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_B 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 0.669 119.383 118.700 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 1.556 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 1.107 nan 8.380 nan 0.000 0.555 23 S N -3.883 111.834 115.700 0.030 0.000 3.807 23 S HA -0.224 4.246 4.470 -0.000 0.000 0.304 23 S C 0.205 174.832 174.600 0.045 0.000 1.152 23 S CA 2.010 60.231 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 -0.759 113.823 114.554 0.046 0.000 3.704 24 T HA -0.111 4.239 4.350 -0.000 0.000 0.388 24 T C 0.827 175.568 174.700 0.069 0.000 0.763 24 T CA 1.521 63.654 62.100 0.055 0.000 2.005 24 T CB -2.025 66.876 68.868 0.055 0.000 1.752 24 T HN 2.380 nan 8.240 nan 0.000 0.747 25 G N 2.904 111.749 108.800 0.075 0.000 2.687 25 G HA2 0.394 4.354 3.960 -0.000 0.000 0.288 25 G HA3 0.394 4.354 3.960 -0.000 0.000 0.288 25 G C 0.227 175.208 174.900 0.136 0.000 0.713 25 G CA 0.186 45.347 45.100 0.102 0.000 2.023 25 G HN 0.684 nan 8.290 nan 0.000 0.529 26 T N 1.705 116.322 114.554 0.105 0.000 2.733 26 T HA 0.564 4.914 4.350 -0.000 0.000 0.294 26 T C 0.768 175.490 174.700 0.037 0.000 0.956 26 T CA -0.036 62.112 62.100 0.079 0.000 0.987 26 T CB 1.411 70.313 68.868 0.056 0.000 0.920 26 T HN 0.651 nan 8.240 nan 0.000 0.470 27 A N 2.977 125.796 122.820 -0.002 0.000 2.240 27 A HA 0.924 5.244 4.320 -0.000 0.000 0.292 27 A C 0.067 177.437 177.584 -0.357 0.000 1.121 27 A CA -0.700 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 -0.619 121.889 122.820 -0.521 0.000 2.465 28 A HA 0.611 4.931 4.320 -0.000 0.000 0.292 28 A C -1.354 175.938 177.584 -0.488 0.000 1.041 28 A CA -0.234 51.349 52.037 -0.756 0.000 0.718 28 A CB 1.045 19.152 19.000 -1.488 0.000 1.266 28 A HN 1.901 nan 8.150 nan 0.000 0.403 29 L N 1.929 122.927 121.223 -0.375 0.000 2.455 29 L HA 0.951 5.291 4.340 -0.000 0.000 0.264 29 L C -0.577 175.978 176.870 -0.525 0.000 0.968 29 L CA 0.040 54.763 54.840 -0.196 0.000 0.827 29 L CB 2.056 44.016 42.059 -0.165 0.000 1.317 29 L HN 1.466 nan 8.230 nan 0.000 0.407 30 A N 2.879 125.018 122.820 -1.134 0.000 2.422 30 A HA 1.006 5.326 4.320 -0.000 0.000 0.302 30 A C -0.409 176.682 177.584 -0.820 0.000 1.041 30 A CA 0.185 51.493 52.037 -1.214 0.000 0.708 30 A CB 1.517 19.317 19.000 -2.001 0.000 1.257 30 A HN 1.371 nan 8.150 nan 0.000 0.414 31 G N 0.800 109.105 108.800 -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 -1.619 172.295 174.900 -1.644 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 0.048 119.285 120.400 -1.938 0.000 2.276 32 K HA 0.610 4.930 4.320 -0.000 0.000 0.283 32 K C -1.178 174.752 176.600 -1.117 0.000 1.044 32 K CA 0.105 55.683 56.287 -1.181 0.000 0.944 32 K CB 1.102 33.149 32.500 -0.755 0.000 1.012 32 K HN 0.322 nan 8.250 nan 0.000 0.472 33 F N 0.181 120.002 119.950 -0.215 0.000 2.620 33 F HA 0.174 4.701 4.527 -0.000 0.000 0.320 33 F C 1.569 177.389 175.800 0.033 0.000 1.069 33 F CA -1.013 56.968 58.000 -0.032 0.000 0.953 33 F CB 1.906 40.947 39.000 0.069 0.000 1.322 33 F HN 0.487 nan 8.300 nan 0.000 0.479 34 Q N 0.716 120.725 119.800 0.348 0.000 2.435 34 Q HA -0.024 4.316 4.340 -0.000 0.000 0.207 34 Q C -0.837 175.383 176.000 0.366 0.000 0.956 34 Q CA 0.795 56.746 55.803 0.247 0.000 0.917 34 Q CB 0.549 29.388 28.738 0.168 0.000 0.997 34 Q HN 0.576 nan 8.270 nan 0.000 0.497 35 W N -0.508 120.817 121.300 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 1.207 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 4.356 112.628 108.800 -0.881 0.000 2.631 36 G HA2 0.290 4.250 3.960 -0.000 0.000 0.271 36 G HA3 0.290 4.250 3.960 -0.000 0.000 0.271 36 G C -2.451 171.238 174.900 -2.019 0.000 1.302 36 G CA -0.769 43.737 45.100 -0.990 0.000 1.002 36 G HN 0.225 nan 8.290 nan 0.000 0.519 37 P HA 0.263 nan 4.420 nan 0.000 0.268 37 P C -0.525 176.608 177.300 -0.279 0.000 1.205 37 P CA 0.124 62.928 63.100 -0.493 0.000 0.771 37 P CB 1.017 32.594 31.700 -0.204 0.000 0.858 38 A N 3.948 126.661 122.820 -0.178 0.000 2.301 38 A HA 0.514 4.834 4.320 -0.000 0.000 0.298 38 A C 0.009 177.528 177.584 -0.108 0.000 1.185 38 A CA -0.665 51.252 52.037 -0.199 0.000 0.830 38 A CB -0.722 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 -0.312 119.451 119.950 -0.313 0.000 2.943 39 F HA -0.218 4.309 4.527 -0.000 0.000 0.258 39 F C 0.571 176.104 175.800 -0.445 0.000 0.995 39 F CA 1.455 59.127 58.000 -0.547 0.000 0.896 39 F CB -1.554 37.252 39.000 -0.324 0.000 0.821 39 F HN 0.732 nan 8.300 nan 0.000 0.828 40 Q N 0.316 119.952 119.800 -0.272 0.000 2.315 40 Q HA 0.473 4.813 4.340 -0.000 0.000 0.273 40 Q C -0.002 175.920 176.000 -0.129 0.000 1.053 40 Q CA -1.010 54.731 55.803 -0.104 0.000 0.817 40 Q CB 2.229 30.952 28.738 -0.024 0.000 1.326 40 Q HN 0.176 nan 8.270 nan 0.000 0.423 41 I N 2.216 122.757 120.570 -0.048 0.000 2.528 41 I HA 0.052 4.222 4.170 -0.000 0.000 0.276 41 I C 0.289 176.417 176.117 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 -0.016 0.000 1.448 41 I HN 0.323 nan 8.210 nan 0.000 0.776 42 K N 3.117 123.536 120.400 0.031 0.000 2.401 42 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 42 K C 0.061 176.700 176.600 0.065 0.000 1.018 42 K CA 0.256 56.585 56.287 0.069 0.000 0.981 42 K CB 0.511 33.083 32.500 0.120 0.000 0.933 42 K HN 0.428 nan 8.250 nan 0.000 0.477 43 Q N 2.418 122.252 119.800 0.056 0.000 2.227 43 Q HA 0.509 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 2.571 122.491 119.914 0.010 0.000 2.709 44 V HA 0.327 4.447 4.120 -0.000 0.000 0.308 44 V C -0.115 175.991 176.094 0.021 0.000 1.062 44 V CA -0.404 61.901 62.300 0.010 0.000 0.901 44 V CB 2.127 33.917 31.823 -0.055 0.000 1.003 44 V HN 1.056 nan 8.190 nan 0.000 0.425 45 T N 1.696 116.269 114.554 0.032 0.000 3.028 45 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 45 T C 0.526 175.252 174.700 0.042 0.000 0.979 45 T CA 0.051 62.179 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 1.154 119.873 118.700 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 1.344 39.850 38.487 0.032 0.000 1.203 46 N HN 0.126 nan 8.380 nan 0.000 0.565 47 E N 0.106 120.324 120.200 0.031 0.000 2.021 47 E HA -0.045 4.305 4.350 -0.000 0.000 0.189 47 E C 0.990 177.634 176.600 0.075 0.000 0.980 47 E CA 0.718 57.141 56.400 0.039 0.000 0.803 47 E CB 0.087 29.842 29.700 0.092 0.000 0.766 47 E HN 0.284 nan 8.360 nan 0.000 0.449 48 V N 1.809 121.779 119.914 0.094 0.000 3.140 48 V HA -0.178 3.942 4.120 -0.000 0.000 0.269 48 V C 1.567 177.705 176.094 0.072 0.000 1.149 48 V CA 1.850 64.212 62.300 0.103 0.000 1.162 48 V CB -0.519 31.355 31.823 0.083 0.000 0.756 48 V HN 0.261 nan 8.190 nan 0.000 0.523 49 D N -0.315 120.115 120.400 0.050 0.000 2.392 49 D HA 0.014 4.654 4.640 -0.000 0.000 0.206 49 D C 1.751 178.072 176.300 0.036 0.000 1.046 49 D CA 0.376 54.399 54.000 0.038 0.000 0.865 49 D CB 0.324 41.144 40.800 0.033 0.000 0.969 49 D HN 0.457 nan 8.370 nan 0.000 0.509 50 L N -1.454 119.778 121.223 0.015 0.000 2.202 50 L HA 0.189 4.529 4.340 -0.000 0.000 0.205 50 L C 1.926 178.828 176.870 0.052 0.000 1.083 50 L CA 0.872 55.722 54.840 0.017 0.000 0.790 50 L CB -1.044 40.897 42.059 -0.197 0.000 0.942 50 L HN -0.181 nan 8.230 nan 0.000 0.452 51 V N 1.542 121.499 119.914 0.070 0.000 2.255 51 V HA -0.308 3.812 4.120 -0.000 0.000 0.247 51 V C 2.696 178.828 176.094 0.063 0.000 1.051 51 V CA 2.159 64.553 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 0.250 118.974 118.700 0.041 0.000 2.133 52 N HA -0.209 4.531 4.740 -0.000 0.000 0.193 52 N C 1.558 177.048 175.510 -0.033 0.000 1.012 52 N CA 2.624 55.673 53.050 -0.001 0.000 0.871 52 N CB -0.235 38.259 38.487 0.012 0.000 1.011 52 N HN 0.572 nan 8.380 nan 0.000 0.435 53 T N -2.401 112.116 114.554 -0.061 0.000 3.018 53 T HA 0.242 4.592 4.350 -0.000 0.000 0.246 53 T C 0.030 174.382 174.700 -0.581 0.000 1.026 53 T CA 0.250 62.162 62.100 -0.314 0.000 1.081 53 T CB 0.252 68.825 68.868 -0.492 0.000 0.970 53 T HN 0.198 nan 8.240 nan 0.000 0.475 54 F N 0.575 120.473 119.950 -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 -0.036 38.591 39.000 -0.622 0.000 1.147 54 F HN 0.108 nan 8.300 nan 0.000 0.513 55 G N 0.108 109.018 108.800 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 0.897 175.839 174.900 0.071 0.000 1.169 55 G CA 1.135 46.350 45.100 0.193 0.000 0.771 55 G HN 0.247 nan 8.290 nan 0.000 0.598 56 Q N -0.029 119.637 119.800 -0.222 0.000 2.297 56 Q HA 0.407 4.747 4.340 -0.000 0.000 0.268 56 Q C -2.773 172.892 176.000 -0.558 0.000 1.045 56 Q CA -2.038 53.355 55.803 -0.682 0.000 0.861 56 Q CB 2.223 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 -0.367 176.842 177.300 -0.152 0.000 1.354 57 P CA -0.272 62.626 63.100 -0.335 0.000 0.814 57 P CB 0.667 32.130 31.700 -0.394 0.000 0.935 58 T N 0.129 114.657 114.554 -0.043 0.000 2.816 58 T HA 0.420 4.770 4.350 -0.000 0.000 0.282 58 T C 1.347 176.046 174.700 -0.003 0.000 0.993 58 T CA -0.285 61.800 62.100 -0.024 0.000 0.994 58 T CB 0.686 69.555 68.868 0.003 0.000 1.025 58 T HN 0.205 nan 8.240 nan 0.000 0.529 59 A N 0.170 122.987 122.820 -0.005 0.000 2.248 59 A HA 0.100 4.420 4.320 -0.000 0.000 0.210 59 A C 1.894 179.492 177.584 0.023 0.000 1.174 59 A CA 1.398 53.438 52.037 0.004 0.000 0.750 59 A CB -0.895 18.104 19.000 -0.001 0.000 0.780 59 A HN 0.935 nan 8.150 nan 0.000 0.478 60 E N -2.082 118.137 120.200 0.032 0.000 2.511 60 E HA 0.098 4.448 4.350 -0.000 0.000 0.209 60 E C 1.349 177.995 176.600 0.077 0.000 0.986 60 E CA 1.020 57.446 56.400 0.042 0.000 0.974 60 E CB 0.355 30.066 29.700 0.018 0.000 1.030 60 E HN 0.318 nan 8.360 nan 0.000 0.490 61 T N -0.790 113.822 114.554 0.097 0.000 2.999 61 T HA 0.290 4.640 4.350 -0.000 0.000 0.247 61 T C 1.670 176.531 174.700 0.268 0.000 1.012 61 T CA 0.422 62.624 62.100 0.171 0.000 1.048 61 T CB 0.016 68.982 68.868 0.162 0.000 1.020 61 T HN 0.221 nan 8.240 nan 0.000 0.478 62 A N 2.799 125.706 122.820 0.146 0.000 1.861 62 A HA -0.361 3.959 4.320 -0.000 0.000 0.248 62 A C 1.803 179.476 177.584 0.149 0.000 2.075 62 A CA 2.643 54.748 52.037 0.113 0.000 0.818 62 A CB -1.266 17.755 19.000 0.035 0.000 0.844 62 A HN 0.417 nan 8.150 nan 0.000 0.498 63 D N -2.126 118.294 120.400 0.033 0.000 2.354 63 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 63 D C 1.402 177.590 176.300 -0.187 0.000 0.970 63 D CA 1.188 55.118 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 -1.619 118.739 120.300 0.097 0.000 2.441 64 Y HA 0.114 4.664 4.550 -0.000 0.000 0.288 64 Y C 1.902 178.004 175.900 0.337 0.000 1.118 64 Y CA -0.271 57.898 58.100 0.115 0.000 1.215 64 Y CB -0.447 37.889 38.460 -0.208 0.000 1.118 64 Y HN -0.115 nan 8.280 nan 0.000 0.547 65 F N 0.444 120.628 119.950 0.390 0.000 2.031 65 F HA -0.308 4.219 4.527 -0.000 0.000 0.295 65 F C 2.291 178.169 175.800 0.130 0.000 1.133 65 F CA 1.704 59.834 58.000 0.217 0.000 1.188 65 F CB -0.309 38.751 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 2.039 57.508 55.300 0.281 0.000 1.096 66 M CB -1.253 31.462 32.600 0.193 0.000 1.300 66 M HN 0.229 nan 8.290 nan 0.000 0.411 67 S N -0.553 115.227 115.700 0.133 0.000 2.390 67 S HA -0.288 4.181 4.470 -0.000 0.000 0.234 67 S C 1.870 176.525 174.600 0.093 0.000 1.063 67 S CA 1.897 60.158 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 1.364 124.195 122.820 0.019 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 17.785 19.000 -0.257 0.000 0.851 68 A HN 0.593 nan 8.150 nan 0.000 0.445 69 M N 0.843 120.388 119.600 -0.090 0.000 2.471 69 M HA -0.282 4.198 4.480 -0.000 0.000 0.260 69 M C 1.589 177.963 176.300 0.123 0.000 1.065 69 M CA 2.718 58.017 55.300 -0.001 0.000 1.075 69 M CB -0.703 31.959 32.600 0.103 0.000 1.258 69 M HN 0.683 nan 8.290 nan 0.000 0.457 70 N N 0.358 119.159 118.700 0.168 0.000 2.567 70 N HA -0.133 4.607 4.740 -0.000 0.000 0.195 70 N C 0.878 176.560 175.510 0.288 0.000 1.242 70 N CA 0.691 53.848 53.050 0.177 0.000 0.884 70 N CB -0.946 37.648 38.487 0.178 0.000 1.007 70 N HN 0.639 nan 8.380 nan 0.000 0.450 71 F N 0.188 120.220 119.950 0.137 0.000 2.453 71 F HA 0.256 4.783 4.527 -0.000 0.000 0.284 71 F C 1.503 177.404 175.800 0.168 0.000 1.065 71 F CA -0.173 57.956 58.000 0.215 0.000 1.411 71 F CB 0.057 39.123 39.000 0.110 0.000 1.131 71 F HN -0.115 nan 8.300 nan 0.000 0.582 72 L N 1.602 123.000 121.223 0.292 0.000 2.651 72 L HA -0.166 4.173 4.340 -0.000 0.000 0.236 72 L C 1.996 178.799 176.870 -0.112 0.000 1.173 72 L CA 1.147 56.043 54.840 0.093 0.000 0.843 72 L CB -1.558 40.575 42.059 0.124 0.000 0.964 72 L HN 0.424 nan 8.230 nan 0.000 0.454 73 Q N -0.851 118.829 119.800 -0.200 0.000 2.172 73 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 73 Q C 1.294 176.947 176.000 -0.578 0.000 0.964 73 Q CA 1.370 56.924 55.803 -0.416 0.000 0.855 73 Q CB -0.133 28.253 28.738 -0.588 0.000 0.918 73 Q HN 0.630 nan 8.270 nan 0.000 0.444 74 Y N -0.920 119.200 120.300 -0.300 0.000 2.584 74 Y HA 0.480 5.029 4.550 -0.000 0.000 0.254 74 Y C 1.052 176.679 175.900 -0.455 0.000 1.177 74 Y CA -0.523 57.387 58.100 -0.317 0.000 1.216 74 Y CB 0.531 38.810 38.460 -0.302 0.000 1.172 74 Y HN -0.121 nan 8.280 nan 0.000 0.529 75 G N 0.339 108.900 108.800 -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 0.740 119.473 118.700 0.056 0.000 2.324 76 N HA 0.029 4.769 4.740 -0.000 0.000 0.192 76 N C 0.081 175.666 175.510 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 0.264 120.761 120.400 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 53.482 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 1.633 122.879 121.223 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 0.319 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 -0.708 175.581 176.300 -0.019 0.000 0.968 79 R CA -0.603 55.498 56.100 0.001 0.000 0.849 79 R CB 1.607 32.000 30.300 0.156 0.000 1.128 79 R HN 0.554 nan 8.270 nan 0.000 0.448 80 V N -0.335 119.537 119.914 -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 61.440 62.300 -0.164 0.000 1.000 80 V CB 2.579 34.107 31.823 -0.491 0.000 1.060 80 V HN 0.353 nan 8.190 nan 0.000 0.443 81 V N 3.112 122.895 119.914 -0.218 0.000 2.567 81 V HA 0.494 4.614 4.120 -0.000 0.000 0.298 81 V C -0.064 175.775 176.094 -0.426 0.000 1.047 81 V CA -0.566 61.515 62.300 -0.365 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 3.512 123.814 120.500 -0.329 0.000 2.347 82 R HA 0.605 4.944 4.340 -0.000 0.000 0.304 82 R C 0.118 