 2.607 15 S HA 0.593 5.063 4.470 0.000 0.000 0.273 15 S C 0.620 175.221 174.600 0.000 0.000 1.148 15 S CA -0.448 57.762 58.200 0.017 0.000 0.833 15 S CB 1.546 64.762 63.200 0.027 0.000 1.130 15 S HN -0.029 nan 8.310 nan 0.000 0.470 16 A N 0.889 123.706 122.820 -0.004 0.000 1.908 16 A HA -0.124 4.197 4.320 0.000 0.000 0.218 16 A C 1.996 179.568 177.584 -0.019 0.000 1.181 16 A CA 2.128 54.156 52.037 -0.015 0.000 0.627 16 A CB -1.330 17.662 19.000 -0.012 0.000 0.818 16 A HN 1.020 nan 8.150 nan 0.000 0.445 17 E N -0.414 119.783 120.200 -0.006 0.000 2.077 17 E HA -0.231 4.119 4.350 0.000 0.000 0.193 17 E C 2.215 178.808 176.600 -0.011 0.000 0.989 17 E CA 1.336 57.734 56.400 -0.004 0.000 0.800 17 E CB -0.124 29.582 29.700 0.011 0.000 0.746 17 E HN 0.605 nan 8.360 nan 0.000 0.452 18 R N -0.025 120.475 120.500 -0.001 0.000 2.115 18 R HA 0.006 4.346 4.340 0.000 0.000 0.226 18 R C 2.470 178.714 176.300 -0.094 0.000 1.100 18 R CA 1.144 57.231 56.100 -0.021 0.000 0.980 18 R CB -0.145 30.174 30.300 0.032 0.000 0.875 18 R HN 0.306 nan 8.270 nan 0.000 0.445 19 I N 0.378 120.898 120.570 -0.084 0.000 2.226 19 I HA -0.284 3.886 4.170 0.000 0.000 0.245 19 I C 2.315 178.351 176.117 -0.135 0.000 1.100 19 I CA 1.377 62.602 61.300 -0.124 0.000 1.374 19 I CB -0.158 37.790 38.000 -0.086 0.000 1.057 19 I HN 0.145 nan 8.210 nan 0.000 0.413 20 R N 0.317 120.762 120.500 -0.092 0.000 2.075 20 R HA -0.170 4.170 4.340 0.000 0.000 0.232 20 R C 2.092 178.333 176.300 -0.098 0.000 1.126 20 R CA 1.771 57.821 56.100 -0.083 0.000 0.963 20 R CB -0.544 29.725 30.300 -0.052 0.000 0.858 20 R HN 0.376 nan 8.270 nan 0.000 0.435 21 N N 0.292 118.936 118.700 -0.094 0.000 2.069 21 N HA -0.165 4.576 4.740 0.000 0.000 0.191 21 N C 1.694 177.107 175.510 -0.161 0.000 1.031 21 N CA 1.322 54.313 53.050 -0.097 0.000 0.852 21 N CB 0.018 38.463 38.487 -0.070 0.000 1.018 21 N HN -0.074 nan 8.380 nan 0.000 0.423 22 V N 0.756 120.521 119.914 -0.249 0.000 2.332 22 V HA -0.257 3.863 4.120 0.000 0.000 0.248 22 V C 2.330 178.209 176.094 -0.359 0.000 1.055 22 V CA 1.943 63.989 62.300 -0.423 0.000 1.038 22 V CB -1.099 30.317 31.823 -0.678 0.000 0.651 22 V HN 0.514 nan 8.190 nan 0.000 0.450 23 A N -0.543 122.123 122.820 -0.256 0.000 1.908 23 A HA -0.274 4.046 4.320 0.000 0.000 0.218 23 A C 2.342 179.854 177.584 -0.120 0.000 1.181 23 A CA 1.978 53.910 52.037 -0.175 0.000 0.627 23 A CB -0.505 18.420 19.000 -0.125 0.000 0.818 23 A HN 0.532 nan 8.150 nan 0.000 0.445 24 E N 0.045 120.183 120.200 -0.104 0.000 2.150 24 E HA -0.190 4.160 4.350 0.000 0.000 0.193 24 E C 2.159 178.722 176.600 -0.063 0.000 0.985 24 E CA 1.083 57.443 56.400 -0.067 0.000 0.814 24 E CB -0.223 29.446 29.700 -0.053 0.000 0.752 24 E HN 0.641 nan 8.360 nan 0.000 0.466 25 R N 0.125 120.568 120.500 -0.095 0.000 2.075 25 R HA -0.034 4.306 4.340 0.000 0.000 0.232 25 R C 2.610 178.884 176.300 -0.044 0.000 1.126 25 R CA 1.226 57.281 56.100 -0.077 0.000 0.963 25 R CB -0.208 30.010 30.300 -0.135 0.000 0.858 25 R HN 0.159 nan 8.270 nan 0.000 0.435 26 I N -0.006 120.524 120.570 -0.068 0.000 2.179 26 I HA -0.281 3.889 4.170 0.000 0.000 0.242 26 I C 2.125 178.241 176.117 -0.001 0.000 1.088 26 I CA 1.134 62.427 61.300 -0.013 0.000 1.357 26 I CB -0.154 37.820 38.000 -0.042 0.000 1.051 26 I HN 0.048 nan 8.210 nan 0.000 0.409 27 V N 0.923 120.824 119.914 -0.020 0.000 2.343 27 V HA -0.283 3.837 4.120 0.000 0.000 0.247 27 V C 2.702 178.796 176.094 0.000 0.000 1.051 27 V CA 1.875 64.169 62.300 -0.010 0.000 1.036 27 V CB -1.032 30.780 31.823 -0.019 0.000 0.654 27 V HN 0.501 nan 8.190 nan 0.000 0.451 28 A N 0.051 122.870 122.820 -0.001 0.000 1.940 28 A HA -0.252 4.069 4.320 0.000 0.000 0.219 28 A C 2.391 179.987 177.584 0.020 0.000 1.176 28 A CA 2.613 54.655 52.037 0.008 0.000 0.631 28 A CB -0.963 18.041 19.000 0.007 0.000 0.814 28 A HN 0.529 nan 8.150 nan 0.000 0.446 29 T N -0.337 114.235 114.554 0.029 0.000 2.821 29 T HA -0.113 4.237 4.350 0.000 0.000 0.267 29 T C 1.995 176.716 174.700 0.035 0.000 1.046 29 T CA 1.693 63.819 62.100 0.043 0.000 1.139 29 T CB -0.150 68.758 68.868 0.066 0.000 0.871 29 T HN 0.547 nan 8.240 nan 0.000 0.454 30 K N 1.813 122.230 120.400 0.029 0.000 2.002 30 K HA -0.013 4.307 4.320 0.000 0.000 0.209 30 K C 2.118 178.729 176.600 0.019 0.000 1.048 30 K CA 1.536 57.837 56.287 0.024 0.000 0.930 30 K CB -0.280 32.231 32.500 0.019 0.000 0.714 30 K HN 0.175 nan 8.250 nan 0.000 0.438 31 K N -0.120 120.289 120.400 0.015 0.000 2.113 31 K HA -0.092 4.228 4.320 0.000 0.000 0.208 31 K C 1.850 178.459 176.600 0.014 0.000 1.047 31 K CA 1.307 57.602 56.287 0.012 0.000 0.928 31 K CB -0.287 32.219 32.500 0.009 0.000 0.716 31 K HN 0.288 nan 8.250 nan 0.000 0.446 32 A N 0.401 123.232 122.820 0.018 0.000 2.248 32 A HA 0.073 4.393 4.320 0.000 0.000 0.210 32 A C 1.212 178.807 177.584 0.018 0.000 1.174 32 A CA 1.075 53.123 52.037 0.019 0.000 0.750 32 A CB -0.491 18.523 19.000 0.024 0.000 0.780 32 A HN 0.473 nan 8.150 nan 0.000 0.478 33 G N -1.068 107.742 108.800 0.018 0.000 2.141 33 G HA2 -0.192 3.768 3.960 0.000 0.000 0.195 33 G HA3 -0.192 3.768 3.960 0.000 0.000 0.195 33 G C -0.400 174.511 174.900 0.018 0.000 1.012 33 G CA -0.040 45.070 45.100 0.016 0.000 0.696 33 G HN 0.642 nan 8.290 nan 0.000 0.508 34 N N 0.779 119.492 118.700 0.022 0.000 2.361 34 N HA 0.528 5.269 4.740 0.000 0.000 0.302 34 N C -1.094 174.431 175.510 0.024 0.000 1.074 34 N CA -0.959 52.105 53.050 0.024 0.000 0.850 34 N CB 1.278 39.784 38.487 0.031 0.000 1.228 34 N HN 0.039 nan 8.380 nan 0.000 0.491 35 D N 0.819 121.232 120.400 0.022 0.000 2.382 35 D HA 0.225 4.865 4.640 0.000 0.000 0.245 35 D C -0.527 175.790 176.300 0.028 0.000 1.120 35 D CA 0.097 54.110 54.000 0.023 0.000 0.890 35 D CB 1.156 41.965 40.800 0.016 0.000 1.201 35 D HN 0.029 nan 8.370 nan 0.000 0.433 36 V N 2.138 122.072 119.914 0.033 0.000 2.577 36 V HA 0.344 4.464 4.120 0.000 0.000 0.303 36 V C -0.061 176.061 176.094 0.046 0.000 1.042 36 V CA -0.866 61.461 62.300 0.045 0.000 0.872 36 V CB 2.126 33.982 31.823 0.055 0.000 0.998 36 V HN 0.234 nan 8.190 nan 0.000 0.423 37 V N 5.242 125.183 119.914 0.044 0.000 2.495 37 V HA 0.588 4.708 4.120 0.000 0.000 0.298 37 V C -0.313 175.823 176.094 0.070 0.000 1.031 37 V CA -0.569 61.756 62.300 0.041 0.000 0.871 37 V CB 2.074 33.899 31.823 0.003 0.000 0.988 37 V HN 0.629 nan 8.190 nan 0.000 0.432 38 V N 5.338 125.305 119.914 0.089 0.000 2.555 38 V HA 0.612 4.732 4.120 0.000 0.000 0.302 38 V C -0.394 175.769 176.094 0.116 0.000 1.038 38 V CA -0.588 61.792 62.300 0.134 0.000 0.887 38 V CB 2.072 33.986 31.823 0.152 0.000 0.991 38 V HN 0.600 nan 8.190 nan 0.000 0.434 39 V N 3.039 123.032 119.914 0.132 0.000 2.588 39 V HA 0.504 4.624 4.120 0.000 0.000 0.304 39 V C -0.475 175.707 176.094 0.147 0.000 1.042 39 V CA -0.433 61.931 62.300 0.107 0.000 0.877 39 V CB 1.930 33.795 31.823 0.069 0.000 0.996 39 V HN 0.992 nan 8.190 nan 0.000 0.425 40 C N 2.842 122.212 119.300 0.117 0.000 2.408 40 C HA 0.640 5.100 4.460 0.000 0.000 0.321 40 C C 0.897 175.939 174.990 0.086 0.000 1.245 40 C CA -0.578 58.513 59.018 0.121 0.000 1.523 40 C CB 1.355 29.144 27.740 0.081 0.000 2.178 40 C HN 0.916 nan 8.230 nan 0.000 0.488 41 S N 1.480 117.234 115.700 0.091 0.000 2.608 41 S HA 0.503 4.973 4.470 0.000 0.000 0.261 41 S C 0.555 175.188 174.600 0.055 0.000 1.314 41 S CA -0.392 57.849 58.200 0.068 0.000 0.992 41 S CB 0.502 63.744 63.200 0.070 0.000 0.935 41 S HN 1.022 nan 8.310 nan 0.000 0.564 42 A N 1.698 124.545 122.820 0.045 0.000 2.466 42 A HA 0.277 4.597 4.320 0.000 0.000 0.238 42 A C 0.427 178.034 177.584 0.039 0.000 1.074 42 A CA -0.086 51.973 52.037 0.036 0.000 0.774 42 A CB -0.293 18.727 19.000 0.032 0.000 1.015 42 A HN 0.788 nan 8.150 nan 0.000 0.498 43 M N 1.959 121.577 119.600 0.031 0.000 2.260 43 M HA 0.123 4.603 4.480 0.000 0.000 0.348 43 M C 1.327 177.649 176.300 0.037 0.000 1.342 43 M CA 0.716 56.034 55.300 0.031 0.000 1.040 43 M CB -0.192 32.421 32.600 0.021 0.000 1.810 43 M HN 0.947 nan 8.290 nan 0.000 0.453 44 G N 3.318 112.146 108.800 0.047 0.000 2.824 44 G HA2 -0.197 3.763 3.960 0.000 0.000 0.295 44 G HA3 -0.197 3.763 3.960 0.000 0.000 0.295 44 G C 0.494 175.419 174.900 0.040 0.000 0.371 44 G CA 0.243 45.373 45.100 0.051 0.000 1.167 44 G HN 1.055 nan 8.290 nan 0.000 0.196 45 D N 0.612 121.035 120.400 0.039 0.000 2.603 45 D HA -0.217 4.424 4.640 0.000 0.000 0.180 45 D C 1.797 178.114 176.300 0.028 0.000 0.972 45 D CA 1.818 55.837 54.000 0.032 0.000 1.022 45 D CB -1.230 39.587 40.800 0.029 0.000 1.079 45 D HN 0.563 nan 8.370 nan 0.000 0.455 46 T N 0.330 114.900 114.554 0.028 0.000 2.665 46 T HA -0.191 4.159 4.350 0.000 0.000 0.268 46 T C 1.917 176.632 174.700 0.024 0.000 1.035 46 T CA 2.299 64.413 62.100 0.024 0.000 1.151 46 T CB -0.338 68.544 68.868 0.024 0.000 0.862 46 T HN 0.268 nan 8.240 nan 0.000 0.438 47 T N 1.977 116.547 114.554 0.028 0.000 2.652 47 T HA -0.149 4.201 4.350 0.000 0.000 0.267 47 T C 1.757 176.473 174.700 0.025 0.000 1.039 47 T CA 1.453 63.569 62.100 0.027 0.000 1.153 47 T CB -0.532 68.355 68.868 0.031 0.000 0.863 47 T HN 0.386 nan 8.240 nan 0.000 0.428 48 D N 0.911 121.327 120.400 0.026 0.000 2.123 48 D HA -0.085 4.555 4.640 0.000 0.000 0.196 48 D C 2.211 178.523 176.300 0.021 0.000 0.992 48 D CA 1.074 55.088 54.000 0.024 0.000 0.833 48 D CB -0.228 40.587 40.800 0.025 0.000 0.954 48 D HN 0.559 nan 8.370 nan 0.000 0.455 49 E N -0.038 120.175 120.200 0.021 0.000 2.110 49 E HA -0.138 4.212 4.350 0.000 0.000 0.193 49 E C 2.016 178.627 176.600 0.017 0.000 0.988 49 E CA 0.391 56.801 56.400 0.018 0.000 0.804 49 E CB 0.068 29.778 29.700 0.017 0.000 0.745 49 E HN 0.098 nan 8.360 nan 0.000 0.458 50 L N 0.464 121.698 121.223 0.018 0.000 2.056 50 L HA -0.125 4.216 4.340 0.000 0.000 0.207 50 L C 2.169 179.049 176.870 0.018 0.000 1.078 50 L CA 1.415 56.265 54.840 0.017 0.000 0.749 50 L CB -0.653 41.417 42.059 0.018 0.000 0.901 50 L HN 0.177 nan 8.230 nan 0.000 0.433 51 L N -0.837 120.397 121.223 0.019 0.000 2.127 51 L HA -0.234 4.106 4.340 0.000 0.000 0.211 51 L C 2.497 179.378 176.870 0.018 0.000 1.089 51 L CA 1.278 56.129 54.840 0.019 0.000 0.757 51 L CB -0.346 41.726 42.059 0.021 0.000 0.899 51 L HN 0.414 nan 8.230 nan 0.000 0.434 52 E N 0.333 120.544 120.200 0.017 0.000 2.158 52 E HA -0.157 4.193 4.350 0.000 0.000 0.191 52 E C 2.382 178.991 176.600 0.014 0.000 0.982 52 E CA 0.474 56.883 56.400 0.016 0.000 0.823 52 E CB 0.128 29.838 29.700 0.016 0.000 0.766 52 E HN 0.457 nan 8.360 nan 0.000 0.468 53 L N 0.523 121.754 121.223 0.014 0.000 2.046 53 L HA -0.158 4.182 4.340 0.000 0.000 0.208 53 L C 2.642 179.519 176.870 0.013 0.000 1.077 53 L CA 1.060 55.908 54.840 0.013 0.000 0.747 53 L CB -0.446 41.621 42.059 0.012 0.000 0.896 53 L HN 0.195 nan 8.230 nan 0.000 0.432 54 A N 0.189 123.018 122.820 0.014 0.000 1.851 54 A HA -0.266 4.054 4.320 0.000 0.000 0.216 54 A C 2.522 180.114 177.584 0.013 0.000 1.195 54 A CA 2.075 54.120 52.037 0.014 0.000 0.622 54 A CB -1.004 18.006 19.000 0.015 0.000 0.831 54 A HN 0.408 nan 8.150 nan 0.000 0.444 55 A N -0.507 122.322 122.820 0.014 0.000 1.978 55 A HA 0.102 4.422 4.320 0.000 0.000 0.220 55 A C 2.443 180.035 177.584 0.012 0.000 1.170 55 A CA 2.332 54.377 52.037 0.014 0.000 0.636 55 A CB -0.911 18.098 19.000 0.015 0.000 0.810 55 A HN 1.156 nan 8.150 nan 0.000 0.448 56 A N -0.345 122.482 122.820 0.012 0.000 1.968 56 A HA 0.108 4.428 4.320 0.000 0.000 0.217 56 A C 2.182 179.772 177.584 0.010 0.000 1.169 56 A CA 1.710 53.753 52.037 0.011 0.000 0.638 56 A CB -0.843 18.164 19.000 0.010 0.000 0.812 56 A HN 1.101 nan 8.150 nan 0.000 0.446 57 V N -3.144 116.776 119.914 0.010 0.000 3.052 57 V HA 0.180 4.300 4.120 0.000 0.000 0.254 57 V C 0.408 176.508 176.094 0.009 0.000 1.100 57 V CA 1.071 63.377 62.300 0.009 0.000 1.112 57 V CB -0.518 31.311 31.823 0.009 0.000 0.738 57 V HN 0.492 nan 8.190 nan 0.000 0.469 58 N N 1.124 119.830 118.700 0.010 0.000 2.616 58 N HA 0.353 5.093 4.740 0.000 0.000 0.281 58 N C -3.405 172.112 175.510 0.011 0.000 1.145 58 N CA -1.208 51.848 53.050 0.010 0.000 0.919 58 N CB 2.538 41.031 38.487 0.010 0.000 1.509 58 N HN 0.094 nan 8.380 nan 0.000 0.537 59 P HA 0.030 nan 4.420 nan 0.000 0.269 59 P C 0.273 177.580 177.300 0.012 0.000 1.209 59 P CA 0.051 63.158 63.100 0.011 0.000 0.776 59 P CB 0.933 32.639 31.700 0.011 0.000 0.876 60 V N 2.423 122.344 119.914 0.013 0.000 6.029 60 V HA -0.159 3.962 4.120 0.000 0.000 0.242 60 V C -2.447 173.655 176.094 0.013 0.000 0.637 60 V CA -0.287 62.021 62.300 0.013 0.000 0.603 60 V CB -1.903 29.927 31.823 0.012 0.000 0.423 60 V HN 0.570 nan 8.190 nan 0.000 0.520 61 P HA 0.287 nan 4.420 nan 0.000 0.264 61 P C -2.318 174.990 177.300 0.014 0.000 1.193 61 P CA -0.539 62.569 63.100 0.014 0.000 0.763 61 P CB 0.135 31.844 31.700 0.015 0.000 0.810 62 P HA 0.090 nan 4.420 nan 0.000 0.271 62 P C 0.582 177.891 177.300 0.015 0.000 1.218 62 P CA -0.109 62.999 63.100 