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 3foi_1_F DATA FIRST_RESID 21 DATA SEQUENCE NNSTGTAALA GKFQWGPAFQ IKQVTNEVDL VNTFGQPTAE TADYFMSAMN DATA SEQUENCE FLQYGNDLRV VRAVDRDTAK NSSPIAGNIE YTISTPGSNY AVGDKITVKY DATA SEQUENCE VSDDIETEGK ITEVDADGKI KKINIPTAKI IAKAKEVGEY PTLGSNWTAE DATA SEQUENCE ISSSSSGLAA VITLGKIITD SGILLAEIEN AEAAMTAVDF QANLKKYGIP DATA SEQUENCE GVVALYPGEL GDKIEIEIVS KADYAKGASA LLPIYPGGGT RASTAKAVFG DATA SEQUENCE YGPQTDSQYA IIVRRNDAIV QSVVLSTKRG GKDIYDSNIY IDDFFAKGGS DATA SEQUENCE EYIFATAQNW PEGFSGILTL SGGLSSNAEV TAGDLMEAWD FFADRESVDV DATA SEQUENCE QLFIAGSCAG ESLETASTVQ KHVVSIGDVR QDCLVLCSPP RETVVGIPVT DATA SEQUENCE RAVDNLVNWR TAAGSYTDNN FNISSTYAAI DGNYKYQYDK YNDVNRWVPL DATA SEQUENCE AADIAGLCAR TDNVXXXXXX XXXXXRGQIL NVIKLAIETP 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 21 N HA 0.000 nan 4.740 nan 0.000 0.220 21 N C 0.000 175.527 175.510 0.028 0.000 1.280 21 N CA 0.000 53.068 53.050 0.030 0.000 0.885 21 N CB 0.000 38.508 38.487 0.035 0.000 1.341 22 N N 0.670 119.385 118.700 0.024 0.000 2.862 22 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 22 N C -0.552 174.974 175.510 0.027 0.000 1.116 22 N CA 1.557 54.620 53.050 0.022 0.000 0.727 22 N CB -1.915 36.584 38.487 0.020 0.000 1.083 22 N HN 1.107 nan 8.380 nan 0.000 0.555 23 S N -3.887 111.831 115.700 0.030 0.000 3.807 23 S HA -0.224 4.246 4.470 -0.000 0.000 0.304 23 S C 0.206 174.832 174.600 0.045 0.000 1.152 23 S CA 2.011 60.232 58.200 0.035 0.000 0.852 23 S CB -2.458 60.762 63.200 0.032 0.000 0.924 23 S HN 1.872 nan 8.310 nan 0.000 0.545 24 T N -0.759 113.822 114.554 0.046 0.000 3.704 24 T HA -0.111 4.239 4.350 -0.000 0.000 0.388 24 T C 0.826 175.568 174.700 0.069 0.000 0.763 24 T CA 1.521 63.654 62.100 0.055 0.000 2.005 24 T CB -2.025 66.876 68.868 0.055 0.000 1.752 24 T HN 2.380 nan 8.240 nan 0.000 0.747 25 G N 2.899 111.744 108.800 0.075 0.000 2.687 25 G HA2 0.394 4.354 3.960 -0.000 0.000 0.288 25 G HA3 0.394 4.354 3.960 -0.000 0.000 0.288 25 G C 0.226 175.208 174.900 0.136 0.000 0.713 25 G CA 0.186 45.347 45.100 0.102 0.000 2.023 25 G HN 0.684 nan 8.290 nan 0.000 0.529 26 T N 1.707 116.323 114.554 0.105 0.000 2.733 26 T HA 0.564 4.914 4.350 -0.000 0.000 0.294 26 T C 0.768 175.490 174.700 0.037 0.000 0.956 26 T CA -0.036 62.111 62.100 0.080 0.000 0.987 26 T CB 1.410 70.312 68.868 0.056 0.000 0.920 26 T HN 0.652 nan 8.240 nan 0.000 0.470 27 A N 2.978 125.797 122.820 -0.002 0.000 2.240 27 A HA 0.924 5.244 4.320 -0.000 0.000 0.292 27 A C 0.068 177.438 177.584 -0.357 0.000 1.121 27 A CA -0.700 51.215 52.037 -0.204 0.000 0.851 27 A CB 0.448 19.095 19.000 -0.588 0.000 1.167 27 A HN 1.050 nan 8.150 nan 0.000 0.503 28 A N -0.616 121.891 122.820 -0.521 0.000 2.465 28 A HA 0.611 4.931 4.320 -0.000 0.000 0.292 28 A C -1.353 175.939 177.584 -0.488 0.000 1.041 28 A CA -0.234 51.349 52.037 -0.756 0.000 0.718 28 A CB 1.045 19.152 19.000 -1.488 0.000 1.266 28 A HN 1.900 nan 8.150 nan 0.000 0.403 29 L N 1.930 122.928 121.223 -0.375 0.000 2.455 29 L HA 0.951 5.291 4.340 -0.000 0.000 0.264 29 L C -0.576 175.979 176.870 -0.525 0.000 0.968 29 L CA 0.040 54.763 54.840 -0.196 0.000 0.827 29 L CB 2.057 44.017 42.059 -0.165 0.000 1.317 29 L HN 1.465 nan 8.230 nan 0.000 0.407 30 A N 2.877 125.017 122.820 -1.134 0.000 2.422 30 A HA 1.005 5.325 4.320 -0.000 0.000 0.302 30 A C -0.410 176.682 177.584 -0.820 0.000 1.041 30 A CA 0.185 51.493 52.037 -1.214 0.000 0.708 30 A CB 1.517 19.316 19.000 -2.002 0.000 1.257 30 A HN 1.370 nan 8.150 nan 0.000 0.414 31 G N 0.801 109.105 108.800 -0.827 0.000 2.342 31 G HA2 0.470 4.429 3.960 -0.000 0.000 0.297 31 G HA3 0.470 4.429 3.960 -0.000 0.000 0.297 31 G C -1.619 172.295 174.900 -1.645 0.000 1.313 31 G CA -0.968 43.413 45.100 -1.199 0.000 0.830 31 G HN 0.735 nan 8.290 nan 0.000 0.506 32 K N 0.048 119.285 120.400 -1.938 0.000 2.276 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.283 32 K C -1.179 174.751 176.600 -1.117 0.000 1.044 32 K CA 0.105 55.683 56.287 -1.181 0.000 0.944 32 K CB 1.102 33.149 32.500 -0.756 0.000 1.012 32 K HN 0.322 nan 8.250 nan 0.000 0.472 33 F N 0.181 120.001 119.950 -0.215 0.000 2.620 33 F HA 0.174 4.701 4.527 -0.000 0.000 0.320 33 F C 1.569 177.389 175.800 0.033 0.000 1.069 33 F CA -1.013 56.968 58.000 -0.032 0.000 0.953 33 F CB 1.906 40.947 39.000 0.069 0.000 1.322 33 F HN 0.487 nan 8.300 nan 0.000 0.479 34 Q N 0.718 120.727 119.800 0.348 0.000 2.435 34 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 34 Q C -0.835 175.384 176.000 0.366 0.000 0.956 34 Q CA 0.798 56.749 55.803 0.247 0.000 0.917 34 Q CB 0.548 29.387 28.738 0.168 0.000 0.997 34 Q HN 0.576 nan 8.270 nan 0.000 0.497 35 W N -0.510 120.815 121.300 0.042 0.000 3.439 35 W HA 0.408 5.068 4.660 -0.000 0.000 0.323 35 W C -0.392 175.951 176.519 -0.293 0.000 1.174 35 W CA -0.657 56.620 57.345 -0.114 0.000 1.224 35 W CB 1.209 30.563 29.460 -0.175 0.000 1.348 35 W HN 0.033 nan 8.180 nan 0.000 0.498 36 G N 4.352 112.623 108.800 -0.882 0.000 2.631 36 G HA2 0.291 4.251 3.960 -0.000 0.000 0.271 36 G HA3 0.291 4.251 3.960 -0.000 0.000 0.271 36 G C -2.452 171.236 174.900 -2.020 0.000 1.302 36 G CA -0.769 43.736 45.100 -0.991 0.000 1.002 36 G HN 0.225 nan 8.290 nan 0.000 0.519 37 P HA 0.263 nan 4.420 nan 0.000 0.268 37 P C -0.524 176.608 177.300 -0.279 0.000 1.205 37 P CA 0.123 62.926 63.100 -0.494 0.000 0.771 37 P CB 1.019 32.596 31.700 -0.205 0.000 0.858 38 A N 3.949 126.662 122.820 -0.179 0.000 2.301 38 A HA 0.513 4.833 4.320 -0.000 0.000 0.298 38 A C 0.010 177.529 177.584 -0.108 0.000 1.185 38 A CA -0.664 51.253 52.037 -0.199 0.000 0.830 38 A CB -0.725 18.228 19.000 -0.079 0.000 1.112 38 A HN 0.509 nan 8.150 nan 0.000 0.508 39 F N -0.310 119.453 119.950 -0.313 0.000 2.943 39 F HA -0.218 4.309 4.527 -0.000 0.000 0.258 39 F C 0.572 176.105 175.800 -0.445 0.000 0.995 39 F CA 1.455 59.127 58.000 -0.548 0.000 0.896 39 F CB -1.552 37.254 39.000 -0.324 0.000 0.821 39 F HN 0.732 nan 8.300 nan 0.000 0.828 40 Q N 0.319 119.955 119.800 -0.272 0.000 2.315 40 Q HA 0.472 4.812 4.340 -0.000 0.000 0.273 40 Q C -0.002 175.921 176.000 -0.129 0.000 1.053 40 Q CA -1.010 54.731 55.803 -0.104 0.000 0.817 40 Q CB 2.228 30.952 28.738 -0.024 0.000 1.326 40 Q HN 0.176 nan 8.270 nan 0.000 0.423 41 I N 2.214 122.755 120.570 -0.048 0.000 2.528 41 I HA 0.051 4.221 4.170 -0.000 0.000 0.276 41 I C 0.290 176.419 176.117 0.020 0.000 1.056 41 I CA -0.127 61.149 61.300 -0.040 0.000 1.858 41 I CB -1.262 36.729 38.000 -0.016 0.000 1.448 41 I HN 0.323 nan 8.210 nan 0.000 0.776 42 K N 3.116 123.534 120.400 0.031 0.000 2.401 42 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 42 K C 0.061 176.700 176.600 0.065 0.000 1.018 42 K CA 0.256 56.584 56.287 0.069 0.000 0.981 42 K CB 0.511 33.083 32.500 0.120 0.000 0.933 42 K HN 0.428 nan 8.250 nan 0.000 0.477 43 Q N 2.418 122.252 119.800 0.056 0.000 2.227 43 Q HA 0.510 4.849 4.340 -0.000 0.000 0.245 43 Q C -1.242 174.782 176.000 0.040 0.000 0.926 43 Q CA -0.886 54.941 55.803 0.039 0.000 0.895 43 Q CB 1.239 30.003 28.738 0.043 0.000 1.230 43 Q HN 0.405 nan 8.270 nan 0.000 0.450 44 V N 2.570 122.490 119.914 0.010 0.000 2.709 44 V HA 0.328 4.448 4.120 -0.000 0.000 0.308 44 V C -0.116 175.991 176.094 0.021 0.000 1.062 44 V CA -0.404 61.902 62.300 0.010 0.000 0.901 44 V CB 2.128 33.917 31.823 -0.055 0.000 1.003 44 V HN 1.056 nan 8.190 nan 0.000 0.425 45 T N 1.693 116.266 114.554 0.032 0.000 3.028 45 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 45 T C 0.526 175.251 174.700 0.042 0.000 0.979 45 T CA 0.049 62.177 62.100 0.047 0.000 1.004 45 T CB 0.254 69.147 68.868 0.043 0.000 1.120 45 T HN 0.601 nan 8.240 nan 0.000 0.482 46 N N 1.156 119.874 118.700 0.030 0.000 2.502 46 N HA 0.322 5.062 4.740 -0.000 0.000 0.280 46 N C 0.808 176.329 175.510 0.019 0.000 1.223 46 N CA -0.561 52.506 53.050 0.028 0.000 0.966 46 N CB 1.344 39.850 38.487 0.032 0.000 1.203 46 N HN 0.126 nan 8.380 nan 0.000 0.565 47 E N 0.105 120.324 120.200 0.031 0.000 2.021 47 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 47 E C 0.988 177.633 176.600 0.075 0.000 0.980 47 E CA 0.716 57.139 56.400 0.039 0.000 0.803 47 E CB 0.088 29.843 29.700 0.092 0.000 0.766 47 E HN 0.284 nan 8.360 nan 0.000 0.449 48 V N 1.809 121.779 119.914 0.094 0.000 3.140 48 V HA -0.178 3.942 4.120 -0.000 0.000 0.269 48 V C 1.565 177.703 176.094 0.072 0.000 1.149 48 V CA 1.849 64.211 62.300 0.103 0.000 1.162 48 V CB -0.518 31.355 31.823 0.083 0.000 0.756 48 V HN 0.261 nan 8.190 nan 0.000 0.523 49 D N -0.316 120.113 120.400 0.050 0.000 2.392 49 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 49 D C 1.750 178.072 176.300 0.036 0.000 1.046 49 D CA 0.375 54.398 54.000 0.038 0.000 0.865 49 D CB 0.325 41.145 40.800 0.033 0.000 0.969 49 D HN 0.457 nan 8.370 nan 0.000 0.509 50 L N -1.452 119.780 121.223 0.015 0.000 2.202 50 L HA 0.190 4.530 4.340 -0.000 0.000 0.205 50 L C 1.926 178.827 176.870 0.052 0.000 1.083 50 L CA 0.873 55.722 54.840 0.017 0.000 0.790 50 L CB -1.044 40.897 42.059 -0.197 0.000 0.942 50 L HN -0.181 nan 8.230 nan 0.000 0.452 51 V N 1.540 121.496 119.914 0.070 0.000 2.255 51 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 51 V C 2.696 178.828 176.094 0.063 0.000 1.051 51 V CA 2.157 64.551 62.300 0.157 0.000 1.018 51 V CB -1.269 30.676 31.823 0.203 0.000 0.641 51 V HN 0.684 nan 8.190 nan 0.000 0.445 52 N N 0.249 118.974 118.700 0.041 0.000 2.133 52 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 52 N C 1.558 177.048 175.510 -0.033 0.000 1.012 52 N CA 2.622 55.672 53.050 -0.001 0.000 0.871 52 N CB -0.234 38.260 38.487 0.012 0.000 1.011 52 N HN 0.571 nan 8.380 nan 0.000 0.435 53 T N -2.401 112.116 114.554 -0.061 0.000 3.018 53 T HA 0.242 4.592 4.350 -0.000 0.000 0.246 53 T C 0.029 174.381 174.700 -0.581 0.000 1.026 53 T CA 0.250 62.162 62.100 -0.314 0.000 1.081 53 T CB 0.253 68.826 68.868 -0.492 0.000 0.970 53 T HN 0.198 nan 8.240 nan 0.000 0.475 54 F N 0.577 120.475 119.950 -0.086 0.000 2.671 54 F HA 0.431 4.958 4.527 -0.000 0.000 0.384 54 F C 1.755 177.563 175.800 0.015 0.000 1.351 54 F CA -1.098 56.831 58.000 -0.118 0.000 1.151 54 F CB -0.034 38.593 39.000 -0.622 0.000 1.147 54 F HN 0.108 nan 8.300 nan 0.000 0.513 55 G N 0.105 109.015 108.800 0.183 0.000 2.624 55 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.221 55 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.221 55 G C 0.896 175.839 174.900 0.071 0.000 1.169 55 G CA 1.134 46.350 45.100 0.193 0.000 0.771 55 G HN 0.247 nan 8.290 nan 0.000 0.598 56 Q N -0.032 119.635 119.800 -0.222 0.000 2.297 56 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 56 Q C -2.774 172.891 176.000 -0.558 0.000 1.045 56 Q CA -2.038 53.355 55.803 -0.682 0.000 0.861 56 Q CB 2.225 30.772 28.738 -0.318 0.000 1.344 56 Q HN 0.067 nan 8.270 nan 0.000 0.452 57 P HA 0.121 nan 4.420 nan 0.000 0.295 57 P C -0.367 176.842 177.300 -0.152 0.000 1.354 57 P CA -0.273 62.626 63.100 -0.335 0.000 0.814 57 P CB 0.667 32.131 31.700 -0.394 0.000 0.935 58 T N 0.129 114.657 114.554 -0.043 0.000 2.816 58 T HA 0.420 4.770 4.350 -0.000 0.000 0.282 58 T C 1.347 176.046 174.700 -0.002 0.000 0.993 58 T CA -0.284 61.801 62.100 -0.024 0.000 0.994 58 T CB 0.685 69.554 68.868 0.003 0.000 1.025 58 T HN 0.205 nan 8.240 nan 0.000 0.529 59 A N 0.166 122.983 122.820 -0.005 0.000 2.248 59 A HA 0.101 4.421 4.320 -0.000 0.000 0.210 59 A C 1.894 179.492 177.584 0.023 0.000 1.174 59 A CA 1.398 53.438 52.037 0.004 0.000 0.750 59 A CB -0.895 18.104 19.000 -0.001 0.000 0.780 59 A HN 0.935 nan 8.150 nan 0.000 0.478 60 E N -2.084 118.135 120.200 0.032 0.000 2.511 60 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 60 E C 1.349 177.995 176.600 0.077 0.000 0.986 60 E CA 1.020 57.446 56.400 0.042 0.000 0.974 60 E CB 0.356 30.067 29.700 0.018 0.000 1.030 60 E HN 0.317 nan 8.360 nan 0.000 0.490 61 T N -0.790 113.822 114.554 0.097 0.000 2.999 61 T HA 0.290 4.640 4.350 -0.000 0.000 0.247 61 T C 1.670 176.531 174.700 0.268 0.000 1.012 61 T CA 0.422 62.624 62.100 0.171 0.000 1.048 61 T CB 0.017 68.983 68.868 0.162 0.000 1.020 61 T HN 0.221 nan 8.240 nan 0.000 0.478 62 A N 2.797 125.705 122.820 0.147 0.000 1.861 62 A HA -0.361 3.959 4.320 -0.000 0.000 0.248 62 A C 1.804 179.477 177.584 0.149 0.000 2.075 62 A CA 2.642 54.747 52.037 0.113 0.000 0.818 62 A CB -1.264 17.757 19.000 0.035 0.000 0.844 62 A HN 0.417 nan 8.150 nan 0.000 0.498 63 D N -2.127 118.293 120.400 0.033 0.000 2.354 63 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 63 D C 1.401 177.589 176.300 -0.187 0.000 0.970 63 D CA 1.185 55.114 54.000 -0.118 0.000 0.905 63 D CB -0.239 40.393 40.800 -0.280 0.000 0.903 63 D HN 0.757 nan 8.370 nan 0.000 0.508 64 Y N -1.621 118.737 120.300 0.097 0.000 2.441 64 Y HA 0.114 4.664 4.550 -0.000 0.000 0.288 64 Y C 1.901 178.003 175.900 0.337 0.000 1.118 64 Y CA -0.271 57.898 58.100 0.115 0.000 1.215 64 Y CB -0.444 37.891 38.460 -0.208 0.000 1.118 64 Y HN -0.114 nan 8.280 nan 0.000 0.547 65 F N 0.444 120.628 119.950 0.390 0.000 2.031 65 F HA -0.307 4.220 4.527 -0.000 0.000 0.295 65 F C 2.290 178.168 175.800 0.130 0.000 1.133 65 F CA 1.703 59.833 58.000 0.217 0.000 1.188 65 F CB -0.309 38.752 39.000 0.101 0.000 0.974 65 F HN -0.020 nan 8.300 nan 0.000 0.473 66 M N 0.282 120.146 119.600 0.438 0.000 2.110 66 M HA -0.289 4.191 4.480 -0.000 0.000 0.257 66 M C 2.552 178.953 176.300 0.168 0.000 1.071 66 M CA 2.038 57.507 55.300 0.281 0.000 1.096 66 M CB -1.253 31.463 32.600 0.193 0.000 1.300 66 M HN 0.230 nan 8.290 nan 0.000 0.411 67 S N -0.553 115.227 115.700 0.133 0.000 2.390 67 S HA -0.289 4.181 4.470 -0.000 0.000 0.234 67 S C 1.870 176.525 174.600 0.092 0.000 1.063 67 S CA 1.898 60.159 58.200 0.102 0.000 1.108 67 S CB -0.617 62.621 63.200 0.064 0.000 0.975 67 S HN 0.606 nan 8.310 nan 0.000 0.442 68 A N 1.361 124.192 122.820 0.018 0.000 1.825 68 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 68 A C 2.165 179.769 177.584 0.033 0.000 1.206 68 A CA 1.787 53.784 52.037 -0.067 0.000 0.609 68 A CB -1.059 17.786 19.000 -0.257 0.000 0.851 68 A HN 0.593 nan 8.150 nan 0.000 0.445 69 M N 0.845 120.391 119.600 -0.090 0.000 2.471 69 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 69 M C 1.590 177.964 176.300 0.124 0.000 1.065 69 M CA 2.717 58.017 55.300 -0.001 0.000 1.075 69 M CB -0.702 31.960 32.600 0.103 0.000 1.258 69 M HN 0.683 nan 8.290 nan 0.000 0.457 70 N N 0.359 119.160 118.700 0.168 0.000 2.567 70 N HA -0.133 4.607 4.740 -0.000 0.000 0.195 70 N C 0.878 176.560 175.510 0.288 0.000 1.242 70 N CA 0.692 53.849 53.050 0.177 0.000 0.884 70 N CB -0.946 37.648 38.487 0.178 0.000 1.007 70 N HN 0.639 nan 8.380 nan 0.000 0.450 71 F N 0.187 120.219 119.950 0.137 0.000 2.453 71 F HA 0.256 4.783 4.527 -0.000 0.000 0.284 71 F C 1.503 177.404 175.800 0.168 0.000 1.065 71 F CA -0.174 57.955 58.000 0.215 0.000 1.411 71 F CB 0.058 39.123 39.000 0.110 0.000 1.131 71 F HN -0.115 nan 8.300 nan 0.000 0.582 72 L N 1.602 123.001 121.223 0.292 0.000 2.651 72 L HA -0.167 4.173 4.340 -0.000 0.000 0.236 72 L C 1.996 178.799 176.870 -0.111 0.000 1.173 72 L CA 1.148 56.044 54.840 0.093 0.000 0.843 72 L CB -1.558 40.575 42.059 0.124 0.000 0.964 72 L HN 0.424 nan 8.230 nan 0.000 0.454 73 Q N -0.848 118.832 119.800 -0.200 0.000 2.172 73 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 73 Q C 1.297 176.950 176.000 -0.578 0.000 0.964 73 Q CA 1.371 56.925 55.803 -0.416 0.000 0.855 73 Q CB -0.134 28.252 28.738 -0.588 0.000 0.918 73 Q HN 0.630 nan 8.270 nan 0.000 0.444 74 Y N -0.917 119.203 120.300 -0.300 0.000 2.584 74 Y HA 0.480 5.030 4.550 -0.000 0.000 0.254 74 Y C 1.053 176.680 175.900 -0.455 0.000 1.177 74 Y CA -0.523 57.387 58.100 -0.317 0.000 1.216 74 Y CB 0.528 38.806 38.460 -0.302 0.000 1.172 74 Y HN -0.121 nan 8.280 nan 0.000 0.529 75 G N 0.340 108.900 108.800 -0.400 0.000 2.379 75 G HA2 0.280 4.240 3.960 -0.000 0.000 0.327 75 G HA3 0.280 4.240 3.960 -0.000 0.000 0.327 75 G C -0.113 174.760 174.900 -0.045 0.000 1.145 75 G CA -0.512 44.333 45.100 -0.425 0.000 0.905 75 G HN 0.053 nan 8.290 nan 0.000 0.466 76 N N 0.738 119.472 118.700 0.056 0.000 2.324 76 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 76 N C 0.081 175.665 175.510 0.124 0.000 1.046 76 N CA 0.580 53.675 53.050 0.076 0.000 0.898 76 N CB 0.065 38.591 38.487 0.065 0.000 1.079 76 N HN 0.697 nan 8.380 nan 0.000 0.456 77 D N 0.261 120.758 120.400 0.162 0.000 2.481 77 D HA 0.438 5.078 4.640 -0.000 0.000 0.244 77 D C -1.063 175.317 176.300 0.134 0.000 1.057 77 D CA -0.596 53.481 54.000 0.129 0.000 0.848 77 D CB 2.166 43.016 40.800 0.083 0.000 1.388 77 D HN 0.016 nan 8.370 nan 0.000 0.475 78 L N 1.623 122.869 121.223 0.038 0.000 2.410 78 L HA 0.527 4.866 4.340 -0.000 0.000 0.270 78 L C -1.104 175.705 176.870 -0.101 0.000 0.983 78 L CA -0.456 54.314 54.840 -0.116 0.000 0.822 78 L CB 1.652 43.585 42.059 -0.209 0.000 1.285 78 L HN 0.320 nan 8.230 nan 0.000 0.409 79 R N 4.827 125.262 120.500 -0.107 0.000 2.338 79 R HA 0.689 5.029 4.340 -0.000 0.000 0.317 79 R C -0.709 175.580 