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_D 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 0.671 119.385 118.700 0.024 0.000 2.862 22 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 22 N C -0.554 174.972 175.510 0.027 0.000 1.116 22 N CA 1.557 54.620 53.050 0.022 0.000 0.727 22 N CB -1.916 36.584 38.487 0.020 0.000 1.083 22 N HN 1.106 nan 8.380 nan 0.000 0.555 23 S N -3.886 111.831 115.700 0.030 0.000 3.807 23 S HA -0.224 4.246 4.470 -0.000 0.000 0.304 23 S C 0.206 174.832 174.600 0.045 0.000 1.152 23 S CA 2.011 60.232 58.200 0.035 0.000 0.852 23 S CB -2.458 60.761 63.200 0.032 0.000 0.924 23 S HN 1.872 nan 8.310 nan 0.000 0.545 24 T N -0.757 113.825 114.554 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 1.522 63.655 62.100 0.055 0.000 2.005 24 T CB -2.024 66.876 68.868 0.055 0.000 1.752 24 T HN 2.379 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 0.226 175.208 174.900 0.136 0.000 0.713 25 G CA 0.185 45.346 45.100 0.102 0.000 2.023 25 G HN 0.684 nan 8.290 nan 0.000 0.529 26 T N 1.707 116.323 114.554 0.105 0.000 2.733 26 T HA 0.564 4.914 4.350 -0.000 0.000 0.294 26 T C 0.768 175.490 174.700 0.036 0.000 0.956 26 T CA -0.036 62.112 62.100 0.079 0.000 0.987 26 T CB 1.411 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 2.977 125.795 122.820 -0.003 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 -0.700 51.214 52.037 -0.205 0.000 0.851 27 A CB 0.449 19.096 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 -1.352 175.939 177.584 -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 19.151 19.000 -1.488 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 0.039 54.762 54.840 -0.195 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 2.874 125.014 122.820 -1.133 0.000 2.422 30 A HA 1.005 5.325 4.320 -0.000 0.000 0.302 30 A C -0.411 176.681 177.584 -0.820 0.000 1.041 30 A CA 0.185 51.494 52.037 -1.214 0.000 0.708 30 A CB 1.516 19.316 19.000 -2.001 0.000 1.257 30 A HN 1.371 nan 8.150 nan 0.000 0.414 31 G N 0.801 109.105 108.800 -0.826 0.000 2.342 31 G HA2 0.469 4.429 3.960 -0.000 0.000 0.297 31 G HA3 0.469 4.429 3.960 -0.000 0.000 0.297 31 G C -1.619 172.294 174.900 -1.645 0.000 1.313 31 G CA -0.968 43.413 45.100 -1.198 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 -1.938 0.000 2.276 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.283 32 K C -1.178 174.752 176.600 -1.116 0.000 1.044 32 K CA 0.106 55.684 56.287 -1.181 0.000 0.944 32 K CB 1.100 33.147 32.500 -0.755 0.000 1.012 32 K HN 0.322 nan 8.250 nan 0.000 0.472 33 F N 0.182 120.003 119.950 -0.215 0.000 2.620 33 F HA 0.174 4.700 4.527 -0.000 0.000 0.320 33 F C 1.570 177.390 175.800 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 40.947 39.000 0.069 0.000 1.322 33 F HN 0.487 nan 8.300 nan 0.000 0.479 34 Q N 0.718 120.727 119.800 0.348 0.000 2.435 34 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 34 Q C -0.835 175.385 176.000 0.366 0.000 0.956 34 Q CA 0.800 56.751 55.803 0.247 0.000 0.917 34 Q CB 0.548 29.387 28.738 0.168 0.000 0.997 34 Q HN 0.576 nan 8.270 nan 0.000 0.497 35 W N -0.509 120.816 121.300 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 30.562 29.460 -0.175 0.000 1.348 35 W HN 0.033 nan 8.180 nan 0.000 0.498 36 G N 4.355 112.627 108.800 -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 -2.452 171.236 174.900 -2.021 0.000 1.302 36 G CA -0.769 43.737 45.100 -0.991 0.000 1.002 36 G HN 0.225 nan 8.290 nan 0.000 0.519 37 P HA 0.264 nan 4.420 nan 0.000 0.268 37 P C -0.526 176.607 177.300 -0.279 0.000 1.205 37 P CA 0.122 62.926 63.100 -0.494 0.000 0.771 37 P CB 1.021 32.598 31.700 -0.204 0.000 0.858 38 A N 3.948 126.661 122.820 -0.179 0.000 2.301 38 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 38 A C 0.008 177.528 177.584 -0.108 0.000 1.185 38 A CA -0.665 51.252 52.037 -0.199 0.000 0.830 38 A CB -0.723 18.230 19.000 -0.079 0.000 1.112 38 A HN 0.508 nan 8.150 nan 0.000 0.508 39 F N -0.310 119.452 119.950 -0.313 0.000 2.943 39 F HA -0.218 4.309 4.527 -0.000 0.000 0.258 39 F C 0.571 176.104 175.800 -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 0.318 119.955 119.800 -0.272 0.000 2.315 40 Q HA 0.473 4.813 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 -1.010 54.731 55.803 -0.104 0.000 0.817 40 Q CB 2.230 30.954 28.738 -0.024 0.000 1.326 40 Q HN 0.176 nan 8.270 nan 0.000 0.423 41 I N 2.216 122.757 120.570 -0.048 0.000 2.528 41 I HA 0.052 4.222 4.170 -0.000 0.000 0.276 41 I C 0.289 176.418 176.117 0.020 0.000 1.056 41 I CA -0.129 61.147 61.300 -0.040 0.000 1.858 41 I CB -1.259 36.731 38.000 -0.015 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 0.060 176.700 176.600 0.065 0.000 1.018 42 K CA 0.255 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 2.418 122.251 119.800 0.056 0.000 2.227 43 Q HA 0.510 4.849 4.340 -0.000 0.000 0.245 43 Q C -1.242 174.782 176.000 0.040 0.000 0.926 43 Q CA -0.885 54.941 55.803 0.039 0.000 0.895 43 Q CB 1.239 30.003 28.738 0.043 0.000 1.230 43 Q HN 0.405 nan 8.270 nan 0.000 0.450 44 V N 2.568 122.488 119.914 0.010 0.000 2.709 44 V HA 0.327 4.447 4.120 -0.000 0.000 0.308 44 V C -0.116 175.990 176.094 0.021 0.000 1.062 44 V CA -0.404 61.902 62.300 0.010 0.000 0.901 44 V CB 2.128 33.918 31.823 -0.055 0.000 1.003 44 V HN 1.056 nan 8.190 nan 0.000 0.425 45 T N 1.695 116.268 114.554 0.032 0.000 3.028 45 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 45 T C 0.526 175.251 174.700 0.042 0.000 0.979 45 T CA 0.049 62.177 62.100 0.047 0.000 1.004 45 T CB 0.253 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 39.849 38.487 0.032 0.000 1.203 46 N HN 0.125 nan 8.380 nan 0.000 0.565 47 E N 0.104 120.323 120.200 0.031 0.000 2.021 47 E HA -0.044 4.306 4.350 -0.000 0.000 0.189 47 E C 0.988 177.633 176.600 0.075 0.000 0.980 47 E CA 0.715 57.139 56.400 0.039 0.000 0.803 47 E CB 0.088 29.843 29.700 0.092 0.000 0.766 47 E HN 0.283 nan 8.360 nan 0.000 0.449 48 V N 1.810 121.780 119.914 0.094 0.000 3.140 48 V HA -0.178 3.942 4.120 -0.000 0.000 0.269 48 V C 1.566 177.704 176.094 0.072 0.000 1.149 48 V CA 1.849 64.211 62.300 0.103 0.000 1.162 48 V CB -0.518 31.355 31.823 0.084 0.000 0.756 48 V HN 0.261 nan 8.190 nan 0.000 0.523 49 D N -0.315 120.115 120.400 0.050 0.000 2.392 49 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 49 D C 1.751 178.073 176.300 0.036 0.000 1.046 49 D CA 0.377 54.400 54.000 0.038 0.000 0.865 49 D CB 0.324 41.145 40.800 0.033 0.000 0.969 49 D HN 0.457 nan 8.370 nan 0.000 0.509 50 L N -1.453 119.779 121.223 0.015 0.000 2.202 50 L HA 0.189 4.529 4.340 -0.000 0.000 0.205 50 L C 1.928 178.829 176.870 0.053 0.000 1.083 50 L CA 0.872 55.722 54.840 0.017 0.000 0.790 50 L CB -1.045 40.896 42.059 -0.197 0.000 0.942 50 L HN -0.181 nan 8.230 nan 0.000 0.452 51 V N 1.544 121.500 119.914 0.071 0.000 2.255 51 V HA -0.309 3.811 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 2.161 64.555 62.300 0.157 0.000 1.018 51 V CB -1.270 30.675 31.823 0.203 0.000 0.641 51 V HN 0.685 nan 8.190 nan 0.000 0.445 52 N N 0.247 118.972 118.700 0.041 0.000 2.133 52 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 52 N C 1.558 177.049 175.510 -0.033 0.000 1.012 52 N CA 2.623 55.672 53.050 -0.001 0.000 0.871 52 N CB -0.234 38.260 38.487 0.012 0.000 1.011 52 N HN 0.572 nan 8.380 nan 0.000 0.435 53 T N -2.401 112.117 114.554 -0.061 0.000 3.018 53 T HA 0.242 4.592 4.350 -0.000 0.000 0.246 53 T C 0.031 174.382 174.700 -0.581 0.000 1.026 53 T CA 0.251 62.162 62.100 -0.314 0.000 1.081 53 T CB 0.252 68.825 68.868 -0.491 0.000 0.970 53 T HN 0.198 nan 8.240 nan 0.000 0.475 54 F N 0.577 120.475 119.950 -0.086 0.000 2.671 54 F HA 0.431 4.958 4.527 -0.000 0.000 0.384 54 F C 1.755 177.565 175.800 0.015 0.000 1.351 54 F CA -1.098 56.831 58.000 -0.118 0.000 1.151 54 F CB -0.035 38.592 39.000 -0.621 0.000 1.147 54 F HN 0.108 nan 8.300 nan 0.000 0.513 55 G N 0.107 109.016 108.800 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 0.897 175.840 174.900 0.071 0.000 1.169 55 G CA 1.135 46.351 45.100 0.193 0.000 0.771 55 G HN 0.247 nan 8.290 nan 0.000 0.598 56 Q N -0.032 119.635 119.800 -0.222 0.000 2.297 56 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 56 Q C -2.773 172.891 176.000 -0.559 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 -0.365 176.844 177.300 -0.152 0.000 1.354 57 P CA -0.272 62.627 63.100 -0.335 0.000 0.814 57 P CB 0.664 32.128 31.700 -0.394 0.000 0.935 58 T N 0.132 114.660 114.554 -0.043 0.000 2.816 58 T HA 0.419 4.769 4.350 -0.000 0.000 0.282 58 T C 1.348 176.047 174.700 -0.002 0.000 0.993 58 T CA -0.282 61.803 62.100 -0.024 0.000 0.994 58 T CB 0.683 69.553 68.868 0.003 0.000 1.025 58 T HN 0.205 nan 8.240 nan 0.000 0.529 59 A N 0.169 122.987 122.820 -0.005 0.000 2.248 59 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 59 A C 1.895 179.493 177.584 0.023 0.000 1.174 59 A CA 1.399 53.439 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 -2.083 118.136 120.200 0.032 0.000 2.511 60 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 60 E C 1.349 177.995 176.600 0.077 0.000 0.986 60 E CA 1.021 57.446 56.400 0.042 0.000 0.974 60 E CB 0.355 30.066 29.700 0.018 0.000 1.030 60 E HN 0.317 nan 8.360 nan 0.000 0.490 61 T N -0.789 113.823 114.554 0.097 0.000 2.999 61 T HA 0.291 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 0.421 62.623 62.100 0.171 0.000 1.048 61 T CB 0.018 68.984 68.868 0.162 0.000 1.020 61 T HN 0.221 nan 8.240 nan 0.000 0.478 62 A N 2.797 125.705 122.820 0.147 0.000 1.861 62 A HA -0.361 3.959 4.320 -0.000 0.000 0.248 62 A C 1.804 179.477 177.584 0.149 0.000 2.075 62 A CA 2.642 54.747 52.037 0.113 0.000 0.818 62 A CB -1.264 17.757 19.000 0.035 0.000 0.844 62 A HN 0.416 nan 8.150 nan 0.000 0.498 63 D N -2.127 118.293 120.400 0.033 0.000 2.354 63 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 63 D C 1.402 177.589 176.300 -0.187 0.000 0.970 63 D CA 1.187 55.116 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 -1.620 118.738 120.300 0.097 0.000 2.441 64 Y HA 0.115 4.665 4.550 -0.000 0.000 0.288 64 Y C 1.901 178.004 175.900 0.338 0.000 1.118 64 Y CA -0.272 57.898 58.100 0.115 0.000 1.215 64 Y CB -0.445 37.890 38.460 -0.207 0.000 1.118 64 Y HN -0.114 nan 8.280 nan 0.000 0.547 65 F N 0.443 120.627 119.950 0.390 0.000 2.031 65 F HA -0.308 4.219 4.527 -0.000 0.000 0.295 65 F C 2.290 178.168 175.800 0.130 0.000 1.133 65 F CA 1.703 59.833 58.000 0.217 0.000 1.188 65 F CB -0.308 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 0.281 120.144 119.600 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 2.037 57.506 55.300 0.281 0.000 1.096 66 M CB -1.253 31.463 32.600 0.193 0.000 1.300 66 M HN 0.229 nan 8.290 nan 0.000 0.411 67 S N -0.552 115.228 115.700 0.133 0.000 2.390 67 S HA -0.289 4.181 4.470 -0.000 0.000 0.234 67 S C 1.870 176.526 174.600 0.093 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 1.788 53.785 52.037 -0.067 0.000 0.609 68 A CB -1.060 17.786 19.000 -0.257 0.000 0.851 68 A HN 0.594 nan 8.150 nan 0.000 0.445 69 M N 0.844 120.390 119.600 -0.090 0.000 2.471 69 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 69 M C 1.590 177.965 176.300 0.123 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 0.359 119.159 118.700 0.168 0.000 2.567 70 N HA -0.133 4.607 4.740 -0.000 0.000 0.195 70 N C 0.878 176.561 175.510 0.288 0.000 1.242 70 N CA 0.693 53.850 53.050 0.177 0.000 0.884 70 N CB -0.945 37.648 38.487 0.178 0.000 1.007 70 N HN 0.639 nan 8.380 nan 0.000 0.450 71 F N 0.187 120.219 119.950 0.137 0.000 2.453 71 F HA 0.256 4.783 4.527 -0.000 0.000 0.284 71 F C 1.503 177.404 175.800 0.168 0.000 1.065 71 F CA -0.175 57.954 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 1.604 123.002 121.223 0.292 0.000 2.651 72 L HA -0.167 4.173 4.340 -0.000 0.000 0.236 72 L C 1.995 178.798 176.870 -0.112 0.000 1.173 72 L CA 1.147 56.043 54.840 0.093 0.000 0.843 72 L CB -1.559 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 -0.849 118.831 119.800 -0.200 0.000 2.172 73 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 73 Q C 1.296 176.949 176.000 -0.578 0.000 0.964 73 Q CA 1.371 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 -0.918 119.202 120.300 -0.300 0.000 2.584 74 Y HA 0.480 5.030 4.550 -0.000 0.000 0.254 74 Y C 1.053 176.680 175.900 -0.455 0.000 1.177 74 Y CA -0.523 57.387 58.100 -0.317 0.000 1.216 74 Y CB 0.529 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 0.340 108.900 108.800 -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 -0.113 174.760 174.900 -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 0.739 119.472 118.700 0.055 0.000 2.324 76 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 76 N C 0.081 175.666 175.510 0.124 0.000 1.046 76 N CA 0.579 53.675 53.050 0.076 0.000 0.898 76 N CB 0.064 38.590 38.487 0.065 0.000 1.079 76 N HN 0.697 nan 8.380 nan 0.000 0.456 77 D N 0.262 120.760 120.400 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 0.133 0.000 1.057 77 D CA -0.596 53.481 54.000 0.129 0.000 0.848 77 D CB 2.165 43.014 40.800 0.083 0.000 1.388 77 D HN 0.016 nan 8.370 nan 0.000 0.475 78 L N 1.628 122.874 121.223 0.038 0.000 2.410 78 L HA 0.526 4.866 4.340 -0.000 0.000 0.270 78 L C -1.103 175.707 176.870 -0.101 0.000 0.983 78 L CA -0.456 54.314 54.840 -0.116 0.000 0.822 78 L CB 1.651 43.584 42.059 -0.209 0.000 1.285 78 L HN 0.320 nan 8.230 nan 0.000 0.409 79 R N 4.827 125.263 120.500 -0.107 0.000 2.338 79 R HA 0.688 5.028 4.340 -0.000 0.000 0.317 79 R C -0.709 175.580 176.300 -0.019 0.000 0.968 79 R CA -0.603 55.497 56.100 0.001 0.000 0.849 79 R CB 1.607 32.001 30.300 0.156 0.000 1.128 79 R HN 0.554 nan 8.270 nan 0.000 0.448 80 V