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_A 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 0.671 119.386 118.700 0.024 0.000 2.862 22 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 22 N C -0.553 174.973 175.510 0.027 0.000 1.116 22 N CA 1.556 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 -3.883 111.834 115.700 0.030 0.000 3.807 23 S HA -0.224 4.245 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 2.012 60.233 58.200 0.035 0.000 0.852 23 S CB -2.458 60.761 63.200 0.032 0.000 0.924 23 S HN 1.873 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 0.827 175.568 174.700 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 2.903 111.748 108.800 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 0.227 175.208 174.900 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 1.707 116.324 114.554 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 62.112 62.100 0.079 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 2.978 125.796 122.820 -0.002 0.000 2.240 27 A HA 0.924 5.244 4.320 -0.000 0.000 0.292 27 A C 0.067 177.437 177.584 -0.357 0.000 1.121 27 A CA -0.701 51.214 52.037 -0.204 0.000 0.851 27 A CB 0.450 19.097 19.000 -0.588 0.000 1.167 27 A HN 1.050 nan 8.150 nan 0.000 0.503 28 A N -0.616 121.892 122.820 -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 -0.487 0.000 1.041 28 A CA -0.234 51.349 52.037 -0.756 0.000 0.718 28 A CB 1.044 19.152 19.000 -1.487 0.000 1.266 28 A HN 1.901 nan 8.150 nan 0.000 0.403 29 L N 1.929 122.928 121.223 -0.374 0.000 2.455 29 L HA 0.951 5.291 4.340 -0.000 0.000 0.264 29 L C -0.577 175.978 176.870 -0.525 0.000 0.968 29 L CA 0.040 54.762 54.840 -0.196 0.000 0.827 29 L CB 2.058 44.018 42.059 -0.165 0.000 1.317 29 L HN 1.466 nan 8.230 nan 0.000 0.407 30 A N 2.875 125.014 122.820 -1.135 0.000 2.422 30 A HA 1.005 5.325 4.320 -0.000 0.000 0.302 30 A C -0.410 176.681 177.584 -0.821 0.000 1.041 30 A CA 0.185 51.493 52.037 -1.215 0.000 0.708 30 A CB 1.517 19.316 19.000 -2.002 0.000 1.257 30 A HN 1.371 nan 8.150 nan 0.000 0.414 31 G N 0.800 109.104 108.800 -0.827 0.000 2.342 31 G HA2 0.470 4.430 3.960 -0.000 0.000 0.297 31 G HA3 0.470 4.430 3.960 -0.000 0.000 0.297 31 G C -1.619 172.295 174.900 -1.644 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 0.049 119.287 120.400 -1.937 0.000 2.276 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.283 32 K C -1.179 174.752 176.600 -1.116 0.000 1.044 32 K CA 0.105 55.684 56.287 -1.181 0.000 0.944 32 K CB 1.101 33.148 32.500 -0.755 0.000 1.012 32 K HN 0.322 nan 8.250 nan 0.000 0.472 33 F N 0.183 120.004 119.950 -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 0.034 0.000 1.069 33 F CA -1.013 56.968 58.000 -0.031 0.000 0.953 33 F CB 1.906 40.948 39.000 0.069 0.000 1.322 33 F HN 0.487 nan 8.300 nan 0.000 0.479 34 Q N 0.719 120.728 119.800 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 0.577 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 -0.391 175.952 176.519 -0.293 0.000 1.174 35 W CA -0.657 56.620 57.345 -0.113 0.000 1.224 35 W CB 1.208 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 4.352 112.624 108.800 -0.881 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 -2.451 171.237 174.900 -2.020 0.000 1.302 36 G CA -0.769 43.737 45.100 -0.990 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 0.124 62.928 63.100 -0.494 0.000 0.771 37 P CB 1.017 32.594 31.700 -0.205 0.000 0.858 38 A N 3.950 126.663 122.820 -0.178 0.000 2.301 38 A HA 0.513 4.833 4.320 -0.000 0.000 0.298 38 A C 0.009 177.529 177.584 -0.108 0.000 1.185 38 A CA -0.665 51.253 52.037 -0.199 0.000 0.830 38 A CB -0.723 18.229 19.000 -0.079 0.000 1.112 38 A HN 0.508 nan 8.150 nan 0.000 0.508 39 F N -0.311 119.451 119.950 -0.313 0.000 2.943 39 F HA -0.218 4.309 4.527 -0.000 0.000 0.258 39 F C 0.571 176.103 175.800 -0.445 0.000 0.995 39 F CA 1.455 59.126 58.000 -0.548 0.000 0.896 39 F CB -1.554 37.251 39.000 -0.324 0.000 0.821 39 F HN 0.732 nan 8.300 nan 0.000 0.828 40 Q N 0.318 119.954 119.800 -0.272 0.000 2.315 40 Q HA 0.472 4.812 4.340 -0.000 0.000 0.273 40 Q C -0.003 175.920 176.000 -0.129 0.000 1.053 40 Q CA -1.009 54.731 55.803 -0.104 0.000 0.817 40 Q CB 2.229 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 2.213 122.754 120.570 -0.048 0.000 2.528 41 I HA 0.052 4.222 4.170 -0.000 0.000 0.276 41 I C 0.290 176.418 176.117 0.020 0.000 1.056 41 I CA -0.128 61.148 61.300 -0.040 0.000 1.858 41 I CB -1.261 36.730 38.000 -0.016 0.000 1.448 41 I HN 0.323 nan 8.210 nan 0.000 0.776 42 K N 3.117 123.536 120.400 0.031 0.000 2.401 42 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 42 K C 0.060 176.699 176.600 0.065 0.000 1.018 42 K CA 0.256 56.584 56.287 0.069 0.000 0.981 42 K CB 0.512 33.084 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 4.850 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 54.940 55.803 0.039 0.000 0.895 43 Q CB 1.241 30.004 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 -0.115 175.991 176.094 0.021 0.000 1.062 44 V CA -0.404 61.902 62.300 0.010 0.000 0.901 44 V CB 2.127 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 0.526 175.252 174.700 0.042 0.000 0.979 45 T CA 0.049 62.178 62.100 0.047 0.000 1.004 45 T CB 0.253 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 1.155 119.873 118.700 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 1.342 39.848 38.487 0.032 0.000 1.203 46 N HN 0.126 nan 8.380 nan 0.000 0.565 47 E N 0.104 120.322 120.200 0.031 0.000 2.021 47 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 47 E C 0.989 177.634 176.600 0.075 0.000 0.980 47 E CA 0.714 57.137 56.400 0.039 0.000 0.803 47 E CB 0.087 29.842 29.700 0.092 0.000 0.766 47 E HN 0.283 nan 8.360 nan 0.000 0.449 48 V N 1.811 121.781 119.914 0.094 0.000 3.140 48 V HA -0.178 3.942 4.120 -0.000 0.000 0.269 48 V C 1.566 177.703 176.094 0.072 0.000 1.149 48 V CA 1.850 64.212 62.300 0.103 0.000 1.162 48 V CB -0.519 31.354 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 1.751 178.072 176.300 0.036 0.000 1.046 49 D CA 0.376 54.399 54.000 0.038 0.000 0.865 49 D CB 0.324 41.144 40.800 0.033 0.000 0.969 49 D HN 0.457 nan 8.370 nan 0.000 0.509 50 L N -1.453 119.779 121.223 0.015 0.000 2.202 50 L HA 0.189 4.529 4.340 -0.000 0.000 0.205 50 L C 1.926 178.828 176.870 0.052 0.000 1.083 50 L CA 0.873 55.723 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 64.552 62.300 0.157 0.000 1.018 51 V CB -1.268 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 0.250 118.975 118.700 0.041 0.000 2.133 52 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 52 N C 1.559 177.049 175.510 -0.033 0.000 1.012 52 N CA 2.624 55.673 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 -2.402 112.116 114.554 -0.061 0.000 3.018 53 T HA 0.242 4.592 4.350 -0.000 0.000 0.246 53 T C 0.030 174.381 174.700 -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 0.577 120.476 119.950 -0.086 0.000 2.671 54 F HA 0.431 4.958 4.527 -0.000 0.000 0.384 54 F C 1.754 177.563 175.800 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 0.106 109.015 108.800 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 -0.030 119.636 119.800 -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 -2.039 53.355 55.803 -0.682 0.000 0.861 56 Q CB 2.223 30.770 28.738 -0.318 0.000 1.344 56 Q HN 0.067 nan 8.270 nan 0.000 0.452 57 P HA 0.120 nan 4.420 nan 0.000 0.295 57 P C -0.365 176.843 177.300 -0.152 0.000 1.354 57 P CA -0.272 62.627 63.100 -0.335 0.000 0.814 57 P CB 0.665 32.129 31.700 -0.394 0.000 0.935 58 T N 0.130 114.658 114.554 -0.043 0.000 2.816 58 T HA 0.420 4.770 4.350 -0.000 0.000 0.282 58 T C 1.347 176.045 174.700 -0.003 0.000 0.993 58 T CA -0.285 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 0.167 122.984 122.820 -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 1.395 53.435 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 -2.082 118.137 120.200 0.032 0.000 2.511 60 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 60 E C 1.350 177.996 176.600 0.077 0.000 0.986 60 E CA 1.021 57.447 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 -0.788 113.824 114.554 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 2.798 125.706 122.820 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 -2.127 118.292 120.400 0.033 0.000 2.354 63 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 63 D C 1.401 177.588 176.300 -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 0.338 0.000 1.118 64 Y CA -0.271 57.898 58.100 0.115 0.000 1.215 64 Y CB -0.444 37.892 38.460 -0.207 0.000 1.118 64 Y HN -0.114 nan 8.280 nan 0.000 0.547 65 F N 0.442 120.626 119.950 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 0.129 0.000 1.133 65 F CA 1.702 59.832 58.000 0.217 0.000 1.188 65 F CB -0.308 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 0.282 120.145 119.600 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 31.462 32.600 0.193 0.000 1.300 66 M HN 0.229 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 -0.288 4.181 4.470 -0.000 0.000 0.234 67 S C 1.870 176.526 174.600 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 1.363 124.194 122.820 0.018 0.000 1.825 68 A HA -0.041 4.279 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 1.789 53.786 52.037 -0.067 0.000 0.609 68 A CB -1.059 17.787 19.000 -0.257 0.000 0.851 68 A HN 0.594 nan 8.150 nan 0.000 0.445 69 M N 0.843 120.389 119.600 -0.090 0.000 2.471 69 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 69 M C 1.591 177.966 176.300 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 0.879 176.562 175.510 0.288 0.000 1.242 70 N CA 0.695 53.851 53.050 0.177 0.000 0.884 70 N CB -0.947 37.647 38.487 0.178 0.000 1.007 70 N HN 0.639 nan 8.380 nan 0.000 0.450 71 F N 0.187 120.220 119.950 0.137 0.000 2.453 71 F HA 0.256 4.783 4.527 -0.000 0.000 0.284 71 F C 1.504 177.404 175.800 0.168 0.000 1.065 71 F CA -0.174 57.955 58.000 0.215 0.000 1.411 71 F CB 0.057 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 1.602 123.000 121.223 0.291 0.000 2.651 72 L HA -0.166 4.173 4.340 -0.000 0.000 0.236 72 L C 1.996 178.799 176.870 -0.112 0.000 1.173 72 L CA 1.148 56.043 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 -0.850 118.830 119.800 -0.200 0.000 2.172 73 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 73 Q C 1.294 176.947 176.000 -0.578 0.000 0.964 73 Q CA 1.370 56.924 55.803 -0.416 0.000 0.855 73 Q CB -0.133 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 -0.919 119.201 120.300 -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 57.386 58.100 -0.317 0.000 1.216 74 Y CB 0.530 38.808 38.460 -0.302 0.000 1.172 74 Y HN -0.121 nan 8.280 nan 0.000 0.529 75 G N 0.341 108.901 108.800 -0.399 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 -0.112 174.761 174.900 -0.045 0.000 1.145 75 G CA -0.511 44.334 45.100 -0.425 0.000 0.905 75 G HN 0.053 nan 8.290 nan 0.000 0.466 76 N N 0.741 119.474 118.700 0.056 0.000 2.324 76 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 76 N C 0.082 175.666 175.510 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 0.262 120.759 120.400 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 4.867 4.340 -0.000 0.000 0.270 78 L C -1.105 175.704 176.870 -0.101 0.000 0.983 78 L CA -0.456 54.314 54.840 -0.116 0.000 0.822 78 L CB 1.653 43.586 42.059 -0.209 0.000 1.285 78 L HN 0.320 nan 8.230 nan 0.000 0.409 79 R N 4.825 125.260 120.500 -0.107 0.000 2.338 79 R HA 0.689 5.029 4.340 -0.000 0.000 0.317 79 R C -0.710 175.578 176.300 -0.019 0.000 0.968 79 R CA -0.603 55.497 56.100 0.001 0.000 0.849 79 R CB 1.608 32.002 30.300 0.156 0.000 1.128 79 R HN 0.554 nan 8.270 nan 0.000 0.448 80 V N -0.337 119.535 119.914 -0.071 0.000 3.019 80 V HA 0.792 4.912 4.120 -0.000 0.000 0.317 80 V C -0.580 175.437 176.094 -0.129 0.000 1.094 80 V CA -0.761 61.440 62.300 -0.164 0.000 1.000 80 V CB 2.579 34.108 31.823 -0.491 0.000 1.060 80 V HN 0.353 nan 8.190 nan 0.000 0.443 81 V N 3.116 122.899 119.914 -0.218 0.000 2.567 81 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 81 V C -0.064 175.775 176.094 -0.426 0.000 1.047 81 V CA -0.566 61.515 62.300 -0.364 0.000 0.880 81 V CB 1.487 32.986 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 4.945 4.340 -0.000 0.000 0.304 82 R C 0.117 175.964 176.300 -0.755 0.000 1.072 82 R CA -0.045 55.856 56.100 -0.330 0.000 0.980 82 R CB 1.049 31.323 30.300 -0.044 0.000 0.986 82 R HN 0.841 nan 8.270 nan 0.000 0.448 83 A N 5.000 127.370 122.820 -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 -0.514 51.060 52.037 -0.772 0.000 0.876 83 A CB 0.995 19.665 19.000 -0.550 0.000 1.133 83 A HN 0.527 nan 8.150 nan 0.000 0.533 84 V N 2.388 122.037 119.914 -0.441 0.000 2.881 84 V HA 0.288 4.408 4.120 -0.000 0.000 0.316 84 V C -0.220 175.901 176.094 0.046 0.000 1.070 84 V CA -0.569 61.653 62.300 -0.129 0.000 0.976 84 V CB 2.181 33.975 31.823 -0.048 0.000 1.038 84 V HN 1.039 nan 8.190 nan 0.000 0.446 85 D N 1.693 122.108 120.400 0.025 0.000 2.308 85 D HA 0.262 4.901 4.640 -0.000 0.000 0.251 85 D C 0.904 177.244 176.300 0.067 0.000 1.127 85 D CA -0.045 53.985 54.000 0.049 0.000 0.876 85 D CB 1.034 41.843 40.800 0.016 0.000 1.176 85 D HN 0.377 nan 8.370 nan 0.000 0.446 86 R N 1.963 122.507 120.500 0.073 0.000 2.200 86 R HA 0.019 4.359 4.340 -0.000 0.000 0.208 86 R C 0.648 176.946 176.300 -0.003 0.000 1.033 86 R CA 0.601 56.721 56.100 0.033 0.000 1.000 86 R CB 0.330 30.611 30.300 -0.031 0.000 0.906 86 R HN 0.560 nan 8.270 nan 0.000 0.462 87 D N -1.024 119.376 120.400 0.001 0.000 2.289 87 D HA -0.048 4.592 4.640 -0.000 0.000 0.207 87 D C 1.041 177.336 176.300 -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 -3.004 111.547 114.554 -0.004 0.000 3.328 88 T HA 0.495 4.845 4.350 -0.000 0.000 0.305 88 T C 0.366 175.063 174.700 -0.006 0.000 0.939 88 T CA -0.504 61.593 62.100 -0.005 0.000 0.950 88 T CB 0.398 69.265 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 -0.199 177.371 177.584 -0.024 0.000 1.094 89 A CA -0.433 51.596 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 1.326 121.713 120.400 -0.021 0.000 2.501 90 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 90 K C -1.540 175.044 176.600 -0.026 0.000 0.934 90 K CA -0.491 55.778 56.287 -0.029 0.000 0.797 90 K CB 1.769 34.262 32.500 -0.011 0.000 1.270 90 K HN 0.759 nan 8.250 nan 0.000 0.431 91 N N 0.348 119.012 118.700 -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 0.813 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 0.201 4.671 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 -0.373 57.862 58.200 0.060 0.000 1.047 92 S CB 0.163 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 0.968 116.696 115.700 0.047 0.000 2.656 93 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 93 S C -3.012 171.611 174.600 0.039 0.000 1.168 93 S CA -1.357 56.880 58.200 0.062 0.000 0.817 93 S CB 1.510 64.783 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 1.073 178.343 177.300 -0.050 0.000 1.203 94 P CA 0.028 63.114 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 0.377 120.924 120.570 -0.037 0.000 2.315 95 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 95 I C 1.942 177.982 176.117 -0.128 0.000 1.117 95 I CA 1.029 62.272 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 1.837 179.388 177.584 -0.056 0.000 1.317 96 A CA 0.884 52.893 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 0.622 175.447 174.900 -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 -0.230 0.000 1.340 98 N CA 0.395 53.239 53.050 -0.345 0.000 0.865 98 N CB 0.733 38.627 38.487 -0.988 0.000 1.062 98 N HN 0.266 nan 8.380 nan 0.000 0.452 99 I N -0.079 120.418 120.570 -0.121 0.000 2.512 99 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 99 I C -0.392 175.843 176.117 0.197 0.000 1.069 99 I CA -0.664 60.640 61.300 0.006 0.000 1.056 99 I CB 1.169 39.176 38.000 0.012 0.000 1.229 99 I HN 0.286 nan 8.210 nan 0.000 0.429 100 E N 6.860 127.125 120.200 0.108 0.000 2.696 100 E HA -0.049 4.301 4.350 -0.000 0.000 0.270 100 E C -1.500 175.239 176.600 0.232 0.000 0.958 100 E CA 1.157 57.636 56.400 0.131 0.000 0.964 100 E CB 0.268 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 -2.165 118.183 120.300 0.079 0.000 2.521 101 Y HA 0.388 4.938 4.550 -0.000 0.000 0.326 101 Y C -1.460 174.434 175.900 -0.010 0.000 1.176 101 Y CA -0.920 57.200 58.100 0.033 0.000 1.079 101 Y CB 1.016 39.504 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 -0.401 174.357 174.700 0.098 0.000 0.988 102 T CA -0.567 61.536 62.100 0.005 0.000 0.993 102 T CB 1.157 70.008 68.868 -0.029 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.068 123.698 120.570 0.099 0.000 2.624 103 I HA -0.014 4.156 4.170 -0.000 0.000 0.307 103 I C 1.594 177.728 176.117 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 37.866 38.000 0.053 0.000 1.521 103 I HN 0.701 nan 8.210 nan 0.000 0.805 104 S N 2.754 118.472 115.700 0.030 0.000 2.387 104 S HA -0.118 4.352 4.470 -0.000 0.000 0.230 104 S C 0.885 175.495 174.600 0.016 0.000 1.035 104 S CA 1.388 59.600 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 2.489 117.053 114.554 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 60.906 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 0.761 178.092 177.300 0.052 0.000 1.193 106 P CA 0.124 63.227 63.100 0.005 0.000 0.763 106 P CB 0.506 32.217 31.700 0.017 0.000 0.810 107 G N 2.280 111.123 108.800 0.071 0.000 2.468 107 G HA2 0.442 4.402 3.960 -0.000 0.000 0.264 107 G HA3 0.442 4.402 3.960 -0.000 0.000 0.264 107 G C -0.345 174.724 174.900 0.282 0.000 1.460 107 G CA -0.130 45.165 45.100 0.324 0.000 1.060 107 G HN 0.626 nan 8.290 nan 0.000 0.543 108 S N -2.588 113.290 115.700 0.296 0.000 2.618 108 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 108 S C 0.083 174.711 174.600 0.048 0.000 1.138 108 S CA -0.236 58.052 58.200 0.146 0.000 0.844 108 S CB 1.812 65.050 63.200 0.063 0.000 1.127 108 S HN 0.700 nan 8.310 nan 0.000 0.474 109 N N -0.489 118.226 118.700 0.025 0.000 2.681 109 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 109 N C -0.851 174.594 175.510 -0.108 0.000 1.133 109 N CA 1.178 54.198 53.050 -0.049 0.000 0.732 109 N CB -1.725 36.703 38.487 -0.100 0.000 1.107 109 N HN 0.705 nan 8.380 nan 0.000 0.559 110 Y N 0.089 120.394 120.300 0.007 0.000 2.289 110 Y HA 0.553 5.103 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 0.380 58.484 58.100 0.006 0.000 1.478 110 Y CB 0.733 39.197 38.460 0.006 0.000 1.378 110 Y HN 0.153 nan 8.280 nan 0.000 0.558 111 A N -0.429 122.508 122.820 0.195 0.000 2.507 111 A HA 0.557 4.877 4.320 -0.000 0.000 0.284 111 A C 0.139 177.777 177.584 0.090 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 1.569 177.683 176.094 0.034 0.000 1.082 112 V CA 1.979 64.306 62.300 0.044 0.000 1.105 112 V CB 0.042 31.888 31.823 0.037 0.000 0.713 112 V HN 1.081 nan 8.190 nan 0.000 0.473 113 G N -0.599 108.221 108.800 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 -0.538 174.379 174.900 0.029 0.000 1.141 113 G CA -0.334 44.780 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 0.205 4.845 4.640 -0.000 0.000 0.251 114 D C 0.451 176.773 176.300 0.037 0.000 1.137 114 D CA 0.388 54.424 54.000 0.060 0.000 0.879 114 D CB 1.489 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 2.004 122.422 120.400 0.030 0.000 2.185 115 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 115 K C 0.178 176.785 176.600 0.012 0.000 1.013 115 K CA -0.472 55.823 56.287 0.014 0.000 0.943 115 K CB 1.396 33.903 32.500 0.012 0.000 0.998 115 K HN 0.342 nan 8.250 nan 0.000 0.468 116 I N 0.818 121.386 120.570 -0.005 0.000 2.603 116 I HA 0.262 4.432 4.170 -0.000 0.000 0.300 116 I C -0.283 175.836 176.117 0.004 0.000 1.017 116 I CA -0.735 60.559 61.300 -0.010 0.000 1.098 116 I CB 2.332 40.305 38.000 -0.046 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.076 118.641 114.554 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 4.586 124.548 119.914 0.080 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 -0.769 61.612 62.300 0.135 0.000 0.870 118 V CB 0.999 32.923 31.823 0.168 0.000 0.984 118 V HN 0.712 nan 8.190 nan 0.000 0.451 119 K N 3.541 124.028 120.400 0.144 0.000 2.156 119 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 119 K C -1.324 175.318 176.600 0.070 0.000 0.950 119 K CA -0.883 55.461 56.287 0.095 0.000 0.849 119 K CB 2.042 34.568 32.500 0.043 0.000 1.100 119 K HN 0.579 nan 8.250 nan 0.000 0.434 120 Y N 2.573 122.731 120.300 -0.238 0.000 2.491 120 Y HA 0.164 4.714 4.550 -0.000 0.000 0.334 120 Y C -0.538 175.149 175.900 -0.354 0.000 0.969 120 Y CA -1.534 56.227 58.100 -0.565 0.000 1.241 120 Y CB -0.088 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 4.703 124.445 119.914 -0.287 0.000 5.981 121 V HA -0.294 3.826 4.120 -0.000 0.000 0.233 121 V C 0.835 176.811 176.094 -0.198 0.000 0.653 121 V CA 1.186 63.309 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 0.953 nan 8.190 nan 0.000 0.464 122 S N -0.231 115.406 115.700 -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 59.667 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 0.867 121.224 120.400 -0.071 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 53.406 54.000 -0.049 0.000 0.888 123 D CB 1.296 42.039 40.800 -0.094 0.000 1.483 123 D HN -0.044 nan 8.370 nan 0.000 0.533 124 D N 3.519 123.929 120.400 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 4.269 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 0.237 0.000 1.425 125 I HN 0.266 nan 8.210 nan 0.000 0.461 126 E N 1.438 121.701 120.200 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 56.277 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 0.854 115.425 114.554 0.030 0.000 3.399 127 T HA 0.301 4.651 4.350 -0.000 0.000 0.305 127 T C -0.034 174.670 174.700 0.007 0.000 0.983 127 T CA -0.488 61.624 62.100 0.021 0.000 0.967 127 T CB 0.071 68.952 68.868 0.021 0.000 1.186 127 T HN 0.280 nan 8.240 nan 0.000 0.504 128 E N 1.165 121.364 120.200 -0.000 0.000 2.583 128 E HA 0.334 4.684 4.350 -0.000 0.000 0.213 128 E C 1.182 177.768 176.600 -0.023 0.000 0.989 128 E CA -0.182 56.209 56.400 -0.014 0.000 0.991 128 E CB 0.680 30.366 29.700 -0.023 0.000 1.040 128 E HN 0.698 nan 8.360 nan 0.000 0.481 129 G N 1.978 110.766 108.800 -0.020 0.000 2.699 129 G HA2 0.263 4.223 3.960 -0.000 0.000 0.246 129 G HA3 0.263 4.223 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 44.914 45.100 -0.034 0.000 0.866 129 G HN 0.090 nan 8.290 nan 0.000 0.572 130 K N 0.165 120.539 120.400 -0.043 0.000 2.584 130 K HA 0.243 4.563 4.320 -0.000 0.000 0.260 130 K C -0.788 175.788 176.600 -0.040 0.000 0.949 130 K CA -0.949 55.320 56.287 -0.030 0.000 0.888 130 K CB 0.880 33.372 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 -0.158 4.012 4.170 -0.000 0.000 0.303 131 I C 1.046 177.157 176.117 -0.010 0.000 1.224 131 I CA 1.005 62.277 61.300 -0.047 0.000 1.442 131 I CB 0.511 38.487 38.000 -0.039 0.000 1.328 131 I HN 1.023 nan 8.210 nan 0.000 0.578 132 T N 0.455 115.007 114.554 -0.002 0.000 3.041 132 T HA 0.229 4.578 4.350 -0.000 0.000 0.276 132 T C 0.110 174.829 174.700 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 1.373 121.585 120.200 0.021 0.000 2.313 133 E HA 0.494 4.844 4.350 -0.000 0.000 0.280 133 E C -1.187 175.426 176.600 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 32.117 29.700 0.026 0.000 1.286 133 E HN 0.280 nan 8.360 nan 0.000 0.401 134 V N 0.790 120.722 119.914 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 -0.679 61.644 62.300 0.038 0.000 1.020 134 V CB 1.644 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 1.312 121.735 120.400 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 0.543 41.360 40.800 0.027 0.000 1.166 135 D HN 0.752 nan 8.370 nan 0.000 0.584 136 A N -0.920 121.917 122.820 0.029 0.000 2.067 136 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 136 A C 1.104 178.705 177.584 0.028 0.000 1.156 136 A CA 1.147 53.200 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 -1.527 118.893 120.400 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 0.961 54.983 54.000 0.036 0.000 0.842 137 D CB 0.289 41.110 40.800 0.035 0.000 0.947 137 D HN 0.534 nan 8.370 nan 0.000 0.509 138 G N 1.305 110.147 108.800 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 0.218 175.214 174.900 0.160 0.000 0.979 138 G CA -0.259 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 0.693 121.156 120.400 0.105 0.000 2.472 139 K HA 0.304 4.624 4.320 -0.000 0.000 0.280 139 K C 1.048 177.676 176.600 0.048 0.000 1.028 139 K CA -0.028 56.310 56.287 0.085 0.000 1.045 139 K CB 0.547 33.079 32.500 0.053 0.000 0.902 139 K HN 0.380 nan 8.250 nan 0.000 0.478 140 I N 4.698 125.266 120.570 -0.004 0.000 2.505 140 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 140 I C 1.202 177.303 176.117 -0.027 0.000 1.104 140 I CA 0.148 61.409 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 0.425 177.034 176.600 0.016 0.000 1.061 141 K CA 0.571 56.861 56.287 0.004 0.000 0.980 141 K CB 0.550 33.054 32.500 0.007 0.000 0.888 141 K HN 0.515 nan 8.250 