175.965 176.300 -0.755 0.000 1.072 82 R CA -0.045 55.857 56.100 -0.330 0.000 0.980 82 R CB 1.048 31.322 30.300 -0.044 0.000 0.986 82 R HN 0.842 nan 8.270 nan 0.000 0.448 83 A N 5.003 127.373 122.820 -0.750 0.000 2.302 83 A HA 0.362 4.682 4.320 -0.000 0.000 0.295 83 A C -0.501 176.774 177.584 -0.515 0.000 1.235 83 A CA -0.514 51.060 52.037 -0.771 0.000 0.876 83 A CB 0.993 19.663 19.000 -0.550 0.000 1.133 83 A HN 0.527 nan 8.150 nan 0.000 0.533 84 V N 2.390 122.039 119.914 -0.441 0.000 2.881 84 V HA 0.287 4.407 4.120 -0.000 0.000 0.316 84 V C -0.217 175.904 176.094 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 1.694 122.109 120.400 0.025 0.000 2.308 85 D HA 0.261 4.901 4.640 -0.000 0.000 0.251 85 D C 0.904 177.244 176.300 0.067 0.000 1.127 85 D CA -0.044 53.986 54.000 0.049 0.000 0.876 85 D CB 1.032 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 1.962 122.506 120.500 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 0.599 56.718 56.100 0.033 0.000 1.000 86 R CB 0.330 30.612 30.300 -0.030 0.000 0.906 86 R HN 0.560 nan 8.270 nan 0.000 0.462 87 D N -1.023 119.378 120.400 0.001 0.000 2.289 87 D HA -0.048 4.592 4.640 -0.000 0.000 0.207 87 D C 1.041 177.336 176.300 -0.008 0.000 0.966 87 D CA 1.370 55.365 54.000 -0.008 0.000 0.868 87 D CB 0.665 41.462 40.800 -0.004 0.000 0.943 87 D HN 0.314 nan 8.370 nan 0.000 0.514 88 T N -3.005 111.546 114.554 -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 -0.198 177.372 177.584 -0.024 0.000 1.094 89 A CA -0.432 51.598 52.037 -0.012 0.000 0.807 89 A CB 0.549 19.542 19.000 -0.012 0.000 1.047 89 A HN 0.251 nan 8.150 nan 0.000 0.487 90 K N 1.327 121.715 120.400 -0.021 0.000 2.501 90 K HA 0.291 4.611 4.320 -0.000 0.000 0.252 90 K C -1.539 175.045 176.600 -0.026 0.000 0.934 90 K CA -0.491 55.778 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 0.346 119.009 118.700 -0.060 0.000 2.444 91 N HA 0.190 4.930 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 -0.051 52.967 53.050 -0.054 0.000 0.965 91 N CB 0.815 39.226 38.487 -0.126 0.000 1.092 91 N HN 0.341 nan 8.380 nan 0.000 0.476 92 S N 0.944 116.673 115.700 0.048 0.000 2.554 92 S HA 0.202 4.672 4.470 -0.000 0.000 0.290 92 S C 0.369 174.995 174.600 0.043 0.000 1.309 92 S CA -0.375 57.861 58.200 0.060 0.000 1.047 92 S CB 0.165 63.424 63.200 0.098 0.000 0.828 92 S HN 0.690 nan 8.310 nan 0.000 0.509 93 S N 0.963 116.692 115.700 0.047 0.000 2.656 93 S HA 0.621 5.091 4.470 -0.000 0.000 0.273 93 S C -3.012 171.611 174.600 0.039 0.000 1.168 93 S CA -1.357 56.880 58.200 0.062 0.000 0.817 93 S CB 1.511 64.784 63.200 0.122 0.000 1.146 93 S HN 0.327 nan 8.310 nan 0.000 0.475 94 P HA 0.351 nan 4.420 nan 0.000 0.245 94 P C 1.072 178.342 177.300 -0.050 0.000 1.203 94 P CA 0.028 63.114 63.100 -0.024 0.000 0.792 94 P CB -0.125 31.523 31.700 -0.088 0.000 0.997 95 I N 0.376 120.923 120.570 -0.037 0.000 2.315 95 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 95 I C 1.942 177.983 176.117 -0.128 0.000 1.117 95 I CA 1.027 62.270 61.300 -0.095 0.000 1.404 95 I CB -0.733 37.257 38.000 -0.016 0.000 1.071 95 I HN -0.138 nan 8.210 nan 0.000 0.419 96 A N -0.106 122.683 122.820 -0.053 0.000 2.281 96 A HA 0.364 4.684 4.320 -0.000 0.000 0.231 96 A C 1.837 179.388 177.584 -0.056 0.000 1.317 96 A CA 0.885 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 -0.480 174.892 175.510 -0.230 0.000 1.340 98 N CA 0.398 53.241 53.050 -0.345 0.000 0.865 98 N CB 0.730 38.624 38.487 -0.988 0.000 1.062 98 N HN 0.266 nan 8.380 nan 0.000 0.452 99 I N -0.081 120.416 120.570 -0.121 0.000 2.512 99 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 99 I C -0.394 175.841 176.117 0.197 0.000 1.069 99 I CA -0.663 60.640 61.300 0.006 0.000 1.056 99 I CB 1.170 39.177 38.000 0.012 0.000 1.229 99 I HN 0.286 nan 8.210 nan 0.000 0.429 100 E N 6.862 127.126 120.200 0.108 0.000 2.696 100 E HA -0.050 4.300 4.350 -0.000 0.000 0.270 100 E C -1.501 175.239 176.600 0.232 0.000 0.958 100 E CA 1.159 57.638 56.400 0.131 0.000 0.964 100 E CB 0.265 29.986 29.700 0.034 0.000 0.948 100 E HN 0.577 nan 8.360 nan 0.000 0.472 101 Y N -2.162 118.186 120.300 0.079 0.000 2.521 101 Y HA 0.388 4.938 4.550 -0.000 0.000 0.326 101 Y C -1.460 174.434 175.900 -0.010 0.000 1.176 101 Y CA -0.920 57.200 58.100 0.033 0.000 1.079 101 Y CB 1.017 39.504 38.460 0.045 0.000 1.341 101 Y HN 0.192 nan 8.280 nan 0.000 0.456 102 T N 4.767 119.391 114.554 0.117 0.000 2.949 102 T HA 0.419 4.769 4.350 -0.000 0.000 0.300 102 T C -0.402 174.357 174.700 0.098 0.000 0.988 102 T CA -0.567 61.536 62.100 0.005 0.000 0.993 102 T CB 1.157 70.008 68.868 -0.029 0.000 0.984 102 T HN 0.731 nan 8.240 nan 0.000 0.442 103 I N 3.068 123.698 120.570 0.099 0.000 2.624 103 I HA -0.014 4.156 4.170 -0.000 0.000 0.307 103 I C 1.594 177.727 176.117 0.027 0.000 1.191 103 I CA 0.005 61.346 61.300 0.069 0.000 1.708 103 I CB -0.165 37.867 38.000 0.053 0.000 1.521 103 I HN 0.701 nan 8.210 nan 0.000 0.805 104 S N 2.755 118.473 115.700 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 2.493 117.056 114.554 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 1.898 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 0.230 nan 4.420 nan 0.000 0.264 106 P C 0.761 178.092 177.300 0.052 0.000 1.193 106 P CA 0.125 63.228 63.100 0.005 0.000 0.763 106 P CB 0.506 32.217 31.700 0.018 0.000 0.810 107 G N 2.278 111.121 108.800 0.071 0.000 2.468 107 G HA2 0.443 4.403 3.960 -0.000 0.000 0.264 107 G HA3 0.443 4.403 3.960 -0.000 0.000 0.264 107 G C -0.346 174.723 174.900 0.282 0.000 1.460 107 G CA -0.131 45.163 45.100 0.324 0.000 1.060 107 G HN 0.626 nan 8.290 nan 0.000 0.543 108 S N -2.587 113.290 115.700 0.295 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 58.052 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 -0.494 118.221 118.700 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 1.172 177.076 175.900 0.007 0.000 1.324 110 Y CA 0.382 58.486 58.100 0.006 0.000 1.478 110 Y CB 0.731 39.195 38.460 0.006 0.000 1.378 110 Y HN 0.153 nan 8.280 nan 0.000 0.558 111 A N -0.431 122.505 122.820 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 0.090 0.000 1.281 111 A CA -0.521 51.579 52.037 0.105 0.000 0.744 111 A CB 0.305 19.343 19.000 0.063 0.000 1.332 111 A HN 0.468 nan 8.150 nan 0.000 0.454 112 V N -0.090 119.860 119.914 0.059 0.000 2.871 112 V HA 0.137 4.257 4.120 -0.000 0.000 0.256 112 V C 1.570 177.684 176.094 0.034 0.000 1.082 112 V CA 1.983 64.309 62.300 0.044 0.000 1.105 112 V CB 0.040 31.885 31.823 0.037 0.000 0.713 112 V HN 1.082 nan 8.190 nan 0.000 0.473 113 G N -0.599 108.221 108.800 0.034 0.000 4.432 113 G HA2 0.184 4.144 3.960 -0.000 0.000 0.294 113 G HA3 0.184 4.144 3.960 -0.000 0.000 0.294 113 G C -0.538 174.379 174.900 0.029 0.000 1.141 113 G CA -0.334 44.780 45.100 0.023 0.000 0.895 113 G HN 0.263 nan 8.290 nan 0.000 0.548 114 D N 1.590 122.017 120.400 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 0.388 54.424 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 2.006 122.424 120.400 0.030 0.000 2.185 115 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 115 K C 0.179 176.786 176.600 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 0.818 121.385 120.570 -0.005 0.000 2.603 116 I HA 0.262 4.432 4.170 -0.000 0.000 0.300 116 I C -0.283 175.836 176.117 0.004 0.000 1.017 116 I CA -0.735 60.559 61.300 -0.010 0.000 1.098 116 I CB 2.333 40.305 38.000 -0.046 0.000 1.279 116 I HN 0.446 nan 8.210 nan 0.000 0.437 117 T N 4.075 118.639 114.554 0.018 0.000 2.879 117 T HA 0.417 4.767 4.350 -0.000 0.000 0.290 117 T C -0.561 174.172 174.700 0.055 0.000 0.993 117 T CA -0.446 61.675 62.100 0.035 0.000 0.975 117 T CB 1.837 70.726 68.868 0.035 0.000 0.981 117 T HN 0.184 nan 8.240 nan 0.000 0.439 118 V N 4.589 124.552 119.914 0.080 0.000 2.370 118 V HA 0.444 4.564 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 -0.768 61.613 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 3.543 124.029 120.400 0.144 0.000 2.156 119 K HA 0.519 4.839 4.320 -0.000 0.000 0.254 119 K C -1.323 175.319 176.600 0.070 0.000 0.950 119 K CA -0.883 55.461 56.287 0.095 0.000 0.849 119 K CB 2.042 34.568 32.500 0.043 0.000 1.100 119 K HN 0.579 nan 8.250 nan 0.000 0.434 120 Y N 2.570 122.728 120.300 -0.238 0.000 2.491 120 Y HA 0.164 4.714 4.550 -0.000 0.000 0.334 120 Y C -0.537 175.151 175.900 -0.353 0.000 0.969 120 Y CA -1.533 56.228 58.100 -0.565 0.000 1.241 120 Y CB -0.086 37.892 38.460 -0.804 0.000 1.105 120 Y HN 0.398 nan 8.280 nan 0.000 0.503 121 V N 4.706 124.448 119.914 -0.287 0.000 5.981 121 V HA -0.294 3.826 4.120 -0.000 0.000 0.233 121 V C 0.835 176.811 176.094 -0.198 0.000 0.653 121 V CA 1.188 63.310 62.300 -0.295 0.000 0.677 121 V CB -2.459 29.068 31.823 -0.493 0.000 0.632 121 V HN 0.954 nan 8.190 nan 0.000 0.464 122 S N -0.233 115.404 115.700 -0.106 0.000 3.521 122 S HA -0.207 4.263 4.470 -0.000 0.000 0.362 122 S C 0.124 174.683 174.600 -0.069 0.000 1.044 122 S CA 1.507 59.666 58.200 -0.068 0.000 1.091 122 S CB -0.599 62.563 63.200 -0.063 0.000 0.908 122 S HN 1.057 nan 8.310 nan 0.000 0.473 123 D N 0.868 121.226 120.400 -0.071 0.000 2.863 123 D HA 0.332 4.972 4.640 -0.000 0.000 0.245 123 D C -1.100 175.201 176.300 0.002 0.000 1.211 123 D CA -0.564 53.406 54.000 -0.049 0.000 0.888 123 D CB 1.296 42.039 40.800 -0.094 0.000 1.483 123 D HN -0.044 nan 8.370 nan 0.000 0.533 124 D N 3.521 123.931 120.400 0.017 0.000 2.417 124 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 124 D C 1.184 177.524 176.300 0.068 0.000 1.166 124 D CA -0.104 53.922 54.000 0.043 0.000 0.881 124 D CB 1.251 42.070 40.800 0.032 0.000 1.164 124 D HN 0.312 nan 8.370 nan 0.000 0.467 125 I N 0.622 121.255 120.570 0.104 0.000 3.345 125 I HA 0.098 4.268 4.170 -0.000 0.000 0.258 125 I C 0.673 176.853 176.117 0.106 0.000 1.134 125 I CA 0.362 61.742 61.300 0.134 0.000 1.457 125 I CB -0.310 37.832 38.000 0.236 0.000 1.425 125 I HN 0.266 nan 8.210 nan 0.000 0.461 126 E N 1.438 121.701 120.200 0.105 0.000 2.222 126 E HA 0.375 4.725 4.350 -0.000 0.000 0.267 126 E C -0.075 176.555 176.600 0.050 0.000 0.884 126 E CA -0.164 56.277 56.400 0.069 0.000 0.764 126 E CB 1.428 31.168 29.700 0.067 0.000 1.169 126 E HN 0.220 nan 8.360 nan 0.000 0.413 127 T N 0.852 115.424 114.554 0.030 0.000 3.399 127 T HA 0.301 4.651 4.350 -0.000 0.000 0.305 127 T C -0.034 174.670 174.700 0.007 0.000 0.983 127 T CA -0.488 61.624 62.100 0.021 0.000 0.967 127 T CB 0.071 68.952 68.868 0.021 0.000 1.186 127 T HN 0.280 nan 8.240 nan 0.000 0.504 128 E N 1.166 121.366 120.200 -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 0.679 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 1.976 110.765 108.800 -0.020 0.000 2.699 129 G HA2 0.264 4.224 3.960 -0.000 0.000 0.246 129 G HA3 0.264 4.224 3.960 -0.000 0.000 0.246 129 G C -0.181 174.699 174.900 -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 0.165 120.539 120.400 -0.043 0.000 2.584 130 K HA 0.243 4.563 4.320 -0.000 0.000 0.260 130 K C -0.787 175.789 176.600 -0.040 0.000 0.949 130 K CA -0.950 55.319 56.287 -0.030 0.000 0.888 130 K CB 0.882 33.374 32.500 -0.013 0.000 1.330 130 K HN 0.356 nan 8.250 nan 0.000 0.432 131 I N 2.571 123.115 120.570 -0.043 0.000 2.948 131 I HA -0.158 4.012 4.170 -0.000 0.000 0.303 131 I C 1.045 177.156 176.117 -0.010 0.000 1.224 131 I CA 1.006 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 0.456 115.009 114.554 -0.002 0.000 3.041 132 T HA 0.228 4.578 4.350 -0.000 0.000 0.276 132 T C 0.111 174.830 174.700 0.031 0.000 0.948 132 T CA -0.401 61.714 62.100 0.025 0.000 0.885 132 T CB 0.302 69.198 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 55.691 56.400 0.026 0.000 0.803 133 E CB 2.404 32.119 29.700 0.026 0.000 1.286 133 E HN 0.280 nan 8.360 nan 0.000 0.401 134 V N 0.790 120.723 119.914 0.031 0.000 3.103 134 V HA 0.650 4.770 4.120 -0.000 0.000 0.318 134 V C 0.027 176.143 176.094 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 1.313 121.736 120.400 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 -0.919 121.918 122.820 0.029 0.000 2.067 136 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 136 A C 1.105 178.706 177.584 0.028 0.000 1.156 136 A CA 1.148 53.200 52.037 0.026 0.000 0.683 136 A CB -0.420 18.593 19.000 0.020 0.000 0.808 136 A HN 0.437 nan 8.150 nan 0.000 0.455 137 D N -1.525 118.895 120.400 0.034 0.000 2.369 137 D HA 0.279 4.919 4.640 -0.000 0.000 0.211 137 D C 1.299 177.631 176.300 0.054 0.000 1.077 137 D CA 0.962 54.984 54.000 0.036 0.000 0.842 137 D CB 0.288 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 1.307 110.148 108.800 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 0.216 175.213 174.900 0.160 0.000 0.979 138 G CA -0.260 44.908 45.100 0.114 0.000 0.650 138 G HN 0.299 nan 8.290 nan 0.000 0.529 139 K N 0.691 121.154 120.400 0.105 0.000 2.447 139 K HA 0.304 4.624 4.320 -0.000 0.000 0.281 139 K C 1.048 177.677 176.600 0.048 0.000 1.031 139 K CA -0.030 56.308 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 0.149 61.410 61.300 -0.066 0.000 1.387 140 I CB 0.392 38.267 38.000 -0.208 0.000 1.404 140 I HN 0.527 nan 8.210 nan 0.000 0.528 141 K N 5.149 125.545 120.400 -0.008 0.000 2.313 141 K HA 0.217 4.537 4.320 -0.000 0.000 0.197 141 K C 0.425 177.035 176.600 0.016 0.000 1.061 141 K CA 0.572 56.861 56.287 0.004 0.000 0.980 141 K CB 0.549 33.053 32.500 0.007 0.000 0.888 141 K HN 0.515 nan 8.250 nan 0.000 0.502 142 K N 0.975 121.385 120.400 0.016 0.000 2.542 142 K HA 0.327 4.647 4.320 -0.000 0.000 0.259 142 K C -1.282 175.317 176.600 -0.002 0.000 0.932 142 K CA -0.516 55.796 56.287 0.042 0.000 0.820 142 K CB 1.636 34.157 32.500 0.034 0.000 1.345 142 K HN 0.036 nan 8.250 nan 0.000 0.432 143 I N -0.368 120.175 120.570 -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 -0.123 0.000 1.103 143 I CA -0.889 60.317 61.300 -0.156 0.000 0.985 143 I CB 2.446 40.247 38.000 -0.332 0.000 1.240 143 I HN 0.561 nan 8.210 nan 0.000 0.464 144 N N 2.934 121.580 118.700 -0.091 0.000 2.571 144 N HA 0.439 5.179 4.740 -0.000 0.000 0.286 144 N C -1.843 173.653 175.510 -0.024 0.000 1.138 144 N CA -0.358 52.701 53.050 0.015 0.000 0.859 144 N CB 1.909 40.470 38.487 0.123 0.000 1.414 144 N HN 0.648 nan 8.380 nan 0.000 0.529 145 I N 3.932 124.487 120.570 -0.025 0.000 2.312 145 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 145 I C -2.087 