N -0.334 119.538 119.914 -0.071 0.000 3.019 80 V HA 0.792 4.912 4.120 -0.000 0.000 0.317 80 V C -0.579 175.437 176.094 -0.129 0.000 1.094 80 V CA -0.761 61.441 62.300 -0.163 0.000 1.000 80 V CB 2.578 34.107 31.823 -0.491 0.000 1.060 80 V HN 0.354 nan 8.190 nan 0.000 0.443 81 V N 3.121 122.904 119.914 -0.218 0.000 2.567 81 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 81 V C -0.063 175.775 176.094 -0.426 0.000 1.047 81 V CA -0.566 61.515 62.300 -0.364 0.000 0.880 81 V CB 1.486 32.985 31.823 -0.540 0.000 1.009 81 V HN 1.075 nan 8.190 nan 0.000 0.429 82 R N 3.510 123.813 120.500 -0.329 0.000 2.347 82 R HA 0.605 4.945 4.340 -0.000 0.000 0.304 82 R C 0.116 175.964 176.300 -0.755 0.000 1.072 82 R CA -0.045 55.857 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 0.842 nan 8.270 nan 0.000 0.448 83 A N 5.002 127.372 122.820 -0.750 0.000 2.302 83 A HA 0.363 4.683 4.320 -0.000 0.000 0.295 83 A C -0.504 176.771 177.584 -0.515 0.000 1.235 83 A CA -0.515 51.059 52.037 -0.771 0.000 0.876 83 A CB 0.996 19.666 19.000 -0.550 0.000 1.133 83 A HN 0.527 nan 8.150 nan 0.000 0.533 84 V N 2.388 122.038 119.914 -0.441 0.000 2.881 84 V HA 0.287 4.407 4.120 -0.000 0.000 0.316 84 V C -0.219 175.903 176.094 0.046 0.000 1.070 84 V CA -0.569 61.654 62.300 -0.129 0.000 0.976 84 V CB 2.180 33.974 31.823 -0.048 0.000 1.038 84 V HN 1.039 nan 8.190 nan 0.000 0.446 85 D N 1.697 122.112 120.400 0.025 0.000 2.308 85 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 85 D C 0.905 177.245 176.300 0.067 0.000 1.127 85 D CA -0.044 53.986 54.000 0.049 0.000 0.876 85 D CB 1.033 41.842 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 0.602 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 -1.026 119.374 120.400 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 1.369 55.364 54.000 -0.008 0.000 0.868 87 D CB 0.666 41.464 40.800 -0.004 0.000 0.943 87 D HN 0.314 nan 8.370 nan 0.000 0.514 88 T N -3.004 111.548 114.554 -0.004 0.000 3.328 88 T HA 0.495 4.845 4.350 -0.000 0.000 0.305 88 T C 0.367 175.063 174.700 -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 1.809 124.625 122.820 -0.007 0.000 2.322 89 A HA 0.765 5.085 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 51.597 52.037 -0.012 0.000 0.807 89 A CB 0.550 19.543 19.000 -0.012 0.000 1.047 89 A HN 0.251 nan 8.150 nan 0.000 0.487 90 K N 1.330 121.718 120.400 -0.021 0.000 2.501 90 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 90 K C -1.538 175.046 176.600 -0.026 0.000 0.934 90 K CA -0.492 55.777 56.287 -0.029 0.000 0.797 90 K CB 1.770 34.263 32.500 -0.011 0.000 1.270 90 K HN 0.759 nan 8.250 nan 0.000 0.431 91 N N 0.347 119.011 118.700 -0.060 0.000 2.444 91 N HA 0.189 4.929 4.740 -0.000 0.000 0.271 91 N C -0.595 174.910 175.510 -0.008 0.000 1.069 91 N CA -0.050 52.967 53.050 -0.054 0.000 0.965 91 N CB 0.814 39.225 38.487 -0.126 0.000 1.092 91 N HN 0.341 nan 8.380 nan 0.000 0.476 92 S N 0.946 116.675 115.700 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 57.863 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 0.964 116.692 115.700 0.047 0.000 2.656 93 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 93 S C -3.013 171.610 174.600 0.039 0.000 1.168 93 S CA -1.356 56.881 58.200 0.062 0.000 0.817 93 S CB 1.510 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 63.113 63.100 -0.024 0.000 0.792 94 P CB -0.125 31.522 31.700 -0.087 0.000 0.997 95 I N 0.377 120.925 120.570 -0.037 0.000 2.315 95 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 95 I C 1.943 177.983 176.117 -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 -0.106 122.682 122.820 -0.053 0.000 2.281 96 A HA 0.365 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 0.885 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 0.622 175.448 174.900 -0.124 0.000 1.063 97 G CA -0.250 44.808 45.100 -0.070 0.000 0.790 97 G HN 0.393 nan 8.290 nan 0.000 0.599 98 N N 0.210 118.767 118.700 -0.239 0.000 2.202 98 N HA 0.071 4.811 4.740 -0.000 0.000 0.228 98 N C -0.480 174.891 175.510 -0.230 0.000 1.340 98 N CA 0.397 53.240 53.050 -0.345 0.000 0.865 98 N CB 0.732 38.626 38.487 -0.988 0.000 1.062 98 N HN 0.266 nan 8.380 nan 0.000 0.452 99 I N -0.081 120.417 120.570 -0.121 0.000 2.512 99 I HA 0.117 4.287 4.170 -0.000 0.000 0.287 99 I C -0.393 175.842 176.117 0.197 0.000 1.069 99 I CA -0.663 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 6.861 127.126 120.200 0.108 0.000 2.696 100 E HA -0.050 4.300 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 1.158 57.636 56.400 0.131 0.000 0.964 100 E CB 0.267 29.988 29.700 0.034 0.000 0.948 100 E HN 0.577 nan 8.360 nan 0.000 0.472 101 Y N -2.165 118.183 120.300 0.079 0.000 2.521 101 Y HA 0.387 4.937 4.550 -0.000 0.000 0.326 101 Y C -1.461 174.433 175.900 -0.010 0.000 1.176 101 Y CA -0.920 57.200 58.100 0.033 0.000 1.079 101 Y CB 1.015 39.502 38.460 0.046 0.000 1.341 101 Y HN 0.192 nan 8.280 nan 0.000 0.456 102 T N 4.773 119.397 114.554 0.116 0.000 2.949 102 T HA 0.419 4.769 4.350 -0.000 0.000 0.300 102 T C -0.400 174.359 174.700 0.098 0.000 0.988 102 T CA -0.567 61.536 62.100 0.005 0.000 0.993 102 T CB 1.156 70.007 68.868 -0.029 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.068 123.697 120.570 0.099 0.000 2.624 103 I HA -0.014 4.156 4.170 -0.000 0.000 0.307 103 I C 1.594 177.727 176.117 0.027 0.000 1.191 103 I CA 0.005 61.346 61.300 0.069 0.000 1.708 103 I CB -0.166 37.866 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 1.387 59.599 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 2.492 117.056 114.554 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 -1.206 60.906 62.100 0.019 0.000 1.025 105 T CB 1.897 70.783 68.868 0.029 0.000 1.002 105 T HN -0.111 nan 8.240 nan 0.000 0.453 106 P HA 0.229 nan 4.420 nan 0.000 0.264 106 P C 0.762 178.093 177.300 0.052 0.000 1.193 106 P CA 0.125 63.228 63.100 0.005 0.000 0.763 106 P CB 0.506 32.216 31.700 0.018 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 45.164 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 0.083 174.712 174.600 0.047 0.000 1.138 108 S CA -0.235 58.053 58.200 0.146 0.000 0.844 108 S CB 1.813 65.051 63.200 0.063 0.000 1.127 108 S HN 0.700 nan 8.310 nan 0.000 0.474 109 N N -0.493 118.222 118.700 0.025 0.000 2.681 109 N HA -0.169 4.571 4.740 -0.000 0.000 0.250 109 N C -0.849 174.596 175.510 -0.108 0.000 1.133 109 N CA 1.179 54.200 53.050 -0.049 0.000 0.732 109 N CB -1.726 36.701 38.487 -0.100 0.000 1.107 109 N HN 0.705 nan 8.380 nan 0.000 0.559 110 Y N 0.093 120.397 120.300 0.007 0.000 2.289 110 Y HA 0.552 5.102 4.550 -0.000 0.000 0.332 110 Y C 1.171 177.075 175.900 0.007 0.000 1.324 110 Y CA 0.381 58.485 58.100 0.006 0.000 1.478 110 Y CB 0.732 39.196 38.460 0.006 0.000 1.378 110 Y HN 0.153 nan 8.280 nan 0.000 0.558 111 A N -0.431 122.506 122.820 0.195 0.000 2.507 111 A HA 0.557 4.877 4.320 -0.000 0.000 0.284 111 A C 0.140 177.778 177.584 0.091 0.000 1.281 111 A CA -0.522 51.578 52.037 0.105 0.000 0.744 111 A CB 0.307 19.344 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 0.136 4.256 4.120 -0.000 0.000 0.256 112 V C 1.570 177.685 176.094 0.034 0.000 1.082 112 V CA 1.983 64.309 62.300 0.044 0.000 1.105 112 V CB 0.039 31.884 31.823 0.037 0.000 0.713 112 V HN 1.082 nan 8.190 nan 0.000 0.473 113 G N -0.600 108.220 108.800 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 -0.537 174.380 174.900 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 1.590 122.017 120.400 0.045 0.000 2.351 114 D HA 0.204 4.844 4.640 -0.000 0.000 0.251 114 D C 0.451 176.773 176.300 0.037 0.000 1.137 114 D CA 0.390 54.426 54.000 0.060 0.000 0.879 114 D CB 1.489 42.362 40.800 0.123 0.000 1.181 114 D HN 0.142 nan 8.370 nan 0.000 0.448 115 K N 2.005 122.423 120.400 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 1.397 33.904 32.500 0.012 0.000 0.998 115 K HN 0.342 nan 8.250 nan 0.000 0.468 116 I N 0.816 121.383 120.570 -0.005 0.000 2.603 116 I HA 0.262 4.432 4.170 -0.000 0.000 0.300 116 I C -0.285 175.835 176.117 0.004 0.000 1.017 116 I CA -0.736 60.559 61.300 -0.010 0.000 1.098 116 I CB 2.334 40.306 38.000 -0.046 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.073 118.638 114.554 0.018 0.000 2.879 117 T HA 0.417 4.767 4.350 -0.000 0.000 0.290 117 T C -0.562 174.171 174.700 0.055 0.000 0.993 117 T CA -0.446 61.675 62.100 0.035 0.000 0.975 117 T CB 1.836 70.725 68.868 0.035 0.000 0.981 117 T HN 0.184 nan 8.240 nan 0.000 0.439 118 V N 4.590 124.552 119.914 0.081 0.000 2.370 118 V HA 0.445 4.565 4.120 -0.000 0.000 0.279 118 V C 0.085 176.274 176.094 0.159 0.000 1.029 118 V CA -0.767 61.614 62.300 0.135 0.000 0.870 118 V CB 0.995 32.919 31.823 0.168 0.000 0.984 118 V HN 0.712 nan 8.190 nan 0.000 0.451 119 K N 3.543 124.030 120.400 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 2.044 34.570 32.500 0.043 0.000 1.100 119 K HN 0.579 nan 8.250 nan 0.000 0.434 120 Y N 2.571 122.729 120.300 -0.238 0.000 2.491 120 Y HA 0.164 4.714 4.550 -0.000 0.000 0.334 120 Y C -0.538 175.150 175.900 -0.353 0.000 0.969 120 Y CA -1.534 56.228 58.100 -0.565 0.000 1.241 120 Y CB -0.087 37.890 38.460 -0.804 0.000 1.105 120 Y HN 0.398 nan 8.280 nan 0.000 0.503 121 V N 4.703 124.445 119.914 -0.287 0.000 5.981 121 V HA -0.294 3.826 4.120 -0.000 0.000 0.233 121 V C 0.835 176.810 176.094 -0.198 0.000 0.653 121 V CA 1.186 63.309 62.300 -0.295 0.000 0.677 121 V CB -2.461 29.067 31.823 -0.493 0.000 0.632 121 V HN 0.954 nan 8.190 nan 0.000 0.464 122 S N -0.235 115.402 115.700 -0.106 0.000 3.521 122 S HA -0.207 4.263 4.470 -0.000 0.000 0.362 122 S C 0.124 174.683 174.600 -0.069 0.000 1.044 122 S CA 1.507 59.666 58.200 -0.068 0.000 1.091 122 S CB -0.599 62.563 63.200 -0.063 0.000 0.908 122 S HN 1.057 nan 8.310 nan 0.000 0.473 123 D N 0.869 121.227 120.400 -0.070 0.000 2.863 123 D HA 0.331 4.971 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 -0.563 53.407 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 3.519 123.930 120.400 0.017 0.000 2.417 124 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 124 D C 1.185 177.525 176.300 0.068 0.000 1.166 124 D CA -0.105 53.921 54.000 0.043 0.000 0.881 124 D CB 1.253 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 0.619 121.252 120.570 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 1.437 121.700 120.200 0.105 0.000 2.222 126 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 126 E C -0.075 176.555 176.600 0.050 0.000 0.884 126 E CA -0.165 56.276 56.400 0.069 0.000 0.764 126 E CB 1.429 31.170 29.700 0.067 0.000 1.169 126 E HN 0.220 nan 8.360 nan 0.000 0.413 127 T N 0.851 115.423 114.554 0.030 0.000 3.399 127 T HA 0.302 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 1.166 121.365 120.200 -0.000 0.000 2.583 128 E HA 0.334 4.684 4.350 -0.000 0.000 0.213 128 E C 1.181 177.767 176.600 -0.023 0.000 0.989 128 E CA -0.183 56.209 56.400 -0.014 0.000 0.991 128 E CB 0.680 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 1.977 110.766 108.800 -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 44.913 45.100 -0.034 0.000 0.866 129 G HN 0.090 nan 8.290 nan 0.000 0.572 130 K N 0.166 120.540 120.400 -0.043 0.000 2.584 130 K HA 0.243 4.563 4.320 -0.000 0.000 0.260 130 K C -0.787 175.789 176.600 -0.040 0.000 0.949 130 K CA -0.949 55.319 56.287 -0.030 0.000 0.888 130 K CB 0.881 33.373 32.500 -0.013 0.000 1.330 130 K HN 0.356 nan 8.250 nan 0.000 0.432 131 I N 2.572 123.116 120.570 -0.043 0.000 2.948 131 I HA -0.158 4.012 4.170 -0.000 0.000 0.303 131 I C 1.045 177.156 176.117 -0.010 0.000 1.224 131 I CA 1.005 62.277 61.300 -0.047 0.000 1.442 131 I CB 0.510 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 0.457 115.009 114.554 -0.002 0.000 3.041 132 T HA 0.229 4.579 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 1.372 121.585 120.200 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 32.118 29.700 0.026 0.000 1.286 133 E HN 0.280 nan 8.360 nan 0.000 0.401 134 V N 0.790 120.722 119.914 0.031 0.000 3.103 134 V HA 0.650 4.770 4.120 -0.000 0.000 0.318 134 V C 0.028 176.143 176.094 0.036 0.000 1.114 134 V CA -0.678 61.645 62.300 0.038 0.000 1.020 134 V CB 1.645 33.505 31.823 0.062 0.000 1.085 134 V HN 0.756 nan 8.190 nan 0.000 0.446 135 D N 1.309 121.732 120.400 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 0.139 54.158 54.000 0.032 0.000 1.100 135 D CB 0.546 41.362 40.800 0.027 0.000 1.166 135 D HN 0.752 nan 8.370 nan 0.000 0.584 136 A N -0.918 121.919 122.820 0.029 0.000 2.067 136 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 136 A C 1.105 178.706 177.584 0.028 0.000 1.156 136 A CA 1.150 53.203 52.037 0.026 0.000 0.683 136 A CB -0.420 18.592 19.000 0.020 0.000 0.808 136 A HN 0.437 nan 8.150 nan 0.000 0.455 137 D N -1.529 118.892 120.400 0.034 0.000 2.369 137 D HA 0.280 4.920 4.640 -0.000 0.000 0.211 137 D C 1.299 177.631 176.300 0.054 0.000 1.077 137 D CA 0.962 54.983 54.000 0.036 0.000 0.842 137 D CB 0.289 41.109 40.800 0.035 0.000 0.947 137 D HN 0.535 nan 8.370 nan 0.000 0.509 138 G N 1.306 110.147 108.800 0.069 0.000 2.157 138 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.248 138 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.248 138 G C 0.217 175.213 174.900 0.160 0.000 0.979 138 G CA -0.259 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 0.692 121.154 120.400 0.105 0.000 2.447 139 K HA 0.304 4.624 4.320 -0.000 0.000 0.281 139 K C 1.047 177.675 176.600 0.048 0.000 1.031 139 K CA -0.029 56.309 56.287 0.085 0.000 1.019 139 K CB 0.549 33.080 32.500 0.053 0.000 0.918 139 K HN 0.380 nan 8.250 nan 0.000 0.476 140 I N 4.699 125.267 120.570 -0.004 0.000 2.505 140 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 