176.300 -0.019 0.000 0.968 79 R CA -0.603 55.498 56.100 0.001 0.000 0.849 79 R CB 1.608 32.001 30.300 0.156 0.000 1.128 79 R HN 0.554 nan 8.270 nan 0.000 0.448 80 V N -0.336 119.535 119.914 -0.071 0.000 3.019 80 V HA 0.792 4.912 4.120 -0.000 0.000 0.317 80 V C -0.580 175.436 176.094 -0.129 0.000 1.094 80 V CA -0.761 61.441 62.300 -0.163 0.000 1.000 80 V CB 2.579 34.108 31.823 -0.490 0.000 1.060 80 V HN 0.354 nan 8.190 nan 0.000 0.443 81 V N 3.115 122.898 119.914 -0.218 0.000 2.567 81 V HA 0.493 4.613 4.120 -0.000 0.000 0.298 81 V C -0.063 175.775 176.094 -0.426 0.000 1.047 81 V CA -0.566 61.516 62.300 -0.364 0.000 0.880 81 V CB 1.485 32.984 31.823 -0.540 0.000 1.009 81 V HN 1.075 nan 8.190 nan 0.000 0.429 82 R N 3.511 123.814 120.500 -0.329 0.000 2.347 82 R HA 0.605 4.944 4.340 -0.000 0.000 0.304 82 R C 0.117 175.965 176.300 -0.754 0.000 1.072 82 R CA -0.044 55.858 56.100 -0.330 0.000 0.980 82 R CB 1.048 31.322 30.300 -0.044 0.000 0.986 82 R HN 0.841 nan 8.270 nan 0.000 0.448 83 A N 5.002 127.372 122.820 -0.750 0.000 2.302 83 A HA 0.363 4.683 4.320 -0.000 0.000 0.295 83 A C -0.503 176.772 177.584 -0.515 0.000 1.235 83 A CA -0.515 51.059 52.037 -0.771 0.000 0.876 83 A CB 0.996 19.666 19.000 -0.550 0.000 1.133 83 A HN 0.527 nan 8.150 nan 0.000 0.533 84 V N 2.387 122.036 119.914 -0.441 0.000 2.881 84 V HA 0.287 4.407 4.120 -0.000 0.000 0.316 84 V C -0.219 175.903 176.094 0.046 0.000 1.070 84 V CA -0.569 61.654 62.300 -0.129 0.000 0.976 84 V CB 2.180 33.974 31.823 -0.048 0.000 1.038 84 V HN 1.039 nan 8.190 nan 0.000 0.446 85 D N 1.693 122.109 120.400 0.025 0.000 2.308 85 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 85 D C 0.905 177.245 176.300 0.067 0.000 1.127 85 D CA -0.043 53.986 54.000 0.049 0.000 0.876 85 D CB 1.032 41.841 40.800 0.016 0.000 1.176 85 D HN 0.377 nan 8.370 nan 0.000 0.446 86 R N 1.965 122.509 120.500 0.073 0.000 2.200 86 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 86 R C 0.649 176.947 176.300 -0.003 0.000 1.033 86 R CA 0.602 56.721 56.100 0.033 0.000 1.000 86 R CB 0.330 30.611 30.300 -0.030 0.000 0.906 86 R HN 0.560 nan 8.270 nan 0.000 0.462 87 D N -1.025 119.376 120.400 0.001 0.000 2.289 87 D HA -0.048 4.592 4.640 -0.000 0.000 0.207 87 D C 1.040 177.335 176.300 -0.008 0.000 0.966 87 D CA 1.370 55.365 54.000 -0.008 0.000 0.868 87 D CB 0.665 41.462 40.800 -0.004 0.000 0.943 87 D HN 0.314 nan 8.370 nan 0.000 0.514 88 T N -3.001 111.551 114.554 -0.004 0.000 3.328 88 T HA 0.495 4.845 4.350 -0.000 0.000 0.305 88 T C 0.366 175.062 174.700 -0.006 0.000 0.939 88 T CA -0.505 61.592 62.100 -0.005 0.000 0.950 88 T CB 0.398 69.266 68.868 -0.002 0.000 1.182 88 T HN 0.028 nan 8.240 nan 0.000 0.545 89 A N 1.808 124.623 122.820 -0.007 0.000 2.322 89 A HA 0.766 5.086 4.320 -0.000 0.000 0.269 89 A C -0.198 177.371 177.584 -0.024 0.000 1.094 89 A CA -0.433 51.597 52.037 -0.012 0.000 0.807 89 A CB 0.551 19.544 19.000 -0.012 0.000 1.047 89 A HN 0.251 nan 8.150 nan 0.000 0.487 90 K N 1.326 121.714 120.400 -0.021 0.000 2.501 90 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 90 K C -1.539 175.045 176.600 -0.026 0.000 0.934 90 K CA -0.492 55.778 56.287 -0.029 0.000 0.797 90 K CB 1.769 34.263 32.500 -0.011 0.000 1.270 90 K HN 0.759 nan 8.250 nan 0.000 0.431 91 N N 0.347 119.011 118.700 -0.060 0.000 2.444 91 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 91 N C -0.594 174.911 175.510 -0.008 0.000 1.069 91 N CA -0.050 52.968 53.050 -0.054 0.000 0.965 91 N CB 0.814 39.225 38.487 -0.126 0.000 1.092 91 N HN 0.341 nan 8.380 nan 0.000 0.476 92 S N 0.945 116.674 115.700 0.048 0.000 2.554 92 S HA 0.202 4.672 4.470 -0.000 0.000 0.290 92 S C 0.370 174.996 174.600 0.043 0.000 1.309 92 S CA -0.374 57.862 58.200 0.060 0.000 1.047 92 S CB 0.164 63.422 63.200 0.098 0.000 0.828 92 S HN 0.690 nan 8.310 nan 0.000 0.509 93 S N 0.961 116.689 115.700 0.047 0.000 2.656 93 S HA 0.620 5.090 4.470 -0.000 0.000 0.273 93 S C -3.013 171.610 174.600 0.039 0.000 1.168 93 S CA -1.356 56.881 58.200 0.062 0.000 0.817 93 S CB 1.511 64.784 63.200 0.122 0.000 1.146 93 S HN 0.327 nan 8.310 nan 0.000 0.475 94 P HA 0.351 nan 4.420 nan 0.000 0.245 94 P C 1.071 178.341 177.300 -0.050 0.000 1.203 94 P CA 0.028 63.113 63.100 -0.024 0.000 0.792 94 P CB -0.125 31.523 31.700 -0.087 0.000 0.997 95 I N 0.375 120.923 120.570 -0.037 0.000 2.315 95 I HA -0.124 4.045 4.170 -0.000 0.000 0.248 95 I C 1.943 177.983 176.117 -0.128 0.000 1.117 95 I CA 1.026 62.269 61.300 -0.095 0.000 1.404 95 I CB -0.734 37.256 38.000 -0.016 0.000 1.071 95 I HN -0.138 nan 8.210 nan 0.000 0.419 96 A N -0.105 122.683 122.820 -0.053 0.000 2.281 96 A HA 0.364 4.684 4.320 -0.000 0.000 0.231 96 A C 1.838 179.388 177.584 -0.056 0.000 1.317 96 A CA 0.885 52.894 52.037 -0.048 0.000 0.959 96 A CB -1.211 17.786 19.000 -0.005 0.000 0.900 96 A HN 0.452 nan 8.150 nan 0.000 0.497 97 G N -1.128 107.618 108.800 -0.090 0.000 2.692 97 G HA2 0.050 4.010 3.960 -0.000 0.000 0.201 97 G HA3 0.050 4.010 3.960 -0.000 0.000 0.201 97 G C 0.622 175.448 174.900 -0.124 0.000 1.063 97 G CA -0.250 44.808 45.100 -0.070 0.000 0.790 97 G HN 0.393 nan 8.290 nan 0.000 0.599 98 N N 0.210 118.767 118.700 -0.239 0.000 2.202 98 N HA 0.071 4.811 4.740 -0.000 0.000 0.228 98 N C -0.481 174.891 175.510 -0.231 0.000 1.340 98 N CA 0.397 53.239 53.050 -0.345 0.000 0.865 98 N CB 0.732 38.626 38.487 -0.989 0.000 1.062 98 N HN 0.266 nan 8.380 nan 0.000 0.452 99 I N -0.083 120.414 120.570 -0.121 0.000 2.512 99 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 99 I C -0.393 175.842 176.117 0.197 0.000 1.069 99 I CA -0.664 60.640 61.300 0.006 0.000 1.056 99 I CB 1.171 39.178 38.000 0.012 0.000 1.229 99 I HN 0.286 nan 8.210 nan 0.000 0.429 100 E N 6.859 127.124 120.200 0.108 0.000 2.696 100 E HA -0.049 4.301 4.350 -0.000 0.000 0.270 100 E C -1.501 175.238 176.600 0.232 0.000 0.958 100 E CA 1.158 57.637 56.400 0.131 0.000 0.964 100 E CB 0.267 29.988 29.700 0.034 0.000 0.948 100 E HN 0.577 nan 8.360 nan 0.000 0.472 101 Y N -2.165 118.182 120.300 0.079 0.000 2.521 101 Y HA 0.387 4.937 4.550 -0.000 0.000 0.326 101 Y C -1.461 174.433 175.900 -0.010 0.000 1.176 101 Y CA -0.920 57.200 58.100 0.033 0.000 1.079 101 Y CB 1.014 39.502 38.460 0.046 0.000 1.341 101 Y HN 0.192 nan 8.280 nan 0.000 0.456 102 T N 4.767 119.391 114.554 0.116 0.000 2.949 102 T HA 0.419 4.769 4.350 -0.000 0.000 0.300 102 T C -0.400 174.359 174.700 0.098 0.000 0.988 102 T CA -0.568 61.535 62.100 0.005 0.000 0.993 102 T CB 1.159 70.010 68.868 -0.029 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.068 123.697 120.570 0.099 0.000 2.624 103 I HA -0.014 4.156 4.170 -0.000 0.000 0.307 103 I C 1.594 177.727 176.117 0.027 0.000 1.191 103 I CA 0.005 61.346 61.300 0.069 0.000 1.708 103 I CB -0.166 37.865 38.000 0.053 0.000 1.521 103 I HN 0.701 nan 8.210 nan 0.000 0.805 104 S N 2.750 118.468 115.700 0.030 0.000 2.387 104 S HA -0.117 4.352 4.470 -0.000 0.000 0.230 104 S C 0.885 175.494 174.600 0.017 0.000 1.035 104 S CA 1.386 59.598 58.200 0.021 0.000 1.014 104 S CB -0.028 63.188 63.200 0.026 0.000 0.836 104 S HN 0.675 nan 8.310 nan 0.000 0.466 105 T N 2.491 117.054 114.554 0.016 0.000 3.066 105 T HA 0.352 4.702 4.350 -0.000 0.000 0.318 105 T C -3.040 171.667 174.700 0.012 0.000 0.979 105 T CA -1.205 60.907 62.100 0.019 0.000 1.025 105 T CB 1.899 70.784 68.868 0.029 0.000 1.002 105 T HN -0.111 nan 8.240 nan 0.000 0.453 106 P HA 0.230 nan 4.420 nan 0.000 0.264 106 P C 0.760 178.091 177.300 0.052 0.000 1.193 106 P CA 0.124 63.227 63.100 0.005 0.000 0.763 106 P CB 0.508 32.218 31.700 0.018 0.000 0.810 107 G N 2.277 111.119 108.800 0.071 0.000 2.468 107 G HA2 0.443 4.403 3.960 -0.000 0.000 0.264 107 G HA3 0.443 4.403 3.960 -0.000 0.000 0.264 107 G C -0.347 174.723 174.900 0.282 0.000 1.460 107 G CA -0.131 45.163 45.100 0.324 0.000 1.060 107 G HN 0.626 nan 8.290 nan 0.000 0.543 108 S N -2.587 113.291 115.700 0.296 0.000 2.618 108 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 108 S C 0.082 174.711 174.600 0.047 0.000 1.138 108 S CA -0.237 58.051 58.200 0.146 0.000 0.844 108 S CB 1.813 65.051 63.200 0.063 0.000 1.127 108 S HN 0.700 nan 8.310 nan 0.000 0.474 109 N N -0.490 118.225 118.700 0.025 0.000 2.681 109 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 109 N C -0.849 174.596 175.510 -0.108 0.000 1.133 109 N CA 1.178 54.199 53.050 -0.049 0.000 0.732 109 N CB -1.725 36.702 38.487 -0.100 0.000 1.107 109 N HN 0.705 nan 8.380 nan 0.000 0.559 110 Y N 0.091 120.395 120.300 0.007 0.000 2.289 110 Y HA 0.552 5.102 4.550 -0.000 0.000 0.332 110 Y C 1.171 177.075 175.900 0.007 0.000 1.324 110 Y CA 0.382 58.485 58.100 0.006 0.000 1.478 110 Y CB 0.732 39.196 38.460 0.006 0.000 1.378 110 Y HN 0.153 nan 8.280 nan 0.000 0.558 111 A N -0.433 122.504 122.820 0.195 0.000 2.507 111 A HA 0.557 4.877 4.320 -0.000 0.000 0.284 111 A C 0.139 177.778 177.584 0.091 0.000 1.281 111 A CA -0.521 51.579 52.037 0.105 0.000 0.744 111 A CB 0.306 19.343 19.000 0.063 0.000 1.332 111 A HN 0.468 nan 8.150 nan 0.000 0.454 112 V N -0.090 119.859 119.914 0.059 0.000 2.871 112 V HA 0.137 4.257 4.120 -0.000 0.000 0.256 112 V C 1.569 177.684 176.094 0.034 0.000 1.082 112 V CA 1.984 64.310 62.300 0.044 0.000 1.105 112 V CB 0.039 31.884 31.823 0.037 0.000 0.713 112 V HN 1.082 nan 8.190 nan 0.000 0.473 113 G N -0.598 108.222 108.800 0.034 0.000 4.432 113 G HA2 0.184 4.144 3.960 -0.000 0.000 0.294 113 G HA3 0.184 4.144 3.960 -0.000 0.000 0.294 113 G C -0.539 174.378 174.900 0.029 0.000 1.141 113 G CA -0.335 44.779 45.100 0.023 0.000 0.895 113 G HN 0.263 nan 8.290 nan 0.000 0.548 114 D N 1.589 122.016 120.400 0.045 0.000 2.351 114 D HA 0.204 4.844 4.640 -0.000 0.000 0.251 114 D C 0.450 176.772 176.300 0.037 0.000 1.137 114 D CA 0.389 54.425 54.000 0.060 0.000 0.879 114 D CB 1.490 42.363 40.800 0.123 0.000 1.181 114 D HN 0.142 nan 8.370 nan 0.000 0.448 115 K N 2.005 122.424 120.400 0.030 0.000 2.185 115 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 115 K C 0.177 176.785 176.600 0.012 0.000 1.013 115 K CA -0.473 55.822 56.287 0.014 0.000 0.943 115 K CB 1.398 33.905 32.500 0.012 0.000 0.998 115 K HN 0.342 nan 8.250 nan 0.000 0.468 116 I N 0.818 121.385 120.570 -0.005 0.000 2.603 116 I HA 0.262 4.432 4.170 -0.000 0.000 0.300 116 I C -0.284 175.836 176.117 0.004 0.000 1.017 116 I CA -0.736 60.559 61.300 -0.010 0.000 1.098 116 I CB 2.334 40.306 38.000 -0.046 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.073 118.638 114.554 0.018 0.000 2.879 117 T HA 0.417 4.767 4.350 -0.000 0.000 0.290 117 T C -0.562 174.171 174.700 0.055 0.000 0.993 117 T CA -0.446 61.675 62.100 0.035 0.000 0.975 117 T CB 1.838 70.727 68.868 0.035 0.000 0.981 117 T HN 0.184 nan 8.240 nan 0.000 0.439 118 V N 4.586 124.549 119.914 0.081 0.000 2.370 118 V HA 0.445 4.565 4.120 -0.000 0.000 0.279 118 V C 0.084 176.273 176.094 0.159 0.000 1.029 118 V CA -0.768 61.613 62.300 0.135 0.000 0.870 118 V CB 0.998 32.922 31.823 0.168 0.000 0.984 118 V HN 0.712 nan 8.190 nan 0.000 0.451 119 K N 3.540 124.026 120.400 0.144 0.000 2.156 119 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 119 K C -1.325 175.318 176.600 0.070 0.000 0.950 119 K CA -0.883 55.461 56.287 0.095 0.000 0.849 119 K CB 2.044 34.569 32.500 0.043 0.000 1.100 119 K HN 0.579 nan 8.250 nan 0.000 0.434 120 Y N 2.570 122.727 120.300 -0.238 0.000 2.491 120 Y HA 0.164 4.714 4.550 -0.000 0.000 0.334 120 Y C -0.538 175.150 175.900 -0.353 0.000 0.969 120 Y CA -1.534 56.227 58.100 -0.565 0.000 1.241 120 Y CB -0.087 37.890 38.460 -0.804 0.000 1.105 120 Y HN 0.398 nan 8.280 nan 0.000 0.503 121 V N 4.705 124.446 119.914 -0.287 0.000 5.981 121 V HA -0.294 3.826 4.120 -0.000 0.000 0.233 121 V C 0.836 176.811 176.094 -0.198 0.000 0.653 121 V CA 1.188 63.310 62.300 -0.295 0.000 0.677 121 V CB -2.459 29.068 31.823 -0.493 0.000 0.632 121 V HN 0.954 nan 8.190 nan 0.000 0.464 122 S N -0.235 115.401 115.700 -0.106 0.000 3.521 122 S HA -0.207 4.263 4.470 -0.000 0.000 0.362 122 S C 0.124 174.683 174.600 -0.069 0.000 1.044 122 S CA 1.507 59.666 58.200 -0.068 0.000 1.091 122 S CB -0.599 62.563 63.200 -0.063 0.000 0.908 122 S HN 1.057 nan 8.310 nan 0.000 0.473 123 D N 0.868 121.226 120.400 -0.070 0.000 2.863 123 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 123 D C -1.100 175.201 176.300 0.002 0.000 1.211 123 D CA -0.564 53.407 54.000 -0.049 0.000 0.888 123 D CB 1.296 42.040 40.800 -0.094 0.000 1.483 123 D HN -0.044 nan 8.370 nan 0.000 0.533 124 D N 3.518 123.929 120.400 0.017 0.000 2.417 124 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 124 D C 1.183 177.524 176.300 0.068 0.000 1.166 124 D CA -0.105 53.921 54.000 0.043 0.000 0.881 124 D CB 1.252 42.072 40.800 0.032 0.000 1.164 124 D HN 0.312 nan 8.370 nan 0.000 0.467 125 I N 0.620 121.252 120.570 0.104 0.000 3.345 125 I HA 0.099 4.268 4.170 -0.000 0.000 0.258 125 I C 0.672 176.852 176.117 0.106 0.000 1.134 125 I CA 0.361 61.742 61.300 0.134 0.000 1.457 125 I CB -0.309 37.833 38.000 0.236 0.000 1.425 125 I HN 0.266 nan 8.210 nan 0.000 0.461 126 E N 1.439 121.702 120.200 0.105 0.000 2.222 126 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 126 E C -0.076 176.554 176.600 0.050 0.000 0.884 126 E CA -0.165 56.276 56.400 0.069 0.000 0.764 126 E CB 1.427 31.168 29.700 0.067 0.000 1.169 126 E HN 0.220 nan 8.360 nan 0.000 0.413 127 T N 0.855 115.427 114.554 0.030 0.000 3.399 127 T HA 0.302 4.652 4.350 -0.000 0.000 0.305 127 T C -0.035 174.669 174.700 0.007 0.000 0.983 127 T CA -0.489 61.624 62.100 0.021 0.000 0.967 127 T CB 0.071 68.951 68.868 0.021 0.000 1.186 127 T HN 0.280 nan 8.240 nan 0.000 0.504 128 E N 1.163 121.363 120.200 -0.000 0.000 2.583 128 E HA 0.334 4.684 4.350 -0.000 0.000 0.213 128 E C 1.181 177.767 176.600 -0.023 0.000 0.989 128 E CA -0.183 56.209 56.400 -0.014 0.000 0.991 128 E CB 0.681 30.367 29.700 -0.023 0.000 1.040 128 E HN 0.699 nan 8.360 nan 0.000 0.481 129 G N 1.977 110.765 108.800 -0.020 0.000 2.699 129 G HA2 0.264 4.224 3.960 -0.000 0.000 0.246 129 G HA3 0.264 4.224 3.960 -0.000 0.000 0.246 129 G C -0.181 174.700 174.900 -0.032 0.000 1.219 129 G CA -0.166 44.913 45.100 -0.034 0.000 0.866 129 G HN 0.090 nan 8.290 nan 0.000 0.572 130 K N 0.162 120.536 120.400 -0.043 0.000 2.584 130 K HA 0.243 4.563 4.320 -0.000 0.000 0.260 130 K C -0.787 175.789 176.600 -0.040 0.000 0.949 130 K CA -0.950 55.319 56.287 -0.030 0.000 0.888 130 K CB 0.881 33.373 32.500 -0.013 0.000 1.330 130 K HN 0.356 nan 8.250 nan 0.000 0.432 131 I N 2.571 123.115 120.570 -0.043 0.000 2.948 131 I HA -0.159 4.011 4.170 -0.000 0.000 0.303 131 I C 1.045 177.156 176.117 -0.010 0.000 1.224 131 I CA 1.007 62.279 61.300 -0.047 0.000 1.442 131 I CB 0.509 38.486 38.000 -0.039 0.000 1.328 131 I HN 1.023 nan 8.210 nan 0.000 0.578 132 T N 0.458 115.011 114.554 -0.002 0.000 3.041 132 T HA 0.229 4.578 4.350 -0.000 0.000 0.276 132 T C 0.111 174.830 174.700 0.031 0.000 0.948 132 T CA -0.402 61.714 62.100 0.025 0.000 0.885 132 T CB 0.301 69.197 68.868 0.046 0.000 1.175 132 T HN 0.678 nan 8.240 nan 0.000 0.529 133 E N 1.373 121.586 120.200 0.021 0.000 2.313 133 E HA 0.493 4.843 4.350 -0.000 0.000 0.280 133 E C -1.186 175.427 176.600 0.021 0.000 0.898 133 E CA -0.724 55.692 56.400 0.026 0.000 0.803 133 E CB 2.402 32.118 29.700 0.026 0.000 1.286 133 E HN 0.280 nan 8.360 nan 0.000 0.401 134 V N 0.791 120.724 119.914 0.031 0.000 3.103 134 V HA 0.650 4.770 4.120 -0.000 0.000 0.318 134 V C 0.029 176.144 176.094 0.036 0.000 1.114 134 V CA -0.677 61.646 62.300 0.038 0.000 1.020 134 V CB 1.645 33.505 31.823 0.062 0.000 1.085 134 V HN 0.756 nan 8.190 nan 0.000 0.446 135 D N 1.311 121.734 120.400 0.038 0.000 2.481 135 D HA 0.523 5.163 4.640 -0.000 0.000 0.283 135 D C 1.172 177.492 176.300 0.034 0.000 1.192 135 D CA 0.140 54.159 54.000 0.032 0.000 1.100 135 D CB 0.545 41.362 40.800 0.027 0.000 1.166 135 D HN 0.752 nan 8.370 nan 0.000 0.584 136 A N -0.919 121.918 122.820 0.029 0.000 2.067 136 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 136 A C 1.105 178.706 177.584 0.028 0.000 1.156 136 A CA 1.149 53.201 52.037 0.026 0.000 0.683 136 A CB -0.419 18.593 19.000 0.020 0.000 0.808 136 A HN 0.436 nan 8.150 nan 0.000 0.455 137 D N -1.530 118.891 120.400 0.034 0.000 2.369 137 D HA 0.280 4.920 4.640 -0.000 0.000 0.211 137 D C 1.299 177.631 176.300 0.054 0.000 1.077 137 D CA 0.962 54.984 54.000 0.036 0.000 0.842 137 D CB 0.290 41.111 40.800 0.035 0.000 0.947 137 D HN 0.535 nan 8.370 nan 0.000 0.509 138 G N 1.306 110.147 108.800 0.069 0.000 2.157 138 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 138 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 138 G C 0.217 175.213 174.900 0.160 0.000 0.979 138 G CA -0.260 44.909 45.100 0.114 0.000 0.650 138 G HN 0.299 nan 8.290 nan 0.000 0.529 139 K N 0.690 121.153 120.400 0.105 0.000 2.447 139 K HA 0.305 4.625 4.320 -0.000 0.000 0.281 139 K C 1.047 177.676 176.600 0.048 0.000 1.031 139 K CA -0.030 56.309 56.287 0.085 0.000 1.019 139 K CB 0.549 33.081 32.500 0.053 0.000 0.918 