174.031 176.117 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 0.570 177.860 177.300 -0.017 0.000 1.216 146 P CA -0.177 62.906 63.100 -0.027 0.000 0.776 146 P CB 0.666 32.337 31.700 -0.048 0.000 0.881 147 T N -1.631 112.911 114.554 -0.020 0.000 3.044 147 T HA 0.310 4.660 4.350 -0.000 0.000 0.260 147 T C 1.518 176.208 174.700 -0.017 0.000 1.019 147 T CA 0.335 62.420 62.100 -0.025 0.000 0.921 147 T CB -0.305 68.539 68.868 -0.039 0.000 1.053 147 T HN 0.223 nan 8.240 nan 0.000 0.533 148 A N 3.192 126.004 122.820 -0.013 0.000 1.859 148 A HA -0.157 4.163 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 1.859 53.891 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 -0.295 120.112 120.400 0.011 0.000 2.057 149 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 149 K C 1.916 178.547 176.600 0.052 0.000 1.050 149 K CA 1.591 57.899 56.287 0.034 0.000 0.935 149 K CB -0.438 32.091 32.500 0.047 0.000 0.715 149 K HN 0.753 nan 8.250 nan 0.000 0.439 150 I N 0.491 121.082 120.570 0.035 0.000 2.233 150 I HA -0.165 4.005 4.170 -0.000 0.000 0.243 150 I C 2.561 178.633 176.117 -0.075 0.000 1.093 150 I CA 1.094 62.400 61.300 0.011 0.000 1.380 150 I CB -0.931 37.029 38.000 -0.068 0.000 1.067 150 I HN 0.078 nan 8.210 nan 0.000 0.413 151 I N 1.181 121.719 120.570 -0.054 0.000 2.454 151 I HA -0.136 4.034 4.170 -0.000 0.000 0.254 151 I C 2.679 178.774 176.117 -0.038 0.000 1.156 151 I CA 1.486 62.790 61.300 0.007 0.000 1.433 151 I CB -0.466 37.587 38.000 0.090 0.000 1.082 151 I HN 0.149 nan 8.210 nan 0.000 0.432 152 A N 2.009 124.815 122.820 -0.024 0.000 1.828 152 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 152 A C 2.362 179.962 177.584 0.026 0.000 1.203 152 A CA 2.324 54.349 52.037 -0.020 0.000 0.614 152 A CB -0.890 18.112 19.000 0.004 0.000 0.844 152 A HN 0.457 nan 8.150 nan 0.000 0.445 153 K N 0.065 120.521 120.400 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 2.019 58.411 56.287 0.175 0.000 0.927 153 K CB -0.590 32.084 32.500 0.290 0.000 0.716 153 K HN 0.400 nan 8.250 nan 0.000 0.450 154 A N 0.524 123.430 122.820 0.144 0.000 1.873 154 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 154 A C 2.013 179.666 177.584 0.115 0.000 1.186 154 A CA 1.791 53.897 52.037 0.116 0.000 0.616 154 A CB -0.469 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 -0.444 119.964 120.400 0.013 0.000 2.063 155 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 155 K C 2.057 178.659 176.600 0.002 0.000 1.048 155 K CA 1.598 57.836 56.287 -0.082 0.000 0.928 155 K CB -0.138 32.196 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 0.663 177.317 176.600 0.090 0.000 1.007 156 E CA 1.117 57.550 56.400 0.054 0.000 0.845 156 E CB 0.327 30.068 29.700 0.067 0.000 0.766 156 E HN 0.191 nan 8.360 nan 0.000 0.507 157 V N -3.622 116.366 119.914 0.124 0.000 2.925 157 V HA 0.525 4.644 4.120 -0.000 0.000 0.361 157 V C 0.842 177.027 176.094 0.152 0.000 1.361 157 V CA 0.016 62.409 62.300 0.155 0.000 1.184 157 V CB 0.049 32.015 31.823 0.239 0.000 1.245 157 V HN 0.198 nan 8.190 nan 0.000 0.575 158 G N 1.133 110.006 108.800 0.122 0.000 2.270 158 G HA2 -0.315 3.644 3.960 -0.000 0.000 0.268 158 G HA3 -0.315 3.644 3.960 -0.000 0.000 0.268 158 G C 0.309 175.291 174.900 0.138 0.000 0.982 158 G CA 0.792 45.962 45.100 0.117 0.000 0.628 158 G HN 0.709 nan 8.290 nan 0.000 0.544 159 E N -0.186 120.115 120.200 0.170 0.000 2.368 159 E HA 0.395 4.745 4.350 -0.000 0.000 0.283 159 E C -0.598 176.059 176.600 0.095 0.000 1.476 159 E CA -0.377 56.122 56.400 0.165 0.000 1.786 159 E CB 0.084 29.971 29.700 0.311 0.000 1.518 159 E HN 0.567 nan 8.360 nan 0.000 0.456 160 Y N 0.580 120.858 120.300 -0.037 0.000 2.373 160 Y HA 0.320 4.870 4.550 -0.000 0.000 0.336 160 Y C -2.265 173.600 175.900 -0.059 0.000 0.979 160 Y CA -2.223 55.825 58.100 -0.087 0.000 1.080 160 Y CB 1.808 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 1.029 178.112 177.300 -0.362 0.000 1.381 161 P CA 0.444 63.084 63.100 -0.767 0.000 0.940 161 P CB 0.341 31.510 31.700 -0.885 0.000 1.435 162 T N -0.351 114.083 114.554 -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 1.051 63.087 62.100 -0.106 0.000 1.183 162 T CB -1.131 67.724 68.868 -0.021 0.000 0.863 162 T HN 0.045 nan 8.240 nan 0.000 0.418 163 L N -0.272 120.882 121.223 -0.116 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 1.098 55.826 54.840 -0.186 0.000 1.475 163 L CB -1.741 40.029 42.059 -0.483 0.000 2.877 163 L HN 0.906 nan 8.230 nan 0.000 1.176 164 G N -1.548 107.352 108.800 0.167 0.000 3.329 164 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.220 164 G C 0.903 175.956 174.900 0.255 0.000 1.358 164 G CA 1.488 46.701 45.100 0.189 0.000 0.856 164 G HN 0.845 nan 8.290 nan 0.000 0.551 165 S N 0.845 116.704 115.700 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 63.037 63.200 0.147 0.000 0.874 165 S HN 0.631 nan 8.310 nan 0.000 0.451 166 N N -0.497 118.303 118.700 0.167 0.000 2.236 166 N HA 0.111 4.851 4.740 -0.000 0.000 0.196 166 N C -1.041 174.452 175.510 -0.029 0.000 1.114 166 N CA 0.021 53.094 53.050 0.040 0.000 0.859 166 N CB 0.055 38.566 38.487 0.041 0.000 0.982 166 N HN 0.402 nan 8.380 nan 0.000 0.493 167 W N 2.207 123.595 121.300 0.145 0.000 2.338 167 W HA 0.367 5.027 4.660 -0.000 0.000 0.307 167 W C 0.560 177.125 176.519 0.077 0.000 1.167 167 W CA -0.364 57.042 57.345 0.103 0.000 1.208 167 W CB 0.970 30.445 29.460 0.025 0.000 1.228 167 W HN -0.165 nan 8.180 nan 0.000 0.499 168 T N 0.008 114.718 114.554 0.260 0.000 2.896 168 T HA 0.889 5.239 4.350 -0.000 0.000 0.297 168 T C -0.937 173.848 174.700 0.142 0.000 1.108 168 T CA -1.146 61.051 62.100 0.162 0.000 1.004 168 T CB 1.991 70.917 68.868 0.097 0.000 1.159 168 T HN 0.583 nan 8.240 nan 0.000 0.499 169 A N 1.760 124.639 122.820 0.099 0.000 2.381 169 A HA 0.771 5.091 4.320 -0.000 0.000 0.299 169 A C -0.376 177.235 177.584 0.045 0.000 1.049 169 A CA -0.885 51.194 52.037 0.069 0.000 0.715 169 A CB 1.069 20.100 19.000 0.051 0.000 1.222 169 A HN 1.069 nan 8.150 nan 0.000 0.428 170 E N 3.067 123.290 120.200 0.039 0.000 2.339 170 E HA 0.747 5.097 4.350 -0.000 0.000 0.262 170 E C -0.787 175.831 176.600 0.031 0.000 0.934 170 E CA -0.906 55.516 56.400 0.036 0.000 0.802 170 E CB 1.183 30.908 29.700 0.041 0.000 1.275 170 E HN 0.397 nan 8.360 nan 0.000 0.427 171 I N 0.581 121.181 120.570 0.049 0.000 3.223 171 I HA 0.166 4.336 4.170 -0.000 0.000 0.317 171 I C 0.996 177.154 176.117 0.068 0.000 1.050 171 I CA -0.763 60.576 61.300 0.066 0.000 1.069 171 I CB 1.194 39.284 38.000 0.149 0.000 1.406 171 I HN 0.602 nan 8.210 nan 0.000 0.596 172 S N 1.120 116.865 115.700 0.076 0.000 2.569 172 S HA 0.029 4.498 4.470 -0.000 0.000 0.274 172 S C 0.337 174.969 174.600 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 2.197 117.918 115.700 0.034 0.000 2.217 173 S HA 0.590 5.060 4.470 -0.000 0.000 0.168 173 S C -0.463 174.146 174.600 0.014 0.000 1.526 173 S CA -0.545 57.670 58.200 0.025 0.000 1.150 173 S CB -0.184 63.029 63.200 0.021 0.000 1.158 173 S HN 0.730 nan 8.310 nan 0.000 0.473 174 S N 0.808 116.514 115.700 0.011 0.000 2.638 174 S HA 0.789 5.259 4.470 -0.000 0.000 0.274 174 S C -0.091 174.516 174.600 0.012 0.000 1.157 174 S CA -0.588 57.623 58.200 0.018 0.000 0.826 174 S CB 0.845 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 1.166 175.727 174.600 -0.065 0.000 1.327 175 S CA 0.156 58.365 58.200 0.015 0.000 0.984 175 S CB 0.012 63.273 63.200 0.103 0.000 0.941 175 S HN 0.790 nan 8.310 nan 0.000 0.576 176 S N 1.017 116.675 115.700 -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 -2.152 118.678 121.223 -0.656 0.000 2.422 178 L HA 0.783 5.123 4.340 -0.000 0.000 0.263 178 L C 1.332 178.248 176.870 0.076 0.000 1.110 178 L CA -0.312 54.346 54.840 -0.303 0.000 1.065 178 L CB 1.092 43.071 42.059 -0.134 0.000 1.701 178 L HN 1.551 nan 8.230 nan 0.000 0.548 179 A N -1.127 121.780 122.820 0.146 0.000 3.661 179 A HA -0.141 4.179 4.320 -0.000 0.000 0.269 179 A C 0.739 178.433 177.584 0.184 0.000 1.056 179 A CA 0.893 53.028 52.037 0.163 0.000 1.159 179 A CB -2.575 16.497 19.000 0.120 0.000 1.105 179 A HN 1.790 nan 8.150 nan 0.000 0.907 180 A N -0.875 122.100 122.820 0.259 0.000 2.287 180 A HA 0.652 4.972 4.320 -0.000 0.000 0.273 180 A C 0.186 177.789 177.584 0.032 0.000 1.091 180 A CA 0.499 52.575 52.037 0.066 0.000 0.817 180 A CB 0.963 19.822 19.000 -0.235 0.000 1.069 180 A HN 1.444 nan 8.150 nan 0.000 0.492 181 V N 2.404 122.316 119.914 -0.004 0.000 2.568 181 V HA 0.242 4.362 4.120 -0.000 0.000 0.276 181 V C -0.753 175.347 176.094 0.010 0.000 1.002 181 V CA 0.055 62.363 62.300 0.013 0.000 0.879 181 V CB 0.751 32.591 31.823 0.028 0.000 1.040 181 V HN 0.699 nan 8.190 nan 0.000 0.457 182 I N 3.079 123.653 120.570 0.008 0.000 2.385 182 I HA 0.531 4.701 4.170 -0.000 0.000 0.294 182 I C 0.311 176.466 176.117 0.064 0.000 0.988 182 I CA -0.027 61.293 61.300 0.034 0.000 1.265 182 I CB 1.855 39.849 38.000 -0.010 0.000 1.388 182 I HN 0.415 nan 8.210 nan 0.000 0.480 183 T N 7.045 121.657 114.554 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 0.928 69.838 68.868 0.069 0.000 0.942 183 T HN 0.278 nan 8.240 nan 0.000 0.439 184 L N 3.120 124.413 121.223 0.117 0.000 2.276 184 L HA 0.607 4.947 4.340 -0.000 0.000 0.286 184 L C 1.163 178.082 176.870 0.083 0.000 1.061 184 L CA -0.412 54.500 54.840 0.120 0.000 0.807 184 L CB 1.019 43.155 42.059 0.129 0.000 1.177 184 L HN 0.777 nan 8.230 nan 0.000 0.429 185 G N 3.272 112.108 108.800 0.059 0.000 3.075 185 G HA2 0.398 4.358 3.960 -0.000 0.000 0.156 185 G HA3 0.398 4.358 3.960 -0.000 0.000 0.156 185 G C -0.441 174.430 174.900 -0.048 0.000 1.403 185 G CA -0.533 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 -0.491 119.863 120.400 -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 55.351 56.287 -0.156 0.000 0.922 186 K CB 1.469 33.877 32.500 -0.152 0.000 1.127 186 K HN 0.064 nan 8.250 nan 0.000 0.469 187 I N 2.882 123.292 120.570 -0.267 0.000 2.436 187 I HA 0.062 4.232 4.170 -0.000 0.000 0.289 187 I C 0.501 176.489 176.117 -0.215 0.000 1.083 187 I CA -0.235 60.914 61.300 -0.251 0.000 1.372 187 I CB -0.424 37.374 38.000 -0.338 0.000 1.408 187 I HN 0.477 nan 8.210 nan 0.000 0.516 188 I N 6.210 126.687 120.570 -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 -0.009 37.921 38.000 -0.116 0.000 1.392 188 I HN 0.607 nan 8.210 nan 0.000 0.545 189 T N -0.488 114.009 114.554 -0.095 0.000 3.023 189 T HA 0.052 4.402 4.350 -0.000 0.000 0.253 189 T C 0.419 175.101 174.700 -0.030 0.000 1.038 189 T CA -0.299 61.764 62.100 -0.061 0.000 0.962 189 T CB -0.056 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 2.728 123.110 120.400 -0.029 0.000 2.365 190 D HA 0.219 4.859 4.640 -0.000 0.000 0.237 190 D C 1.533 177.839 176.300 0.010 0.000 1.190 190 D CA -0.029 53.966 54.000 -0.009 0.000 0.867 190 D CB 1.431 42.227 40.800 -0.006 0.000 1.050 190 D HN 0.226 nan 8.370 nan 0.000 0.491 191 S N 2.996 118.705 115.700 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 1.023 59.248 58.200 0.041 0.000 0.991 191 S CB -0.556 62.658 63.200 0.023 0.000 0.792 191 S HN 0.931 nan 8.310 nan 0.000 0.488 192 G N 0.333 109.166 108.800 0.054 0.000 2.160 192 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.244 192 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.244 192 G C -0.326 174.553 174.900 -0.035 0.000 1.022 192 G CA 0.240 45.393 45.100 0.089 0.000 0.741 192 G HN 1.091 nan 8.290 nan 0.000 0.508 193 I N -0.772 119.700 120.570 -0.164 0.000 2.753 193 I HA 0.688 4.858 4.170 -0.000 0.000 0.291 193 I C -1.382 174.590 176.117 -0.243 0.000 1.425 193 I CA -1.159 59.920 61.300 -0.368 0.000 1.039 193 I CB 1.780 39.330 38.000 -0.749 0.000 1.349 193 I HN 0.254 nan 8.210 nan 0.000 0.430 194 L N 7.778 128.861 121.223 -0.234 0.000 2.439 194 L HA 0.621 4.961 4.340 -0.000 0.000 0.270 194 L C -1.749 174.999 176.870 -0.205 0.000 0.972 194 L CA -0.629 54.105 54.840 -0.177 0.000 0.836 194 L CB 1.464 43.456 42.059 -0.112 0.000 1.255 194 L HN 0.547 nan 8.230 nan 0.000 0.404 195 L N 5.198 126.285 121.223 -0.226 0.000 2.272 195 L HA 0.647 4.987 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 43.196 42.059 -0.409 0.000 1.205 195 L HN 0.793 nan 8.230 nan 0.000 0.422 196 A N 3.226 125.973 122.820 -0.122 0.000 2.336 196 A HA 0.427 4.747 4.320 -0.000 0.000 0.212 196 A C 0.322 177.895 177.584 -0.018 0.000 2.317 196 A CA -0.130 51.898 52.037 -0.014 0.000 1.564 196 A CB -0.069 18.959 19.000 0.048 0.000 1.096 196 A HN 0.612 nan 8.150 nan 0.000 0.441 197 E N -0.197 120.009 120.200 0.009 0.000 2.421 197 E HA 0.278 4.628 4.350 -0.000 0.000 0.253 197 E C 0.667 177.244 176.600 -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 1.062 121.625 120.570 -0.012 0.000 3.854 198 I HA -0.081 4.089 4.170 -0.000 0.000 0.312 198 I C 1.759 177.874 176.117 -0.003 0.000 1.273 198 I CA 0.541 61.828 61.300 -0.023 0.000 1.298 198 I CB -0.986 37.024 38.000 0.017 0.000 1.071 198 I HN 0.593 nan 8.210 nan 0.000 0.428 199 E N 1.399 121.600 120.200 0.000 0.000 2.160 199 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 199 E C 0.768 177.360 176.600 -0.013 0.000 0.991 199 E CA 1.348 57.747 56.400 -0.002 0.000 0.810 199 E CB -0.412 29.282 29.700 -0.010 0.000 0.742 199 E HN 0.416 nan 8.360 nan 0.000 0.466 200 N N 0.978 119.657 118.700 -0.034 0.000 2.254 200 N HA 0.189 4.929 4.740 -0.000 0.000 0.190 200 N C 1.323 176.789 175.510 -0.073 0.000 1.107 200 N CA 0.757 53.777 53.050 -0.051 0.000 0.869 200 N CB 0.277 38.722 38.487 -0.071 0.000 0.983 200 N HN 0.289 nan 8.380 nan 0.000 0.487 201 A N 2.439 125.206 122.820 -0.088 0.000 2.714 201 A HA -0.326 3.994 4.320 -0.000 0.000 0.243 201 A C 1.769 179.289 177.584 -0.107 0.000 1.409 201 A CA 2.684 54.624 52.037 -0.160 0.000 1.062 201 A CB -1.101 17.906 19.000 0.012 0.000 0.547 201 A HN 0.480 nan 8.150 nan 0.000 0.459 202 E N 0.447 120.717 120.200 0.115 0.000 2.516 202 E HA 0.376 4.726 4.350 -0.000 0.000 0.199 202 E C 1.339 177.990 176.600 0.086 0.000 1.069 202 E CA 1.183 57.697 56.400 0.190 0.000 0.876 202 E CB -0.815 29.042 29.700 0.262 0.000 0.843 202 E HN 0.664 nan 8.360 nan 0.000 0.530 203 A N 0.910 123.749 122.820 0.031 0.000 2.066 203 A HA 0.275 4.595 4.320 -0.000 0.000 0.218 203 A C 2.324 179.902 177.584 -0.011 0.000 1.157 203 A CA 1.175 53.222 52.037 0.017 0.000 0.670 203 A CB -0.385 18.616 19.000 0.002 0.000 