0.013 0.000 0.780 62 P CB 0.582 32.290 31.700 0.012 0.000 0.901 63 A N 3.232 126.061 122.820 0.016 0.000 1.940 63 A HA -0.229 4.091 4.320 0.000 0.000 0.219 63 A C 2.255 179.850 177.584 0.019 0.000 1.176 63 A CA 1.622 53.669 52.037 0.018 0.000 0.631 63 A CB -0.890 18.120 19.000 0.018 0.000 0.814 63 A HN 0.576 nan 8.150 nan 0.000 0.446 64 R N -0.358 120.152 120.500 0.018 0.000 2.080 64 R HA -0.200 4.140 4.340 0.000 0.000 0.236 64 R C 1.946 178.256 176.300 0.018 0.000 1.137 64 R CA 2.039 58.150 56.100 0.018 0.000 0.943 64 R CB -0.262 30.048 30.300 0.016 0.000 0.846 64 R HN 0.478 nan 8.270 nan 0.000 0.431 65 E N 0.003 120.212 120.200 0.016 0.000 2.204 65 E HA -0.167 4.183 4.350 0.000 0.000 0.194 65 E C 1.647 178.257 176.600 0.017 0.000 0.989 65 E CA 1.152 57.561 56.400 0.015 0.000 0.824 65 E CB -0.136 29.572 29.700 0.013 0.000 0.756 65 E HN 0.241 nan 8.360 nan 0.000 0.477 66 M N 0.794 120.405 119.600 0.018 0.000 2.117 66 M HA -0.145 4.335 4.480 0.000 0.000 0.262 66 M C 1.529 177.841 176.300 0.021 0.000 1.065 66 M CA 1.705 57.016 55.300 0.019 0.000 1.114 66 M CB -0.302 32.309 32.600 0.019 0.000 1.361 66 M HN -0.015 nan 8.290 nan 0.000 0.408 67 D N -0.560 119.853 120.400 0.023 0.000 2.117 67 D HA -0.226 4.414 4.640 0.000 0.000 0.197 67 D C 2.120 178.435 176.300 0.025 0.000 0.987 67 D CA 1.731 55.747 54.000 0.026 0.000 0.829 67 D CB -0.255 40.562 40.800 0.029 0.000 0.961 67 D HN 0.492 nan 8.370 nan 0.000 0.460 68 M N -0.517 119.097 119.600 0.022 0.000 2.082 68 M HA -0.191 4.289 4.480 0.000 0.000 0.258 68 M C 1.955 178.266 176.300 0.018 0.000 1.069 68 M CA 1.276 56.587 55.300 0.019 0.000 1.102 68 M CB -0.136 32.474 32.600 0.017 0.000 1.336 68 M HN 0.226 nan 8.290 nan 0.000 0.404 69 L N 0.671 121.905 121.223 0.018 0.000 1.994 69 L HA -0.152 4.188 4.340 0.000 0.000 0.208 69 L C 2.015 178.897 176.870 0.019 0.000 1.071 69 L CA 1.888 56.738 54.840 0.017 0.000 0.745 69 L CB -0.817 41.252 42.059 0.017 0.000 0.892 69 L HN 0.365 nan 8.230 nan 0.000 0.431 70 L N -1.202 120.035 121.223 0.022 0.000 2.141 70 L HA -0.171 4.169 4.340 0.000 0.000 0.209 70 L C 2.278 179.164 176.870 0.026 0.000 1.094 70 L CA 1.469 56.324 54.840 0.025 0.000 0.763 70 L CB -0.994 41.081 42.059 0.027 0.000 0.908 70 L HN 0.297 nan 8.230 nan 0.000 0.437 71 T N -0.054 114.516 114.554 0.026 0.000 2.821 71 T HA -0.121 4.229 4.350 0.000 0.000 0.267 71 T C 2.063 176.776 174.700 0.022 0.000 1.046 71 T CA 1.185 63.301 62.100 0.027 0.000 1.139 71 T CB -0.144 68.741 68.868 0.028 0.000 0.871 71 T HN 0.440 nan 8.240 nan 0.000 0.454 72 A N 1.563 124.394 122.820 0.018 0.000 1.877 72 A HA 0.089 4.409 4.320 0.000 0.000 0.216 72 A C 2.647 180.240 177.584 0.014 0.000 1.186 72 A CA 1.903 53.948 52.037 0.014 0.000 0.620 72 A CB -1.452 17.555 19.000 0.012 0.000 0.822 72 A HN 0.499 nan 8.150 nan 0.000 0.443 73 G N -0.432 108.378 108.800 0.017 0.000 2.476 73 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 73 G HA3 -0.262 3.698 3.960 0.000 0.000 0.218 73 G C 1.426 176.338 174.900 0.021 0.000 1.164 73 G CA 1.156 46.267 45.100 0.019 0.000 0.768 73 G HN 0.668 nan 8.290 nan 0.000 0.560 74 E N -0.307 119.908 120.200 0.025 0.000 2.106 74 E HA -0.063 4.287 4.350 0.000 0.000 0.192 74 E C 2.602 179.216 176.600 0.023 0.000 0.984 74 E CA 0.627 57.045 56.400 0.029 0.000 0.806 74 E CB -0.068 29.653 29.700 0.035 0.000 0.750 74 E HN 0.247 nan 8.360 nan 0.000 0.458 75 R N 0.763 121.274 120.500 0.018 0.000 2.120 75 R HA -0.086 4.254 4.340 0.000 0.000 0.234 75 R C 2.048 178.351 176.300 0.005 0.000 1.123 75 R CA 0.844 56.951 56.100 0.011 0.000 0.975 75 R CB -0.218 30.086 30.300 0.007 0.000 0.866 75 R HN 0.162 nan 8.270 nan 0.000 0.446 76 I N -0.410 120.164 120.570 0.006 0.000 2.091 76 I HA -0.371 3.799 4.170 0.000 0.000 0.239 76 I C 2.086 178.203 176.117 -0.001 0.000 1.061 76 I CA 1.720 63.021 61.300 0.002 0.000 1.317 76 I CB -0.341 37.662 38.000 0.005 0.000 1.031 76 I HN 0.163 nan 8.210 nan 0.000 0.401 77 S N 0.608 116.311 115.700 0.005 0.000 2.370 77 S HA -0.217 4.253 4.470 0.000 0.000 0.226 77 S C 1.688 176.285 174.600 -0.006 0.000 1.033 77 S CA 1.942 60.142 58.200 0.000 0.000 1.011 77 S CB -0.543 62.665 63.200 0.014 0.000 0.852 77 S HN 0.433 nan 8.310 nan 0.000 0.457 78 N N 1.471 120.174 118.700 0.005 0.000 2.166 78 N HA 0.033 4.773 4.740 0.000 0.000 0.186 78 N C 1.756 177.260 175.510 -0.010 0.000 1.019 78 N CA 1.133 54.186 53.050 0.004 0.000 0.856 78 N CB -0.359 38.139 38.487 0.017 0.000 0.993 78 N HN 0.417 nan 8.380 nan 0.000 0.426 79 A N 0.295 123.107 122.820 -0.014 0.000 1.873 79 A HA -0.062 4.258 4.320 0.000 0.000 0.215 79 A C 1.865 179.433 177.584 -0.027 0.000 1.186 79 A CA 0.956 52.980 52.037 -0.022 0.000 0.616 79 A CB -0.573 18.415 19.000 -0.020 0.000 0.823 79 A HN 0.108 nan 8.150 nan 0.000 0.442 80 L N -0.243 120.965 121.223 -0.026 0.000 1.994 80 L HA -0.129 4.211 4.340 0.000 0.000 0.208 80 L C 2.675 179.517 176.870 -0.047 0.000 1.071 80 L CA 1.490 56.310 54.840 -0.033 0.000 0.745 80 L CB -1.262 40.778 42.059 -0.030 0.000 0.892 80 L HN 0.214 nan 8.230 nan 0.000 0.431 81 V N -0.126 119.755 119.914 -0.055 0.000 2.332 81 V HA -0.308 3.812 4.120 0.000 0.000 0.248 81 V C 2.750 178.807 176.094 -0.062 0.000 1.055 81 V CA 1.532 63.785 62.300 -0.079 0.000 1.038 81 V CB -1.155 30.613 31.823 -0.092 0.000 0.651 81 V HN 0.502 nan 8.190 nan 0.000 0.450 82 A N -0.395 122.400 122.820 -0.041 0.000 1.865 82 A HA -0.297 4.023 4.320 0.000 0.000 0.217 82 A C 2.255 179.816 177.584 -0.038 0.000 1.191 82 A CA 2.504 54.520 52.037 -0.035 0.000 0.623 82 A CB -0.545 18.436 19.000 -0.032 0.000 0.826 82 A HN 0.494 nan 8.150 nan 0.000 0.444 83 M N -0.594 118.984 119.600 -0.038 0.000 2.082 83 M HA -0.234 4.247 4.480 0.000 0.000 0.258 83 M C 2.538 178.814 176.300 -0.039 0.000 1.069 83 M CA 1.745 57.023 55.300 -0.036 0.000 1.102 83 M CB -0.507 32.073 32.600 -0.033 0.000 1.336 83 M HN 0.510 nan 8.290 nan 0.000 0.404 84 A N 0.129 122.920 122.820 -0.048 0.000 1.898 84 A HA -0.132 4.189 4.320 0.000 0.000 0.216 84 A C 1.990 179.542 177.584 -0.053 0.000 1.181 84 A CA 1.508 53.513 52.037 -0.054 0.000 0.620 84 A CB -0.714 18.243 19.000 -0.072 0.000 0.819 84 A HN 0.366 nan 8.150 nan 0.000 0.442 85 I N -0.306 120.232 120.570 -0.054 0.000 2.226 85 I HA -0.211 3.959 4.170 0.000 0.000 0.245 85 I C 2.350 178.448 176.117 -0.033 0.000 1.100 85 I CA 1.864 63.137 61.300 -0.045 0.000 1.374 85 I CB -0.291 37.686 38.000 -0.039 0.000 1.057 85 I HN 0.398 nan 8.210 nan 0.000 0.413 86 E N 0.005 120.187 120.200 -0.031 0.000 2.153 86 E HA -0.192 4.158 4.350 0.000 0.000 0.194 86 E C 2.357 178.942 176.600 -0.024 0.000 0.988 86 E CA 1.391 57.775 56.400 -0.026 0.000 0.811 86 E CB -0.168 29.516 29.700 -0.027 0.000 0.746 86 E HN 0.538 nan 8.360 nan 0.000 0.466 87 S N -0.464 115.220 115.700 -0.027 0.000 2.428 87 S HA -0.073 4.397 4.470 0.000 0.000 0.230 87 S C 1.621 176.207 174.600 -0.023 0.000 1.014 87 S CA 0.624 58.809 58.200 -0.024 0.000 0.957 87 S CB -0.224 62.960 63.200 -0.026 0.000 0.784 87 S HN 0.306 nan 8.310 nan 0.000 0.499 88 L N 1.101 122.309 121.223 -0.025 0.000 2.629 88 L HA 0.384 4.724 4.340 0.000 0.000 0.230 88 L C 1.762 178.622 176.870 -0.018 0.000 1.151 88 L CA 0.298 55.124 54.840 -0.023 0.000 0.924 88 L CB -0.361 41.680 42.059 -0.029 0.000 1.137 88 L HN 0.613 nan 8.230 nan 0.000 0.457 89 G N -0.256 108.535 108.800 -0.016 0.000 2.175 89 G HA2 -0.257 3.703 3.960 0.000 0.000 0.244 89 G HA3 -0.257 3.703 3.960 0.000 0.000 0.244 89 G C 0.402 175.295 174.900 -0.010 0.000 0.982 89 G CA -0.052 45.041 45.100 -0.012 0.000 0.641 89 G HN 0.483 nan 8.290 nan 0.000 0.527 90 A N 0.050 122.863 122.820 -0.012 0.000 2.371 90 A HA 0.652 4.972 4.320 0.000 0.000 0.257 90 A C 0.345 177.924 177.584 -0.008 0.000 1.089 90 A CA 0.399 52.431 52.037 -0.007 0.000 0.794 90 A CB 0.508 19.503 19.000 -0.007 0.000 1.029 90 A HN 0.527 nan 8.150 nan 0.000 0.488 91 E N 0.952 121.150 120.200 -0.003 0.000 2.130 91 E HA 0.489 4.839 4.350 0.000 0.000 0.284 91 E C -0.125 176.473 176.600 -0.002 0.000 1.018 91 E CA -0.366 56.030 56.400 -0.005 0.000 0.817 91 E CB 0.772 30.471 29.700 -0.002 0.000 1.078 91 E HN 0.762 nan 8.360 nan 0.000 0.396 92 A N 4.264 127.076 122.820 -0.013 0.000 2.303 92 A HA 0.440 4.760 4.320 0.000 0.000 0.317 92 A C -0.686 176.880 177.584 -0.031 0.000 1.149 92 A CA -0.583 51.447 52.037 -0.012 0.000 0.822 92 A CB 1.408 20.395 19.000 -0.021 0.000 1.131 92 A HN 0.555 nan 8.150 nan 0.000 0.493 93 Q N 0.925 120.713 119.800 -0.021 0.000 2.275 93 Q HA 0.517 4.857 4.340 0.000 0.000 0.266 93 Q C -1.235 174.670 176.000 -0.158 0.000 1.002 93 Q CA -0.037 55.694 55.803 -0.119 0.000 0.761 93 Q CB 1.711 30.412 28.738 -0.061 0.000 1.255 93 Q HN 0.627 nan 8.270 nan 0.000 0.446 94 S N 3.603 119.130 115.700 -0.287 0.000 2.541 94 S HA 0.729 5.199 4.470 0.000 0.000 0.283 94 S C -1.014 173.313 174.600 -0.456 0.000 1.196 94 S CA -0.260 57.819 58.200 -0.201 0.000 1.062 94 S CB 0.372 63.499 63.200 -0.121 0.000 1.009 94 S HN 0.491 nan 8.310 nan 0.000 0.502 95 F N 0.635 120.548 119.950 -0.061 0.000 2.540 95 F HA 0.461 4.988 4.527 0.000 0.000 0.317 95 F C 0.760 176.504 175.800 -0.094 0.000 1.104 95 F CA -0.643 57.304 58.000 -0.087 0.000 0.913 95 F CB 2.057 40.983 39.000 -0.123 0.000 1.170 95 F HN 0.440 nan 8.300 nan 0.000 0.450 117 T N 2.068 116.521 114.554 -0.169 0.000 2.888 117 T HA 0.574 4.924 4.350 0.000 0.000 0.284 117 T C -1.625 172.978 174.700 -0.162 0.000 1.017 117 T CA -0.917 61.118 62.100 -0.108 0.000 1.022 117 T CB 2.181 71.034 68.868 -0.025 0.000 1.013 117 T HN 0.349 nan 8.240 nan 0.000 0.465 118 P HA -0.115 nan 4.420 nan 0.000 0.217 118 P C 1.652 178.893 177.300 -0.097 0.000 1.151 118 P CA 1.020 64.073 63.100 -0.079 0.000 0.849 118 P CB -0.062 31.639 31.700 0.002 0.000 0.787 119 G N -0.209 108.557 108.800 -0.057 0.000 2.421 119 G HA2 -0.251 3.709 3.960 0.000 0.000 0.216 119 G HA3 -0.251 3.709 3.960 0.000 0.000 0.216 119 G C 1.630 176.501 174.900 -0.048 0.000 1.171 119 G CA 0.595 45.672 45.100 -0.038 0.000 0.775 119 G HN 0.231 nan 8.290 nan 0.000 0.543 120 R N -0.277 120.186 120.500 -0.061 0.000 2.096 120 R HA -0.012 4.328 4.340 0.000 0.000 0.235 120 R C 2.655 178.896 176.300 -0.097 0.000 1.127 120 R CA 1.099 57.197 56.100 -0.004 0.000 0.968 120 R CB -0.485 29.868 30.300 0.089 0.000 0.861 120 R HN 0.299 nan 8.270 nan 0.000 0.440 121 V N 1.019 120.687 119.914 -0.411 0.000 2.307 121 V HA -0.243 3.877 4.120 0.000 0.000 0.245 121 V C 2.372 178.370 176.094 -0.160 0.000 1.045 121 V CA 1.868 63.863 62.300 -0.509 0.000 1.024 121 V CB -0.503 30.973 31.823 -0.578 0.000 0.651 121 V HN 0.215 nan 8.190 nan 0.000 0.449 122 R N 0.973 121.406 120.500 -0.112 0.000 2.083 122 R HA -0.192 4.148 4.340 0.000 0.000 0.237 122 R C 2.087 178.383 176.300 -0.008 0.000 1.137 122 R CA 2.054 58.126 56.100 -0.045 0.000 0.951 122 R CB -0.825 29.454 30.300 -0.035 0.000 0.851 122 R HN 0.630 nan 8.270 nan 0.000 0.434 123 E N -0.390 119.813 120.200 0.006 0.000 2.049 123 E HA -0.235 4.115 4.350 0.000 0.000 0.198 123 E C 1.906 178.539 176.600 0.055 0.000 1.007 123 E CA 1.697 58.117 56.400 0.034 0.000 0.809 123 E CB -0.298 29.430 29.700 0.048 0.000 0.749 123 E HN 0.510 nan 8.360 nan 0.000 0.450 124 A N 0.994 123.873 122.820 0.098 0.000 1.930 124 A HA -0.144 4.176 4.320 0.000 0.000 0.217 124 A C 2.198 179.831 177.584 0.082 0.000 1.175 124 A CA 0.965 53.082 52.037 0.133 0.000 0.627 124 A CB -0.588 18.595 19.000 0.304 0.000 0.815 124 A HN 0.140 nan 8.150 nan 0.000 0.443 125 L N -0.391 120.864 121.223 0.053 0.000 2.046 125 L HA -0.202 4.138 4.340 0.000 0.000 0.208 125 L C 1.855 178.741 176.870 0.027 0.000 1.077 125 L CA 1.478 56.337 54.840 0.033 0.000 0.747 125 L CB -0.616 41.449 42.059 0.009 0.000 0.896 125 L HN 0.330 nan 8.230 nan 0.000 0.432 126 D N -0.038 120.377 120.400 0.024 0.000 2.264 126 D HA -0.148 4.492 4.640 0.000 0.000 0.208 126 D C 1.619 177.931 176.300 0.021 0.000 0.966 126 D CA 0.941 54.953 54.000 0.019 0.000 0.864 126 D CB -0.027 40.783 40.800 0.017 0.000 0.933 126 D HN 0.441 nan 8.370 nan 0.000 0.499 127 E N -0.338 119.878 120.200 0.027 0.000 2.494 127 E HA 0.209 4.560 4.350 0.000 0.000 0.193 127 E C 1.130 177.744 176.600 0.022 0.000 1.074 127 E CA 0.198 56.612 56.400 0.024 0.000 0.867 127 E CB 0.255 29.971 29.700 0.026 0.000 0.924 127 E HN 0.249 nan 8.360 nan 0.000 0.502 128 G N 1.988 110.803 108.800 0.024 0.000 2.179 128 G HA2 -0.317 3.643 3.960 0.000 0.000 0.260 128 G HA3 -0.317 3.643 3.960 0.000 0.000 0.260 128 G C 0.112 175.028 174.900 0.026 0.000 0.977 128 G CA 0.010 45.123 45.100 0.022 0.000 0.641 128 G HN 0.194 nan 8.290 nan 0.000 0.533 129 K N -0.049 120.373 120.400 0.037 0.000 2.270 129 K HA 0.511 4.831 4.320 0.000 0.000 0.276 129 K C 0.276 176.908 176.600 0.054 0.000 1.023 129 K CA -0.608 55.706 56.287 0.044 0.000 0.955 129 K CB 1.056 33.591 32.500 0.058 0.000 0.975 129 K HN 0.154 nan 8.250 nan 0.000 0.471 130 I N 2.788 123.386 120.570 0.046 0.000 2.452 