nan 0.000 0.502 142 K N 0.975 121.385 120.400 0.016 0.000 2.542 142 K HA 0.327 4.647 4.320 -0.000 0.000 0.259 142 K C -1.283 175.316 176.600 -0.002 0.000 0.932 142 K CA -0.516 55.796 56.287 0.042 0.000 0.820 142 K CB 1.636 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 -1.471 174.572 176.117 -0.123 0.000 1.103 143 I CA -0.889 60.317 61.300 -0.156 0.000 0.985 143 I CB 2.446 40.247 38.000 -0.332 0.000 1.240 143 I HN 0.561 nan 8.210 nan 0.000 0.464 144 N N 2.939 121.585 118.700 -0.091 0.000 2.571 144 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 144 N C -1.842 173.653 175.510 -0.024 0.000 1.138 144 N CA -0.358 52.701 53.050 0.015 0.000 0.859 144 N CB 1.909 40.470 38.487 0.123 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.933 124.488 120.570 -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 1.579 39.551 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 0.666 32.337 31.700 -0.048 0.000 0.881 147 T N -1.631 112.911 114.554 -0.020 0.000 3.044 147 T HA 0.310 4.660 4.350 -0.000 0.000 0.260 147 T C 1.519 176.209 174.700 -0.017 0.000 1.019 147 T CA 0.336 62.421 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 0.223 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 1.862 53.894 52.037 -0.009 0.000 0.629 148 A CB -0.620 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 -0.296 120.110 120.400 0.011 0.000 2.057 149 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 149 K C 1.916 178.548 176.600 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 0.492 121.083 120.570 0.035 0.000 2.233 150 I HA -0.165 4.004 4.170 -0.000 0.000 0.243 150 I C 2.562 178.634 176.117 -0.075 0.000 1.093 150 I CA 1.095 62.401 61.300 0.011 0.000 1.380 150 I CB -0.931 37.028 38.000 -0.068 0.000 1.067 150 I HN 0.078 nan 8.210 nan 0.000 0.413 151 I N 1.184 121.721 120.570 -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 0.090 0.000 1.082 151 I HN 0.150 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 -0.252 4.068 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 2.328 54.353 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 -0.149 4.171 4.320 -0.000 0.000 0.208 153 K C 1.910 178.625 176.600 0.193 0.000 1.047 153 K CA 2.017 58.409 56.287 0.175 0.000 0.927 153 K CB -0.590 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 0.525 123.431 122.820 0.143 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 53.896 52.037 0.115 0.000 0.616 154 A CB -0.469 18.447 19.000 -0.140 0.000 0.823 154 A HN 0.359 nan 8.150 nan 0.000 0.442 155 K N -0.443 119.965 120.400 0.013 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 1.600 57.838 56.287 -0.082 0.000 0.928 155 K CB -0.139 32.195 32.500 -0.277 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 1.121 57.553 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 -3.623 116.365 119.914 0.124 0.000 2.925 157 V HA 0.525 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 0.048 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 1.133 110.006 108.800 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 0.309 175.292 174.900 0.138 0.000 0.982 158 G CA 0.793 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 -0.186 120.116 120.200 0.170 0.000 2.368 159 E HA 0.395 4.745 4.350 -0.000 0.000 0.283 159 E C -0.599 176.058 176.600 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 0.311 0.000 1.518 159 E HN 0.567 nan 8.360 nan 0.000 0.456 160 Y N 0.578 120.856 120.300 -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 -2.222 55.826 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 -0.002 nan 8.280 nan 0.000 0.446 161 P HA 0.109 nan 4.420 nan 0.000 0.266 161 P C 1.030 178.112 177.300 -0.362 0.000 1.381 161 P CA 0.444 63.084 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 -0.351 114.082 114.554 -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 1.052 63.088 62.100 -0.106 0.000 1.183 162 T CB -1.132 67.723 68.868 -0.021 0.000 0.863 162 T HN 0.046 nan 8.240 nan 0.000 0.418 163 L N -0.274 120.880 121.223 -0.115 0.000 7.692 163 L HA -0.194 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 -1.740 40.029 42.059 -0.482 0.000 2.877 163 L HN 0.908 nan 8.230 nan 0.000 1.176 164 G N -1.547 107.354 108.800 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 0.844 116.704 115.700 0.265 0.000 2.345 165 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 165 S C 1.843 176.539 174.600 0.158 0.000 1.031 165 S CA 1.819 60.126 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 0.631 nan 8.310 nan 0.000 0.451 166 N N -0.498 118.302 118.700 0.167 0.000 2.236 166 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 166 N C -1.042 174.451 175.510 -0.029 0.000 1.114 166 N CA 0.020 53.094 53.050 0.039 0.000 0.859 166 N CB 0.056 38.568 38.487 0.042 0.000 0.982 166 N HN 0.402 nan 8.380 nan 0.000 0.493 167 W N 2.207 123.594 121.300 0.145 0.000 2.338 167 W HA 0.368 5.028 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 57.043 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 0.006 114.716 114.554 0.260 0.000 2.896 168 T HA 0.888 5.238 4.350 -0.000 0.000 0.297 168 T C -0.939 173.846 174.700 0.142 0.000 1.108 168 T CA -1.146 61.051 62.100 0.162 0.000 1.004 168 T CB 1.990 70.916 68.868 0.097 0.000 1.159 168 T HN 0.583 nan 8.240 nan 0.000 0.499 169 A N 1.762 124.641 122.820 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 20.099 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 30.907 29.700 0.041 0.000 1.275 170 E HN 0.397 nan 8.360 nan 0.000 0.427 171 I N 0.581 121.180 120.570 0.049 0.000 3.223 171 I HA 0.166 4.335 4.170 -0.000 0.000 0.317 171 I C 0.996 177.154 176.117 0.068 0.000 1.050 171 I CA -0.762 60.577 61.300 0.066 0.000 1.069 171 I CB 1.192 39.282 38.000 0.150 0.000 1.406 171 I HN 0.602 nan 8.210 nan 0.000 0.596 172 S N 1.117 116.862 115.700 0.076 0.000 2.569 172 S HA 0.029 4.499 4.470 -0.000 0.000 0.274 172 S C 0.335 174.967 174.600 0.053 0.000 1.353 172 S CA -0.288 57.946 58.200 0.056 0.000 1.023 172 S CB 0.195 63.428 63.200 0.056 0.000 0.876 172 S HN 0.676 nan 8.310 nan 0.000 0.540 173 S N 2.193 117.914 115.700 0.034 0.000 2.217 173 S HA 0.590 5.060 4.470 -0.000 0.000 0.168 173 S C -0.464 174.144 174.600 0.014 0.000 1.526 173 S CA -0.545 57.670 58.200 0.025 0.000 1.150 173 S CB -0.183 63.030 63.200 0.021 0.000 1.158 173 S HN 0.731 nan 8.310 nan 0.000 0.473 174 S N 0.808 116.514 115.700 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 57.623 58.200 0.018 0.000 0.826 174 S CB 0.845 64.048 63.200 0.006 0.000 1.139 174 S HN 0.992 nan 8.310 nan 0.000 0.474 175 S N 0.899 116.616 115.700 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 0.011 63.273 63.200 0.103 0.000 0.941 175 S HN 0.791 nan 8.310 nan 0.000 0.576 176 S N 1.022 116.680 115.700 -0.070 0.000 2.365 176 S HA 0.101 4.571 4.470 -0.000 0.000 0.225 176 S C 1.169 175.655 174.600 -0.191 0.000 1.039 176 S CA 1.118 59.259 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 0.360 108.941 108.800 -0.364 0.000 2.509 177 G HA2 0.678 4.638 3.960 -0.000 0.000 0.328 177 G HA3 0.678 4.638 3.960 -0.000 0.000 0.328 177 G C -0.387 173.908 174.900 -1.008 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 -2.151 118.679 121.223 -0.655 0.000 2.422 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.263 178 L C 1.332 178.247 176.870 0.076 0.000 1.110 178 L CA -0.313 54.345 54.840 -0.303 0.000 1.065 178 L CB 1.092 43.071 42.059 -0.134 0.000 1.701 178 L HN 1.551 nan 8.230 nan 0.000 0.548 179 A N -1.128 121.780 122.820 0.146 0.000 3.661 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.269 179 A C 0.738 178.432 177.584 0.184 0.000 1.056 179 A CA 0.891 53.026 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 0.653 4.973 4.320 -0.000 0.000 0.273 180 A C 0.185 177.788 177.584 0.032 0.000 1.091 180 A CA 0.497 52.574 52.037 0.066 0.000 0.817 180 A CB 0.965 19.824 19.000 -0.235 0.000 1.069 180 A HN 1.444 nan 8.150 nan 0.000 0.492 181 V N 2.402 122.313 119.914 -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 0.013 0.000 0.879 181 V CB 0.751 32.591 31.823 0.028 0.000 1.040 181 V HN 0.699 nan 8.190 nan 0.000 0.457 182 I N 3.078 123.653 120.570 0.008 0.000 2.385 182 I HA 0.532 4.702 4.170 -0.000 0.000 0.294 182 I C 0.311 176.466 176.117 0.064 0.000 0.988 182 I CA -0.028 61.292 61.300 0.034 0.000 1.265 182 I CB 1.855 39.849 38.000 -0.009 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 -0.236 174.536 174.700 0.120 0.000 0.992 183 T CA -0.500 61.656 62.100 0.093 0.000 0.957 183 T CB 0.930 69.840 68.868 0.069 0.000 0.942 183 T HN 0.278 nan 8.240 nan 0.000 0.439 184 L N 3.121 124.414 121.223 0.117 0.000 2.276 184 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 184 L C 1.162 178.082 176.870 0.083 0.000 1.061 184 L CA -0.412 54.500 54.840 0.120 0.000 0.807 184 L CB 1.020 43.156 42.059 0.129 0.000 1.177 184 L HN 0.778 nan 8.230 nan 0.000 0.429 185 G N 3.276 112.111 108.800 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 -0.440 174.431 174.900 -0.047 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 0.478 4.798 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 55.351 56.287 -0.155 0.000 0.922 186 K CB 1.472 33.881 32.500 -0.152 0.000 1.127 186 K HN 0.064 nan 8.250 nan 0.000 0.469 187 I N 2.882 123.292 120.570 -0.267 0.000 2.436 187 I HA 0.062 4.232 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 -0.235 60.915 61.300 -0.251 0.000 1.372 187 I CB -0.425 37.372 38.000 -0.338 0.000 1.408 187 I HN 0.478 nan 8.210 nan 0.000 0.516 188 I N 6.211 126.689 120.570 -0.155 0.000 2.587 188 I HA 0.029 4.199 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 0.075 61.302 61.300 -0.122 0.000 1.410 188 I CB -0.009 37.921 38.000 -0.116 0.000 1.392 188 I HN 0.607 nan 8.210 nan 0.000 0.545 189 T N -0.487 114.010 114.554 -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 61.764 62.100 -0.061 0.000 0.962 189 T CB -0.057 68.768 68.868 -0.073 0.000 1.018 189 T HN 0.559 nan 8.240 nan 0.000 0.521 190 D N 2.725 123.108 120.400 -0.029 0.000 2.365 190 D HA 0.219 4.859 4.640 -0.000 0.000 0.237 190 D C 1.532 177.838 176.300 0.010 0.000 1.190 190 D CA -0.030 53.965 54.000 -0.009 0.000 0.867 190 D CB 1.433 42.229 40.800 -0.006 0.000 1.050 190 D HN 0.225 nan 8.370 nan 0.000 0.491 191 S N 2.994 118.704 115.700 0.016 0.000 2.420 191 S HA -0.104 4.366 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 1.020 59.245 58.200 0.041 0.000 0.991 191 S CB -0.554 62.660 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 -0.156 3.804 3.960 -0.000 0.000 0.244 192 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 192 G C -0.326 174.553 174.900 -0.036 0.000 1.022 192 G CA 0.239 45.392 45.100 0.089 0.000 0.741 192 G HN 1.089 nan 8.290 nan 0.000 0.508 193 I N -0.769 119.702 120.570 -0.164 0.000 2.753 193 I HA 0.688 4.858 4.170 -0.000 0.000 0.291 193 I C -1.381 174.591 176.117 -0.243 0.000 1.425 193 I CA -1.157 59.922 61.300 -0.368 0.000 1.039 193 I CB 1.780 39.330 38.000 -0.750 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 0.621 4.961 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 1.465 43.457 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 -0.226 0.000 2.272 195 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 195 L C 0.371 177.139 176.870 -0.170 0.000 1.032 195 L CA -0.109 54.572 54.840 -0.266 0.000 0.810 195 L CB 1.385 43.198 42.059 -0.409 0.000 1.205 195 L HN 0.793 nan 8.230 nan 0.000 0.422 196 A N 3.224 125.971 122.820 -0.122 0.000 2.336 196 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 196 A C 0.322 177.895 177.584 -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 18.960 19.000 0.048 0.000 1.096 196 A HN 0.612 nan 8.150 nan 0.000 0.441 197 E N -0.196 120.009 120.200 0.009 0.000 2.421 197 E HA 0.279 4.629 4.350 -0.000 0.000 0.253 197 E C 0.668 177.244 176.600 -0.039 0.000 1.277 197 E CA -0.148 56.269 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 1.061 121.624 120.570 -0.012 0.000 3.854 198 I HA -0.081 4.089 4.170 -0.000 0.000 0.312 198 I C 1.760 177.875 176.117 -0.003 0.000 1.273 198 I CA 0.542 61.828 61.300 -0.023 0.000 1.298 198 I CB -0.987 37.023 38.000 0.017 0.000 1.071 198 I HN 0.593 nan 8.210 nan 0.000 0.428 199 E N 1.401 121.601 120.200 0.000 0.000 2.160 199 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 199 E C 0.768 177.361 176.600 -0.013 0.000 0.991 199 E CA 1.349 57.748 56.400 -0.002 0.000 0.810 199 E CB -0.413 29.281 29.700 -0.010 0.000 0.742 199 E HN 0.416 nan 8.360 nan 0.000 0.466 200 N N 0.978 119.657 118.700 -0.034 0.000 2.254 200 N HA 0.189 4.929 4.740 -0.000 0.000 0.190 200 N C 1.323 176.790 175.510 -0.073 0.000 1.107 200 N CA 0.758 53.777 53.050 -0.051 0.000 0.869 200 N CB 0.276 38.721 38.487 -0.071 0.000 0.983 200 N HN 0.289 nan 8.380 nan 0.000 0.487 201 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 2.684 54.625 52.037 -0.160 0.000 1.062 201 A CB -1.101 17.906 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 0.664 nan 8.360 nan 0.000 0.530 203 A N 0.910 123.749 122.820 0.031 0.000 2.066 203 A HA 0.276 4.595 4.320 -0.000 0.000 0.218 203 A C 2.324 179.902 177.584 -0.011 0.000 1.157 203 A CA 1.174 53.221 52.037 0.017 0.000 0.670 203 A CB -0.384 18.617 19.000 0.002 0.000 0.804 203 A HN 0.394 nan 8.150 nan 0.000 0.453 204 A N -1.194 121.589 122.820 -0.062 0.000 2.030 204 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 204 A C 1.899 179.399 177.584 -0.139 0.000 1.164 204 A CA 0.933 52.898 52.037 -0.120 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 0.228 119.787 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.103 176.546 176.300 0.238 0.000 1.092 205 M CA 1.045 56.379 55.300 0.058 0.000 1.087 205 M CB -0.872 31.827 32.600 0.165 0.000 1.453 205 M HN 0.225 nan 8.290 nan 0.000 0.509 206 T N 0.285 114.928 114.554 0.149 0.000 3.624 206 T HA 0.498 4.848 4.350 -0.000 0.000 0.244 206 T C -0.100 174.666 174.700 0.111 0.000 1.063 206 T CA -0.276 61.911 62.100 0.145 0.000 1.252 206 T CB 0.307 69.240 68.868 0.108 0.000 1.021 206 T HN 0.207 nan 8.240 nan 0.000 0.590 207 A N 1.321 124.227 122.820 0.143 0.000 2.292 207 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 207 A C 1.738 179.387 177.584 0.109 0.000 1.206 207 A CA -0.703 51.394 52.037 0.099 0.000 0.835 207 A CB 0.501 19.547 19.000 0.077 0.000 1.164 207 A HN 0.486 nan 8.150 nan 0.000 0.505 208 V N 0.620 120.570 119.914 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 -0.497 119.937 120.400 0.057 0.000 2.104 209 D HA -0.155 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 2.032 56.067 54.000 0.059 0.000 0.830 209 D CB -0.227 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 2.182 122.122 119.950 -0.016 0.000 2.031 210 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 210 F C 2.482 178.273 175.800 -0.015 0.000 1.133 210 F CA 1.338 59.329 58.000 -0.016 0.000 1.188 210 F CB -0.501 38.487 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 1.302 57.010 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 1.591 124.346 122.820 -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 1.626 53.601 52.037 -0.103 0.000 0.617 212 A CB -0.697 18.262 19.000 -0.068 0.000 0.827 212 A HN 0.475 nan 8.150 nan 0.000 0.443 213 N N -0.128 118.487 118.700 -0.141 0.000 2.309 213 N HA -0.026 4.714 4.740 -0.000 0.000 0.182 213 N C 1.578 177.030 175.510 -0.098 0.000 1.018 213 N CA 0.928 53.935 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 41.627 42.059 -0.424 0.000 0.908 214 L HN 0.128 nan 8.230 nan 0.000 0.438 215 K N 0.031 120.334 120.400 -0.162 0.000 2.044 215 K HA -0.120 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 0.699 56.912 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 0.263 120.529 120.400 -0.222 0.000 2.074 216 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 216 K C 0.708 177.056 176.600 -0.419 0.000 1.048 216 K CA 1.638 57.677 56.287 -0.413 0.000 0.926 216 K CB 0.020 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 -0.178 120.126 120.300 0.006 0.000 2.658 217 Y HA 0.288 4.838 4.550 -0.000 0.000 0.276 217 Y C 0.675 176.580 175.900 0.008 0.000 1.167 217 Y CA -0.161 57.978 58.100 0.064 0.000 1.230 217 Y CB 0.698 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 2.298 111.126 108.800 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 0.041 174.864 174.900 -0.128 0.000 0.926 218 G CA 0.990 46.087 45.100 -0.004 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.360 117.034 120.570 -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 -3.538 57.376 61.300 -0.642 0.000 0.987 219 I CB 2.173 39.863 38.000 -0.517 0.000 1.236 219 I HN -0.103 nan 8.210 nan 0.000 0.453 220 P HA 0.257 nan 4.420 nan 0.000 0.278 220 P C -0.067 176.867 177.300 -0.609 0.000 1.266 220 P CA -0.332 62.125 63.100 -1.073 0.000 0.807 220 P CB 0.746 31.263 31.700 -1.971 0.000 1.094 221 G N 0.223 108.815 108.800 -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 -0.682 174.198 174.900 -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 2.284 122.128 119.914 -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 -0.779 61.464 62.300 -0.094 0.000 0.840 222 V CB 1.200 32.929 31.823 -0.155 0.000 0.994 222 V HN 0.512 nan 8.190 nan 0.000 0.431 223 V N 2.035 121.945 119.914 -0.007 0.000 3.001 223 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 223 V C 0.311 176.401 176.094 -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 1.042 nan 8.190 nan 0.000 0.434 224 A N 1.638 124.468 122.820 0.017 0.000 2.498 224 A HA 0.456 4.776 4.320 -0.000 0.000 0.239 224 A C 0.810 178.335 177.584 -0.098 0.000 1.068 224 A CA 0.290 52.353 52.037 0.043 0.000 0.766 224 A CB 0.194 19.283 19.000 0.149 0.000 1.003 224 A HN 1.545 nan 8.150 nan 0.000 0.497 225 L N 1.568 122.669 121.223 -0.204 0.000 2.217 225 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 225 L C -0.337 176.098 176.870 -0.726 0.000 1.107 225 L CA 1.493 56.032 54.840 -0.501 0.000 0.783 225 L CB -0.327 41.314 42.059 -0.697 0.000 0.919 225 L HN 0.619 nan 8.230 nan 0.000 0.442 226 Y N -0.340 119.625 120.300 -0.559 0.000 2.409 226 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 226 Y C -2.202 173.290 175.900 -0.680 0.000 0.973 226 Y CA -4.085 53.477 58.100 -0.896 0.000 1.064 226 Y CB 0.438 37.776 38.460 -1.870 0.000 1.207 226 Y HN -0.114 nan 8.280 nan 0.000 0.452 227 P HA 0.312 nan 4.420 nan 0.000 0.265 227 P C -0.124 177.164 177.300 -0.021 0.000 1.187 227 P CA 0.507 63.537 63.100 -0.116 0.000 0.766 227 P CB 0.590 32.233 31.700 -0.095 0.000 0.820 228 G N 2.084 110.956 108.800 0.120 0.000 2.306 228 G HA2 0.009 3.969 3.960 -0.000 0.000 0.340 228 G HA3 0.009 3.969 3.960 -0.000 0.000 0.340 228 G C 0.093 175.158 174.900 0.276 0.000 1.630 228 G CA -0.660 44.600 45.100 0.267 0.000 0.937 228 G HN 0.304 nan 8.290 nan 0.000 0.693 229 E N 0.754 121.058 120.200 0.173 0.000 2.401 229 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 229 E C 2.474 179.133 176.600 0.099 0.000 1.023 229 E CA 0.509 56.977 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 -0.032 121.261 121.223 0.117 0.000 2.362 230 L HA -0.044 4.296 4.340 -0.000 0.000 0.219 230 L C 2.115 178.938 176.870 -0.079 0.000 1.134 230 L CA 0.866 55.647 54.840 -0.099 0.000 0.807 230 L CB -0.259 41.547 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 0.204 45.486 45.100 0.303 0.000 0.791 231 G HN 0.286 nan 8.290 nan 0.000 0.538 232 D N 0.673 121.132 120.400 0.098 0.000 2.309 232 D HA -0.031 4.609 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 0.703 54.741 54.000 0.063 0.000 0.882 232 D CB 0.034 40.862 40.800 0.047 0.000 0.918 232 D HN 0.315 nan 8.370 nan 0.000 0.503 233 K N -0.185 120.232 120.400 0.029 0.000 2.459 233 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 233 K C 0.701 177.322 176.600 0.035 0.000 1.030 233 K CA 0.076 56.371 56.287 0.014 0.000 1.026 233 K CB 0.639 33.126 32.500 -0.022 0.000 0.809 233 K HN 0.150 nan 8.250 nan 0.000 0.504 234 I N 1.473 122.082 120.570 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 -0.037 61.312 61.300 0.081 0.000 1.381 234 I CB 0.897 38.977 38.000 0.133 0.000 1.417 234 I HN 0.072 nan 8.210 nan 0.000 0.540 235 E N 6.618 126.853 120.200 0.058 0.000 2.409 235 E HA 0.313 4.663 4.350 -0.000 0.000 0.259 235 E C -1.407 175.236 176.600 0.070 0.000 0.932 235 E CA -0.750 55.687 56.400 0.060 0.000 0.809 235 E CB 1.297 31.028 29.700 0.051 0.000 1.341 235 E HN 0.366 nan 8.360 nan 0.000 0.405 236 I N 3.001 123.619 120.570 0.080 0.000 2.529 236 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 236 I C 0.536 176.729 176.117 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 38.980 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.612 126.903 120.200 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 -0.515 55.992 56.400 0.178 0.000 0.761 237 E CB 0.970 30.766 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 4.582 124.689 119.914 0.321 0.000 2.760 239 V HA 0.399 4.519 4.120 -0.000 0.000 0.309 239 V C 0.044 176.291 176.094 0.256 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 3.253 119.078 115.700 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 57.626 58.200 -0.081 0.000 0.994 240 S CB 1.298 64.475 63.200 -0.040 0.000 1.012 240 S HN 0.745 nan 8.310 nan 0.000 0.550 241 K N 0.072 120.289 120.400 -0.304 0.000 2.281 241 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 241 K C 1.857 178.432 176.600 -0.042 0.000 1.046 241 K CA 1.182 57.353 56.287 -0.194 0.000 0.938 241 K CB -0.754 31.600 32.500 -0.243 0.000 0.737 241 K HN 0.702 nan 8.250 nan 0.000 0.458 242 A N 1.660 124.455 122.820 -0.041 0.000 1.821 242 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 242 A C 1.261 178.869 177.584 0.040 0.000 1.214 242 A CA 1.830 53.870 52.037 0.005 0.000 0.608 242 A CB -0.629 18.378 19.000 0.013 0.000 0.862 242 A HN 0.379 nan 8.150 nan 0.000 0.448 243 D N -1.861 118.573 120.400 0.056 0.000 2.338 243 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 243 D C 0.990 177.340 176.300 0.083 0.000 1.095 243 D CA 0.264 54.297 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 1.049 121.330 120.300 -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 0.932 59.011 58.100 -0.036 0.000 1.179 244 Y CB -0.118 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 0.598 123.382 122.820 -0.060 0.000 1.873 245 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 245 A C 2.021 179.525 177.584 -0.132 0.000 1.186 245 A CA 1.611 53.571 52.037 -0.129 0.000 0.616 245 A CB -0.531 18.452 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 0.027 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 -0.411 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 1.545 110.264 108.800 -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 1.373 46.396 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 2.689 180.258 177.584 -0.024 0.000 1.192 248 A CA 1.901 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 0.292 4.761 4.470 -0.000 0.000 0.223 249 S C 1.317 175.910 174.600 -0.012 0.000 1.034 249 S CA 0.280 58.469 58.200 -0.018 0.000 0.963 249 S CB -0.600 62.588 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 0.059 4.379 4.320 -0.000 0.000 0.257 250 A C 0.063 177.647 177.584 -0.001 0.000 1.022 250 A CA 0.501 52.536 52.037 -0.004 0.000 0.812 250 A CB -0.629 18.374 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 0.171 4.511 4.340 -0.000 0.000 0.265 251 L C -0.032 176.829 176.870 -0.015 0.000 1.167 251 L CA -0.396 54.438 54.840 -0.010 0.000 1.045 251 L CB -0.187 41.863 42.059 -0.015 0.000 1.351 251 L HN 0.619 nan 8.230 nan 0.000 0.419 252 L N 4.105 125.326 121.223 -0.002 0.000 2.578 252 L HA 0.027 4.367 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 -1.276 53.562 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 -0.449 62.559 63.100 -0.154 0.000 0.826 253 P CB 1.075 32.602 31.700 -0.288 0.000 1.064 254 I N 1.847 122.299 120.570 -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 -0.719 60.536 61.300 -0.075 0.000 1.163 254 I CB 0.590 38.576 38.000 -0.023 0.000 1.316 254 I HN 0.273 nan 8.210 nan 0.000 0.454 255 Y N 7.362 127.689 120.300 0.046 0.000 2.323 255 Y HA 0.338 4.888 4.550 -0.000 0.000 0.331 255 Y C -1.725 174.185 175.900 0.017 0.000 1.092 255 Y CA -1.916 56.209 58.100 0.043 0.000 1.150 255 Y CB 0.821 39.332 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 46.241 45.100 -0.016 0.000 0.791 257 G HN 0.628 nan 8.290 nan 0.000 0.606 258 G N -3.263 105.492 108.800 -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 2.192 nan 8.290 nan 0.000 0.490 259 G N -1.983 106.766 108.800 -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 2.805 nan 8.290 nan 0.000 0.550 260 T N -2.600 111.922 114.554 -0.053 0.000 2.773 260 T HA 0.854 5.204 4.350 -0.000 0.000 0.278 260 T C -0.203 174.484 174.700 -0.022 0.000 1.011 260 T CA -0.115 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 -0.203 120.291 120.500 -0.011 0.000 2.647 261 R HA 0.550 4.890 4.340 -0.000 0.000 0.260 261 R C -0.888 175.417 176.300 0.009 0.000 1.154 261 R CA -0.528 55.573 56.100 0.002 0.000 1.029 