0.804 203 A HN 0.395 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 0.935 52.900 52.037 -0.120 0.000 0.697 204 A CB -0.282 18.601 19.000 -0.195 0.000 0.827 204 A HN 0.361 nan 8.150 nan 0.000 0.457 205 M N 0.228 119.787 119.600 -0.068 0.000 2.630 205 M HA 0.012 4.492 4.480 -0.000 0.000 0.254 205 M C 0.102 176.545 176.300 0.238 0.000 1.092 205 M CA 1.045 56.379 55.300 0.057 0.000 1.087 205 M CB -0.871 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 0.284 114.927 114.554 0.149 0.000 3.624 206 T HA 0.498 4.848 4.350 -0.000 0.000 0.244 206 T C -0.101 174.665 174.700 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 1.320 124.226 122.820 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 0.502 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 0.617 120.568 119.914 0.061 0.000 2.277 208 V HA -0.316 3.804 4.120 -0.000 0.000 0.253 208 V C 1.539 177.657 176.094 0.041 0.000 1.067 208 V CA 2.583 64.907 62.300 0.039 0.000 1.047 208 V CB -1.072 30.763 31.823 0.020 0.000 0.649 208 V HN 0.821 nan 8.190 nan 0.000 0.447 209 D N -0.497 119.937 120.400 0.057 0.000 2.104 209 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 209 D C 1.913 178.275 176.300 0.102 0.000 0.994 209 D CA 2.031 56.067 54.000 0.059 0.000 0.830 209 D CB -0.226 40.608 40.800 0.057 0.000 0.959 209 D HN 0.577 nan 8.370 nan 0.000 0.452 210 F N 2.181 122.121 119.950 -0.016 0.000 2.031 210 F HA -0.167 4.360 4.527 -0.000 0.000 0.295 210 F C 2.482 178.273 175.800 -0.015 0.000 1.133 210 F CA 1.337 59.328 58.000 -0.016 0.000 1.188 210 F CB -0.500 38.487 39.000 -0.021 0.000 0.974 210 F HN -0.200 nan 8.300 nan 0.000 0.473 211 Q N 0.533 120.304 119.800 -0.048 0.000 2.308 211 Q HA -0.218 4.122 4.340 -0.000 0.000 0.209 211 Q C 2.339 178.240 176.000 -0.164 0.000 0.985 211 Q CA 1.300 57.008 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 1.593 124.348 122.820 -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 1.627 53.602 52.037 -0.103 0.000 0.617 212 A CB -0.698 18.262 19.000 -0.068 0.000 0.827 212 A HN 0.475 nan 8.150 nan 0.000 0.443 213 N N -0.130 118.486 118.700 -0.141 0.000 2.309 213 N HA -0.026 4.714 4.740 -0.000 0.000 0.182 213 N C 1.578 177.030 175.510 -0.098 0.000 1.018 213 N CA 0.928 53.935 53.050 -0.071 0.000 0.876 213 N CB -0.235 38.294 38.487 0.069 0.000 0.972 213 N HN 0.431 nan 8.380 nan 0.000 0.434 214 L N 1.132 122.190 121.223 -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 55.873 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 0.031 120.333 120.400 -0.162 0.000 2.044 215 K HA -0.120 4.200 4.320 -0.000 0.000 0.204 215 K C 2.143 178.663 176.600 -0.134 0.000 1.045 215 K CA 0.698 56.911 56.287 -0.123 0.000 0.951 215 K CB -0.030 32.406 32.500 -0.107 0.000 0.738 215 K HN 0.037 nan 8.250 nan 0.000 0.443 216 K N 0.262 120.529 120.400 -0.222 0.000 2.074 216 K HA -0.178 4.141 4.320 -0.000 0.000 0.209 216 K C 0.706 177.055 176.600 -0.419 0.000 1.048 216 K CA 1.636 57.675 56.287 -0.413 0.000 0.926 216 K CB 0.021 32.088 32.500 -0.722 0.000 0.713 216 K HN 0.170 nan 8.250 nan 0.000 0.444 217 Y N -0.177 120.127 120.300 0.006 0.000 2.658 217 Y HA 0.288 4.838 4.550 -0.000 0.000 0.276 217 Y C 0.675 176.580 175.900 0.008 0.000 1.167 217 Y CA -0.161 57.977 58.100 0.064 0.000 1.230 217 Y CB 0.697 39.187 38.460 0.050 0.000 1.144 217 Y HN 0.187 nan 8.280 nan 0.000 0.529 218 G N 2.298 111.125 108.800 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 0.040 174.863 174.900 -0.128 0.000 0.926 218 G CA 0.990 46.087 45.100 -0.005 0.000 1.211 218 G HN 0.592 nan 8.290 nan 0.000 0.496 219 I N -3.360 117.035 120.570 -0.293 0.000 3.145 219 I HA 0.817 4.987 4.170 -0.000 0.000 0.313 219 I C -2.672 172.996 176.117 -0.748 0.000 1.122 219 I CA -3.538 57.376 61.300 -0.642 0.000 0.987 219 I CB 2.172 39.862 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 -0.331 62.125 63.100 -1.073 0.000 0.807 220 P CB 0.746 31.264 31.700 -1.971 0.000 1.094 221 G N 0.225 108.818 108.800 -0.346 0.000 3.209 221 G HA2 0.392 4.352 3.960 -0.000 0.000 0.274 221 G HA3 0.392 4.352 3.960 -0.000 0.000 0.274 221 G C -0.681 174.199 174.900 -0.034 0.000 0.850 221 G CA -0.146 44.898 45.100 -0.094 0.000 1.907 221 G HN 0.289 nan 8.290 nan 0.000 0.591 222 V N 2.280 122.124 119.914 -0.118 0.000 2.378 222 V HA 0.574 4.694 4.120 -0.000 0.000 0.288 222 V C 0.166 176.247 176.094 -0.021 0.000 1.016 222 V CA -0.780 61.464 62.300 -0.094 0.000 0.840 222 V CB 1.201 32.931 31.823 -0.155 0.000 0.994 222 V HN 0.512 nan 8.190 nan 0.000 0.431 223 V N 2.033 121.943 119.914 -0.006 0.000 3.001 223 V HA 1.015 5.135 4.120 -0.000 0.000 0.314 223 V C 0.311 176.401 176.094 -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 33.664 31.823 -0.019 0.000 1.040 223 V HN 1.043 nan 8.190 nan 0.000 0.434 224 A N 1.637 124.467 122.820 0.017 0.000 2.483 224 A HA 0.456 4.776 4.320 -0.000 0.000 0.238 224 A C 0.810 178.335 177.584 -0.098 0.000 1.070 224 A CA 0.291 52.354 52.037 0.043 0.000 0.770 224 A CB 0.193 19.282 19.000 0.149 0.000 1.008 224 A HN 1.545 nan 8.150 nan 0.000 0.497 225 L N 1.563 122.663 121.223 -0.204 0.000 2.217 225 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 225 L C -0.337 176.098 176.870 -0.726 0.000 1.107 225 L CA 1.493 56.032 54.840 -0.502 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 -0.343 119.622 120.300 -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 -4.083 53.480 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 -0.125 177.163 177.300 -0.021 0.000 1.187 227 P CA 0.505 63.535 63.100 -0.116 0.000 0.766 227 P CB 0.592 32.235 31.700 -0.095 0.000 0.820 228 G N 2.080 110.952 108.800 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 0.754 121.058 120.200 0.174 0.000 2.401 229 E HA 0.017 4.367 4.350 -0.000 0.000 0.199 229 E C 2.475 179.134 176.600 0.099 0.000 1.023 229 E CA 0.510 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 -0.030 121.263 121.223 0.117 0.000 2.362 230 L HA -0.045 4.295 4.340 -0.000 0.000 0.219 230 L C 2.116 178.938 176.870 -0.079 0.000 1.134 230 L CA 0.868 55.649 54.840 -0.099 0.000 0.807 230 L CB -0.260 41.546 42.059 -0.422 0.000 0.927 230 L HN 0.299 nan 8.230 nan 0.000 0.447 231 G N -1.153 107.787 108.800 0.233 0.000 2.572 231 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.216 231 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.216 231 G C 0.977 175.966 174.900 0.149 0.000 1.133 231 G CA 0.204 45.486 45.100 0.303 0.000 0.791 231 G HN 0.286 nan 8.290 nan 0.000 0.538 232 D N 0.671 121.129 120.400 0.098 0.000 2.309 232 D HA -0.030 4.610 4.640 -0.000 0.000 0.212 232 D C 2.157 178.483 176.300 0.044 0.000 0.968 232 D CA 0.702 54.740 54.000 0.063 0.000 0.882 232 D CB 0.035 40.863 40.800 0.047 0.000 0.918 232 D HN 0.314 nan 8.370 nan 0.000 0.503 233 K N -0.184 120.233 120.400 0.029 0.000 2.459 233 K HA 0.136 4.456 4.320 -0.000 0.000 0.193 233 K C 0.700 177.320 176.600 0.035 0.000 1.030 233 K CA 0.076 56.371 56.287 0.014 0.000 1.026 233 K CB 0.639 33.126 32.500 -0.022 0.000 0.809 233 K HN 0.150 nan 8.250 nan 0.000 0.504 234 I N 1.473 122.083 120.570 0.066 0.000 2.519 234 I HA 0.056 4.226 4.170 -0.000 0.000 0.287 234 I C 0.139 176.295 176.117 0.065 0.000 1.047 234 I CA -0.036 61.312 61.300 0.081 0.000 1.381 234 I CB 0.896 38.976 38.000 0.133 0.000 1.417 234 I HN 0.072 nan 8.210 nan 0.000 0.540 235 E N 6.619 126.853 120.200 0.058 0.000 2.409 235 E HA 0.313 4.663 4.350 -0.000 0.000 0.259 235 E C -1.406 175.237 176.600 0.070 0.000 0.932 235 E CA -0.750 55.686 56.400 0.060 0.000 0.809 235 E CB 1.296 31.027 29.700 0.051 0.000 1.341 235 E HN 0.366 nan 8.360 nan 0.000 0.405 236 I N 2.999 123.616 120.570 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 0.224 61.583 61.300 0.099 0.000 1.406 236 I CB 0.929 38.978 38.000 0.082 0.000 1.405 236 I HN 0.435 nan 8.210 nan 0.000 0.548 237 E N 6.607 126.898 120.200 0.152 0.000 2.145 237 E HA 0.573 4.923 4.350 -0.000 0.000 0.270 237 E C -1.311 175.426 176.600 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 4.497 125.226 120.570 0.265 0.000 2.406 238 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 238 I C -0.851 175.461 176.117 0.324 0.000 0.999 238 I CA -1.045 60.460 61.300 0.342 0.000 1.124 238 I CB 1.860 40.119 38.000 0.432 0.000 1.289 238 I HN 0.275 nan 8.210 nan 0.000 0.441 239 V N 4.586 124.692 119.914 0.321 0.000 2.709 239 V HA 0.400 4.520 4.120 -0.000 0.000 0.308 239 V C 0.044 176.291 176.094 0.255 0.000 1.062 239 V CA -0.556 61.900 62.300 0.261 0.000 0.901 239 V CB 2.269 34.220 31.823 0.214 0.000 1.003 239 V HN 0.898 nan 8.190 nan 0.000 0.425 240 S N 3.253 119.078 115.700 0.207 0.000 2.693 240 S HA 0.387 4.857 4.470 -0.000 0.000 0.276 240 S C 0.979 175.496 174.600 -0.138 0.000 1.192 240 S CA -0.527 57.624 58.200 -0.082 0.000 0.994 240 S CB 1.300 64.476 63.200 -0.040 0.000 1.012 240 S HN 0.745 nan 8.310 nan 0.000 0.550 241 K N 0.071 120.289 120.400 -0.304 0.000 2.281 241 K HA -0.146 4.174 4.320 -0.000 0.000 0.203 241 K C 1.857 178.431 176.600 -0.042 0.000 1.046 241 K CA 1.182 57.353 56.287 -0.194 0.000 0.938 241 K CB -0.754 31.600 32.500 -0.243 0.000 0.737 241 K HN 0.702 nan 8.250 nan 0.000 0.458 242 A N 1.659 124.455 122.820 -0.041 0.000 1.821 242 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 242 A C 1.261 178.869 177.584 0.040 0.000 1.214 242 A CA 1.830 53.871 52.037 0.005 0.000 0.608 242 A CB -0.629 18.379 19.000 0.013 0.000 0.862 242 A HN 0.379 nan 8.150 nan 0.000 0.448 243 D N -1.861 118.573 120.400 0.056 0.000 2.338 243 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 243 D C 0.990 177.340 176.300 0.083 0.000 1.095 243 D CA 0.264 54.297 54.000 0.055 0.000 0.888 243 D CB -0.146 40.684 40.800 0.050 0.000 0.899 243 D HN 0.586 nan 8.370 nan 0.000 0.525 244 Y N 1.048 121.328 120.300 -0.032 0.000 2.314 244 Y HA 0.098 4.648 4.550 -0.000 0.000 0.294 244 Y C 2.182 178.067 175.900 -0.024 0.000 1.119 244 Y CA 0.932 59.011 58.100 -0.036 0.000 1.179 244 Y CB -0.117 38.292 38.460 -0.084 0.000 1.025 244 Y HN -0.000 nan 8.280 nan 0.000 0.541 245 A N 0.600 123.385 122.820 -0.060 0.000 1.873 245 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 245 A C 2.020 179.525 177.584 -0.132 0.000 1.186 245 A CA 1.611 53.571 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 0.184 120.541 120.400 -0.072 0.000 2.611 246 K HA 0.027 4.347 4.320 -0.000 0.000 0.193 246 K C 1.647 178.204 176.600 -0.071 0.000 1.026 246 K CA 0.282 56.535 56.287 -0.057 0.000 1.063 246 K CB -0.411 32.074 32.500 -0.026 0.000 0.839 246 K HN 0.501 nan 8.250 nan 0.000 0.505 247 G N 1.546 110.265 108.800 -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 0.086 122.863 122.820 -0.072 0.000 1.878 248 A HA 0.249 4.569 4.320 -0.000 0.000 0.213 248 A C 2.689 180.259 177.584 -0.024 0.000 1.192 248 A CA 1.902 53.914 52.037 -0.040 0.000 0.619 248 A CB -0.251 18.723 19.000 -0.044 0.000 0.837 248 A HN 0.312 nan 8.150 nan 0.000 0.446 249 S N 0.455 116.138 115.700 -0.027 0.000 2.388 249 S HA 0.291 4.761 4.470 -0.000 0.000 0.223 249 S C 1.318 175.911 174.600 -0.012 0.000 1.034 249 S CA 0.280 58.469 58.200 -0.018 0.000 0.963 249 S CB -0.602 62.587 63.200 -0.019 0.000 0.827 249 S HN 0.839 nan 8.310 nan 0.000 0.481 250 A N 2.128 124.941 122.820 -0.012 0.000 2.581 250 A HA 0.058 4.378 4.320 -0.000 0.000 0.257 250 A C 0.062 177.646 177.584 -0.001 0.000 1.022 250 A CA 0.502 52.536 52.037 -0.004 0.000 0.812 250 A CB -0.629 18.374 19.000 0.005 0.000 0.918 250 A HN 0.527 nan 8.150 nan 0.000 0.516 251 L N 4.830 126.048 121.223 -0.007 0.000 2.389 251 L HA 0.171 4.511 4.340 -0.000 0.000 0.265 251 L C -0.032 176.829 176.870 -0.015 0.000 1.167 251 L CA -0.396 54.438 54.840 -0.010 0.000 1.045 251 L CB -0.183 41.867 42.059 -0.015 0.000 1.351 251 L HN 0.620 nan 8.230 nan 0.000 0.419 252 L N 4.111 125.333 121.223 -0.002 0.000 2.578 252 L HA 0.028 4.368 4.340 -0.000 0.000 0.279 252 L C -2.001 174.855 176.870 -0.024 0.000 1.227 252 L CA -1.277 53.560 54.840 -0.004 0.000 0.900 252 L CB -0.192 41.888 42.059 0.034 0.000 1.144 252 L HN 0.251 nan 8.230 nan 0.000 0.496 253 P HA 0.376 nan 4.420 nan 0.000 0.282 253 P C -0.723 176.492 177.300 -0.141 0.000 1.259 253 P CA -0.449 62.559 63.100 -0.154 0.000 0.826 253 P CB 1.074 32.601 31.700 -0.288 0.000 1.064 254 I N 1.847 122.299 120.570 -0.198 0.000 2.355 254 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 254 I C -0.417 175.608 176.117 -0.154 0.000 0.999 254 I CA -0.717 60.538 61.300 -0.075 0.000 1.163 254 I CB 0.586 38.572 38.000 -0.023 0.000 1.316 254 I HN 0.273 nan 8.210 nan 0.000 0.454 255 Y N 7.365 127.693 120.300 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 56.209 58.100 0.043 0.000 1.150 255 Y CB 0.821 39.332 38.460 0.084 0.000 1.200 255 Y HN 0.421 nan 8.280 nan 0.000 0.472 256 P HA 0.092 nan 4.420 nan 0.000 0.264 256 P C 1.444 178.747 177.300 0.005 0.000 1.259 256 P CA 0.520 63.669 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 0.657 109.458 108.800 0.002 0.000 2.672 257 G HA2 0.109 4.069 3.960 -0.000 0.000 0.218 257 G HA3 0.109 4.069 3.960 -0.000 0.000 0.218 257 G C 0.814 175.689 174.900 -0.042 0.000 1.238 257 G CA 1.151 46.241 45.100 -0.016 0.000 0.791 257 G HN 0.628 nan 8.290 nan 0.000 0.606 258 G N -3.261 105.494 108.800 -0.075 0.000 2.325 258 G HA2 0.537 4.497 3.960 -0.000 0.000 0.285 258 G HA3 0.537 4.497 3.960 -0.000 0.000 0.285 258 G C 0.390 175.234 174.900 -0.093 0.000 1.303 258 G CA 0.358 45.397 45.100 -0.102 0.000 0.970 258 G HN 2.193 nan 8.290 nan 0.000 0.490 259 G N -1.984 106.765 108.800 -0.084 0.000 2.915 259 G HA2 0.452 4.412 3.960 -0.000 0.000 0.337 259 G HA3 0.452 4.412 3.960 -0.000 0.000 0.337 259 G C 0.421 175.275 174.900 -0.077 0.000 1.477 259 G CA 1.009 46.071 45.100 -0.065 0.000 0.916 259 G HN 2.805 nan 8.290 nan 0.000 0.550 260 T N -2.599 111.924 114.554 -0.053 0.000 2.773 260 T HA 0.854 5.204 4.350 -0.000 0.000 0.278 260 T C -0.202 174.485 174.700 -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 -0.204 120.290 120.500 -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 55.572 56.100 0.002 0.000 1.029 261 R CB 1.405 31.712 30.300 0.011 0.000 1.262 261 R HN 1.165 nan 8.270 nan 0.000 0.437 262 A N 2.931 125.756 122.820 0.008 0.000 2.584 262 A HA 0.092 4.412 4.320 -0.000 0.000 0.239 262 A C 0.601 178.200 177.584 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 0.759 nan 8.150 nan 0.000 0.511 