140 I C 1.202 177.303 176.117 -0.027 0.000 1.104 140 I CA 0.147 61.407 61.300 -0.066 0.000 1.387 140 I CB 0.395 38.270 38.000 -0.208 0.000 1.404 140 I HN 0.528 nan 8.210 nan 0.000 0.528 141 K N 5.148 125.543 120.400 -0.008 0.000 2.313 141 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 141 K C 0.426 177.035 176.600 0.016 0.000 1.061 141 K CA 0.573 56.862 56.287 0.004 0.000 0.980 141 K CB 0.548 33.052 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 -1.281 175.318 176.600 -0.002 0.000 0.932 142 K CA -0.516 55.797 56.287 0.042 0.000 0.820 142 K CB 1.636 34.156 32.500 0.034 0.000 1.345 142 K HN 0.036 nan 8.250 nan 0.000 0.432 143 I N -0.369 120.174 120.570 -0.045 0.000 3.206 143 I HA 0.618 4.788 4.170 -0.000 0.000 0.313 143 I C -1.470 174.573 176.117 -0.124 0.000 1.103 143 I CA -0.890 60.317 61.300 -0.156 0.000 0.985 143 I CB 2.446 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 2.928 121.573 118.700 -0.091 0.000 2.571 144 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 144 N C -1.843 173.652 175.510 -0.024 0.000 1.138 144 N CA -0.358 52.701 53.050 0.015 0.000 0.859 144 N CB 1.908 40.469 38.487 0.123 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.931 124.486 120.570 -0.025 0.000 2.312 145 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 145 I C -2.086 174.032 176.117 0.003 0.000 1.008 145 I CA -2.006 59.278 61.300 -0.027 0.000 1.226 145 I CB 1.578 39.551 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 0.569 177.859 177.300 -0.017 0.000 1.216 146 P CA -0.177 62.906 63.100 -0.027 0.000 0.776 146 P CB 0.665 32.336 31.700 -0.048 0.000 0.881 147 T N -1.633 112.909 114.554 -0.020 0.000 3.044 147 T HA 0.311 4.661 4.350 -0.000 0.000 0.260 147 T C 1.518 176.208 174.700 -0.017 0.000 1.019 147 T CA 0.335 62.420 62.100 -0.025 0.000 0.921 147 T CB -0.306 68.539 68.868 -0.039 0.000 1.053 147 T HN 0.224 nan 8.240 nan 0.000 0.533 148 A N 3.193 126.005 122.820 -0.013 0.000 1.859 148 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 148 A C 2.347 179.930 177.584 -0.001 0.000 1.198 148 A CA 1.861 53.892 52.037 -0.009 0.000 0.629 148 A CB -0.619 18.374 19.000 -0.012 0.000 0.830 148 A HN 0.559 nan 8.150 nan 0.000 0.446 149 K N -0.295 120.111 120.400 0.011 0.000 2.057 149 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 149 K C 1.916 178.548 176.600 0.052 0.000 1.050 149 K CA 1.591 57.898 56.287 0.034 0.000 0.935 149 K CB -0.438 32.090 32.500 0.047 0.000 0.715 149 K HN 0.753 nan 8.250 nan 0.000 0.439 150 I N 0.493 121.084 120.570 0.035 0.000 2.233 150 I HA -0.166 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 1.096 62.402 61.300 0.011 0.000 1.380 150 I CB -0.932 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 1.183 121.721 120.570 -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 -0.892 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 0.063 120.519 120.400 0.094 0.000 2.127 153 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 153 K C 1.910 178.626 176.600 0.193 0.000 1.047 153 K CA 2.021 58.413 56.287 0.175 0.000 0.927 153 K CB -0.591 32.083 32.500 0.290 0.000 0.716 153 K HN 0.400 nan 8.250 nan 0.000 0.450 154 A N 0.523 123.429 122.820 0.144 0.000 1.873 154 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 154 A C 2.012 179.666 177.584 0.115 0.000 1.186 154 A CA 1.791 53.897 52.037 0.116 0.000 0.616 154 A CB -0.470 18.447 19.000 -0.140 0.000 0.823 154 A HN 0.360 nan 8.150 nan 0.000 0.442 155 K N -0.443 119.965 120.400 0.014 0.000 2.063 155 K HA -0.209 4.111 4.320 -0.000 0.000 0.208 155 K C 2.058 178.659 176.600 0.002 0.000 1.048 155 K CA 1.601 57.839 56.287 -0.082 0.000 0.928 155 K CB -0.139 32.195 32.500 -0.276 0.000 0.713 155 K HN 0.735 nan 8.250 nan 0.000 0.442 156 E N 1.053 121.272 120.200 0.031 0.000 2.333 156 E HA -0.128 4.222 4.350 -0.000 0.000 0.198 156 E C 0.664 177.318 176.600 0.090 0.000 1.007 156 E CA 1.120 57.552 56.400 0.054 0.000 0.845 156 E CB 0.327 30.067 29.700 0.067 0.000 0.766 156 E HN 0.191 nan 8.360 nan 0.000 0.507 157 V N -3.624 116.365 119.914 0.124 0.000 2.925 157 V HA 0.525 4.645 4.120 -0.000 0.000 0.361 157 V C 0.843 177.028 176.094 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 1.134 110.007 108.800 0.122 0.000 2.270 158 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.268 158 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.268 158 G C 0.309 175.292 174.900 0.138 0.000 0.982 158 G CA 0.792 45.962 45.100 0.117 0.000 0.628 158 G HN 0.709 nan 8.290 nan 0.000 0.544 159 E N -0.184 120.118 120.200 0.170 0.000 2.452 159 E HA 0.395 4.745 4.350 -0.000 0.000 0.293 159 E C -0.598 176.060 176.600 0.095 0.000 1.535 159 E CA -0.375 56.123 56.400 0.165 0.000 1.816 159 E CB 0.082 29.969 29.700 0.312 0.000 1.494 159 E HN 0.567 nan 8.360 nan 0.000 0.464 160 Y N 0.580 120.858 120.300 -0.037 0.000 2.373 160 Y HA 0.320 4.869 4.550 -0.000 0.000 0.336 160 Y C -2.265 173.600 175.900 -0.059 0.000 0.979 160 Y CA -2.223 55.825 58.100 -0.087 0.000 1.080 160 Y CB 1.809 40.222 38.460 -0.077 0.000 1.190 160 Y HN -0.003 nan 8.280 nan 0.000 0.446 161 P HA 0.109 nan 4.420 nan 0.000 0.266 161 P C 1.030 178.112 177.300 -0.362 0.000 1.381 161 P CA 0.444 63.084 63.100 -0.768 0.000 0.940 161 P CB 0.341 31.511 31.700 -0.885 0.000 1.435 162 T N -0.353 114.080 114.554 -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 1.050 63.087 62.100 -0.106 0.000 1.183 162 T CB -1.131 67.725 68.868 -0.021 0.000 0.863 162 T HN 0.045 nan 8.240 nan 0.000 0.418 163 L N -0.273 120.881 121.223 -0.115 0.000 7.692 163 L HA -0.195 4.145 4.340 -0.000 0.000 0.063 163 L C 1.877 178.819 176.870 0.120 0.000 1.303 163 L CA 1.097 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 0.906 nan 8.230 nan 0.000 1.176 164 G N -1.546 107.354 108.800 0.167 0.000 3.329 164 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G C 0.903 175.956 174.900 0.255 0.000 1.358 164 G CA 1.488 46.701 45.100 0.189 0.000 0.856 164 G HN 0.846 nan 8.290 nan 0.000 0.551 165 S N 0.843 116.702 115.700 0.266 0.000 2.345 165 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 165 S C 1.844 176.539 174.600 0.159 0.000 1.031 165 S CA 1.819 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 0.630 nan 8.310 nan 0.000 0.451 166 N N -0.499 118.301 118.700 0.167 0.000 2.236 166 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 166 N C -1.041 174.451 175.510 -0.029 0.000 1.114 166 N CA 0.020 53.094 53.050 0.040 0.000 0.859 166 N CB 0.056 38.568 38.487 0.041 0.000 0.982 166 N HN 0.402 nan 8.380 nan 0.000 0.493 167 W N 2.205 123.592 121.300 0.145 0.000 2.338 167 W HA 0.368 5.028 4.660 -0.000 0.000 0.307 167 W C 0.559 177.124 176.519 0.077 0.000 1.167 167 W CA -0.364 57.042 57.345 0.103 0.000 1.208 167 W CB 0.973 30.448 29.460 0.025 0.000 1.228 167 W HN -0.165 nan 8.180 nan 0.000 0.499 168 T N 0.007 114.717 114.554 0.260 0.000 2.896 168 T HA 0.889 5.238 4.350 -0.000 0.000 0.297 168 T C -0.938 173.847 174.700 0.142 0.000 1.108 168 T CA -1.146 61.051 62.100 0.162 0.000 1.004 168 T CB 1.990 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 1.761 124.640 122.820 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 3.067 123.291 120.200 0.039 0.000 2.339 170 E HA 0.747 5.097 4.350 -0.000 0.000 0.262 170 E C -0.786 175.832 176.600 0.031 0.000 0.934 170 E CA -0.907 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 0.582 121.181 120.570 0.049 0.000 3.223 171 I HA 0.165 4.335 4.170 -0.000 0.000 0.317 171 I C 0.997 177.155 176.117 0.068 0.000 1.050 171 I CA -0.762 60.578 61.300 0.066 0.000 1.069 171 I CB 1.192 39.281 38.000 0.150 0.000 1.406 171 I HN 0.602 nan 8.210 nan 0.000 0.596 172 S N 1.119 116.865 115.700 0.076 0.000 2.569 172 S HA 0.029 4.499 4.470 -0.000 0.000 0.274 172 S C 0.336 174.968 174.600 0.053 0.000 1.353 172 S CA -0.287 57.947 58.200 0.056 0.000 1.023 172 S CB 0.194 63.427 63.200 0.056 0.000 0.876 172 S HN 0.677 nan 8.310 nan 0.000 0.540 173 S N 2.195 117.915 115.700 0.034 0.000 2.217 173 S HA 0.590 5.060 4.470 -0.000 0.000 0.168 173 S C -0.464 174.145 174.600 0.014 0.000 1.526 173 S CA -0.545 57.670 58.200 0.025 0.000 1.150 173 S CB -0.181 63.031 63.200 0.021 0.000 1.158 173 S HN 0.730 nan 8.310 nan 0.000 0.473 174 S N 0.810 116.516 115.700 0.011 0.000 2.638 174 S HA 0.789 5.259 4.470 -0.000 0.000 0.274 174 S C -0.090 174.517 174.600 0.012 0.000 1.157 174 S CA -0.587 57.623 58.200 0.018 0.000 0.826 174 S CB 0.846 64.049 63.200 0.006 0.000 1.139 174 S HN 0.991 nan 8.310 nan 0.000 0.474 175 S N 0.898 116.615 115.700 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 0.156 58.365 58.200 0.015 0.000 0.984 175 S CB 0.011 63.272 63.200 0.103 0.000 0.941 175 S HN 0.790 nan 8.310 nan 0.000 0.576 176 S N 1.018 116.676 115.700 -0.070 0.000 2.365 176 S HA 0.102 4.572 4.470 -0.000 0.000 0.225 176 S C 1.169 175.654 174.600 -0.191 0.000 1.039 176 S CA 1.116 59.257 58.200 -0.098 0.000 1.033 176 S CB -1.004 62.156 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 0.679 4.639 3.960 -0.000 0.000 0.328 177 G HA3 0.679 4.639 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 -2.155 118.675 121.223 -0.656 0.000 2.422 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.263 178 L C 1.332 178.247 176.870 0.076 0.000 1.110 178 L CA -0.313 54.345 54.840 -0.303 0.000 1.065 178 L CB 1.093 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 16.498 19.000 0.120 0.000 1.105 179 A HN 1.790 nan 8.150 nan 0.000 0.907 180 A N -0.874 122.101 122.820 0.259 0.000 2.287 180 A HA 0.653 4.973 4.320 -0.000 0.000 0.273 180 A C 0.184 177.787 177.584 0.032 0.000 1.091 180 A CA 0.497 52.574 52.037 0.066 0.000 0.817 180 A CB 0.966 19.825 19.000 -0.235 0.000 1.069 180 A HN 1.444 nan 8.150 nan 0.000 0.492 181 V N 2.401 122.313 119.914 -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 0.753 32.593 31.823 0.028 0.000 1.040 181 V HN 0.699 nan 8.190 nan 0.000 0.457 182 I N 3.082 123.656 120.570 0.008 0.000 2.385 182 I HA 0.532 4.702 4.170 -0.000 0.000 0.294 182 I C 0.310 176.466 176.117 0.064 0.000 0.988 182 I CA -0.028 61.292 61.300 0.034 0.000 1.265 182 I CB 1.856 39.851 38.000 -0.010 0.000 1.388 182 I HN 0.415 nan 8.210 nan 0.000 0.480 183 T N 7.044 121.656 114.554 0.097 0.000 2.809 183 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 183 T C -0.235 174.537 174.700 0.120 0.000 0.992 183 T CA -0.500 61.656 62.100 0.093 0.000 0.957 183 T CB 0.929 69.839 68.868 0.069 0.000 0.942 183 T HN 0.278 nan 8.240 nan 0.000 0.439 184 L N 3.123 124.416 121.223 0.117 0.000 2.276 184 L HA 0.606 4.946 4.340 -0.000 0.000 0.286 184 L C 1.163 178.083 176.870 0.083 0.000 1.061 184 L CA -0.412 54.500 54.840 0.120 0.000 0.807 184 L CB 1.017 43.154 42.059 0.129 0.000 1.177 184 L HN 0.778 nan 8.230 nan 0.000 0.429 185 G N 3.279 112.114 108.800 0.059 0.000 3.075 185 G HA2 0.397 4.357 3.960 -0.000 0.000 0.156 185 G HA3 0.397 4.357 3.960 -0.000 0.000 0.156 185 G C -0.439 174.432 174.900 -0.048 0.000 1.403 185 G CA -0.532 44.575 45.100 0.013 0.000 1.033 185 G HN 0.540 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 -0.589 175.906 176.600 -0.175 0.000 1.015 186 K CA -0.842 55.352 56.287 -0.155 0.000 0.922 186 K CB 1.470 33.879 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 0.061 4.231 4.170 -0.000 0.000 0.289 187 I C 0.501 176.490 176.117 -0.215 0.000 1.083 187 I CA -0.235 60.915 61.300 -0.251 0.000 1.372 187 I CB -0.424 37.373 38.000 -0.338 0.000 1.408 187 I HN 0.478 nan 8.210 nan 0.000 0.516 188 I N 6.213 126.690 120.570 -0.155 0.000 2.587 188 I HA 0.029 4.199 4.170 -0.000 0.000 0.284 188 I C 1.232 177.283 176.117 -0.110 0.000 1.134 188 I CA 0.076 61.302 61.300 -0.122 0.000 1.410 188 I CB -0.010 37.920 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 0.418 175.100 174.700 -0.030 0.000 1.038 189 T CA -0.299 61.764 62.100 -0.061 0.000 0.962 189 T CB -0.056 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 2.725 123.107 120.400 -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 1.434 42.230 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 -0.105 4.365 4.470 -0.000 0.000 0.237 191 S C 1.689 176.345 174.600 0.093 0.000 1.023 191 S CA 1.022 59.247 58.200 0.042 0.000 0.991 191 S CB -0.554 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 0.331 109.163 108.800 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 -0.325 174.553 174.900 -0.036 0.000 1.022 192 G CA 0.239 45.392 45.100 0.089 0.000 0.741 192 G HN 1.090 nan 8.290 nan 0.000 0.508 193 I N -0.768 119.703 120.570 -0.164 0.000 2.753 193 I HA 0.688 4.858 4.170 -0.000 0.000 0.291 193 I C -1.381 174.590 176.117 -0.243 0.000 1.425 193 I CA -1.159 59.920 61.300 -0.369 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 -1.749 174.998 176.870 -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 5.196 126.283 121.223 -0.226 0.000 2.272 195 L HA 0.648 4.988 4.340 -0.000 0.000 0.289 195 L C 0.372 177.140 176.870 -0.170 0.000 1.032 195 L CA -0.108 54.572 54.840 -0.266 0.000 0.810 195 L CB 1.383 43.197 42.059 -0.409 0.000 1.205 195 L HN 0.793 nan 8.230 nan 0.000 0.422 196 A N 3.225 125.972 122.820 -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 -0.131 51.898 52.037 -0.014 0.000 1.564 196 A CB -0.070 18.959 19.000 0.048 0.000 1.096 196 A HN 0.612 nan 8.150 nan 0.000 0.441 197 E N -0.196 120.009 120.200 0.009 0.000 2.421 197 E HA 0.278 4.628 4.350 -0.000 0.000 0.253 197 E C 0.666 177.243 176.600 -0.039 0.000 1.277 197 E CA -0.147 56.270 56.400 0.028 0.000 0.968 197 E CB 0.382 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 1.062 121.624 120.570 -0.012 0.000 3.854 198 I HA -0.080 4.089 4.170 -0.000 0.000 0.312 198 I C 1.758 177.873 176.117 -0.003 