139 K HN 0.380 nan 8.250 nan 0.000 0.476 140 I N 4.700 125.267 120.570 -0.004 0.000 2.505 140 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 140 I C 1.202 177.302 176.117 -0.027 0.000 1.104 140 I CA 0.148 61.408 61.300 -0.066 0.000 1.387 140 I CB 0.393 38.268 38.000 -0.208 0.000 1.404 140 I HN 0.527 nan 8.210 nan 0.000 0.528 141 K N 5.148 125.543 120.400 -0.008 0.000 2.313 141 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 141 K C 0.426 177.035 176.600 0.016 0.000 1.061 141 K CA 0.573 56.862 56.287 0.004 0.000 0.980 141 K CB 0.549 33.053 32.500 0.007 0.000 0.888 141 K HN 0.515 nan 8.250 nan 0.000 0.502 142 K N 0.976 121.386 120.400 0.016 0.000 2.542 142 K HA 0.327 4.647 4.320 -0.000 0.000 0.259 142 K C -1.281 175.318 176.600 -0.002 0.000 0.932 142 K CA -0.516 55.797 56.287 0.042 0.000 0.820 142 K CB 1.635 34.156 32.500 0.034 0.000 1.345 142 K HN 0.035 nan 8.250 nan 0.000 0.432 143 I N -0.367 120.176 120.570 -0.045 0.000 3.206 143 I HA 0.618 4.788 4.170 -0.000 0.000 0.313 143 I C -1.469 174.574 176.117 -0.124 0.000 1.103 143 I CA -0.890 60.317 61.300 -0.156 0.000 0.985 143 I CB 2.445 40.246 38.000 -0.332 0.000 1.240 143 I HN 0.561 nan 8.210 nan 0.000 0.464 144 N N 2.929 121.575 118.700 -0.091 0.000 2.571 144 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 144 N C -1.843 173.652 175.510 -0.024 0.000 1.138 144 N CA -0.358 52.701 53.050 0.015 0.000 0.859 144 N CB 1.910 40.471 38.487 0.123 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.932 124.487 120.570 -0.025 0.000 2.312 145 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 145 I C -2.087 174.032 176.117 0.003 0.000 1.008 145 I CA -2.006 59.278 61.300 -0.027 0.000 1.226 145 I CB 1.578 39.550 38.000 -0.045 0.000 1.371 145 I HN 0.207 nan 8.210 nan 0.000 0.468 146 P HA 0.101 nan 4.420 nan 0.000 0.271 146 P C 0.570 177.860 177.300 -0.017 0.000 1.216 146 P CA -0.178 62.906 63.100 -0.027 0.000 0.776 146 P CB 0.665 32.337 31.700 -0.048 0.000 0.881 147 T N -1.633 112.909 114.554 -0.020 0.000 3.044 147 T HA 0.310 4.660 4.350 -0.000 0.000 0.260 147 T C 1.518 176.208 174.700 -0.017 0.000 1.019 147 T CA 0.335 62.420 62.100 -0.025 0.000 0.921 147 T CB -0.306 68.539 68.868 -0.039 0.000 1.053 147 T HN 0.224 nan 8.240 nan 0.000 0.533 148 A N 3.193 126.005 122.820 -0.013 0.000 1.859 148 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 148 A C 2.347 179.930 177.584 -0.001 0.000 1.198 148 A CA 1.861 53.893 52.037 -0.009 0.000 0.629 148 A CB -0.619 18.373 19.000 -0.012 0.000 0.830 148 A HN 0.559 nan 8.150 nan 0.000 0.446 149 K N -0.296 120.111 120.400 0.011 0.000 2.057 149 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 149 K C 1.916 178.547 176.600 0.052 0.000 1.050 149 K CA 1.592 57.900 56.287 0.034 0.000 0.935 149 K CB -0.438 32.090 32.500 0.047 0.000 0.715 149 K HN 0.753 nan 8.250 nan 0.000 0.439 150 I N 0.493 121.084 120.570 0.035 0.000 2.233 150 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 150 I C 2.561 178.633 176.117 -0.075 0.000 1.093 150 I CA 1.093 62.400 61.300 0.011 0.000 1.380 150 I CB -0.931 37.029 38.000 -0.068 0.000 1.067 150 I HN 0.078 nan 8.210 nan 0.000 0.413 151 I N 1.181 121.719 120.570 -0.054 0.000 2.454 151 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 151 I C 2.680 178.774 176.117 -0.038 0.000 1.156 151 I CA 1.487 62.791 61.300 0.007 0.000 1.433 151 I CB -0.467 37.587 38.000 0.089 0.000 1.082 151 I HN 0.149 nan 8.210 nan 0.000 0.432 152 A N 2.010 124.815 122.820 -0.024 0.000 1.828 152 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 152 A C 2.362 179.962 177.584 0.026 0.000 1.203 152 A CA 2.325 54.350 52.037 -0.020 0.000 0.614 152 A CB -0.891 18.111 19.000 0.004 0.000 0.844 152 A HN 0.457 nan 8.150 nan 0.000 0.445 153 K N 0.063 120.520 120.400 0.094 0.000 2.127 153 K HA -0.150 4.169 4.320 -0.000 0.000 0.208 153 K C 1.910 178.626 176.600 0.193 0.000 1.047 153 K CA 2.021 58.414 56.287 0.175 0.000 0.927 153 K CB -0.591 32.084 32.500 0.290 0.000 0.716 153 K HN 0.400 nan 8.250 nan 0.000 0.450 154 A N 0.522 123.428 122.820 0.144 0.000 1.873 154 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 154 A C 2.012 179.665 177.584 0.115 0.000 1.186 154 A CA 1.790 53.897 52.037 0.116 0.000 0.616 154 A CB -0.470 18.447 19.000 -0.140 0.000 0.823 154 A HN 0.360 nan 8.150 nan 0.000 0.442 155 K N -0.442 119.966 120.400 0.014 0.000 2.063 155 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 155 K C 2.058 178.659 176.600 0.002 0.000 1.048 155 K CA 1.601 57.839 56.287 -0.082 0.000 0.928 155 K CB -0.139 32.195 32.500 -0.276 0.000 0.713 155 K HN 0.735 nan 8.250 nan 0.000 0.442 156 E N 1.053 121.272 120.200 0.031 0.000 2.333 156 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 156 E C 0.664 177.318 176.600 0.090 0.000 1.007 156 E CA 1.119 57.552 56.400 0.054 0.000 0.845 156 E CB 0.327 30.067 29.700 0.067 0.000 0.766 156 E HN 0.191 nan 8.360 nan 0.000 0.507 157 V N -3.623 116.366 119.914 0.124 0.000 2.925 157 V HA 0.524 4.644 4.120 -0.000 0.000 0.361 157 V C 0.842 177.028 176.094 0.152 0.000 1.361 157 V CA 0.016 62.409 62.300 0.156 0.000 1.184 157 V CB 0.049 32.015 31.823 0.239 0.000 1.245 157 V HN 0.198 nan 8.190 nan 0.000 0.575 158 G N 1.134 110.007 108.800 0.122 0.000 2.270 158 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 158 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 158 G C 0.309 175.291 174.900 0.138 0.000 0.982 158 G CA 0.792 45.963 45.100 0.117 0.000 0.628 158 G HN 0.710 nan 8.290 nan 0.000 0.544 159 E N -0.187 120.115 120.200 0.170 0.000 2.368 159 E HA 0.395 4.745 4.350 -0.000 0.000 0.283 159 E C -0.598 176.059 176.600 0.095 0.000 1.476 159 E CA -0.377 56.122 56.400 0.165 0.000 1.786 159 E CB 0.084 29.971 29.700 0.312 0.000 1.518 159 E HN 0.567 nan 8.360 nan 0.000 0.456 160 Y N 0.580 120.858 120.300 -0.037 0.000 2.373 160 Y HA 0.320 4.870 4.550 -0.000 0.000 0.336 160 Y C -2.265 173.599 175.900 -0.059 0.000 0.979 160 Y CA -2.223 55.825 58.100 -0.087 0.000 1.080 160 Y CB 1.809 40.223 38.460 -0.077 0.000 1.190 160 Y HN -0.003 nan 8.280 nan 0.000 0.446 161 P HA 0.109 nan 4.420 nan 0.000 0.266 161 P C 1.028 178.111 177.300 -0.362 0.000 1.381 161 P CA 0.442 63.081 63.100 -0.768 0.000 0.940 161 P CB 0.342 31.511 31.700 -0.885 0.000 1.435 162 T N -0.355 114.079 114.554 -0.201 0.000 2.493 162 T HA -0.262 4.088 4.350 -0.000 0.000 0.256 162 T C 1.259 175.888 174.700 -0.118 0.000 1.195 162 T CA 1.049 63.086 62.100 -0.106 0.000 1.183 162 T CB -1.130 67.726 68.868 -0.021 0.000 0.863 162 T HN 0.045 nan 8.240 nan 0.000 0.418 163 L N -0.273 120.881 121.223 -0.115 0.000 7.692 163 L HA -0.195 4.145 4.340 -0.000 0.000 0.063 163 L C 1.877 178.819 176.870 0.120 0.000 1.303 163 L CA 1.096 55.825 54.840 -0.186 0.000 1.475 163 L CB -1.741 40.029 42.059 -0.483 0.000 2.877 163 L HN 0.906 nan 8.230 nan 0.000 1.176 164 G N -1.546 107.354 108.800 0.167 0.000 3.329 164 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G C 0.903 175.956 174.900 0.255 0.000 1.358 164 G CA 1.488 46.701 45.100 0.189 0.000 0.856 164 G HN 0.845 nan 8.290 nan 0.000 0.551 165 S N 0.844 116.703 115.700 0.266 0.000 2.345 165 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 165 S C 1.844 176.539 174.600 0.159 0.000 1.031 165 S CA 1.818 60.125 58.200 0.179 0.000 0.984 165 S CB -0.251 63.038 63.200 0.147 0.000 0.874 165 S HN 0.630 nan 8.310 nan 0.000 0.451 166 N N -0.497 118.303 118.700 0.167 0.000 2.236 166 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 166 N C -1.040 174.453 175.510 -0.029 0.000 1.114 166 N CA 0.021 53.095 53.050 0.040 0.000 0.859 166 N CB 0.055 38.567 38.487 0.041 0.000 0.982 166 N HN 0.402 nan 8.380 nan 0.000 0.493 167 W N 2.206 123.593 121.300 0.145 0.000 2.338 167 W HA 0.368 5.027 4.660 -0.000 0.000 0.307 167 W C 0.560 177.125 176.519 0.077 0.000 1.167 167 W CA -0.364 57.042 57.345 0.103 0.000 1.208 167 W CB 0.972 30.447 29.460 0.025 0.000 1.228 167 W HN -0.165 nan 8.180 nan 0.000 0.499 168 T N 0.007 114.716 114.554 0.260 0.000 2.896 168 T HA 0.889 5.239 4.350 -0.000 0.000 0.297 168 T C -0.938 173.847 174.700 0.142 0.000 1.108 168 T CA -1.146 61.051 62.100 0.162 0.000 1.004 168 T CB 1.991 70.917 68.868 0.097 0.000 1.159 168 T HN 0.583 nan 8.240 nan 0.000 0.499 169 A N 1.760 124.639 122.820 0.099 0.000 2.381 169 A HA 0.771 5.091 4.320 -0.000 0.000 0.299 169 A C -0.376 177.235 177.584 0.045 0.000 1.049 169 A CA -0.885 51.194 52.037 0.069 0.000 0.715 169 A CB 1.069 20.100 19.000 0.051 0.000 1.222 169 A HN 1.069 nan 8.150 nan 0.000 0.428 170 E N 3.068 123.292 120.200 0.039 0.000 2.339 170 E HA 0.747 5.097 4.350 -0.000 0.000 0.262 170 E C -0.787 175.832 176.600 0.031 0.000 0.934 170 E CA -0.906 55.515 56.400 0.036 0.000 0.802 170 E CB 1.183 30.908 29.700 0.041 0.000 1.275 170 E HN 0.397 nan 8.360 nan 0.000 0.427 171 I N 0.582 121.182 120.570 0.049 0.000 3.223 171 I HA 0.165 4.335 4.170 -0.000 0.000 0.317 171 I C 0.997 177.155 176.117 0.068 0.000 1.050 171 I CA -0.762 60.578 61.300 0.066 0.000 1.069 171 I CB 1.192 39.282 38.000 0.149 0.000 1.406 171 I HN 0.602 nan 8.210 nan 0.000 0.596 172 S N 1.119 116.865 115.700 0.076 0.000 2.569 172 S HA 0.029 4.499 4.470 -0.000 0.000 0.274 172 S C 0.337 174.968 174.600 0.053 0.000 1.353 172 S CA -0.287 57.947 58.200 0.056 0.000 1.023 172 S CB 0.194 63.428 63.200 0.056 0.000 0.876 172 S HN 0.677 nan 8.310 nan 0.000 0.540 173 S N 2.192 117.912 115.700 0.034 0.000 2.217 173 S HA 0.590 5.060 4.470 -0.000 0.000 0.168 173 S C -0.464 174.145 174.600 0.014 0.000 1.526 173 S CA -0.544 57.671 58.200 0.025 0.000 1.150 173 S CB -0.183 63.029 63.200 0.021 0.000 1.158 173 S HN 0.731 nan 8.310 nan 0.000 0.473 174 S N 0.806 116.513 115.700 0.011 0.000 2.638 174 S HA 0.789 5.259 4.470 -0.000 0.000 0.274 174 S C -0.091 174.516 174.600 0.012 0.000 1.157 174 S CA -0.587 57.624 58.200 0.018 0.000 0.826 174 S CB 0.844 64.048 63.200 0.006 0.000 1.139 174 S HN 0.991 nan 8.310 nan 0.000 0.474 175 S N 0.898 116.616 115.700 0.029 0.000 2.606 175 S HA 0.278 4.748 4.470 -0.000 0.000 0.257 175 S C 1.167 175.728 174.600 -0.065 0.000 1.327 175 S CA 0.157 58.366 58.200 0.015 0.000 0.984 175 S CB 0.010 63.272 63.200 0.103 0.000 0.941 175 S HN 0.790 nan 8.310 nan 0.000 0.576 176 S N 1.018 116.676 115.700 -0.070 0.000 2.365 176 S HA 0.102 4.571 4.470 -0.000 0.000 0.225 176 S C 1.169 175.654 174.600 -0.191 0.000 1.039 176 S CA 1.117 59.258 58.200 -0.098 0.000 1.033 176 S CB -1.005 62.155 63.200 -0.067 0.000 0.887 176 S HN 1.074 nan 8.310 nan 0.000 0.447 177 G N 0.359 108.940 108.800 -0.365 0.000 2.509 177 G HA2 0.679 4.638 3.960 -0.000 0.000 0.328 177 G HA3 0.679 4.638 3.960 -0.000 0.000 0.328 177 G C -0.387 173.908 174.900 -1.009 0.000 1.194 177 G CA -0.909 43.840 45.100 -0.584 0.000 0.967 177 G HN 0.360 nan 8.290 nan 0.000 0.488 178 L N -2.147 118.682 121.223 -0.656 0.000 2.422 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.263 178 L C 1.333 178.248 176.870 0.076 0.000 1.110 178 L CA -0.312 54.346 54.840 -0.303 0.000 1.065 178 L CB 1.091 43.069 42.059 -0.134 0.000 1.701 178 L HN 1.551 nan 8.230 nan 0.000 0.548 179 A N -1.127 121.780 122.820 0.146 0.000 3.661 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.269 179 A C 0.739 178.433 177.584 0.184 0.000 1.056 179 A CA 0.892 53.027 52.037 0.163 0.000 1.159 179 A CB -2.575 16.497 19.000 0.120 0.000 1.105 179 A HN 1.790 nan 8.150 nan 0.000 0.907 180 A N -0.875 122.101 122.820 0.259 0.000 2.287 180 A HA 0.652 4.972 4.320 -0.000 0.000 0.273 180 A C 0.185 177.789 177.584 0.032 0.000 1.091 180 A CA 0.499 52.576 52.037 0.066 0.000 0.817 180 A CB 0.963 19.822 19.000 -0.235 0.000 1.069 180 A HN 1.444 nan 8.150 nan 0.000 0.492 181 V N 2.403 122.315 119.914 -0.004 0.000 2.568 181 V HA 0.242 4.362 4.120 -0.000 0.000 0.276 181 V C -0.754 175.346 176.094 0.010 0.000 1.002 181 V CA 0.055 62.363 62.300 0.014 0.000 0.879 181 V CB 0.753 32.593 31.823 0.028 0.000 1.040 181 V HN 0.699 nan 8.190 nan 0.000 0.457 182 I N 3.080 123.655 120.570 0.008 0.000 2.385 182 I HA 0.532 4.702 4.170 -0.000 0.000 0.294 182 I C 0.310 176.465 176.117 0.064 0.000 0.988 182 I CA -0.029 61.291 61.300 0.034 0.000 1.265 182 I CB 1.857 39.852 38.000 -0.010 0.000 1.388 182 I HN 0.415 nan 8.210 nan 0.000 0.480 183 T N 7.043 121.655 114.554 0.097 0.000 2.809 183 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 183 T C -0.235 174.537 174.700 0.120 0.000 0.992 183 T CA -0.500 61.656 62.100 0.093 0.000 0.957 183 T CB 0.929 69.839 68.868 0.069 0.000 0.942 183 T HN 0.278 nan 8.240 nan 0.000 0.439 184 L N 3.122 124.414 121.223 0.117 0.000 2.276 184 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 184 L C 1.163 178.082 176.870 0.083 0.000 1.061 184 L CA -0.411 54.501 54.840 0.120 0.000 0.807 184 L CB 1.018 43.154 42.059 0.129 0.000 1.177 184 L HN 0.778 nan 8.230 nan 0.000 0.429 185 G N 3.277 112.112 108.800 0.059 0.000 3.075 185 G HA2 0.398 4.358 3.960 -0.000 0.000 0.156 185 G HA3 0.398 4.358 3.960 -0.000 0.000 0.156 185 G C -0.441 174.431 174.900 -0.048 0.000 1.403 185 G CA -0.531 44.576 45.100 0.013 0.000 1.033 185 G HN 0.539 nan 8.290 nan 0.000 0.589 186 K N -0.489 119.865 120.400 -0.077 0.000 2.177 186 K HA 0.479 4.799 4.320 -0.000 0.000 0.238 186 K C -0.591 175.904 176.600 -0.175 0.000 1.015 186 K CA -0.843 55.350 56.287 -0.156 0.000 0.922 186 K CB 1.473 33.882 32.500 -0.152 0.000 1.127 186 K HN 0.064 nan 8.250 nan 0.000 0.469 187 I N 2.881 123.291 120.570 -0.267 0.000 2.436 187 I HA 0.062 4.231 4.170 -0.000 0.000 0.289 187 I C 0.501 176.489 176.117 -0.215 0.000 1.083 187 I CA -0.234 60.916 61.300 -0.251 0.000 1.372 187 I CB -0.424 37.373 38.000 -0.338 0.000 1.408 187 I HN 0.477 nan 8.210 nan 0.000 0.516 188 I N 6.214 126.691 120.570 -0.155 0.000 2.587 188 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 188 I C 1.233 177.284 176.117 -0.110 0.000 1.134 188 I CA 0.074 61.301 61.300 -0.122 0.000 1.410 188 I CB -0.006 37.924 38.000 -0.116 0.000 1.392 188 I HN 0.607 nan 8.210 nan 0.000 0.545 189 T N -0.489 114.008 114.554 -0.095 0.000 3.023 189 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 189 T C 0.419 175.101 174.700 -0.030 0.000 1.038 189 T CA -0.299 61.765 62.100 -0.061 0.000 0.962 189 T CB -0.056 68.768 68.868 -0.073 0.000 1.018 189 T HN 0.558 nan 8.240 nan 0.000 0.521 190 D N 2.728 123.111 120.400 -0.029 0.000 2.365 190 D HA 0.219 4.859 4.640 -0.000 0.000 0.237 190 D C 1.533 177.839 176.300 0.010 0.000 1.190 190 D CA -0.029 53.966 54.000 -0.009 0.000 0.867 190 D CB 1.431 42.227 40.800 -0.006 0.000 1.050 190 D HN 0.226 nan 8.370 nan 0.000 0.491 191 S N 2.995 118.704 115.700 0.016 0.000 2.420 191 S HA -0.105 4.365 4.470 -0.000 0.000 0.237 191 S C 1.689 176.345 174.600 0.093 0.000 1.023 191 S CA 1.022 59.247 58.200 0.042 0.000 0.991 191 S CB -0.555 62.659 63.200 0.023 0.000 0.792 191 S HN 0.931 nan 8.310 nan 0.000 0.488 192 G N 0.332 109.164 108.800 0.054 0.000 2.160 192 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.244 192 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.244 192 G C -0.325 174.553 174.900 -0.035 0.000 1.022 192 G CA 0.240 45.393 45.100 0.089 0.000 0.741 192 G HN 1.089 nan 8.290 nan 0.000 0.508 193 I N -0.770 119.702 120.570 -0.164 0.000 2.753 193 I HA 0.689 4.859 4.170 -0.000 0.000 0.291 193 I C -1.381 174.591 176.117 -0.242 0.000 1.425 193 I CA -1.159 59.920 61.300 -0.368 0.000 1.039 193 I CB 1.781 39.332 38.000 -0.749 0.000 1.349 193 I HN 0.254 nan 8.210 nan 0.000 0.430 194 L N 7.778 128.861 121.223 -0.234 0.000 2.439 194 L HA 0.620 4.960 4.340 -0.000 0.000 0.270 194 L C -1.750 174.997 176.870 -0.205 0.000 0.972 194 L CA -0.629 54.105 54.840 -0.177 0.000 0.836 194 L CB 1.464 43.456 42.059 -0.112 0.000 1.255 194 L HN 0.547 nan 8.230 nan 0.000 0.404 195 L N 5.195 126.282 121.223 -0.227 0.000 2.272 195 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 195 L C 0.373 177.141 176.870 -0.170 0.000 1.032 195 L CA -0.108 54.572 54.840 -0.266 0.000 0.810 195 L CB 1.383 43.197 42.059 -0.409 0.000 1.205 195 L HN 0.793 nan 8.230 nan 0.000 0.422 196 A N 3.226 125.973 122.820 -0.122 0.000 2.336 196 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 196 A C 0.323 177.896 177.584 -0.018 0.000 2.317 196 A CA -0.130 51.898 52.037 -0.014 0.000 1.564 196 A CB -0.069 18.959 19.000 0.048 0.000 1.096 196 A HN 0.612 nan 8.150 nan 0.000 0.441 197 E N -0.198 120.007 120.200 0.009 0.000 2.421 197 E HA 0.278 4.628 4.350 -0.000 0.000 0.253 197 E C 0.666 177.242 176.600 -0.039 0.000 1.277 197 E CA -0.147 56.270 56.400 0.028 0.000 0.968 197 E CB 0.383 30.120 29.700 0.063 0.000 1.040 197 E HN 0.328 nan 8.360 nan 0.000 0.512 198 I N 1.060 121.623 120.570 -0.012 0.000 3.854 198 I HA -0.080 4.090 4.170 -0.000 0.000 0.312 198 I C 1.758 177.873 176.117 -0.003 0.000 1.273 198 I CA 0.540 61.827 61.300 -0.023 0.000 1.298 198 I CB -0.984 37.026 38.000 0.017 0.000 1.071 198 I HN 0.592 nan 8.210 nan 0.000 0.428 199 E N 1.399 121.599 120.200 0.000 0.000 2.160 199 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 199 E C 0.768 177.360 