263 S N 0.674 116.390 115.700 0.028 0.000 2.598 263 S HA 0.303 4.773 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 0.721 58.952 58.200 0.051 0.000 0.984 263 S CB 0.356 63.588 63.200 0.053 0.000 0.930 263 S HN 1.728 nan 8.310 nan 0.000 0.577 264 T N -1.640 112.967 114.554 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 62.869 62.100 0.088 0.000 0.882 264 T CB -0.666 68.250 68.868 0.080 0.000 1.208 264 T HN 0.749 nan 8.240 nan 0.000 0.561 265 A N 3.034 125.983 122.820 0.215 0.000 1.863 265 A HA -0.212 4.108 4.320 -0.000 0.000 0.218 265 A C 2.156 179.997 177.584 0.428 0.000 1.233 265 A CA 2.635 54.917 52.037 0.409 0.000 0.655 265 A CB -1.075 18.173 19.000 0.413 0.000 0.839 265 A HN 0.526 nan 8.150 nan 0.000 0.454 266 K N 0.160 120.605 120.400 0.075 0.000 2.360 266 K HA 0.073 4.393 4.320 -0.000 0.000 0.201 266 K C 1.191 177.821 176.600 0.051 0.000 1.046 266 K CA 1.347 57.575 56.287 -0.099 0.000 0.945 266 K CB -0.452 31.767 32.500 -0.468 0.000 0.750 266 K HN 0.407 nan 8.250 nan 0.000 0.464 267 A N -0.331 122.531 122.820 0.070 0.000 2.462 267 A HA 0.302 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 0.258 19.272 19.000 0.023 0.000 1.028 267 A HN 0.102 nan 8.150 nan 0.000 0.511 268 V N -2.282 117.679 119.914 0.079 0.000 3.157 268 V HA 0.256 4.376 4.120 -0.000 0.000 0.253 268 V C -0.392 175.593 176.094 -0.182 0.000 1.637 268 V CA 0.117 62.372 62.300 -0.075 0.000 1.058 268 V CB -0.028 31.705 31.823 -0.150 0.000 0.917 268 V HN 0.376 nan 8.190 nan 0.000 0.417 269 F N 0.569 120.601 119.950 0.137 0.000 2.443 269 F HA 0.703 5.230 4.527 -0.000 0.000 0.335 269 F C 1.305 177.210 175.800 0.176 0.000 1.104 269 F CA 0.289 58.387 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 1.371 110.370 108.800 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 -0.267 174.830 174.900 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 3.460 123.871 120.300 0.185 0.000 2.783 271 Y HA 0.400 4.950 4.550 -0.000 0.000 0.359 271 Y C 1.058 176.979 175.900 0.036 0.000 1.220 271 Y CA -0.622 57.547 58.100 0.114 0.000 1.649 271 Y CB -0.314 38.210 38.460 0.105 0.000 1.273 271 Y HN 0.187 nan 8.280 nan 0.000 0.506 272 G N 6.456 115.104 108.800 -0.253 0.000 2.616 272 G HA2 0.338 4.298 3.960 -0.000 0.000 0.268 272 G HA3 0.338 4.298 3.960 -0.000 0.000 0.268 272 G C -2.790 171.587 174.900 -0.872 0.000 1.213 272 G CA -1.717 42.972 45.100 -0.685 0.000 0.926 272 G HN 0.484 nan 8.290 nan 0.000 0.523 273 P HA 0.083 nan 4.420 nan 0.000 0.266 273 P C 0.390 177.385 177.300 -0.508 0.000 1.215 273 P CA -0.018 62.670 63.100 -0.687 0.000 0.763 273 P CB 1.104 32.409 31.700 -0.660 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 27.407 28.738 -0.251 0.000 0.901 274 Q HN 0.549 nan 8.270 nan 0.000 0.446 275 T N -0.598 113.846 114.554 -0.183 0.000 2.766 275 T HA 0.058 4.408 4.350 -0.000 0.000 0.295 275 T C 0.291 174.875 174.700 -0.193 0.000 1.024 275 T CA -0.094 61.917 62.100 -0.149 0.000 1.018 275 T CB 0.447 69.248 68.868 -0.112 0.000 1.002 275 T HN 0.024 nan 8.240 nan 0.000 0.532 276 D N 0.216 120.523 120.400 -0.155 0.000 2.312 276 D HA 0.017 4.657 4.640 -0.000 0.000 0.211 276 D C 1.548 177.705 176.300 -0.238 0.000 0.964 276 D CA 0.985 54.879 54.000 -0.177 0.000 0.877 276 D CB -0.082 40.659 40.800 -0.098 0.000 0.924 276 D HN 0.639 nan 8.370 nan 0.000 0.515 277 S N -0.685 114.908 115.700 -0.178 0.000 2.573 277 S HA 0.184 4.654 4.470 -0.000 0.000 0.244 277 S C 0.357 174.867 174.600 -0.150 0.000 0.984 277 S CA -0.623 57.513 58.200 -0.107 0.000 1.001 277 S CB 0.085 63.276 63.200 -0.016 0.000 0.788 277 S HN 0.070 nan 8.310 nan 0.000 0.456 278 Q N 0.539 120.131 119.800 -0.348 0.000 2.306 278 Q HA 0.585 4.925 4.340 -0.000 0.000 0.265 278 Q C -1.617 174.070 176.000 -0.522 0.000 1.022 278 Q CA -0.660 54.966 55.803 -0.296 0.000 0.853 278 Q CB 1.741 30.316 28.738 -0.271 0.000 1.327 278 Q HN 0.539 nan 8.270 nan 0.000 0.449 279 Y N -0.557 119.606 120.300 -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 -1.195 56.824 58.100 -0.136 0.000 1.033 279 Y CB 1.920 40.403 38.460 0.039 0.000 1.259 279 Y HN 0.656 nan 8.280 nan 0.000 0.461 280 A N 3.091 125.868 122.820 -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 -0.264 51.609 52.037 -0.274 0.000 0.850 280 A CB -0.335 18.376 19.000 -0.481 0.000 1.118 280 A HN 0.590 nan 8.150 nan 0.000 0.523 281 I N 2.876 123.537 120.570 0.152 0.000 2.406 281 I HA 0.406 4.576 4.170 -0.000 0.000 0.290 281 I C -0.384 175.934 176.117 0.334 0.000 0.999 281 I CA 0.133 61.595 61.300 0.269 0.000 1.124 281 I CB 1.718 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 6.801 127.538 120.570 0.279 0.000 2.448 282 I HA 0.331 4.501 4.170 -0.000 0.000 0.281 282 I C -0.777 175.418 176.117 0.130 0.000 1.027 282 I CA -0.725 60.704 61.300 0.215 0.000 1.111 282 I CB 1.531 39.662 38.000 0.218 0.000 1.236 282 I HN 0.138 nan 8.210 nan 0.000 0.452 283 V N 7.104 127.067 119.914 0.082 0.000 2.465 283 V HA 0.441 4.561 4.120 -0.000 0.000 0.279 283 V C 0.232 176.303 176.094 -0.037 0.000 1.045 283 V CA -0.336 61.983 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 3.733 124.224 120.500 -0.015 0.000 2.621 284 R HA 0.636 4.976 4.340 -0.000 0.000 0.292 284 R C -0.655 175.634 176.300 -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 0.629 nan 8.270 nan 0.000 0.450 285 R N 2.589 123.071 120.500 -0.031 0.000 2.435 285 R HA 0.190 4.530 4.340 -0.000 0.000 0.308 285 R C -0.846 175.451 176.300 -0.005 0.000 0.975 285 R CA -0.371 55.729 56.100 -0.001 0.000 0.867 285 R CB 0.598 30.915 30.300 0.028 0.000 1.171 285 R HN 0.681 nan 8.270 nan 0.000 0.470 286 N N 3.853 122.552 118.700 -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 54.615 53.050 -0.004 0.000 0.690 286 N CB -0.853 37.630 38.487 -0.007 0.000 0.991 286 N HN 0.957 nan 8.380 nan 0.000 0.552 287 D N -4.113 116.286 120.400 -0.002 0.000 2.837 287 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 287 D C 0.340 176.636 176.300 -0.007 0.000 1.033 287 D CA 1.727 55.726 54.000 -0.001 0.000 1.021 287 D CB -1.435 39.365 40.800 -0.000 0.000 1.101 287 D HN 0.754 nan 8.370 nan 0.000 0.431 288 A N 0.441 123.253 122.820 -0.014 0.000 2.366 288 A HA 0.525 4.845 4.320 -0.000 0.000 0.272 288 A C 0.544 178.102 177.584 -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 3.965 124.508 120.570 -0.044 0.000 2.268 289 I HA 0.024 4.194 4.170 -0.000 0.000 0.298 289 I C 1.351 177.411 176.117 -0.095 0.000 1.185 289 I CA 0.365 61.630 61.300 -0.058 0.000 1.548 289 I CB -0.016 37.953 38.000 -0.052 0.000 1.492 289 I HN 0.445 nan 8.210 nan 0.000 0.711 290 V N 3.228 123.046 119.914 -0.161 0.000 2.469 290 V HA -0.182 3.938 4.120 -0.000 0.000 0.251 290 V C 0.992 176.920 176.094 -0.277 0.000 1.064 290 V CA 1.656 63.778 62.300 -0.296 0.000 1.066 290 V CB -0.367 31.072 31.823 -0.639 0.000 0.667 290 V HN 0.878 nan 8.190 nan 0.000 0.461 291 Q N -0.767 118.923 119.800 -0.184 0.000 2.435 291 Q HA 0.489 4.828 4.340 -0.000 0.000 0.282 291 Q C -1.309 174.696 176.000 0.009 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 1.409 117.131 115.700 0.037 0.000 2.750 292 S HA 0.756 5.226 4.470 -0.000 0.000 0.276 292 S C -1.508 173.210 174.600 0.197 0.000 1.165 292 S CA -0.577 57.664 58.200 0.068 0.000 1.047 292 S CB 1.523 64.585 63.200 -0.231 0.000 1.056 292 S HN 0.575 nan 8.310 nan 0.000 0.481 293 V N 2.732 122.855 119.914 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 -0.077 0.000 1.060 293 V HN 0.894 nan 8.190 nan 0.000 0.437 294 V N 5.133 125.001 119.914 -0.076 0.000 2.444 294 V HA 0.595 4.715 4.120 -0.000 0.000 0.294 294 V C -0.440 175.505 176.094 -0.249 0.000 1.022 294 V CA -0.328 61.847 62.300 -0.207 0.000 0.850 294 V CB 1.455 33.131 31.823 -0.246 0.000 0.992 294 V HN 0.683 nan 8.190 nan 0.000 0.426 295 L N 2.949 124.029 121.223 -0.238 0.000 2.283 295 L HA 0.748 5.088 4.340 -0.000 0.000 0.259 295 L C -0.185 176.575 176.870 -0.184 0.000 1.027 295 L CA -0.569 54.105 54.840 -0.277 0.000 0.828 295 L CB 2.418 44.257 42.059 -0.366 0.000 1.380 295 L HN 0.620 nan 8.230 nan 0.000 0.425 296 S N -1.335 114.275 115.700 -0.150 0.000 2.536 296 S HA 0.383 4.853 4.470 -0.000 0.000 0.298 296 S C 0.419 174.999 174.600 -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 0.455 114.982 114.554 -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 0.055 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 1.711 122.142 120.400 0.053 0.000 2.339 298 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 298 K C -0.111 176.340 176.600 -0.247 0.000 0.986 298 K CA -0.854 55.374 56.287 -0.098 0.000 0.866 298 K CB 0.941 33.400 32.500 -0.069 0.000 1.103 298 K HN 0.173 nan 8.250 nan 0.000 0.441 299 R N 1.825 121.966 120.500 -0.598 0.000 2.758 299 R HA -0.017 4.323 4.340 -0.000 0.000 0.263 299 R C 1.016 177.165 176.300 -0.252 0.000 1.010 299 R CA 1.424 57.115 56.100 -0.681 0.000 1.114 299 R CB 0.173 30.088 30.300 -0.641 0.000 0.985 299 R HN 1.060 nan 8.270 nan 0.000 0.439 300 G N 1.064 109.782 108.800 -0.137 0.000 2.900 300 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.223 300 G C 0.594 175.483 174.900 -0.019 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 1.197 109.980 108.800 -0.028 0.000 2.257 301 G HA2 0.368 4.327 3.960 -0.000 0.000 0.235 301 G HA3 0.368 4.327 3.960 -0.000 0.000 0.235 301 G C 0.052 174.962 174.900 0.016 0.000 1.225 301 G CA 1.223 46.317 45.100 -0.009 0.000 0.878 301 G HN 0.810 nan 8.290 nan 0.000 0.505 302 K N 0.990 121.405 120.400 0.024 0.000 2.444 302 K HA 0.357 4.677 4.320 -0.000 0.000 0.252 302 K C -0.359 176.286 176.600 0.075 0.000 0.993 302 K CA -0.986 55.328 56.287 0.045 0.000 0.847 302 K CB 1.674 34.202 32.500 0.047 0.000 1.340 302 K HN 0.617 nan 8.250 nan 0.000 0.446 303 D N 0.460 120.920 120.400 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 -3.294 117.333 120.570 0.095 0.000 3.616 304 I HA 0.070 4.240 4.170 -0.000 0.000 0.306 304 I C -0.045 175.918 176.117 -0.256 0.000 1.232 304 I CA 0.109 61.358 61.300 -0.085 0.000 1.182 304 I CB -1.048 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 -0.048 120.207 120.300 -0.076 0.000 2.767 305 Y HA 0.186 4.736 4.550 -0.000 0.000 0.254 305 Y C 0.083 175.968 175.900 -0.026 0.000 1.133 305 Y CA -0.765 57.303 58.100 -0.053 0.000 1.225 305 Y CB 0.345 38.768 38.460 -0.061 0.000 1.312 305 Y HN 0.181 nan 8.280 nan 0.000 0.560 306 D N 0.370 120.833 120.400 0.105 0.000 2.911 306 D HA -0.174 4.466 4.640 -0.000 0.000 0.227 306 D C -0.456 175.890 176.300 0.077 0.000 1.164 306 D CA 1.148 55.189 54.000 0.069 0.000 0.782 306 D CB -1.132 39.693 40.800 0.042 0.000 1.094 306 D HN 0.094 nan 8.370 nan 0.000 0.425 307 S N 0.403 116.159 115.700 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 -0.759 57.481 58.200 0.068 0.000 1.058 307 S CB 0.859 64.087 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 0.042 53.135 53.050 0.073 0.000 0.936 308 N CB -0.198 38.340 38.487 0.085 0.000 1.274 308 N HN 0.713 nan 8.380 nan 0.000 0.489 309 I N 0.591 121.182 120.570 0.035 0.000 3.874 309 I HA 0.236 4.406 4.170 -0.000 0.000 0.331 309 I C -0.244 175.854 176.117 -0.032 0.000 1.489 309 I CA -0.921 60.343 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 2.440 122.700 120.300 -0.066 0.000 2.496 310 Y HA 0.268 4.817 4.550 -0.000 0.000 0.334 310 Y C 1.174 177.048 175.900 -0.043 0.000 1.080 310 Y CA -0.804 57.257 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 0.208 nan 8.280 nan 0.000 0.523 311 I N 3.816 124.098 120.570 -0.480 0.000 2.109 311 I HA -0.506 3.664 4.170 -0.000 0.000 0.233 311 I C 2.051 177.953 176.117 -0.359 0.000 1.005 311 I CA 2.136 63.213 61.300 -0.370 0.000 1.294 311 I CB -0.269 37.556 38.000 -0.291 0.000 1.005 311 I HN 0.674 nan 8.210 nan 0.000 0.392 312 D N 0.508 120.464 120.400 -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 1.780 55.550 54.000 -0.384 0.000 0.856 312 D CB -0.266 40.334 40.800 -0.334 0.000 0.934 312 D HN 0.454 nan 8.370 nan 0.000 0.453 313 D N -0.311 119.979 120.400 -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 0.099 54.095 54.000 -0.008 0.000 0.853 313 D CB -0.680 40.189 40.800 0.115 0.000 1.007 313 D HN 0.143 nan 8.370 nan 0.000 0.469 314 F N 1.277 121.079 119.950 -0.247 0.000 2.063 314 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 314 F C 1.941 177.502 175.800 -0.400 0.000 1.105 314 F CA 1.635 59.416 58.000 -0.365 0.000 1.215 314 F CB -0.554 38.102 39.000 -0.574 0.000 0.972 314 F HN -0.129 nan 8.300 nan 0.000 0.483 315 F N 0.262 120.010 119.950 -0.336 0.000 2.367 315 F HA 0.109 4.636 4.527 -0.000 0.000 0.298 315 F C 2.524 178.119 175.800 -0.341 0.000 1.094 315 F CA 0.830 58.505 58.000 -0.543 0.000 1.409 315 F CB -1.453 36.997 39.000 -0.916 0.000 1.064 315 F HN 0.072 nan 8.300 nan 0.000 0.528 316 A N -0.041 122.742 122.820 -0.062 0.000 2.131 316 A HA -0.145 4.175 4.320 -0.000 0.000 0.220 316 A C 1.009 178.621 177.584 0.046 0.000 1.158 316 A CA 1.126 53.207 52.037 0.074 0.000 0.665 316 A CB -0.672 18.365 19.000 0.061 0.000 0.795 316 A HN 0.339 nan 8.150 nan 0.000 0.460 317 K N -0.823 119.543 120.400 -0.057 0.000 2.679 317 K HA 0.405 4.725 4.320 -0.000 0.000 0.188 317 K C 0.482 177.002 176.600 -0.134 0.000 1.055 317 K CA -0.000 56.247 56.287 -0.067 0.000 1.006 317 K CB 0.595 33.055 32.500 -0.066 0.000 1.317 317 K HN 0.320 nan 8.250 nan 0.000 0.584 318 G N 1.442 110.201 108.800 -0.069 0.000 2.449 318 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.304 318 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.304 318 G C 0.905 175.679 174.900 -0.210 0.000 0.962 318 G CA 0.668 45.721 45.100 -0.079 0.000 0.943 318 G HN 0.734 nan 8.290 nan 0.000 0.514 319 G N -1.154 107.375 108.800 -0.452 0.000 2.432 319 G HA2 0.247 4.207 3.960 -0.000 0.000 0.219 319 G HA3 0.247 4.207 3.960 -0.000 0.000 0.219 319 G C 0.728 175.272 174.900 -0.593 0.000 1.135 319 G CA 1.416 45.891 45.100 -1.042 0.000 0.767 319 G HN 1.279 nan 8.290 nan 0.000 0.550 320 S N -1.452 114.158 115.700 -0.150 0.000 2.566 320 S HA 0.346 4.816 4.470 -0.000 0.000 0.273 320 S C 0.286 174.982 174.600 0.161 0.000 1.157 320 S CA -0.584 57.708 58.200 0.153 0.000 0.938 320 S CB 1.773 65.236 63.200 0.439 0.000 1.087 320 S HN 0.246 nan 8.310 nan 0.000 0.474 321 E N 2.126 122.442 120.200 0.192 0.000 2.347 321 E HA -0.045 4.305 4.350 -0.000 0.000 0.196 321 E C 0.158 176.667 176.600 -0.152 0.000 1.008 321 E CA 1.027 57.420 