261 R CB 1.404 31.710 30.300 0.011 0.000 1.262 261 R HN 1.165 nan 8.270 nan 0.000 0.437 262 A N 2.933 125.758 122.820 0.008 0.000 2.584 262 A HA 0.092 4.412 4.320 -0.000 0.000 0.239 262 A C 0.602 178.200 177.584 0.024 0.000 1.043 262 A CA 0.884 52.927 52.037 0.010 0.000 0.756 262 A CB 0.389 19.392 19.000 0.006 0.000 0.963 262 A HN 0.759 nan 8.150 nan 0.000 0.511 263 S N 0.676 116.393 115.700 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 0.722 58.952 58.200 0.051 0.000 0.984 263 S CB 0.356 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 -1.637 112.970 114.554 0.087 0.000 3.131 264 T HA 0.401 4.751 4.350 -0.000 0.000 0.283 264 T C 1.557 176.345 174.700 0.147 0.000 0.906 264 T CA 0.717 62.870 62.100 0.088 0.000 0.882 264 T CB -0.667 68.249 68.868 0.080 0.000 1.208 264 T HN 0.750 nan 8.240 nan 0.000 0.561 265 A N 3.035 125.984 122.820 0.215 0.000 1.863 265 A HA -0.212 4.107 4.320 -0.000 0.000 0.218 265 A C 2.156 179.997 177.584 0.427 0.000 1.233 265 A CA 2.638 54.920 52.037 0.409 0.000 0.655 265 A CB -1.077 18.171 19.000 0.413 0.000 0.839 265 A HN 0.527 nan 8.150 nan 0.000 0.454 266 K N 0.160 120.604 120.400 0.074 0.000 2.360 266 K HA 0.072 4.392 4.320 -0.000 0.000 0.201 266 K C 1.194 177.824 176.600 0.051 0.000 1.046 266 K CA 1.349 57.577 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 -0.334 122.528 122.820 0.070 0.000 2.462 267 A HA 0.301 4.621 4.320 -0.000 0.000 0.261 267 A C 0.797 178.409 177.584 0.047 0.000 1.323 267 A CA -0.007 52.057 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 3.221 268 V HA 0.256 4.376 4.120 -0.000 0.000 0.254 268 V C -0.392 175.593 176.094 -0.182 0.000 1.586 268 V CA 0.117 62.372 62.300 -0.076 0.000 1.074 268 V CB -0.027 31.706 31.823 -0.150 0.000 0.912 268 V HN 0.376 nan 8.190 nan 0.000 0.426 269 F N 0.569 120.601 119.950 0.137 0.000 2.443 269 F HA 0.703 5.230 4.527 -0.000 0.000 0.335 269 F C 1.305 177.211 175.800 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 1.373 110.372 108.800 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 -0.264 174.832 174.900 0.328 0.000 1.243 270 G CA 0.112 45.376 45.100 0.273 0.000 0.847 270 G HN 0.507 nan 8.290 nan 0.000 0.560 271 Y N 3.461 123.872 120.300 0.185 0.000 2.783 271 Y HA 0.400 4.950 4.550 -0.000 0.000 0.359 271 Y C 1.060 176.981 175.900 0.035 0.000 1.220 271 Y CA -0.621 57.547 58.100 0.114 0.000 1.649 271 Y CB -0.316 38.207 38.460 0.105 0.000 1.273 271 Y HN 0.187 nan 8.280 nan 0.000 0.506 272 G N 6.454 115.102 108.800 -0.253 0.000 2.616 272 G HA2 0.337 4.297 3.960 -0.000 0.000 0.268 272 G HA3 0.337 4.297 3.960 -0.000 0.000 0.268 272 G C -2.789 171.588 174.900 -0.873 0.000 1.213 272 G CA -1.714 42.975 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 -0.018 62.670 63.100 -0.687 0.000 0.763 273 P CB 1.104 32.409 31.700 -0.659 0.000 0.806 274 Q N 1.502 121.049 119.800 -0.422 0.000 1.940 274 Q HA 0.006 4.346 4.340 -0.000 0.000 0.200 274 Q C 1.033 176.904 176.000 -0.215 0.000 0.977 274 Q CA 1.368 56.988 55.803 -0.305 0.000 0.841 274 Q CB -1.178 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 -0.602 113.842 114.554 -0.184 0.000 2.766 275 T HA 0.059 4.409 4.350 -0.000 0.000 0.295 275 T C 0.290 174.875 174.700 -0.193 0.000 1.024 275 T CA -0.096 61.915 62.100 -0.149 0.000 1.018 275 T CB 0.449 69.249 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 0.017 4.657 4.640 -0.000 0.000 0.211 276 D C 1.546 177.703 176.300 -0.238 0.000 0.964 276 D CA 0.981 54.875 54.000 -0.178 0.000 0.877 276 D CB -0.082 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 -0.179 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 0.540 120.131 119.800 -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 1.741 30.316 28.738 -0.271 0.000 1.314 278 Q HN 0.539 nan 8.270 nan 0.000 0.448 279 Y N -0.556 119.608 120.300 -0.228 0.000 2.512 279 Y HA 0.574 5.124 4.550 -0.000 0.000 0.348 279 Y C -0.361 175.418 175.900 -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 40.404 38.460 0.039 0.000 1.259 279 Y HN 0.656 nan 8.280 nan 0.000 0.461 280 A N 3.094 125.871 122.820 -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 -0.262 51.610 52.037 -0.274 0.000 0.850 280 A CB -0.336 18.376 19.000 -0.480 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.874 123.536 120.570 0.153 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 0.335 0.000 0.999 281 I CA 0.133 61.595 61.300 0.269 0.000 1.124 281 I CB 1.719 39.877 38.000 0.264 0.000 1.289 281 I HN 0.507 nan 8.210 nan 0.000 0.441 282 I N 6.799 127.536 120.570 0.279 0.000 2.448 282 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 282 I C -0.778 175.417 176.117 0.130 0.000 1.027 282 I CA -0.725 60.704 61.300 0.215 0.000 1.111 282 I CB 1.533 39.664 38.000 0.218 0.000 1.236 282 I HN 0.138 nan 8.210 nan 0.000 0.452 283 V N 7.103 127.066 119.914 0.082 0.000 2.465 283 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 283 V C 0.231 176.302 176.094 -0.037 0.000 1.045 283 V CA -0.337 61.981 62.300 0.031 0.000 0.938 283 V CB 1.446 33.275 31.823 0.010 0.000 0.986 283 V HN 0.646 nan 8.190 nan 0.000 0.467 284 R N 3.731 124.222 120.500 -0.015 0.000 2.621 284 R HA 0.636 4.976 4.340 -0.000 0.000 0.292 284 R C -0.655 175.634 176.300 -0.018 0.000 0.969 284 R CA -0.836 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 2.590 123.071 120.500 -0.031 0.000 2.435 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.308 285 R C -0.846 175.451 176.300 -0.005 0.000 0.975 285 R CA -0.371 55.728 56.100 -0.001 0.000 0.867 285 R CB 0.599 30.916 30.300 0.029 0.000 1.171 285 R HN 0.680 nan 8.270 nan 0.000 0.470 286 N N 3.855 122.553 118.700 -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 1.569 54.616 53.050 -0.004 0.000 0.690 286 N CB -0.852 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 -4.115 116.284 120.400 -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 39.364 40.800 -0.000 0.000 1.101 287 D HN 0.754 nan 8.370 nan 0.000 0.431 288 A N 0.442 123.254 122.820 -0.014 0.000 2.366 288 A HA 0.524 4.844 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 -0.336 51.687 52.037 -0.024 0.000 0.804 288 A CB 0.215 19.203 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 1.352 177.412 176.117 -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 3.224 123.041 119.914 -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 1.657 63.779 62.300 -0.296 0.000 1.066 290 V CB -0.368 31.071 31.823 -0.639 0.000 0.667 290 V HN 0.878 nan 8.190 nan 0.000 0.461 291 Q N -0.767 118.922 119.800 -0.184 0.000 2.435 291 Q HA 0.488 4.828 4.340 -0.000 0.000 0.282 291 Q C -1.309 174.696 176.000 0.008 0.000 1.020 291 Q CA -0.304 55.463 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 1.410 117.132 115.700 0.037 0.000 2.720 292 S HA 0.756 5.226 4.470 -0.000 0.000 0.278 292 S C -1.509 173.210 174.600 0.197 0.000 1.172 292 S CA -0.577 57.664 58.200 0.068 0.000 1.019 292 S CB 1.524 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 2.732 122.855 119.914 0.348 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 -0.627 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 -0.075 0.000 2.444 294 V HA 0.595 4.715 4.120 -0.000 0.000 0.294 294 V C -0.439 175.506 176.094 -0.249 0.000 1.022 294 V CA -0.329 61.847 62.300 -0.207 0.000 0.850 294 V CB 1.455 33.130 31.823 -0.246 0.000 0.992 294 V HN 0.683 nan 8.190 nan 0.000 0.426 295 L N 2.948 124.029 121.223 -0.238 0.000 2.283 295 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 295 L C -0.185 176.575 176.870 -0.184 0.000 1.027 295 L CA -0.569 54.105 54.840 -0.277 0.000 0.828 295 L CB 2.418 44.258 42.059 -0.365 0.000 1.380 295 L HN 0.621 nan 8.230 nan 0.000 0.425 296 S N -1.336 114.274 115.700 -0.150 0.000 2.536 296 S HA 0.383 4.853 4.470 -0.000 0.000 0.298 296 S C 0.418 174.998 174.600 -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 0.452 114.979 114.554 -0.045 0.000 3.107 297 T HA 0.295 4.645 4.350 -0.000 0.000 0.249 297 T C 0.329 175.113 174.700 0.140 0.000 1.096 297 T CA 0.054 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 1.711 122.142 120.400 0.052 0.000 2.339 298 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 298 K C -0.111 176.341 176.600 -0.247 0.000 0.986 298 K CA -0.854 55.373 56.287 -0.099 0.000 0.866 298 K CB 0.942 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 0.172 30.087 30.300 -0.641 0.000 0.985 299 R HN 1.060 nan 8.270 nan 0.000 0.439 300 G N 1.062 109.779 108.800 -0.138 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 -0.058 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 0.368 4.327 3.960 -0.000 0.000 0.235 301 G HA3 0.368 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 0.995 121.409 120.400 0.024 0.000 2.444 302 K HA 0.357 4.677 4.320 -0.000 0.000 0.252 302 K C -0.358 176.287 176.600 0.074 0.000 0.993 302 K CA -0.986 55.328 56.287 0.045 0.000 0.847 302 K CB 1.673 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 0.460 120.921 120.400 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 53.775 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 -3.296 117.331 120.570 0.095 0.000 3.616 304 I HA 0.070 4.240 4.170 -0.000 0.000 0.306 304 I C -0.045 175.919 176.117 -0.255 0.000 1.232 304 I CA 0.110 61.359 61.300 -0.085 0.000 1.182 304 I CB -1.048 36.780 38.000 -0.287 0.000 1.007 304 I HN 0.189 nan 8.210 nan 0.000 0.479 305 Y N -0.048 120.207 120.300 -0.076 0.000 2.767 305 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 305 Y C 0.083 175.968 175.900 -0.026 0.000 1.133 305 Y CA -0.765 57.303 58.100 -0.053 0.000 1.225 305 Y CB 0.345 38.768 38.460 -0.061 0.000 1.312 305 Y HN 0.181 nan 8.280 nan 0.000 0.560 306 D N 0.369 120.832 120.400 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 1.149 55.190 54.000 0.069 0.000 0.782 306 D CB -1.133 39.692 40.800 0.042 0.000 1.094 306 D HN 0.093 nan 8.370 nan 0.000 0.425 307 S N 0.402 116.158 115.700 0.094 0.000 2.416 307 S HA 0.176 4.646 4.470 -0.000 0.000 0.287 307 S C 0.399 175.034 174.600 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 3.533 122.271 118.700 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 0.043 53.137 53.050 0.073 0.000 0.936 308 N CB -0.197 38.340 38.487 0.085 0.000 1.274 308 N HN 0.713 nan 8.380 nan 0.000 0.489 309 I N 0.592 121.183 120.570 0.035 0.000 3.874 309 I HA 0.236 4.406 4.170 -0.000 0.000 0.331 309 I C -0.245 175.853 176.117 -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 37.450 38.000 -0.127 0.000 1.150 309 I HN 0.258 nan 8.210 nan 0.000 0.412 310 Y N 2.440 122.700 120.300 -0.066 0.000 2.496 310 Y HA 0.268 4.818 4.550 -0.000 0.000 0.334 310 Y C 1.175 177.049 175.900 -0.043 0.000 1.080 310 Y CA -0.804 57.257 58.100 -0.065 0.000 1.355 310 Y CB 0.524 38.965 38.460 -0.031 0.000 1.193 310 Y HN 0.209 nan 8.280 nan 0.000 0.523 311 I N 3.815 124.098 120.570 -0.480 0.000 2.109 311 I HA -0.507 3.663 4.170 -0.000 0.000 0.233 311 I C 2.051 177.953 176.117 -0.359 0.000 1.005 311 I CA 2.136 63.214 61.300 -0.370 0.000 1.294 311 I CB -0.268 37.557 38.000 -0.291 0.000 1.005 311 I HN 0.674 nan 8.210 nan 0.000 0.392 312 D N 0.506 120.463 120.400 -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 -0.266 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 -0.308 119.982 120.400 -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 1.276 121.078 119.950 -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 -0.554 38.102 39.000 -0.573 0.000 0.972 314 F HN -0.129 nan 8.300 nan 0.000 0.483 315 F N 0.262 120.011 119.950 -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 58.504 58.000 -0.543 0.000 1.409 315 F CB -1.454 36.997 39.000 -0.917 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 4.174 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 53.210 52.037 0.074 0.000 0.665 316 A CB -0.672 18.364 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 0.483 177.002 176.600 -0.134 0.000 1.055 317 K CA 0.000 56.247 56.287 -0.066 0.000 1.006 317 K CB 0.593 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 -1.153 107.376 108.800 -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 0.729 175.273 174.900 -0.593 0.000 1.135 319 G CA 1.416 45.891 45.100 -1.042 0.000 0.767 319 G HN 1.279 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 -0.152 0.000 1.008 321 E CA 1.031 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 57.830 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 -1.635 174.446 176.117 -0.060 0.000 1.099 323 I CA -1.081 60.265 61.300 0.077 0.000 0.989 323 I CB 2.869 40.920 38.000 