176.600 -0.013 0.000 0.991 199 E CA 1.348 57.747 56.400 -0.002 0.000 0.810 199 E CB -0.412 29.282 29.700 -0.010 0.000 0.742 199 E HN 0.416 nan 8.360 nan 0.000 0.466 200 N N 0.981 119.660 118.700 -0.034 0.000 2.299 200 N HA 0.189 4.929 4.740 -0.000 0.000 0.187 200 N C 1.324 176.790 175.510 -0.073 0.000 1.099 200 N CA 0.758 53.778 53.050 -0.051 0.000 0.867 200 N CB 0.275 38.720 38.487 -0.071 0.000 0.974 200 N HN 0.289 nan 8.380 nan 0.000 0.477 201 A N 2.439 125.206 122.820 -0.088 0.000 2.714 201 A HA -0.326 3.994 4.320 -0.000 0.000 0.243 201 A C 1.769 179.289 177.584 -0.107 0.000 1.409 201 A CA 2.685 54.626 52.037 -0.160 0.000 1.062 201 A CB -1.102 17.905 19.000 0.012 0.000 0.547 201 A HN 0.480 nan 8.150 nan 0.000 0.459 202 E N 0.447 120.716 120.200 0.115 0.000 2.516 202 E HA 0.377 4.727 4.350 -0.000 0.000 0.199 202 E C 1.339 177.990 176.600 0.086 0.000 1.069 202 E CA 1.183 57.697 56.400 0.190 0.000 0.876 202 E CB -0.814 29.043 29.700 0.261 0.000 0.843 202 E HN 0.665 nan 8.360 nan 0.000 0.530 203 A N 0.908 123.747 122.820 0.031 0.000 2.066 203 A HA 0.277 4.597 4.320 -0.000 0.000 0.218 203 A C 2.324 179.901 177.584 -0.011 0.000 1.157 203 A CA 1.172 53.219 52.037 0.017 0.000 0.670 203 A CB -0.383 18.618 19.000 0.002 0.000 0.804 203 A HN 0.394 nan 8.150 nan 0.000 0.453 204 A N -1.191 121.592 122.820 -0.063 0.000 2.030 204 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 204 A C 1.899 179.400 177.584 -0.139 0.000 1.164 204 A CA 0.934 52.899 52.037 -0.119 0.000 0.697 204 A CB -0.282 18.601 19.000 -0.195 0.000 0.827 204 A HN 0.361 nan 8.150 nan 0.000 0.457 205 M N 0.229 119.788 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.102 176.545 176.300 0.238 0.000 1.092 205 M CA 1.045 56.380 55.300 0.058 0.000 1.087 205 M CB -0.872 31.826 32.600 0.164 0.000 1.453 205 M HN 0.226 nan 8.290 nan 0.000 0.509 206 T N 0.285 114.929 114.554 0.149 0.000 3.624 206 T HA 0.498 4.848 4.350 -0.000 0.000 0.244 206 T C -0.102 174.665 174.700 0.111 0.000 1.063 206 T CA -0.276 61.911 62.100 0.145 0.000 1.252 206 T CB 0.308 69.241 68.868 0.108 0.000 1.021 206 T HN 0.207 nan 8.240 nan 0.000 0.590 207 A N 1.322 124.228 122.820 0.143 0.000 2.292 207 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 207 A C 1.737 179.387 177.584 0.109 0.000 1.206 207 A CA -0.703 51.394 52.037 0.100 0.000 0.835 207 A CB 0.501 19.547 19.000 0.077 0.000 1.164 207 A HN 0.487 nan 8.150 nan 0.000 0.505 208 V N 0.621 120.571 119.914 0.061 0.000 2.277 208 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 208 V C 1.539 177.658 176.094 0.041 0.000 1.067 208 V CA 2.584 64.907 62.300 0.039 0.000 1.047 208 V CB -1.073 30.762 31.823 0.020 0.000 0.649 208 V HN 0.821 nan 8.190 nan 0.000 0.447 209 D N -0.495 119.940 120.400 0.057 0.000 2.104 209 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 209 D C 1.914 178.275 176.300 0.102 0.000 0.994 209 D CA 2.033 56.069 54.000 0.059 0.000 0.830 209 D CB -0.228 40.607 40.800 0.057 0.000 0.959 209 D HN 0.577 nan 8.370 nan 0.000 0.452 210 F N 2.181 122.122 119.950 -0.016 0.000 2.031 210 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 210 F C 2.483 178.274 175.800 -0.015 0.000 1.133 210 F CA 1.339 59.330 58.000 -0.016 0.000 1.188 210 F CB -0.502 38.486 39.000 -0.021 0.000 0.974 210 F HN -0.199 nan 8.300 nan 0.000 0.473 211 Q N 0.532 120.303 119.800 -0.048 0.000 2.308 211 Q HA -0.218 4.122 4.340 -0.000 0.000 0.209 211 Q C 2.339 178.240 176.000 -0.165 0.000 0.985 211 Q CA 1.301 57.009 55.803 -0.158 0.000 0.881 211 Q CB -0.898 27.835 28.738 -0.008 0.000 0.917 211 Q HN 0.584 nan 8.270 nan 0.000 0.443 212 A N 1.594 124.349 122.820 -0.108 0.000 1.858 212 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 212 A C 1.832 179.329 177.584 -0.145 0.000 1.190 212 A CA 1.629 53.604 52.037 -0.103 0.000 0.617 212 A CB -0.699 18.260 19.000 -0.068 0.000 0.827 212 A HN 0.476 nan 8.150 nan 0.000 0.443 213 N N -0.129 118.487 118.700 -0.141 0.000 2.309 213 N HA -0.027 4.713 4.740 -0.000 0.000 0.182 213 N C 1.579 177.030 175.510 -0.098 0.000 1.018 213 N CA 0.929 53.936 53.050 -0.071 0.000 0.876 213 N CB -0.235 38.294 38.487 0.070 0.000 0.972 213 N HN 0.431 nan 8.380 nan 0.000 0.434 214 L N 1.134 122.191 121.223 -0.276 0.000 2.191 214 L HA -0.156 4.184 4.340 -0.000 0.000 0.212 214 L C 2.138 178.893 176.870 -0.192 0.000 1.103 214 L CA 1.213 55.874 54.840 -0.298 0.000 0.769 214 L CB -0.177 41.628 42.059 -0.424 0.000 0.908 214 L HN 0.128 nan 8.230 nan 0.000 0.438 215 K N 0.032 120.334 120.400 -0.162 0.000 2.044 215 K HA -0.121 4.199 4.320 -0.000 0.000 0.204 215 K C 2.143 178.663 176.600 -0.134 0.000 1.045 215 K CA 0.700 56.913 56.287 -0.123 0.000 0.951 215 K CB -0.030 32.406 32.500 -0.107 0.000 0.738 215 K HN 0.037 nan 8.250 nan 0.000 0.443 216 K N 0.262 120.529 120.400 -0.222 0.000 2.074 216 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 216 K C 0.707 177.056 176.600 -0.419 0.000 1.048 216 K CA 1.637 57.676 56.287 -0.413 0.000 0.926 216 K CB 0.021 32.087 32.500 -0.722 0.000 0.713 216 K HN 0.170 nan 8.250 nan 0.000 0.444 217 Y N -0.177 120.127 120.300 0.006 0.000 2.658 217 Y HA 0.288 4.838 4.550 -0.000 0.000 0.276 217 Y C 0.675 176.579 175.900 0.008 0.000 1.167 217 Y CA -0.161 57.977 58.100 0.064 0.000 1.230 217 Y CB 0.697 39.187 38.460 0.050 0.000 1.144 217 Y HN 0.187 nan 8.280 nan 0.000 0.529 218 G N 2.299 111.126 108.800 0.045 0.000 2.396 218 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.288 218 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.288 218 G C 0.040 174.863 174.900 -0.128 0.000 0.926 218 G CA 0.990 46.088 45.100 -0.004 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.358 117.036 120.570 -0.293 0.000 3.145 219 I HA 0.817 4.987 4.170 -0.000 0.000 0.313 219 I C -2.671 172.997 176.117 -0.748 0.000 1.122 219 I CA -3.539 57.377 61.300 -0.642 0.000 0.987 219 I CB 2.173 39.863 38.000 -0.516 0.000 1.236 219 I HN -0.103 nan 8.210 nan 0.000 0.453 220 P HA 0.256 nan 4.420 nan 0.000 0.278 220 P C -0.066 176.869 177.300 -0.609 0.000 1.266 220 P CA -0.331 62.125 63.100 -1.073 0.000 0.807 220 P CB 0.745 31.262 31.700 -1.971 0.000 1.094 221 G N 0.225 108.818 108.800 -0.346 0.000 3.209 221 G HA2 0.392 4.352 3.960 -0.000 0.000 0.274 221 G HA3 0.392 4.352 3.960 -0.000 0.000 0.274 221 G C -0.681 174.199 174.900 -0.034 0.000 0.850 221 G CA -0.146 44.898 45.100 -0.094 0.000 1.907 221 G HN 0.289 nan 8.290 nan 0.000 0.591 222 V N 2.282 122.126 119.914 -0.118 0.000 2.378 222 V HA 0.574 4.694 4.120 -0.000 0.000 0.288 222 V C 0.167 176.248 176.094 -0.021 0.000 1.016 222 V CA -0.780 61.464 62.300 -0.094 0.000 0.840 222 V CB 1.200 32.930 31.823 -0.155 0.000 0.994 222 V HN 0.512 nan 8.190 nan 0.000 0.431 223 V N 2.034 121.944 119.914 -0.007 0.000 3.001 223 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 223 V C 0.312 176.401 176.094 -0.007 0.000 1.099 223 V CA -0.981 61.323 62.300 0.006 0.000 0.989 223 V CB 1.854 33.665 31.823 -0.019 0.000 1.040 223 V HN 1.043 nan 8.190 nan 0.000 0.434 224 A N 1.636 124.466 122.820 0.017 0.000 2.498 224 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 224 A C 0.811 178.336 177.584 -0.098 0.000 1.068 224 A CA 0.291 52.354 52.037 0.043 0.000 0.766 224 A CB 0.192 19.282 19.000 0.149 0.000 1.003 224 A HN 1.544 nan 8.150 nan 0.000 0.497 225 L N 1.572 122.672 121.223 -0.204 0.000 2.217 225 L HA 0.115 4.455 4.340 -0.000 0.000 0.211 225 L C -0.334 176.100 176.870 -0.726 0.000 1.107 225 L CA 1.495 56.034 54.840 -0.502 0.000 0.783 225 L CB -0.327 41.313 42.059 -0.698 0.000 0.919 225 L HN 0.619 nan 8.230 nan 0.000 0.442 226 Y N -0.341 119.624 120.300 -0.559 0.000 2.409 226 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 226 Y C -2.201 173.291 175.900 -0.680 0.000 0.973 226 Y CA -4.084 53.478 58.100 -0.896 0.000 1.064 226 Y CB 0.436 37.774 38.460 -1.870 0.000 1.207 226 Y HN -0.113 nan 8.280 nan 0.000 0.452 227 P HA 0.312 nan 4.420 nan 0.000 0.265 227 P C -0.124 177.163 177.300 -0.021 0.000 1.187 227 P CA 0.505 63.536 63.100 -0.116 0.000 0.766 227 P CB 0.591 32.235 31.700 -0.095 0.000 0.820 228 G N 2.079 110.951 108.800 0.120 0.000 2.306 228 G HA2 0.009 3.968 3.960 -0.000 0.000 0.340 228 G HA3 0.009 3.968 3.960 -0.000 0.000 0.340 228 G C 0.094 175.159 174.900 0.276 0.000 1.630 228 G CA -0.660 44.600 45.100 0.266 0.000 0.937 228 G HN 0.304 nan 8.290 nan 0.000 0.693 229 E N 0.753 121.057 120.200 0.174 0.000 2.401 229 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 229 E C 2.475 179.134 176.600 0.099 0.000 1.023 229 E CA 0.511 56.980 56.400 0.113 0.000 0.859 229 E CB 0.102 29.842 29.700 0.066 0.000 0.780 229 E HN 0.498 nan 8.360 nan 0.000 0.523 230 L N -0.031 121.262 121.223 0.117 0.000 2.362 230 L HA -0.045 4.295 4.340 -0.000 0.000 0.219 230 L C 2.116 178.938 176.870 -0.079 0.000 1.134 230 L CA 0.866 55.647 54.840 -0.099 0.000 0.807 230 L CB -0.260 41.546 42.059 -0.423 0.000 0.927 230 L HN 0.299 nan 8.230 nan 0.000 0.447 231 G N -1.152 107.788 108.800 0.233 0.000 2.572 231 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 231 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 231 G C 0.977 175.966 174.900 0.149 0.000 1.133 231 G CA 0.205 45.487 45.100 0.304 0.000 0.791 231 G HN 0.286 nan 8.290 nan 0.000 0.538 232 D N 0.670 121.129 120.400 0.098 0.000 2.309 232 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 232 D C 2.157 178.483 176.300 0.044 0.000 0.968 232 D CA 0.702 54.740 54.000 0.063 0.000 0.882 232 D CB 0.035 40.863 40.800 0.047 0.000 0.918 232 D HN 0.314 nan 8.370 nan 0.000 0.503 233 K N -0.186 120.231 120.400 0.029 0.000 2.459 233 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 233 K C 0.700 177.321 176.600 0.035 0.000 1.030 233 K CA 0.076 56.371 56.287 0.014 0.000 1.026 233 K CB 0.640 33.127 32.500 -0.022 0.000 0.809 233 K HN 0.150 nan 8.250 nan 0.000 0.504 234 I N 1.471 122.081 120.570 0.066 0.000 2.519 234 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 234 I C 0.138 176.295 176.117 0.065 0.000 1.047 234 I CA -0.038 61.311 61.300 0.081 0.000 1.381 234 I CB 0.898 38.978 38.000 0.133 0.000 1.417 234 I HN 0.071 nan 8.210 nan 0.000 0.540 235 E N 6.614 126.849 120.200 0.058 0.000 2.409 235 E HA 0.313 4.663 4.350 -0.000 0.000 0.259 235 E C -1.406 175.236 176.600 0.070 0.000 0.932 235 E CA -0.749 55.687 56.400 0.060 0.000 0.809 235 E CB 1.296 31.027 29.700 0.051 0.000 1.341 235 E HN 0.365 nan 8.360 nan 0.000 0.405 236 I N 2.999 123.617 120.570 0.080 0.000 2.529 236 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 236 I C 0.537 176.729 176.117 0.126 0.000 1.082 236 I CA 0.223 61.583 61.300 0.099 0.000 1.406 236 I CB 0.930 38.979 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.610 126.901 120.200 0.152 0.000 2.145 237 E HA 0.573 4.923 4.350 -0.000 0.000 0.270 237 E C -1.310 175.426 176.600 0.227 0.000 0.906 237 E CA -0.514 55.992 56.400 0.178 0.000 0.761 237 E CB 0.969 30.765 29.700 0.161 0.000 1.116 237 E HN 0.492 nan 8.360 nan 0.000 0.408 238 I N 4.495 125.224 120.570 0.265 0.000 2.406 238 I HA 0.395 4.565 4.170 -0.000 0.000 0.290 238 I C -0.850 175.461 176.117 0.324 0.000 0.999 238 I CA -1.045 60.460 61.300 0.342 0.000 1.124 238 I CB 1.860 40.119 38.000 0.432 0.000 1.289 238 I HN 0.275 nan 8.210 nan 0.000 0.441 239 V N 4.583 124.690 119.914 0.321 0.000 2.760 239 V HA 0.399 4.519 4.120 -0.000 0.000 0.309 239 V C 0.043 176.290 176.094 0.255 0.000 1.077 239 V CA -0.557 61.900 62.300 0.261 0.000 0.910 239 V CB 2.270 34.221 31.823 0.214 0.000 1.008 239 V HN 0.898 nan 8.190 nan 0.000 0.424 240 S N 3.256 119.081 115.700 0.208 0.000 2.693 240 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 240 S C 0.980 175.497 174.600 -0.138 0.000 1.192 240 S CA -0.526 57.625 58.200 -0.081 0.000 0.994 240 S CB 1.300 64.476 63.200 -0.040 0.000 1.012 240 S HN 0.745 nan 8.310 nan 0.000 0.550 241 K N 0.073 120.291 120.400 -0.304 0.000 2.281 241 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 241 K C 1.858 178.432 176.600 -0.042 0.000 1.046 241 K CA 1.183 57.353 56.287 -0.194 0.000 0.938 241 K CB -0.755 31.599 32.500 -0.243 0.000 0.737 241 K HN 0.702 nan 8.250 nan 0.000 0.458 242 A N 1.663 124.458 122.820 -0.041 0.000 1.821 242 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 242 A C 1.262 178.870 177.584 0.040 0.000 1.214 242 A CA 1.834 53.874 52.037 0.005 0.000 0.608 242 A CB -0.632 18.376 19.000 0.013 0.000 0.862 242 A HN 0.379 nan 8.150 nan 0.000 0.448 243 D N -1.864 118.570 120.400 0.056 0.000 2.338 243 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 243 D C 0.991 177.341 176.300 0.083 0.000 1.095 243 D CA 0.265 54.298 54.000 0.055 0.000 0.888 243 D CB -0.146 40.684 40.800 0.050 0.000 0.899 243 D HN 0.586 nan 8.370 nan 0.000 0.525 244 Y N 1.048 121.329 120.300 -0.032 0.000 2.314 244 Y HA 0.098 4.648 4.550 -0.000 0.000 0.294 244 Y C 2.182 178.067 175.900 -0.024 0.000 1.119 244 Y CA 0.933 59.011 58.100 -0.036 0.000 1.179 244 Y CB -0.117 38.292 38.460 -0.084 0.000 1.025 244 Y HN -0.000 nan 8.280 nan 0.000 0.541 245 A N 0.598 123.383 122.820 -0.060 0.000 1.873 245 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 245 A C 2.020 179.525 177.584 -0.132 0.000 1.186 245 A CA 1.611 53.570 52.037 -0.129 0.000 0.616 245 A CB -0.531 18.453 19.000 -0.028 0.000 0.823 245 A HN 0.419 nan 8.150 nan 0.000 0.442 246 K N 0.183 120.540 120.400 -0.072 0.000 2.611 246 K HA 0.028 4.347 4.320 -0.000 0.000 0.193 246 K C 1.647 178.204 176.600 -0.071 0.000 1.026 246 K CA 0.282 56.535 56.287 -0.057 0.000 1.063 246 K CB -0.410 32.074 32.500 -0.026 0.000 0.839 246 K HN 0.501 nan 8.250 nan 0.000 0.505 247 G N 1.546 110.265 108.800 -0.135 0.000 2.626 247 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.224 247 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.224 247 G C 1.421 176.280 174.900 -0.068 0.000 1.095 247 G CA 1.374 46.397 45.100 -0.128 0.000 0.738 247 G HN 0.422 nan 8.290 nan 0.000 0.600 248 A N 0.087 122.863 122.820 -0.072 0.000 1.878 248 A HA 0.249 4.569 4.320 -0.000 0.000 0.213 248 A C 2.689 180.259 177.584 -0.024 0.000 1.192 248 A CA 1.902 53.914 52.037 -0.040 0.000 0.619 248 A CB -0.250 18.724 19.000 -0.044 0.000 0.837 248 A HN 0.312 nan 8.150 nan 0.000 0.446 249 S N 0.454 116.138 115.700 -0.027 0.000 2.388 249 S HA 0.291 4.761 4.470 -0.000 0.000 0.223 249 S C 1.318 175.910 174.600 -0.012 0.000 1.034 249 S CA 0.280 58.469 58.200 -0.018 0.000 0.963 249 S CB -0.601 62.587 63.200 -0.019 0.000 0.827 249 S HN 0.839 nan 8.310 nan 0.000 0.481 250 A N 2.129 124.942 122.820 -0.012 0.000 2.581 250 A HA 0.058 4.378 4.320 -0.000 0.000 0.257 250 A C 0.064 177.647 177.584 -0.001 0.000 1.022 250 A CA 0.501 52.536 52.037 -0.004 0.000 0.812 250 A CB -0.630 18.373 19.000 0.005 0.000 0.918 250 A HN 0.527 nan 8.150 nan 0.000 0.516 251 L N 4.830 126.049 121.223 -0.007 0.000 2.389 251 L HA 0.170 4.510 4.340 -0.000 0.000 0.265 251 L C -0.031 176.830 176.870 -0.015 0.000 1.167 251 L CA -0.396 54.438 54.840 -0.010 0.000 1.045 251 L CB -0.188 41.862 42.059 -0.015 0.000 1.351 251 L HN 0.619 nan 8.230 nan 0.000 0.419 252 L N 4.103 125.324 121.223 -0.002 0.000 2.578 252 L HA 0.028 4.368 4.340 -0.000 0.000 0.279 252 L C -2.000 174.855 176.870 -0.025 0.000 1.227 252 L CA -1.278 53.560 54.840 -0.004 0.000 0.900 252 L CB -0.194 41.886 42.059 0.034 0.000 1.144 252 L HN 0.251 nan 8.230 nan 0.000 0.496 253 P HA 0.376 nan 4.420 nan 0.000 0.282 253 P C -0.723 176.492 177.300 -0.142 0.000 1.259 253 P CA -0.448 62.559 63.100 -0.154 0.000 0.826 253 P CB 1.074 32.601 31.700 -0.288 0.000 1.064 254 I N 1.848 122.299 120.570 -0.198 0.000 2.355 254 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 254 I C -0.416 175.608 176.117 -0.155 0.000 0.999 254 I CA -0.718 60.537 61.300 -0.075 0.000 1.163 254 I CB 0.588 38.574 38.000 -0.023 0.000 1.316 254 I HN 0.273 nan 8.210 nan 0.000 0.454 255 Y N 7.364 127.692 120.300 0.046 0.000 2.323 255 Y HA 0.338 4.888 4.550 -0.000 0.000 0.331 255 Y C -1.724 174.186 175.900 0.017 0.000 1.092 255 Y CA -1.915 56.210 58.100 0.043 0.000 1.150 255 Y CB 0.820 39.331 38.460 0.084 0.000 1.200 255 Y HN 0.421 nan 8.280 nan 0.000 0.472 256 P HA 0.092 nan 4.420 nan 0.000 0.264 256 P C 1.444 178.747 177.300 0.005 0.000 1.259 256 P CA 0.520 63.668 63.100 0.080 0.000 0.841 256 P CB 0.595 32.305 31.700 0.017 0.000 1.232 257 G N 0.658 109.459 108.800 0.002 0.000 2.672 257 G HA2 0.109 4.069 3.960 -0.000 0.000 0.218 257 G HA3 0.109 4.069 3.960 -0.000 0.000 0.218 257 G C 0.814 175.689 174.900 -0.042 0.000 1.238 257 G CA 1.151 46.242 45.100 -0.016 0.000 0.791 257 G HN 0.628 nan 8.290 nan 0.000 0.606 258 G N -3.264 105.491 108.800 -0.075 0.000 2.325 258 G HA2 0.537 4.497 3.960 -0.000 0.000 0.285 258 G HA3 0.537 4.497 3.960 -0.000 0.000 0.285 258 G C 0.390 175.234 174.900 -0.093 0.000 1.303 258 G CA 0.358 45.397 45.100 -0.102 0.000 0.970 258 G HN 2.193 nan 8.290 nan 0.000 0.490 259 G N -1.985 106.765 108.800 -0.084 0.000 2.915 259 G HA2 0.452 4.412 3.960 -0.000 0.000 0.337 259 G HA3 0.452 4.412 3.960 -0.000 0.000 0.337 259 G C 0.421 175.275 174.900 -0.077 0.000 1.477 259 G CA 1.010 46.071 45.100 -0.065 0.000 0.916 259 G HN 2.806 nan 8.290 nan 0.000 0.550 260 T N -2.603 111.919 114.554 -0.053 0.000 2.773 260 T HA 0.854 5.204 4.350 -0.000 0.000 0.278 260 T C -0.203 174.483 174.700 -0.022 0.000 1.011 260 T CA -0.114 61.958 62.100 -0.046 0.000 1.014 260 T CB 2.494 71.335 68.868 -0.045 0.000 1.293 260 T HN 1.449 nan 8.240 nan 0.000 0.554 261 R N -0.205 120.288 120.500 -0.011 0.000 2.647 261 R HA 0.550 4.890 4.340 -0.000 0.000 0.260 261 R C -0.890 175.416 176.300 0.009 0.000 1.154 261 R CA -0.529 55.572 56.100 0.002 0.000 1.029 261 R CB 1.406 31.713 30.300 0.011 0.000 1.262 261 R HN 1.165 nan 8.270 nan 0.000 0.437 262 A N 2.931 125.756 122.820 0.008 0.000 2.584 262 A HA 0.093 4.413 4.320 -0.000 0.000 0.239 262 A C 0.600 178.199 177.584 0.024 0.000 1.043 262 A CA 0.882 52.925 52.037 0.010 0.000 0.756 262 A CB 0.389 19.393 19.000 0.006 0.000 0.963 262 A HN 0.758 nan 8.150 nan 0.000 0.511 263 S N 0.673 116.390 115.700 0.028 0.000 2.598 263 S HA 0.302 4.772 4.470 -0.000 0.000 0.256 263 S C 1.341 175.974 174.600 0.054 0.000 1.350 263 S CA 0.720 58.951 58.200 0.051 0.000 0.984 263 S CB 0.357 63.588 63.200 0.053 0.000 0.930 263 S HN 1.727 nan 8.310 nan 0.000 0.577 264 T N -1.629 112.978 114.554 0.087 0.000 3.131 264 T HA 0.401 4.751 4.350 -0.000 0.000 0.283 264 T C 1.558 176.346 174.700 0.147 0.000 0.906 264 T CA 0.716 62.869 62.100 0.088 0.000 0.882 264 T CB -0.666 68.250 68.868 0.080 0.000 1.208 264 T HN 0.749 nan 8.240 nan 0.000 0.561 265 A N 3.034 125.983 122.820 0.215 0.000 1.863 265 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 265 A C 2.157 179.997 177.584 0.427 0.000 1.233 265 A CA 2.637 54.919 52.037 0.409 0.000 0.655 265 A CB -1.076 18.172 19.000 0.413 0.000 0.839 265 A HN 0.527 nan 8.150 nan 0.000 0.454 266 K N 0.160 120.605 120.400 0.074 0.000 2.360 266 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 266 K C 1.192 177.823 176.600 0.051 0.000 1.046 266 K CA 1.348 57.575 56.287 -0.099 0.000 0.945 266 K CB -0.452 31.767 32.500 -0.468 0.000 0.750 266 K HN 0.407 nan 8.250 nan 0.000 0.464 267 A N -0.331 122.531 122.820 0.070 0.000 2.462 267 A HA 0.301 4.621 4.320 -0.000 0.000 0.261 267 A C 0.795 178.407 177.584 0.047 0.000 1.323 267 A CA -0.009 52.056 52.037 0.046 0.000 0.913 267 A CB 0.258 19.272 19.000 0.023 0.000 1.028 267 A HN 0.102 nan 8.150 nan 0.000 0.511 268 V N -2.283 117.678 119.914 0.079 0.000 3.157 268 V HA 0.256 4.376 4.120 -0.000 0.000 0.253 268 V C -0.393 175.592 176.094 -0.182 0.000 1.637 268 V CA 0.117 62.372 62.300 -0.075 0.000 1.058 268 V CB -0.027 31.706 31.823 -0.150 0.000 0.917 268 V HN 0.376 nan 8.190 nan 0.000 0.417 269 F N 0.569 120.602 119.950 0.137 0.000 2.443 269 F HA 0.703 5.230 4.527 -0.000 0.000 0.335 269 F C 1.305 177.210 175.800 0.176 0.000 1.104 269 F CA 0.288 58.386 58.000 0.164 0.000 1.013 269 F CB 1.756 40.882 39.000 0.210 0.000 1.136 269 F HN -0.006 nan 8.300 nan 0.000 0.470 270 G N 1.374 110.373 108.800 0.332 0.000 2.610 270 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 270 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 270 G C -0.265 174.831 174.900 0.328 0.000 1.243 270 G CA 0.113 45.377 45.100 0.273 0.000 0.847 270 G HN 0.507 nan 8.290 nan 0.000 0.560 271 Y N 3.459 123.870 120.300 0.185 0.000 2.783 271 Y HA 0.401 4.951 4.550 -0.000 0.000 0.359 271 Y C 1.058 176.979 175.900 0.035 0.000 1.220 271 Y CA -0.623 57.546 58.100 0.114 0.000 1.649 271 Y CB -0.313 38.210 38.460 0.105 0.000 1.273 271 Y HN 0.187 nan 8.280 nan 0.000 0.506 272 G N 6.455 115.103 108.800 -0.253 0.000 2.616 272 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 272 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 272 G C -2.790 171.587 174.900 -0.873 0.000 1.213 272 G CA -1.717 42.972 45.100 -0.685 0.000 0.926 272 G HN 0.484 nan 8.290 nan 0.000 0.523 273 P HA 0.083 nan 4.420 nan 0.000 0.266 273 P C 0.391 177.386 177.300 -0.508 0.000 1.215 273 P CA -0.017 62.671 63.100 -0.687 0.000 0.763 273 P CB 1.104 32.408 31.700 -0.659 0.000 0.806 274 Q N 1.503 121.050 119.800 -0.422 0.000 1.940 274 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 274 Q C 1.034 176.905 176.000 -0.215 0.000 0.977 274 Q CA 1.369 56.989 55.803 -0.305 0.000 0.841 274 Q CB -1.179 27.409 28.738 -0.251 0.000 0.901 274 Q HN 0.549 nan 8.270 nan 0.000 0.446 275 T N -0.604 113.840 114.554 -0.183 0.000 2.766 275 T HA 0.059 4.409 4.350 -0.000 0.000 0.295 275 T C 0.290 174.874 174.700 -0.193 0.000 1.024 275 T CA -0.097 61.914 62.100 -0.149 0.000 1.018 275 T CB 0.449 69.250 68.868 -0.112 0.000 1.002 275 T HN 0.023 nan 8.240 nan 0.000 0.532 276 D N 0.215 120.522 120.400 -0.155 0.000 2.312 276 D HA 0.018 4.657 4.640 -0.000 0.000 0.211 276 D C 1.545 177.703 176.300 -0.238 0.000 0.964 276 D CA 0.980 54.874 54.000 -0.178 0.000 0.877 276 D CB -0.081 40.660 40.800 -0.098 0.000 0.924 276 D HN 0.639 nan 8.370 nan 0.000 0.515 277 S N -0.684 114.909 115.700 -0.178 0.000 2.573 277 S HA 0.184 4.654 4.470 -0.000 0.000 0.244 277 S C 0.357 174.867 174.600 -0.150 0.000 0.984 277 S CA -0.624 57.512 58.200 -0.107 0.000 1.001 277 S CB 0.085 63.276 63.200 -0.016 0.000 0.788 277 S HN 0.070 nan 8.310 nan 0.000 0.456 278 Q N 0.541 120.132 119.800 -0.348 0.000 2.309 278 Q HA 0.585 4.925 4.340 -0.000 0.000 0.264 278 Q C -1.617 174.070 176.000 -0.522 0.000 1.008 278 Q CA -0.659 54.966 55.803 -0.296 0.000 0.853 278 Q CB 1.740 30.315 28.738 -0.271 0.000 1.314 278 Q HN 0.539 nan 8.270 nan 0.000 0.448 279 Y N -0.555 119.608 120.300 -0.228 0.000 2.512 279 Y HA 0.574 5.124 4.550 -0.000 0.000 0.348 279 Y C -0.360 175.419 175.900 -0.202 0.000 0.990 279 Y CA -1.194 56.824 58.100 -0.136 0.000 1.033 279 Y CB 1.920 40.403 38.460 0.039 0.000 1.259 279 Y HN 0.656 nan 8.280 nan 0.000 0.461 280 A N 3.094 125.870 122.820 -0.073 0.000 2.309 280 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 280 A C -1.034 176.598 177.584 0.079 0.000 1.206 280 A CA -0.263 51.610 52.037 -0.274 0.000 0.850 280 A CB -0.335 18.377 19.000 -0.480 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.876 123.537 120.570 0.152 0.000 2.406 281 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 281 I C -0.385 175.933 176.117 0.334 0.000 0.999 281 I CA 0.134 61.596 61.300 0.269 0.000 1.124 281 I CB 1.718 39.876 38.000 0.264 0.000 1.289 281 I HN 0.507 nan 8.210 nan 0.000 0.441 282 I N 6.801 127.538 120.570 0.279 0.000 2.448 282 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 282 I C -0.778 175.418 176.117 0.130 0.000 1.027 282 I CA -0.725 60.704 61.300 0.215 0.000 1.111 282 I CB 1.532 39.663 38.000 0.218 0.000 1.236 282 I HN 0.138 nan 8.210 nan 0.000 0.452 283 V N 7.104 127.067 119.914 0.082 0.000 2.465 283 V HA 0.442 4.561 4.120 -0.000 0.000 0.279 283 V C 0.231 176.303 176.094 -0.037 0.000 1.045 283 V CA -0.337 61.982 62.300 0.031 0.000 0.938 283 V CB 1.445 33.274 31.823 0.010 0.000 0.986 283 V HN 0.646 nan 8.190 nan 0.000 0.467 284 R N 3.733 124.224 120.500 -0.015 0.000 2.621 284 R HA 0.636 4.976 4.340 -0.000 0.000 0.292 284 R C -0.654 175.635 176.300 -0.018 0.000 0.969 284 R CA -0.837 55.247 56.100 -0.028 0.000 0.887 284 R CB 2.542 32.845 30.300 0.004 0.000 1.180 284 R HN 0.630 nan 8.270 nan 0.000 0.450 285 R N 2.589 123.071 120.500 -0.031 0.000 2.473 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.303 285 R C -0.847 175.451 176.300 -0.005 0.000 1.002 285 R CA -0.371 55.728 56.100 -0.001 0.000 0.884 285 R CB 0.599 30.916 30.300 0.029 0.000 1.173 285 R HN 0.681 nan 8.270 nan 0.000 0.464 286 N N 3.854 122.553 118.700 -0.002 0.000 2.783 286 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 286 N C -0.928 174.580 175.510 -0.004 0.000 1.089 286 N CA 1.568 54.615 53.050 -0.004 0.000 0.690 286 N CB -0.853 37.630 38.487 -0.007 0.000 0.991 286 N HN 0.957 nan 8.380 nan 0.000 0.552 287 D N -4.111 116.288 120.400 -0.002 0.000 2.837 287 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 287 D C 0.340 176.636 176.300 -0.007 0.000 1.033 287 D CA 1.727 55.726 54.000 -0.001 0.000 1.021 287 D CB -1.435 39.365 40.800 -0.000 0.000 1.101 287 D HN 0.754 nan 8.370 nan 0.000 0.431 288 A N 0.441 123.253 122.820 -0.014 0.000 2.366 288 A HA 0.525 4.845 4.320 -0.000 0.000 0.272 288 A C 0.544 178.103 177.584 -0.042 0.000 1.135 288 A CA -0.337 51.686 52.037 -0.024 0.000 0.804 288 A CB 0.216 19.204 19.000 -0.020 0.000 1.064 288 A HN 0.112 nan 8.150 nan 0.000 0.499 289 I N 3.966 124.509 120.570 -0.044 0.000 2.268 289 I HA 0.024 4.194 4.170 -0.000 0.000 0.298 289 I C 1.351 177.411 176.117 -0.095 0.000 1.185 289 I CA 0.365 61.630 61.300 -0.058 0.000 1.548 289 I CB -0.018 37.951 38.000 -0.052 0.000 1.492 289 I HN 0.445 nan 8.210 nan 0.000 0.711 290 V N 3.227 123.045 119.914 -0.161 0.000 2.469 290 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 290 V C 0.992 176.920 176.094 -0.277 0.000 1.064 290 V CA 1.656 63.779 62.300 -0.296 0.000 1.066 290 V CB -0.367 31.072 31.823 -0.639 0.000 0.667 290 V HN 0.878 nan 8.190 nan 0.000 0.461 291 Q N -0.766 118.923 119.800 -0.184 0.000 2.435 291 Q HA 0.488 4.828 4.340 -0.000 0.000 0.282 291 Q C -1.309 174.697 176.000 0.008 0.000 1.020 291 Q CA -0.305 55.462 55.803 -0.059 0.000 0.820 291 Q CB 2.372 31.104 28.738 -0.009 0.000 1.436 291 Q HN 0.242 nan 8.270 nan 0.000 0.395 292 S N 1.412 117.134 115.700 0.037 0.000 2.720 292 S HA 0.756 5.226 4.470 -0.000 0.000 0.278 292 S C -1.508 173.211 174.600 0.197 0.000 1.172 292 S CA -0.577 57.664 58.200 0.068 0.000 1.019 292 S CB 1.525 64.586 63.200 -0.231 0.000 1.049 292 S HN 0.575 nan 8.310 nan 0.000 0.483 293 V N 2.735 122.857 119.914 0.347 0.000 3.159 293 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 293 V C -1.504 174.653 176.094 0.105 0.000 1.190 293 V CA -0.626 61.789 62.300 0.193 0.000 1.037 293 V CB 2.370 34.147 31.823 -0.076 0.000 1.060 293 V HN 0.894 nan 8.190 nan 0.000 0.437 294 V N 5.139 125.008 119.914 -0.076 0.000 2.444 294 V HA 0.595 4.715 4.120 -0.000 0.000 0.294 294 V C -0.440 175.505 176.094 -0.249 0.000 1.022 294 V CA -0.328 61.847 62.300 -0.207 0.000 0.850 294 V CB 1.456 33.131 31.823 -0.246 0.000 0.992 294 V HN 0.683 nan 8.190 nan 0.000 0.426 295 L N 2.948 124.028 121.223 -0.238 0.000 2.283 295 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 295 L C -0.187 176.573 176.870 -0.184 0.000 1.027 295 L CA -0.569 54.105 54.840 -0.277 0.000 0.828 295 L CB 2.419 44.259 42.059 -0.366 0.000 1.380 295 L HN 0.621 nan 8.230 nan 0.000 0.425 296 S N -1.335 114.275 115.700 -0.150 0.000 2.536 296 S HA 0.383 4.853 4.470 -0.000 0.000 0.298 296 S C 0.419 174.998 174.600 -0.034 0.000 1.083 296 S CA -0.083 58.072 58.200 -0.075 0.000 0.995 296 S CB 1.683 64.864 63.200 -0.032 0.000 1.058 296 S HN 0.758 nan 8.310 nan 0.000 0.488 297 T N 0.453 114.980 114.554 -0.045 0.000 3.107 297 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 297 T C 0.329 175.112 174.700 0.140 0.000 1.096 297 T CA 0.053 62.160 62.100 0.011 0.000 1.012 297 T CB -0.284 68.497 68.868 -0.145 0.000 0.977 297 T HN 0.469 nan 8.240 nan 0.000 0.527 298 K N 1.709 122.141 120.400 0.053 0.000 2.339 298 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 298 K C -0.112 176.340 176.600 -0.247 0.000 0.986 298 K CA -0.854 55.373 56.287 -0.099 0.000 0.866 298 K CB 0.943 33.401 32.500 -0.069 0.000 1.103 298 K HN 0.172 nan 8.250 nan 0.000 0.441 299 R N 1.825 121.966 120.500 -0.599 0.000 2.758 299 R HA -0.017 4.323 4.340 -0.000 0.000 0.263 299 R C 1.016 177.165 176.300 -0.252 0.000 1.010 299 R CA 1.424 57.115 56.100 -0.682 0.000 1.114 299 R CB 0.173 30.088 30.300 -0.641 0.000 0.985 299 R HN 1.060 nan 8.270 nan 0.000 0.439 300 G N 1.064 109.782 108.800 -0.137 0.000 2.900 300 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G C 0.594 175.483 174.900 -0.020 0.000 1.293 300 G CA -0.129 44.937 45.100 -0.057 0.000 0.792 300 G HN 0.971 nan 8.290 nan 0.000 0.527 301 G N 1.199 109.982 108.800 -0.028 0.000 2.257 301 G HA2 0.367 4.327 3.960 -0.000 0.000 0.235 301 G HA3 0.367 4.327 3.960 -0.000 0.000 0.235 301 G C 0.053 174.962 174.900 0.016 0.000 1.225 301 G CA 1.223 46.317 45.100 -0.009 0.000 0.878 301 G HN 0.810 nan 8.290 nan 0.000 0.505 302 K N 0.993 121.407 120.400 0.024 0.000 2.444 302 K HA 0.357 4.677 4.320 -0.000 0.000 0.252 302 K C -0.359 176.286 176.600 0.074 0.000 0.993 302 K CA -0.986 55.328 56.287 0.045 0.000 0.847 302 K CB 1.674 34.202 32.500 0.047 0.000 1.340 302 K HN 0.616 nan 8.250 nan 0.000 0.446 303 D N 0.459 120.920 120.400 0.101 0.000 2.376 303 D HA 0.019 4.659 4.640 -0.000 0.000 0.268 303 D C 1.045 177.436 176.300 0.153 0.000 1.252 303 D CA -0.330 53.774 54.000 0.174 0.000 1.041 303 D CB 0.131 41.009 40.800 0.131 0.000 1.109 303 D HN 0.566 nan 8.370 nan 0.000 0.552 304 I N -3.295 117.332 120.570 0.095 0.000 3.551 304 I HA 0.070 4.240 4.170 -0.000 0.000 0.307 304 I C -0.045 175.918 176.117 -0.256 0.000 1.215 304 I CA 0.111 61.359 61.300 -0.085 0.000 1.195 304 I CB -1.048 36.779 38.000 -0.288 0.000 0.998 304 I HN 0.189 nan 8.210 nan 0.000 0.510 305 Y N -0.047 120.207 120.300 -0.076 0.000 2.767 305 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 305 Y C 0.082 175.967 175.900 -0.026 0.000 1.133 305 Y CA -0.766 57.302 58.100 -0.053 0.000 1.225 305 Y CB 0.344 38.767 38.460 -0.061 0.000 1.312 305 Y HN 0.181 nan 8.280 nan 0.000 0.560 306 D N 0.370 120.833 120.400 0.105 0.000 2.911 306 D HA -0.174 4.466 4.640 -0.000 0.000 0.227 306 D C -0.456 175.890 176.300 0.077 0.000 1.164 306 D CA 1.148 55.189 54.000 0.069 0.000 0.782 306 D CB -1.131 39.694 40.800 0.042 0.000 1.094 306 D HN 0.094 nan 8.370 nan 0.000 0.425 307 S N 0.401 116.158 115.700 0.094 0.000 2.416 307 S HA 0.176 4.646 4.470 -0.000 0.000 0.287 307 S C 0.398 175.033 174.600 0.059 0.000 1.139 307 S CA -0.760 57.481 58.200 0.068 0.000 1.058 307 S CB 0.860 64.088 63.200 0.047 0.000 0.967 307 S HN 0.328 nan 8.310 nan 0.000 0.495 308 N N 3.532 122.270 118.700 0.063 0.000 2.394 308 N HA -0.066 4.674 4.740 -0.000 0.000 0.282 308 N C 0.473 176.028 175.510 0.075 0.000 1.351 308 N CA 0.044 53.137 53.050 0.073 0.000 0.936 308 N CB -0.197 38.341 38.487 0.085 0.000 1.274 308 N HN 0.713 nan 8.380 nan 0.000 0.489 309 I N 0.593 121.184 120.570 0.035 0.000 3.874 309 I HA 0.236 4.406 4.170 -0.000 0.000 0.331 309 I C -0.246 175.852 176.117 -0.032 0.000 1.489 309 I CA -0.922 60.342 61.300 -0.060 0.000 1.187 309 I CB -0.473 37.451 38.000 -0.127 0.000 1.150 309 I HN 0.258 nan 8.210 nan 0.000 0.412 310 Y N 2.437 122.698 120.300 -0.066 0.000 2.496 310 Y HA 0.268 4.818 4.550 -0.000 0.000 0.334 310 Y C 1.174 177.048 175.900 -0.043 0.000 1.080 310 Y CA -0.805 57.256 58.100 -0.065 0.000 1.355 310 Y CB 0.527 38.968 38.460 -0.031 0.000 1.193 310 Y HN 0.208 nan 8.280 nan 0.000 0.523 311 I N 3.816 124.098 120.570 -0.480 0.000 2.094 311 I HA -0.506 3.664 4.170 -0.000 0.000 0.236 311 I C 2.051 177.952 176.117 -0.359 0.000 1.016 311 I CA 2.135 63.213 61.300 -0.370 0.000 1.294 311 I CB -0.269 37.557 38.000 -0.291 0.000 1.006 311 I HN 0.674 nan 8.210 nan 0.000 0.397 312 D N 0.508 120.465 120.400 -0.739 0.000 2.172 312 D HA -0.212 4.428 4.640 -0.000 0.000 0.196 312 D C 1.691 177.878 176.300 -0.188 0.000 0.999 312 D CA 1.778 55.547 54.000 -0.384 0.000 0.856 312 D CB -0.265 40.334 40.800 -0.334 0.000 0.934 312 D HN 0.454 nan 8.370 nan 0.000 0.453 313 D N -0.308 119.983 120.400 -0.183 0.000 2.144 313 D HA -0.087 4.553 4.640 -0.000 0.000 0.207 313 D C 1.819 178.093 176.300 -0.043 0.000 0.970 313 D CA 0.101 54.096 54.000 -0.008 0.000 0.853 313 D CB -0.681 40.188 40.800 0.115 0.000 1.007 313 D HN 0.143 nan 8.370 nan 0.000 0.469 314 F N 1.275 121.077 119.950 -0.247 0.000 2.063 314 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 314 F C 1.942 177.502 175.800 -0.400 0.000 1.105 314 F CA 1.635 59.416 58.000 -0.365 0.000 1.215 314 F CB -0.553 38.103 39.000 -0.574 0.000 0.972 314 F HN -0.129 nan 8.300 nan 0.000 0.483 315 F N 0.261 120.009 119.950 -0.335 0.000 2.367 315 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 315 F C 2.524 178.120 175.800 -0.341 0.000 1.094 315 F CA 0.830 58.505 58.000 -0.543 0.000 1.409 315 F CB -1.453 36.997 39.000 -0.916 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.039 122.744 122.820 -0.062 0.000 2.131 316 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 316 A C 1.011 178.622 177.584 0.046 0.000 1.158 316 A CA 1.128 53.209 52.037 0.074 0.000 0.665 316 A CB -0.672 18.365 19.000 0.061 0.000 0.795 316 A HN 0.339 nan 8.150 nan 0.000 0.460 317 K N -0.823 119.543 120.400 -0.057 0.000 2.679 317 K HA 0.405 4.725 4.320 -0.000 0.000 0.188 317 K C 0.482 177.002 176.600 -0.134 0.000 1.055 317 K CA -0.000 56.247 56.287 -0.066 0.000 1.006 317 K CB 0.594 33.054 32.500 -0.066 0.000 1.317 317 K HN 0.320 nan 8.250 nan 0.000 0.584 318 G N 1.442 110.201 108.800 -0.069 0.000 2.449 318 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.304 318 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.304 318 G C 0.905 175.679 174.900 -0.210 0.000 0.962 318 G CA 0.668 45.721 45.100 -0.079 0.000 0.943 