130 I HA -0.016 4.154 4.170 0.000 0.000 0.287 130 I C -0.168 176.000 176.117 0.085 0.000 1.079 130 I CA -0.002 61.330 61.300 0.054 0.000 1.387 130 I CB 0.371 38.392 38.000 0.036 0.000 1.404 130 I HN 0.531 nan 8.210 nan 0.000 0.522 131 C N 7.633 127.001 119.300 0.112 0.000 2.307 131 C HA 0.532 4.992 4.460 0.000 0.000 0.340 131 C C 0.180 175.264 174.990 0.158 0.000 1.275 131 C CA -0.618 58.520 59.018 0.200 0.000 1.811 131 C CB -0.515 27.335 27.740 0.182 0.000 2.372 131 C HN 0.441 nan 8.230 nan 0.000 0.531 132 I N 4.215 124.894 120.570 0.181 0.000 2.328 132 I HA 0.355 4.525 4.170 0.000 0.000 0.287 132 I C -0.081 176.133 176.117 0.162 0.000 1.012 132 I CA 0.215 61.590 61.300 0.125 0.000 1.195 132 I CB 0.976 39.016 38.000 0.066 0.000 1.350 132 I HN 0.325 nan 8.210 nan 0.000 0.464 133 V N 6.086 126.067 119.914 0.111 0.000 2.384 133 V HA 0.514 4.634 4.120 0.000 0.000 0.287 133 V C 0.959 177.084 176.094 0.052 0.000 1.020 133 V CA -0.330 62.016 62.300 0.076 0.000 0.850 133 V CB 1.233 33.039 31.823 -0.029 0.000 0.987 133 V HN 0.893 nan 8.190 nan 0.000 0.436 134 A N 3.912 126.759 122.820 0.045 0.000 1.855 134 A HA 0.609 4.929 4.320 0.000 0.000 0.213 134 A C 1.105 178.720 177.584 0.051 0.000 1.195 134 A CA 1.208 53.271 52.037 0.043 0.000 0.610 134 A CB -0.206 18.814 19.000 0.033 0.000 0.837 134 A HN 1.362 nan 8.150 nan 0.000 0.444 135 G N -3.117 105.708 108.800 0.043 0.000 2.368 135 G HA2 0.450 4.410 3.960 0.000 0.000 0.293 135 G HA3 0.450 4.410 3.960 0.000 0.000 0.293 135 G C -0.880 174.073 174.900 0.088 0.000 1.467 135 G CA -0.843 44.322 45.100 0.109 0.000 0.804 135 G HN 0.070 nan 8.290 nan 0.000 0.535 140 N N 3.852 122.522 118.700 -0.050 0.000 2.462 140 N HA 0.457 5.197 4.740 0.000 0.000 0.242 140 N C -0.485 175.092 175.510 0.111 0.000 1.010 140 N CA -0.221 52.788 53.050 -0.068 0.000 0.939 140 N CB 1.940 40.280 38.487 -0.245 0.000 1.127 140 N HN 0.613 nan 8.380 nan 0.000 0.509 141 K N 1.606 122.055 120.400 0.082 0.000 2.221 141 K HA 0.223 4.543 4.320 0.000 0.000 0.258 141 K C 0.428 177.037 176.600 0.016 0.000 0.944 141 K CA -0.558 55.757 56.287 0.046 0.000 0.823 141 K CB 1.953 34.459 32.500 0.011 0.000 1.113 141 K HN 0.298 nan 8.250 nan 0.000 0.431 142 E N 0.487 120.605 120.200 -0.136 0.000 2.046 142 E HA -0.045 4.305 4.350 0.000 0.000 0.190 142 E C 0.047 176.590 176.600 -0.095 0.000 0.982 142 E CA 1.154 57.460 56.400 -0.158 0.000 0.800 142 E CB 0.285 29.740 29.700 -0.408 0.000 0.756 142 E HN 0.430 nan 8.360 nan 0.000 0.449 143 T N -0.632 113.852 114.554 -0.117 0.000 2.916 143 T HA 0.274 4.624 4.350 0.000 0.000 0.292 143 T C 0.472 175.141 174.700 -0.053 0.000 1.055 143 T CA -0.795 61.250 62.100 -0.092 0.000 1.009 143 T CB 2.009 70.802 68.868 -0.125 0.000 1.118 143 T HN -0.120 nan 8.240 nan 0.000 0.497 144 R N 1.598 122.075 120.500 -0.037 0.000 2.159 144 R HA -0.109 4.231 4.340 0.000 0.000 0.237 144 R C 1.482 177.766 176.300 -0.028 0.000 1.131 144 R CA 2.335 58.421 56.100 -0.023 0.000 0.982 144 R CB -0.600 29.690 30.300 -0.017 0.000 0.868 144 R HN 0.806 nan 8.270 nan 0.000 0.453 145 D N -0.845 119.531 120.400 -0.040 0.000 2.240 145 D HA -0.046 4.594 4.640 0.000 0.000 0.206 145 D C 0.704 176.980 176.300 -0.040 0.000 0.963 145 D CA 0.519 54.496 54.000 -0.038 0.000 0.863 145 D CB -0.603 40.171 40.800 -0.043 0.000 0.973 145 D HN 0.086 nan 8.370 nan 0.000 0.501 146 V N -0.921 118.962 119.914 -0.053 0.000 3.061 146 V HA 0.190 4.310 4.120 0.000 0.000 0.306 146 V C 0.107 176.181 176.094 -0.034 0.000 1.118 146 V CA -0.213 62.056 62.300 -0.052 0.000 1.231 146 V CB 0.462 32.242 31.823 -0.072 0.000 0.956 146 V HN 0.180 nan 8.190 nan 0.000 0.499 147 T N 3.487 118.024 114.554 -0.028 0.000 2.779 147 T HA 0.500 4.850 4.350 0.000 0.000 0.280 147 T C -0.018 174.676 174.700 -0.010 0.000 0.987 147 T CA -0.123 61.967 62.100 -0.017 0.000 0.966 147 T CB 1.322 70.180 68.868 -0.016 0.000 0.933 147 T HN 0.996 nan 8.240 nan 0.000 0.442 148 T N 3.759 118.312 114.554 -0.001 0.000 2.823 148 T HA 0.707 5.057 4.350 0.000 0.000 0.279 148 T C -0.730 173.975 174.700 0.009 0.000 0.998 148 T CA -0.518 61.587 62.100 0.008 0.000 0.994 148 T CB 0.449 69.327 68.868 0.017 0.000 0.960 148 T HN 0.336 nan 8.240 nan 0.000 0.448 149 L N 2.540 123.770 121.223 0.012 0.000 2.408 149 L HA 0.746 5.086 4.340 0.000 0.000 0.268 149 L C 0.621 177.501 176.870 0.015 0.000 0.986 149 L CA -0.536 54.310 54.840 0.011 0.000 0.820 149 L CB 1.931 43.994 42.059 0.007 0.000 1.303 149 L HN 0.952 nan 8.230 nan 0.000 0.411 150 G N 1.974 110.784 108.800 0.016 0.000 2.660 150 G HA2 -0.187 3.773 3.960 0.000 0.000 0.215 150 G HA3 -0.187 3.773 3.960 0.000 0.000 0.215 150 G C -0.994 173.918 174.900 0.021 0.000 1.345 150 G CA -0.551 44.560 45.100 0.018 0.000 0.877 150 G HN 0.750 nan 8.290 nan 0.000 0.549 151 R N 0.627 121.141 120.500 0.022 0.000 2.294 151 R HA 0.555 4.895 4.340 0.000 0.000 0.319 151 R C 0.917 177.231 176.300 0.024 0.000 0.984 151 R CA 0.074 56.189 56.100 0.025 0.000 0.861 151 R CB 0.632 30.948 30.300 0.026 0.000 1.104 151 R HN 1.432 nan 8.270 nan 0.000 0.451 152 G N 2.264 111.078 108.800 0.023 0.000 2.272 152 G HA2 0.228 4.189 3.960 0.000 0.000 0.247 152 G HA3 0.228 4.189 3.960 0.000 0.000 0.247 152 G C 0.119 175.032 174.900 0.021 0.000 1.272 152 G CA -0.062 45.046 45.100 0.014 0.000 0.921 152 G HN 0.753 nan 8.290 nan 0.000 0.495 153 G N 0.905 109.712 108.800 0.012 0.000 2.671 153 G HA2 0.420 4.380 3.960 0.000 0.000 0.275 153 G HA3 0.420 4.380 3.960 0.000 0.000 0.275 153 G C 1.190 176.100 174.900 0.017 0.000 1.368 153 G CA 0.267 45.379 45.100 0.020 0.000 1.044 153 G HN 0.529 nan 8.290 nan 0.000 0.543 154 S N -0.159 115.555 115.700 0.024 0.000 2.355 154 S HA -0.094 4.377 4.470 0.000 0.000 0.222 154 S C 1.961 176.564 174.600 0.005 0.000 1.031 154 S CA 1.504 59.721 58.200 0.028 0.000 0.993 154 S CB -0.263 62.962 63.200 0.041 0.000 0.859 154 S HN 0.581 nan 8.310 nan 0.000 0.453 155 D N 1.281 121.680 120.400 -0.002 0.000 2.116 155 D HA -0.117 4.523 4.640 0.000 0.000 0.193 155 D C 2.399 178.660 176.300 -0.065 0.000 0.998 155 D CA 1.953 55.941 54.000 -0.021 0.000 0.836 155 D CB -0.830 39.966 40.800 -0.007 0.000 0.951 155 D HN 0.587 nan 8.370 nan 0.000 0.449 156 T N -1.939 112.566 114.554 -0.082 0.000 2.942 156 T HA -0.114 4.236 4.350 0.000 0.000 0.265 156 T C 2.013 176.545 174.700 -0.279 0.000 1.062 156 T CA 1.890 63.878 62.100 -0.187 0.000 1.139 156 T CB -0.518 68.266 68.868 -0.139 0.000 0.883 156 T HN 0.168 nan 8.240 nan 0.000 0.468 157 T N 0.473 114.946 114.554 -0.134 0.000 2.867 157 T HA 0.162 4.513 4.350 0.000 0.000 0.268 157 T C 2.233 176.904 174.700 -0.048 0.000 1.057 157 T CA 1.323 63.389 62.100 -0.057 0.000 1.136 157 T CB -0.798 68.160 68.868 0.150 0.000 0.874 157 T HN 0.515 nan 8.240 nan 0.000 0.466 158 A N 1.433 124.217 122.820 -0.060 0.000 1.855 158 A HA 0.090 4.410 4.320 0.000 0.000 0.215 158 A C 2.706 180.223 177.584 -0.111 0.000 1.191 158 A CA 2.036 54.042 52.037 -0.051 0.000 0.613 158 A CB -1.266 17.713 19.000 -0.034 0.000 0.829 158 A HN 0.888 nan 8.150 nan 0.000 0.442 159 V N -1.529 118.278 119.914 -0.178 0.000 2.453 159 V HA 0.008 4.128 4.120 0.000 0.000 0.247 159 V C 2.472 178.340 176.094 -0.376 0.000 1.048 159 V CA 1.956 64.133 62.300 -0.205 0.000 1.049 159 V CB -1.082 30.662 31.823 -0.132 0.000 0.672 159 V HN 0.572 nan 8.190 nan 0.000 0.457 160 A N 0.725 123.147 122.820 -0.663 0.000 1.883 160 A HA -0.139 4.181 4.320 0.000 0.000 0.217 160 A C 2.264 179.640 177.584 -0.347 0.000 1.186 160 A CA 2.403 53.977 52.037 -0.772 0.000 0.624 160 A CB -0.839 17.605 19.000 -0.927 0.000 0.822 160 A HN 0.618 nan 8.150 nan 0.000 0.444 161 L N -0.894 120.246 121.223 -0.137 0.000 2.012 161 L HA -0.249 4.091 4.340 0.000 0.000 0.210 161 L C 3.148 179.977 176.870 -0.070 0.000 1.073 161 L CA 1.225 56.064 54.840 -0.002 0.000 0.748 161 L CB -0.606 41.482 42.059 0.048 0.000 0.891 161 L HN 0.471 nan 8.230 nan 0.000 0.431 162 A N -0.145 122.622 122.820 -0.089 0.000 1.908 162 A HA -0.217 4.104 4.320 0.000 0.000 0.218 162 A C 2.502 180.036 177.584 -0.084 0.000 1.181 162 A CA 1.920 53.919 52.037 -0.064 0.000 0.627 162 A CB -0.721 18.253 19.000 -0.044 0.000 0.818 162 A HN 0.444 nan 8.150 nan 0.000 0.445 163 A N -0.159 122.559 122.820 -0.170 0.000 1.845 163 A HA 0.170 4.490 4.320 0.000 0.000 0.215 163 A C 2.557 179.995 177.584 -0.243 0.000 1.195 163 A CA 2.247 54.116 52.037 -0.280 0.000 0.616 163 A CB -1.205 17.373 19.000 -0.703 0.000 0.832 163 A HN 1.129 nan 8.150 nan 0.000 0.443 164 A N -0.611 122.069 122.820 -0.234 0.000 1.933 164 A HA 0.007 4.327 4.320 0.000 0.000 0.218 164 A C 1.985 179.538 177.584 -0.051 0.000 1.175 164 A CA 1.529 53.493 52.037 -0.122 0.000 0.628 164 A CB -0.515 18.450 19.000 -0.059 0.000 0.814 164 A HN 0.471 nan 8.150 nan 0.000 0.444 165 L N -1.210 119.984 121.223 -0.048 0.000 2.592 165 L HA 0.133 4.474 4.340 0.000 0.000 0.227 165 L C 0.674 177.535 176.870 -0.015 0.000 1.127 165 L CA 0.223 55.046 54.840 -0.029 0.000 0.884 165 L CB -0.533 41.504 42.059 -0.036 0.000 1.065 165 L HN 0.629 nan 8.230 nan 0.000 0.457 166 N N 0.955 119.646 118.700 -0.014 0.000 2.727 166 N HA -0.164 4.576 4.740 0.000 0.000 0.251 166 N C 0.210 175.728 175.510 0.013 0.000 1.040 166 N CA 0.042 53.099 53.050 0.012 0.000 0.712 166 N CB -0.104 38.398 38.487 0.025 0.000 0.912 166 N HN 0.398 nan 8.380 nan 0.000 0.545 167 A N 0.596 123.420 122.820 0.006 0.000 2.406 167 A HA 0.148 4.468 4.320 0.000 0.000 0.243 167 A C 0.851 178.448 177.584 0.022 0.000 1.082 167 A CA 0.391 52.434 52.037 0.010 0.000 0.786 167 A CB 0.321 19.322 19.000 0.003 0.000 1.029 167 A HN 0.523 nan 8.150 nan 0.000 0.495 168 D N -0.990 119.422 120.400 0.020 0.000 2.194 168 D HA 0.191 4.831 4.640 0.000 0.000 0.204 168 D C 0.232 176.544 176.300 0.021 0.000 0.964 168 D CA 1.518 55.532 54.000 0.023 0.000 0.846 168 D CB 0.255 41.066 40.800 0.018 0.000 0.962 168 D HN 0.268 nan 8.370 nan 0.000 0.490 169 V N -0.717 119.206 119.914 0.014 0.000 3.048 169 V HA 0.377 4.497 4.120 0.000 0.000 0.303 169 V C -1.831 174.261 176.094 -0.003 0.000 1.214 169 V CA -1.127 61.175 62.300 0.004 0.000 0.984 169 V CB 2.165 33.980 31.823 -0.013 0.000 1.054 169 V HN 0.127 nan 8.190 nan 0.000 0.430 170 C N 5.588 124.881 119.300 -0.012 0.000 2.291 170 C HA 0.619 5.079 4.460 0.000 0.000 0.322 170 C C -0.017 174.926 174.990 -0.078 0.000 1.205 170 C CA -0.441 58.559 59.018 -0.030 0.000 1.495 170 C CB -0.358 27.372 27.740 -0.016 0.000 2.127 170 C HN 0.948 nan 8.230 nan 0.000 0.452 171 E N 5.231 125.361 120.200 -0.117 0.000 2.229 171 E HA 0.351 4.701 4.350 0.000 0.000 0.283 171 E C -0.386 176.021 176.600 -0.320 0.000 1.030 171 E CA -0.289 55.948 56.400 -0.272 0.000 0.836 171 E CB 0.998 30.502 29.700 -0.327 0.000 1.068 171 E HN 0.567 nan 8.360 nan 0.000 0.401 172 I N 4.348 124.706 120.570 -0.354 0.000 2.337 172 I HA 0.188 4.358 4.170 0.000 0.000 0.285 172 I C -0.646 175.282 176.117 -0.315 0.000 1.041 172 I CA -0.587 60.564 61.300 -0.249 0.000 1.199 172 I CB -0.386 37.538 38.000 -0.127 0.000 1.370 172 I HN 0.445 nan 8.210 nan 0.000 0.470 173 Y N 4.534 124.693 120.300 -0.234 0.000 2.323 173 Y HA 0.497 5.047 4.550 0.000 0.000 0.331 173 Y C 1.039 176.904 175.900 -0.059 0.000 1.092 173 Y CA 0.130 58.118 58.100 -0.188 0.000 1.150 173 Y CB 1.696 39.925 38.460 -0.386 0.000 1.200 173 Y HN 0.684 nan 8.280 nan 0.000 0.472 174 S N -0.223 115.573 115.700 0.161 0.000 2.873 174 S HA 0.214 4.684 4.470 0.000 0.000 0.303 174 S C -0.280 174.437 174.600 0.195 0.000 1.222 174 S CA -0.363 57.927 58.200 0.151 0.000 0.923 174 S CB 0.738 64.005 63.200 0.112 0.000 1.286 174 S HN 0.523 nan 8.310 nan 0.000 0.571 175 D N 0.277 120.831 120.400 0.256 0.000 2.340 175 D HA 0.173 4.813 4.640 0.000 0.000 0.220 175 D C 0.349 176.776 176.300 0.212 0.000 1.039 175 D CA 0.048 54.260 54.000 0.354 0.000 0.866 175 D CB -0.362 40.633 40.800 0.325 0.000 0.913 175 D HN 0.327 nan 8.370 nan 0.000 0.523 176 V N 2.391 122.398 119.914 0.155 0.000 2.461 176 V HA 0.133 4.254 4.120 0.000 0.000 0.275 176 V C 0.854 177.029 176.094 0.135 0.000 1.047 176 V CA -0.323 62.054 62.300 0.128 0.000 0.955 176 V CB 1.525 33.407 31.823 0.098 0.000 0.988 176 V HN 0.195 nan 8.190 nan 0.000 0.471 177 D N 2.636 123.137 120.400 0.170 0.000 2.363 177 D HA 0.335 4.975 4.640 0.000 0.000 0.214 177 D C 0.441 176.808 176.300 0.111 0.000 1.093 177 D CA 0.598 54.687 54.000 0.147 0.000 0.837 177 D CB 1.125 42.027 40.800 0.170 0.000 0.948 177 D HN 0.706 nan 8.370 nan 0.000 0.507 178 G N -0.977 107.906 108.800 0.140 0.000 2.313 178 G HA2 0.341 4.301 3.960 0.000 0.000 0.296 178 G HA3 0.341 4.301 3.960 0.000 0.000 0.296 178 G C -1.940 173.020 174.900 0.099 0.000 1.356 178 G CA -0.560 44.553 45.100 0.023 0.000 0.833 178 G HN 0.044 nan 8.290 nan 0.000 0.552 179 V N 0.664 120.566 119.914 -0.020 0.000 2.435 179 V HA 0.609 4.729 4.120 0.000 0.000 0.290 179 V C -0.712 175.367 176.094 -0.026 0.000 1.030 179 V CA -0.489 61.846 62.300 0.059 0.000 