56.400 -0.012 0.000 0.852 321 E CB 0.175 29.797 29.700 -0.131 0.000 0.783 321 E HN 0.767 nan 8.360 nan 0.000 0.505 322 Y N -0.382 119.972 120.300 0.091 0.000 2.506 322 Y HA 0.204 4.754 4.550 -0.000 0.000 0.287 322 Y C 1.425 177.349 175.900 0.040 0.000 1.147 322 Y CA -0.340 57.828 58.100 0.114 0.000 1.241 322 Y CB 0.544 39.092 38.460 0.147 0.000 1.279 322 Y HN -0.066 nan 8.280 nan 0.000 0.527 323 I N -3.661 117.048 120.570 0.232 0.000 3.264 323 I HA 0.649 4.819 4.170 -0.000 0.000 0.309 323 I C -1.635 174.445 176.117 -0.060 0.000 1.099 323 I CA -1.081 60.265 61.300 0.077 0.000 0.989 323 I CB 2.872 40.922 38.000 0.084 0.000 1.250 323 I HN -0.059 nan 8.210 nan 0.000 0.478 324 F N 1.123 120.782 119.950 -0.484 0.000 2.622 324 F HA 0.778 5.305 4.527 -0.000 0.000 0.318 324 F C -0.897 174.446 175.800 -0.761 0.000 1.135 324 F CA -0.153 57.383 58.000 -0.774 0.000 1.015 324 F CB 1.805 40.572 39.000 -0.388 0.000 1.275 324 F HN 0.918 nan 8.300 nan 0.000 0.457 325 A N 2.598 124.673 122.820 -1.241 0.000 2.524 325 A HA 0.887 5.207 4.320 -0.000 0.000 0.286 325 A C -1.231 176.254 177.584 -0.166 0.000 1.203 325 A CA -0.664 51.112 52.037 -0.435 0.000 0.736 325 A CB 1.969 20.843 19.000 -0.210 0.000 1.322 325 A HN 0.723 nan 8.150 nan 0.000 0.424 326 T N -1.103 113.493 114.554 0.071 0.000 3.032 326 T HA 0.518 4.868 4.350 -0.000 0.000 0.312 326 T C 0.659 175.464 174.700 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 1.726 nan 8.240 nan 0.000 0.457 327 A N 3.346 126.210 122.820 0.073 0.000 2.125 327 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 327 A C 1.195 178.897 177.584 0.196 0.000 1.156 327 A CA 0.906 53.008 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 0.219 120.116 119.800 0.162 0.000 2.274 328 Q HA 0.078 4.418 4.340 -0.000 0.000 0.280 328 Q C 0.025 176.084 176.000 0.098 0.000 1.047 328 Q CA 0.459 56.338 55.803 0.127 0.000 0.907 328 Q CB 0.043 28.847 28.738 0.110 0.000 1.171 328 Q HN 0.472 nan 8.270 nan 0.000 0.381 329 N N 1.971 120.717 118.700 0.078 0.000 2.713 329 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 329 N C -1.387 174.132 175.510 0.015 0.000 1.117 329 N CA 0.849 53.914 53.050 0.024 0.000 0.770 329 N CB -1.022 37.438 38.487 -0.046 0.000 1.137 329 N HN 0.675 nan 8.380 nan 0.000 0.566 330 W N 2.879 124.105 121.300 -0.124 0.000 2.489 330 W HA 0.166 4.826 4.660 -0.000 0.000 0.327 330 W C -2.020 174.411 176.519 -0.147 0.000 1.436 330 W CA -1.158 56.065 57.345 -0.204 0.000 1.315 330 W CB -0.130 29.200 29.460 -0.217 0.000 1.373 330 W HN 0.035 nan 8.180 nan 0.000 0.557 331 P HA -0.064 nan 4.420 nan 0.000 0.264 331 P C -0.453 177.041 177.300 0.323 0.000 1.193 331 P CA 0.723 63.881 63.100 0.097 0.000 0.763 331 P CB 0.452 32.196 31.700 0.073 0.000 0.810 332 E N 1.883 122.253 120.200 0.284 0.000 2.414 332 E HA 0.180 4.530 4.350 -0.000 0.000 0.263 332 E C 1.271 178.094 176.600 0.372 0.000 1.000 332 E CA 0.598 57.198 56.400 0.333 0.000 0.914 332 E CB -0.058 29.767 29.700 0.208 0.000 0.948 332 E HN 0.758 nan 8.360 nan 0.000 0.444 333 G N 3.632 112.732 108.800 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 0.367 45.711 45.100 0.406 0.000 0.729 333 G HN 0.576 nan 8.290 nan 0.000 0.517 334 F N 1.728 121.902 119.950 0.373 0.000 2.572 334 F HA 0.477 5.004 4.527 -0.000 0.000 0.370 334 F C 0.459 176.409 175.800 0.249 0.000 1.103 334 F CA 0.778 58.884 58.000 0.175 0.000 1.286 334 F CB 0.750 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 3.288 118.682 115.700 -0.510 0.000 2.548 335 S HA 0.838 5.308 4.470 -0.000 0.000 0.276 335 S C -0.292 173.965 174.600 -0.572 0.000 1.129 335 S CA -0.226 57.817 58.200 -0.261 0.000 0.931 335 S CB 1.551 64.745 63.200 -0.011 0.000 1.068 335 S HN 1.232 nan 8.310 nan 0.000 0.480 336 G N 1.451 110.136 108.800 -0.192 0.000 2.321 336 G HA2 0.418 4.378 3.960 -0.000 0.000 0.296 336 G HA3 0.418 4.378 3.960 -0.000 0.000 0.296 336 G C -2.348 172.688 174.900 0.227 0.000 1.287 336 G CA -0.697 44.416 45.100 0.021 0.000 0.846 336 G HN 0.494 nan 8.290 nan 0.000 0.508 337 I N 1.334 122.067 120.570 0.271 0.000 2.355 337 I HA 0.429 4.599 4.170 -0.000 0.000 0.288 337 I C 0.109 176.391 176.117 0.275 0.000 0.999 337 I CA -0.733 60.700 61.300 0.222 0.000 1.163 337 I CB 0.836 38.918 38.000 0.136 0.000 1.316 337 I HN 0.322 nan 8.210 nan 0.000 0.454 338 L N 5.761 127.103 121.223 0.197 0.000 2.292 338 L HA 0.389 4.729 4.340 -0.000 0.000 0.284 338 L C 0.341 177.270 176.870 0.098 0.000 1.065 338 L CA -0.165 54.755 54.840 0.133 0.000 0.806 338 L CB 1.173 43.244 42.059 0.020 0.000 1.175 338 L HN 0.521 nan 8.230 nan 0.000 0.431 339 T N 4.853 119.462 114.554 0.092 0.000 2.874 339 T HA 0.424 4.774 4.350 -0.000 0.000 0.321 339 T C 0.081 174.810 174.700 0.048 0.000 1.075 339 T CA -0.464 61.676 62.100 0.066 0.000 0.966 339 T CB 0.313 69.218 68.868 0.062 0.000 1.001 339 T HN 0.278 nan 8.240 nan 0.000 0.476 340 L N 3.814 125.066 121.223 0.048 0.000 2.416 340 L HA 0.558 4.898 4.340 -0.000 0.000 0.272 340 L C 0.775 177.673 176.870 0.046 0.000 1.161 340 L CA -0.144 54.724 54.840 0.048 0.000 0.845 340 L CB 0.458 42.555 42.059 0.063 0.000 1.119 340 L HN 0.738 nan 8.230 nan 0.000 0.464 341 S N -0.119 115.605 115.700 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 -0.210 58.013 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 -0.044 108.778 108.800 0.037 0.000 2.196 342 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.268 342 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.268 342 G C 0.836 175.758 174.900 0.037 0.000 0.975 342 G CA 0.583 45.702 45.100 0.032 0.000 0.648 342 G HN 1.782 nan 8.290 nan 0.000 0.538 343 G N -0.528 108.302 108.800 0.051 0.000 2.391 343 G HA2 0.459 4.419 3.960 -0.000 0.000 0.234 343 G HA3 0.459 4.419 3.960 -0.000 0.000 0.234 343 G C -0.131 174.808 174.900 0.065 0.000 1.284 343 G CA 0.435 45.576 45.100 0.068 0.000 0.873 343 G HN 1.092 nan 8.290 nan 0.000 0.549 344 L N 2.877 124.135 121.223 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 1.064 43.139 42.059 0.027 0.000 1.185 344 L HN 0.707 nan 8.230 nan 0.000 0.457 345 S N 2.520 118.257 115.700 0.061 0.000 2.474 345 S HA 0.495 4.965 4.470 -0.000 0.000 0.276 345 S C 0.206 174.820 174.600 0.022 0.000 1.227 345 S CA -0.147 58.076 58.200 0.038 0.000 1.050 345 S CB 0.978 64.221 63.200 0.071 0.000 0.939 345 S HN 0.708 nan 8.310 nan 0.000 0.490 346 S N 3.772 119.473 115.700 0.002 0.000 2.498 346 S HA 0.386 4.856 4.470 -0.000 0.000 0.324 346 S C 0.497 175.082 174.600 -0.025 0.000 1.071 346 S CA -1.005 57.193 58.200 -0.004 0.000 1.113 346 S CB 0.657 63.856 63.200 -0.001 0.000 0.976 346 S HN 0.783 nan 8.310 nan 0.000 0.462 347 N N 3.132 121.814 118.700 -0.031 0.000 2.415 347 N HA 0.008 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 0.824 53.839 53.050 -0.058 0.000 0.902 347 N CB -0.669 37.775 38.487 -0.072 0.000 0.986 347 N HN 0.746 nan 8.380 nan 0.000 0.447 348 A N 2.005 124.817 122.820 -0.013 0.000 1.865 348 A HA -0.274 4.046 4.320 -0.000 0.000 0.244 348 A C 0.647 178.230 177.584 -0.003 0.000 1.984 348 A CA 2.291 54.327 52.037 -0.003 0.000 0.785 348 A CB -0.748 18.253 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 0.932 30.636 29.700 0.006 0.000 1.329 349 E HN 0.056 nan 8.360 nan 0.000 0.409 350 V N 2.265 122.169 119.914 -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 1.126 32.903 31.823 -0.078 0.000 1.025 350 V HN 0.715 nan 8.190 nan 0.000 0.475 351 T N 4.776 119.345 114.554 0.025 0.000 2.903 351 T HA 0.272 4.622 4.350 -0.000 0.000 0.314 351 T C 1.519 176.254 174.700 0.059 0.000 1.078 351 T CA 0.318 62.442 62.100 0.040 0.000 1.114 351 T CB 1.137 70.030 68.868 0.042 0.000 0.987 351 T HN 0.852 nan 8.240 nan 0.000 0.548 352 A N 4.277 127.141 122.820 0.073 0.000 1.884 352 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 352 A C 2.521 180.181 177.584 0.127 0.000 1.197 352 A CA 2.577 54.678 52.037 0.106 0.000 0.637 352 A CB -1.680 17.385 19.000 0.108 0.000 0.827 352 A HN 1.106 nan 8.150 nan 0.000 0.450 353 G N -0.228 108.633 108.800 0.102 0.000 2.440 353 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.218 353 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.218 353 G C 0.993 175.978 174.900 0.141 0.000 1.154 353 G CA 1.396 46.560 45.100 0.107 0.000 0.767 353 G HN 0.567 nan 8.290 nan 0.000 0.552 354 D N 0.162 120.634 120.400 0.121 0.000 2.228 354 D HA -0.081 4.559 4.640 -0.000 0.000 0.203 354 D C 2.361 178.752 176.300 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 -0.534 120.762 121.223 0.121 0.000 2.095 355 L HA -0.029 4.311 4.340 -0.000 0.000 0.204 355 L C 2.226 179.270 176.870 0.290 0.000 1.080 355 L CA 0.726 55.631 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 -0.844 118.987 119.600 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 1.568 57.196 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 0.449 120.861 120.200 0.354 0.000 2.118 357 E HA -0.215 4.135 4.350 -0.000 0.000 0.195 357 E C 2.085 178.997 176.600 0.521 0.000 0.992 357 E CA 1.387 58.005 56.400 0.364 0.000 0.804 357 E CB -0.099 29.766 29.700 0.276 0.000 0.741 357 E HN 0.543 nan 8.360 nan 0.000 0.458 358 A N 0.623 123.699 122.820 0.427 0.000 1.832 358 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 358 A C 1.813 179.538 177.584 0.235 0.000 1.200 358 A CA 1.142 53.268 52.037 0.149 0.000 0.610 358 A CB -1.286 17.529 19.000 -0.309 0.000 0.842 358 A HN 0.397 nan 8.150 nan 0.000 0.444 359 W N 0.507 121.981 121.300 0.291 0.000 2.308 359 W HA -0.244 4.416 4.660 -0.000 0.000 0.301 359 W C 1.603 178.402 176.519 0.466 0.000 1.220 359 W CA 1.134 58.724 57.345 0.409 0.000 1.240 359 W CB -0.265 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 -0.686 120.093 120.400 0.633 0.000 2.271 360 D HA -0.192 4.448 4.640 -0.000 0.000 0.207 360 D C 1.532 178.030 176.300 0.331 0.000 0.983 360 D CA 1.167 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 -0.958 119.000 119.950 0.014 0.000 2.583 361 F HA -0.097 4.430 4.527 -0.000 0.000 0.297 361 F C 1.175 176.772 175.800 -0.337 0.000 1.131 361 F CA 0.379 58.233 58.000 -0.244 0.000 1.467 361 F CB -0.081 38.643 39.000 -0.460 0.000 1.097 361 F HN -0.034 nan 8.300 nan 0.000 0.586 362 F N -1.417 118.736 119.950 0.339 0.000 2.682 362 F HA 0.318 4.844 4.527 -0.000 0.000 0.308 362 F C 1.652 177.609 175.800 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 0.736 123.755 122.820 0.332 0.000 2.416 363 A HA 0.272 4.592 4.320 -0.000 0.000 0.252 363 A C -0.654 177.001 177.584 0.119 0.000 1.353 363 A CA 0.077 52.241 52.037 0.211 0.000 0.996 363 A CB -1.397 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 0.258 4.898 4.640 -0.000 0.000 0.222 364 D C 0.240 176.591 176.300 0.085 0.000 1.360 364 D CA -0.701 53.343 54.000 0.074 0.000 0.967 364 D CB 0.274 41.096 40.800 0.037 0.000 1.456 364 D HN 0.025 nan 8.370 nan 0.000 0.588 365 R N 0.978 121.521 120.500 0.073 0.000 2.200 365 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 365 R C 1.229 177.565 176.300 0.060 0.000 1.127 365 R CA 1.266 57.411 56.100 0.075 0.000 0.989 365 R CB -0.104 30.230 30.300 0.056 0.000 0.869 365 R HN 0.556 nan 8.270 nan 0.000 0.459 366 E N -0.039 120.187 120.200 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 0.342 nan 8.360 nan 0.000 0.458 367 S N -0.114 115.613 115.700 0.046 0.000 2.444 367 S HA 0.039 4.509 4.470 -0.000 0.000 0.223 367 S C 0.705 175.347 174.600 0.071 0.000 1.054 367 S CA 0.232 58.459 58.200 0.045 0.000 0.947 367 S CB 0.456 63.672 63.200 0.027 0.000 0.850 367 S HN 0.123 nan 8.310 nan 0.000 0.527 368 V N 2.312 122.292 119.914 0.110 0.000 2.444 368 V HA 0.498 4.618 4.120 -0.000 0.000 0.294 368 V C -1.479 174.712 176.094 0.162 0.000 1.022 368 V CA -1.297 61.092 62.300 0.148 0.000 0.850 368 V CB 1.525 33.479 31.823 0.219 0.000 0.992 368 V HN 0.327 nan 8.190 nan 0.000 0.426 369 D N 4.771 125.247 120.400 0.127 0.000 2.435 369 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 369 D C 0.219 176.589 176.300 0.117 0.000 1.215 369 D CA -0.112 53.957 54.000 0.115 0.000 0.947 369 D CB 1.398 42.250 40.800 0.087 0.000 1.048 369 D HN 0.717 nan 8.370 nan 0.000 0.512 370 V N -0.373 119.624 119.914 0.137 0.000 2.444 370 V HA 0.278 4.398 4.120 -0.000 0.000 0.294 370 V C 0.552 176.717 176.094 0.119 0.000 1.022 370 V CA -0.789 61.558 62.300 0.079 0.000 0.850 370 V CB 1.683 33.489 31.823 -0.028 0.000 0.992 370 V HN 0.051 nan 8.190 nan 0.000 0.426 371 Q N 3.926 123.782 119.800 0.093 0.000 2.123 371 Q HA 0.395 4.735 4.340 -0.000 0.000 0.196 371 Q C 0.206 176.306 176.000 0.167 0.000 0.958 371 Q CA 1.433 57.312 55.803 0.127 0.000 0.841 371 Q CB 0.002 28.800 28.738 0.100 0.000 0.915 371 Q HN 0.849 nan 8.270 nan 0.000 0.455 372 L N -0.941 120.352 121.223 0.117 0.000 2.319 372 L HA 0.488 4.828 4.340 -0.000 0.000 0.267 372 L C -0.956 175.967 176.870 0.088 0.000 1.011 372 L CA -0.741 54.186 54.840 0.145 0.000 0.818 372 L CB 1.511 43.636 42.059 0.111 0.000 1.316 372 L HN -0.044 nan 8.230 nan 0.000 0.432 373 F N 1.745 121.645 119.950 -0.083 0.000 2.610 373 F HA 0.447 4.974 4.527 -0.000 0.000 0.355 373 F C -0.064 175.662 175.800 -0.124 0.000 1.140 373 F CA -0.390 57.517 58.000 -0.155 0.000 1.037 373 F CB 1.285 40.154 39.000 -0.218 0.000 1.287 373 F HN 0.186 nan 8.300 nan 0.000 0.457 374 I N 3.947 124.507 120.570 -0.017 0.000 2.436 374 I HA 0.169 4.339 4.170 -0.000 0.000 0.289 374 I C 0.774 176.956 176.117 0.109 0.000 1.083 374 I CA 0.455 61.782 61.300 0.045 0.000 1.372 374 I CB 1.079 39.081 38.000 0.003 0.000 1.408 374 I HN 0.784 nan 8.210 nan 0.000 0.516 375 A N 4.878 127.723 122.820 0.042 0.000 2.009 375 A HA 0.241 4.561 4.320 -0.000 0.000 0.197 375 A C 2.072 179.689 177.584 0.057 0.000 1.471 375 A CA 0.560 52.590 52.037 -0.011 0.000 0.973 375 A CB -0.399 18.520 19.000 -0.134 0.000 1.020 375 A HN 0.712 nan 8.150 nan 0.000 0.476 376 G N 1.223 110.047 108.800 0.040 0.000 2.527 376 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 376 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 376 G C 1.550 176.500 174.900 0.083 0.000 1.117 376 G CA 1.598 46.733 45.100 0.059 0.000 0.759 376 G HN 0.889 nan 8.290 nan 0.000 0.556 377 S N -0.603 115.128 115.700 0.052 0.000 2.488 377 S HA -0.154 4.316 4.470 -0.000 0.000 0.246 377 S C 1.749 176.185 174.600 -0.273 0.000 0.992 377 S CA 1.119 59.252 58.200 -0.112 0.000 0.963 377 S CB -0.714 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 