318 G HN 0.734 nan 8.290 nan 0.000 0.514 319 G N -1.154 107.375 108.800 -0.452 0.000 2.432 319 G HA2 0.247 4.207 3.960 -0.000 0.000 0.219 319 G HA3 0.247 4.207 3.960 -0.000 0.000 0.219 319 G C 0.728 175.272 174.900 -0.593 0.000 1.135 319 G CA 1.416 45.891 45.100 -1.041 0.000 0.767 319 G HN 1.278 nan 8.290 nan 0.000 0.550 320 S N -1.450 114.160 115.700 -0.151 0.000 2.572 320 S HA 0.346 4.816 4.470 -0.000 0.000 0.274 320 S C 0.287 174.984 174.600 0.161 0.000 1.150 320 S CA -0.584 57.708 58.200 0.153 0.000 0.944 320 S CB 1.773 65.236 63.200 0.438 0.000 1.071 320 S HN 0.247 nan 8.310 nan 0.000 0.479 321 E N 2.128 122.443 120.200 0.192 0.000 2.347 321 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 321 E C 0.159 176.668 176.600 -0.151 0.000 1.008 321 E CA 1.030 57.423 56.400 -0.012 0.000 0.852 321 E CB 0.175 29.796 29.700 -0.131 0.000 0.783 321 E HN 0.767 nan 8.360 nan 0.000 0.505 322 Y N -0.381 119.974 120.300 0.091 0.000 2.506 322 Y HA 0.203 4.753 4.550 -0.000 0.000 0.287 322 Y C 1.427 177.351 175.900 0.040 0.000 1.147 322 Y CA -0.339 57.829 58.100 0.114 0.000 1.241 322 Y CB 0.542 39.090 38.460 0.147 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.664 117.045 120.570 0.232 0.000 3.264 323 I HA 0.649 4.819 4.170 -0.000 0.000 0.309 323 I C -1.635 174.445 176.117 -0.060 0.000 1.099 323 I CA -1.082 60.264 61.300 0.077 0.000 0.989 323 I CB 2.871 40.921 38.000 0.084 0.000 1.250 323 I HN -0.058 nan 8.210 nan 0.000 0.478 324 F N 1.120 120.779 119.950 -0.484 0.000 2.622 324 F HA 0.778 5.305 4.527 -0.000 0.000 0.318 324 F C -0.896 174.447 175.800 -0.761 0.000 1.135 324 F CA -0.153 57.382 58.000 -0.774 0.000 1.015 324 F CB 1.804 40.571 39.000 -0.388 0.000 1.275 324 F HN 0.918 nan 8.300 nan 0.000 0.457 325 A N 2.600 124.676 122.820 -1.241 0.000 2.524 325 A HA 0.888 5.208 4.320 -0.000 0.000 0.286 325 A C -1.229 176.255 177.584 -0.166 0.000 1.203 325 A CA -0.665 51.111 52.037 -0.436 0.000 0.736 325 A CB 1.969 20.843 19.000 -0.209 0.000 1.322 325 A HN 0.722 nan 8.150 nan 0.000 0.424 326 T N -1.104 113.493 114.554 0.071 0.000 3.032 326 T HA 0.517 4.867 4.350 -0.000 0.000 0.312 326 T C 0.658 175.463 174.700 0.175 0.000 1.078 326 T CA 0.424 62.578 62.100 0.091 0.000 1.028 326 T CB 1.280 70.228 68.868 0.134 0.000 1.091 326 T HN 1.725 nan 8.240 nan 0.000 0.457 327 A N 3.349 126.213 122.820 0.073 0.000 2.125 327 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 327 A C 1.195 178.897 177.584 0.196 0.000 1.156 327 A CA 0.907 53.009 52.037 0.108 0.000 0.671 327 A CB -0.568 18.497 19.000 0.108 0.000 0.794 327 A HN 0.799 nan 8.150 nan 0.000 0.459 328 Q N 0.217 120.114 119.800 0.162 0.000 2.274 328 Q HA 0.078 4.418 4.340 -0.000 0.000 0.280 328 Q C 0.027 176.086 176.000 0.098 0.000 1.047 328 Q CA 0.460 56.340 55.803 0.127 0.000 0.907 328 Q CB 0.043 28.847 28.738 0.110 0.000 1.171 328 Q HN 0.472 nan 8.270 nan 0.000 0.381 329 N N 1.969 120.716 118.700 0.078 0.000 2.713 329 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 329 N C -1.386 174.133 175.510 0.015 0.000 1.117 329 N CA 0.850 53.914 53.050 0.024 0.000 0.770 329 N CB -1.022 37.438 38.487 -0.046 0.000 1.137 329 N HN 0.676 nan 8.380 nan 0.000 0.566 330 W N 2.881 124.106 121.300 -0.124 0.000 2.489 330 W HA 0.166 4.826 4.660 -0.000 0.000 0.327 330 W C -2.020 174.411 176.519 -0.147 0.000 1.436 330 W CA -1.157 56.066 57.345 -0.205 0.000 1.315 330 W CB -0.131 29.199 29.460 -0.217 0.000 1.373 330 W HN 0.035 nan 8.180 nan 0.000 0.557 331 P HA -0.064 nan 4.420 nan 0.000 0.264 331 P C -0.453 177.041 177.300 0.323 0.000 1.193 331 P CA 0.722 63.881 63.100 0.098 0.000 0.763 331 P CB 0.452 32.196 31.700 0.073 0.000 0.810 332 E N 1.884 122.254 120.200 0.284 0.000 2.414 332 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 332 E C 1.271 178.094 176.600 0.372 0.000 1.000 332 E CA 0.599 57.199 56.400 0.333 0.000 0.914 332 E CB -0.058 29.767 29.700 0.208 0.000 0.948 332 E HN 0.758 nan 8.360 nan 0.000 0.444 333 G N 3.631 112.731 108.800 0.500 0.000 2.212 333 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.267 333 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.267 333 G C 0.078 175.242 174.900 0.438 0.000 1.002 333 G CA 0.369 45.712 45.100 0.406 0.000 0.729 333 G HN 0.576 nan 8.290 nan 0.000 0.517 334 F N 1.722 121.896 119.950 0.373 0.000 2.572 334 F HA 0.477 5.004 4.527 -0.000 0.000 0.370 334 F C 0.459 176.409 175.800 0.249 0.000 1.103 334 F CA 0.778 58.884 58.000 0.176 0.000 1.286 334 F CB 0.751 39.703 39.000 -0.080 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.283 118.677 115.700 -0.510 0.000 2.548 335 S HA 0.838 5.308 4.470 -0.000 0.000 0.276 335 S C -0.293 173.964 174.600 -0.571 0.000 1.129 335 S CA -0.226 57.817 58.200 -0.261 0.000 0.931 335 S CB 1.551 64.744 63.200 -0.011 0.000 1.068 335 S HN 1.232 nan 8.310 nan 0.000 0.480 336 G N 1.452 110.137 108.800 -0.191 0.000 2.321 336 G HA2 0.419 4.379 3.960 -0.000 0.000 0.296 336 G HA3 0.419 4.379 3.960 -0.000 0.000 0.296 336 G C -2.349 172.687 174.900 0.227 0.000 1.287 336 G CA -0.696 44.417 45.100 0.021 0.000 0.846 336 G HN 0.494 nan 8.290 nan 0.000 0.508 337 I N 1.334 122.067 120.570 0.271 0.000 2.355 337 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 337 I C 0.109 176.391 176.117 0.275 0.000 0.999 337 I CA -0.733 60.700 61.300 0.222 0.000 1.163 337 I CB 0.838 38.919 38.000 0.136 0.000 1.316 337 I HN 0.322 nan 8.210 nan 0.000 0.454 338 L N 5.759 127.100 121.223 0.197 0.000 2.292 338 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 338 L C 0.342 177.271 176.870 0.098 0.000 1.065 338 L CA -0.165 54.755 54.840 0.133 0.000 0.806 338 L CB 1.172 43.243 42.059 0.020 0.000 1.175 338 L HN 0.521 nan 8.230 nan 0.000 0.431 339 T N 4.851 119.460 114.554 0.092 0.000 2.874 339 T HA 0.424 4.774 4.350 -0.000 0.000 0.321 339 T C 0.081 174.810 174.700 0.048 0.000 1.075 339 T CA -0.464 61.676 62.100 0.066 0.000 0.966 339 T CB 0.313 69.218 68.868 0.062 0.000 1.001 339 T HN 0.278 nan 8.240 nan 0.000 0.476 340 L N 3.814 125.066 121.223 0.048 0.000 2.416 340 L HA 0.558 4.898 4.340 -0.000 0.000 0.272 340 L C 0.776 177.673 176.870 0.046 0.000 1.161 340 L CA -0.144 54.725 54.840 0.047 0.000 0.845 340 L CB 0.458 42.555 42.059 0.063 0.000 1.119 340 L HN 0.738 nan 8.230 nan 0.000 0.464 341 S N -0.120 115.605 115.700 0.041 0.000 2.703 341 S HA 0.658 5.128 4.470 -0.000 0.000 0.273 341 S C 0.402 175.024 174.600 0.037 0.000 1.178 341 S CA -0.210 58.013 58.200 0.039 0.000 0.838 341 S CB 1.396 64.615 63.200 0.031 0.000 1.178 341 S HN 1.013 nan 8.310 nan 0.000 0.494 342 G N -0.044 108.778 108.800 0.037 0.000 2.196 342 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.268 342 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.268 342 G C 0.836 175.758 174.900 0.037 0.000 0.975 342 G CA 0.583 45.702 45.100 0.032 0.000 0.648 342 G HN 1.782 nan 8.290 nan 0.000 0.538 343 G N -0.529 108.301 108.800 0.051 0.000 2.391 343 G HA2 0.459 4.419 3.960 -0.000 0.000 0.234 343 G HA3 0.459 4.419 3.960 -0.000 0.000 0.234 343 G C -0.132 174.807 174.900 0.065 0.000 1.284 343 G CA 0.435 45.576 45.100 0.068 0.000 0.873 343 G HN 1.092 nan 8.290 nan 0.000 0.549 344 L N 2.872 124.130 121.223 0.058 0.000 2.673 344 L HA 0.275 4.615 4.340 -0.000 0.000 0.255 344 L C 0.229 177.123 176.870 0.040 0.000 1.015 344 L CA -0.488 54.380 54.840 0.047 0.000 0.930 344 L CB 1.064 43.140 42.059 0.027 0.000 1.185 344 L HN 0.707 nan 8.230 nan 0.000 0.457 345 S N 2.520 118.257 115.700 0.061 0.000 2.474 345 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 345 S C 0.206 174.819 174.600 0.022 0.000 1.227 345 S CA -0.146 58.077 58.200 0.038 0.000 1.050 345 S CB 0.980 64.223 63.200 0.071 0.000 0.939 345 S HN 0.708 nan 8.310 nan 0.000 0.490 346 S N 3.774 119.475 115.700 0.002 0.000 2.498 346 S HA 0.386 4.856 4.470 -0.000 0.000 0.324 346 S C 0.497 175.083 174.600 -0.025 0.000 1.071 346 S CA -1.004 57.194 58.200 -0.004 0.000 1.113 346 S CB 0.657 63.856 63.200 -0.001 0.000 0.976 346 S HN 0.783 nan 8.310 nan 0.000 0.462 347 N N 3.135 121.817 118.700 -0.031 0.000 2.415 347 N HA 0.007 4.747 4.740 -0.000 0.000 0.176 347 N C 2.025 177.516 175.510 -0.031 0.000 1.042 347 N CA 0.825 53.840 53.050 -0.058 0.000 0.902 347 N CB -0.671 37.773 38.487 -0.072 0.000 0.986 347 N HN 0.746 nan 8.380 nan 0.000 0.447 348 A N 2.003 124.815 122.820 -0.013 0.000 1.865 348 A HA -0.274 4.046 4.320 -0.000 0.000 0.244 348 A C 0.646 178.229 177.584 -0.003 0.000 1.984 348 A CA 2.292 54.327 52.037 -0.003 0.000 0.785 348 A CB -0.749 18.252 19.000 0.002 0.000 0.849 348 A HN 0.577 nan 8.150 nan 0.000 0.501 349 E N -1.285 118.912 120.200 -0.004 0.000 3.037 349 E HA 0.550 4.900 4.350 -0.000 0.000 0.220 349 E C -1.149 175.449 176.600 -0.003 0.000 1.142 349 E CA -0.451 55.949 56.400 0.000 0.000 0.888 349 E CB 0.934 30.638 29.700 0.006 0.000 1.329 349 E HN 0.057 nan 8.360 nan 0.000 0.409 350 V N 2.266 122.170 119.914 -0.017 0.000 2.353 350 V HA 0.188 4.307 4.120 -0.000 0.000 0.264 350 V C 0.598 176.694 176.094 0.004 0.000 1.049 350 V CA -0.303 61.985 62.300 -0.021 0.000 0.896 350 V CB 1.124 32.900 31.823 -0.078 0.000 1.025 350 V HN 0.714 nan 8.190 nan 0.000 0.475 351 T N 4.776 119.344 114.554 0.025 0.000 2.903 351 T HA 0.272 4.622 4.350 -0.000 0.000 0.314 351 T C 1.519 176.255 174.700 0.059 0.000 1.078 351 T CA 0.318 62.442 62.100 0.040 0.000 1.114 351 T CB 1.137 70.030 68.868 0.042 0.000 0.987 351 T HN 0.852 nan 8.240 nan 0.000 0.548 352 A N 4.277 127.141 122.820 0.073 0.000 1.884 352 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 352 A C 2.521 180.181 177.584 0.127 0.000 1.197 352 A CA 2.580 54.680 52.037 0.106 0.000 0.637 352 A CB -1.682 17.383 19.000 0.108 0.000 0.827 352 A HN 1.107 nan 8.150 nan 0.000 0.450 353 G N -0.228 108.634 108.800 0.102 0.000 2.469 353 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 353 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 353 G C 0.993 175.978 174.900 0.141 0.000 1.150 353 G CA 1.397 46.561 45.100 0.107 0.000 0.763 353 G HN 0.567 nan 8.290 nan 0.000 0.561 354 D N 0.159 120.632 120.400 0.121 0.000 2.228 354 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 354 D C 2.360 178.752 176.300 0.152 0.000 0.988 354 D CA 0.409 54.503 54.000 0.156 0.000 0.864 354 D CB -0.086 40.778 40.800 0.108 0.000 0.928 354 D HN 0.339 nan 8.370 nan 0.000 0.469 355 L N -0.535 120.761 121.223 0.121 0.000 2.095 355 L HA -0.028 4.312 4.340 -0.000 0.000 0.204 355 L C 2.225 179.269 176.870 0.290 0.000 1.080 355 L CA 0.724 55.629 54.840 0.108 0.000 0.759 355 L CB -0.181 41.980 42.059 0.170 0.000 0.914 355 L HN 0.059 nan 8.230 nan 0.000 0.439 356 M N -0.843 118.989 119.600 0.386 0.000 2.175 356 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 356 M C 2.030 178.623 176.300 0.487 0.000 1.063 356 M CA 1.569 57.197 55.300 0.546 0.000 1.119 356 M CB -0.355 32.485 32.600 0.401 0.000 1.377 356 M HN 0.159 nan 8.290 nan 0.000 0.415 357 E N 0.449 120.861 120.200 0.354 0.000 2.118 357 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 357 E C 2.085 178.997 176.600 0.521 0.000 0.992 357 E CA 1.388 58.006 56.400 0.364 0.000 0.804 357 E CB -0.100 29.766 29.700 0.276 0.000 0.741 357 E HN 0.543 nan 8.360 nan 0.000 0.458 358 A N 0.624 123.700 122.820 0.427 0.000 1.832 358 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 358 A C 1.813 179.539 177.584 0.236 0.000 1.200 358 A CA 1.142 53.269 52.037 0.149 0.000 0.610 358 A CB -1.286 17.528 19.000 -0.309 0.000 0.842 358 A HN 0.397 nan 8.150 nan 0.000 0.444 359 W N 0.506 121.981 121.300 0.291 0.000 2.308 359 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 359 W C 1.606 178.404 176.519 0.466 0.000 1.220 359 W CA 1.135 58.725 57.345 0.409 0.000 1.240 359 W CB -0.267 29.369 29.460 0.294 0.000 1.142 359 W HN 0.373 nan 8.180 nan 0.000 0.521 360 D N -0.686 120.093 120.400 0.633 0.000 2.271 360 D HA -0.192 4.448 4.640 -0.000 0.000 0.207 360 D C 1.532 178.030 176.300 0.331 0.000 0.983 360 D CA 1.169 55.438 54.000 0.449 0.000 0.878 360 D CB -0.819 40.194 40.800 0.354 0.000 0.920 360 D HN 0.182 nan 8.370 nan 0.000 0.479 361 F N -0.960 118.998 119.950 0.014 0.000 2.583 361 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 361 F C 1.175 176.773 175.800 -0.337 0.000 1.131 361 F CA 0.379 58.233 58.000 -0.244 0.000 1.467 361 F CB -0.080 38.644 39.000 -0.460 0.000 1.097 361 F HN -0.034 nan 8.300 nan 0.000 0.586 362 F N -1.419 118.734 119.950 0.339 0.000 2.682 362 F HA 0.318 4.845 4.527 -0.000 0.000 0.308 362 F C 1.651 177.609 175.800 0.263 0.000 1.093 362 F CA -0.121 58.053 58.000 0.290 0.000 1.244 362 F CB -0.395 38.813 39.000 0.347 0.000 1.052 362 F HN -0.191 nan 8.300 nan 0.000 0.573 363 A N 0.735 123.754 122.820 0.332 0.000 2.416 363 A HA 0.272 4.592 4.320 -0.000 0.000 0.252 363 A C -0.655 177.001 177.584 0.119 0.000 1.353 363 A CA 0.077 52.241 52.037 0.211 0.000 0.996 363 A CB -1.396 17.701 19.000 0.162 0.000 0.961 363 A HN 0.254 nan 8.150 nan 0.000 0.523 364 D N -2.431 118.045 120.400 0.127 0.000 2.591 364 D HA 0.257 4.897 4.640 -0.000 0.000 0.222 364 D C 0.240 176.591 176.300 0.085 0.000 1.360 364 D CA -0.701 53.344 54.000 0.074 0.000 0.967 364 D CB 0.272 41.094 40.800 0.037 0.000 1.456 364 D HN 0.025 nan 8.370 nan 0.000 0.588 365 R N 0.977 121.521 120.500 0.073 0.000 2.200 365 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 365 R C 1.229 177.565 176.300 0.060 0.000 1.127 365 R CA 1.266 57.411 56.100 0.075 0.000 0.989 365 R CB -0.103 30.230 30.300 0.056 0.000 0.869 365 R HN 0.555 nan 8.270 nan 0.000 0.459 366 E N -0.041 120.186 120.200 0.044 0.000 2.118 366 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 366 E C 1.612 178.235 176.600 0.038 0.000 0.992 366 E CA 1.774 58.193 56.400 0.032 0.000 0.804 366 E CB 0.093 29.804 29.700 0.019 0.000 0.741 366 E HN 0.341 nan 8.360 nan 0.000 0.458 367 S N -0.115 115.612 115.700 0.046 0.000 2.444 367 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 367 S C 0.704 175.347 174.600 0.071 0.000 1.054 367 S CA 0.231 58.458 58.200 0.045 0.000 0.947 367 S CB 0.456 63.673 63.200 0.027 0.000 0.850 367 S HN 0.123 nan 8.310 nan 0.000 0.527 368 V N 2.315 122.295 119.914 0.110 0.000 2.444 368 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 368 V C -1.479 174.712 176.094 0.162 0.000 1.022 368 V CA -1.297 61.092 62.300 0.148 0.000 0.850 368 V CB 1.525 33.479 31.823 0.219 0.000 0.992 368 V HN 0.327 nan 8.190 nan 0.000 0.426 369 D N 4.772 125.248 120.400 0.127 0.000 2.435 369 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 369 D C 0.219 176.589 176.300 0.117 0.000 1.215 369 D CA -0.112 53.957 54.000 0.115 0.000 0.947 369 D CB 1.399 42.251 40.800 0.087 0.000 1.048 369 D HN 0.717 nan 8.370 nan 0.000 0.512 370 V N -0.371 119.626 119.914 0.137 0.000 2.444 370 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 370 V C 0.551 176.716 176.094 0.118 0.000 1.022 370 V CA -0.789 61.558 62.300 0.079 0.000 0.850 370 V CB 1.683 33.489 31.823 -0.028 0.000 0.992 370 V HN 0.051 nan 8.190 nan 0.000 0.426 371 Q N 3.926 123.782 119.800 0.093 0.000 2.123 371 Q HA 0.395 4.735 4.340 -0.000 0.000 0.196 371 Q C 0.207 176.307 176.000 0.167 0.000 0.958 371 Q CA 1.433 57.312 55.803 0.127 0.000 0.841 371 Q CB 0.003 28.800 28.738 0.100 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.942 120.352 121.223 0.117 0.000 2.319 372 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 372 L C -0.956 175.967 176.870 0.088 0.000 1.011 372 L CA -0.741 54.186 54.840 0.144 0.000 0.818 372 L CB 1.510 43.635 42.059 0.111 0.000 1.316 372 L HN -0.044 nan 8.230 nan 0.000 0.432 373 F N 1.742 121.642 119.950 -0.083 0.000 2.610 373 F HA 0.447 4.973 4.527 -0.000 0.000 0.355 373 F C -0.065 175.660 175.800 -0.124 0.000 1.140 373 F CA -0.390 57.517 58.000 -0.155 0.000 1.037 373 F CB 1.285 40.154 39.000 -0.218 0.000 1.287 373 F HN 0.186 nan 8.300 nan 0.000 0.457 374 I N 3.946 124.506 120.570 -0.017 0.000 2.436 374 I HA 0.170 4.339 4.170 -0.000 0.000 0.289 374 I C 0.774 176.956 176.117 0.109 0.000 1.083 374 I CA 0.454 61.781 61.300 0.045 0.000 1.372 374 I CB 1.080 39.082 38.000 0.003 0.000 1.408 374 I HN 0.784 nan 8.210 nan 0.000 0.516 375 A N 4.877 127.722 122.820 0.042 0.000 2.009 375 A HA 0.241 4.561 4.320 -0.000 0.000 0.197 375 A C 2.071 179.689 177.584 0.056 0.000 1.471 375 A CA 0.559 52.590 52.037 -0.011 0.000 0.973 375 A CB -0.397 18.523 19.000 -0.134 0.000 1.020 375 A HN 0.712 nan 8.150 nan 0.000 0.476 376 G N 1.222 110.046 108.800 0.040 0.000 2.527 376 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 376 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 376 G C 1.550 176.500 174.900 0.083 0.000 1.117 376 G CA 1.597 46.733 45.100 0.059 0.000 0.759 376 G HN 0.889 nan 8.290 nan 0.000 0.556 377 S N -0.604 115.127 115.700 0.052 0.000 2.488 377 S HA -0.154 4.316 4.470 -0.000 0.000 0.246 377 S C 1.748 176.184 174.600 -0.274 0.000 0.992 377 S CA 1.119 59.251 58.200 -0.113 0.000 0.963 377 S CB -0.715 62.462 63.200 -0.040 0.000 0.754 377 S HN 0.378 nan 8.310 nan 0.000 0.519 378 C N 1.325 120.609 