0.881 179 V CB 0.868 32.697 31.823 0.010 0.000 0.983 179 V HN 0.612 nan 8.190 nan 0.000 0.445 180 Y N 1.475 121.786 120.300 0.017 0.000 2.496 180 Y HA 0.310 4.860 4.550 0.000 0.000 0.331 180 Y C 1.816 177.746 175.900 0.051 0.000 1.140 180 Y CA -0.340 57.778 58.100 0.031 0.000 1.166 180 Y CB 1.972 40.448 38.460 0.027 0.000 1.249 180 Y HN 0.738 nan 8.280 nan 0.000 0.479 181 T N -1.434 113.258 114.554 0.229 0.000 3.035 181 T HA 0.452 4.802 4.350 0.000 0.000 0.268 181 T C 0.408 175.278 174.700 0.282 0.000 1.109 181 T CA 0.747 62.975 62.100 0.214 0.000 1.119 181 T CB -0.147 68.868 68.868 0.244 0.000 0.900 181 T HN 0.704 nan 8.240 nan 0.000 0.503 182 A N 0.427 123.390 122.820 0.240 0.000 2.511 182 A HA 0.522 4.842 4.320 0.000 0.000 0.293 182 A C -1.796 175.822 177.584 0.056 0.000 1.098 182 A CA -0.757 51.360 52.037 0.133 0.000 0.643 182 A CB 0.210 19.257 19.000 0.079 0.000 1.302 182 A HN 0.119 nan 8.150 nan 0.000 0.446 183 D N 0.484 120.880 120.400 -0.006 0.000 2.358 183 D HA 0.396 5.036 4.640 0.000 0.000 0.258 183 D C -1.615 174.620 176.300 -0.108 0.000 1.223 183 D CA -1.471 52.490 54.000 -0.065 0.000 0.886 183 D CB 1.102 41.872 40.800 -0.049 0.000 1.120 183 D HN 0.068 nan 8.370 nan 0.000 0.482 184 P HA -0.114 nan 4.420 nan 0.000 0.220 184 P C 1.095 178.326 177.300 -0.116 0.000 1.148 184 P CA 1.007 64.017 63.100 -0.149 0.000 0.803 184 P CB 0.035 31.598 31.700 -0.228 0.000 0.782 185 R N -0.819 119.614 120.500 -0.112 0.000 2.148 185 R HA -0.040 4.300 4.340 0.000 0.000 0.227 185 R C 1.551 177.811 176.300 -0.067 0.000 1.103 185 R CA 1.329 57.380 56.100 -0.080 0.000 0.983 185 R CB -0.927 29.330 30.300 -0.072 0.000 0.874 185 R HN 0.126 nan 8.270 nan 0.000 0.451 186 I N 0.919 121.445 120.570 -0.073 0.000 2.729 186 I HA 0.068 4.238 4.170 0.000 0.000 0.256 186 I C 0.573 176.640 176.117 -0.084 0.000 1.115 186 I CA 0.391 61.652 61.300 -0.064 0.000 1.446 186 I CB 0.109 38.078 38.000 -0.052 0.000 1.176 186 I HN -0.084 nan 8.210 nan 0.000 0.446 187 V N 4.692 124.532 119.914 -0.123 0.000 2.277 187 V HA 0.203 4.323 4.120 0.000 0.000 0.269 187 V C -1.313 174.675 176.094 -0.178 0.000 1.036 187 V CA -0.992 61.190 62.300 -0.196 0.000 0.821 187 V CB 0.992 32.592 31.823 -0.372 0.000 1.052 187 V HN 0.108 nan 8.190 nan 0.000 0.462 188 P HA -0.091 nan 4.420 nan 0.000 0.222 188 P C 0.683 177.953 177.300 -0.050 0.000 1.147 188 P CA 1.047 64.107 63.100 -0.068 0.000 0.790 188 P CB 0.300 31.975 31.700 -0.042 0.000 0.780 189 N N -0.308 118.344 118.700 -0.079 0.000 2.370 189 N HA 0.178 4.918 4.740 0.000 0.000 0.198 189 N C 0.478 176.010 175.510 0.038 0.000 1.156 189 N CA -0.068 52.986 53.050 0.007 0.000 0.839 189 N CB -0.422 38.120 38.487 0.092 0.000 0.989 189 N HN 0.125 nan 8.380 nan 0.000 0.468 190 A N 0.360 123.127 122.820 -0.088 0.000 2.531 190 A HA 0.152 4.472 4.320 0.000 0.000 0.236 190 A C 0.275 177.995 177.584 0.226 0.000 1.062 190 A CA 0.328 52.405 52.037 0.067 0.000 0.760 190 A CB 0.255 19.277 19.000 0.037 0.000 0.995 190 A HN 0.308 nan 8.150 nan 0.000 0.501 191 Q N 0.395 120.352 119.800 0.262 0.000 2.372 191 Q HA 0.342 4.682 4.340 0.000 0.000 0.273 191 Q C -0.633 175.300 176.000 -0.111 0.000 1.078 191 Q CA -0.755 55.122 55.803 0.123 0.000 0.806 191 Q CB 1.799 30.582 28.738 0.074 0.000 1.332 191 Q HN 0.768 nan 8.270 nan 0.000 0.435 192 K N 3.196 123.317 120.400 -0.465 0.000 2.447 192 K HA 0.062 4.382 4.320 0.000 0.000 0.281 192 K C -0.537 175.848 176.600 -0.358 0.000 1.031 192 K CA -0.277 55.504 56.287 -0.843 0.000 1.019 192 K CB 0.411 32.476 32.500 -0.724 0.000 0.918 192 K HN 0.486 nan 8.250 nan 0.000 0.476 193 L N 4.233 125.282 121.223 -0.289 0.000 2.416 193 L HA 0.007 4.347 4.340 0.000 0.000 0.272 193 L C 1.723 178.506 176.870 -0.145 0.000 1.161 193 L CA 0.795 55.541 54.840 -0.157 0.000 0.845 193 L CB 0.995 42.987 42.059 -0.111 0.000 1.119 193 L HN 0.883 nan 8.230 nan 0.000 0.464 194 E N 2.975 123.111 120.200 -0.107 0.000 2.047 194 E HA -0.106 4.244 4.350 0.000 0.000 0.191 194 E C 0.345 176.889 176.600 -0.093 0.000 0.987 194 E CA 1.068 57.413 56.400 -0.091 0.000 0.799 194 E CB 0.532 30.190 29.700 -0.070 0.000 0.752 194 E HN 0.563 nan 8.360 nan 0.000 0.449 195 K N -0.479 119.866 120.400 -0.092 0.000 2.568 195 K HA 0.396 4.716 4.320 0.000 0.000 0.273 195 K C -1.649 174.891 176.600 -0.101 0.000 0.951 195 K CA -0.718 55.509 56.287 -0.101 0.000 0.854 195 K CB 1.308 33.752 32.500 -0.093 0.000 1.424 195 K HN 0.126 nan 8.250 nan 0.000 0.427 196 L N -1.137 120.011 121.223 -0.125 0.000 2.720 196 L HA 0.631 4.971 4.340 0.000 0.000 0.261 196 L C -0.648 176.115 176.870 -0.179 0.000 1.046 196 L CA -1.019 53.750 54.840 -0.119 0.000 0.886 196 L CB 1.687 43.694 42.059 -0.088 0.000 1.493 196 L HN 0.728 nan 8.230 nan 0.000 0.407 197 S N -0.688 114.923 115.700 -0.148 0.000 2.652 197 S HA 0.493 4.963 4.470 0.000 0.000 0.270 197 S C 0.783 175.281 174.600 -0.170 0.000 1.243 197 S CA -0.555 57.529 58.200 -0.194 0.000 0.999 197 S CB 0.641 63.802 63.200 -0.066 0.000 0.973 197 S HN 0.576 nan 8.310 nan 0.000 0.544 198 F N 0.900 120.847 119.950 -0.005 0.000 2.065 198 F HA -0.102 4.425 4.527 0.000 0.000 0.298 198 F C 2.598 178.396 175.800 -0.003 0.000 1.112 198 F CA 1.883 59.883 58.000 0.000 0.000 1.212 198 F CB -0.709 38.294 39.000 0.006 0.000 0.975 198 F HN 0.561 nan 8.300 nan 0.000 0.476 199 E N 0.307 120.621 120.200 0.191 0.000 2.085 199 E HA -0.204 4.146 4.350 0.000 0.000 0.194 199 E C 1.981 178.612 176.600 0.052 0.000 0.994 199 E CA 1.614 58.072 56.400 0.098 0.000 0.801 199 E CB -0.342 29.398 29.700 0.067 0.000 0.743 199 E HN 0.455 nan 8.360 nan 0.000 0.453 200 E N -0.245 119.972 120.200 0.028 0.000 2.110 200 E HA -0.206 4.144 4.350 0.000 0.000 0.193 200 E C 1.949 178.554 176.600 0.009 0.000 0.988 200 E CA 1.195 57.596 56.400 0.003 0.000 0.804 200 E CB -0.103 29.584 29.700 -0.021 0.000 0.745 200 E HN 0.166 nan 8.360 nan 0.000 0.458 201 M N 0.509 120.119 119.600 0.016 0.000 2.132 201 M HA -0.108 4.372 4.480 0.000 0.000 0.263 201 M C 1.802 178.129 176.300 0.045 0.000 1.065 201 M CA 1.126 56.441 55.300 0.025 0.000 1.122 201 M CB -0.032 32.583 32.600 0.023 0.000 1.365 201 M HN 0.044 nan 8.290 nan 0.000 0.411 202 L N 0.536 121.797 121.223 0.064 0.000 2.042 202 L HA -0.196 4.144 4.340 0.000 0.000 0.210 202 L C 2.398 179.289 176.870 0.035 0.000 1.076 202 L CA 1.845 56.718 54.840 0.056 0.000 0.749 202 L CB -1.406 40.690 42.059 0.062 0.000 0.893 202 L HN 0.381 nan 8.230 nan 0.000 0.432 203 E N -0.791 119.425 120.200 0.026 0.000 2.072 203 E HA -0.137 4.213 4.350 0.000 0.000 0.190 203 E C 2.405 179.016 176.600 0.018 0.000 0.982 203 E CA 0.667 57.075 56.400 0.015 0.000 0.803 203 E CB -0.234 29.468 29.700 0.004 0.000 0.755 203 E HN 0.420 nan 8.360 nan 0.000 0.453 204 L N 0.754 121.990 121.223 0.021 0.000 2.012 204 L HA -0.191 4.149 4.340 0.000 0.000 0.210 204 L C 2.507 179.396 176.870 0.032 0.000 1.073 204 L CA 1.378 56.235 54.840 0.028 0.000 0.748 204 L CB -0.466 41.611 42.059 0.029 0.000 0.891 204 L HN 0.080 nan 8.230 nan 0.000 0.431 205 A N -0.578 122.262 122.820 0.033 0.000 2.066 205 A HA -0.015 4.305 4.320 0.000 0.000 0.218 205 A C 2.423 180.026 177.584 0.031 0.000 1.157 205 A CA 1.265 53.323 52.037 0.035 0.000 0.670 205 A CB -0.482 18.541 19.000 0.038 0.000 0.804 205 A HN 0.412 nan 8.150 nan 0.000 0.453 206 A N -0.238 122.598 122.820 0.027 0.000 2.014 206 A HA 0.129 4.449 4.320 0.000 0.000 0.218 206 A C 1.621 179.220 177.584 0.024 0.000 1.163 206 A CA 1.706 53.756 52.037 0.022 0.000 0.652 206 A CB -0.520 18.489 19.000 0.015 0.000 0.808 206 A HN 1.197 nan 8.150 nan 0.000 0.449 207 V N -4.541 115.389 119.914 0.027 0.000 2.991 207 V HA 0.691 4.811 4.120 0.000 0.000 0.355 207 V C 0.350 176.465 176.094 0.035 0.000 1.384 207 V CA 0.190 62.508 62.300 0.030 0.000 1.171 207 V CB -0.465 31.375 31.823 0.029 0.000 1.190 207 V HN 0.737 nan 8.190 nan 0.000 0.540 208 G N 0.281 109.102 108.800 0.035 0.000 2.570 208 G HA2 0.499 4.459 3.960 0.000 0.000 0.310 208 G HA3 0.499 4.459 3.960 0.000 0.000 0.310 208 G C -0.623 174.297 174.900 0.034 0.000 1.266 208 G CA -0.024 45.097 45.100 0.036 0.000 0.825 208 G HN 0.731 nan 8.290 nan 0.000 0.483 209 S N -0.549 115.171 115.700 0.034 0.000 2.572 209 S HA 0.505 4.975 4.470 0.000 0.000 0.279 209 S C -0.358 174.264 174.600 0.036 0.000 1.341 209 S CA -0.097 58.123 58.200 0.033 0.000 1.043 209 S CB 1.329 64.546 63.200 0.029 0.000 0.887 209 S HN 0.461 nan 8.310 nan 0.000 0.516 210 K N 2.018 122.439 120.400 0.035 0.000 2.292 210 K HA 0.393 4.713 4.320 0.000 0.000 0.270 210 K C 0.584 177.207 176.600 0.037 0.000 1.062 210 K CA -0.511 55.797 56.287 0.036 0.000 0.916 210 K CB 0.546 33.066 32.500 0.034 0.000 1.166 210 K HN 0.477 nan 8.250 nan 0.000 0.458 211 I N 2.496 123.090 120.570 0.039 0.000 2.286 211 I HA -0.094 4.076 4.170 0.000 0.000 0.245 211 I C 0.530 176.666 176.117 0.032 0.000 1.104 211 I CA 1.060 62.383 61.300 0.039 0.000 1.397 211 I CB -0.914 37.110 38.000 0.041 0.000 1.072 211 I HN 0.368 nan 8.210 nan 0.000 0.417 212 L N -1.451 119.790 121.223 0.030 0.000 2.301 212 L HA 0.495 4.835 4.340 0.000 0.000 0.264 212 L C -0.097 176.793 176.870 0.032 0.000 1.016 212 L CA -0.870 53.986 54.840 0.027 0.000 0.821 212 L CB 0.725 42.800 42.059 0.026 0.000 1.346 212 L HN -0.382 nan 8.230 nan 0.000 0.429 213 V N 2.213 122.145 119.914 0.029 0.000 2.585 213 V HA -0.031 4.089 4.120 0.000 0.000 0.296 213 V C 1.465 177.581 176.094 0.038 0.000 1.035 213 V CA -0.242 62.077 62.300 0.031 0.000 1.084 213 V CB 0.745 32.584 31.823 0.025 0.000 0.953 213 V HN 0.613 nan 8.190 nan 0.000 0.483 214 L N 4.758 126.004 121.223 0.038 0.000 2.013 214 L HA -0.143 4.197 4.340 0.000 0.000 0.212 214 L C 2.534 179.433 176.870 0.048 0.000 1.073 214 L CA 1.786 56.651 54.840 0.042 0.000 0.753 214 L CB -1.226 40.852 42.059 0.033 0.000 0.890 214 L HN 0.732 nan 8.230 nan 0.000 0.432 215 R N -0.222 120.305 120.500 0.045 0.000 2.103 215 R HA -0.174 4.166 4.340 0.000 0.000 0.242 215 R C 2.389 178.742 176.300 0.088 0.000 1.142 215 R CA 1.919 58.054 56.100 0.058 0.000 0.960 215 R CB -0.340 29.990 30.300 0.050 0.000 0.858 215 R HN 0.635 nan 8.270 nan 0.000 0.439 216 S N -0.639 115.101 115.700 0.065 0.000 2.387 216 S HA -0.058 4.412 4.470 0.000 0.000 0.226 216 S C 2.193 176.852 174.600 0.097 0.000 1.026 216 S CA 1.177 59.411 58.200 0.058 0.000 0.972 216 S CB -0.514 62.691 63.200 0.007 0.000 0.814 216 S HN 0.109 nan 8.310 nan 0.000 0.477 217 V N 2.449 122.418 119.914 0.093 0.000 2.343 217 V HA -0.130 3.990 4.120 0.000 0.000 0.247 217 V C 2.919 179.074 176.094 0.102 0.000 1.051 217 V CA 2.219 64.596 62.300 0.127 0.000 1.036 217 V CB -1.019 30.880 31.823 0.126 0.000 0.654 217 V HN 0.593 nan 8.190 nan 0.000 0.451 218 E N -0.046 120.198 120.200 0.073 0.000 2.110 218 E HA -0.260 4.090 4.350 0.000 0.000 0.193 218 E C 2.046 178.652 176.600 0.010 0.000 0.988 218 E CA 1.571 57.981 56.400 0.017 0.000 0.804 218 E CB -0.556 29.154 29.700 0.016 0.000 0.745 218 E HN 0.627 nan 8.360 nan 0.000 0.458 219 Y N 0.467 120.749 120.300 -0.030 0.000 2.165 219 Y HA -0.159 4.391 4.550 0.000 0.000 0.286 219 Y C 2.225 178.126 175.900 0.003 0.000 1.155 219 Y CA 1.856 59.963 58.100 0.012 0.000 1.164 219 Y CB -0.843 37.620 38.460 0.005 0.000 0.978 219 Y HN 0.161 nan 8.280 nan 0.000 0.513 220 A N 0.396 123.329 122.820 0.187 0.000 1.883 220 A HA -0.242 4.078 4.320 0.000 0.000 0.217 220 A C 2.432 179.737 177.584 -0.466 0.000 1.186 220 A CA 1.915 53.976 52.037 0.041 0.000 0.624 220 A CB -0.866 18.237 19.000 0.172 0.000 0.822 220 A HN 0.501 nan 8.150 nan 0.000 0.444 221 R N -0.286 119.758 120.500 -0.760 0.000 2.083 221 R HA -0.153 4.187 4.340 0.000 0.000 0.237 221 R C 2.274 178.209 176.300 -0.609 0.000 1.137 221 R CA 1.644 57.024 56.100 -1.200 0.000 0.951 221 R CB -0.473 29.496 30.300 -0.551 0.000 0.851 221 R HN 0.440 nan 8.270 nan 0.000 0.434 222 A N -0.230 122.378 122.820 -0.352 0.000 1.972 222 A HA -0.121 4.199 4.320 0.000 0.000 0.219 222 A C 1.626 178.967 177.584 -0.404 0.000 1.169 222 A CA 1.131 52.956 52.037 -0.353 0.000 0.635 222 A CB -0.359 18.410 19.000 -0.385 0.000 0.810 222 A HN 0.414 nan 8.150 nan 0.000 0.446 223 F N -1.265 118.550 119.950 -0.225 0.000 2.695 223 F HA 0.227 4.754 4.527 0.000 0.000 0.303 223 F C 0.543 176.290 175.800 -0.087 0.000 1.091 223 F CA -0.018 57.911 58.000 -0.119 0.000 1.300 223 F CB -0.305 38.680 39.000 -0.025 0.000 1.071 223 F HN 0.253 nan 8.300 nan 0.000 0.578 224 N N 0.412 119.088 118.700 -0.040 0.000 2.727 224 N HA -0.182 4.558 4.740 0.000 0.000 0.251 224 N C -0.643 174.995 175.510 0.213 0.000 1.040 224 N CA 0.397 53.485 53.050 0.064 0.000 0.712 224 N CB -0.738 37.811 38.487 0.104 0.000 0.912 224 N HN 0.117 nan 8.380 nan 0.000 0.545 225 V N -0.004 120.042 119.914 0.220 0.000 2.364 225 V HA 0.583 4.703 4.120 0.000 0.000 0.272 225 V C -2.138 174.157 176.094 0.335 0.000 1.036 225 V CA -1.877 60.559 62.300 0.227 0.000 0.880 225 V CB 1.189 33.098 31.823 0.142 0.000 