0.000 1.273 198 I CA 0.540 61.827 61.300 -0.023 0.000 1.298 198 I CB -0.986 37.025 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 0.768 177.360 176.600 -0.013 0.000 0.991 199 E CA 1.349 57.748 56.400 -0.002 0.000 0.810 199 E CB -0.412 29.282 29.700 -0.010 0.000 0.742 199 E HN 0.416 nan 8.360 nan 0.000 0.466 200 N N 0.978 119.658 118.700 -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 0.277 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 1.769 179.288 177.584 -0.107 0.000 1.409 201 A CA 2.685 54.626 52.037 -0.160 0.000 1.062 201 A CB -1.101 17.906 19.000 0.011 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 1.338 177.989 176.600 0.086 0.000 1.069 202 E CA 1.182 57.696 56.400 0.190 0.000 0.876 202 E CB -0.814 29.043 29.700 0.262 0.000 0.843 202 E HN 0.665 nan 8.360 nan 0.000 0.530 203 A N 0.908 123.747 122.820 0.031 0.000 2.066 203 A HA 0.276 4.596 4.320 -0.000 0.000 0.218 203 A C 2.324 179.901 177.584 -0.011 0.000 1.157 203 A CA 1.173 53.220 52.037 0.017 0.000 0.670 203 A CB -0.383 18.618 19.000 0.002 0.000 0.804 203 A HN 0.394 nan 8.150 nan 0.000 0.453 204 A N -1.193 121.589 122.820 -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 -0.119 0.000 0.697 204 A CB -0.282 18.602 19.000 -0.195 0.000 0.827 204 A HN 0.361 nan 8.150 nan 0.000 0.457 205 M N 0.229 119.788 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.102 176.545 176.300 0.238 0.000 1.092 205 M CA 1.044 56.379 55.300 0.058 0.000 1.087 205 M CB -0.870 31.828 32.600 0.165 0.000 1.453 205 M HN 0.225 nan 8.290 nan 0.000 0.509 206 T N 0.286 114.930 114.554 0.149 0.000 3.624 206 T HA 0.498 4.848 4.350 -0.000 0.000 0.244 206 T C -0.102 174.665 174.700 0.111 0.000 1.063 206 T CA -0.276 61.911 62.100 0.145 0.000 1.252 206 T CB 0.308 69.241 68.868 0.108 0.000 1.021 206 T HN 0.207 nan 8.240 nan 0.000 0.590 207 A N 1.320 124.225 122.820 0.143 0.000 2.292 207 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 207 A C 1.737 179.386 177.584 0.109 0.000 1.206 207 A CA -0.703 51.394 52.037 0.099 0.000 0.835 207 A CB 0.503 19.549 19.000 0.077 0.000 1.164 207 A HN 0.486 nan 8.150 nan 0.000 0.505 208 V N 0.617 120.567 119.914 0.061 0.000 2.277 208 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 208 V C 1.539 177.658 176.094 0.041 0.000 1.067 208 V CA 2.584 64.907 62.300 0.039 0.000 1.047 208 V CB -1.073 30.762 31.823 0.020 0.000 0.649 208 V HN 0.821 nan 8.190 nan 0.000 0.447 209 D N -0.495 119.939 120.400 0.057 0.000 2.104 209 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 209 D C 1.914 178.275 176.300 0.102 0.000 0.994 209 D CA 2.033 56.069 54.000 0.059 0.000 0.830 209 D CB -0.227 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 2.483 178.274 175.800 -0.015 0.000 1.133 210 F CA 1.340 59.331 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 0.531 120.302 119.800 -0.048 0.000 2.308 211 Q HA -0.218 4.122 4.340 -0.000 0.000 0.209 211 Q C 2.339 178.241 176.000 -0.165 0.000 0.985 211 Q CA 1.301 57.009 55.803 -0.158 0.000 0.881 211 Q CB -0.897 27.836 28.738 -0.008 0.000 0.917 211 Q HN 0.584 nan 8.270 nan 0.000 0.443 212 A N 1.595 124.350 122.820 -0.108 0.000 1.858 212 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 212 A C 1.832 179.329 177.584 -0.145 0.000 1.190 212 A CA 1.629 53.604 52.037 -0.103 0.000 0.617 212 A CB -0.699 18.260 19.000 -0.068 0.000 0.827 212 A HN 0.475 nan 8.150 nan 0.000 0.443 213 N N -0.129 118.486 118.700 -0.141 0.000 2.309 213 N HA -0.027 4.713 4.740 -0.000 0.000 0.182 213 N C 1.578 177.029 175.510 -0.098 0.000 1.018 213 N CA 0.929 53.936 53.050 -0.072 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 1.131 122.189 121.223 -0.276 0.000 2.191 214 L HA -0.155 4.185 4.340 -0.000 0.000 0.212 214 L C 2.137 178.892 176.870 -0.192 0.000 1.103 214 L CA 1.211 55.872 54.840 -0.298 0.000 0.769 214 L CB -0.176 41.629 42.059 -0.424 0.000 0.908 214 L HN 0.128 nan 8.230 nan 0.000 0.438 215 K N 0.030 120.333 120.400 -0.162 0.000 2.044 215 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 215 K C 2.143 178.662 176.600 -0.134 0.000 1.045 215 K CA 0.696 56.909 56.287 -0.123 0.000 0.951 215 K CB -0.029 32.407 32.500 -0.107 0.000 0.738 215 K HN 0.037 nan 8.250 nan 0.000 0.443 216 K N 0.263 120.530 120.400 -0.222 0.000 2.074 216 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 216 K C 0.707 177.056 176.600 -0.419 0.000 1.048 216 K CA 1.638 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 -0.176 120.127 120.300 0.006 0.000 2.658 217 Y HA 0.288 4.838 4.550 -0.000 0.000 0.276 217 Y C 0.675 176.580 175.900 0.008 0.000 1.167 217 Y CA -0.160 57.978 58.100 0.064 0.000 1.230 217 Y CB 0.697 39.187 38.460 0.050 0.000 1.144 217 Y HN 0.188 nan 8.280 nan 0.000 0.529 218 G N 2.297 111.125 108.800 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 -3.361 117.034 120.570 -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 57.377 61.300 -0.642 0.000 0.987 219 I CB 2.174 39.864 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 -0.067 176.868 177.300 -0.609 0.000 1.266 220 P CA -0.332 62.124 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 0.221 108.813 108.800 -0.346 0.000 3.209 221 G HA2 0.392 4.352 3.960 -0.000 0.000 0.274 221 G HA3 0.392 4.352 3.960 -0.000 0.000 0.274 221 G C -0.681 174.199 174.900 -0.034 0.000 0.850 221 G CA -0.146 44.898 45.100 -0.094 0.000 1.907 221 G HN 0.289 nan 8.290 nan 0.000 0.591 222 V N 2.280 122.123 119.914 -0.118 0.000 2.378 222 V HA 0.573 4.693 4.120 -0.000 0.000 0.288 222 V C 0.168 176.249 176.094 -0.021 0.000 1.016 222 V CA -0.780 61.464 62.300 -0.094 0.000 0.840 222 V CB 1.199 32.929 31.823 -0.155 0.000 0.994 222 V HN 0.511 nan 8.190 nan 0.000 0.431 223 V N 2.037 121.947 119.914 -0.006 0.000 3.001 223 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 223 V C 0.312 176.402 176.094 -0.007 0.000 1.099 223 V CA -0.981 61.323 62.300 0.007 0.000 0.989 223 V CB 1.853 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 0.193 19.283 19.000 0.149 0.000 1.003 224 A HN 1.544 nan 8.150 nan 0.000 0.497 225 L N 1.568 122.669 121.223 -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 -0.725 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 -0.698 0.000 0.919 225 L HN 0.619 nan 8.230 nan 0.000 0.442 226 Y N -0.341 119.624 120.300 -0.559 0.000 2.409 226 Y HA 0.527 5.077 4.550 -0.000 0.000 0.343 226 Y C -2.202 173.290 175.900 -0.680 0.000 0.973 226 Y CA -4.084 53.479 58.100 -0.896 0.000 1.064 226 Y CB 0.439 37.777 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 63.538 63.100 -0.115 0.000 0.766 227 P CB 0.591 32.234 31.700 -0.095 0.000 0.820 228 G N 2.081 110.953 108.800 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 0.266 0.000 0.937 228 G HN 0.304 nan 8.290 nan 0.000 0.693 229 E N 0.752 121.056 120.200 0.173 0.000 2.401 229 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 229 E C 2.475 179.134 176.600 0.099 0.000 1.023 229 E CA 0.510 56.978 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 -0.029 121.264 121.223 0.117 0.000 2.362 230 L HA -0.045 4.295 4.340 -0.000 0.000 0.219 230 L C 2.116 178.939 176.870 -0.079 0.000 1.134 230 L CA 0.867 55.647 54.840 -0.099 0.000 0.807 230 L CB -0.260 41.545 42.059 -0.423 0.000 0.927 230 L HN 0.299 nan 8.230 nan 0.000 0.447 231 G N -1.151 107.789 108.800 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 0.206 45.488 45.100 0.303 0.000 0.791 231 G HN 0.286 nan 8.290 nan 0.000 0.538 232 D N 0.666 121.125 120.400 0.098 0.000 2.309 232 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 232 D C 2.157 178.483 176.300 0.044 0.000 0.968 232 D CA 0.701 54.739 54.000 0.063 0.000 0.882 232 D CB 0.035 40.863 40.800 0.047 0.000 0.918 232 D HN 0.314 nan 8.370 nan 0.000 0.503 233 K N -0.185 120.232 120.400 0.029 0.000 2.459 233 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 233 K C 0.700 177.321 176.600 0.035 0.000 1.030 233 K CA 0.076 56.371 56.287 0.014 0.000 1.026 233 K CB 0.641 33.127 32.500 -0.022 0.000 0.809 233 K HN 0.150 nan 8.250 nan 0.000 0.504 234 I N 1.472 122.082 120.570 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 61.311 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 0.071 nan 8.210 nan 0.000 0.540 235 E N 6.614 126.849 120.200 0.058 0.000 2.409 235 E HA 0.313 4.663 4.350 -0.000 0.000 0.259 235 E C -1.406 175.236 176.600 0.070 0.000 0.932 235 E CA -0.750 55.686 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 0.365 nan 8.360 nan 0.000 0.405 236 I N 3.000 123.618 120.570 0.080 0.000 2.529 236 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 236 I C 0.537 176.729 176.117 0.126 0.000 1.082 236 I CA 0.225 61.584 61.300 0.099 0.000 1.406 236 I CB 0.928 38.977 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.608 126.899 120.200 0.152 0.000 2.145 237 E HA 0.574 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 30.767 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 -0.852 175.460 176.117 0.324 0.000 0.999 238 I CA -1.045 60.460 61.300 0.342 0.000 1.124 238 I CB 1.861 40.120 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 0.043 176.290 176.094 0.255 0.000 1.077 239 V CA -0.557 61.900 62.300 0.261 0.000 0.910 239 V CB 2.269 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 3.255 119.079 115.700 0.208 0.000 2.693 240 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 240 S C 0.980 175.497 174.600 -0.138 0.000 1.192 240 S CA -0.526 57.625 58.200 -0.081 0.000 0.994 240 S CB 1.301 64.477 63.200 -0.040 0.000 1.012 240 S HN 0.745 nan 8.310 nan 0.000 0.550 241 K N 0.074 120.291 120.400 -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 0.703 nan 8.250 nan 0.000 0.458 242 A N 1.663 124.458 122.820 -0.041 0.000 1.821 242 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 242 A C 1.262 178.870 177.584 0.040 0.000 1.214 242 A CA 1.832 53.873 52.037 0.005 0.000 0.608 242 A CB -0.632 18.376 19.000 0.013 0.000 0.862 242 A HN 0.379 nan 8.150 nan 0.000 0.448 243 D N -1.861 118.573 120.400 0.056 0.000 2.338 243 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 243 D C 0.992 177.342 176.300 0.083 0.000 1.095 243 D CA 0.266 54.299 54.000 0.055 0.000 0.888 243 D CB -0.147 40.683 40.800 0.050 0.000 0.899 243 D HN 0.586 nan 8.370 nan 0.000 0.525 244 Y N 1.049 121.329 120.300 -0.032 0.000 2.314 244 Y HA 0.097 4.647 4.550 -0.000 0.000 0.294 244 Y C 2.182 178.068 175.900 -0.024 0.000 1.119 244 Y CA 0.934 59.013 58.100 -0.036 0.000 1.179 244 Y CB -0.117 38.293 38.460 -0.084 0.000 1.025 244 Y HN -0.000 nan 8.280 nan 0.000 0.541 245 A N 0.599 123.383 122.820 -0.059 0.000 1.873 245 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 245 A C 2.021 179.526 177.584 -0.132 0.000 1.186 245 A CA 1.612 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 32.073 32.500 -0.026 0.000 0.839 246 K HN 0.501 nan 8.250 nan 0.000 0.505 247 G N 1.546 110.265 108.800 -0.135 0.000 2.626 247 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.224 247 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.224 247 G C 1.421 176.280 174.900 -0.068 0.000 1.095 247 G CA 1.374 46.397 45.100 -0.128 0.000 0.738 247 G HN 0.422 nan 8.290 nan 0.000 0.600 248 A N 0.088 122.864 122.820 -0.072 0.000 1.878 248 A HA 0.249 4.569 4.320 -0.000 0.000 0.213 248 A C 2.689 180.259 177.584 -0.024 0.000 1.192 248 A CA 1.901 53.914 52.037 -0.040 0.000 0.619 248 A CB -0.251 18.722 19.000 -0.044 0.000 0.837 248 A HN 0.312 nan 8.150 nan 0.000 0.446 249 S N 0.458 116.142 115.700 -0.027 0.000 2.388 249 S HA 0.291 4.761 4.470 -0.000 0.000 0.223 249 S C 1.318 175.911 174.600 -0.012 0.000 1.034 249 S CA 0.281 58.470 58.200 -0.018 0.000 0.963 249 S CB -0.603 62.585 63.200 -0.019 0.000 0.827 249 S HN 0.840 nan 8.310 nan 0.000 0.481 250 A N 2.129 124.942 122.820 -0.012 0.000 2.581 250 A HA 0.058 4.378 4.320 -0.000 0.000 0.257 250 A C 0.063 177.647 177.584 -0.001 0.000 1.022 250 A CA 0.502 52.537 52.037 -0.004 0.000 0.812 250 A CB -0.630 18.373 19.000 0.005 0.000 0.918 250 A HN 0.527 nan 8.150 nan 0.000 0.516 251 L N 4.830 126.049 121.223 -0.007 0.000 2.389 251 L HA 0.171 4.511 4.340 -0.000 0.000 0.265 251 L C -0.031 176.830 176.870 -0.015 0.000 1.167 251 L CA -0.396 54.438 54.840 -0.010 0.000 1.045 251 L CB -0.185 41.865 42.059 -0.015 0.000 1.351 251 L HN 0.619 nan 8.230 nan 0.000 0.419 252 L N 4.108 125.330 121.223 -0.002 0.000 2.578 252 L HA 0.028 4.368 4.340 -0.000 0.000 0.279 252 L C -2.000 174.855 176.870 -0.024 0.000 1.227 252 L CA -1.277 53.561 54.840 -0.004 0.000 0.900 252 L CB -0.193 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 -0.724 176.492 177.300 -0.141 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 1.842 122.294 120.570 -0.198 0.000 2.355 254 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 254 I C -0.417 175.607 176.117 -0.155 0.000 0.999 254 I CA -0.718 60.537 61.300 -0.075 0.000 1.163 254 I CB 0.590 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 7.362 127.690 120.300 0.046 0.000 2.323 255 Y HA 0.338 4.888 4.550 -0.000 0.000 0.331 255 Y C -1.724 174.186 175.900 0.017 0.000 1.092 255 Y CA -1.916 56.210 58.100 0.042 0.000 1.150 255 Y CB 0.822 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 1.443 178.746 177.300 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 0.656 109.457 108.800 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 1.150 46.240 45.100 -0.016 0.000 0.791 257 G HN 0.628 nan 8.290 nan 0.000 0.606 258 G N -3.259 105.496 108.800 -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 0.391 175.235 174.900 -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 -1.984 106.766 108.800 -0.084 0.000 2.915 259 G HA2 0.452 4.411 3.960 -0.000 0.000 0.337 259 G HA3 0.452 4.411 