119.300 -0.026 0.000 2.791 378 C HA 0.658 5.118 4.460 -0.000 0.000 0.270 378 C C 2.790 177.768 174.990 -0.020 0.000 1.257 378 C CA -0.627 58.401 59.018 0.018 0.000 1.699 378 C CB -1.656 26.184 27.740 0.165 0.000 1.904 378 C HN 0.720 nan 8.230 nan 0.000 0.603 379 A N 1.946 124.751 122.820 -0.025 0.000 1.940 379 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 379 A C 2.352 179.811 177.584 -0.209 0.000 1.190 379 A CA 2.468 54.477 52.037 -0.047 0.000 0.647 379 A CB -1.143 17.819 19.000 -0.062 0.000 0.821 379 A HN 0.566 nan 8.150 nan 0.000 0.457 380 G N -1.052 107.616 108.800 -0.221 0.000 2.464 380 G HA2 0.089 4.049 3.960 -0.000 0.000 0.217 380 G HA3 0.089 4.049 3.960 -0.000 0.000 0.217 380 G C 0.792 175.642 174.900 -0.084 0.000 1.138 380 G CA 0.741 45.733 45.100 -0.180 0.000 0.793 380 G HN 0.539 nan 8.290 nan 0.000 0.539 381 E N 0.905 121.088 120.200 -0.029 0.000 2.455 381 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 381 E C 0.574 177.184 176.600 0.016 0.000 1.245 381 E CA -0.117 56.299 56.400 0.026 0.000 1.013 381 E CB 0.318 30.069 29.700 0.086 0.000 0.978 381 E HN 0.144 nan 8.360 nan 0.000 0.479 382 S N 2.490 118.211 115.700 0.034 0.000 2.784 382 S HA -0.136 4.334 4.470 -0.000 0.000 0.322 382 S C 1.497 176.122 174.600 0.040 0.000 1.234 382 S CA -0.105 58.115 58.200 0.034 0.000 1.064 382 S CB 0.020 63.247 63.200 0.046 0.000 0.787 382 S HN 0.557 nan 8.310 nan 0.000 0.506 383 L N 3.203 124.442 121.223 0.027 0.000 2.058 383 L HA -0.340 4.000 4.340 -0.000 0.000 0.226 383 L C 2.337 179.261 176.870 0.091 0.000 1.089 383 L CA 2.178 57.038 54.840 0.034 0.000 0.799 383 L CB -0.650 41.440 42.059 0.050 0.000 0.900 383 L HN 0.802 nan 8.230 nan 0.000 0.442 384 E N -0.967 119.295 120.200 0.103 0.000 2.037 384 E HA -0.342 4.008 4.350 -0.000 0.000 0.214 384 E C 1.907 178.590 176.600 0.139 0.000 1.041 384 E CA 2.325 58.801 56.400 0.127 0.000 0.872 384 E CB -0.557 29.202 29.700 0.098 0.000 0.785 384 E HN 0.555 nan 8.360 nan 0.000 0.476 385 T N 0.064 114.687 114.554 0.115 0.000 2.778 385 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 385 T C 1.867 176.653 174.700 0.144 0.000 1.050 385 T CA 1.581 63.758 62.100 0.129 0.000 1.137 385 T CB -0.296 68.641 68.868 0.115 0.000 0.860 385 T HN 0.312 nan 8.240 nan 0.000 0.468 386 A N 0.560 123.448 122.820 0.114 0.000 1.927 386 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 386 A C 2.691 180.374 177.584 0.165 0.000 1.185 386 A CA 2.650 54.743 52.037 0.094 0.000 0.639 386 A CB -0.978 18.028 19.000 0.010 0.000 0.820 386 A HN 0.629 nan 8.150 nan 0.000 0.451 387 S N -1.342 114.507 115.700 0.249 0.000 2.341 387 S HA -0.092 4.378 4.470 -0.000 0.000 0.216 387 S C 2.241 177.008 174.600 0.280 0.000 1.034 387 S CA 1.522 59.955 58.200 0.388 0.000 0.964 387 S CB -0.778 62.735 63.200 0.521 0.000 0.882 387 S HN 0.823 nan 8.310 nan 0.000 0.469 388 T N 2.015 116.703 114.554 0.224 0.000 2.881 388 T HA -0.045 4.305 4.350 -0.000 0.000 0.270 388 T C 1.689 176.511 174.700 0.204 0.000 1.068 388 T CA 1.182 63.395 62.100 0.189 0.000 1.131 388 T CB -0.525 68.430 68.868 0.145 0.000 0.871 388 T HN 0.104 nan 8.240 nan 0.000 0.479 389 V N 1.407 121.448 119.914 0.212 0.000 2.221 389 V HA -0.153 3.966 4.120 -0.000 0.000 0.242 389 V C 2.887 179.084 176.094 0.172 0.000 1.041 389 V CA 2.095 64.542 62.300 0.245 0.000 0.995 389 V CB -0.949 31.038 31.823 0.273 0.000 0.635 389 V HN 0.511 nan 8.190 nan 0.000 0.448 390 Q N -0.054 119.819 119.800 0.122 0.000 2.047 390 Q HA -0.346 3.994 4.340 -0.000 0.000 0.211 390 Q C 2.373 178.446 176.000 0.123 0.000 1.005 390 Q CA 2.323 58.153 55.803 0.046 0.000 0.866 390 Q CB -0.384 28.369 28.738 0.025 0.000 0.938 390 Q HN 0.525 nan 8.270 nan 0.000 0.414 391 K N -0.300 120.252 120.400 0.253 0.000 2.077 391 K HA -0.283 4.037 4.320 -0.000 0.000 0.213 391 K C 2.142 178.825 176.600 0.139 0.000 1.051 391 K CA 1.927 58.362 56.287 0.246 0.000 0.929 391 K CB -0.355 32.271 32.500 0.209 0.000 0.715 391 K HN 0.438 nan 8.250 nan 0.000 0.451 392 H N -0.205 118.893 119.070 0.046 0.000 2.389 392 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 392 H C 1.863 177.165 175.328 -0.044 0.000 1.081 392 H CA 1.301 57.358 56.048 0.016 0.000 1.345 392 H CB 0.240 30.039 29.762 0.062 0.000 1.393 392 H HN -0.007 nan 8.280 nan 0.000 0.520 393 V N 1.003 120.723 119.914 -0.323 0.000 2.392 393 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 393 V C 2.854 178.703 176.094 -0.408 0.000 1.059 393 V CA 1.372 63.361 62.300 -0.519 0.000 1.051 393 V CB -0.547 30.882 31.823 -0.656 0.000 0.658 393 V HN 0.287 nan 8.190 nan 0.000 0.455 394 V N -0.675 119.101 119.914 -0.229 0.000 2.392 394 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 394 V C 2.236 178.204 176.094 -0.211 0.000 1.059 394 V CA 2.240 64.427 62.300 -0.188 0.000 1.051 394 V CB -0.496 31.287 31.823 -0.067 0.000 0.658 394 V HN 0.549 nan 8.190 nan 0.000 0.455 395 S N -1.477 114.128 115.700 -0.158 0.000 2.803 395 S HA 0.253 4.723 4.470 -0.000 0.000 0.228 395 S C 1.261 175.777 174.600 -0.140 0.000 0.953 395 S CA 0.222 58.359 58.200 -0.105 0.000 0.983 395 S CB -0.306 62.906 63.200 0.020 0.000 0.784 395 S HN 0.510 nan 8.310 nan 0.000 0.498 396 I N -0.974 119.440 120.570 -0.260 0.000 3.812 396 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 396 I C 2.404 178.321 176.117 -0.334 0.000 1.206 396 I CA 0.417 61.573 61.300 -0.240 0.000 1.370 396 I CB -0.332 37.531 38.000 -0.229 0.000 1.328 396 I HN 0.353 nan 8.210 nan 0.000 0.453 397 G N 0.481 108.967 108.800 -0.524 0.000 2.403 397 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 397 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 397 G C 1.142 175.725 174.900 -0.529 0.000 1.154 397 G CA 0.767 45.528 45.100 -0.565 0.000 0.784 397 G HN 0.186 nan 8.290 nan 0.000 0.538 398 D N 0.413 120.569 120.400 -0.406 0.000 2.087 398 D HA -0.114 4.525 4.640 -0.000 0.000 0.192 398 D C 2.694 178.796 176.300 -0.330 0.000 0.993 398 D CA 0.963 54.741 54.000 -0.370 0.000 0.828 398 D CB -0.461 40.218 40.800 -0.202 0.000 0.968 398 D HN 0.129 nan 8.370 nan 0.000 0.448 399 V N 0.941 120.723 119.914 -0.221 0.000 3.078 399 V HA -0.127 3.993 4.120 -0.000 0.000 0.265 399 V C 2.170 178.173 176.094 -0.152 0.000 1.122 399 V CA 1.561 63.772 62.300 -0.148 0.000 1.141 399 V CB -0.557 31.215 31.823 -0.085 0.000 0.735 399 V HN 0.289 nan 8.190 nan 0.000 0.498 400 R N -0.145 120.230 120.500 -0.208 0.000 2.257 400 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 400 R C 0.930 177.109 176.300 -0.201 0.000 0.921 400 R CA 0.101 56.110 56.100 -0.151 0.000 1.069 400 R CB -0.095 30.153 30.300 -0.087 0.000 1.115 400 R HN 0.374 nan 8.270 nan 0.000 0.571 401 Q N 1.359 120.907 119.800 -0.420 0.000 2.457 401 Q HA -0.197 4.143 4.340 -0.000 0.000 0.283 401 Q C -1.124 174.816 176.000 -0.099 0.000 1.234 401 Q CA 1.223 56.683 55.803 -0.572 0.000 0.877 401 Q CB -1.234 27.264 28.738 -0.400 0.000 1.250 401 Q HN 0.520 nan 8.270 nan 0.000 0.481 402 D N -0.172 120.202 120.400 -0.044 0.000 2.513 402 D HA 0.446 5.086 4.640 -0.000 0.000 0.295 402 D C -0.354 176.018 176.300 0.120 0.000 1.202 402 D CA 0.218 54.267 54.000 0.082 0.000 0.849 402 D CB 0.065 40.908 40.800 0.071 0.000 1.116 402 D HN 0.357 nan 8.370 nan 0.000 0.502 403 C N -0.057 119.348 119.300 0.175 0.000 3.232 403 C HA 0.602 5.062 4.460 -0.000 0.000 0.315 403 C C -1.888 173.230 174.990 0.214 0.000 1.401 403 C CA -1.208 57.924 59.018 0.189 0.000 1.142 403 C CB 0.322 28.138 27.740 0.127 0.000 1.559 403 C HN 0.488 nan 8.230 nan 0.000 0.408 404 L N 0.575 121.896 121.223 0.163 0.000 2.611 404 L HA 0.720 5.060 4.340 -0.000 0.000 0.260 404 L C -1.690 175.225 176.870 0.076 0.000 0.924 404 L CA -0.313 54.599 54.840 0.119 0.000 0.901 404 L CB 1.945 44.059 42.059 0.091 0.000 1.369 404 L HN 0.796 nan 8.230 nan 0.000 0.415 405 V N 5.119 125.030 119.914 -0.004 0.000 2.409 405 V HA 0.474 4.594 4.120 -0.000 0.000 0.291 405 V C -0.475 175.627 176.094 0.013 0.000 1.020 405 V CA -0.511 61.746 62.300 -0.071 0.000 0.848 405 V CB 1.801 33.472 31.823 -0.253 0.000 0.990 405 V HN 0.556 nan 8.190 nan 0.000 0.430 406 L N 3.994 125.239 121.223 0.037 0.000 2.346 406 L HA 1.019 5.359 4.340 -0.000 0.000 0.274 406 L C -0.585 176.291 176.870 0.010 0.000 1.007 406 L CA -0.297 54.561 54.840 0.029 0.000 0.818 406 L CB 1.696 43.773 42.059 0.031 0.000 1.284 406 L HN 0.529 nan 8.230 nan 0.000 0.424 407 C N 0.300 119.599 119.300 -0.003 0.000 2.985 407 C HA 0.809 5.269 4.460 -0.000 0.000 0.314 407 C C -0.041 174.889 174.990 -0.100 0.000 1.215 407 C CA -0.552 58.434 59.018 -0.052 0.000 1.414 407 C CB 1.741 29.414 27.740 -0.113 0.000 1.842 407 C HN 0.955 nan 8.230 nan 0.000 0.477 408 S N 2.175 117.792 115.700 -0.138 0.000 2.566 408 S HA 0.794 5.264 4.470 -0.000 0.000 0.298 408 S C -2.719 171.700 174.600 -0.303 0.000 1.083 408 S CA -0.968 57.071 58.200 -0.268 0.000 0.978 408 S CB 1.750 64.783 63.200 -0.279 0.000 1.073 408 S HN 0.682 nan 8.310 nan 0.000 0.491 409 P HA 0.311 nan 4.420 nan 0.000 0.272 409 P C -2.925 174.339 177.300 -0.060 0.000 1.240 409 P CA -1.566 61.266 63.100 -0.447 0.000 0.791 409 P CB -0.634 30.825 31.700 -0.401 0.000 0.978 410 P HA 0.288 nan 4.420 nan 0.000 0.280 410 P C 1.139 178.374 177.300 -0.109 0.000 1.244 410 P CA -0.206 62.767 63.100 -0.212 0.000 0.784 410 P CB 0.466 31.873 31.700 -0.487 0.000 0.913 411 R N 2.108 122.438 120.500 -0.283 0.000 2.133 411 R HA -0.247 4.093 4.340 -0.000 0.000 0.245 411 R C 1.745 177.912 176.300 -0.221 0.000 1.137 411 R CA 1.941 57.828 56.100 -0.354 0.000 0.947 411 R CB -0.430 29.614 30.300 -0.427 0.000 0.865 411 R HN 0.619 nan 8.270 nan 0.000 0.437 412 E N -0.841 119.250 120.200 -0.181 0.000 2.149 412 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 412 E C 1.876 178.415 176.600 -0.103 0.000 1.055 412 E CA 2.092 58.421 56.400 -0.117 0.000 0.870 412 E CB -0.269 29.392 29.700 -0.066 0.000 0.764 412 E HN 0.278 nan 8.360 nan 0.000 0.463 413 T N -0.960 113.509 114.554 -0.141 0.000 3.055 413 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 413 T C 1.409 176.044 174.700 -0.109 0.000 1.111 413 T CA 0.593 62.620 62.100 -0.122 0.000 1.118 413 T CB 0.340 69.018 68.868 -0.316 0.000 0.909 413 T HN -0.038 nan 8.240 nan 0.000 0.501 414 V N -0.714 119.122 119.914 -0.130 0.000 3.368 414 V HA 0.214 4.334 4.120 -0.000 0.000 0.255 414 V C 2.022 177.993 176.094 -0.205 0.000 1.466 414 V CA 0.251 62.474 62.300 -0.128 0.000 1.095 414 V CB 1.030 32.797 31.823 -0.094 0.000 0.899 414 V HN 0.240 nan 8.190 nan 0.000 0.440 415 V N 0.541 120.265 119.914 -0.317 0.000 2.426 415 V HA 0.065 4.185 4.120 -0.000 0.000 0.242 415 V C 2.518 178.394 176.094 -0.364 0.000 1.036 415 V CA 2.199 64.158 62.300 -0.568 0.000 1.044 415 V CB -0.785 30.454 31.823 -0.973 0.000 0.688 415 V HN 0.534 nan 8.190 nan 0.000 0.462 416 G N 1.608 110.266 108.800 -0.237 0.000 2.464 416 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G C 0.731 175.581 174.900 -0.083 0.000 1.218 416 G CA 1.096 46.119 45.100 -0.129 0.000 0.794 416 G HN 0.529 nan 8.290 nan 0.000 0.542 417 I N 0.757 121.283 120.570 -0.072 0.000 3.194 417 I HA 0.359 4.529 4.170 -0.000 0.000 0.283 417 I C -1.935 174.159 176.117 -0.039 0.000 1.199 417 I CA -3.348 57.927 61.300 -0.042 0.000 1.328 417 I CB -0.572 37.411 38.000 -0.027 0.000 1.404 417 I HN 0.013 nan 8.210 nan 0.000 0.618 418 P HA 0.164 nan 4.420 nan 0.000 0.276 418 P C 0.817 178.110 177.300 -0.012 0.000 1.252 418 P CA -0.468 62.623 63.100 -0.014 0.000 0.802 418 P CB 0.978 32.675 31.700 -0.006 0.000 1.035 419 V N 0.350 120.259 119.914 -0.007 0.000 2.392 419 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 419 V C 2.482 178.577 176.094 0.002 0.000 1.059 419 V CA 2.483 64.780 62.300 -0.004 0.000 1.051 419 V CB -1.947 29.876 31.823 0.000 0.000 0.658 419 V HN 0.621 nan 8.190 nan 0.000 0.455 420 T N 0.369 114.926 114.554 0.004 0.000 2.544 420 T HA -0.300 4.050 4.350 -0.000 0.000 0.264 420 T C 2.062 176.770 174.700 0.014 0.000 1.096 420 T CA 2.332 64.437 62.100 0.009 0.000 1.181 420 T CB -0.335 68.538 68.868 0.007 0.000 0.864 420 T HN 0.460 nan 8.240 nan 0.000 0.415 421 R N 0.933 121.440 120.500 0.013 0.000 2.091 421 R HA -0.042 4.298 4.340 -0.000 0.000 0.238 421 R C 2.840 179.157 176.300 0.028 0.000 1.136 421 R CA 1.207 57.319 56.100 0.021 0.000 0.959 421 R CB -0.705 29.604 30.300 0.015 0.000 0.856 421 R HN 0.416 nan 8.270 nan 0.000 0.437 422 A N 0.975 123.801 122.820 0.010 0.000 1.870 422 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 422 A C 2.411 180.003 177.584 0.013 0.000 1.224 422 A CA 2.303 54.340 52.037 -0.000 0.000 0.650 422 A CB -0.965 18.024 19.000 -0.019 0.000 0.836 422 A HN 0.152 nan 8.150 nan 0.000 0.454 423 V N 0.420 120.344 119.914 0.017 0.000 2.295 423 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 423 V C 2.228 178.352 176.094 0.050 0.000 1.049 423 V CA 2.202 64.517 62.300 0.025 0.000 1.024 423 V CB -1.059 30.777 31.823 0.022 0.000 0.648 423 V HN 0.517 nan 8.190 nan 0.000 0.447 424 D N 0.618 121.052 120.400 0.057 0.000 2.154 424 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 424 D C 2.039 178.421 176.300 0.136 0.000 1.003 424 D CA 1.754 55.803 54.000 0.082 0.000 0.849 424 D CB -0.477 40.366 40.800 0.072 0.000 0.942 424 D HN 0.416 nan 8.370 nan 0.000 0.446 425 N N 0.574 119.366 118.700 0.153 0.000 2.025 425 N HA -0.137 4.602 4.740 -0.000 0.000 0.194 425 N C 2.216 177.783 175.510 0.094 0.000 1.044 425 N CA 0.459 53.662 53.050 0.256 0.000 0.851 425 N CB -0.819 37.787 38.487 0.198 0.000 1.036 425 N HN 0.227 nan 8.380 nan 0.000 0.422 426 L N 0.773 122.013 121.223 0.028 0.000 2.013 426 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 426 L C 2.176 179.128 176.870 0.136 0.000 1.073 426 L CA 1.094 55.963 54.840 0.048 0.000 0.753 426 L CB -0.263 41.817 42.059 0.034 0.000 0.890 426 L HN 0.017 nan 8.230 nan 0.000 0.432 427 V N -0.638 119.344 119.914 0.112 0.000 2.379 427 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 427 V C 2.108 178.280 176.094 0.130 0.000 1.044 427 V CA 1.655 64.017 62.300 0.103 0.000 1.036 427 V CB -0.810 31.057 31.823 0.074 0.000 0.664 427 V HN 0.465 nan 8.190 nan 0.000 0.453 428 N N -0.426 118.385 118.700 0.185 0.000 2.061 428 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 428 N C 1.392 177.077 175.510 0.291 0.000 1.030 428 N CA 1.847 55.051 53.050 0.256 0.000 0.856 428 N CB -0.565 38.162 38.487 0.399 0.000 1.023 428 N HN 0.700 nan 8.380 nan 0.000 0.424 429 W N 2.248 123.552 121.300 0.007 0.000 2.363 429 W HA 0.007 4.667 4.660 -0.000 0.000 0.296 429 W C 1.663 178.200 176.519 0.030 0.000 1.212 429 W CA 0.950 58.233 57.345 -0.103 0.000 1.260 429 W CB -0.018 29.161 29.460 -0.469 0.000 1.131 429 W HN -0.058 nan 8.180 nan 0.000 0.530 430 R N -0.409 120.107 120.500 0.028 0.000 2.316 430 R HA -0.026 4.314 4.340 -0.000 0.000 0.202 430 R C 1.740 177.965 176.300 -0.125 0.000 1.029 430 R CA 1.500 57.538 56.100 -0.103 0.000 1.018 430 R CB -0.373 29.937 30.300 0.016 0.000 0.888 430 R HN 0.330 nan 8.270 nan 0.000 0.471 431 T N -2.903 111.617 114.554 -0.056 0.000 3.361 431 T HA 0.436 4.786 4.350 -0.000 0.000 0.241 431 T C 0.853 175.540 174.700 -0.021 0.000 0.998 431 T CA 0.992 63.065 62.100 -0.046 0.000 1.215 431 T CB 0.467 69.331 68.868 -0.006 0.000 1.196 431 T HN 0.162 nan 8.240 nan 0.000 0.376 432 A N 0.616 123.466 122.820 0.049 0.000 3.522 432 A HA 0.598 4.918 4.320 -0.000 0.000 0.113 432 A C 1.664 179.316 177.584 0.115 0.000 1.309 432 A CA 1.300 53.382 52.037 0.075 0.000 1.277 432 A CB -1.374 17.645 19.000 0.032 0.000 0.984 432 A HN 1.811 nan 8.150 nan 0.000 0.456 433 A N -1.171 121.695 122.820 0.076 0.000 5.264 433 A HA -0.050 4.270 4.320 -0.000 0.000 0.342 433 A C 2.606 180.232 177.584 0.070 0.000 1.706 433 A CA 3.626 55.707 52.037 0.074 0.000 0.706 433 A CB -1.978 17.078 19.000 0.092 0.000 1.455 433 A HN 2.541 nan 8.150 nan 0.000 0.402 434 G N -2.984 105.865 108.800 0.081 0.000 2.622 434 G HA2 0.214 4.174 3.960 -0.000 0.000 0.206 434 G HA3 0.214 4.174 3.960 -0.000 0.000 0.206 434 G C 1.613 176.495 174.900 -0.031 0.000 1.458 434 G CA 1.835 46.951 45.100 0.026 0.000 0.919 434 G HN 1.344 nan 8.290 nan 0.000 0.508 435 S N -0.097 115.510 115.700 -0.155 0.000 2.404 435 S HA 0.062 4.532 4.470 -0.000 0.000 0.223 435 S C 0.954 175.396 174.600 -0.264 0.000 1.040 435 S CA 0.428 58.438 58.200 -0.318 0.000 0.957 435 S CB -0.205 62.639 63.200 -0.594 0.000 0.826 435 S HN 0.427 nan 8.310 nan 0.000 0.491 436 Y N 2.134 122.507 120.300 0.122 0.000 2.826 436 Y HA 0.368 4.918 4.550 -0.000 0.000 0.371 436 Y C 1.754 177.744 175.900 0.149 0.000 1.252 436 Y CA -0.534 57.679 58.100 0.189 0.000 1.813 436 Y CB -0.766 37.916 38.460 0.370 0.000 1.913 436 Y HN 0.083 nan 8.280 nan 0.000 0.447 437 T N -1.046 113.614 114.554 0.177 0.000 2.937 437 T HA -0.115 4.235 4.350 -0.000 0.000 0.260 437 T C 1.054 175.823 174.700 0.114 0.000 1.051 437 T CA 2.010 64.183 62.100 0.121 0.000 1.141 437 T CB 0.082 68.990 68.868 0.067 0.000 0.879 437 T HN 0.533 nan 8.240 nan 0.000 0.459 438 D N 1.756 122.231 120.400 0.125 0.000 2.154 438 