0.991 225 V HN -0.003 nan 8.190 nan 0.000 0.460 226 P HA 0.311 nan 4.420 nan 0.000 0.271 226 P C -0.807 176.536 177.300 0.072 0.000 1.216 226 P CA 0.158 63.328 63.100 0.117 0.000 0.771 226 P CB 0.518 32.242 31.700 0.040 0.000 0.864 227 L N 3.315 124.555 121.223 0.028 0.000 2.334 227 L HA 0.613 4.953 4.340 0.000 0.000 0.273 227 L C 0.582 177.410 176.870 -0.070 0.000 1.013 227 L CA -0.793 54.044 54.840 -0.005 0.000 0.816 227 L CB 2.115 44.193 42.059 0.032 0.000 1.278 227 L HN 0.280 nan 8.230 nan 0.000 0.431 228 R N 1.601 122.037 120.500 -0.108 0.000 2.435 228 R HA 0.505 4.845 4.340 0.000 0.000 0.308 228 R C -1.542 174.639 176.300 -0.198 0.000 0.975 228 R CA -0.526 55.486 56.100 -0.147 0.000 0.867 228 R CB 1.854 32.059 30.300 -0.159 0.000 1.171 228 R HN 0.414 nan 8.270 nan 0.000 0.470 229 V N 6.280 126.105 119.914 -0.150 0.000 2.408 229 V HA 0.404 4.525 4.120 0.000 0.000 0.267 229 V C 0.094 176.099 176.094 -0.149 0.000 1.047 229 V CA -0.010 62.208 62.300 -0.138 0.000 0.937 229 V CB 0.634 32.418 31.823 -0.064 0.000 0.999 229 V HN 0.802 nan 8.190 nan 0.000 0.472 230 R N 2.613 122.988 120.500 -0.210 0.000 2.734 230 R HA 0.656 4.996 4.340 0.000 0.000 0.271 230 R C -0.839 175.445 176.300 -0.028 0.000 1.021 230 R CA -0.659 55.355 56.100 -0.144 0.000 0.893 230 R CB 1.624 31.791 30.300 -0.222 0.000 1.244 230 R HN 0.445 nan 8.270 nan 0.000 0.464 231 S N -0.060 115.703 115.700 0.104 0.000 2.565 231 S HA 0.101 4.571 4.470 0.000 0.000 0.274 231 S C 0.832 175.598 174.600 0.276 0.000 1.309 231 S CA -0.140 58.179 58.200 0.198 0.000 1.043 231 S CB 0.926 64.254 63.200 0.212 0.000 0.939 231 S HN 0.689 nan 8.310 nan 0.000 0.504 232 S N 3.757 119.548 115.700 0.152 0.000 2.575 232 S HA 0.142 4.612 4.470 0.000 0.000 0.215 232 S C 0.585 175.005 174.600 -0.301 0.000 0.966 232 S CA -0.060 58.103 58.200 -0.061 0.000 0.911 232 S CB -0.378 62.725 63.200 -0.160 0.000 0.780 232 S HN 0.809 nan 8.310 nan 0.000 0.514 233 Y N 2.418 122.789 120.300 0.119 0.000 2.481 233 Y HA 0.359 4.909 4.550 0.000 0.000 0.258 233 Y C 1.567 177.509 175.900 0.070 0.000 1.103 233 Y CA -0.152 57.994 58.100 0.076 0.000 1.287 233 Y CB 0.175 38.674 38.460 0.065 0.000 1.108 233 Y HN 0.506 nan 8.280 nan 0.000 0.529 234 S N -1.307 114.512 115.700 0.199 0.000 2.841 234 S HA 0.375 4.846 4.470 0.000 0.000 0.318 234 S C -0.141 174.530 174.600 0.118 0.000 1.127 234 S CA -0.755 57.530 58.200 0.142 0.000 0.883 234 S CB 1.374 64.654 63.200 0.133 0.000 1.271 234 S HN 0.099 nan 8.310 nan 0.000 0.567 235 N N 0.708 119.464 118.700 0.094 0.000 2.235 235 N HA 0.255 4.995 4.740 0.000 0.000 0.231 235 N C -1.130 174.423 175.510 0.072 0.000 1.177 235 N CA -0.202 52.900 53.050 0.087 0.000 0.874 235 N CB 0.361 38.888 38.487 0.067 0.000 1.097 235 N HN 0.615 nan 8.380 nan 0.000 0.518 236 D N 1.441 121.884 120.400 0.072 0.000 2.487 236 D HA -0.024 4.616 4.640 0.000 0.000 0.243 236 D C -1.346 174.974 176.300 0.034 0.000 1.154 236 D CA -0.959 53.071 54.000 0.049 0.000 0.876 236 D CB 1.250 42.084 40.800 0.056 0.000 1.161 236 D HN 0.180 nan 8.370 nan 0.000 0.478 237 P HA 0.051 nan 4.420 nan 0.000 0.237 237 P C 0.839 178.112 177.300 -0.045 0.000 1.178 237 P CA 0.594 63.688 63.100 -0.011 0.000 0.766 237 P CB 0.181 31.872 31.700 -0.014 0.000 0.876 238 G N -0.279 108.495 108.800 -0.044 0.000 2.593 238 G HA2 -0.169 3.791 3.960 0.000 0.000 0.237 238 G HA3 -0.169 3.791 3.960 0.000 0.000 0.237 238 G C -0.709 174.136 174.900 -0.092 0.000 1.312 238 G CA -0.182 44.877 45.100 -0.068 0.000 0.896 238 G HN 0.278 nan 8.290 nan 0.000 0.574 239 T N 0.621 115.114 114.554 -0.101 0.000 2.823 239 T HA 0.561 4.911 4.350 0.000 0.000 0.279 239 T C -0.226 174.411 174.700 -0.106 0.000 0.998 239 T CA -0.265 61.771 62.100 -0.108 0.000 0.994 239 T CB 1.829 70.632 68.868 -0.108 0.000 0.960 239 T HN 0.954 nan 8.240 nan 0.000 0.448 240 L N 4.012 125.171 121.223 -0.107 0.000 2.289 240 L HA 0.614 4.955 4.340 0.000 0.000 0.285 240 L C -1.025 175.756 176.870 -0.149 0.000 1.049 240 L CA -0.418 54.352 54.840 -0.117 0.000 0.804 240 L CB 0.412 42.408 42.059 -0.105 0.000 1.195 240 L HN 0.618 nan 8.230 nan 0.000 0.428 241 I N 5.859 126.323 120.570 -0.177 0.000 2.359 241 I HA 0.721 4.891 4.170 0.000 0.000 0.284 241 I C -0.254 175.566 176.117 -0.496 0.000 1.018 241 I CA -0.149 60.981 61.300 -0.284 0.000 1.173 241 I CB 1.117 39.003 38.000 -0.190 0.000 1.326 241 I HN 0.790 nan 8.210 nan 0.000 0.462 242 A N 4.582 127.028 122.820 -0.623 0.000 2.604 242 A HA 0.894 5.214 4.320 0.000 0.000 0.295 242 A C -0.250 177.010 177.584 -0.541 0.000 1.067 242 A CA -0.199 51.443 52.037 -0.658 0.000 0.683 242 A CB 1.476 20.332 19.000 -0.241 0.000 1.281 242 A HN 1.137 nan 8.150 nan 0.000 0.407 243 G N -0.098 108.533 108.800 -0.281 0.000 2.764 243 G HA2 0.332 4.292 3.960 0.000 0.000 0.686 243 G HA3 0.332 4.292 3.960 0.000 0.000 0.686 243 G C 0.076 175.031 174.900 0.092 0.000 1.258 243 G CA 0.189 45.288 45.100 -0.001 0.000 0.846 243 G HN 2.078 nan 8.290 nan 0.000 0.596 244 S N 1.370 117.191 115.700 0.201 0.000 2.601 244 S HA 0.472 4.942 4.470 0.000 0.000 0.271 244 S C 1.861 176.509 174.600 0.079 0.000 1.305 244 S CA 0.444 58.757 58.200 0.189 0.000 1.022 244 S CB 0.967 64.249 63.200 0.136 0.000 0.940 244 S HN 1.284 nan 8.310 nan 0.000 0.525 245 M N 2.732 122.372 119.600 0.067 0.000 2.229 245 M HA -0.061 4.419 4.480 0.000 0.000 0.264 245 M C 1.346 177.660 176.300 0.023 0.000 1.063 245 M CA 1.612 56.930 55.300 0.031 0.000 1.114 245 M CB -0.380 32.236 32.600 0.027 0.000 1.387 245 M HN 0.691 nan 8.290 nan 0.000 0.420 246 E N 1.093 121.309 120.200 0.026 0.000 2.085 246 E HA -0.197 4.153 4.350 0.000 0.000 0.194 246 E C 1.195 177.803 176.600 0.013 0.000 0.994 246 E CA 1.418 57.826 56.400 0.014 0.000 0.801 246 E CB -0.452 29.255 29.700 0.010 0.000 0.743 246 E HN 0.666 nan 8.360 nan 0.000 0.453 247 D N 0.357 120.769 120.400 0.020 0.000 2.340 247 D HA 0.052 4.692 4.640 0.000 0.000 0.220 247 D C 0.780 177.087 176.300 0.011 0.000 1.039 247 D CA 0.011 54.020 54.000 0.016 0.000 0.866 247 D CB 0.146 40.960 40.800 0.023 0.000 0.913 247 D HN 0.206 nan 8.370 nan 0.000 0.523 248 I N 2.194 122.770 120.570 0.010 0.000 2.325 248 I HA 0.207 4.377 4.170 0.000 0.000 0.291 248 I C -2.285 173.838 176.117 0.011 0.000 1.019 248 I CA -2.049 59.254 61.300 0.006 0.000 1.302 248 I CB 1.275 39.275 38.000 -0.000 0.000 1.401 248 I HN -0.296 nan 8.210 nan 0.000 0.485 249 P HA -0.049 nan 4.420 nan 0.000 0.269 249 P C 0.743 178.061 177.300 0.030 0.000 1.209 249 P CA -0.080 63.029 63.100 0.015 0.000 0.776 249 P CB 1.502 33.209 31.700 0.012 0.000 0.876 250 V N 2.617 122.553 119.914 0.036 0.000 2.380 250 V HA -0.257 3.863 4.120 0.000 0.000 0.251 250 V C 2.269 178.441 176.094 0.130 0.000 1.063 250 V CA 2.520 64.865 62.300 0.075 0.000 1.055 250 V CB -0.949 30.892 31.823 0.031 0.000 0.657 250 V HN 0.716 nan 8.190 nan 0.000 0.455 251 E N -0.562 119.688 120.200 0.084 0.000 2.204 251 E HA -0.281 4.069 4.350 0.000 0.000 0.194 251 E C 1.833 178.458 176.600 0.042 0.000 0.989 251 E CA 1.717 58.164 56.400 0.078 0.000 0.824 251 E CB -0.290 29.439 29.700 0.049 0.000 0.756 251 E HN 0.726 nan 8.360 nan 0.000 0.477 252 E N 1.177 121.394 120.200 0.029 0.000 2.170 252 E HA 0.169 4.519 4.350 0.000 0.000 0.191 252 E C 0.449 177.047 176.600 -0.003 0.000 0.981 252 E CA 0.614 57.018 56.400 0.006 0.000 0.830 252 E CB 0.095 29.796 29.700 0.001 0.000 0.775 252 E HN 0.366 nan 8.360 nan 0.000 0.470 253 A N 1.141 123.970 122.820 0.016 0.000 2.566 253 A HA 0.246 4.566 4.320 0.000 0.000 0.245 253 A C 0.350 177.910 177.584 -0.039 0.000 1.056 253 A CA 0.109 52.149 52.037 0.005 0.000 0.757 253 A CB -0.348 18.683 19.000 0.050 0.000 0.979 253 A HN 0.116 nan 8.150 nan 0.000 0.508 254 V N 1.336 121.221 119.914 -0.049 0.000 3.155 254 V HA 0.718 4.838 4.120 0.000 0.000 0.313 254 V C -0.303 175.743 176.094 -0.079 0.000 1.162 254 V CA -1.431 60.827 62.300 -0.070 0.000 1.048 254 V CB 1.577 33.365 31.823 -0.058 0.000 1.092 254 V HN 0.614 nan 8.190 nan 0.000 0.447 255 L N 1.668 122.834 121.223 -0.096 0.000 2.292 255 L HA 0.444 4.784 4.340 0.000 0.000 0.284 255 L C 1.259 178.071 176.870 -0.096 0.000 1.065 255 L CA 0.335 55.098 54.840 -0.128 0.000 0.806 255 L CB 0.816 42.749 42.059 -0.211 0.000 1.175 255 L HN 1.013 nan 8.230 nan 0.000 0.431 256 T N 1.198 115.702 114.554 -0.083 0.000 2.866 256 T HA 0.303 4.653 4.350 0.000 0.000 0.250 256 T C 0.773 175.453 174.700 -0.034 0.000 1.033 256 T CA 0.700 62.768 62.100 -0.054 0.000 1.145 256 T CB 0.539 69.382 68.868 -0.042 0.000 0.866 256 T HN 0.773 nan 8.240 nan 0.000 0.434 257 G N -0.149 108.636 108.800 -0.026 0.000 2.495 257 G HA2 0.504 4.464 3.960 0.000 0.000 0.294 257 G HA3 0.504 4.464 3.960 0.000 0.000 0.294 257 G C -2.177 172.749 174.900 0.044 0.000 1.397 257 G CA -0.634 44.481 45.100 0.026 0.000 0.790 257 G HN 0.129 nan 8.290 nan 0.000 0.486 258 V N 0.067 120.043 119.914 0.104 0.000 2.555 258 V HA 0.841 4.961 4.120 0.000 0.000 0.302 258 V C 0.273 176.426 176.094 0.100 0.000 1.038 258 V CA -0.115 62.252 62.300 0.112 0.000 0.887 258 V CB 1.370 33.284 31.823 0.152 0.000 0.991 258 V HN 1.538 nan 8.190 nan 0.000 0.434 259 A N 3.054 125.925 122.820 0.086 0.000 2.386 259 A HA 0.962 5.282 4.320 0.000 0.000 0.311 259 A C -0.183 177.439 177.584 0.064 0.000 1.068 259 A CA -0.362 51.716 52.037 0.069 0.000 0.743 259 A CB 1.972 21.007 19.000 0.059 0.000 1.258 259 A HN 0.939 nan 8.150 nan 0.000 0.429 260 T N -1.281 113.302 114.554 0.048 0.000 2.916 260 T HA 0.785 5.135 4.350 0.000 0.000 0.292 260 T C -1.492 173.227 174.700 0.031 0.000 1.064 260 T CA -0.598 61.526 62.100 0.040 0.000 1.011 260 T CB 2.137 71.023 68.868 0.029 0.000 1.152 260 T HN 0.584 nan 8.240 nan 0.000 0.510 261 D N 0.006 120.423 120.400 0.028 0.000 2.931 261 D HA 0.246 4.886 4.640 0.000 0.000 0.215 261 D C -0.610 175.700 176.300 0.016 0.000 1.297 261 D CA -0.600 53.413 54.000 0.023 0.000 0.892 261 D CB 1.809 42.626 40.800 0.028 0.000 1.642 261 D HN 0.843 nan 8.370 nan 0.000 0.560 262 K N 0.861 121.268 120.400 0.012 0.000 2.676 262 K HA 0.211 4.531 4.320 0.000 0.000 0.205 262 K C 0.379 176.983 176.600 0.007 0.000 1.084 262 K CA -0.377 55.913 56.287 0.005 0.000 1.057 262 K CB 0.272 32.773 32.500 0.001 0.000 0.791 262 K HN 0.114 nan 8.250 nan 0.000 0.484 263 S N -0.416 115.293 115.700 0.014 0.000 2.556 263 S HA 0.125 4.595 4.470 0.000 0.000 0.216 263 S C -0.039 174.577 174.600 0.026 0.000 0.970 263 S CA -0.420 57.793 58.200 0.021 0.000 0.912 263 S CB -0.103 63.114 63.200 0.027 0.000 0.790 263 S HN 0.382 nan 8.310 nan 0.000 0.504 264 E N 0.614 120.824 120.200 0.017 0.000 2.244 264 E HA 0.731 5.081 4.350 0.000 0.000 0.266 264 E C -0.821 175.770 176.600 -0.016 0.000 0.914 264 E CA -0.928 55.484 56.400 0.021 0.000 0.794 264 E CB 2.109 31.825 29.700 0.028 0.000 1.210 264 E HN 0.338 nan 8.360 nan 0.000 0.414 265 A N 1.848 124.661 122.820 -0.012 0.000 2.281 265 A HA 0.560 4.880 4.320 0.000 0.000 0.329 265 A C -0.706 176.804 177.584 -0.124 0.000 1.122 265 A CA -0.675 51.294 52.037 -0.113 0.000 0.850 265 A CB 0.745 19.702 19.000 -0.072 0.000 1.207 265 A HN 0.619 nan 8.150 nan 0.000 0.495 266 K N 0.172 120.437 120.400 -0.224 0.000 2.324 266 K HA 0.716 5.036 4.320 0.000 0.000 0.253 266 K C -1.675 174.733 176.600 -0.320 0.000 0.932 266 K CA -0.592 55.547 56.287 -0.247 0.000 0.799 266 K CB 2.039 34.431 32.500 -0.181 0.000 1.154 266 K HN 0.272 nan 8.250 nan 0.000 0.425 267 V N 2.416 122.003 119.914 -0.545 0.000 2.495 267 V HA 0.414 4.534 4.120 0.000 0.000 0.298 267 V C -0.744 175.029 176.094 -0.535 0.000 1.031 267 V CA -0.626 61.348 62.300 -0.543 0.000 0.871 267 V CB 2.009 33.351 31.823 -0.801 0.000 0.988 267 V HN 0.962 nan 8.190 nan 0.000 0.432 268 T N 3.778 118.168 114.554 -0.274 0.000 2.812 268 T HA 0.469 4.819 4.350 0.000 0.000 0.282 268 T C -0.417 174.176 174.700 -0.178 0.000 0.990 268 T CA -0.388 61.596 62.100 -0.194 0.000 0.960 268 T CB 1.624 70.418 68.868 -0.122 0.000 0.948 268 T HN 0.323 nan 8.240 nan 0.000 0.438 269 V N 5.351 125.126 119.914 -0.231 0.000 2.385 269 V HA 0.337 4.457 4.120 0.000 0.000 0.269 269 V C 0.084 176.042 176.094 -0.228 0.000 1.043 269 V CA -0.588 61.479 62.300 -0.389 0.000 0.906 269 V CB 0.497 31.859 31.823 -0.768 0.000 0.995 269 V HN 0.718 nan 8.190 nan 0.000 0.467 270 L N 4.293 125.451 121.223 -0.109 0.000 2.307 270 L HA 0.649 4.989 4.340 0.000 0.000 0.282 270 L C 1.123 178.036 176.870 0.072 0.000 1.051 270 L CA -0.033 54.802 54.840 -0.009 0.000 0.804 270 L CB 1.374 43.445 42.059 0.021 0.000 1.197 270 L HN 0.899 nan 8.230 nan 0.000 0.431 271 G N 3.763 112.605 108.800 0.070 0.000 2.212 271 G HA2 -0.233 3.727 3.960 0.000 0.000 0.255 271 G HA3 -0.233 3.727 3.960 0.000 0.000 0.255 271 G C -0.176 174.825 174.900 0.168 0.000 1.062 271 G CA -0.455 44.712 45.100 0.110 0.000 0.815 271 G HN 0.484 nan 8.290 nan 0.000 0.497 272 I N 1.648 122.301 120.570 0.138 0.000 2.441 272 I HA 0.330 4.500 4.170 0.000 0.000 0.287 272 I