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 1.011 46.072 45.100 -0.065 0.000 0.916 259 G HN 2.805 nan 8.290 nan 0.000 0.550 260 T N -2.602 111.921 114.554 -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 61.957 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 1.448 nan 8.240 nan 0.000 0.554 261 R N -0.203 120.290 120.500 -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 -0.529 55.573 56.100 0.002 0.000 1.029 261 R CB 1.404 31.711 30.300 0.011 0.000 1.262 261 R HN 1.165 nan 8.270 nan 0.000 0.437 262 A N 2.932 125.757 122.820 0.008 0.000 2.584 262 A HA 0.092 4.412 4.320 -0.000 0.000 0.239 262 A C 0.601 178.199 177.584 0.024 0.000 1.043 262 A CA 0.883 52.926 52.037 0.010 0.000 0.756 262 A CB 0.389 19.393 19.000 0.006 0.000 0.963 262 A HN 0.758 nan 8.150 nan 0.000 0.511 263 S N 0.673 116.390 115.700 0.028 0.000 2.598 263 S HA 0.302 4.772 4.470 -0.000 0.000 0.256 263 S C 1.341 175.973 174.600 0.054 0.000 1.350 263 S CA 0.720 58.951 58.200 0.051 0.000 0.984 263 S CB 0.356 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 -1.629 112.977 114.554 0.087 0.000 3.131 264 T HA 0.401 4.751 4.350 -0.000 0.000 0.283 264 T C 1.556 176.344 174.700 0.147 0.000 0.906 264 T CA 0.716 62.868 62.100 0.088 0.000 0.882 264 T CB -0.665 68.251 68.868 0.080 0.000 1.208 264 T HN 0.749 nan 8.240 nan 0.000 0.561 265 A N 3.034 125.983 122.820 0.215 0.000 1.863 265 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 265 A C 2.156 179.996 177.584 0.427 0.000 1.233 265 A CA 2.635 54.917 52.037 0.409 0.000 0.655 265 A CB -1.075 18.172 19.000 0.413 0.000 0.839 265 A HN 0.526 nan 8.150 nan 0.000 0.454 266 K N 0.161 120.605 120.400 0.074 0.000 2.442 266 K HA 0.074 4.394 4.320 -0.000 0.000 0.198 266 K C 1.191 177.821 176.600 0.050 0.000 1.044 266 K CA 1.347 57.574 56.287 -0.099 0.000 0.948 266 K CB -0.452 31.767 32.500 -0.468 0.000 0.762 266 K HN 0.407 nan 8.250 nan 0.000 0.472 267 A N -0.331 122.531 122.820 0.069 0.000 2.462 267 A HA 0.302 4.622 4.320 -0.000 0.000 0.261 267 A C 0.793 178.405 177.584 0.047 0.000 1.323 267 A CA -0.011 52.053 52.037 0.046 0.000 0.913 267 A CB 0.259 19.273 19.000 0.023 0.000 1.028 267 A HN 0.102 nan 8.150 nan 0.000 0.511 268 V N -2.282 117.679 119.914 0.079 0.000 3.157 268 V HA 0.256 4.376 4.120 -0.000 0.000 0.253 268 V C -0.394 175.591 176.094 -0.182 0.000 1.637 268 V CA 0.117 62.372 62.300 -0.075 0.000 1.058 268 V CB -0.027 31.706 31.823 -0.150 0.000 0.917 268 V HN 0.376 nan 8.190 nan 0.000 0.417 269 F N 0.570 120.602 119.950 0.137 0.000 2.443 269 F HA 0.703 5.230 4.527 -0.000 0.000 0.335 269 F C 1.305 177.210 175.800 0.176 0.000 1.104 269 F CA 0.287 58.386 58.000 0.164 0.000 1.013 269 F CB 1.756 40.883 39.000 0.210 0.000 1.136 269 F HN -0.006 nan 8.300 nan 0.000 0.470 270 G N 1.376 110.375 108.800 0.332 0.000 2.610 270 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 270 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 270 G C -0.265 174.832 174.900 0.328 0.000 1.243 270 G CA 0.113 45.377 45.100 0.273 0.000 0.847 270 G HN 0.507 nan 8.290 nan 0.000 0.560 271 Y N 3.461 123.872 120.300 0.185 0.000 2.783 271 Y HA 0.400 4.950 4.550 -0.000 0.000 0.359 271 Y C 1.059 176.980 175.900 0.036 0.000 1.220 271 Y CA -0.622 57.546 58.100 0.114 0.000 1.649 271 Y CB -0.315 38.208 38.460 0.105 0.000 1.273 271 Y HN 0.187 nan 8.280 nan 0.000 0.506 272 G N 6.455 115.103 108.800 -0.253 0.000 2.616 272 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 272 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 272 G C -2.789 171.587 174.900 -0.873 0.000 1.213 272 G CA -1.715 42.974 45.100 -0.685 0.000 0.926 272 G HN 0.484 nan 8.290 nan 0.000 0.523 273 P HA 0.084 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 1.105 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 -1.180 27.408 28.738 -0.251 0.000 0.901 274 Q HN 0.549 nan 8.270 nan 0.000 0.446 275 T N -0.601 113.843 114.554 -0.183 0.000 2.766 275 T HA 0.059 4.409 4.350 -0.000 0.000 0.295 275 T C 0.290 174.874 174.700 -0.193 0.000 1.024 275 T CA -0.096 61.915 62.100 -0.149 0.000 1.018 275 T CB 0.448 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 0.214 120.522 120.400 -0.155 0.000 2.312 276 D HA 0.018 4.658 4.640 -0.000 0.000 0.211 276 D C 1.544 177.702 176.300 -0.238 0.000 0.964 276 D CA 0.981 54.874 54.000 -0.178 0.000 0.877 276 D CB -0.081 40.660 40.800 -0.098 0.000 0.924 276 D HN 0.639 nan 8.370 nan 0.000 0.515 277 S N -0.683 114.910 115.700 -0.179 0.000 2.573 277 S HA 0.185 4.655 4.470 -0.000 0.000 0.244 277 S C 0.356 174.865 174.600 -0.151 0.000 0.984 277 S CA -0.624 57.511 58.200 -0.107 0.000 1.001 277 S CB 0.086 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 -1.618 174.069 176.000 -0.522 0.000 1.008 278 Q CA -0.660 54.965 55.803 -0.296 0.000 0.853 278 Q CB 1.744 30.319 28.738 -0.271 0.000 1.314 278 Q HN 0.539 nan 8.270 nan 0.000 0.448 279 Y N -0.556 119.607 120.300 -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 1.921 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 3.093 125.870 122.820 -0.073 0.000 2.309 280 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 280 A C -1.034 176.597 177.584 0.079 0.000 1.206 280 A CA -0.262 51.610 52.037 -0.274 0.000 0.850 280 A CB -0.335 18.377 19.000 -0.480 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.874 123.535 120.570 0.152 0.000 2.406 281 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 281 I C -0.385 175.933 176.117 0.335 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 6.799 127.537 120.570 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 1.532 39.663 38.000 0.218 0.000 1.236 282 I HN 0.138 nan 8.210 nan 0.000 0.452 283 V N 7.102 127.066 119.914 0.082 0.000 2.465 283 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 283 V C 0.231 176.303 176.094 -0.037 0.000 1.045 283 V CA -0.337 61.982 62.300 0.031 0.000 0.938 283 V CB 1.444 33.273 31.823 0.010 0.000 0.986 283 V HN 0.646 nan 8.190 nan 0.000 0.467 284 R N 3.732 124.223 120.500 -0.015 0.000 2.621 284 R HA 0.636 4.976 4.340 -0.000 0.000 0.292 284 R C -0.654 175.635 176.300 -0.018 0.000 0.969 284 R CA -0.837 55.246 56.100 -0.028 0.000 0.887 284 R CB 2.543 32.845 30.300 0.004 0.000 1.180 284 R HN 0.630 nan 8.270 nan 0.000 0.450 285 R N 2.589 123.071 120.500 -0.031 0.000 2.473 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.303 285 R C -0.846 175.451 176.300 -0.005 0.000 1.002 285 R CA -0.371 55.729 56.100 -0.001 0.000 0.884 285 R CB 0.599 30.916 30.300 0.029 0.000 1.173 285 R HN 0.681 nan 8.270 nan 0.000 0.464 286 N N 3.854 122.552 118.700 -0.002 0.000 2.783 286 N HA -0.168 4.572 4.740 -0.000 0.000 0.247 286 N C -0.928 174.579 175.510 -0.004 0.000 1.089 286 N CA 1.568 54.616 53.050 -0.004 0.000 0.690 286 N CB -0.852 37.631 38.487 -0.007 0.000 0.991 286 N HN 0.957 nan 8.380 nan 0.000 0.552 287 D N -4.114 116.285 120.400 -0.002 0.000 2.837 287 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 287 D C 0.340 176.636 176.300 -0.007 0.000 1.033 287 D CA 1.727 55.726 54.000 -0.001 0.000 1.021 287 D CB -1.435 39.365 40.800 -0.000 0.000 1.101 287 D HN 0.753 nan 8.370 nan 0.000 0.431 288 A N 0.442 123.253 122.820 -0.014 0.000 2.366 288 A HA 0.525 4.845 4.320 -0.000 0.000 0.272 288 A C 0.544 178.103 177.584 -0.042 0.000 1.135 288 A CA -0.337 51.686 52.037 -0.024 0.000 0.804 288 A CB 0.216 19.204 19.000 -0.020 0.000 1.064 288 A HN 0.112 nan 8.150 nan 0.000 0.499 289 I N 3.965 124.509 120.570 -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 3.223 123.040 119.914 -0.161 0.000 2.469 290 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 290 V C 0.993 176.920 176.094 -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 31.072 31.823 -0.639 0.000 0.667 290 V HN 0.878 nan 8.190 nan 0.000 0.461 291 Q N -0.767 118.923 119.800 -0.184 0.000 2.435 291 Q HA 0.489 4.829 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 -0.305 55.463 55.803 -0.059 0.000 0.820 291 Q CB 2.372 31.105 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 0.198 0.000 1.172 292 S CA -0.577 57.664 58.200 0.068 0.000 1.019 292 S CB 1.524 64.585 63.200 -0.231 0.000 1.049 292 S HN 0.575 nan 8.310 nan 0.000 0.483 293 V N 2.733 122.855 119.914 0.347 0.000 3.159 293 V HA 0.813 4.933 4.120 -0.000 0.000 0.308 293 V C -1.504 174.653 176.094 0.105 0.000 1.190 293 V CA -0.627 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 5.139 125.007 119.914 -0.076 0.000 2.444 294 V HA 0.594 4.714 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 -0.328 61.848 62.300 -0.207 0.000 0.850 294 V CB 1.454 33.129 31.823 -0.246 0.000 0.992 294 V HN 0.683 nan 8.190 nan 0.000 0.426 295 L N 2.948 124.028 121.223 -0.238 0.000 2.283 295 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 295 L C -0.185 176.575 176.870 -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 -0.366 0.000 1.380 295 L HN 0.620 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 -0.084 58.071 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 0.456 114.983 114.554 -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 62.161 62.100 0.011 0.000 1.012 297 T CB -0.284 68.497 68.868 -0.145 0.000 0.977 297 T HN 0.469 nan 8.240 nan 0.000 0.527 298 K N 1.709 122.141 120.400 0.053 0.000 2.339 298 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 298 K C -0.110 176.341 176.600 -0.247 0.000 0.986 298 K CA -0.855 55.373 56.287 -0.098 0.000 0.866 298 K CB 0.942 33.401 32.500 -0.069 0.000 1.103 298 K HN 0.173 nan 8.250 nan 0.000 0.441 299 R N 1.824 121.964 120.500 -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 1.423 57.114 56.100 -0.682 0.000 1.114 299 R CB 0.173 30.088 30.300 -0.641 0.000 0.985 299 R HN 1.060 nan 8.270 nan 0.000 0.439 300 G N 1.059 109.777 108.800 -0.137 0.000 2.900 300 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G C 0.594 175.482 174.900 -0.019 0.000 1.293 300 G CA -0.129 44.936 45.100 -0.057 0.000 0.792 300 G HN 0.971 nan 8.290 nan 0.000 0.527 301 G N 1.200 109.983 108.800 -0.028 0.000 2.257 301 G HA2 0.367 4.327 3.960 -0.000 0.000 0.235 301 G HA3 0.367 4.327 3.960 -0.000 0.000 0.235 301 G C 0.053 174.962 174.900 0.016 0.000 1.225 301 G CA 1.223 46.318 45.100 -0.009 0.000 0.878 301 G HN 0.811 nan 8.290 nan 0.000 0.505 302 K N 0.994 121.408 120.400 0.024 0.000 2.444 302 K HA 0.357 4.677 4.320 -0.000 0.000 0.252 302 K C -0.358 176.286 176.600 0.075 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 0.459 120.920 120.400 0.101 0.000 2.376 303 D HA 0.019 4.659 4.640 -0.000 0.000 0.268 303 D C 1.045 177.436 176.300 0.153 0.000 1.252 303 D CA -0.330 53.775 54.000 0.174 0.000 1.041 303 D CB 0.131 41.010 40.800 0.131 0.000 1.109 303 D HN 0.566 nan 8.370 nan 0.000 0.552 304 I N -3.295 117.332 120.570 0.095 0.000 3.616 304 I HA 0.070 4.240 4.170 -0.000 0.000 0.306 304 I C -0.046 175.917 176.117 -0.256 0.000 1.232 304 I CA 0.110 61.359 61.300 -0.085 0.000 1.182 304 I CB -1.049 36.779 38.000 -0.288 0.000 1.007 304 I HN 0.189 nan 8.210 nan 0.000 0.479 305 Y N -0.049 120.205 120.300 -0.076 0.000 2.767 305 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 305 Y C 0.083 175.967 175.900 -0.026 0.000 1.133 305 Y CA -0.766 57.302 58.100 -0.053 0.000 1.225 305 Y CB 0.344 38.767 38.460 -0.061 0.000 1.312 305 Y HN 0.181 nan 8.280 nan 0.000 0.560 306 D N 0.371 120.834 120.400 0.105 0.000 2.911 306 D HA -0.174 4.466 4.640 -0.000 0.000 0.227 306 D C -0.456 175.890 176.300 0.077 0.000 1.164 306 D CA 1.148 55.189 54.000 0.069 0.000 0.782 306 D CB -1.131 39.694 40.800 0.042 0.000 1.094 306 D HN 0.094 nan 8.370 nan 0.000 0.425 307 S N 0.402 116.158 115.700 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 0.474 176.029 175.510 0.075 0.000 1.351 308 N CA 0.044 53.137 53.050 0.073 0.000 0.936 308 N CB -0.199 38.339 38.487 0.085 0.000 1.274 308 N HN 0.713 nan 8.380 nan 0.000 0.489 309 I N 0.590 121.181 120.570 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 -0.474 37.450 38.000 -0.127 0.000 1.150 309 I HN 0.257 nan 8.210 nan 0.000 0.412 310 Y N 2.439 122.699 120.300 -0.066 0.000 2.496 310 Y HA 0.268 4.818 4.550 -0.000 0.000 0.334 310 Y C 1.175 177.048 175.900 -0.043 0.000 1.080 310 Y CA -0.805 57.256 58.100 -0.065 0.000 1.355 310 Y CB 0.525 38.966 38.460 -0.031 0.000 1.193 310 Y HN 0.209 nan 8.280 nan 0.000 0.523 311 I N 3.814 124.096 120.570 -0.481 0.000 2.094 311 I HA -0.506 3.664 4.170 -0.000 0.000 0.236 311 I C 2.050 177.952 176.117 -0.359 0.000 1.016 311 I CA 2.136 63.214 61.300 -0.371 0.000 1.294 311 I CB -0.268 37.557 38.000 -0.292 0.000 1.006 311 I HN 0.674 nan 8.210 nan 0.000 0.397 312 D N 0.506 120.462 120.400 -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 1.774 55.544 54.000 -0.384 0.000 0.856 312 D CB -0.265 40.335 40.800 -0.333 0.000 0.934 312 D HN 0.454 nan 8.370 nan 0.000 0.453 313 D N -0.309 119.982 120.400 -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 0.100 54.095 54.000 -0.007 0.000 0.853 313 D CB -0.680 40.189 40.800 0.115 0.000 1.007 313 D HN 0.142 nan 8.370 nan 0.000 0.469 314 F N 1.279 121.081 119.950 -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 1.636 59.417 58.000 -0.365 0.000 1.215 314 F CB -0.554 38.101 39.000 -0.574 0.000 0.972 314 F HN -0.129 nan 8.300 nan 0.000 0.483 315 F N 0.266 120.015 119.950 -0.335 0.000 2.367 315 F HA 0.108 4.635 4.527 -0.000 0.000 0.298 315 F C 2.525 178.121 175.800 -0.340 0.000 1.094 315 F CA 0.832 58.506 58.000 -0.542 0.000 1.409 315 F CB -1.456 36.995 39.000 -0.916 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.040 122.743 122.820 -0.062 0.000 2.131 316 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 316 A C 1.010 178.621 177.584 0.046 0.000 1.158 316 A