1.328 120.612 119.300 -0.026 0.000 2.791 378 C HA 0.658 5.118 4.460 -0.000 0.000 0.270 378 C C 2.790 177.769 174.990 -0.020 0.000 1.257 378 C CA -0.628 58.401 59.018 0.018 0.000 1.699 378 C CB -1.657 26.182 27.740 0.165 0.000 1.904 378 C HN 0.720 nan 8.230 nan 0.000 0.603 379 A N 1.947 124.752 122.820 -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 -1.144 17.819 19.000 -0.062 0.000 0.821 379 A HN 0.566 nan 8.150 nan 0.000 0.457 380 G N -1.053 107.615 108.800 -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 -0.030 0.000 2.455 381 E HA 0.254 4.604 4.350 -0.000 0.000 0.259 381 E C 0.575 177.184 176.600 0.015 0.000 1.245 381 E CA -0.117 56.299 56.400 0.026 0.000 1.013 381 E CB 0.318 30.069 29.700 0.085 0.000 0.978 381 E HN 0.144 nan 8.360 nan 0.000 0.479 382 S N 2.491 118.212 115.700 0.034 0.000 2.784 382 S HA -0.136 4.334 4.470 -0.000 0.000 0.322 382 S C 1.498 176.122 174.600 0.040 0.000 1.234 382 S CA -0.105 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 3.203 124.442 121.223 0.027 0.000 2.058 383 L HA -0.340 4.000 4.340 -0.000 0.000 0.226 383 L C 2.336 179.261 176.870 0.091 0.000 1.089 383 L CA 2.177 57.038 54.840 0.034 0.000 0.799 383 L CB -0.649 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 -0.965 119.297 120.200 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 29.201 29.700 0.098 0.000 0.785 384 E HN 0.554 nan 8.360 nan 0.000 0.476 385 T N 0.064 114.686 114.554 0.115 0.000 2.778 385 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 385 T C 1.866 176.653 174.700 0.144 0.000 1.050 385 T CA 1.582 63.760 62.100 0.129 0.000 1.137 385 T CB -0.296 68.641 68.868 0.115 0.000 0.860 385 T HN 0.312 nan 8.240 nan 0.000 0.468 386 A N 0.558 123.446 122.820 0.114 0.000 1.927 386 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 386 A C 2.691 180.374 177.584 0.165 0.000 1.185 386 A CA 2.649 54.742 52.037 0.094 0.000 0.639 386 A CB -0.977 18.029 19.000 0.010 0.000 0.820 386 A HN 0.629 nan 8.150 nan 0.000 0.451 387 S N -1.342 114.507 115.700 0.249 0.000 2.341 387 S HA -0.092 4.378 4.470 -0.000 0.000 0.216 387 S C 2.240 177.008 174.600 0.280 0.000 1.034 387 S CA 1.521 59.953 58.200 0.388 0.000 0.964 387 S CB -0.777 62.736 63.200 0.521 0.000 0.882 387 S HN 0.823 nan 8.310 nan 0.000 0.469 388 T N 2.014 116.703 114.554 0.224 0.000 2.881 388 T HA -0.044 4.306 4.350 -0.000 0.000 0.270 388 T C 1.689 176.511 174.700 0.204 0.000 1.068 388 T CA 1.180 63.393 62.100 0.189 0.000 1.131 388 T CB -0.525 68.430 68.868 0.145 0.000 0.871 388 T HN 0.104 nan 8.240 nan 0.000 0.479 389 V N 1.408 121.449 119.914 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 2.096 64.543 62.300 0.245 0.000 0.995 389 V CB -0.949 31.038 31.823 0.273 0.000 0.635 389 V HN 0.511 nan 8.190 nan 0.000 0.448 390 Q N -0.056 119.817 119.800 0.122 0.000 2.047 390 Q HA -0.345 3.994 4.340 -0.000 0.000 0.211 390 Q C 2.373 178.447 176.000 0.123 0.000 1.005 390 Q CA 2.322 58.152 55.803 0.046 0.000 0.866 390 Q CB -0.384 28.369 28.738 0.025 0.000 0.938 390 Q HN 0.525 nan 8.270 nan 0.000 0.414 391 K N -0.299 120.254 120.400 0.254 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 1.931 58.365 56.287 0.246 0.000 0.929 391 K CB -0.356 32.270 32.500 0.210 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 1.863 177.165 175.328 -0.044 0.000 1.081 392 H CA 1.302 57.359 56.048 0.016 0.000 1.345 392 H CB 0.239 30.039 29.762 0.062 0.000 1.393 392 H HN -0.007 nan 8.280 nan 0.000 0.520 393 V N 1.000 120.720 119.914 -0.323 0.000 2.392 393 V HA -0.237 3.883 4.120 -0.000 0.000 0.249 393 V C 2.853 178.702 176.094 -0.408 0.000 1.059 393 V CA 1.370 63.359 62.300 -0.519 0.000 1.051 393 V CB -0.545 30.884 31.823 -0.656 0.000 0.658 393 V HN 0.287 nan 8.190 nan 0.000 0.455 394 V N -0.675 119.101 119.914 -0.230 0.000 2.392 394 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 394 V C 2.237 178.205 176.094 -0.211 0.000 1.059 394 V CA 2.240 64.427 62.300 -0.188 0.000 1.051 394 V CB -0.496 31.287 31.823 -0.067 0.000 0.658 394 V HN 0.550 nan 8.190 nan 0.000 0.455 395 S N -1.477 114.129 115.700 -0.158 0.000 2.803 395 S HA 0.253 4.723 4.470 -0.000 0.000 0.228 395 S C 1.262 175.778 174.600 -0.140 0.000 0.953 395 S CA 0.224 58.361 58.200 -0.105 0.000 0.983 395 S CB -0.306 62.906 63.200 0.019 0.000 0.784 395 S HN 0.510 nan 8.310 nan 0.000 0.498 396 I N -0.975 119.439 120.570 -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 -0.331 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 0.481 108.966 108.800 -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 4.526 4.640 -0.000 0.000 0.192 398 D C 2.694 178.795 176.300 -0.330 0.000 0.993 398 D CA 0.961 54.739 54.000 -0.370 0.000 0.828 398 D CB -0.459 40.220 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 2.169 178.172 176.094 -0.152 0.000 1.122 399 V CA 1.557 63.768 62.300 -0.148 0.000 1.141 399 V CB -0.556 31.216 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 0.928 177.107 176.300 -0.201 0.000 0.921 400 R CA 0.099 56.109 56.100 -0.151 0.000 1.069 400 R CB -0.094 30.154 30.300 -0.087 0.000 1.115 400 R HN 0.374 nan 8.270 nan 0.000 0.571 401 Q N 1.359 120.906 119.800 -0.420 0.000 2.457 401 Q HA -0.197 4.143 4.340 -0.000 0.000 0.283 401 Q C -1.124 174.816 176.000 -0.099 0.000 1.234 401 Q CA 1.223 56.683 55.803 -0.572 0.000 0.877 401 Q CB -1.234 27.264 28.738 -0.400 0.000 1.250 401 Q HN 0.520 nan 8.270 nan 0.000 0.481 402 D N -0.172 120.202 120.400 -0.045 0.000 2.513 402 D HA 0.446 5.086 4.640 -0.000 0.000 0.295 402 D C -0.355 176.017 176.300 0.120 0.000 1.202 402 D CA 0.218 54.268 54.000 0.082 0.000 0.849 402 D CB 0.065 40.908 40.800 0.071 0.000 1.116 402 D HN 0.357 nan 8.370 nan 0.000 0.502 403 C N -0.057 119.348 119.300 0.175 0.000 3.232 403 C HA 0.602 5.062 4.460 -0.000 0.000 0.315 403 C C -1.889 173.229 174.990 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 0.489 nan 8.230 nan 0.000 0.408 404 L N 0.573 121.894 121.223 0.162 0.000 2.611 404 L HA 0.721 5.061 4.340 -0.000 0.000 0.260 404 L C -1.690 175.225 176.870 0.076 0.000 0.924 404 L CA -0.313 54.598 54.840 0.119 0.000 0.901 404 L CB 1.946 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 5.115 125.026 119.914 -0.004 0.000 2.409 405 V HA 0.475 4.595 4.120 -0.000 0.000 0.291 405 V C -0.477 175.625 176.094 0.013 0.000 1.020 405 V CA -0.511 61.746 62.300 -0.071 0.000 0.848 405 V CB 1.802 33.474 31.823 -0.253 0.000 0.990 405 V HN 0.556 nan 8.190 nan 0.000 0.430 406 L N 3.994 125.239 121.223 0.037 0.000 2.346 406 L HA 1.018 5.358 4.340 -0.000 0.000 0.274 406 L C -0.586 176.290 176.870 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 0.302 119.600 119.300 -0.003 0.000 2.880 407 C HA 0.809 5.269 4.460 -0.000 0.000 0.320 407 C C -0.040 174.890 174.990 -0.100 0.000 1.176 407 C CA -0.552 58.435 59.018 -0.052 0.000 1.390 407 C CB 1.740 29.412 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 -0.969 57.070 58.200 -0.268 0.000 0.978 408 S CB 1.749 64.781 63.200 -0.279 0.000 1.073 408 S HN 0.682 nan 8.310 nan 0.000 0.491 409 P HA 0.311 nan 4.420 nan 0.000 0.272 409 P C -2.925 174.339 177.300 -0.060 0.000 1.240 409 P CA -1.567 61.265 63.100 -0.447 0.000 0.791 409 P CB -0.632 30.828 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 -0.207 62.766 63.100 -0.212 0.000 0.784 410 P CB 0.466 31.874 31.700 -0.487 0.000 0.913 411 R N 2.107 122.437 120.500 -0.283 0.000 2.133 411 R HA -0.247 4.093 4.340 -0.000 0.000 0.245 411 R C 1.744 177.912 176.300 -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 2.090 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 0.278 nan 8.360 nan 0.000 0.463 413 T N -0.960 113.509 114.554 -0.141 0.000 3.055 413 T HA 0.024 4.374 4.350 -0.000 0.000 0.265 413 T C 1.409 176.044 174.700 -0.109 0.000 1.111 413 T CA 0.592 62.619 62.100 -0.122 0.000 1.118 413 T CB 0.340 69.018 68.868 -0.316 0.000 0.909 413 T HN -0.038 nan 8.240 nan 0.000 0.501 414 V N -0.716 119.120 119.914 -0.130 0.000 3.368 414 V HA 0.214 4.334 4.120 -0.000 0.000 0.255 414 V C 2.023 177.994 176.094 -0.205 0.000 1.466 414 V CA 0.251 62.474 62.300 -0.128 0.000 1.095 414 V CB 1.028 32.795 31.823 -0.094 0.000 0.899 414 V HN 0.240 nan 8.190 nan 0.000 0.440 415 V N 0.543 120.267 119.914 -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 2.201 64.160 62.300 -0.568 0.000 1.044 415 V CB -0.787 30.453 31.823 -0.973 0.000 0.688 415 V HN 0.534 nan 8.190 nan 0.000 0.462 416 G N 1.606 110.264 108.800 -0.237 0.000 2.464 416 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.214 416 G C 0.731 175.581 174.900 -0.083 0.000 1.218 416 G CA 1.095 46.118 45.100 -0.129 0.000 0.794 416 G HN 0.529 nan 8.290 nan 0.000 0.542 417 I N 0.756 121.283 120.570 -0.072 0.000 3.194 417 I HA 0.359 4.529 4.170 -0.000 0.000 0.283 417 I C -1.934 174.159 176.117 -0.039 0.000 1.199 417 I CA -3.349 57.925 61.300 -0.042 0.000 1.328 417 I CB -0.572 37.412 38.000 -0.027 0.000 1.404 417 I HN 0.013 nan 8.210 nan 0.000 0.618 418 P HA 0.163 nan 4.420 nan 0.000 0.276 418 P C 0.818 178.111 177.300 -0.012 0.000 1.252 418 P CA -0.468 62.624 63.100 -0.014 0.000 0.802 418 P CB 0.977 32.674 31.700 -0.006 0.000 1.035 419 V N 0.353 120.263 119.914 -0.007 0.000 2.392 419 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 419 V C 2.482 178.578 176.094 0.002 0.000 1.059 419 V CA 2.486 64.783 62.300 -0.004 0.000 1.051 419 V CB -1.948 29.875 31.823 0.000 0.000 0.658 419 V HN 0.621 nan 8.190 nan 0.000 0.455 420 T N 0.367 114.923 114.554 0.004 0.000 2.544 420 T HA -0.300 4.050 4.350 -0.000 0.000 0.264 420 T C 2.062 176.770 174.700 0.014 0.000 1.096 420 T CA 2.332 64.438 62.100 0.009 0.000 1.181 420 T CB -0.335 68.538 68.868 0.007 0.000 0.864 420 T HN 0.460 nan 8.240 nan 0.000 0.415 421 R N 0.932 121.440 120.500 0.013 0.000 2.091 421 R HA -0.042 4.298 4.340 -0.000 0.000 0.238 421 R C 2.840 179.157 176.300 0.028 0.000 1.136 421 R CA 1.208 57.321 56.100 0.021 0.000 0.959 421 R CB -0.705 29.604 30.300 0.015 0.000 0.856 421 R HN 0.416 nan 8.270 nan 0.000 0.437 422 A N 0.974 123.800 122.820 0.010 0.000 1.870 422 A HA -0.227 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 -0.963 18.026 19.000 -0.019 0.000 0.836 422 A HN 0.152 nan 8.150 nan 0.000 0.454 423 V N 0.419 120.343 119.914 0.017 0.000 2.295 423 V HA -0.257 3.863 4.120 -0.000 0.000 0.246 423 V C 2.227 178.351 176.094 0.050 0.000 1.049 423 V CA 2.199 64.514 62.300 0.026 0.000 1.024 423 V CB -1.058 30.778 31.823 0.022 0.000 0.648 423 V HN 0.516 nan 8.190 nan 0.000 0.447 424 D N 0.621 121.055 120.400 0.057 0.000 2.154 424 D HA -0.210 4.430 4.640 -0.000 0.000 0.190 424 D C 2.039 178.420 176.300 0.136 0.000 1.003 424 D CA 1.755 55.804 54.000 0.082 0.000 0.849 424 D CB -0.477 40.366 40.800 0.072 0.000 0.942 424 D HN 0.416 nan 8.370 nan 0.000 0.446 425 N N 0.574 119.366 118.700 0.153 0.000 2.025 425 N HA -0.138 4.602 4.740 -0.000 0.000 0.194 425 N C 2.216 177.783 175.510 0.094 0.000 1.044 425 N CA 0.460 53.664 53.050 0.256 0.000 0.851 425 N CB -0.821 37.785 38.487 0.198 0.000 1.036 425 N HN 0.227 nan 8.380 nan 0.000 0.422 426 L N 0.772 122.012 121.223 0.028 0.000 2.013 426 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 426 L C 2.176 179.128 176.870 0.136 0.000 1.073 426 L CA 1.095 55.964 54.840 0.048 0.000 0.753 426 L CB -0.263 41.817 42.059 0.034 0.000 0.890 426 L HN 0.017 nan 8.230 nan 0.000 0.432 427 V N -0.638 119.344 119.914 0.112 0.000 2.379 427 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 427 V C 2.108 178.280 176.094 0.130 0.000 1.044 427 V CA 1.654 64.016 62.300 0.103 0.000 1.036 427 V CB -0.810 31.057 31.823 0.074 0.000 0.664 427 V HN 0.465 nan 8.190 nan 0.000 0.453 428 N N -0.425 118.386 118.700 0.185 0.000 2.061 428 N HA -0.244 4.496 4.740 -0.000 0.000 0.193 428 N C 1.392 177.077 175.510 0.291 0.000 1.030 428 N CA 1.849 55.052 53.050 0.256 0.000 0.856 428 N CB -0.565 38.162 38.487 0.400 0.000 1.023 428 N HN 0.700 nan 8.380 nan 0.000 0.424 429 W N 2.247 123.551 121.300 0.007 0.000 2.363 429 W HA 0.009 4.669 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 0.946 58.229 57.345 -0.104 0.000 1.260 429 W CB -0.017 29.162 29.460 -0.469 0.000 1.131 429 W HN -0.058 nan 8.180 nan 0.000 0.530 430 R N -0.410 120.106 120.500 0.028 0.000 2.316 430 R HA -0.027 4.313 4.340 -0.000 0.000 0.202 430 R C 1.742 177.967 176.300 -0.126 0.000 1.029 430 R CA 1.502 57.540 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 -0.057 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 69.332 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 0.597 4.917 4.320 -0.000 0.000 0.113 432 A C 1.663 179.316 177.584 0.115 0.000 1.309 432 A CA 1.299 53.381 52.037 0.076 0.000 1.277 432 A CB -1.375 17.644 19.000 0.032 0.000 0.984 432 A HN 1.811 nan 8.150 nan 0.000 0.456 433 A N -1.171 121.695 122.820 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 3.625 55.706 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 1.835 46.950 45.100 0.026 0.000 0.919 434 G HN 1.344 nan 8.290 nan 0.000 0.508 435 S N -0.098 115.508 115.700 -0.155 0.000 2.404 435 S HA 0.063 4.533 4.470 -0.000 0.000 0.223 435 S C 0.952 175.394 174.600 -0.264 0.000 1.040 435 S CA 0.426 58.435 58.200 -0.318 0.000 0.957 435 S CB -0.203 62.640 63.200 -0.594 0.000 0.826 435 S HN 0.427 nan 8.310 nan 0.000 0.491 436 Y N 2.132 122.505 120.300 0.122 0.000 2.826 436 Y HA 0.368 4.918 4.550 -0.000 0.000 0.371 436 Y C 1.754 177.743 175.900 0.149 0.000 1.252 436 Y CA -0.535 57.679 58.100 0.189 0.000 1.813 436 Y CB -0.765 37.917 38.460 0.370 0.000 1.913 436 Y HN 0.083 nan 8.280 nan 0.000 0.447 437 T N -1.046 113.614 114.554 0.177 0.000 2.937 437 T HA -0.115 4.235 4.350 -0.000 0.000 0.260 437 T C 1.054 175.823 174.700 0.114 0.000 1.051 437 T CA 2.009 64.182 62.100 0.122 0.000 1.141 437 T CB 0.082 68.990 68.868 0.067 0.000 0.879 437 T HN 0.533 nan 8.240 nan 0.000 0.459 438 D N 1.755 122.230 120.400 0.125 0.000 2.154 438 D HA 0.008 4.648 4.640 -0.000 0.000 0.211 438 D C 0.908 177.296 176.300 0.146 0.000 0.977 438 D CA 0.604 54.668 54.000 0.107 0.000 0.869 438 D CB -0.444 40.411 40.800 0.091 0.000 1.022 438 D HN 0.317 nan 8.370 nan 0.000 0.461 439 N N 2.325 121.157 118.700 0.220 0.000 3.254 439 N HA 0.027 4.767 4.740 -0.000 0.000 0.308 439 N C -0.333 175.422 175.510 0.409 0.000 1.281 439 N CA -0.020 53.210 53.050 0.300 0.000 1.212 439 N CB -0.481 38.203 