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 438 D C 0.908 177.296 176.300 0.146 0.000 0.977 438 D CA 0.604 54.668 54.000 0.107 0.000 0.869 438 D CB -0.446 40.409 40.800 0.091 0.000 1.022 438 D HN 0.317 nan 8.370 nan 0.000 0.461 439 N N 2.326 121.158 118.700 0.220 0.000 3.254 439 N HA 0.027 4.767 4.740 -0.000 0.000 0.308 439 N C -0.332 175.423 175.510 0.409 0.000 1.281 439 N CA -0.019 53.211 53.050 0.300 0.000 1.212 439 N CB -0.483 38.201 38.487 0.328 0.000 1.478 439 N HN 0.464 nan 8.380 nan 0.000 0.548 440 N N -0.221 118.590 118.700 0.184 0.000 2.434 440 N HA 0.116 4.856 4.740 -0.000 0.000 0.266 440 N C -0.531 174.800 175.510 -0.298 0.000 1.223 440 N CA -0.413 52.597 53.050 -0.067 0.000 0.972 440 N CB 0.843 39.292 38.487 -0.063 0.000 1.207 440 N HN 0.025 nan 8.380 nan 0.000 0.525 441 F N 0.177 119.515 119.950 -1.021 0.000 2.850 441 F HA 0.297 4.823 4.527 -0.000 0.000 0.329 441 F C 0.201 175.661 175.800 -0.567 0.000 1.182 441 F CA -1.102 56.330 58.000 -0.948 0.000 1.270 441 F CB -0.691 37.153 39.000 -1.927 0.000 0.979 441 F HN 0.439 nan 8.300 nan 0.000 0.506 442 N N 3.381 121.805 118.700 -0.460 0.000 3.027 442 N HA 0.072 4.812 4.740 -0.000 0.000 0.309 442 N C -0.244 175.036 175.510 -0.383 0.000 1.222 442 N CA 0.283 53.109 53.050 -0.372 0.000 1.187 442 N CB -0.644 37.717 38.487 -0.210 0.000 1.458 442 N HN 0.593 nan 8.380 nan 0.000 0.535 443 I N -2.652 117.574 120.570 -0.574 0.000 3.206 443 I HA 0.614 4.784 4.170 -0.000 0.000 0.313 443 I C -0.393 175.483 176.117 -0.401 0.000 1.103 443 I CA -1.012 60.016 61.300 -0.454 0.000 0.985 443 I CB 2.045 39.728 38.000 -0.528 0.000 1.240 443 I HN -0.041 nan 8.210 nan 0.000 0.464 444 S N 2.003 117.544 115.700 -0.265 0.000 2.488 444 S HA 0.316 4.786 4.470 -0.000 0.000 0.151 444 S C -0.845 173.683 174.600 -0.119 0.000 1.401 444 S CA -0.371 57.717 58.200 -0.187 0.000 1.221 444 S CB 0.227 63.342 63.200 -0.141 0.000 1.407 444 S HN 0.832 nan 8.310 nan 0.000 0.406 445 S N 1.516 117.153 115.700 -0.105 0.000 2.565 445 S HA 0.469 4.939 4.470 -0.000 0.000 0.290 445 S C 1.517 176.114 174.600 -0.005 0.000 1.150 445 S CA 0.188 58.377 58.200 -0.018 0.000 1.058 445 S CB 1.406 64.613 63.200 0.012 0.000 1.032 445 S HN 0.780 nan 8.310 nan 0.000 0.510 446 T N 2.262 116.827 114.554 0.018 0.000 3.072 446 T HA 0.029 4.379 4.350 -0.000 0.000 0.266 446 T C 0.826 175.378 174.700 -0.246 0.000 1.127 446 T CA 0.882 62.909 62.100 -0.121 0.000 1.107 446 T CB -0.470 68.287 68.868 -0.183 0.000 0.910 446 T HN 0.721 nan 8.240 nan 0.000 0.513 447 Y N 1.339 121.595 120.300 -0.074 0.000 2.478 447 Y HA 0.621 5.171 4.550 -0.000 0.000 0.261 447 Y C 1.547 177.400 175.900 -0.079 0.000 1.127 447 Y CA -0.698 57.354 58.100 -0.081 0.000 1.288 447 Y CB 0.036 38.428 38.460 -0.112 0.000 1.084 447 Y HN 0.319 nan 8.280 nan 0.000 0.530 448 A N 1.168 124.020 122.820 0.053 0.000 2.302 448 A HA 0.709 5.029 4.320 -0.000 0.000 0.295 448 A C -0.074 177.529 177.584 0.033 0.000 1.235 448 A CA -0.105 51.954 52.037 0.037 0.000 0.876 448 A CB -0.336 18.662 19.000 -0.004 0.000 1.133 448 A HN 0.230 nan 8.150 nan 0.000 0.533 449 A N 3.765 126.615 122.820 0.050 0.000 2.311 449 A HA 0.623 4.943 4.320 -0.000 0.000 0.306 449 A C -0.061 177.563 177.584 0.067 0.000 1.189 449 A CA -0.462 51.596 52.037 0.035 0.000 0.791 449 A CB 0.355 19.360 19.000 0.009 0.000 1.172 449 A HN 1.031 nan 8.150 nan 0.000 0.481 450 I N 0.755 121.380 120.570 0.090 0.000 3.210 450 I HA 0.662 4.832 4.170 -0.000 0.000 0.316 450 I C -1.007 175.114 176.117 0.007 0.000 1.067 450 I CA -0.540 60.809 61.300 0.081 0.000 1.047 450 I CB 1.978 40.096 38.000 0.195 0.000 1.352 450 I HN 0.710 nan 8.210 nan 0.000 0.565 451 D N 1.317 121.689 120.400 -0.046 0.000 2.738 451 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 451 D C -0.115 176.054 176.300 -0.219 0.000 1.345 451 D CA -0.147 53.783 54.000 -0.118 0.000 0.943 451 D CB 1.688 42.407 40.800 -0.134 0.000 1.514 451 D HN 0.620 nan 8.370 nan 0.000 0.585 452 G N 3.042 111.733 108.800 -0.182 0.000 2.759 452 G HA2 0.138 4.098 3.960 -0.000 0.000 0.208 452 G HA3 0.138 4.098 3.960 -0.000 0.000 0.208 452 G C 0.442 175.259 174.900 -0.138 0.000 1.076 452 G CA 0.020 45.046 45.100 -0.122 0.000 0.789 452 G HN 0.564 nan 8.290 nan 0.000 0.546 453 N N -1.884 116.719 118.700 -0.162 0.000 3.550 453 N HA 0.511 5.251 4.740 -0.000 0.000 0.357 453 N C -1.566 173.780 175.510 -0.273 0.000 1.585 453 N CA -0.862 52.090 53.050 -0.163 0.000 0.651 453 N CB 0.970 39.442 38.487 -0.025 0.000 2.273 453 N HN 0.005 nan 8.380 nan 0.000 0.631 454 Y N -0.044 120.276 120.300 0.033 0.000 2.441 454 Y HA 0.285 4.835 4.550 -0.000 0.000 0.334 454 Y C -0.667 175.475 175.900 0.403 0.000 1.061 454 Y CA -1.061 57.107 58.100 0.113 0.000 1.032 454 Y CB 2.334 40.784 38.460 -0.017 0.000 1.266 454 Y HN 0.387 nan 8.280 nan 0.000 0.441 455 K N 2.855 123.619 120.400 0.606 0.000 2.118 455 K HA 0.231 4.551 4.320 -0.000 0.000 0.264 455 K C -1.790 175.085 176.600 0.457 0.000 1.000 455 K CA -0.440 56.135 56.287 0.481 0.000 0.929 455 K CB 0.943 33.607 32.500 0.274 0.000 1.021 455 K HN 0.776 nan 8.250 nan 0.000 0.463 456 Y N 3.091 123.338 120.300 -0.088 0.000 2.587 456 Y HA 0.179 4.729 4.550 -0.000 0.000 0.328 456 Y C -0.188 175.548 175.900 -0.273 0.000 0.980 456 Y CA -0.315 57.417 58.100 -0.614 0.000 1.272 456 Y CB 0.917 38.612 38.460 -1.276 0.000 1.094 456 Y HN 0.707 nan 8.280 nan 0.000 0.503 457 Q N 3.216 122.795 119.800 -0.369 0.000 2.166 457 Q HA 0.327 4.667 4.340 -0.000 0.000 0.226 457 Q C -1.612 174.229 176.000 -0.266 0.000 0.989 457 Q CA -0.986 54.702 55.803 -0.192 0.000 0.966 457 Q CB 1.461 30.165 28.738 -0.057 0.000 1.173 457 Q HN 0.713 nan 8.270 nan 0.000 0.509 458 Y N 0.509 120.683 120.300 -0.209 0.000 2.377 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.339 458 Y C -1.206 174.625 175.900 -0.113 0.000 1.011 458 Y CA -0.907 57.080 58.100 -0.188 0.000 1.093 458 Y CB 1.626 40.008 38.460 -0.129 0.000 1.201 458 Y HN 0.529 nan 8.280 nan 0.000 0.455 459 D N 6.399 126.290 120.400 -0.848 0.000 2.499 459 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 459 D C 0.746 176.549 176.300 -0.828 0.000 1.124 459 D CA -0.342 53.308 54.000 -0.583 0.000 0.938 459 D CB 0.738 41.337 40.800 -0.335 0.000 1.014 459 D HN 0.837 nan 8.370 nan 0.000 0.517 460 K N 2.396 122.414 120.400 -0.635 0.000 2.362 460 K HA -0.224 4.096 4.320 -0.000 0.000 0.202 460 K C 0.378 176.716 176.600 -0.437 0.000 1.045 460 K CA 1.081 57.122 56.287 -0.409 0.000 0.936 460 K CB -0.153 32.238 32.500 -0.183 0.000 0.747 460 K HN 0.352 nan 8.250 nan 0.000 0.467 461 Y N 1.629 121.783 120.300 -0.244 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.230 178.012 175.900 -0.197 0.000 1.109 461 Y CA 0.981 58.955 58.100 -0.210 0.000 1.099 461 Y CB -0.434 37.847 38.460 -0.298 0.000 1.030 461 Y HN 0.084 nan 8.280 nan 0.000 0.495 462 N N 0.212 118.878 118.700 -0.057 0.000 2.512 462 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 462 N C -0.199 175.236 175.510 -0.124 0.000 1.073 462 N CA 1.527 54.523 53.050 -0.089 0.000 0.911 462 N CB -0.329 38.099 38.487 -0.099 0.000 0.964 462 N HN 0.316 nan 8.380 nan 0.000 0.447 463 D N -0.324 119.941 120.400 -0.225 0.000 2.739 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 463 D C -1.382 174.804 176.300 -0.190 0.000 1.114 463 D CA 0.302 54.166 54.000 -0.226 0.000 0.695 463 D CB -1.079 39.692 40.800 -0.049 0.000 1.078 463 D HN -0.049 nan 8.370 nan 0.000 0.434 464 V N 0.144 119.865 119.914 -0.322 0.000 3.049 464 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 464 V C 0.296 176.235 176.094 -0.259 0.000 1.148 464 V CA -1.294 60.893 62.300 -0.188 0.000 0.990 464 V CB 2.166 33.912 31.823 -0.129 0.000 1.039 464 V HN 0.146 nan 8.190 nan 0.000 0.430 465 N N 3.010 121.606 118.700 -0.173 0.000 2.514 465 N HA 0.531 5.271 4.740 -0.000 0.000 0.277 465 N C -0.388 174.800 175.510 -0.536 0.000 1.126 465 N CA -0.218 52.601 53.050 -0.385 0.000 0.978 465 N CB 1.432 39.745 38.487 -0.289 0.000 1.106 465 N HN 0.740 nan 8.380 nan 0.000 0.461 466 R N 1.499 121.529 120.500 -0.783 0.000 2.626 466 R HA 0.271 4.610 4.340 -0.000 0.000 0.274 466 R C -1.499 174.510 176.300 -0.485 0.000 1.031 466 R CA -0.672 55.153 56.100 -0.458 0.000 0.898 466 R CB 1.145 31.305 30.300 -0.233 0.000 1.222 466 R HN 0.466 nan 8.270 nan 0.000 0.455 467 W N 4.232 125.482 121.300 -0.085 0.000 2.322 467 W HA 0.384 5.044 4.660 -0.000 0.000 0.307 467 W C 0.119 176.602 176.519 -0.060 0.000 1.220 467 W CA -0.278 57.071 57.345 0.007 0.000 1.210 467 W CB 1.621 31.109 29.460 0.047 0.000 1.223 467 W HN 0.310 nan 8.180 nan 0.000 0.511 468 V N 2.025 122.089 119.914 0.251 0.000 2.876 468 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 468 V C -2.438 173.831 176.094 0.292 0.000 1.085 468 V CA -3.508 58.881 62.300 0.148 0.000 0.945 468 V CB 1.771 33.660 31.823 0.110 0.000 1.017 468 V HN 0.321 nan 8.190 nan 0.000 0.428 469 P HA 0.028 nan 4.420 nan 0.000 0.264 469 P C 0.352 177.853 177.300 0.334 0.000 1.193 469 P CA 0.089 63.575 63.100 0.644 0.000 0.763 469 P CB 1.176 33.109 31.700 0.389 0.000 0.810 470 L N 4.715 126.061 121.223 0.205 0.000 2.240 470 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 470 L C 2.447 179.350 176.870 0.054 0.000 1.106 470 L CA 1.724 56.627 54.840 0.104 0.000 0.793 470 L CB -1.704 40.376 42.059 0.036 0.000 0.927 470 L HN 0.438 nan 8.230 nan 0.000 0.446 471 A N 0.045 122.873 122.820 0.013 0.000 1.884 471 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 471 A C 2.514 180.135 177.584 0.061 0.000 1.197 471 A CA 2.394 54.439 52.037 0.014 0.000 0.637 471 A CB -1.307 17.693 19.000 -0.000 0.000 0.827 471 A HN 0.541 nan 8.150 nan 0.000 0.450 472 A N -0.667 122.209 122.820 0.093 0.000 1.971 472 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 472 A C 1.959 179.660 177.584 0.196 0.000 1.182 472 A CA 2.426 54.541 52.037 0.129 0.000 0.649 472 A CB -0.663 18.414 19.000 0.129 0.000 0.818 472 A HN 0.640 nan 8.150 nan 0.000 0.458 473 D N -0.030 120.459 120.400 0.148 0.000 2.106 473 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 473 D C 2.063 178.308 176.300 -0.092 0.000 0.977 473 D CA 1.516 55.589 54.000 0.122 0.000 0.844 473 D CB -0.311 40.573 40.800 0.140 0.000 1.002 473 D HN 0.580 nan 8.370 nan 0.000 0.461 474 I N -0.609 119.915 120.570 -0.077 0.000 2.399 474 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 474 I C 2.242 178.287 176.117 -0.119 0.000 1.146 474 I CA 1.653 62.871 61.300 -0.137 0.000 1.412 474 I CB -0.448 37.513 38.000 -0.065 0.000 1.076 474 I HN -0.096 nan 8.210 nan 0.000 0.432 475 A N 1.921 124.744 122.820 0.005 0.000 1.902 475 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 475 A C 2.432 180.096 177.584 0.133 0.000 1.181 475 A CA 1.827 53.928 52.037 0.106 0.000 0.623 475 A CB -1.581 17.529 19.000 0.183 0.000 0.818 475 A HN 0.563 nan 8.150 nan 0.000 0.443 476 G N -0.717 108.119 108.800 0.060 0.000 2.422 476 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 476 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 476 G C 1.333 175.947 174.900 -0.477 0.000 1.140 476 G CA 0.958 45.833 45.100 -0.374 0.000 0.775 476 G HN 0.422 nan 8.290 nan 0.000 0.545 477 L N 0.347 121.130 121.223 -0.732 0.000 2.456 477 L HA 0.091 4.431 4.340 -0.000 0.000 0.224 477 L C 2.307 179.042 176.870 -0.225 0.000 1.148 477 L CA 0.773 55.258 54.840 -0.592 0.000 0.825 477 L CB -0.321 41.418 42.059 -0.534 0.000 0.937 477 L HN 0.258 nan 8.230 nan 0.000 0.450 478 C N -2.166 117.049 119.300 -0.141 0.000 2.541 478 C HA 0.204 4.664 4.460 -0.000 0.000 0.284 478 C C 2.853 177.832 174.990 -0.018 0.000 1.341 478 C CA 0.185 59.172 59.018 -0.050 0.000 1.732 478 C CB -0.972 26.763 27.740 -0.008 0.000 2.126 478 C HN 0.626 nan 8.230 nan 0.000 0.505 479 A N 0.908 123.727 122.820 -0.002 0.000 2.042 479 A HA -0.184 4.135 4.320 -0.000 0.000 0.222 479 A C 2.086 179.671 177.584 0.003 0.000 1.167 479 A CA 1.605 53.656 52.037 0.023 0.000 0.649 479 A CB -0.371 18.648 19.000 0.030 0.000 0.809 479 A HN 0.560 nan 8.150 nan 0.000 0.457 480 R N -0.177 120.312 120.500 -0.017 0.000 1.633 480 R HA 0.046 4.385 4.340 -0.000 0.000 0.129 480 R C 0.441 176.740 176.300 -0.001 0.000 0.840 480 R CA 0.842 56.943 56.100 0.002 0.000 1.694 480 R CB -1.589 28.724 30.300 0.020 0.000 0.620 480 R HN 0.357 nan 8.270 nan 0.000 0.667 481 T N 2.803 117.352 114.554 -0.008 0.000 2.777 481 T HA -0.088 4.262 4.350 -0.000 0.000 0.273 481 T C 0.085 174.782 174.700 -0.004 0.000 1.016 481 T CA 0.482 62.579 62.100 -0.006 0.000 1.156 481 T CB -0.261 68.599 68.868 -0.014 0.000 1.019 481 T HN 0.253 nan 8.240 nan 0.000 0.503 482 D N 1.682 122.082 120.400 0.000 0.000 3.343 482 D HA -0.187 4.453 4.640 -0.000 0.000 0.231 482 D C 0.309 176.613 176.300 0.007 0.000 1.749 482 D CA 1.382 55.383 54.000 0.002 0.000 1.081 482 D CB -0.487 40.312 40.800 -0.002 0.000 0.753 482 D HN 0.774 nan 8.370 nan 0.000 0.889 483 N N -0.520 118.185 118.700 0.009 0.000 2.483 483 N HA 0.589 5.329 4.740 -0.000 0.000 0.285 483 N C -0.242 175.279 175.510 0.018 0.000 1.210 483 N CA -0.519 52.540 53.050 0.016 0.000 0.931 483 N CB 1.122 39.621 38.487 0.020 0.000 1.220 483 N HN 0.435 nan 8.380 nan 0.000 0.542 497 G N 1.900 110.701 108.800 0.002 0.000 3.313 497 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.659 497 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.659 497 G C -0.747 174.171 174.900 0.031 0.000 1.286 497 G CA -1.015 44.095 45.100 0.016 0.000 1.077 497 G HN 0.039 nan 8.290 nan 0.000 0.551 498 Q N 0.480 120.303 119.800 0.039 0.000 2.394 498 Q HA 0.297 4.637 4.340 -0.000 0.000 0.303 498 Q C 1.457 177.509 176.000 0.087 0.000 1.117 498 Q CA 0.240 56.074 55.803 0.052 0.000 0.966 498 Q CB 0.342 29.107 28.738 0.045 0.000 1.275 498 Q HN 1.015 nan 8.270 nan 0.000 0.429 499 I N 1.636 122.265 120.570 0.098 0.000 2.677 499 I HA 0.094 4.264 4.170 -0.000 0.000 0.305 499 I C 0.673 176.878 176.117 0.145 0.000 0.988 499 I CA -0.361 61.038 61.300 0.164 0.000 1.260 499 I CB 0.214 38.301 38.000 0.144 0.000 1.410 499 I HN 0.742 nan 8.210 nan 0.000 0.523 500 L N 2.724 124.051 121.223 0.174 0.000 1.982 500 L HA -0.117 4.223 4.340 -0.000 0.000 0.206 500 L C 1.331 178.229 176.870 0.045 0.000 1.078 500 L CA 1.704 56.579 54.840 0.059 0.000 0.749 500 L CB -0.717 41.308 42.059 -0.057 0.000 0.894 500 L HN 0.678 nan 8.230 nan 0.000 0.436 501 N N -1.152 117.583 118.700 0.059 0.000 2.214 501 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 501 N C -0.095 175.450 175.510 0.058 0.000 1.132 501 N CA -0.150 52.928 53.050 0.046 0.000 0.856 501 N CB 0.041 38.557 38.487 0.048 0.000 1.020 501 N HN -0.052 nan 8.380 nan 0.000 0.509 502 V N 1.734 121.693 119.914 0.075 0.000 3.178 502 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 502 V C 1.488 177.621 176.094 0.065 0.000 1.107 502 V CA 0.484 62.832 62.300 0.081 0.000 1.195 502 V CB 0.643 32.525 31.823 0.098 0.000 0.993 502 V HN 0.465 nan 8.190 nan 0.000 0.493 503 I N -0.895 119.724 120.570 0.080 0.000 4.453 503 I HA 0.555 4.725 4.170 -0.000 0.000 0.342 503 I C -0.119 176.049 176.117 0.086 0.000 1.341 503 I CA -0.169 61.179 61.300 0.079 0.000 1.217 503 I CB 0.193 38.247 38.000 0.090 0.000 1.545 503 I HN 0.619 nan 8.210 nan 0.000 0.557 504 K N 1.703 122.157 120.400 0.090 0.000 2.806 504 K HA 0.401 4.721 4.320 -0.000 0.000 0.293 504 K C -2.289 174.405 176.600 0.157 0.000 1.135 504 K CA -0.552 55.771 56.287 0.060 0.000 0.960 504 K CB 1.457 33.889 32.500 -0.114 0.000 1.374 504 K HN 0.259 nan 8.250 nan 0.000 0.400 505 L N 2.751 124.101 121.223 0.212 0.000 2.341 505 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 505 L C 1.375 178.469 176.870 0.373 0.000 1.009 505 L CA -0.587 54.449 54.840 0.328 0.000 0.819 505 L CB 1.763 43.939 42.059 0.195 0.000 1.323 505 L HN 0.933 nan 8.230 nan 0.000 0.425 506 A N 3.002 126.040 122.820 0.364 0.000 1.948 506 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 506 A C 0.784 178.401 177.584 0.056 0.000 1.177 506 A CA 1.479 53.563 52.037 0.079 0.000 0.636 506 A CB -0.487 18.425 19.000 -0.147 0.000 0.815 506 A HN 0.628 nan 8.150 nan 0.000 0.449 507 I N -4.724 115.884 120.570 0.064 0.000 2.769 507 I HA 0.805 4.975 4.170 -0.000 0.000 0.298 507 I C -1.378 174.769 176.117 0.050 0.000 1.128 507 I CA -0.753 60.570 61.300 0.039 0.000 1.031 507 I CB 2.368 40.374 38.000 0.010 0.000 1.235 507 I HN 0.041 nan 8.210 nan 0.000 0.423 508 E N 2.671 122.895 120.200 0.039 0.000 2.347 508 E HA 0.268 4.618 4.350 -0.000 0.000 0.285 508 E C -0.518 176.097 176.600 0.025 0.000 0.925 508 E CA -0.165 56.257 56.400 0.037 0.000 0.779 508 E CB 2.633 32.361 29.700 0.047 0.000 1.233 508 E HN 0.888 nan 8.360 nan 0.000 0.414 509 T N -1.072 113.495 114.554 0.021 0.000 3.075 509 T HA 0.343 4.693 4.350 -0.000 0.000 0.251 509 T C -1.120 173.589 174.700 0.014 0.000 0.979 509 T CA -0.035 62.077 62.100 0.020 0.000 1.033 509 T CB -0.300 68.580 68.868 0.021 0.000 1.104 509 T HN 0.358 nan 8.240 nan 0.000 0.473 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.107 63.100 0.012 0.000 0.800 510 P CB 0.000 31.706 31.700 0.011 0.000 0.726