CA 1.128 53.210 52.037 0.074 0.000 0.665 316 A CB -0.673 18.364 19.000 0.061 0.000 0.795 316 A HN 0.340 nan 8.150 nan 0.000 0.460 317 K N -0.823 119.543 120.400 -0.057 0.000 2.679 317 K HA 0.405 4.725 4.320 -0.000 0.000 0.188 317 K C 0.482 177.002 176.600 -0.134 0.000 1.055 317 K CA -0.000 56.247 56.287 -0.067 0.000 1.006 317 K CB 0.595 33.056 32.500 -0.066 0.000 1.317 317 K HN 0.320 nan 8.250 nan 0.000 0.584 318 G N 1.444 110.202 108.800 -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 0.904 175.678 174.900 -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 -1.155 107.374 108.800 -0.452 0.000 2.432 319 G HA2 0.248 4.207 3.960 -0.000 0.000 0.219 319 G HA3 0.248 4.207 3.960 -0.000 0.000 0.219 319 G C 0.728 175.272 174.900 -0.594 0.000 1.135 319 G CA 1.414 45.889 45.100 -1.042 0.000 0.767 319 G HN 1.277 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 0.286 174.983 174.600 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 2.127 122.442 120.200 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 1.029 57.422 56.400 -0.012 0.000 0.852 321 E CB 0.175 29.796 29.700 -0.131 0.000 0.783 321 E HN 0.767 nan 8.360 nan 0.000 0.505 322 Y N -0.381 119.974 120.300 0.091 0.000 2.506 322 Y HA 0.203 4.753 4.550 -0.000 0.000 0.287 322 Y C 1.427 177.351 175.900 0.040 0.000 1.147 322 Y CA -0.339 57.829 58.100 0.114 0.000 1.241 322 Y CB 0.542 39.090 38.460 0.147 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.664 117.045 120.570 0.232 0.000 3.264 323 I HA 0.649 4.819 4.170 -0.000 0.000 0.309 323 I C -1.635 174.446 176.117 -0.060 0.000 1.099 323 I CA -1.081 60.265 61.300 0.077 0.000 0.989 323 I CB 2.870 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 1.119 120.778 119.950 -0.484 0.000 2.622 324 F HA 0.777 5.304 4.527 -0.000 0.000 0.318 324 F C -0.896 174.447 175.800 -0.761 0.000 1.135 324 F CA -0.153 57.383 58.000 -0.774 0.000 1.015 324 F CB 1.804 40.571 39.000 -0.388 0.000 1.275 324 F HN 0.918 nan 8.300 nan 0.000 0.457 325 A N 2.600 124.676 122.820 -1.240 0.000 2.524 325 A HA 0.888 5.208 4.320 -0.000 0.000 0.286 325 A C -1.230 176.255 177.584 -0.166 0.000 1.203 325 A CA -0.664 51.111 52.037 -0.435 0.000 0.736 325 A CB 1.969 20.843 19.000 -0.210 0.000 1.322 325 A HN 0.722 nan 8.150 nan 0.000 0.424 326 T N -1.105 113.492 114.554 0.071 0.000 3.032 326 T HA 0.518 4.868 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 1.282 70.231 68.868 0.134 0.000 1.091 326 T HN 1.725 nan 8.240 nan 0.000 0.457 327 A N 3.345 126.209 122.820 0.073 0.000 2.125 327 A HA 0.065 4.385 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 0.903 53.005 52.037 0.108 0.000 0.671 327 A CB -0.568 18.497 19.000 0.108 0.000 0.794 327 A HN 0.799 nan 8.150 nan 0.000 0.459 328 Q N 0.222 120.118 119.800 0.162 0.000 2.274 328 Q HA 0.077 4.417 4.340 -0.000 0.000 0.280 328 Q C 0.026 176.085 176.000 0.098 0.000 1.047 328 Q CA 0.461 56.340 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 1.969 120.716 118.700 0.078 0.000 2.713 329 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 329 N C -1.386 174.133 175.510 0.015 0.000 1.117 329 N CA 0.850 53.914 53.050 0.024 0.000 0.770 329 N CB -1.022 37.437 38.487 -0.046 0.000 1.137 329 N HN 0.676 nan 8.380 nan 0.000 0.566 330 W N 2.882 124.107 121.300 -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 -1.156 56.066 57.345 -0.205 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 0.722 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 1.886 122.256 120.200 0.284 0.000 2.414 332 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 332 E C 1.271 178.095 176.600 0.372 0.000 1.000 332 E CA 0.599 57.199 56.400 0.333 0.000 0.914 332 E CB -0.059 29.766 29.700 0.208 0.000 0.948 332 E HN 0.758 nan 8.360 nan 0.000 0.444 333 G N 3.633 112.733 108.800 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 0.438 0.000 1.002 333 G CA 0.368 45.711 45.100 0.405 0.000 0.729 333 G HN 0.576 nan 8.290 nan 0.000 0.517 334 F N 1.724 121.898 119.950 0.373 0.000 2.572 334 F HA 0.477 5.004 4.527 -0.000 0.000 0.370 334 F C 0.459 176.408 175.800 0.249 0.000 1.103 334 F CA 0.779 58.885 58.000 0.175 0.000 1.286 334 F CB 0.751 39.702 39.000 -0.080 0.000 1.105 334 F HN 0.071 nan 8.300 nan 0.000 0.583 335 S N 3.287 118.680 115.700 -0.510 0.000 2.548 335 S HA 0.838 5.307 4.470 -0.000 0.000 0.276 335 S C -0.292 173.965 174.600 -0.571 0.000 1.129 335 S CA -0.226 57.817 58.200 -0.262 0.000 0.931 335 S CB 1.550 64.743 63.200 -0.011 0.000 1.068 335 S HN 1.233 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 0.419 4.379 3.960 -0.000 0.000 0.296 336 G HA3 0.419 4.379 3.960 -0.000 0.000 0.296 336 G C -2.349 172.687 174.900 0.226 0.000 1.287 336 G CA -0.696 44.417 45.100 0.021 0.000 0.846 336 G HN 0.494 nan 8.290 nan 0.000 0.508 337 I N 1.335 122.068 120.570 0.271 0.000 2.355 337 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 337 I C 0.108 176.390 176.117 0.275 0.000 0.999 337 I CA -0.734 60.699 61.300 0.222 0.000 1.163 337 I CB 0.837 38.919 38.000 0.136 0.000 1.316 337 I HN 0.322 nan 8.210 nan 0.000 0.454 338 L N 5.758 127.099 121.223 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 0.080 174.809 174.700 0.048 0.000 1.075 339 T CA -0.463 61.676 62.100 0.066 0.000 0.966 339 T CB 0.315 69.220 68.868 0.062 0.000 1.001 339 T HN 0.278 nan 8.240 nan 0.000 0.476 340 L N 3.816 125.067 121.223 0.048 0.000 2.416 340 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 340 L C 0.775 177.673 176.870 0.046 0.000 1.161 340 L CA -0.145 54.724 54.840 0.048 0.000 0.845 340 L CB 0.461 42.557 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 0.037 0.000 1.178 341 S CA -0.209 58.014 58.200 0.039 0.000 0.838 341 S CB 1.396 64.614 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 1.783 nan 8.290 nan 0.000 0.538 343 G N -0.526 108.305 108.800 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 -0.131 174.807 174.900 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 2.878 124.136 121.223 0.058 0.000 2.673 344 L HA 0.276 4.616 4.340 -0.000 0.000 0.255 344 L C 0.230 177.124 176.870 0.040 0.000 1.015 344 L CA -0.488 54.380 54.840 0.047 0.000 0.930 344 L CB 1.065 43.141 42.059 0.027 0.000 1.185 344 L HN 0.707 nan 8.230 nan 0.000 0.457 345 S N 2.521 118.258 115.700 0.061 0.000 2.474 345 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 345 S C 0.205 174.819 174.600 0.022 0.000 1.227 345 S CA -0.148 58.075 58.200 0.039 0.000 1.050 345 S CB 0.979 64.222 63.200 0.071 0.000 0.939 345 S HN 0.708 nan 8.310 nan 0.000 0.490 346 S N 3.771 119.472 115.700 0.002 0.000 2.498 346 S HA 0.386 4.856 4.470 -0.000 0.000 0.324 346 S C 0.497 175.083 174.600 -0.024 0.000 1.071 346 S CA -1.005 57.193 58.200 -0.004 0.000 1.113 346 S CB 0.658 63.858 63.200 -0.001 0.000 0.976 346 S HN 0.783 nan 8.310 nan 0.000 0.462 347 N N 3.133 121.815 118.700 -0.031 0.000 2.415 347 N HA 0.007 4.747 4.740 -0.000 0.000 0.176 347 N C 2.025 177.516 175.510 -0.031 0.000 1.042 347 N CA 0.825 53.840 53.050 -0.058 0.000 0.902 347 N CB -0.670 37.774 38.487 -0.072 0.000 0.986 347 N HN 0.746 nan 8.380 nan 0.000 0.447 348 A N 2.004 124.816 122.820 -0.013 0.000 1.865 348 A HA -0.274 4.046 4.320 -0.000 0.000 0.244 348 A C 0.647 178.229 177.584 -0.003 0.000 1.984 348 A CA 2.292 54.327 52.037 -0.003 0.000 0.785 348 A CB -0.749 18.252 19.000 0.002 0.000 0.849 348 A HN 0.577 nan 8.150 nan 0.000 0.501 349 E N -1.285 118.912 120.200 -0.004 0.000 3.037 349 E HA 0.550 4.900 4.350 -0.000 0.000 0.220 349 E C -1.149 175.449 176.600 -0.003 0.000 1.142 349 E CA -0.451 55.949 56.400 0.000 0.000 0.888 349 E CB 0.934 30.637 29.700 0.006 0.000 1.329 349 E HN 0.056 nan 8.360 nan 0.000 0.409 350 V N 2.267 122.171 119.914 -0.017 0.000 2.353 350 V HA 0.188 4.308 4.120 -0.000 0.000 0.264 350 V C 0.597 176.693 176.094 0.004 0.000 1.049 350 V CA -0.304 61.984 62.300 -0.021 0.000 0.896 350 V CB 1.124 32.900 31.823 -0.078 0.000 1.025 350 V HN 0.714 nan 8.190 nan 0.000 0.475 351 T N 4.775 119.344 114.554 0.025 0.000 2.903 351 T HA 0.272 4.622 4.350 -0.000 0.000 0.314 351 T C 1.519 176.255 174.700 0.059 0.000 1.078 351 T CA 0.319 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 4.280 127.144 122.820 0.073 0.000 1.884 352 A HA -0.055 4.265 4.320 -0.000 0.000 0.219 352 A C 2.521 180.181 177.584 0.127 0.000 1.197 352 A CA 2.579 54.680 52.037 0.106 0.000 0.637 352 A CB -1.682 17.383 19.000 0.108 0.000 0.827 352 A HN 1.107 nan 8.150 nan 0.000 0.450 353 G N -0.226 108.635 108.800 0.102 0.000 2.469 353 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.219 353 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.219 353 G C 0.993 175.978 174.900 0.141 0.000 1.150 353 G CA 1.397 46.561 45.100 0.107 0.000 0.763 353 G HN 0.567 nan 8.290 nan 0.000 0.561 354 D N 0.160 120.633 120.400 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 0.411 54.505 54.000 0.156 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 0.723 55.628 54.840 0.108 0.000 0.759 355 L CB -0.181 41.980 42.059 0.170 0.000 0.914 355 L HN 0.059 nan 8.230 nan 0.000 0.439 356 M N -0.843 118.989 119.600 0.386 0.000 2.175 356 M HA -0.207 4.273 4.480 -0.000 0.000 0.264 356 M C 2.030 178.623 176.300 0.487 0.000 1.063 356 M CA 1.569 57.197 55.300 0.546 0.000 1.119 356 M CB -0.354 32.486 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 -0.214 4.136 4.350 -0.000 0.000 0.195 357 E C 2.084 178.997 176.600 0.521 0.000 0.992 357 E CA 1.384 58.003 56.400 0.364 0.000 0.804 357 E CB -0.099 29.767 29.700 0.276 0.000 0.741 357 E HN 0.542 nan 8.360 nan 0.000 0.458 358 A N 0.624 123.701 122.820 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 1.141 53.267 52.037 0.149 0.000 0.610 358 A CB -1.286 17.528 19.000 -0.309 0.000 0.842 358 A HN 0.397 nan 8.150 nan 0.000 0.444 359 W N 0.506 121.981 121.300 0.291 0.000 2.308 359 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 359 W C 1.604 178.402 176.519 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 29.371 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 0.330 0.000 0.983 360 D CA 1.167 55.436 54.000 0.449 0.000 0.878 360 D CB -0.817 40.195 40.800 0.354 0.000 0.920 360 D HN 0.182 nan 8.370 nan 0.000 0.479 361 F N -0.959 118.999 119.950 0.014 0.000 2.583 361 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 361 F C 1.175 176.773 175.800 -0.337 0.000 1.131 361 F CA 0.379 58.232 58.000 -0.244 0.000 1.467 361 F CB -0.080 38.644 39.000 -0.460 0.000 1.097 361 F HN -0.034 nan 8.300 nan 0.000 0.586 362 F N -1.417 118.737 119.950 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 -0.396 38.812 39.000 0.347 0.000 1.052 362 F HN -0.191 nan 8.300 nan 0.000 0.573 363 A N 0.734 123.754 122.820 0.332 0.000 2.416 363 A HA 0.272 4.592 4.320 -0.000 0.000 0.252 363 A C -0.655 177.001 177.584 0.119 0.000 1.353 363 A CA 0.078 52.241 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 -2.431 118.045 120.400 0.127 0.000 2.591 364 D HA 0.257 4.897 4.640 -0.000 0.000 0.222 364 D C 0.239 176.590 176.300 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 41.095 40.800 0.037 0.000 1.456 364 D HN 0.025 nan 8.370 nan 0.000 0.588 365 R N 0.976 121.520 120.500 0.073 0.000 2.200 365 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 365 R C 1.229 177.565 176.300 0.060 0.000 1.127 365 R CA 1.265 57.410 56.100 0.075 0.000 0.989 365 R CB -0.103 30.230 30.300 0.056 0.000 0.869 365 R HN 0.555 nan 8.270 nan 0.000 0.459 366 E N -0.040 120.186 120.200 0.044 0.000 2.118 366 E HA -0.176 4.174 4.350 -0.000 0.000 0.195 366 E C 1.613 178.235 176.600 0.038 0.000 0.992 366 E CA 1.774 58.193 56.400 0.032 0.000 0.804 366 E CB 0.093 29.804 29.700 0.019 0.000 0.741 366 E HN 0.341 nan 8.360 nan 0.000 0.458 367 S N -0.113 115.615 115.700 0.046 0.000 2.444 367 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 367 S C 0.706 175.348 174.600 0.071 0.000 1.054 367 S CA 0.232 58.459 58.200 0.045 0.000 0.947 367 S CB 0.455 63.671 63.200 0.027 0.000 0.850 367 S HN 0.123 nan 8.310 nan 0.000 0.527 368 V N 2.315 122.294 119.914 0.110 0.000 2.444 368 V HA 0.497 4.617 4.120 -0.000 0.000 0.294 368 V C -1.475 174.716 176.094 0.162 0.000 1.022 368 V CA -1.298 61.092 62.300 0.148 0.000 0.850 368 V CB 1.523 33.478 31.823 0.219 0.000 0.992 368 V HN 0.328 nan 8.190 nan 0.000 0.426 369 D N 4.772 125.248 120.400 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 -0.111 53.958 54.000 0.115 0.000 0.947 369 D CB 1.396 42.248 40.800 0.087 0.000 1.048 369 D HN 0.717 nan 8.370 nan 0.000 0.512 370 V N -0.374 119.622 119.914 0.137 0.000 2.444 370 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 370 V C 0.551 176.716 176.094 0.118 0.000 1.022 370 V CA -0.789 61.558 62.300 0.079 0.000 0.850 370 V CB 1.684 33.489 31.823 -0.029 0.000 0.992 370 V HN 0.051 nan 8.190 nan 0.000 0.426 371 Q N 3.925 123.780 119.800 0.092 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 -0.943 120.350 121.223 0.117 0.000 2.319 372 L HA 0.489 4.829 4.340 -0.000 0.000 0.267 372 L C -0.957 175.965 176.870 0.088 0.000 1.011 372 L CA -0.742 54.185 54.840 0.144 0.000 0.818 372 L CB 1.512 43.637 42.059 0.111 0.000 1.316 372 L HN -0.045 nan 8.230 nan 0.000 0.432 373 F N 1.741 121.641 119.950 -0.083 0.000 2.610 373 F HA 0.447 4.974 4.527 -0.000 0.000 0.355 373 F C -0.065 175.660 175.800 -0.125 0.000 1.140 373 F CA -0.389 57.518 58.000 -0.155 0.000 1.037 373 F CB 1.286 40.155 39.000 -0.218 0.000 1.287 373 F HN 0.186 nan 8.300 nan 0.000 0.457 374 I N 3.947 124.507 120.570 -0.017 0.000 2.436 374 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 374 I C 0.774 176.956 176.117 0.109 0.000 1.083 374 I CA 0.454 61.781 61.300 0.045 0.000 1.372 374 I CB 1.081 39.082 38.000 