38.487 0.328 0.000 1.478 439 N HN 0.464 nan 8.380 nan 0.000 0.548 440 N N -0.220 118.591 118.700 0.184 0.000 2.434 440 N HA 0.116 4.856 4.740 -0.000 0.000 0.266 440 N C -0.531 174.801 175.510 -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 0.176 119.514 119.950 -1.021 0.000 2.850 441 F HA 0.297 4.824 4.527 -0.000 0.000 0.329 441 F C 0.200 175.660 175.800 -0.566 0.000 1.182 441 F CA -1.102 56.330 58.000 -0.948 0.000 1.270 441 F CB -0.691 37.153 39.000 -1.927 0.000 0.979 441 F HN 0.438 nan 8.300 nan 0.000 0.506 442 N N 3.381 121.805 118.700 -0.460 0.000 3.027 442 N HA 0.073 4.812 4.740 -0.000 0.000 0.309 442 N C -0.244 175.036 175.510 -0.383 0.000 1.222 442 N CA 0.283 53.109 53.050 -0.372 0.000 1.187 442 N CB -0.644 37.717 38.487 -0.210 0.000 1.458 442 N HN 0.593 nan 8.380 nan 0.000 0.535 443 I N -2.651 117.575 120.570 -0.574 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 -1.011 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 2.004 117.545 115.700 -0.265 0.000 2.488 444 S HA 0.316 4.786 4.470 -0.000 0.000 0.151 444 S C -0.844 173.685 174.600 -0.119 0.000 1.401 444 S CA -0.371 57.717 58.200 -0.187 0.000 1.221 444 S CB 0.224 63.340 63.200 -0.141 0.000 1.407 444 S HN 0.832 nan 8.310 nan 0.000 0.406 445 S N 1.510 117.147 115.700 -0.105 0.000 2.565 445 S HA 0.468 4.938 4.470 -0.000 0.000 0.290 445 S C 1.518 176.115 174.600 -0.005 0.000 1.150 445 S CA 0.188 58.377 58.200 -0.018 0.000 1.058 445 S CB 1.406 64.613 63.200 0.012 0.000 1.032 445 S HN 0.779 nan 8.310 nan 0.000 0.510 446 T N 2.264 116.829 114.554 0.018 0.000 3.072 446 T HA 0.028 4.378 4.350 -0.000 0.000 0.266 446 T C 0.828 175.380 174.700 -0.247 0.000 1.127 446 T CA 0.884 62.911 62.100 -0.121 0.000 1.107 446 T CB -0.471 68.287 68.868 -0.184 0.000 0.910 446 T HN 0.721 nan 8.240 nan 0.000 0.513 447 Y N 1.341 121.597 120.300 -0.074 0.000 2.478 447 Y HA 0.621 5.171 4.550 -0.000 0.000 0.261 447 Y C 1.547 177.399 175.900 -0.079 0.000 1.127 447 Y CA -0.697 57.354 58.100 -0.081 0.000 1.288 447 Y CB 0.034 38.427 38.460 -0.112 0.000 1.084 447 Y HN 0.319 nan 8.280 nan 0.000 0.530 448 A N 1.167 124.019 122.820 0.053 0.000 2.302 448 A HA 0.709 5.029 4.320 -0.000 0.000 0.295 448 A C -0.075 177.529 177.584 0.033 0.000 1.235 448 A CA -0.107 51.952 52.037 0.037 0.000 0.876 448 A CB -0.334 18.663 19.000 -0.004 0.000 1.133 448 A HN 0.230 nan 8.150 nan 0.000 0.533 449 A N 3.765 126.615 122.820 0.050 0.000 2.311 449 A HA 0.623 4.943 4.320 -0.000 0.000 0.306 449 A C -0.060 177.564 177.584 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 19.359 19.000 0.009 0.000 1.172 449 A HN 1.031 nan 8.150 nan 0.000 0.481 450 I N 0.756 121.380 120.570 0.090 0.000 3.210 450 I HA 0.661 4.831 4.170 -0.000 0.000 0.316 450 I C -1.006 175.115 176.117 0.007 0.000 1.067 450 I CA -0.540 60.809 61.300 0.081 0.000 1.047 450 I CB 1.978 40.096 38.000 0.195 0.000 1.352 450 I HN 0.709 nan 8.210 nan 0.000 0.565 451 D N 1.311 121.683 120.400 -0.046 0.000 2.738 451 D HA 0.436 5.076 4.640 -0.000 0.000 0.218 451 D C -0.115 176.054 176.300 -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 0.442 175.259 174.900 -0.138 0.000 1.076 452 G CA 0.020 45.047 45.100 -0.122 0.000 0.789 452 G HN 0.564 nan 8.290 nan 0.000 0.546 453 N N -1.883 116.719 118.700 -0.162 0.000 3.550 453 N HA 0.511 5.251 4.740 -0.000 0.000 0.357 453 N C -1.565 173.781 175.510 -0.273 0.000 1.585 453 N CA -0.862 52.090 53.050 -0.163 0.000 0.651 453 N CB 0.970 39.442 38.487 -0.025 0.000 2.273 453 N HN 0.005 nan 8.380 nan 0.000 0.631 454 Y N -0.044 120.275 120.300 0.033 0.000 2.441 454 Y HA 0.285 4.835 4.550 -0.000 0.000 0.334 454 Y C -0.667 175.475 175.900 0.403 0.000 1.061 454 Y CA -1.061 57.107 58.100 0.113 0.000 1.032 454 Y CB 2.334 40.783 38.460 -0.017 0.000 1.266 454 Y HN 0.387 nan 8.280 nan 0.000 0.441 455 K N 2.855 123.619 120.400 0.606 0.000 2.118 455 K HA 0.231 4.551 4.320 -0.000 0.000 0.264 455 K C -1.790 175.085 176.600 0.457 0.000 1.000 455 K CA -0.441 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 3.091 123.338 120.300 -0.088 0.000 2.587 456 Y HA 0.179 4.729 4.550 -0.000 0.000 0.328 456 Y C -0.188 175.548 175.900 -0.273 0.000 0.980 456 Y CA -0.315 57.417 58.100 -0.613 0.000 1.272 456 Y CB 0.918 38.612 38.460 -1.276 0.000 1.094 456 Y HN 0.707 nan 8.280 nan 0.000 0.503 457 Q N 3.218 122.797 119.800 -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 0.507 120.682 120.300 -0.209 0.000 2.377 458 Y HA 0.298 4.848 4.550 -0.000 0.000 0.339 458 Y C -1.206 174.625 175.900 -0.114 0.000 1.011 458 Y CA -0.908 57.079 58.100 -0.188 0.000 1.093 458 Y CB 1.627 40.009 38.460 -0.129 0.000 1.201 458 Y HN 0.529 nan 8.280 nan 0.000 0.455 459 D N 6.400 126.291 120.400 -0.848 0.000 2.499 459 D HA 0.075 4.715 4.640 -0.000 0.000 0.225 459 D C 0.748 176.552 176.300 -0.827 0.000 1.124 459 D CA -0.341 53.309 54.000 -0.583 0.000 0.938 459 D CB 0.735 41.334 40.800 -0.335 0.000 1.014 459 D HN 0.837 nan 8.370 nan 0.000 0.517 460 K N 2.390 122.408 120.400 -0.636 0.000 2.362 460 K HA -0.224 4.096 4.320 -0.000 0.000 0.202 460 K C 0.379 176.717 176.600 -0.437 0.000 1.045 460 K CA 1.083 57.124 56.287 -0.410 0.000 0.936 460 K CB -0.153 32.237 32.500 -0.183 0.000 0.747 460 K HN 0.352 nan 8.250 nan 0.000 0.467 461 Y N 1.629 121.782 120.300 -0.244 0.000 2.186 461 Y HA 0.044 4.594 4.550 -0.000 0.000 0.286 461 Y C 2.231 178.013 175.900 -0.197 0.000 1.109 461 Y CA 0.982 58.956 58.100 -0.210 0.000 1.099 461 Y CB -0.435 37.846 38.460 -0.298 0.000 1.030 461 Y HN 0.084 nan 8.280 nan 0.000 0.495 462 N N 0.211 118.877 118.700 -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 1.527 54.524 53.050 -0.089 0.000 0.911 462 N CB -0.328 38.099 38.487 -0.099 0.000 0.964 462 N HN 0.316 nan 8.380 nan 0.000 0.447 463 D N -0.324 119.940 120.400 -0.225 0.000 2.739 463 D HA -0.143 4.497 4.640 -0.000 0.000 0.240 463 D C -1.382 174.803 176.300 -0.190 0.000 1.114 463 D CA 0.302 54.166 54.000 -0.226 0.000 0.695 463 D CB -1.079 39.692 40.800 -0.049 0.000 1.078 463 D HN -0.049 nan 8.370 nan 0.000 0.434 464 V N 0.144 119.865 119.914 -0.322 0.000 3.049 464 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 464 V C 0.297 176.235 176.094 -0.259 0.000 1.148 464 V CA -1.295 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 0.530 5.270 4.740 -0.000 0.000 0.277 465 N C -0.388 174.801 175.510 -0.536 0.000 1.126 465 N CA -0.218 52.601 53.050 -0.385 0.000 0.978 465 N CB 1.429 39.742 38.487 -0.289 0.000 1.106 465 N HN 0.740 nan 8.380 nan 0.000 0.461 466 R N 1.497 121.527 120.500 -0.783 0.000 2.626 466 R HA 0.270 4.610 4.340 -0.000 0.000 0.274 466 R C -1.499 174.510 176.300 -0.485 0.000 1.031 466 R CA -0.672 55.153 56.100 -0.458 0.000 0.898 466 R CB 1.144 31.304 30.300 -0.233 0.000 1.222 466 R HN 0.467 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 5.043 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 -0.278 57.072 57.345 0.007 0.000 1.210 467 W CB 1.619 31.108 29.460 0.047 0.000 1.223 467 W HN 0.310 nan 8.180 nan 0.000 0.511 468 V N 2.025 122.090 119.914 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 58.881 62.300 0.149 0.000 0.945 468 V CB 1.771 33.660 31.823 0.110 0.000 1.017 468 V HN 0.321 nan 8.190 nan 0.000 0.428 469 P HA 0.028 nan 4.420 nan 0.000 0.264 469 P C 0.352 177.853 177.300 0.334 0.000 1.193 469 P CA 0.089 63.576 63.100 0.644 0.000 0.763 469 P CB 1.175 33.108 31.700 0.389 0.000 0.810 470 L N 4.716 126.062 121.223 0.205 0.000 2.240 470 L HA -0.027 4.313 4.340 -0.000 0.000 0.211 470 L C 2.447 179.350 176.870 0.054 0.000 1.106 470 L CA 1.725 56.628 54.840 0.104 0.000 0.793 470 L CB -1.705 40.376 42.059 0.036 0.000 0.927 470 L HN 0.438 nan 8.230 nan 0.000 0.446 471 A N 0.045 122.873 122.820 0.013 0.000 1.884 471 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 471 A C 2.514 180.135 177.584 0.061 0.000 1.197 471 A CA 2.395 54.440 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 -0.666 122.210 122.820 0.093 0.000 1.971 472 A HA -0.325 3.995 4.320 -0.000 0.000 0.222 472 A C 1.959 179.660 177.584 0.196 0.000 1.182 472 A CA 2.428 54.542 52.037 0.129 0.000 0.649 472 A CB -0.664 18.414 19.000 0.129 0.000 0.818 472 A HN 0.640 nan 8.150 nan 0.000 0.458 473 D N -0.031 120.458 120.400 0.148 0.000 2.106 473 D HA -0.108 4.532 4.640 -0.000 0.000 0.203 473 D C 2.064 178.309 176.300 -0.091 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 -0.605 119.918 120.570 -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 62.874 61.300 -0.137 0.000 1.412 474 I CB -0.449 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 1.919 124.742 122.820 0.005 0.000 1.902 475 A HA -0.034 4.286 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 1.830 53.931 52.037 0.106 0.000 0.623 475 A CB -1.581 17.529 19.000 0.183 0.000 0.818 475 A HN 0.563 nan 8.150 nan 0.000 0.443 476 G N -0.717 108.119 108.800 0.060 0.000 2.422 476 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.218 476 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.218 476 G C 1.334 175.947 174.900 -0.477 0.000 1.140 476 G CA 0.957 45.833 45.100 -0.374 0.000 0.775 476 G HN 0.422 nan 8.290 nan 0.000 0.545 477 L N 0.349 121.132 121.223 -0.732 0.000 2.456 477 L HA 0.090 4.430 4.340 -0.000 0.000 0.224 477 L C 2.310 179.045 176.870 -0.225 0.000 1.148 477 L CA 0.777 55.262 54.840 -0.592 0.000 0.825 477 L CB -0.321 41.418 42.059 -0.534 0.000 0.937 477 L HN 0.258 nan 8.230 nan 0.000 0.450 478 C N -2.164 117.052 119.300 -0.141 0.000 2.541 478 C HA 0.204 4.664 4.460 -0.000 0.000 0.284 478 C C 2.853 177.833 174.990 -0.018 0.000 1.341 478 C CA 0.185 59.173 59.018 -0.050 0.000 1.732 478 C CB -0.976 26.759 27.740 -0.008 0.000 2.126 478 C HN 0.626 nan 8.230 nan 0.000 0.505 479 A N 0.906 123.725 122.820 -0.001 0.000 2.042 479 A HA -0.184 4.136 4.320 -0.000 0.000 0.222 479 A C 2.086 179.672 177.584 0.003 0.000 1.167 479 A CA 1.604 53.655 52.037 0.023 0.000 0.649 479 A CB -0.371 18.648 19.000 0.030 0.000 0.809 479 A HN 0.560 nan 8.150 nan 0.000 0.457 480 R N -0.177 120.313 120.500 -0.017 0.000 1.633 480 R HA 0.045 4.385 4.340 -0.000 0.000 0.129 480 R C 0.440 176.740 176.300 -0.001 0.000 0.840 480 R CA 0.842 56.943 56.100 0.002 0.000 1.694 480 R CB -1.588 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 2.802 117.352 114.554 -0.008 0.000 2.777 481 T HA -0.088 4.262 4.350 -0.000 0.000 0.273 481 T C 0.084 174.782 174.700 -0.004 0.000 1.016 481 T CA 0.482 62.579 62.100 -0.006 0.000 1.156 481 T CB -0.260 68.599 68.868 -0.014 0.000 1.019 481 T HN 0.253 nan 8.240 nan 0.000 0.503 482 D N 1.681 122.081 120.400 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 1.381 55.383 54.000 0.002 0.000 1.081 482 D CB -0.487 40.312 40.800 -0.002 0.000 0.753 482 D HN 0.774 nan 8.370 nan 0.000 0.889 483 N N -0.519 118.186 118.700 0.009 0.000 2.483 483 N HA 0.589 5.329 4.740 -0.000 0.000 0.285 483 N C -0.242 175.279 175.510 0.018 0.000 1.210 483 N CA -0.520 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 1.900 110.702 108.800 0.002 0.000 3.313 497 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.659 497 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.659 497 G C -0.746 174.172 174.900 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 0.477 120.301 119.800 0.039 0.000 2.394 498 Q HA 0.297 4.637 4.340 -0.000 0.000 0.303 498 Q C 1.456 177.508 176.000 0.087 0.000 1.117 498 Q CA 0.241 56.075 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 1.631 122.260 120.570 0.098 0.000 2.677 499 I HA 0.094 4.264 4.170 -0.000 0.000 0.305 499 I C 0.672 176.876 176.117 0.146 0.000 0.988 499 I CA -0.362 61.036 61.300 0.164 0.000 1.260 499 I CB 0.217 38.303 38.000 0.144 0.000 1.410 499 I HN 0.743 nan 8.210 nan 0.000 0.523 500 L N 2.721 124.048 121.223 0.174 0.000 1.982 500 L HA -0.116 4.224 4.340 -0.000 0.000 0.206 500 L C 1.332 178.229 176.870 0.045 0.000 1.078 500 L CA 1.703 56.578 54.840 0.059 0.000 0.749 500 L CB -0.716 41.308 42.059 -0.057 0.000 0.894 500 L HN 0.678 nan 8.230 nan 0.000 0.436 501 N N -1.154 117.582 118.700 0.059 0.000 2.214 501 N HA 0.150 4.890 4.740 -0.000 0.000 0.214 501 N C -0.093 175.452 175.510 0.058 0.000 1.132 501 N CA -0.150 52.928 53.050 0.046 0.000 0.856 501 N CB 0.042 38.557 38.487 0.048 0.000 1.020 501 N HN -0.052 nan 8.380 nan 0.000 0.509 502 V N 1.734 121.693 119.914 0.075 0.000 3.178 502 V HA -0.005 4.115 4.120 -0.000 0.000 0.306 502 V C 1.488 177.621 176.094 0.065 0.000 1.107 502 V CA 0.485 62.834 62.300 0.081 0.000 1.195 502 V CB 0.642 32.524 31.823 0.098 0.000 0.993 502 V HN 0.465 nan 8.190 nan 0.000 0.493 503 I N -0.896 119.722 120.570 0.080 0.000 4.453 503 I HA 0.555 4.725 4.170 -0.000 0.000 0.342 503 I C -0.121 176.048 176.117 0.086 0.000 1.341 503 I CA -0.169 61.178 61.300 0.079 0.000 1.217 503 I CB 0.192 38.246 38.000 0.090 0.000 1.545 503 I HN 0.619 nan 8.210 nan 0.000 0.557 504 K N 1.703 122.157 120.400 0.090 0.000 2.806 504 K HA 0.401 4.721 4.320 -0.000 0.000 0.293 504 K C -2.289 174.405 176.600 0.157 0.000 1.135 504 K CA -0.552 55.771 56.287 0.060 0.000 0.960 504 K CB 1.454 33.886 32.500 -0.114 0.000 1.374 504 K HN 0.260 nan 8.250 nan 0.000 0.400 505 L N 2.751 124.101 121.223 0.212 0.000 2.341 505 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 505 L C 1.376 178.470 176.870 0.373 0.000 1.009 505 L CA -0.586 54.450 54.840 0.328 0.000 0.819 505 L CB 1.762 43.939 42.059 0.195 0.000 1.323 505 L HN 0.933 nan 8.230 nan 0.000 0.425 506 A N 3.001 126.039 122.820 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 -0.487 18.425 19.000 -0.147 0.000 0.815 506 A HN 0.628 nan 8.150 nan 0.000 0.449 507 I N -4.721 115.887 120.570 0.064 0.000 2.769 507 I HA 0.805 4.975 4.170 -0.000 0.000 0.298 507 I C -1.378 174.769 176.117 0.050 0.000 1.128 507 I CA -0.753 60.571 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 2.676 122.899 120.200 0.039 0.000 2.347 508 E HA 0.269 4.618 4.350 -0.000 0.000 0.285 508 E C -0.518 176.098 176.600 0.025 0.000 0.925 508 E CA -0.165 56.257 56.400 0.037 0.000 0.779 508 E CB 2.632 32.360 29.700 0.047 0.000 1.233 508 E HN 0.888 nan 8.360 nan 0.000 0.414 509 T N -1.072 113.494 114.554 0.021 0.000 3.075 509 T HA 0.343 4.693 4.350 -0.000 0.000 0.251 509 T C -1.121 173.587 174.700 0.014 0.000 0.979 509 T CA -0.036 62.076 62.100 0.020 0.000 1.033 509 T CB -0.301 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