C 1.298 177.490 176.117 0.124 0.000 1.049 272 I CA -0.133 61.276 61.300 0.182 0.000 1.381 272 I CB 1.348 39.412 38.000 0.107 0.000 1.409 272 I HN 0.401 nan 8.210 nan 0.000 0.523 273 S N 3.252 119.028 115.700 0.127 0.000 2.531 273 S HA 0.062 4.532 4.470 0.000 0.000 0.279 273 S C -0.032 174.612 174.600 0.074 0.000 1.305 273 S CA -0.808 57.443 58.200 0.085 0.000 1.058 273 S CB 1.090 64.333 63.200 0.071 0.000 0.899 273 S HN 0.580 nan 8.310 nan 0.000 0.493 274 D N 2.505 122.939 120.400 0.057 0.000 2.551 274 D HA 0.211 4.851 4.640 0.000 0.000 0.223 274 D C 0.049 176.375 176.300 0.044 0.000 1.144 274 D CA -0.162 53.867 54.000 0.049 0.000 1.025 274 D CB -0.449 40.374 40.800 0.039 0.000 1.085 274 D HN 0.749 nan 8.370 nan 0.000 0.506 275 K N 0.714 121.143 120.400 0.049 0.000 2.512 275 K HA 0.669 4.989 4.320 0.000 0.000 0.263 275 K C -2.989 173.639 176.600 0.046 0.000 0.966 275 K CA -1.979 54.333 56.287 0.042 0.000 0.851 275 K CB 0.926 33.448 32.500 0.038 0.000 1.395 275 K HN -0.216 nan 8.250 nan 0.000 0.440 276 P HA 0.012 nan 4.420 nan 0.000 0.263 276 P C 0.578 177.907 177.300 0.048 0.000 1.175 276 P CA 1.547 64.671 63.100 0.039 0.000 0.761 276 P CB 0.421 32.138 31.700 0.029 0.000 0.794 277 G N 2.122 110.956 108.800 0.056 0.000 2.213 277 G HA2 -0.237 3.723 3.960 0.000 0.000 0.236 277 G HA3 -0.237 3.723 3.960 0.000 0.000 0.236 277 G C 1.103 176.055 174.900 0.087 0.000 0.991 277 G CA -0.071 45.067 45.100 0.063 0.000 0.629 277 G HN 0.499 nan 8.290 nan 0.000 0.517 278 E N 0.531 120.790 120.200 0.099 0.000 2.076 278 E HA 0.122 4.472 4.350 0.000 0.000 0.190 278 E C 2.892 179.579 176.600 0.146 0.000 0.979 278 E CA 1.316 57.798 56.400 0.136 0.000 0.807 278 E CB -0.591 29.192 29.700 0.138 0.000 0.761 278 E HN 0.807 nan 8.360 nan 0.000 0.454 279 A N 1.759 124.660 122.820 0.135 0.000 1.940 279 A HA -0.137 4.183 4.320 0.000 0.000 0.219 279 A C 2.434 180.157 177.584 0.232 0.000 1.176 279 A CA 2.080 54.231 52.037 0.190 0.000 0.631 279 A CB -0.591 18.548 19.000 0.231 0.000 0.814 279 A HN 0.260 nan 8.150 nan 0.000 0.446 280 A N -0.089 122.834 122.820 0.172 0.000 1.908 280 A HA -0.213 4.107 4.320 0.000 0.000 0.218 280 A C 2.101 179.758 177.584 0.121 0.000 1.181 280 A CA 1.960 54.086 52.037 0.148 0.000 0.627 280 A CB -0.477 18.581 19.000 0.097 0.000 0.818 280 A HN 0.572 nan 8.150 nan 0.000 0.445 281 K N -0.552 119.921 120.400 0.121 0.000 2.063 281 K HA -0.100 4.220 4.320 0.000 0.000 0.208 281 K C 1.890 178.562 176.600 0.120 0.000 1.048 281 K CA 1.517 57.884 56.287 0.134 0.000 0.928 281 K CB -0.426 32.188 32.500 0.188 0.000 0.713 281 K HN 0.317 nan 8.250 nan 0.000 0.442 282 V N 0.557 120.482 119.914 0.018 0.000 2.261 282 V HA -0.223 3.897 4.120 0.000 0.000 0.246 282 V C 1.915 177.747 176.094 -0.436 0.000 1.047 282 V CA 1.813 63.927 62.300 -0.309 0.000 1.015 282 V CB -0.457 30.890 31.823 -0.793 0.000 0.642 282 V HN 0.199 nan 8.190 nan 0.000 0.446 283 F N -0.408 119.507 119.950 -0.058 0.000 2.569 283 F HA 0.074 4.601 4.527 0.000 0.000 0.295 283 F C 2.435 178.197 175.800 -0.064 0.000 1.115 283 F CA 0.714 58.647 58.000 -0.111 0.000 1.450 283 F CB -0.247 38.679 39.000 -0.124 0.000 1.107 283 F HN 0.004 nan 8.300 nan 0.000 0.563 284 R N 1.624 122.186 120.500 0.104 0.000 2.081 284 R HA -0.075 4.265 4.340 0.000 0.000 0.235 284 R C 2.119 178.442 176.300 0.037 0.000 1.131 284 R CA 1.683 57.822 56.100 0.065 0.000 0.960 284 R CB -1.037 29.299 30.300 0.059 0.000 0.856 284 R HN 0.163 nan 8.270 nan 0.000 0.436 285 A N 0.420 123.256 122.820 0.026 0.000 1.933 285 A HA -0.075 4.245 4.320 0.000 0.000 0.218 285 A C 2.283 179.871 177.584 0.006 0.000 1.175 285 A CA 1.546 53.597 52.037 0.024 0.000 0.628 285 A CB -0.535 18.494 19.000 0.049 0.000 0.814 285 A HN 0.361 nan 8.150 nan 0.000 0.444 286 L N -1.162 120.044 121.223 -0.029 0.000 2.095 286 L HA -0.082 4.258 4.340 0.000 0.000 0.204 286 L C 3.094 179.962 176.870 -0.002 0.000 1.080 286 L CA 0.857 55.673 54.840 -0.040 0.000 0.759 286 L CB -0.555 41.415 42.059 -0.148 0.000 0.914 286 L HN 0.410 nan 8.230 nan 0.000 0.439 287 A N 0.104 122.935 122.820 0.018 0.000 1.902 287 A HA -0.239 4.081 4.320 0.000 0.000 0.217 287 A C 1.874 179.469 177.584 0.019 0.000 1.181 287 A CA 2.060 54.110 52.037 0.023 0.000 0.623 287 A CB -0.539 18.480 19.000 0.032 0.000 0.818 287 A HN 0.344 nan 8.150 nan 0.000 0.443 288 D N -0.016 120.396 120.400 0.020 0.000 2.178 288 D HA -0.007 4.633 4.640 0.000 0.000 0.201 288 D C 1.919 178.230 176.300 0.018 0.000 0.980 288 D CA 1.414 55.425 54.000 0.018 0.000 0.842 288 D CB -0.293 40.519 40.800 0.019 0.000 0.948 288 D HN 0.449 nan 8.370 nan 0.000 0.472 289 A N -0.049 122.782 122.820 0.018 0.000 2.238 289 A HA 0.070 4.390 4.320 0.000 0.000 0.208 289 A C 0.773 178.370 177.584 0.023 0.000 1.177 289 A CA 0.583 52.632 52.037 0.020 0.000 0.804 289 A CB -0.153 18.860 19.000 0.023 0.000 0.823 289 A HN 0.086 nan 8.150 nan 0.000 0.482 290 E N -1.332 118.880 120.200 0.021 0.000 2.957 290 E HA -0.143 4.208 4.350 0.000 0.000 0.287 290 E C -0.541 176.077 176.600 0.030 0.000 0.976 290 E CA 0.405 56.819 56.400 0.023 0.000 0.907 290 E CB -1.735 27.979 29.700 0.022 0.000 1.456 290 E HN 0.431 nan 8.360 nan 0.000 0.421 291 I N 1.348 121.937 120.570 0.031 0.000 2.505 291 I HA 0.001 4.171 4.170 0.000 0.000 0.287 291 I C 0.964 177.107 176.117 0.043 0.000 1.104 291 I CA 0.466 61.795 61.300 0.049 0.000 1.387 291 I CB 0.170 38.203 38.000 0.056 0.000 1.404 291 I HN 0.152 nan 8.210 nan 0.000 0.528 292 N N 6.619 125.354 118.700 0.059 0.000 2.971 292 N HA 0.086 4.826 4.740 0.000 0.000 0.294 292 N C 0.210 175.765 175.510 0.075 0.000 1.210 292 N CA -0.414 52.668 53.050 0.053 0.000 1.157 292 N CB 0.078 38.597 38.487 0.053 0.000 1.450 292 N HN 0.509 nan 8.380 nan 0.000 0.527 293 I N -1.916 118.686 120.570 0.053 0.000 2.938 293 I HA 0.328 4.498 4.170 0.000 0.000 0.285 293 I C 0.226 176.391 176.117 0.080 0.000 1.182 293 I CA 0.018 61.371 61.300 0.088 0.000 1.388 293 I CB 0.645 38.586 38.000 -0.097 0.000 1.390 293 I HN 0.075 nan 8.210 nan 0.000 0.600 294 D N 3.223 123.713 120.400 0.150 0.000 2.665 294 D HA 0.294 4.934 4.640 0.000 0.000 0.287 294 D C -0.289 176.081 176.300 0.117 0.000 1.266 294 D CA -0.568 53.485 54.000 0.088 0.000 0.830 294 D CB 1.451 42.293 40.800 0.069 0.000 1.356 294 D HN 0.914 nan 8.370 nan 0.000 0.437 295 M N 0.902 120.536 119.600 0.058 0.000 2.206 295 M HA -0.176 4.304 4.480 0.000 0.000 0.197 295 M C -1.251 175.101 176.300 0.086 0.000 0.375 295 M CA 0.051 55.383 55.300 0.053 0.000 0.410 295 M CB -0.963 31.669 32.600 0.052 0.000 1.204 295 M HN 0.164 nan 8.290 nan 0.000 0.932 296 V N 2.113 122.066 119.914 0.064 0.000 2.599 296 V HA 0.211 4.331 4.120 0.000 0.000 0.300 296 V C 0.168 176.301 176.094 0.065 0.000 1.034 296 V CA 0.218 62.580 62.300 0.102 0.000 1.115 296 V CB 1.171 32.949 31.823 -0.075 0.000 0.934 296 V HN 0.488 nan 8.190 nan 0.000 0.485 297 L N 4.804 126.088 121.223 0.101 0.000 2.436 297 L HA 0.580 4.920 4.340 0.000 0.000 0.268 297 L C -0.659 176.250 176.870 0.065 0.000 0.974 297 L CA 0.063 54.937 54.840 0.056 0.000 0.826 297 L CB 1.892 43.972 42.059 0.035 0.000 1.291 297 L HN 0.802 nan 8.230 nan 0.000 0.406 298 Q N 3.878 123.705 119.800 0.045 0.000 2.271 298 Q HA 0.398 4.739 4.340 0.000 0.000 0.268 298 Q C -1.694 174.320 176.000 0.024 0.000 1.021 298 Q CA -0.634 55.194 55.803 0.042 0.000 0.802 298 Q CB 1.782 30.555 28.738 0.058 0.000 1.282 298 Q HN 0.716 nan 8.270 nan 0.000 0.431 299 N N 1.135 119.846 118.700 0.019 0.000 2.530 299 N HA 0.401 5.141 4.740 0.000 0.000 0.283 299 N C -0.512 175.007 175.510 0.015 0.000 1.238 299 N CA -0.258 52.800 53.050 0.012 0.000 0.971 299 N CB 1.477 39.969 38.487 0.009 0.000 1.195 299 N HN 0.478 nan 8.380 nan 0.000 0.583 300 V N 0.062 119.983 119.914 0.012 0.000 2.788 300 V HA 0.215 4.335 4.120 0.000 0.000 0.307 300 V C 0.725 176.829 176.094 0.016 0.000 1.069 300 V CA -0.765 61.543 62.300 0.014 0.000 1.173 300 V CB -0.419 31.411 31.823 0.010 0.000 0.925 300 V HN 0.665 nan 8.190 nan 0.000 0.492 301 S N 3.130 118.841 115.700 0.019 0.000 2.593 301 S HA 0.404 4.875 4.470 0.000 0.000 0.269 301 S C 0.374 174.985 174.600 0.019 0.000 1.334 301 S CA 0.005 58.218 58.200 0.022 0.000 1.015 301 S CB 1.026 64.242 63.200 0.026 0.000 0.912 301 S HN 1.945 nan 8.310 nan 0.000 0.541 302 S N 1.097 116.809 115.700 0.020 0.000 2.523 302 S HA 0.220 4.691 4.470 0.000 0.000 0.275 302 S C 1.336 175.946 174.600 0.017 0.000 1.281 302 S CA -0.430 57.780 58.200 0.017 0.000 1.050 302 S CB 0.606 63.816 63.200 0.017 0.000 0.937 302 S HN 1.389 nan 8.310 nan 0.000 0.492 303 V N 1.440 121.363 119.914 0.014 0.000 2.332 303 V HA -0.128 3.992 4.120 0.000 0.000 0.248 303 V C 2.402 178.504 176.094 0.014 0.000 1.055 303 V CA 1.731 64.039 62.300 0.013 0.000 1.038 303 V CB -1.315 30.515 31.823 0.011 0.000 0.651 303 V HN 0.884 nan 8.190 nan 0.000 0.450 304 E N 1.143 121.351 120.200 0.014 0.000 2.026 304 E HA -0.263 4.087 4.350 0.000 0.000 0.206 304 E C 2.056 178.666 176.600 0.016 0.000 1.028 304 E CA 2.283 58.692 56.400 0.014 0.000 0.845 304 E CB -0.447 29.261 29.700 0.013 0.000 0.772 304 E HN 0.749 nan 8.360 nan 0.000 0.462 305 D N -1.398 119.013 120.400 0.019 0.000 2.305 305 D HA 0.033 4.673 4.640 0.000 0.000 0.206 305 D C 1.158 177.474 176.300 0.026 0.000 0.974 305 D CA 0.949 54.962 54.000 0.023 0.000 0.871 305 D CB 0.225 41.040 40.800 0.026 0.000 0.947 305 D HN 0.383 nan 8.370 nan 0.000 0.516 306 G N 1.719 110.534 108.800 0.025 0.000 2.198 306 G HA2 -0.248 3.713 3.960 0.000 0.000 0.260 306 G HA3 -0.248 3.713 3.960 0.000 0.000 0.260 306 G C 0.437 175.358 174.900 0.036 0.000 1.025 306 G CA 1.003 46.119 45.100 0.028 0.000 0.769 306 G HN 0.559 nan 8.290 nan 0.000 0.507 307 T N -3.585 110.991 114.554 0.037 0.000 2.906 307 T HA 0.829 5.180 4.350 0.000 0.000 0.295 307 T C -0.425 174.298 174.700 0.039 0.000 1.075 307 T CA 0.364 62.492 62.100 0.046 0.000 1.005 307 T CB 3.207 72.107 68.868 0.054 0.000 1.136 307 T HN 0.929 nan 8.240 nan 0.000 0.498 308 T N -0.142 114.437 114.554 0.041 0.000 2.654 308 T HA 0.581 4.931 4.350 0.000 0.000 0.289 308 T C -1.893 172.820 174.700 0.021 0.000 1.062 308 T CA -0.640 61.478 62.100 0.029 0.000 1.041 308 T CB 1.664 70.549 68.868 0.029 0.000 1.417 308 T HN 0.780 nan 8.240 nan 0.000 0.510 309 D N 0.833 121.238 120.400 0.009 0.000 2.433 309 D HA 0.574 5.214 4.640 0.000 0.000 0.236 309 D C -0.748 175.549 176.300 -0.006 0.000 1.026 309 D CA -0.278 53.714 54.000 -0.014 0.000 0.884 309 D CB 1.834 42.624 40.800 -0.018 0.000 1.384 309 D HN 0.462 nan 8.370 nan 0.000 0.477 310 I N 0.873 121.426 120.570 -0.029 0.000 2.447 310 I HA 0.205 4.375 4.170 0.000 0.000 0.287 310 I C -0.275 175.869 176.117 0.046 0.000 1.023 310 I CA -0.372 60.953 61.300 0.041 0.000 1.083 310 I CB 2.106 40.142 38.000 0.060 0.000 1.245 310 I HN 0.015 nan 8.210 nan 0.000 0.434 311 T N 6.375 120.977 114.554 0.080 0.000 2.888 311 T HA 0.738 5.088 4.350 0.000 0.000 0.284 311 T C -0.678 174.132 174.700 0.183 0.000 1.017 311 T CA -0.335 61.777 62.100 0.020 0.000 1.022 311 T CB 1.245 70.093 68.868 -0.033 0.000 1.013 311 T HN 0.422 nan 8.240 nan 0.000 0.465 312 F N -0.801 119.185 119.950 0.059 0.000 2.662 312 F HA 0.807 5.334 4.527 0.000 0.000 0.312 312 F C -0.212 175.622 175.800 0.057 0.000 1.113 312 F CA -1.273 56.780 58.000 0.088 0.000 0.951 312 F CB 0.896 40.010 39.000 0.190 0.000 1.344 312 F HN 0.540 nan 8.300 nan 0.000 0.462 313 T N -0.597 114.100 114.554 0.239 0.000 2.918 313 T HA 0.770 5.120 4.350 0.000 0.000 0.286 313 T C -0.457 174.427 174.700 0.306 0.000 1.026 313 T CA -0.490 61.693 62.100 0.139 0.000 1.031 313 T CB 1.246 70.160 68.868 0.077 0.000 1.046 313 T HN 1.505 nan 8.240 nan 0.000 0.479 314 C N -0.320 119.113 119.300 0.221 0.000 3.236 314 C HA 0.866 5.327 4.460 0.000 0.000 0.312 314 C C -3.073 172.001 174.990 0.140 0.000 1.374 314 C CA -2.473 56.678 59.018 0.222 0.000 1.455 314 C CB 0.802 28.728 27.740 0.311 0.000 1.834 314 C HN 0.662 nan 8.230 nan 0.000 0.460 315 P HA 0.242 nan 4.420 nan 0.000 0.268 315 P C 0.601 177.966 177.300 0.108 0.000 1.205 315 P CA 0.204 63.359 63.100 0.092 0.000 0.771 315 P CB 0.421 32.168 31.700 0.078 0.000 0.858 316 R N 1.451 122.006 120.500 0.091 0.000 2.127 316 R HA -0.138 4.203 4.340 0.000 0.000 0.238 316 R C 2.098 178.475 176.300 0.129 0.000 1.134 316 R CA 2.090 58.260 56.100 0.116 0.000 0.975 316 R CB -0.703 29.644 30.300 0.078 0.000 0.865 316 R HN 0.608 nan 8.270 nan 0.000 0.447 317 S N 0.777 116.532 115.700 0.091 0.000 2.399 317 S HA -0.121 4.349 4.470 0.000 0.000 0.231 317 S C 1.218 175.862 174.600 0.074 0.000 1.022 317 S CA 1.262 59.507 58.200 0.074 0.000 0.983 317 S CB -0.058 63.175 63.200 0.055 0.000 0.803 317 S HN 0.204 nan 8.310 nan 0.000 0.480 318 D N 1.594 122.049 120.400 0.091 0.000 2.347 318 D HA 0.168 4.808 4.640 0.000 0.000 0.213 318 D C 2.047 178.410 176.300 0.106 0.000 0.985 318 D CA 0.779 54.834 54.000 0.091 0.000 0.879 318 D CB -0.704 40.158 