0.084 0.000 1.250 323 I HN -0.058 nan 8.210 nan 0.000 0.478 324 F N 1.118 120.777 119.950 -0.484 0.000 2.622 324 F HA 0.778 5.305 4.527 -0.000 0.000 0.318 324 F C -0.897 174.447 175.800 -0.761 0.000 1.135 324 F CA -0.153 57.383 58.000 -0.774 0.000 1.015 324 F CB 1.805 40.572 39.000 -0.388 0.000 1.275 324 F HN 0.918 nan 8.300 nan 0.000 0.457 325 A N 2.598 124.674 122.820 -1.241 0.000 2.524 325 A HA 0.888 5.208 4.320 -0.000 0.000 0.286 325 A C -1.230 176.254 177.584 -0.166 0.000 1.203 325 A CA -0.664 51.112 52.037 -0.435 0.000 0.736 325 A CB 1.969 20.843 19.000 -0.209 0.000 1.322 325 A HN 0.723 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 0.518 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 62.579 62.100 0.091 0.000 1.028 326 T CB 1.281 70.230 68.868 0.134 0.000 1.091 326 T HN 1.726 nan 8.240 nan 0.000 0.457 327 A N 3.346 126.209 122.820 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 0.905 53.007 52.037 0.108 0.000 0.671 327 A CB -0.569 18.496 19.000 0.108 0.000 0.794 327 A HN 0.799 nan 8.150 nan 0.000 0.459 328 Q N 0.221 120.118 119.800 0.162 0.000 2.274 328 Q HA 0.077 4.417 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 0.461 56.341 55.803 0.127 0.000 0.907 328 Q CB 0.042 28.846 28.738 0.110 0.000 1.171 328 Q HN 0.473 nan 8.270 nan 0.000 0.381 329 N N 1.970 120.716 118.700 0.078 0.000 2.713 329 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 329 N C -1.385 174.134 175.510 0.015 0.000 1.117 329 N CA 0.850 53.914 53.050 0.024 0.000 0.770 329 N CB -1.023 37.437 38.487 -0.046 0.000 1.137 329 N HN 0.676 nan 8.380 nan 0.000 0.566 330 W N 2.883 124.108 121.300 -0.124 0.000 2.489 330 W HA 0.165 4.825 4.660 -0.000 0.000 0.327 330 W C -2.019 174.412 176.519 -0.147 0.000 1.436 330 W CA -1.153 56.069 57.345 -0.204 0.000 1.315 330 W CB -0.132 29.198 29.460 -0.217 0.000 1.373 330 W HN 0.035 nan 8.180 nan 0.000 0.557 331 P HA -0.063 nan 4.420 nan 0.000 0.264 331 P C -0.453 177.040 177.300 0.323 0.000 1.193 331 P CA 0.721 63.880 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 0.598 57.198 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 3.635 112.735 108.800 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 0.079 175.242 174.900 0.439 0.000 1.002 333 G CA 0.367 45.711 45.100 0.406 0.000 0.729 333 G HN 0.576 nan 8.290 nan 0.000 0.517 334 F N 1.726 121.899 119.950 0.373 0.000 2.572 334 F HA 0.476 5.003 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 0.780 58.885 58.000 0.176 0.000 1.286 334 F CB 0.749 39.701 39.000 -0.080 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.290 118.684 115.700 -0.510 0.000 2.548 335 S HA 0.838 5.308 4.470 -0.000 0.000 0.276 335 S C -0.291 173.966 174.600 -0.571 0.000 1.129 335 S CA -0.226 57.817 58.200 -0.262 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 1.453 110.138 108.800 -0.192 0.000 2.321 336 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 336 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 336 G C -2.347 172.688 174.900 0.226 0.000 1.287 336 G CA -0.697 44.416 45.100 0.020 0.000 0.846 336 G HN 0.494 nan 8.290 nan 0.000 0.508 337 I N 1.335 122.067 120.570 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 -0.732 60.701 61.300 0.222 0.000 1.163 337 I CB 0.837 38.918 38.000 0.136 0.000 1.316 337 I HN 0.322 nan 8.210 nan 0.000 0.454 338 L N 5.761 127.103 121.223 0.197 0.000 2.292 338 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 338 L C 0.341 177.270 176.870 0.098 0.000 1.065 338 L CA -0.165 54.755 54.840 0.133 0.000 0.806 338 L CB 1.173 43.244 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 0.456 42.553 42.059 0.063 0.000 1.119 340 L HN 0.738 nan 8.230 nan 0.000 0.464 341 S N -0.118 115.607 115.700 0.041 0.000 2.703 341 S HA 0.659 5.129 4.470 -0.000 0.000 0.273 341 S C 0.403 175.025 174.600 0.036 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 -0.043 108.779 108.800 0.037 0.000 2.196 342 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.268 342 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.268 342 G C 0.837 175.759 174.900 0.037 0.000 0.975 342 G CA 0.584 45.703 45.100 0.032 0.000 0.648 342 G HN 1.782 nan 8.290 nan 0.000 0.538 343 G N -0.528 108.303 108.800 0.051 0.000 2.391 343 G HA2 0.458 4.418 3.960 -0.000 0.000 0.234 343 G HA3 0.458 4.418 3.960 -0.000 0.000 0.234 343 G C -0.131 174.808 174.900 0.065 0.000 1.284 343 G CA 0.436 45.577 45.100 0.068 0.000 0.873 343 G HN 1.092 nan 8.290 nan 0.000 0.549 344 L N 2.875 124.133 121.223 0.058 0.000 2.673 344 L HA 0.275 4.615 4.340 -0.000 0.000 0.255 344 L C 0.231 177.125 176.870 0.040 0.000 1.015 344 L CA -0.488 54.380 54.840 0.047 0.000 0.930 344 L CB 1.062 43.137 42.059 0.027 0.000 1.185 344 L HN 0.707 nan 8.230 nan 0.000 0.457 345 S N 2.517 118.254 115.700 0.061 0.000 2.474 345 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 345 S C 0.207 174.820 174.600 0.022 0.000 1.227 345 S CA -0.146 58.078 58.200 0.039 0.000 1.050 345 S CB 0.978 64.221 63.200 0.071 0.000 0.939 345 S HN 0.708 nan 8.310 nan 0.000 0.490 346 S N 3.773 119.474 115.700 0.002 0.000 2.498 346 S HA 0.386 4.856 4.470 -0.000 0.000 0.324 346 S C 0.497 175.082 174.600 -0.024 0.000 1.071 346 S CA -1.005 57.193 58.200 -0.004 0.000 1.113 346 S CB 0.658 63.857 63.200 -0.001 0.000 0.976 346 S HN 0.783 nan 8.310 nan 0.000 0.462 347 N N 3.133 121.814 118.700 -0.031 0.000 2.415 347 N HA 0.008 4.748 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 0.824 53.839 53.050 -0.058 0.000 0.902 347 N CB -0.669 37.775 38.487 -0.072 0.000 0.986 347 N HN 0.746 nan 8.380 nan 0.000 0.447 348 A N 2.005 124.818 122.820 -0.013 0.000 1.865 348 A HA -0.274 4.046 4.320 -0.000 0.000 0.244 348 A C 0.648 178.230 177.584 -0.003 0.000 1.984 348 A CA 2.291 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 -1.284 118.914 120.200 -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 0.932 30.636 29.700 0.006 0.000 1.329 349 E HN 0.057 nan 8.360 nan 0.000 0.409 350 V N 2.265 122.169 119.914 -0.016 0.000 2.353 350 V HA 0.188 4.308 4.120 -0.000 0.000 0.264 350 V C 0.596 176.693 176.094 0.004 0.000 1.049 350 V CA -0.305 61.982 62.300 -0.021 0.000 0.896 350 V CB 1.126 32.902 31.823 -0.078 0.000 1.025 350 V HN 0.714 nan 8.190 nan 0.000 0.475 351 T N 4.774 119.343 114.554 0.025 0.000 2.903 351 T HA 0.272 4.622 4.350 -0.000 0.000 0.314 351 T C 1.519 176.254 174.700 0.059 0.000 1.078 351 T CA 0.318 62.443 62.100 0.040 0.000 1.114 351 T CB 1.136 70.029 68.868 0.042 0.000 0.987 351 T HN 0.852 nan 8.240 nan 0.000 0.548 352 A N 4.278 127.142 122.820 0.073 0.000 1.884 352 A HA -0.054 4.266 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 2.578 54.678 52.037 0.106 0.000 0.637 352 A CB -1.681 17.384 19.000 0.108 0.000 0.827 352 A HN 1.106 nan 8.150 nan 0.000 0.450 353 G N -0.226 108.635 108.800 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 1.396 46.560 45.100 0.107 0.000 0.763 353 G HN 0.567 nan 8.290 nan 0.000 0.561 354 D N 0.160 120.633 120.400 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 0.410 54.504 54.000 0.157 0.000 0.864 354 D CB -0.087 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 -0.842 118.990 119.600 0.386 0.000 2.175 356 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 356 M C 2.031 178.623 176.300 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 0.158 nan 8.290 nan 0.000 0.415 357 E N 0.448 120.860 120.200 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 1.387 58.005 56.400 0.364 0.000 0.804 357 E CB -0.100 29.766 29.700 0.277 0.000 0.741 357 E HN 0.543 nan 8.360 nan 0.000 0.458 358 A N 0.623 123.699 122.820 0.427 0.000 1.832 358 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 358 A C 1.813 179.538 177.584 0.235 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 -0.310 0.000 0.842 358 A HN 0.397 nan 8.150 nan 0.000 0.444 359 W N 0.508 121.982 121.300 0.291 0.000 2.308 359 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 359 W C 1.605 178.403 176.519 0.466 0.000 1.220 359 W CA 1.134 58.724 57.345 0.409 0.000 1.240 359 W CB -0.266 29.370 29.460 0.294 0.000 1.142 359 W HN 0.373 nan 8.180 nan 0.000 0.521 360 D N -0.687 120.093 120.400 0.633 0.000 2.271 360 D HA -0.192 4.448 4.640 -0.000 0.000 0.207 360 D C 1.531 178.030 176.300 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 0.183 nan 8.370 nan 0.000 0.479 361 F N -0.960 118.999 119.950 0.014 0.000 2.583 361 F HA -0.096 4.431 4.527 -0.000 0.000 0.297 361 F C 1.174 176.772 175.800 -0.337 0.000 1.131 361 F CA 0.377 58.231 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 -0.035 nan 8.300 nan 0.000 0.586 362 F N -1.417 118.737 119.950 0.339 0.000 2.682 362 F HA 0.317 4.844 4.527 -0.000 0.000 0.308 362 F C 1.652 177.610 175.800 0.263 0.000 1.093 362 F CA -0.120 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 0.737 123.756 122.820 0.332 0.000 2.416 363 A HA 0.273 4.593 4.320 -0.000 0.000 0.252 363 A C -0.655 177.000 177.584 0.119 0.000 1.353 363 A CA 0.076 52.239 52.037 0.211 0.000 0.996 363 A CB -1.397 17.700 19.000 0.162 0.000 0.961 363 A HN 0.254 nan 8.150 nan 0.000 0.523 364 D N -2.429 118.047 120.400 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 53.343 54.000 0.074 0.000 0.967 364 D CB 0.273 41.096 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 1.230 177.566 176.300 0.060 0.000 1.127 365 R CA 1.266 57.411 56.100 0.075 0.000 0.989 365 R CB -0.104 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 -0.038 120.188 120.200 0.044 0.000 2.118 366 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 366 E C 1.613 178.236 176.600 0.038 0.000 0.992 366 E CA 1.775 58.194 56.400 0.032 0.000 0.804 366 E CB 0.092 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 -0.114 115.614 115.700 0.046 0.000 2.444 367 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 367 S C 0.705 175.348 174.600 0.071 0.000 1.054 367 S CA 0.233 58.460 58.200 0.045 0.000 0.947 367 S CB 0.454 63.670 63.200 0.027 0.000 0.850 367 S HN 0.123 nan 8.310 nan 0.000 0.527 368 V N 2.314 122.293 119.914 0.110 0.000 2.444 368 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 368 V C -1.477 174.714 176.094 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 0.328 nan 8.190 nan 0.000 0.426 369 D N 4.770 125.246 120.400 0.127 0.000 2.435 369 D HA 0.271 4.911 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 1.397 42.249 40.800 0.087 0.000 1.048 369 D HN 0.717 nan 8.370 nan 0.000 0.512 370 V N -0.374 119.623 119.914 0.137 0.000 2.444 370 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 370 V C 0.552 176.717 176.094 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 -0.029 0.000 0.992 370 V HN 0.050 nan 8.190 nan 0.000 0.426 371 Q N 3.925 123.781 119.800 0.093 0.000 2.123 371 Q HA 0.395 4.735 4.340 -0.000 0.000 0.196 371 Q C 0.206 176.306 176.000 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 28.801 28.738 0.100 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.942 120.351 121.223 0.117 0.000 2.319 372 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 372 L C -0.957 175.966 176.870 0.088 0.000 1.011 372 L CA -0.741 54.186 54.840 0.144 0.000 0.818 372 L CB 1.512 43.638 42.059 0.111 0.000 1.316 372 L HN -0.045 nan 8.230 nan 0.000 0.432 373 F N 1.744 121.644 119.950 -0.083 0.000 2.610 373 F HA 0.447 4.973 4.527 -0.000 0.000 0.355 373 F C -0.065 175.661 175.800 -0.125 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 0.169 4.339 4.170 -0.000 0.000 0.289 374 I C 0.774 176.957 176.117 0.109 0.000 1.083 374 I CA 0.455 61.782 61.300 0.045 0.000 1.372 374 I CB 1.078 39.080 38.000 0.003 0.000 1.408 374 I HN 0.784 nan 8.210 nan 0.000 0.516 375 A N 4.879 127.724 122.820 0.042 0.000 2.009 375 A HA 0.241 4.561 4.320 -0.000 0.000 0.197 375 A C 2.072 179.690 177.584 0.056 0.000 1.471 375 A CA 0.560 52.590 52.037 -0.011 0.000 0.973 375 A CB -0.398 18.521 19.000 -0.135 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 1.598 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 -0.603 115.128 115.700 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 -0.273 0.000 0.992 377 S CA 1.118 59.251 58.200 -0.112 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 1.324 120.609 119.300 -0.026 0.000 2.791 378 C HA 0.658 5.117 4.460 -0.000 0.000 0.270 378 C C 2.790 177.769 174.990 -0.020 0.000 1.257 378 C CA -0.628 58.401 59.018 0.018 0.000 1.699 378 C CB -1.656 26.183 27.740 0.165 0.000 1.904 378 C HN 0.720 nan 8.230 nan 0.000 0.603 379 A N 1.948 124.753 122.820 -0.025 0.000 1.940 379 A HA -0.128 