0.003 0.000 1.408 374 I HN 0.784 nan 8.210 nan 0.000 0.516 375 A N 4.877 127.722 122.820 0.042 0.000 2.009 375 A HA 0.241 4.561 4.320 -0.000 0.000 0.197 375 A C 2.071 179.689 177.584 0.057 0.000 1.471 375 A CA 0.559 52.590 52.037 -0.011 0.000 0.973 375 A CB -0.397 18.522 19.000 -0.134 0.000 1.020 375 A HN 0.712 nan 8.150 nan 0.000 0.476 376 G N 1.223 110.046 108.800 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 1.551 176.501 174.900 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 -0.603 115.129 115.700 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 1.120 59.253 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 1.327 120.612 119.300 -0.026 0.000 2.791 378 C HA 0.658 5.118 4.460 -0.000 0.000 0.270 378 C C 2.789 177.768 174.990 -0.020 0.000 1.257 378 C CA -0.628 58.400 59.018 0.018 0.000 1.699 378 C CB -1.657 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 1.945 124.750 122.820 -0.025 0.000 1.940 379 A HA -0.127 4.193 4.320 -0.000 0.000 0.221 379 A C 2.352 179.811 177.584 -0.209 0.000 1.190 379 A CA 2.468 54.477 52.037 -0.047 0.000 0.647 379 A CB -1.143 17.819 19.000 -0.063 0.000 0.821 379 A HN 0.566 nan 8.150 nan 0.000 0.457 380 G N -1.052 107.615 108.800 -0.221 0.000 2.464 380 G HA2 0.090 4.050 3.960 -0.000 0.000 0.217 380 G HA3 0.090 4.050 3.960 -0.000 0.000 0.217 380 G C 0.792 175.642 174.900 -0.084 0.000 1.138 380 G CA 0.740 45.732 45.100 -0.180 0.000 0.793 380 G HN 0.538 nan 8.290 nan 0.000 0.539 381 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 0.574 177.184 176.600 0.016 0.000 1.245 381 E CA -0.117 56.298 56.400 0.026 0.000 1.013 381 E CB 0.318 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 2.489 118.209 115.700 0.034 0.000 2.784 382 S HA -0.136 4.334 4.470 -0.000 0.000 0.322 382 S C 1.497 176.121 174.600 0.040 0.000 1.234 382 S CA -0.105 58.116 58.200 0.034 0.000 1.064 382 S CB 0.019 63.246 63.200 0.046 0.000 0.787 382 S HN 0.557 nan 8.310 nan 0.000 0.506 383 L N 3.204 124.443 121.223 0.027 0.000 2.058 383 L HA -0.340 4.000 4.340 -0.000 0.000 0.226 383 L C 2.336 179.260 176.870 0.091 0.000 1.089 383 L CA 2.177 57.038 54.840 0.034 0.000 0.799 383 L CB -0.649 41.440 42.059 0.050 0.000 0.900 383 L HN 0.802 nan 8.230 nan 0.000 0.442 384 E N -0.964 119.298 120.200 0.103 0.000 2.037 384 E HA -0.342 4.008 4.350 -0.000 0.000 0.214 384 E C 1.906 178.589 176.600 0.139 0.000 1.041 384 E CA 2.326 58.802 56.400 0.127 0.000 0.872 384 E CB -0.558 29.200 29.700 0.098 0.000 0.785 384 E HN 0.554 nan 8.360 nan 0.000 0.476 385 T N 0.065 114.688 114.554 0.115 0.000 2.778 385 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 385 T C 1.867 176.653 174.700 0.144 0.000 1.050 385 T CA 1.588 63.765 62.100 0.129 0.000 1.137 385 T CB -0.297 68.640 68.868 0.115 0.000 0.860 385 T HN 0.312 nan 8.240 nan 0.000 0.468 386 A N 0.556 123.445 122.820 0.114 0.000 1.927 386 A HA -0.115 4.205 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 2.651 54.745 52.037 0.094 0.000 0.639 386 A CB -0.978 18.028 19.000 0.010 0.000 0.820 386 A HN 0.630 nan 8.150 nan 0.000 0.451 387 S N -1.344 114.506 115.700 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 1.521 59.954 58.200 0.388 0.000 0.964 387 S CB -0.777 62.735 63.200 0.521 0.000 0.882 387 S HN 0.823 nan 8.310 nan 0.000 0.469 388 T N 2.015 116.703 114.554 0.224 0.000 2.881 388 T HA -0.044 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 0.103 nan 8.240 nan 0.000 0.479 389 V N 1.406 121.447 119.914 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 -0.948 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 -0.056 119.817 119.800 0.122 0.000 2.047 390 Q HA -0.345 3.995 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 2.320 58.151 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 58.362 56.287 0.246 0.000 0.929 391 K CB -0.355 32.271 32.500 0.209 0.000 0.715 391 K HN 0.438 nan 8.250 nan 0.000 0.451 392 H N -0.204 118.893 119.070 0.046 0.000 2.389 392 H HA -0.073 4.483 4.556 -0.000 0.000 0.299 392 H C 1.864 177.165 175.328 -0.044 0.000 1.081 392 H CA 1.302 57.360 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 1.003 120.724 119.914 -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 -0.218 3.902 4.120 -0.000 0.000 0.249 394 V C 2.237 178.204 176.094 -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 31.285 31.823 -0.067 0.000 0.658 394 V HN 0.550 nan 8.190 nan 0.000 0.455 395 S N -1.479 114.127 115.700 -0.158 0.000 2.803 395 S HA 0.253 4.723 4.470 -0.000 0.000 0.228 395 S C 1.261 175.777 174.600 -0.140 0.000 0.953 395 S CA 0.222 58.358 58.200 -0.105 0.000 0.983 395 S CB -0.306 62.906 63.200 0.020 0.000 0.784 395 S HN 0.510 nan 8.310 nan 0.000 0.498 396 I N -0.974 119.440 120.570 -0.260 0.000 3.812 396 I HA 0.212 4.382 4.170 -0.000 0.000 0.292 396 I C 2.404 178.321 176.117 -0.334 0.000 1.206 396 I CA 0.417 61.573 61.300 -0.240 0.000 1.370 396 I CB -0.332 37.531 38.000 -0.229 0.000 1.328 396 I HN 0.353 nan 8.210 nan 0.000 0.453 397 G N 0.481 108.967 108.800 -0.524 0.000 2.403 397 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 397 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 397 G C 1.142 175.725 174.900 -0.529 0.000 1.154 397 G CA 0.766 45.527 45.100 -0.565 0.000 0.784 397 G HN 0.186 nan 8.290 nan 0.000 0.538 398 D N 0.413 120.569 120.400 -0.406 0.000 2.087 398 D HA -0.114 4.525 4.640 -0.000 0.000 0.192 398 D C 2.693 178.795 176.300 -0.330 0.000 0.993 398 D CA 0.963 54.741 54.000 -0.370 0.000 0.828 398 D CB -0.461 40.218 40.800 -0.202 0.000 0.968 398 D HN 0.129 nan 8.370 nan 0.000 0.448 399 V N 0.939 120.721 119.914 -0.221 0.000 3.078 399 V HA -0.126 3.994 4.120 -0.000 0.000 0.265 399 V C 2.169 178.171 176.094 -0.152 0.000 1.122 399 V CA 1.555 63.766 62.300 -0.148 0.000 1.141 399 V CB -0.556 31.216 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 56.109 56.100 -0.151 0.000 1.069 400 R CB -0.095 30.153 30.300 -0.087 0.000 1.115 400 R HN 0.374 nan 8.270 nan 0.000 0.571 401 Q N 1.360 120.908 119.800 -0.420 0.000 2.457 401 Q HA -0.197 4.143 4.340 -0.000 0.000 0.283 401 Q C -1.124 174.817 176.000 -0.099 0.000 1.234 401 Q CA 1.223 56.682 55.803 -0.572 0.000 0.877 401 Q CB -1.233 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 -0.170 120.203 120.400 -0.045 0.000 2.513 402 D HA 0.446 5.086 4.640 -0.000 0.000 0.295 402 D C -0.354 176.018 176.300 0.120 0.000 1.202 402 D CA 0.218 54.267 54.000 0.082 0.000 0.849 402 D CB 0.065 40.907 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 -1.889 173.229 174.990 0.214 0.000 1.401 403 C CA -1.208 57.923 59.018 0.189 0.000 1.142 403 C CB 0.321 28.137 27.740 0.126 0.000 1.559 403 C HN 0.488 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 0.721 5.061 4.340 -0.000 0.000 0.260 404 L C -1.690 175.226 176.870 0.076 0.000 0.924 404 L CA -0.314 54.598 54.840 0.120 0.000 0.901 404 L CB 1.947 44.060 42.059 0.091 0.000 1.369 404 L HN 0.796 nan 8.230 nan 0.000 0.415 405 V N 5.115 125.027 119.914 -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 -0.512 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 3.993 125.238 121.223 0.037 0.000 2.346 406 L HA 1.019 5.359 4.340 -0.000 0.000 0.274 406 L C -0.585 176.291 176.870 0.010 0.000 1.007 406 L CA -0.297 54.560 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 0.302 119.601 119.300 -0.003 0.000 2.880 407 C HA 0.809 5.269 4.460 -0.000 0.000 0.320 407 C C -0.041 174.889 174.990 -0.100 0.000 1.176 407 C CA -0.552 58.435 59.018 -0.052 0.000 1.390 407 C CB 1.741 29.413 27.740 -0.113 0.000 1.846 407 C HN 0.955 nan 8.230 nan 0.000 0.478 408 S N 2.178 117.795 115.700 -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 1.750 64.783 63.200 -0.279 0.000 1.073 408 S HN 0.682 nan 8.310 nan 0.000 0.491 409 P HA 0.311 nan 4.420 nan 0.000 0.272 409 P C -2.925 174.338 177.300 -0.061 0.000 1.240 409 P CA -1.567 61.265 63.100 -0.447 0.000 0.791 409 P CB -0.634 30.826 31.700 -0.401 0.000 0.978 410 P HA 0.288 nan 4.420 nan 0.000 0.280 410 P C 1.139 178.374 177.300 -0.109 0.000 1.244 410 P CA -0.206 62.767 63.100 -0.212 0.000 0.784 410 P CB 0.466 31.873 31.700 -0.487 0.000 0.913 411 R N 2.106 122.437 120.500 -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 -0.840 119.251 120.200 -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 2.089 58.419 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 0.025 4.375 4.350 -0.000 0.000 0.265 413 T C 1.408 176.043 174.700 -0.109 0.000 1.111 413 T CA 0.591 62.617 62.100 -0.122 0.000 1.118 413 T CB 0.340 69.019 68.868 -0.316 0.000 0.909 413 T HN -0.038 nan 8.240 nan 0.000 0.501 414 V N -0.716 119.121 119.914 -0.130 0.000 3.368 414 V HA 0.215 4.334 4.120 -0.000 0.000 0.255 414 V C 2.021 177.992 176.094 -0.205 0.000 1.466 414 V CA 0.250 62.473 62.300 -0.128 0.000 1.095 414 V CB 1.031 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 0.540 120.264 119.914 -0.317 0.000 2.426 415 V HA 0.065 4.185 4.120 -0.000 0.000 0.242 415 V C 2.518 178.394 176.094 -0.364 0.000 1.036 415 V CA 2.200 64.159 62.300 -0.568 0.000 1.044 415 V CB -0.785 30.454 31.823 -0.973 0.000 0.688 415 V HN 0.534 nan 8.190 nan 0.000 0.462 416 G N 1.608 110.266 108.800 -0.237 0.000 2.464 416 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G C 0.731 175.581 174.900 -0.083 0.000 1.218 416 G CA 1.097 46.120 45.100 -0.129 0.000 0.794 416 G HN 0.528 nan 8.290 nan 0.000 0.542 417 I N 0.755 121.282 120.570 -0.072 0.000 3.194 417 I HA 0.360 4.529 4.170 -0.000 0.000 0.283 417 I C -1.935 174.159 176.117 -0.039 0.000 1.199 417 I CA -3.349 57.926 61.300 -0.042 0.000 1.328 417 I CB -0.573 37.411 38.000 -0.027 0.000 1.404 417 I HN 0.013 nan 8.210 nan 0.000 0.618 418 P HA 0.164 nan 4.420 nan 0.000 0.276 418 P C 0.816 178.109 177.300 -0.012 0.000 1.252 418 P CA -0.468 62.624 63.100 -0.014 0.000 0.802 418 P CB 0.979 32.676 31.700 -0.006 0.000 1.035 419 V N 0.352 120.262 119.914 -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 2.483 64.780 62.300 -0.004 0.000 1.051 419 V CB -1.946 29.877 31.823 0.000 0.000 0.658 419 V HN 0.621 nan 8.190 nan 0.000 0.455 420 T N 0.368 114.925 114.554 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 2.331 64.436 62.100 0.009 0.000 1.181 420 T CB -0.334 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 2.840 179.156 176.300 0.028 0.000 1.136 421 R CA 1.207 57.320 56.100 0.021 0.000 0.959 421 R CB -0.704 29.605 30.300 0.015 0.000 0.856 421 R HN 0.416 nan 8.270 nan 0.000 0.437 422 A N 0.975 123.801 122.820 0.010 0.000 1.870 422 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 422 A C 2.411 180.003 177.584 0.013 0.000 1.224 422 A CA 2.303 54.340 52.037 -0.000 0.000 0.650 422 A CB -0.965 18.024 19.000 -0.019 0.000 0.836 422 A HN 0.152 nan 8.150 nan 0.000 0.454 423 V N 0.420 120.344 119.914 0.017 0.000 2.295 423 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 423 V C 2.228 178.352 176.094 0.050 0.000 1.049 423 V CA 2.202 64.517 62.300 0.025 0.000 1.024 423 V CB -1.059 30.776 31.823 0.021 0.000 0.648 423 V HN 0.516 nan 8.190 nan 0.000 0.447 424 D N 0.618 121.053 120.400 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 1.756 55.806 54.000 0.082 0.000 0.849 424 D CB -0.478 40.365 40.800 0.072 0.000 0.942 424 D HN 0.416 nan 8.370 nan 0.000 0.446 425 N N 0.573 119.365 118.700 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 -0.819 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 4.141 4.340 -0.000 0.000 0.212 426 L C 2.175 179.127 176.870 0.136 0.000 1.073 426 L CA 1.093 55.962 54.840 0.048 0.000 0.753 426 L CB -0.261 41.818 42.059 0.034 0.000 0.890 426 L HN 0.017 nan 8.230 nan 0.000 0.432 427 V N -0.639 119.343 119.914 0.112 0.000 2.379 427 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 427 V C 2.107 178.279 176.094 0.130 0.000 1.044 427 V CA 1.652 64.014 62.300 0.103 0.000 1.036 427 V CB -0.810 31.057 31.823 0.074 0.000 0.664 427 V HN 0.464 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 -0.243 4.497 4.740 -0.000 0.000 0.193 428 N C 1.392 177.077 175.510 0.291 0.000 1.030 428 N CA 1.847 55.050 53.050 0.256 0.000 0.856 428 N CB -0.564 38.163 38.487 0.399 0.000 1.023 428 N HN 0.700 nan 8.380 nan 0.000 0.424 429 W N 2.248 123.552 121.300 0.007 0.000 2.363 429 W HA 0.008 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 0.948 58.231 57.345 -0.103 0.000 1.260 429 W CB -0.018 29.161 29.460 -0.468 0.000 1.131 429 W HN -0.058 nan 8.180 nan 0.000 0.530 430 R N -0.409 120.107 120.500 0.028 0.000 2.316 430 R HA -0.026 4.314 4.340 -0.000 0.000 0.202 430 R C 1.741 177.966 176.300 -0.125 0.000 1.029 430 R CA 1.501 57.539 56.100 -0.103 0.000 1.018 430 R CB -0.374 29.935 30.300 0.015 0.000 0.888 430 R HN 0.330 nan 8.270 nan 0.000 0.471 431 T N -2.904 111.616 114.554 -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 0.993 63.065 62.100 -0.046 0.000 1.215 431 T CB 0.467 69.331 68.868 -0.006 0.000 1.196 431 T HN 0.162 nan 8.240 nan 0.000 0.376 432 A N 0.616 123.465 122.820 0.049 0.000 3.522 432 A HA 0.598 4.918 4.320 -0.000 0.000 0.113 432 A C 1.664 179.316 177.584 0.115 0.000 1.309 432 A CA 1.299 53.382 52.037 0.075 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 -1.171 121.695 122.820 0.076 0.000 5.264 433 A HA -0.049 4.271 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 3.626 55.707 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 -2.985 105.864 108.800 0.081 0.000 2.622 434 G HA2 0.214 4.174 3.960 -0.000 0.000 0.206 434 G HA3 0.214 4.174 3.960 -0.000 0.000 0.206 434 G C 1.613 176.495 174.900 -0.031 0.000 1.458 434 G CA 1.834 46.949 45.100 0.026 0.000 0.919 434 G HN 1.344 nan 8.290 nan 0.000 0.508 435 S N -0.095 115.512 115.700 -0.155 0.000 2.404 435 S