40.800 0.105 0.000 0.919 318 D HN 0.520 nan 8.370 nan 0.000 0.526 319 G N 1.284 110.176 108.800 0.154 0.000 2.469 319 G HA2 -0.345 3.615 3.960 0.000 0.000 0.219 319 G HA3 -0.345 3.615 3.960 0.000 0.000 0.219 319 G C 1.637 176.449 174.900 -0.147 0.000 1.150 319 G CA 0.819 46.044 45.100 0.207 0.000 0.763 319 G HN 0.262 nan 8.290 nan 0.000 0.561 320 R N 0.304 120.701 120.500 -0.172 0.000 2.070 320 R HA -0.054 4.286 4.340 0.000 0.000 0.232 320 R C 2.609 178.829 176.300 -0.133 0.000 1.138 320 R CA 1.666 57.622 56.100 -0.239 0.000 0.936 320 R CB -0.405 29.819 30.300 -0.126 0.000 0.839 320 R HN 0.340 nan 8.270 nan 0.000 0.429 321 R N -0.022 120.450 120.500 -0.047 0.000 2.096 321 R HA -0.108 4.232 4.340 0.000 0.000 0.235 321 R C 2.132 178.439 176.300 0.012 0.000 1.127 321 R CA 1.472 57.566 56.100 -0.011 0.000 0.968 321 R CB -0.300 30.007 30.300 0.012 0.000 0.861 321 R HN 0.382 nan 8.270 nan 0.000 0.440 322 A N 0.528 123.373 122.820 0.041 0.000 1.902 322 A HA -0.208 4.112 4.320 0.000 0.000 0.217 322 A C 2.057 179.689 177.584 0.080 0.000 1.181 322 A CA 1.566 53.670 52.037 0.111 0.000 0.623 322 A CB -0.431 18.713 19.000 0.240 0.000 0.818 322 A HN 0.377 nan 8.150 nan 0.000 0.443 323 M N -0.038 119.553 119.600 -0.015 0.000 2.132 323 M HA -0.073 4.407 4.480 0.000 0.000 0.263 323 M C 1.805 178.103 176.300 -0.004 0.000 1.065 323 M CA 1.749 57.026 55.300 -0.037 0.000 1.122 323 M CB -0.544 31.937 32.600 -0.200 0.000 1.365 323 M HN 0.546 nan 8.290 nan 0.000 0.411 324 E N -0.531 119.655 120.200 -0.024 0.000 2.077 324 E HA -0.210 4.140 4.350 0.000 0.000 0.193 324 E C 1.838 178.456 176.600 0.029 0.000 0.989 324 E CA 1.377 57.775 56.400 -0.004 0.000 0.800 324 E CB -0.268 29.423 29.700 -0.015 0.000 0.746 324 E HN 0.357 nan 8.360 nan 0.000 0.452 325 I N 0.925 121.521 120.570 0.043 0.000 2.142 325 I HA -0.245 3.925 4.170 0.000 0.000 0.240 325 I C 2.254 178.438 176.117 0.112 0.000 1.078 325 I CA 1.333 62.670 61.300 0.062 0.000 1.343 325 I CB -0.526 37.509 38.000 0.058 0.000 1.046 325 I HN 0.093 nan 8.210 nan 0.000 0.405 326 L N -0.365 120.950 121.223 0.153 0.000 2.201 326 L HA -0.162 4.178 4.340 0.000 0.000 0.212 326 L C 2.455 179.517 176.870 0.319 0.000 1.105 326 L CA 0.895 55.908 54.840 0.289 0.000 0.775 326 L CB -0.647 41.541 42.059 0.215 0.000 0.913 326 L HN 0.166 nan 8.230 nan 0.000 0.440 327 K N 0.459 120.963 120.400 0.174 0.000 2.057 327 K HA -0.153 4.168 4.320 0.000 0.000 0.206 327 K C 2.114 178.751 176.600 0.062 0.000 1.050 327 K CA 1.110 57.472 56.287 0.126 0.000 0.935 327 K CB -0.051 32.489 32.500 0.068 0.000 0.715 327 K HN 0.069 nan 8.250 nan 0.000 0.439 328 K N 0.859 121.284 120.400 0.041 0.000 2.020 328 K HA -0.128 4.192 4.320 0.000 0.000 0.212 328 K C 1.990 178.555 176.600 -0.058 0.000 1.050 328 K CA 1.099 57.383 56.287 -0.004 0.000 0.929 328 K CB -0.421 32.080 32.500 0.002 0.000 0.714 328 K HN -0.054 nan 8.250 nan 0.000 0.443 329 L N 1.278 122.470 121.223 -0.050 0.000 2.131 329 L HA -0.140 4.200 4.340 0.000 0.000 0.210 329 L C 2.396 178.925 176.870 -0.569 0.000 1.092 329 L CA 1.603 56.290 54.840 -0.255 0.000 0.759 329 L CB -1.038 40.930 42.059 -0.152 0.000 0.903 329 L HN 0.372 nan 8.230 nan 0.000 0.435 330 Q N -0.372 119.220 119.800 -0.347 0.000 2.050 330 Q HA -0.172 4.169 4.340 0.000 0.000 0.202 330 Q C 2.132 177.970 176.000 -0.270 0.000 0.980 330 Q CA 1.967 57.528 55.803 -0.404 0.000 0.840 330 Q CB 0.050 28.828 28.738 0.065 0.000 0.898 330 Q HN 0.352 nan 8.270 nan 0.000 0.424 331 V N 1.321 121.147 119.914 -0.147 0.000 2.759 331 V HA -0.224 3.896 4.120 0.000 0.000 0.256 331 V C 2.075 178.089 176.094 -0.134 0.000 1.080 331 V CA 1.623 63.860 62.300 -0.106 0.000 1.101 331 V CB -0.481 31.307 31.823 -0.058 0.000 0.698 331 V HN 0.414 nan 8.190 nan 0.000 0.477 332 Q N -0.049 119.638 119.800 -0.188 0.000 2.436 332 Q HA 0.055 4.395 4.340 0.000 0.000 0.209 332 Q C 1.775 177.647 176.000 -0.215 0.000 0.965 332 Q CA 0.846 56.537 55.803 -0.187 0.000 0.910 332 Q CB 0.117 28.735 28.738 -0.201 0.000 0.980 332 Q HN 0.770 nan 8.270 nan 0.000 0.491 333 G N 0.805 109.440 108.800 -0.275 0.000 2.144 333 G HA2 -0.207 3.753 3.960 0.000 0.000 0.218 333 G HA3 -0.207 3.753 3.960 0.000 0.000 0.218 333 G C 0.521 175.256 174.900 -0.275 0.000 0.988 333 G CA 0.168 45.135 45.100 -0.223 0.000 0.659 333 G HN 0.280 nan 8.290 nan 0.000 0.522 334 N N -0.554 117.830 118.700 -0.527 0.000 2.459 334 N HA 0.090 4.830 4.740 0.000 0.000 0.181 334 N C 0.690 176.082 175.510 -0.197 0.000 1.046 334 N CA 1.710 54.446 53.050 -0.523 0.000 0.904 334 N CB -0.027 37.853 38.487 -1.012 0.000 0.964 334 N HN 0.875 nan 8.380 nan 0.000 0.444 335 W N -2.920 118.379 121.300 -0.002 0.000 2.937 335 W HA 0.351 5.011 4.660 0.000 0.000 0.360 335 W C 0.560 177.080 176.519 0.002 0.000 1.215 335 W CA -0.738 56.608 57.345 0.001 0.000 1.183 335 W CB -0.161 29.299 29.460 0.001 0.000 1.458 335 W HN -0.468 nan 8.180 nan 0.000 0.574 336 T N 0.605 115.340 114.554 0.301 0.000 2.851 336 T HA 0.019 4.369 4.350 0.000 0.000 0.262 336 T C 0.090 174.899 174.700 0.182 0.000 1.043 336 T CA 1.506 63.708 62.100 0.171 0.000 1.140 336 T CB -0.322 68.615 68.868 0.116 0.000 0.872 336 T HN 0.454 nan 8.240 nan 0.000 0.446 337 N N -0.783 118.059 118.700 0.236 0.000 2.961 337 N HA 0.438 5.178 4.740 0.000 0.000 0.245 337 N C -2.258 173.346 175.510 0.157 0.000 1.404 337 N CA -0.540 52.616 53.050 0.176 0.000 0.880 337 N CB 2.027 40.569 38.487 0.092 0.000 1.461 337 N HN -0.173 nan 8.380 nan 0.000 0.510 338 V N 2.382 122.367 119.914 0.120 0.000 2.483 338 V HA 0.479 4.599 4.120 0.000 0.000 0.297 338 V C -0.340 175.778 176.094 0.040 0.000 1.027 338 V CA -0.677 61.653 62.300 0.049 0.000 0.855 338 V CB 1.325 33.208 31.823 0.100 0.000 0.995 338 V HN 0.449 nan 8.190 nan 0.000 0.424 339 L N 4.222 125.447 121.223 0.003 0.000 2.334 339 L HA 0.627 4.968 4.340 0.000 0.000 0.275 339 L C -1.067 175.840 176.870 0.062 0.000 1.036 339 L CA -0.798 54.056 54.840 0.023 0.000 0.807 339 L CB 1.467 43.516 42.059 -0.017 0.000 1.231 339 L HN 0.615 nan 8.230 nan 0.000 0.438 340 Y N 1.643 121.906 120.300 -0.062 0.000 2.361 340 Y HA 0.461 5.011 4.550 0.000 0.000 0.337 340 Y C -1.228 174.639 175.900 -0.055 0.000 0.965 340 Y CA -1.085 56.974 58.100 -0.067 0.000 1.091 340 Y CB 1.665 40.103 38.460 -0.037 0.000 1.182 340 Y HN 0.535 nan 8.280 nan 0.000 0.450 341 D N 4.510 124.505 120.400 -0.675 0.000 2.479 341 D HA 0.189 4.829 4.640 0.000 0.000 0.246 341 D C -1.064 174.861 176.300 -0.625 0.000 1.336 341 D CA -0.483 53.212 54.000 -0.508 0.000 0.967 341 D CB 0.963 41.607 40.800 -0.261 0.000 1.275 341 D HN 0.676 nan 8.370 nan 0.000 0.577 342 D N 2.146 122.208 120.400 -0.563 0.000 2.559 342 D HA 0.051 4.691 4.640 0.000 0.000 0.234 342 D C 0.016 176.219 176.300 -0.162 0.000 1.226 342 D CA -0.059 53.724 54.000 -0.361 0.000 0.830 342 D CB 0.156 40.788 40.800 -0.280 0.000 1.028 342 D HN 0.402 nan 8.370 nan 0.000 0.492 343 Q N 0.333 120.047 119.800 -0.143 0.000 2.129 343 Q HA 0.251 4.591 4.340 0.000 0.000 0.274 343 Q C -0.621 175.337 176.000 -0.069 0.000 0.854 343 Q CA -0.280 55.475 55.803 -0.080 0.000 1.123 343 Q CB 2.216 30.918 28.738 -0.061 0.000 1.226 343 Q HN 0.128 nan 8.270 nan 0.000 0.454 344 V N 0.049 119.914 119.914 -0.082 0.000 2.532 344 V HA 0.838 4.958 4.120 0.000 0.000 0.295 344 V C -0.081 175.991 176.094 -0.036 0.000 1.041 344 V CA -0.219 62.044 62.300 -0.061 0.000 0.926 344 V CB 1.489 33.264 31.823 -0.080 0.000 0.992 344 V HN 0.335 nan 8.190 nan 0.000 0.457 345 G N 4.671 113.461 108.800 -0.018 0.000 2.537 345 G HA2 0.704 4.664 3.960 0.000 0.000 0.308 345 G HA3 0.704 4.664 3.960 0.000 0.000 0.308 345 G C -1.268 173.640 174.900 0.013 0.000 1.237 345 G CA -0.895 44.204 45.100 -0.001 0.000 0.968 345 G HN 0.997 nan 8.290 nan 0.000 0.481 346 K N -0.831 119.585 120.400 0.026 0.000 2.378 346 K HA 0.735 5.055 4.320 0.000 0.000 0.252 346 K C -1.173 175.465 176.600 0.063 0.000 0.931 346 K CA -0.737 55.577 56.287 0.045 0.000 0.794 346 K CB 2.478 35.002 32.500 0.039 0.000 1.181 346 K HN 0.366 nan 8.250 nan 0.000 0.425 347 V N 0.954 120.928 119.914 0.100 0.000 2.680 347 V HA 0.644 4.764 4.120 0.000 0.000 0.309 347 V C -0.623 175.595 176.094 0.206 0.000 1.052 347 V CA -0.826 61.551 62.300 0.129 0.000 0.908 347 V CB 1.621 33.516 31.823 0.119 0.000 1.001 347 V HN 0.899 nan 8.190 nan 0.000 0.431 348 S N 3.095 118.907 115.700 0.188 0.000 2.569 348 S HA 0.809 5.279 4.470 0.000 0.000 0.280 348 S C -1.189 173.545 174.600 0.223 0.000 1.111 348 S CA -0.533 57.787 58.200 0.200 0.000 0.887 348 S CB 2.075 65.329 63.200 0.090 0.000 1.095 348 S HN 0.721 nan 8.310 nan 0.000 0.476 349 L N 2.665 124.029 121.223 0.234 0.000 2.341 349 L HA 0.792 5.133 4.340 0.000 0.000 0.278 349 L C -1.359 175.506 176.870 -0.009 0.000 1.005 349 L CA -0.391 54.516 54.840 0.112 0.000 0.818 349 L CB 1.453 43.602 42.059 0.150 0.000 1.259 349 L HN 0.494 nan 8.230 nan 0.000 0.418 350 V N 3.757 123.649 119.914 -0.035 0.000 2.680 350 V HA 0.991 5.112 4.120 0.000 0.000 0.309 350 V C 0.121 176.169 176.094 -0.077 0.000 1.052 350 V CA -0.155 62.116 62.300 -0.048 0.000 0.908 350 V CB 1.610 33.422 31.823 -0.019 0.000 1.001 350 V HN 0.975 nan 8.190 nan 0.000 0.431 351 G N 1.841 110.596 108.800 -0.076 0.000 2.476 351 G HA2 0.550 4.510 3.960 0.000 0.000 0.309 351 G HA3 0.550 4.510 3.960 0.000 0.000 0.309 351 G C 0.255 175.124 174.900 -0.051 0.000 1.575 351 G CA 0.193 45.248 45.100 -0.076 0.000 0.913 351 G HN 0.987 nan 8.290 nan 0.000 0.623 352 A N 1.017 123.817 122.820 -0.034 0.000 1.948 352 A HA 0.111 4.432 4.320 0.000 0.000 0.220 352 A C 2.690 180.278 177.584 0.006 0.000 1.177 352 A CA 2.938 54.968 52.037 -0.011 0.000 0.636 352 A CB -0.738 18.258 19.000 -0.008 0.000 0.815 352 A HN 1.914 nan 8.150 nan 0.000 0.449 353 G N 0.131 108.923 108.800 -0.014 0.000 2.516 353 G HA2 -0.216 3.744 3.960 0.000 0.000 0.221 353 G HA3 -0.216 3.744 3.960 0.000 0.000 0.221 353 G C 1.448 176.379 174.900 0.051 0.000 1.107 353 G CA 1.318 46.414 45.100 -0.006 0.000 0.747 353 G HN 0.829 nan 8.290 nan 0.000 0.567 354 M N -0.813 118.796 119.600 0.015 0.000 2.502 354 M HA 0.429 4.909 4.480 0.000 0.000 0.243 354 M C 2.000 178.328 176.300 0.047 0.000 1.130 354 M CA 0.750 56.067 55.300 0.028 0.000 1.055 354 M CB 0.174 32.747 32.600 -0.045 0.000 1.457 354 M HN 0.052 nan 8.290 nan 0.000 0.488 355 K N 1.298 121.725 120.400 0.045 0.000 2.009 355 K HA -0.061 4.259 4.320 0.000 0.000 0.210 355 K C 0.988 177.596 176.600 0.013 0.000 1.049 355 K CA 1.987 58.286 56.287 0.021 0.000 0.929 355 K CB 0.035 32.543 32.500 0.015 0.000 0.714 355 K HN 0.418 nan 8.250 nan 0.000 0.440 356 S N -0.738 114.974 115.700 0.019 0.000 2.559 356 S HA 0.121 4.591 4.470 0.000 0.000 0.226 356 S C -0.918 173.551 174.600 -0.219 0.000 1.000 356 S CA -0.397 57.744 58.200 -0.098 0.000 0.948 356 S CB 0.365 63.473 63.200 -0.154 0.000 0.870 356 S HN 0.310 nan 8.310 nan 0.000 0.497 357 H N 2.142 121.214 119.070 0.004 0.000 2.595 357 H HA 0.422 4.978 4.556 0.000 0.000 0.313 357 H C -2.605 172.737 175.328 0.023 0.000 1.023 357 H CA -1.617 54.440 56.048 0.015 0.000 1.218 357 H CB 0.552 30.328 29.762 0.023 0.000 1.403 357 H HN 0.097 nan 8.280 nan 0.000 0.477 358 P HA 0.153 nan 4.420 nan 0.000 0.270 358 P C 1.036 178.399 177.300 0.106 0.000 1.223 358 P CA 0.445 63.591 63.100 0.076 0.000 0.785 358 P CB 0.861 32.587 31.700 0.043 0.000 0.923 359 G N -0.466 108.391 108.800 0.095 0.000 2.213 359 G HA2 -0.279 3.681 3.960 0.000 0.000 0.236 359 G HA3 -0.279 3.681 3.960 0.000 0.000 0.236 359 G C 0.947 175.945 174.900 0.164 0.000 0.991 359 G CA 0.198 45.363 45.100 0.109 0.000 0.629 359 G HN 0.394 nan 8.290 nan 0.000 0.517 360 V N 1.254 121.278 119.914 0.184 0.000 2.307 360 V HA -0.157 3.963 4.120 0.000 0.000 0.245 360 V C 2.977 179.249 176.094 0.297 0.000 1.045 360 V CA 3.157 65.620 62.300 0.271 0.000 1.024 360 V CB -1.026 30.873 31.823 0.128 0.000 0.651 360 V HN 0.526 nan 8.190 nan 0.000 0.449 361 T N 0.587 115.235 114.554 0.157 0.000 2.684 361 T HA -0.215 4.135 4.350 0.000 0.000 0.267 361 T C 2.069 176.884 174.700 0.193 0.000 1.036 361 T CA 1.716 63.890 62.100 0.123 0.000 1.148 361 T CB -0.529 68.355 68.868 0.027 0.000 0.863 361 T HN 0.568 nan 8.240 nan 0.000 0.436 362 A N 1.722 124.631 122.820 0.149 0.000 1.865 362 A HA -0.193 4.128 4.320 0.000 0.000 0.217 362 A C 2.245 179.912 177.584 0.139 0.000 1.191 362 A CA 1.848 53.958 52.037 0.122 0.000 0.623 362 A CB -0.682 18.366 19.000 0.081 0.000 0.826 362 A HN 0.584 nan 8.150 nan 0.000 0.444 363 E N -1.529 118.764 120.200 0.155 0.000 2.118 363 E HA -0.190 4.160 4.350 0.000 0.000 0.195 363 E C 1.772 178.443 176.600 0.120 0.000 0.992 363 E CA 1.227 57.660 56.400 0.055 0.000 0.804 363 E CB -0.282 29.377 29.700 -0.069 0.000 0.741 363 E HN 0.712 nan 8.360 nan 0.000 0.458 364 F N 1.185 121.279 119.950 0.240 0.000 2.069 364 F HA -0.294 4.233 4.527 0.000 0.000 0.298 364 F C 2.257 178.124 175.800 0.112 0.000 1.113 364 F CA 1.420 