4.192 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 2.470 54.479 52.037 -0.047 0.000 0.647 379 A CB -1.145 17.818 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 2.448 380 G HA2 0.089 4.049 3.960 -0.000 0.000 0.218 380 G HA3 0.089 4.049 3.960 -0.000 0.000 0.218 380 G C 0.793 175.643 174.900 -0.083 0.000 1.135 380 G CA 0.741 45.734 45.100 -0.180 0.000 0.784 380 G HN 0.539 nan 8.290 nan 0.000 0.543 381 E N 0.906 121.088 120.200 -0.029 0.000 2.455 381 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 381 E C 0.575 177.184 176.600 0.016 0.000 1.245 381 E CA -0.116 56.299 56.400 0.026 0.000 1.013 381 E CB 0.317 30.069 29.700 0.085 0.000 0.978 381 E HN 0.144 nan 8.360 nan 0.000 0.479 382 S N 2.490 118.210 115.700 0.034 0.000 2.784 382 S HA -0.136 4.334 4.470 -0.000 0.000 0.322 382 S C 1.498 176.122 174.600 0.040 0.000 1.234 382 S CA -0.104 58.116 58.200 0.034 0.000 1.064 382 S CB 0.019 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 3.202 124.441 121.223 0.027 0.000 2.058 383 L HA -0.340 4.000 4.340 -0.000 0.000 0.226 383 L C 2.336 179.261 176.870 0.091 0.000 1.089 383 L CA 2.177 57.038 54.840 0.034 0.000 0.799 383 L CB -0.648 41.441 42.059 0.050 0.000 0.900 383 L HN 0.802 nan 8.230 nan 0.000 0.442 384 E N -0.966 119.296 120.200 0.103 0.000 2.037 384 E HA -0.342 4.008 4.350 -0.000 0.000 0.214 384 E C 1.906 178.590 176.600 0.139 0.000 1.041 384 E CA 2.324 58.800 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 0.554 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 4.144 4.350 -0.000 0.000 0.269 385 T C 1.866 176.652 174.700 0.144 0.000 1.050 385 T CA 1.580 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 0.559 123.447 122.820 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 2.649 54.742 52.037 0.094 0.000 0.639 386 A CB -0.977 18.029 19.000 0.010 0.000 0.820 386 A HN 0.629 nan 8.150 nan 0.000 0.451 387 S N -1.341 114.508 115.700 0.249 0.000 2.341 387 S HA -0.092 4.378 4.470 -0.000 0.000 0.216 387 S C 2.240 177.008 174.600 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 2.014 116.703 114.554 0.224 0.000 2.881 388 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 388 T C 1.688 176.511 174.700 0.204 0.000 1.068 388 T CA 1.181 63.394 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 -0.154 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 -0.055 119.818 119.800 0.121 0.000 2.047 390 Q HA -0.346 3.994 4.340 -0.000 0.000 0.211 390 Q C 2.373 178.447 176.000 0.123 0.000 1.005 390 Q CA 2.321 58.152 55.803 0.046 0.000 0.866 390 Q CB -0.383 28.370 28.738 0.025 0.000 0.938 390 Q HN 0.525 nan 8.270 nan 0.000 0.414 391 K N -0.299 120.253 120.400 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 58.361 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 -0.203 118.894 119.070 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 1.304 57.362 56.048 0.016 0.000 1.345 392 H CB 0.239 30.038 29.762 0.062 0.000 1.393 392 H HN -0.007 nan 8.280 nan 0.000 0.520 393 V N 1.001 120.722 119.914 -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 -0.674 119.102 119.914 -0.230 0.000 2.392 394 V HA -0.217 3.902 4.120 -0.000 0.000 0.249 394 V C 2.237 178.205 176.094 -0.211 0.000 1.059 394 V CA 2.241 64.428 62.300 -0.188 0.000 1.051 394 V CB -0.497 31.286 31.823 -0.067 0.000 0.658 394 V HN 0.550 nan 8.190 nan 0.000 0.455 395 S N -1.478 114.127 115.700 -0.158 0.000 2.803 395 S HA 0.253 4.723 4.470 -0.000 0.000 0.228 395 S C 1.262 175.778 174.600 -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 -0.972 119.442 120.570 -0.260 0.000 3.812 396 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 396 I C 2.405 178.322 176.117 -0.334 0.000 1.206 396 I CA 0.418 61.574 61.300 -0.240 0.000 1.370 396 I CB -0.333 37.530 38.000 -0.229 0.000 1.328 396 I HN 0.353 nan 8.210 nan 0.000 0.453 397 G N 0.482 108.968 108.800 -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 0.768 45.529 45.100 -0.565 0.000 0.784 397 G HN 0.186 nan 8.290 nan 0.000 0.538 398 D N 0.412 120.568 120.400 -0.406 0.000 2.087 398 D HA -0.114 4.525 4.640 -0.000 0.000 0.192 398 D C 2.693 178.795 176.300 -0.330 0.000 0.993 398 D CA 0.963 54.742 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 0.940 120.721 119.914 -0.221 0.000 3.078 399 V HA -0.126 3.994 4.120 -0.000 0.000 0.265 399 V C 2.169 178.172 176.094 -0.152 0.000 1.122 399 V CA 1.557 63.768 62.300 -0.148 0.000 1.141 399 V CB -0.556 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 -0.146 120.229 120.500 -0.208 0.000 2.257 400 R HA 0.131 4.471 4.340 -0.000 0.000 0.195 400 R C 0.929 177.108 176.300 -0.201 0.000 0.921 400 R CA 0.099 56.108 56.100 -0.151 0.000 1.069 400 R CB -0.094 30.154 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 27.265 28.738 -0.400 0.000 1.250 401 Q HN 0.520 nan 8.270 nan 0.000 0.481 402 D N -0.171 120.202 120.400 -0.045 0.000 2.513 402 D HA 0.446 5.086 4.640 -0.000 0.000 0.295 402 D C -0.355 176.018 176.300 0.120 0.000 1.202 402 D CA 0.218 54.268 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 -0.055 119.350 119.300 0.175 0.000 3.232 403 C HA 0.602 5.062 4.460 -0.000 0.000 0.315 403 C C -1.890 173.228 174.990 0.214 0.000 1.401 403 C CA -1.208 57.923 59.018 0.189 0.000 1.142 403 C CB 0.320 28.136 27.740 0.127 0.000 1.559 403 C HN 0.489 nan 8.230 nan 0.000 0.408 404 L N 0.574 121.895 121.223 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 0.797 nan 8.230 nan 0.000 0.415 405 V N 5.118 125.029 119.914 -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 3.995 125.240 121.223 0.037 0.000 2.346 406 L HA 1.018 5.358 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 0.300 119.598 119.300 -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 -0.553 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 0.954 nan 8.230 nan 0.000 0.477 408 S N 2.176 117.794 115.700 -0.138 0.000 2.566 408 S HA 0.794 5.264 4.470 -0.000 0.000 0.298 408 S C -2.718 171.700 174.600 -0.303 0.000 1.083 408 S CA -0.968 57.071 58.200 -0.268 0.000 0.978 408 S CB 1.749 64.782 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 -2.925 174.338 177.300 -0.061 0.000 1.240 409 P CA -1.565 61.266 63.100 -0.447 0.000 0.791 409 P CB -0.633 30.826 31.700 -0.402 0.000 0.978 410 P HA 0.288 nan 4.420 nan 0.000 0.280 410 P C 1.140 178.374 177.300 -0.109 0.000 1.244 410 P CA -0.206 62.767 63.100 -0.212 0.000 0.784 410 P CB 0.465 31.873 31.700 -0.487 0.000 0.913 411 R N 2.107 122.437 120.500 -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 1.940 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 -0.841 119.251 120.200 -0.181 0.000 2.149 412 E HA -0.298 4.052 4.350 -0.000 0.000 0.215 412 E C 1.876 178.414 176.600 -0.103 0.000 1.055 412 E CA 2.091 58.421 56.400 -0.117 0.000 0.870 412 E CB -0.268 29.392 29.700 -0.066 0.000 0.764 412 E HN 0.277 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 1.409 176.043 174.700 -0.109 0.000 1.111 413 T CA 0.592 62.619 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 -0.715 119.122 119.914 -0.130 0.000 3.368 414 V HA 0.215 4.335 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 0.541 120.264 119.914 -0.317 0.000 2.426 415 V HA 0.066 4.186 4.120 -0.000 0.000 0.242 415 V C 2.518 178.393 176.094 -0.364 0.000 1.036 415 V CA 2.199 64.158 62.300 -0.568 0.000 1.044 415 V CB -0.782 30.457 31.823 -0.973 0.000 0.688 415 V HN 0.534 nan 8.190 nan 0.000 0.462 416 G N 1.606 110.264 108.800 -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 1.093 46.115 45.100 -0.129 0.000 0.794 416 G HN 0.528 nan 8.290 nan 0.000 0.542 417 I N 0.760 121.286 120.570 -0.072 0.000 3.194 417 I HA 0.359 4.529 4.170 -0.000 0.000 0.283 417 I C -1.934 174.160 176.117 -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 0.163 nan 4.420 nan 0.000 0.276 418 P C 0.818 178.110 177.300 -0.012 0.000 1.252 418 P CA -0.468 62.624 63.100 -0.014 0.000 0.802 418 P CB 0.977 32.674 31.700 -0.006 0.000 1.035 419 V N 0.353 120.263 119.914 -0.007 0.000 2.392 419 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 419 V C 2.483 178.578 176.094 0.002 0.000 1.059 419 V CA 2.485 64.782 62.300 -0.004 0.000 1.051 419 V CB -1.948 29.875 31.823 0.000 0.000 0.658 419 V HN 0.621 nan 8.190 nan 0.000 0.455 420 T N 0.367 114.924 114.554 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 0.932 121.440 120.500 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 1.208 57.321 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 2.305 54.342 52.037 -0.000 0.000 0.650 422 A CB -0.965 18.023 19.000 -0.019 0.000 0.836 422 A HN 0.152 nan 8.150 nan 0.000 0.454 423 V N 0.419 120.343 119.914 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 64.518 62.300 0.025 0.000 1.024 423 V CB -1.059 30.777 31.823 0.021 0.000 0.648 423 V HN 0.517 nan 8.190 nan 0.000 0.447 424 D N 0.617 121.051 120.400 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 -0.138 4.602 4.740 -0.000 0.000 0.194 425 N C 2.216 177.782 175.510 0.094 0.000 1.044 425 N CA 0.460 53.663 53.050 0.256 0.000 0.851 425 N CB -0.820 37.786 38.487 0.198 0.000 1.036 425 N HN 0.227 nan 8.380 nan 0.000 0.422 426 L N 0.772 122.011 121.223 0.028 0.000 2.013 426 L HA -0.199 4.140 4.340 -0.000 0.000 0.212 426 L C 2.176 179.127 176.870 0.136 0.000 1.073 426 L CA 1.094 55.962 54.840 0.048 0.000 0.753 426 L CB -0.262 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 -0.218 3.902 4.120 -0.000 0.000 0.245 427 V C 2.108 178.279 176.094 0.130 0.000 1.044 427 V CA 1.653 64.016 62.300 0.103 0.000 1.036 427 V CB -0.810 31.058 31.823 0.074 0.000 0.664 427 V HN 0.465 nan 8.190 nan 0.000 0.453 428 N N -0.425 118.386 118.700 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 1.848 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 2.247 123.551 121.300 0.007 0.000 2.363 429 W HA 0.008 4.668 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 0.947 58.230 57.345 -0.103 0.000 1.260 429 W CB -0.017 29.162 29.460 -0.468 0.000 1.131 429 W HN -0.058 nan 8.180 nan 0.000 0.530 430 R N -0.411 120.106 120.500 0.028 0.000 2.316 430 R HA -0.026 4.314 4.340 -0.000 0.000 0.202 430 R C 1.741 177.966 176.300 -0.125 0.000 1.029 430 R CA 1.501 57.539 56.100 -0.103 0.000 1.018 430 R CB -0.373 29.936 30.300 0.016 0.000 0.888 430 R HN 0.330 nan 8.270 nan 0.000 0.471 431 T N -2.906 111.615 114.554 -0.056 0.000 3.361 431 T HA 0.436 4.786 4.350 -0.000 0.000 0.241 431 T C 0.854 175.541 174.700 -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 0.617 123.466 122.820 0.049 0.000 3.522 432 A HA 0.598 4.918 4.320 -0.000 0.000 0.113 432 A C 1.664 179.317 177.584 0.115 0.000 1.309 432 A CA 1.299 53.382 52.037 0.076 0.000 1.277 432 A CB -1.375 17.644 19.000 0.032 0.000 0.984 432 A HN 1.811 nan 8.150 nan 0.000 0.456 433 A N -1.168 121.697 122.820 0.076 0.000 5.264 433 A HA -0.050 4.270 4.320 -0.000 0.000 0.342 433 A C 2.605 180.231 177.584 0.070 0.000 1.706 433 A CA 3.627 55.708 52.037 0.074 0.000 0.706 433 A CB -1.977 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 -2.984 105.864 108.800 0.081 0.000 2.622 434 G HA2 0.214 4.173 3.960 -0.000 0.000 0.206 434 G HA3 0.214 4.173 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 46.950 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 0.952 175.394 174.600 -0.264 0.000 1.040 435 S CA 0.430 58.439 58.200 -0.318 0.000 0.957 435 S CB -0.204 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 2.131 122.505 120.300 0.122 0.000 2.826 436 Y HA 0.368 4.918 4.550 -0.000 0.000 0.371 436 Y C 1.753 177.743 175.900 0.150 0.000 1.252 436 Y CA -0.535 57.678 58.100 0.189 0.000 1.813 436 Y CB -0.763 37.919 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 1.054 175.822 174.700 0.114 0.000 1.051 437 T CA 2.009 64.182 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 1.755 122.229 120.400 0.125 0.000 2.154 438 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 438 D C 0.907 177.295 176.300 0.146 0.000 0.977 438 D CA 0.603 54.667 54.000 0.107 0.000 0.869 438 D CB -0.444 40.411 40.800 0.091 0.000 1.022 438 D HN 0.317 nan 8.370 nan 0.000 0.461 439 N N 2.327 121.159 118.700 0.220 0.000 3.254 439 N HA 0.027 4.767 4.740 -0.000 0.000 0.308 439 N C -0.333 175.422 175.510 0.409 0.000 1.281 439 N CA -0.020 53.211 53.050 0.300 0.000 1.212 439 N CB -0.482 38.202 38.487 0.328 0.000 1.478 439 N HN 0.464 nan 8.380 nan 0.000 0.548 440 N N -0.220 118.590 118.700 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 0.844 39.293 38.487 -0.063 0.000 1.207 440 N HN 0.025 nan 8.380 nan 0.000 0.525 441 F N 0.176 119.514 119.950 -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 -0.566 0.000 1.182 441 F CA -1.100 56.331 58.000 -0.948 0.000 1.270 441 F CB -0.689 37.154 39.000 -1.927 0.000 0.979 441 F HN 0.438 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 -0.243 175.037 175.510 -0.383 0.000 1.222 442 N CA 0.283 53.110 53.050 -0.372 0.000 1.187 442 N CB -0.645 37.716 38.487 -0.210 0.000 1.458 442 N HN 0.593 nan 8.380 nan 0.000 0.535 443 I N -2.654 117.572 120.570 -0.574 0.000 3.206 443 I HA 0.614 4.784 4.170 -0.000 0.000 0.313 443 I C -0.392 175.484 176.117 -0.401 0.000 1.103 443 I CA -1.012 60.016 61.300 -0.454 0.000 0.985 443 I CB 2.044 39.727 38.000 -0.528 0.000 1.240 443 I HN -0.041 nan 8.210 nan 0.000 0.464 444 S N 2.001 117.542 115.700 -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 0.226 63.341 63.200 -0.141 0.000 1.407 444 S HN 0.832 nan 8.310 nan 0.000 0.406 445 S N 1.514 117.151 115.700 -0.105 0.000 2.565 445 S HA 0.469 4.939 4.470 -0.000 0.000 0.290 445 S C 1.517 176.115 174.600 -0.005 0.000 1.150 445 S CA 0.189 58.378 58.200 -0.018 0.000 1.058 445 S CB 1.407 64.614 63.200 0.012 0.000 1.032 445 S HN 0.780 nan 8.310 nan 0.000 0.510 446 T N 2.264 116.829 114.554 0.018 0.000 3.072 446 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 446 T C 0.828 175.380 174.700 -0.246 0.000 1.127 446 T CA 0.885 62.913 62.100 -0.121 0.000 1.107 446 T CB -0.471 68.287 68.868 -0.184 0.000 0.910 446 T HN 0.722 nan 8.240 nan 0.000 0.513 447 Y N 1.339 121.594 120.300 -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 -0.696 57.356 58.100 -0.081 0.000 1.288 447 Y CB 0.036 38.429 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 -0.075 177.529 177.584 0.033 0.000 1.235 448 A CA -0.105 51.954 52.037 0.037 0.000 0.876 448 A CB -0.335 18.663 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 0.755 121.379 120.570 0.090 0.000 3.210 450 I HA 0.662 4.832 4.170 -0.000 0.000 0.316 450 I C -1.006 175.115 176.117 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 40.095 38.000 0.195 0.000 1.352 450 I HN 0.709 nan 8.210 nan 0.000 0.565 451 D N 1.311 121.683 120.400 -0.046 0.000 2.738 451 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 451 D C -0.116 176.053 176.300 -0.218 0.000 1.345 451 D CA -0.147 53.783 54.000 -0.118 0.000 0.943 451 D CB 1.689 42.409 40.800 -0.134 0.000 1.514 451 D HN 0.620 nan 8.370 nan 0.000 0.585 452 G N 3.041 111.732 108.800 -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 0.441 175.259 174.900 -0.138 0.000 1.076 452 G CA 0.019 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 -1.883 116.719 118.700 -0.162 0.000 3.550 453 N HA 0.512 5.252 4.740 -0.000 0.000 0.357 453 N C -1.566 173.780 175.510 -0.272 0.000 1.585 453 N CA -0.862 52.090 53.050 -0.163 0.000 0.651 453 N CB 0.971 39.443 38.487 -0.025 0.000 2.273 453 N HN 0.005 nan 8.380 nan 0.000 0.631 454 Y N -0.046 120.273 120.300 0.033 0.000 2.441 454 Y HA 0.285 4.835 4.550 -0.000 0.000 0.334 454 Y C -0.669 175.473 175.900 0.403 0.000 1.061 454 Y CA -1.062 57.106 58.100 0.113 0.000 1.032 454 Y CB 2.335 40.785 38.460 -0.017 0.000 1.266 454 Y HN 0.387 nan 8.280 nan 0.000 0.441 455 K N 2.856 123.620 120.400 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 -0.441 56.135 56.287 0.481 0.000 0.929 455 K CB 0.943 33.608 32.500 0.274 0.000 1.021 455 K HN 0.776 nan 8.250 nan 0.000 0.463 456 Y N 3.094 123.341 120.300 -0.088 0.000 2.587 456 Y HA 0.179 4.729 4.550 -0.000 0.000 0.328 456 Y C -0.187 175.549 175.900 -0.273 0.000 0.980 456 Y CA -0.314 57.418 58.100 -0.613 0.000 1.272 456 Y CB 0.916 38.611 38.460 -1.276 0.000 1.094 456 Y HN 0.707 nan 8.280 nan 0.000 0.503 457 Q N 3.217 122.795 119.800 -0.369 0.000 2.166 457 Q HA 0.327 4.667 4.340 -0.000 0.000 0.226 457 Q C -1.612 174.228 176.000 -0.266 0.000 0.989 457 Q CA -0.986 54.702 55.803 -0.192 0.000 0.966 457 Q CB 1.462 30.166 28.738 -0.057 0.000 1.173 457 Q HN 0.712 nan 8.270 nan 0.000 0.509 458 Y N 0.507 120.682 120.300 -0.209 0.000 2.377 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.339 458 Y C -1.207 174.625 175.900 -0.114 0.000 1.011 458 Y CA -0.908 57.080 58.100 -0.188 0.000 1.093 458 Y CB 1.627 40.009 38.460 -0.129 0.000 1.201 458 Y HN 0.529 nan 8.280 nan 0.000 0.455 459 D N 6.398 126.289 120.400 -0.848 0.000 2.499 459 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 459 D C 0.746 176.550 176.300 -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 2.396 122.415 120.400 -0.635 0.000 2.362 460 K HA -0.224 4.096 4.320 -0.000 0.000 0.202 460 K C 0.379 176.718 176.600 -0.436 0.000 1.045 460 K CA 1.083 57.124 56.287 -0.409 0.000 0.936 460 K CB -0.153 32.237 32.500 -0.182 0.000 0.747 460 K HN 0.352 nan 8.250 nan 0.000 0.467 461 Y N 1.629 121.782 120.300 -0.244 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.231 178.013 175.900 -0.197 0.000 1.109 461 Y CA 0.982 58.956 58.100 -0.210 0.000 1.099 461 Y CB -0.433 37.848 38.460 -0.298 0.000 1.030 461 Y HN 0.084 nan 8.280 nan 0.000 0.495 462 N N 0.210 118.876 118.700 -0.057 0.000 2.512 462 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 462 N C -0.199 175.237 175.510 -0.124 0.000 1.073 462 N CA 1.526 54.522 53.050 -0.089 0.000 0.911 462 N CB -0.327 38.100 38.487 -0.099 0.000 0.964 462 N HN 0.316 nan 8.380 nan 0.000 0.447 463 D N -0.322 119.943 120.400 -0.225 0.000 2.739 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 463 D C -1.383 174.803 176.300 -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 0.145 119.866 119.914 -0.322 0.000 3.049 464 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 464 V C 0.297 176.235 176.094 -0.260 0.000 1.148 464 V CA -1.295 60.892 62.300 -0.188 0.000 0.990 464 V CB 2.166 33.911 31.823 -0.129 0.000 1.039 464 V HN 0.146 nan 8.190 nan 0.000 0.430 465 N N 3.011 121.607 118.700 -0.173 0.000 2.514 465 N HA 0.530 5.270 4.740 -0.000 0.000 0.277 465 N C -0.387 174.801 175.510 -0.536 0.000 1.126 465 N CA -0.216 52.602 53.050 -0.386 0.000 0.978 465 N CB 1.427 39.740 38.487 -0.289 0.000 1.106 465 N HN 0.740 nan 8.380 nan 0.000 0.461 466 R N 1.498 121.528 120.500 -0.783 0.000 2.626 466 R HA 0.270 4.610 4.340 -0.000 0.000 0.274 466 R C -1.499 174.509 176.300 -0.486 0.000 1.031 466 R CA -0.672 55.153 56.100 -0.458 0.000 0.898 466 R CB 1.144 31.304 30.300 -0.233 0.000 1.222 466 R HN 0.466 nan 8.270 nan 0.000 0.455 467 W N 4.235 125.485 121.300 -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 2.027 122.091 119.914 0.251 0.000 2.876 468 V HA 0.642 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 -3.509 58.880 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 0.320 nan 8.190 nan 0.000 0.428 469 P HA 0.029 nan 4.420 nan 0.000 0.264 469 P C 0.351 177.851 177.300 0.334 0.000 1.193 469 P CA 0.088 63.574 63.100 0.644 0.000 0.763 469 P CB 1.177 33.111 31.700 0.389 0.000 0.810 470 L N 4.710 126.056 121.223 0.205 0.000 2.240 470 L HA -0.026 4.313 4.340 -0.000 0.000 0.211 470 L C 2.447 179.349 176.870 0.055 0.000 1.106 470 L CA 1.722 56.625 54.840 0.104 0.000 0.793 470 L CB -1.705 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 0.046 122.874 122.820 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 54.440 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 -0.666 122.210 122.820 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 2.428 54.542 52.037 0.129 0.000 0.649 472 A CB -0.664 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 -0.031 120.458 120.400 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 1.515 55.588 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 2.242 178.288 176.117 -0.119 0.000 1.146 474 I CA 1.654 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 1.919 124.742 122.820 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 53.927 52.037 0.106 0.000 0.623 475 A CB -1.580 17.530 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 -0.057 3.902 3.960 -0.000 0.000 0.218 476 G HA3 -0.057 3.902 3.960 -0.000 0.000 0.218 476 G C 1.333 175.947 174.900 -0.476 0.000 1.140 476 G CA 0.956 45.832 45.100 -0.374 0.000 0.775 476 G HN 0.422 nan 8.290 nan 0.000 0.545 477 L N 0.347 121.131 121.223 -0.732 0.000 2.456 477 L HA 0.090 4.430 4.340 -0.000 0.000 0.224 477 L C 2.308 179.044 176.870 -0.225 0.000 1.148 477 L CA 0.777 55.262 54.840 -0.591 0.000 0.825 477 L CB -0.320 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 2.853 177.833 174.990 -0.018 0.000 1.341 478 C CA 0.184 59.172 59.018 -0.050 0.000 1.732 478 C CB -0.973 26.762 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 -0.001 0.000 2.042 479 A HA -0.184 4.136 4.320 -0.000 0.000 0.222 479 A C 2.086 179.672 177.584 0.003 0.000 1.167 479 A CA 1.604 53.655 52.037 0.023 0.000 0.649 479 A CB -0.370 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 -0.176 120.314 120.500 -0.017 0.000 1.633 480 R HA 0.045 4.385 4.340 -0.000 0.000 0.129 480 R C 0.441 176.741 176.300 -0.001 0.000 0.840 480 R CA 0.843 56.944 56.100 0.002 0.000 1.694 480 R CB -1.589 28.723 30.300 0.020 0.000 0.620 480 R HN 0.357 nan 8.270 nan 0.000 0.667 481 T N 2.801 117.351 114.554 -0.007 0.000 2.777 481 T HA -0.088 4.262 4.350 -0.000 0.000 0.273 481 T C 0.085 174.783 174.700 -0.004 0.000 1.016 481 T CA 0.481 62.578 62.100 -0.006 0.000 1.156 481 T CB -0.260 68.600 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 0.310 176.614 176.300 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 -0.519 118.186 118.700 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 -0.521 52.539 53.050 0.016 0.000 0.931 483 N CB 1.123 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 1.901 110.702 108.800 0.002 0.000 3.313 497 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.659 497 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.659 497 G C -0.746 174.173 174.900 0.031 0.000 1.286 497 G CA -1.014 44.095 45.100 0.016 0.000 1.077 497 G HN 0.040 nan 8.290 nan 0.000 0.551 498 Q N 0.476 120.300 119.800 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 0.242 56.076 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 1.016 nan 8.270 nan 0.000 0.429 499 I N 1.629 122.258 120.570 0.098 0.000 2.677 499 I HA 0.094 4.264 4.170 -0.000 0.000 0.305 499 I C 0.672 176.876 176.117 0.146 0.000 0.988 499 I CA -0.362 61.036 61.300 0.164 0.000 1.260 499 I CB 0.217 38.303 38.000 0.144 0.000 1.410 499 I HN 0.742 nan 8.210 nan 0.000 0.523 500 L N 2.718 124.045 121.223 0.174 0.000 1.982 500 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 500 L C 1.332 178.229 176.870 0.045 0.000 1.078 500 L CA 1.701 56.577 54.840 0.059 0.000 0.749 500 L CB -0.716 41.309 42.059 -0.057 0.000 0.894 500 L HN 0.678 nan 8.230 nan 0.000 0.436 501 N N -1.151 117.585 118.700 0.059 0.000 2.214 501 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 501 N C -0.093 175.452 175.510 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 38.556 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 -0.004 4.116 4.120 -0.000 0.000 0.306 502 V C 1.488 177.620 176.094 0.065 0.000 1.107 502 V CA 0.482 62.830 62.300 0.081 0.000 1.195 502 V CB 0.645 32.526 31.823 0.098 0.000 0.993 502 V HN 0.464 nan 8.190 nan 0.000 0.493 503 I N -0.891 119.727 120.570 0.080 0.000 4.453 503 I HA 0.555 4.725 4.170 -0.000 0.000 0.342 503 I C -0.121 176.048 176.117 0.086 0.000 1.341 503 I CA -0.169 61.178 61.300 0.079 0.000 1.217 503 I CB 0.192 38.245 38.000 0.090 0.000 1.545 503 I HN 0.619 nan 8.210 nan 0.000 0.557 504 K N 1.702 122.156 120.400 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 1.452 33.883 32.500 -0.114 0.000 1.374 504 K HN 0.260 nan 8.250 nan 0.000 0.400 505 L N 2.750 124.100 121.223 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 54.450 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 2.997 126.036 122.820 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 -0.486 18.426 19.000 -0.147 0.000 0.815 506 A HN 0.628 nan 8.150 nan 0.000 0.449 507 I N -4.720 115.889 120.570 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 -0.752 60.571 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 2.679 122.902 120.200 0.039 0.000 2.343 508 E HA 0.268 4.618 4.350 -0.000 0.000 0.286 508 E C -0.517 176.098 176.600 0.025 0.000 0.915 508 E CA -0.165 56.257 56.400 0.037 0.000 0.784 508 E CB 2.632 32.360 29.700 0.047 0.000 1.251 508 E HN 0.888 nan 8.360 nan 0.000 0.407 509 T N -1.068 113.498 114.554 0.021 0.000 3.075 509 T HA 0.344 4.693 4.350 -0.000 0.000 0.251 509 T C -1.121 173.587 174.700 0.014 0.000 0.979 509 T CA -0.036 62.076 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