HA 0.062 4.532 4.470 -0.000 0.000 0.223 435 S C 0.954 175.396 174.600 -0.264 0.000 1.040 435 S CA 0.430 58.439 58.200 -0.318 0.000 0.957 435 S CB -0.205 62.638 63.200 -0.594 0.000 0.826 435 S HN 0.428 nan 8.310 nan 0.000 0.491 436 Y N 2.133 122.506 120.300 0.122 0.000 2.826 436 Y HA 0.368 4.918 4.550 -0.000 0.000 0.371 436 Y C 1.754 177.743 175.900 0.149 0.000 1.252 436 Y CA -0.534 57.679 58.100 0.189 0.000 1.813 436 Y CB -0.766 37.916 38.460 0.370 0.000 1.913 436 Y HN 0.083 nan 8.280 nan 0.000 0.447 437 T N -1.049 113.612 114.554 0.177 0.000 2.937 437 T HA -0.115 4.235 4.350 -0.000 0.000 0.260 437 T C 1.053 175.822 174.700 0.114 0.000 1.051 437 T CA 2.008 64.181 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 1.753 122.228 120.400 0.125 0.000 2.154 438 D HA 0.009 4.649 4.640 -0.000 0.000 0.211 438 D C 0.908 177.296 176.300 0.146 0.000 0.977 438 D CA 0.602 54.667 54.000 0.107 0.000 0.869 438 D CB -0.444 40.410 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 -0.333 175.423 175.510 0.409 0.000 1.281 439 N CA -0.019 53.211 53.050 0.300 0.000 1.212 439 N CB -0.483 38.201 38.487 0.328 0.000 1.478 439 N HN 0.464 nan 8.380 nan 0.000 0.548 440 N N -0.220 118.590 118.700 0.184 0.000 2.434 440 N HA 0.115 4.855 4.740 -0.000 0.000 0.266 440 N C -0.531 174.800 175.510 -0.298 0.000 1.223 440 N CA -0.413 52.597 53.050 -0.067 0.000 0.972 440 N CB 0.843 39.292 38.487 -0.063 0.000 1.207 440 N HN 0.025 nan 8.380 nan 0.000 0.525 441 F N 0.177 119.514 119.950 -1.021 0.000 2.850 441 F HA 0.296 4.823 4.527 -0.000 0.000 0.329 441 F C 0.202 175.662 175.800 -0.567 0.000 1.182 441 F CA -1.101 56.330 58.000 -0.948 0.000 1.270 441 F CB -0.690 37.153 39.000 -1.927 0.000 0.979 441 F HN 0.439 nan 8.300 nan 0.000 0.506 442 N N 3.381 121.805 118.700 -0.460 0.000 3.027 442 N HA 0.072 4.812 4.740 -0.000 0.000 0.309 442 N C -0.243 175.037 175.510 -0.383 0.000 1.222 442 N CA 0.284 53.111 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 -2.655 117.571 120.570 -0.573 0.000 3.206 443 I HA 0.613 4.783 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 2.045 39.728 38.000 -0.528 0.000 1.240 443 I HN -0.041 nan 8.210 nan 0.000 0.464 444 S N 2.001 117.542 115.700 -0.265 0.000 2.488 444 S HA 0.316 4.786 4.470 -0.000 0.000 0.151 444 S C -0.845 173.684 174.600 -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 0.468 4.938 4.470 -0.000 0.000 0.290 445 S C 1.517 176.114 174.600 -0.005 0.000 1.150 445 S CA 0.189 58.378 58.200 -0.018 0.000 1.058 445 S CB 1.406 64.613 63.200 0.012 0.000 1.032 445 S HN 0.780 nan 8.310 nan 0.000 0.510 446 T N 2.265 116.830 114.554 0.018 0.000 3.072 446 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 446 T C 0.827 175.379 174.700 -0.246 0.000 1.127 446 T CA 0.884 62.912 62.100 -0.121 0.000 1.107 446 T CB -0.471 68.287 68.868 -0.183 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 1.546 177.399 175.900 -0.079 0.000 1.127 447 Y CA -0.697 57.354 58.100 -0.081 0.000 1.288 447 Y CB 0.035 38.428 38.460 -0.112 0.000 1.084 447 Y HN 0.319 nan 8.280 nan 0.000 0.530 448 A N 1.168 124.020 122.820 0.053 0.000 2.302 448 A HA 0.709 5.029 4.320 -0.000 0.000 0.295 448 A C -0.074 177.529 177.584 0.033 0.000 1.235 448 A CA -0.106 51.953 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 3.766 126.616 122.820 0.050 0.000 2.311 449 A HA 0.623 4.942 4.320 -0.000 0.000 0.306 449 A C -0.060 177.564 177.584 0.067 0.000 1.189 449 A CA -0.462 51.596 52.037 0.035 0.000 0.791 449 A CB 0.354 19.360 19.000 0.009 0.000 1.172 449 A HN 1.031 nan 8.150 nan 0.000 0.481 450 I N 0.755 121.380 120.570 0.090 0.000 3.210 450 I HA 0.661 4.831 4.170 -0.000 0.000 0.316 450 I C -1.005 175.116 176.117 0.007 0.000 1.067 450 I CA -0.539 60.810 61.300 0.081 0.000 1.047 450 I CB 1.977 40.094 38.000 0.195 0.000 1.352 450 I HN 0.710 nan 8.210 nan 0.000 0.565 451 D N 1.311 121.684 120.400 -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 53.782 54.000 -0.118 0.000 0.943 451 D CB 1.690 42.410 40.800 -0.134 0.000 1.514 451 D HN 0.620 nan 8.370 nan 0.000 0.585 452 G N 3.042 111.733 108.800 -0.182 0.000 2.759 452 G HA2 0.138 4.098 3.960 -0.000 0.000 0.208 452 G HA3 0.138 4.098 3.960 -0.000 0.000 0.208 452 G C 0.441 175.258 174.900 -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 -1.884 116.719 118.700 -0.162 0.000 3.550 453 N HA 0.512 5.252 4.740 -0.000 0.000 0.357 453 N C -1.567 173.780 175.510 -0.273 0.000 1.585 453 N CA -0.862 52.090 53.050 -0.163 0.000 0.651 453 N CB 0.971 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 -0.668 175.474 175.900 0.403 0.000 1.061 454 Y CA -1.061 57.106 58.100 0.113 0.000 1.032 454 Y CB 2.334 40.784 38.460 -0.017 0.000 1.266 454 Y HN 0.388 nan 8.280 nan 0.000 0.441 455 K N 2.856 123.619 120.400 0.606 0.000 2.118 455 K HA 0.231 4.551 4.320 -0.000 0.000 0.264 455 K C -1.789 175.085 176.600 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 3.092 123.339 120.300 -0.087 0.000 2.587 456 Y HA 0.179 4.729 4.550 -0.000 0.000 0.328 456 Y C -0.188 175.548 175.900 -0.273 0.000 0.980 456 Y CA -0.315 57.417 58.100 -0.613 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 3.218 122.796 119.800 -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 0.713 nan 8.270 nan 0.000 0.509 458 Y N 0.509 120.684 120.300 -0.209 0.000 2.377 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.339 458 Y C -1.206 174.626 175.900 -0.113 0.000 1.011 458 Y CA -0.908 57.080 58.100 -0.188 0.000 1.093 458 Y CB 1.626 40.008 38.460 -0.129 0.000 1.201 458 Y HN 0.529 nan 8.280 nan 0.000 0.455 459 D N 6.401 126.291 120.400 -0.849 0.000 2.499 459 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 459 D C 0.748 176.551 176.300 -0.827 0.000 1.124 459 D CA -0.341 53.309 54.000 -0.583 0.000 0.938 459 D CB 0.736 41.335 40.800 -0.335 0.000 1.014 459 D HN 0.837 nan 8.370 nan 0.000 0.517 460 K N 2.393 122.412 120.400 -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 57.125 56.287 -0.409 0.000 0.936 460 K CB -0.154 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 1.629 121.783 120.300 -0.244 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.231 178.013 175.900 -0.197 0.000 1.109 461 Y CA 0.983 58.957 58.100 -0.210 0.000 1.099 461 Y CB -0.434 37.848 38.460 -0.298 0.000 1.030 461 Y HN 0.085 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 -0.198 175.237 175.510 -0.124 0.000 1.073 462 N CA 1.525 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 -1.382 174.804 176.300 -0.190 0.000 1.114 463 D CA 0.302 54.166 54.000 -0.226 0.000 0.695 463 D CB -1.079 39.692 40.800 -0.049 0.000 1.078 463 D HN -0.050 nan 8.370 nan 0.000 0.434 464 V N 0.143 119.864 119.914 -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 -1.294 60.893 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 3.009 121.605 118.700 -0.173 0.000 2.514 465 N HA 0.531 5.270 4.740 -0.000 0.000 0.277 465 N C -0.388 174.800 175.510 -0.536 0.000 1.126 465 N CA -0.218 52.601 53.050 -0.385 0.000 0.978 465 N CB 1.430 39.743 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 4.236 125.485 121.300 -0.085 0.000 2.322 467 W HA 0.384 5.044 4.660 -0.000 0.000 0.307 467 W C 0.121 176.604 176.519 -0.060 0.000 1.220 467 W CA -0.279 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 2.028 122.092 119.914 0.251 0.000 2.876 468 V HA 0.641 4.761 4.120 -0.000 0.000 0.312 468 V C -2.437 173.832 176.094 0.292 0.000 1.085 468 V CA -3.509 58.880 62.300 0.148 0.000 0.945 468 V CB 1.770 33.659 31.823 0.110 0.000 1.017 468 V HN 0.321 nan 8.190 nan 0.000 0.428 469 P HA 0.028 nan 4.420 nan 0.000 0.264 469 P C 0.350 177.851 177.300 0.334 0.000 1.193 469 P CA 0.089 63.575 63.100 0.644 0.000 0.763 469 P CB 1.176 33.109 31.700 0.389 0.000 0.810 470 L N 4.712 126.058 121.223 0.205 0.000 2.240 470 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 470 L C 2.447 179.349 176.870 0.054 0.000 1.106 470 L CA 1.721 56.624 54.840 0.104 0.000 0.793 470 L CB -1.704 40.376 42.059 0.036 0.000 0.927 470 L HN 0.438 nan 8.230 nan 0.000 0.446 471 A N 0.049 122.877 122.820 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 2.397 54.443 52.037 0.014 0.000 0.637 471 A CB -1.308 17.692 19.000 -0.000 0.000 0.827 471 A HN 0.541 nan 8.150 nan 0.000 0.450 472 A N -0.667 122.209 122.820 0.093 0.000 1.971 472 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 472 A C 1.959 179.660 177.584 0.196 0.000 1.182 472 A CA 2.430 54.544 52.037 0.129 0.000 0.649 472 A CB -0.665 18.413 19.000 0.129 0.000 0.818 472 A HN 0.641 nan 8.150 nan 0.000 0.458 473 D N -0.032 120.457 120.400 0.148 0.000 2.106 473 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 473 D C 2.064 178.309 176.300 -0.092 0.000 0.977 473 D CA 1.516 55.589 54.000 0.122 0.000 0.844 473 D CB -0.312 40.572 40.800 0.140 0.000 1.002 473 D HN 0.580 nan 8.370 nan 0.000 0.461 474 I N -0.605 119.919 120.570 -0.077 0.000 2.399 474 I HA -0.242 3.928 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 1.657 62.875 61.300 -0.137 0.000 1.412 474 I CB -0.448 37.512 38.000 -0.065 0.000 1.076 474 I HN -0.096 nan 8.210 nan 0.000 0.432 475 A N 1.918 124.741 122.820 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 1.828 53.929 52.037 0.106 0.000 0.623 475 A CB -1.581 17.529 19.000 0.183 0.000 0.818 475 A HN 0.563 nan 8.150 nan 0.000 0.443 476 G N -0.718 108.118 108.800 0.060 0.000 2.422 476 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.218 476 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.218 476 G C 1.333 175.947 174.900 -0.477 0.000 1.140 476 G CA 0.956 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 0.091 4.431 4.340 -0.000 0.000 0.224 477 L C 2.308 179.043 176.870 -0.225 0.000 1.148 477 L CA 0.775 55.260 54.840 -0.592 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 2.853 177.832 174.990 -0.018 0.000 1.341 478 C CA 0.185 59.173 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 53.654 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 0.441 176.740 176.300 -0.001 0.000 0.840 480 R CA 0.843 56.944 56.100 0.002 0.000 1.694 480 R CB -1.588 28.724 30.300 0.020 0.000 0.620 480 R HN 0.357 nan 8.270 nan 0.000 0.667 481 T N 2.800 117.350 114.554 -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 1.681 122.081 120.400 0.000 0.000 3.343 482 D HA -0.187 4.453 4.640 -0.000 0.000 0.231 482 D C 0.309 176.613 176.300 0.007 0.000 1.749 482 D CA 1.382 55.383 54.000 0.002 0.000 1.081 482 D CB -0.487 40.312 40.800 -0.002 0.000 0.753 482 D HN 0.774 nan 8.370 nan 0.000 0.889 483 N N -0.520 118.185 118.700 0.009 0.000 2.483 483 N HA 0.589 5.329 4.740 -0.000 0.000 0.285 483 N C -0.243 175.278 175.510 0.018 0.000 1.210 483 N CA -0.520 52.540 53.050 0.016 0.000 0.931 483 N CB 1.122 39.621 38.487 0.020 0.000 1.220 483 N HN 0.435 nan 8.380 nan 0.000 0.542 497 G N 1.900 110.701 108.800 0.002 0.000 3.313 497 G HA2 -0.135 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 -0.745 174.174 174.900 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 0.478 120.301 119.800 0.039 0.000 2.394 498 Q HA 0.296 4.636 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 1.627 122.256 120.570 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 0.145 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 2.714 124.041 121.223 0.174 0.000 1.982 500 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 500 L C 1.333 178.230 176.870 0.045 0.000 1.078 500 L CA 1.701 56.576 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 -1.152 117.583 118.700 0.059 0.000 2.214 501 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 501 N C -0.092 175.453 175.510 0.058 0.000 1.132 501 N CA -0.150 52.927 53.050 0.046 0.000 0.856 501 N CB 0.039 38.554 38.487 0.048 0.000 1.020 501 N HN -0.052 nan 8.380 nan 0.000 0.509 502 V N 1.737 121.696 119.914 0.075 0.000 3.178 502 V HA -0.006 4.114 4.120 -0.000 0.000 0.306 502 V C 1.489 177.621 176.094 0.065 0.000 1.107 502 V CA 0.488 62.836 62.300 0.081 0.000 1.195 502 V CB 0.639 32.521 31.823 0.098 0.000 0.993 502 V HN 0.465 nan 8.190 nan 0.000 0.493 503 I N -0.892 119.726 120.570 0.080 0.000 4.453 503 I HA 0.555 4.725 4.170 -0.000 0.000 0.342 503 I C -0.120 176.048 176.117 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 38.246 38.000 0.090 0.000 1.545 503 I HN 0.620 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 -2.290 174.405 176.600 0.157 0.000 1.135 504 K CA -0.552 55.771 56.287 0.060 0.000 0.960 504 K CB 1.453 33.884 32.500 -0.114 0.000 1.374 504 K HN 0.260 nan 8.250 nan 0.000 0.400 505 L N 2.749 124.100 121.223 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 -0.586 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 2.998 126.036 122.820 0.364 0.000 1.948 506 A HA -0.048 4.271 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 18.425 19.000 -0.147 0.000 0.815 506 A HN 0.628 nan 8.150 nan 0.000 0.449 507 I N -4.720 115.888 120.570 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 0.049 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 2.677 122.901 120.200 0.039 0.000 2.347 508 E HA 0.268 4.618 4.350 -0.000 0.000 0.285 508 E C -0.517 176.098 176.600 0.025 0.000 0.925 508 E CA -0.166 56.256 56.400 0.037 0.000 0.779 508 E CB 2.633 32.361 29.700 0.047 0.000 1.233 508 E HN 0.888 nan 8.360 nan 0.000 0.414 509 T N -1.068 113.498 114.554 0.021 0.000 3.075 509 T HA 0.343 4.693 4.350 -0.000 0.000 0.251 509 T C -1.120 173.588 174.700 0.014 0.000 0.979 509 T CA -0.035 62.077 62.100 0.020 0.000 1.033 509 T CB -0.300 68.580 68.868 0.021 0.000 1.104 509 T HN 0.358 nan 8.240 nan 0.000 0.473 510 P HA 0.000 nan 4.420 nan 0.000 0.216 510 P CA 0.000 63.107 63.100 0.012 0.000 0.800 510 P CB 0.000 31.706 31.700 0.011 0.000 0.726