59.575 58.000 0.259 0.000 1.214 364 F CB 0.023 39.163 39.000 0.233 0.000 0.978 364 F HN -0.029 nan 8.300 nan 0.000 0.474 365 M N 0.223 120.072 119.600 0.415 0.000 2.159 365 M HA -0.180 4.300 4.480 0.000 0.000 0.263 365 M C 1.998 178.357 176.300 0.097 0.000 1.063 365 M CA 1.529 56.980 55.300 0.253 0.000 1.110 365 M CB -1.525 31.189 32.600 0.191 0.000 1.374 365 M HN 0.273 nan 8.290 nan 0.000 0.411 366 E N 0.572 120.810 120.200 0.063 0.000 2.077 366 E HA -0.130 4.220 4.350 0.000 0.000 0.193 366 E C 2.163 178.738 176.600 -0.040 0.000 0.989 366 E CA 1.354 57.756 56.400 0.003 0.000 0.800 366 E CB -0.180 29.512 29.700 -0.014 0.000 0.746 366 E HN 0.523 nan 8.360 nan 0.000 0.452 367 A N 1.191 123.962 122.820 -0.081 0.000 1.883 367 A HA -0.186 4.134 4.320 0.000 0.000 0.217 367 A C 2.182 179.703 177.584 -0.105 0.000 1.186 367 A CA 1.234 53.194 52.037 -0.129 0.000 0.624 367 A CB -0.641 18.239 19.000 -0.200 0.000 0.822 367 A HN 0.147 nan 8.150 nan 0.000 0.444 368 L N -1.289 119.871 121.223 -0.106 0.000 2.156 368 L HA -0.099 4.241 4.340 0.000 0.000 0.208 368 L C 2.743 179.595 176.870 -0.030 0.000 1.095 368 L CA 1.352 56.148 54.840 -0.072 0.000 0.770 368 L CB -0.616 41.408 42.059 -0.059 0.000 0.914 368 L HN 0.496 nan 8.230 nan 0.000 0.439 369 R N 0.762 121.254 120.500 -0.013 0.000 2.091 369 R HA -0.199 4.141 4.340 0.000 0.000 0.238 369 R C 1.563 177.853 176.300 -0.016 0.000 1.136 369 R CA 2.062 58.159 56.100 -0.005 0.000 0.959 369 R CB -0.136 30.166 30.300 0.003 0.000 0.856 369 R HN 0.303 nan 8.270 nan 0.000 0.437 370 D N 0.055 120.438 120.400 -0.028 0.000 2.312 370 D HA -0.082 4.558 4.640 0.000 0.000 0.211 370 D C 1.412 177.695 176.300 -0.030 0.000 0.964 370 D CA 1.072 55.054 54.000 -0.031 0.000 0.877 370 D CB 0.330 41.105 40.800 -0.041 0.000 0.924 370 D HN 0.316 nan 8.370 nan 0.000 0.515 371 V N -2.180 117.714 119.914 -0.033 0.000 3.342 371 V HA 0.212 4.332 4.120 0.000 0.000 0.322 371 V C 0.592 176.674 176.094 -0.021 0.000 1.370 371 V CA -0.481 61.802 62.300 -0.028 0.000 1.170 371 V CB -0.694 31.108 31.823 -0.034 0.000 1.101 371 V HN 0.096 nan 8.190 nan 0.000 0.442 372 N N 0.580 119.270 118.700 -0.017 0.000 2.705 372 N HA -0.162 4.578 4.740 0.000 0.000 0.255 372 N C -0.350 175.155 175.510 -0.008 0.000 1.008 372 N CA 0.830 53.873 53.050 -0.010 0.000 0.742 372 N CB -0.454 38.028 38.487 -0.009 0.000 0.906 372 N HN 0.516 nan 8.380 nan 0.000 0.541 373 V N 1.976 121.885 119.914 -0.008 0.000 2.370 373 V HA 0.223 4.343 4.120 0.000 0.000 0.283 373 V C 0.716 176.815 176.094 0.009 0.000 1.023 373 V CA -0.818 61.480 62.300 -0.003 0.000 0.857 373 V CB 1.535 33.352 31.823 -0.010 0.000 0.985 373 V HN 0.276 nan 8.190 nan 0.000 0.443 374 N N 4.408 123.115 118.700 0.011 0.000 2.488 374 N HA 0.348 5.088 4.740 0.000 0.000 0.274 374 N C -0.815 174.713 175.510 0.030 0.000 1.111 374 N CA -0.491 52.569 53.050 0.018 0.000 0.974 374 N CB 0.881 39.375 38.487 0.011 0.000 1.089 374 N HN 0.556 nan 8.380 nan 0.000 0.465 375 I N 3.201 123.797 120.570 0.044 0.000 2.297 375 I HA 0.098 4.268 4.170 0.000 0.000 0.291 375 I C 1.164 177.304 176.117 0.039 0.000 1.033 375 I CA -0.175 61.162 61.300 0.062 0.000 1.253 375 I CB 1.324 39.382 38.000 0.096 0.000 1.396 375 I HN 0.600 nan 8.210 nan 0.000 0.476 376 E N 5.094 125.311 120.200 0.029 0.000 2.102 376 E HA 0.204 4.554 4.350 0.000 0.000 0.190 376 E C 0.000 176.605 176.600 0.008 0.000 0.971 376 E CA 0.540 56.946 56.400 0.011 0.000 0.821 376 E CB 0.751 30.450 29.700 -0.002 0.000 0.777 376 E HN 0.484 nan 8.360 nan 0.000 0.460 377 L N 0.565 121.795 121.223 0.013 0.000 2.434 377 L HA 0.505 4.845 4.340 0.000 0.000 0.260 377 L C -1.804 175.071 176.870 0.008 0.000 0.983 377 L CA -0.652 54.191 54.840 0.005 0.000 0.820 377 L CB 1.947 44.004 42.059 -0.004 0.000 1.361 377 L HN -0.114 nan 8.230 nan 0.000 0.410 378 I N 2.885 123.452 120.570 -0.006 0.000 2.533 378 I HA 0.557 4.727 4.170 0.000 0.000 0.290 378 I C -0.573 175.521 176.117 -0.039 0.000 1.056 378 I CA -0.313 60.968 61.300 -0.031 0.000 1.057 378 I CB 2.075 40.050 38.000 -0.042 0.000 1.240 378 I HN 0.550 nan 8.210 nan 0.000 0.423 379 S N 3.154 118.820 115.700 -0.056 0.000 2.661 379 S HA 0.803 5.273 4.470 0.000 0.000 0.285 379 S C -0.990 173.563 174.600 -0.078 0.000 1.138 379 S CA -0.250 57.920 58.200 -0.050 0.000 0.855 379 S CB 2.343 65.527 63.200 -0.027 0.000 1.136 379 S HN 0.640 nan 8.310 nan 0.000 0.484 380 T N 1.368 115.884 114.554 -0.064 0.000 2.942 380 T HA 0.616 4.966 4.350 0.000 0.000 0.327 380 T C -1.031 173.636 174.700 -0.055 0.000 1.360 380 T CA -0.504 61.550 62.100 -0.076 0.000 1.055 380 T CB 1.520 70.340 68.868 -0.080 0.000 1.261 380 T HN 0.865 nan 8.240 nan 0.000 0.485 381 S N 0.801 116.468 115.700 -0.055 0.000 2.759 381 S HA 0.482 4.952 4.470 0.000 0.000 0.310 381 S C 1.219 175.793 174.600 -0.043 0.000 1.123 381 S CA -0.338 57.837 58.200 -0.042 0.000 0.959 381 S CB 1.463 64.644 63.200 -0.032 0.000 1.172 381 S HN 0.905 nan 8.310 nan 0.000 0.539 382 E N -0.013 120.168 120.200 -0.033 0.000 2.268 382 E HA -0.087 4.263 4.350 0.000 0.000 0.195 382 E C 1.189 177.771 176.600 -0.030 0.000 0.995 382 E CA 1.361 57.743 56.400 -0.030 0.000 0.836 382 E CB -0.656 29.031 29.700 -0.022 0.000 0.763 382 E HN 0.786 nan 8.360 nan 0.000 0.491 383 I N -1.936 118.615 120.570 -0.032 0.000 3.833 383 I HA 0.432 4.602 4.170 0.000 0.000 0.328 383 I C -0.039 176.047 176.117 -0.052 0.000 1.554 383 I CA -0.898 60.380 61.300 -0.037 0.000 1.116 383 I CB 0.468 38.454 38.000 -0.024 0.000 1.182 383 I HN -0.091 nan 8.210 nan 0.000 0.459 384 R N 1.632 122.094 120.500 -0.064 0.000 2.584 384 R HA 0.671 5.011 4.340 0.000 0.000 0.276 384 R C -1.990 174.237 176.300 -0.123 0.000 1.046 384 R CA -0.606 55.448 56.100 -0.076 0.000 0.906 384 R CB 2.272 32.543 30.300 -0.048 0.000 1.215 384 R HN 0.311 nan 8.270 nan 0.000 0.449 385 I N 2.697 123.157 120.570 -0.184 0.000 2.378 385 I HA 0.346 4.516 4.170 0.000 0.000 0.291 385 I C -0.512 175.435 176.117 -0.282 0.000 0.992 385 I CA -0.530 60.559 61.300 -0.352 0.000 1.154 385 I CB 2.222 39.777 38.000 -0.742 0.000 1.315 385 I HN 0.522 nan 8.210 nan 0.000 0.448 386 S N 5.219 120.798 115.700 -0.202 0.000 2.526 386 S HA 0.766 5.236 4.470 0.000 0.000 0.293 386 S C -0.581 173.993 174.600 -0.042 0.000 1.092 386 S CA -0.691 57.474 58.200 -0.059 0.000 0.980 386 S CB 2.359 65.549 63.200 -0.018 0.000 1.048 386 S HN 0.475 nan 8.310 nan 0.000 0.483 387 V N 0.915 120.876 119.914 0.078 0.000 3.007 387 V HA 0.714 4.834 4.120 0.000 0.000 0.311 387 V C -1.291 174.852 176.094 0.082 0.000 1.120 387 V CA -1.043 61.311 62.300 0.090 0.000 0.980 387 V CB 1.436 33.375 31.823 0.193 0.000 1.033 387 V HN 0.763 nan 8.190 nan 0.000 0.429 388 L N 4.237 125.490 121.223 0.050 0.000 2.309 388 L HA 0.777 5.117 4.340 0.000 0.000 0.282 388 L C -0.150 176.738 176.870 0.030 0.000 1.036 388 L CA -0.556 54.302 54.840 0.030 0.000 0.806 388 L CB 1.585 43.646 42.059 0.003 0.000 1.220 388 L HN 0.871 nan 8.230 nan 0.000 0.429 389 I N -1.391 119.191 120.570 0.021 0.000 3.354 389 I HA 0.576 4.746 4.170 0.000 0.000 0.316 389 I C -0.652 175.463 176.117 -0.004 0.000 1.182 389 I CA -1.365 59.943 61.300 0.014 0.000 0.942 389 I CB 1.671 39.686 38.000 0.025 0.000 1.299 389 I HN 0.363 nan 8.210 nan 0.000 0.473 390 R N 2.026 122.521 120.500 -0.008 0.000 2.570 390 R HA 0.055 4.395 4.340 0.000 0.000 0.277 390 R C 1.117 177.409 176.300 -0.013 0.000 1.039 390 R CA 0.341 56.431 56.100 -0.016 0.000 1.065 390 R CB 0.379 30.670 30.300 -0.015 0.000 0.964 390 R HN 0.900 nan 8.270 nan 0.000 0.428 391 E N 1.542 121.731 120.200 -0.018 0.000 2.160 391 E HA -0.232 4.118 4.350 0.000 0.000 0.195 391 E C 0.068 176.662 176.600 -0.010 0.000 0.991 391 E CA 1.270 57.662 56.400 -0.013 0.000 0.810 391 E CB 0.056 29.746 29.700 -0.017 0.000 0.742 391 E HN 0.420 nan 8.360 nan 0.000 0.466 392 D N 1.118 121.511 120.400 -0.012 0.000 2.310 392 D HA -0.100 4.540 4.640 0.000 0.000 0.212 392 D C 0.846 177.140 176.300 -0.010 0.000 0.965 392 D CA 0.849 54.842 54.000 -0.011 0.000 0.879 392 D CB -0.126 40.667 40.800 -0.011 0.000 0.921 392 D HN 0.229 nan 8.370 nan 0.000 0.510 393 D N -0.249 120.146 120.400 -0.009 0.000 2.349 393 D HA 0.049 4.689 4.640 0.000 0.000 0.215 393 D C 2.203 178.498 176.300 -0.008 0.000 1.016 393 D CA -0.083 53.912 54.000 -0.009 0.000 0.870 393 D CB 0.150 40.946 40.800 -0.006 0.000 0.917 393 D HN 0.217 nan 8.370 nan 0.000 0.524 394 L N 0.606 121.825 121.223 -0.005 0.000 1.989 394 L HA -0.220 4.120 4.340 0.000 0.000 0.211 394 L C 1.847 178.712 176.870 -0.007 0.000 1.071 394 L CA 1.283 56.122 54.840 -0.002 0.000 0.749 394 L CB -0.205 41.855 42.059 0.001 0.000 0.890 394 L HN -0.049 nan 8.230 nan 0.000 0.431 395 D N -0.038 120.355 120.400 -0.011 0.000 2.106 395 D HA -0.207 4.433 4.640 0.000 0.000 0.191 395 D C 2.163 178.452 176.300 -0.019 0.000 0.997 395 D CA 1.626 55.616 54.000 -0.017 0.000 0.834 395 D CB -0.210 40.578 40.800 -0.019 0.000 0.956 395 D HN 0.359 nan 8.370 nan 0.000 0.448 396 A N 0.946 123.754 122.820 -0.019 0.000 1.865 396 A HA -0.107 4.213 4.320 0.000 0.000 0.217 396 A C 2.323 179.890 177.584 -0.029 0.000 1.191 396 A CA 2.740 54.764 52.037 -0.023 0.000 0.623 396 A CB -0.999 17.988 19.000 -0.021 0.000 0.826 396 A HN 0.253 nan 8.150 nan 0.000 0.444 397 A N -0.216 122.585 122.820 -0.031 0.000 1.865 397 A HA 0.112 4.433 4.320 0.000 0.000 0.217 397 A C 2.563 180.117 177.584 -0.050 0.000 1.191 397 A CA 2.480 54.485 52.037 -0.052 0.000 0.623 397 A CB -1.205 17.771 19.000 -0.040 0.000 0.826 397 A HN 1.169 nan 8.150 nan 0.000 0.444 398 A N -0.638 122.173 122.820 -0.016 0.000 1.883 398 A HA -0.189 4.131 4.320 0.000 0.000 0.217 398 A C 2.245 179.849 177.584 0.034 0.000 1.186 398 A CA 1.984 54.029 52.037 0.013 0.000 0.624 398 A CB -0.465 18.544 19.000 0.014 0.000 0.822 398 A HN 0.507 nan 8.150 nan 0.000 0.444 399 R N -0.629 119.874 120.500 0.005 0.000 2.073 399 R HA -0.057 4.284 4.340 0.000 0.000 0.234 399 R C 2.419 178.738 176.300 0.032 0.000 1.134 399 R CA 1.481 57.587 56.100 0.010 0.000 0.952 399 R CB -0.456 29.834 30.300 -0.017 0.000 0.850 399 R HN 0.500 nan 8.270 nan 0.000 0.433 400 A N 0.440 123.255 122.820 -0.009 0.000 1.877 400 A HA -0.143 4.177 4.320 0.000 0.000 0.216 400 A C 2.125 179.687 177.584 -0.037 0.000 1.186 400 A CA 1.256 53.271 52.037 -0.036 0.000 0.620 400 A CB -0.592 18.366 19.000 -0.070 0.000 0.822 400 A HN 0.272 nan 8.150 nan 0.000 0.443 401 L N -1.570 119.636 121.223 -0.029 0.000 2.056 401 L HA -0.195 4.145 4.340 0.000 0.000 0.207 401 L C 2.749 179.725 176.870 0.176 0.000 1.078 401 L CA 1.592 56.452 54.840 0.034 0.000 0.749 401 L CB -0.719 41.320 42.059 -0.033 0.000 0.901 401 L HN 0.582 nan 8.230 nan 0.000 0.433 402 H N 0.831 119.940 119.070 0.065 0.000 2.352 402 H HA -0.215 4.341 4.556 0.000 0.000 0.299 402 H C 2.127 177.496 175.328 0.067 0.000 1.097 402 H CA 2.191 58.288 56.048 0.082 0.000 1.311 402 H CB 0.261 30.050 29.762 0.046 0.000 1.377 402 H HN 0.571 nan 8.280 nan 0.000 0.504 403 E N 0.038 120.332 120.200 0.156 0.000 2.170 403 E HA -0.170 4.180 4.350 0.000 0.000 0.191 403 E C 2.269 178.846 176.600 -0.037 0.000 0.981 403 E CA 0.737 57.179 56.400 0.070 0.000 0.830 403 E CB -0.215 29.524 29.700 0.065 0.000 0.775 403 E HN 0.281 nan 8.360 nan 0.000 0.470 404 Q N 0.749 120.487 119.800 -0.103 0.000 2.135 404 Q HA -0.129 4.211 4.340 0.000 0.000 0.204 404 Q C 1.088 176.838 176.000 -0.417 0.000 0.981 404 Q CA 1.826 57.452 55.803 -0.296 0.000 0.856 404 Q CB -0.334 28.139 28.738 -0.442 0.000 0.902 404 Q HN 0.459 nan 8.270 nan 0.000 0.425 405 F N 0.147 120.055 119.950 -0.069 0.000 2.693 405 F HA 0.262 4.789 4.527 0.000 0.000 0.303 405 F C 0.205 175.937 175.800 -0.113 0.000 1.097 405 F CA -0.271 57.682 58.000 -0.079 0.000 1.330 405 F CB 0.466 39.423 39.000 -0.072 0.000 1.067 405 F HN -0.044 nan 8.300 nan 0.000 0.565 406 Q N 1.156 120.952 119.800 -0.006 0.000 2.453 406 Q HA -0.197 4.143 4.340 0.000 0.000 0.330 406 Q C 0.511 176.460 176.000 -0.085 0.000 1.417 406 Q CA 0.449 56.230 55.803 -0.037 0.000 0.902 406 Q CB -1.775 26.953 28.738 -0.017 0.000 1.154 406 Q HN 0.561 nan 8.270 nan 0.000 0.395 407 L N -1.348 119.718 121.223 -0.261 0.000 2.627 407 L HA 0.203 4.543 4.340 0.000 0.000 0.232 407 L C 1.176 177.973 176.870 -0.122 0.000 1.150 407 L CA 0.823 55.478 54.840 -0.309 0.000 0.917 407 L CB 0.326 42.020 42.059 -0.608 0.000 1.104 407 L HN 0.496 nan 8.230 nan 0.000 0.445 408 G N -0.372 108.431 108.800 0.005 0.000 3.813 408 G HA2 0.354 4.314 3.960 0.000 0.000 0.234 408 G HA3 0.354 4.314 3.960 0.000 0.000 0.234 408 G C -0.326 174.639 174.900 0.108 0.000 3.831 408 G CA -0.199 44.958 45.100 0.095 0.000 0.585 408 G HN 0.310 nan 8.290 nan 0.000 0.267 409 G N 0.000 108.839 108.800 0.065 0.000 5.446 409 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 409 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 409 G CA 0.000 45.132 45.100 0.054 0.000 0.502 409 G HN 0.000 nan 8.290 nan 0.000 0.925