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 3nif_1_C DATA FIRST_RESID 1 DATA SEQUENCE LNLDPVQLTF YAGPNGSQFG FSLDFHKDSH GRVAIVVGAP RTLGPSQEET DATA SEQUENCE GGVFLcPWRA EGGQcPSLLF DLRDETRNVG SQTLQTFKAR QGLGASVVSW DATA SEQUENCE SDVIVAcAPW QHWNVLEKTE EAEKTPVGSc FLAQPESGRR AEYSPcRGNT DATA SEQUENCE LSRIYVENDF SWDKRYcEAG FSSVVTQAGE LVLGAPGGYY FLGLLAQAPV DATA SEQUENCE ADIFSSYRPG ILLWHVSSQS LSFDSSNPEY FDGYWGYSVA VGEFDGDLNT DATA SEQUENCE TEYVVGAPTW SWTLGAVEIL DSYYQRLHRL RGEQMASYFG HSVAVTDVNG DATA SEQUENCE DGRHDLLVGA PLYMESRADR KLAEVGRVYL FLQPRGPHAL GAPSLLLTGT DATA SEQUENCE QLYGRFGSAI APLGDLDRDG YNDIAVAAPY GGPSGRGQVL VFLGQSEGLR DATA SEQUENCE SRPSQVLDSP FPTGSAFGFS LRGAVDIDDN GYPDLIVGAY GANQVAVYRA DATA SEQUENCE QPV 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 1 L HA 0.000 nan 4.340 nan 0.000 0.249 1 L C 0.000 176.864 176.870 -0.011 0.000 1.165 1 L CA 0.000 54.832 54.840 -0.014 0.000 0.813 1 L CB 0.000 42.059 42.059 0.001 0.000 0.961 2 N N 0.641 119.338 118.700 -0.006 0.000 2.214 2 N HA 0.192 4.932 4.740 -0.000 0.000 0.214 2 N C -0.013 175.485 175.510 -0.020 0.000 1.132 2 N CA -0.166 52.867 53.050 -0.028 0.000 0.856 2 N CB 0.131 38.579 38.487 -0.064 0.000 1.020 2 N HN 0.364 nan 8.380 nan 0.000 0.509 3 L N 1.069 122.299 121.223 0.011 0.000 2.426 3 L HA 0.101 4.441 4.340 -0.000 0.000 0.271 3 L C 0.317 177.236 176.870 0.081 0.000 1.169 3 L CA -0.228 54.647 54.840 0.058 0.000 0.836 3 L CB 0.401 42.494 42.059 0.057 0.000 1.112 3 L HN -0.013 nan 8.230 nan 0.000 0.465 4 D N 5.050 125.520 120.400 0.116 0.000 2.365 4 D HA 0.164 4.804 4.640 -0.000 0.000 0.237 4 D C -1.818 174.580 176.300 0.163 0.000 1.190 4 D CA -1.944 52.114 54.000 0.096 0.000 0.867 4 D CB 1.207 42.039 40.800 0.054 0.000 1.050 4 D HN 0.195 nan 8.370 nan 0.000 0.491 5 P HA 0.067 nan 4.420 nan 0.000 0.258 5 P C 0.576 177.928 177.300 0.087 0.000 1.416 5 P CA -0.056 63.156 63.100 0.187 0.000 0.927 5 P CB 0.753 32.539 31.700 0.144 0.000 1.444 6 V N -0.270 119.672 119.914 0.046 0.000 2.721 6 V HA 0.097 4.217 4.120 -0.000 0.000 0.236 6 V C 1.130 177.225 176.094 0.001 0.000 1.116 6 V CA 0.993 63.306 62.300 0.021 0.000 1.148 6 V CB -0.609 31.224 31.823 0.017 0.000 0.886 6 V HN 0.049 nan 8.190 nan 0.000 0.490 7 Q N 1.353 121.146 119.800 -0.010 0.000 2.655 7 Q HA 0.449 4.789 4.340 -0.000 0.000 0.228 7 Q C -0.839 175.103 176.000 -0.098 0.000 1.186 7 Q CA -0.093 55.692 55.803 -0.030 0.000 1.004 7 Q CB 0.623 29.357 28.738 -0.007 0.000 1.242 7 Q HN 0.471 nan 8.270 nan 0.000 0.558 8 L N 0.503 121.604 121.223 -0.204 0.000 2.468 8 L HA 0.464 4.804 4.340 -0.000 0.000 0.254 8 L C 0.403 176.997 176.870 -0.459 0.000 1.171 8 L CA -0.322 54.226 54.840 -0.485 0.000 0.809 8 L CB 0.929 42.471 42.059 -0.862 0.000 1.155 8 L HN 0.316 nan 8.230 nan 0.000 0.473 9 T N 0.699 114.932 114.554 -0.536 0.000 2.841 9 T HA 0.599 4.949 4.350 -0.000 0.000 0.283 9 T C -0.816 173.558 174.700 -0.542 0.000 1.000 9 T CA -0.286 61.587 62.100 -0.378 0.000 0.977 9 T CB 1.025 69.847 68.868 -0.076 0.000 0.979 9 T HN 0.134 nan 8.240 nan 0.000 0.446 10 F N 1.896 121.790 119.950 -0.094 0.000 2.507 10 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 10 F C -0.551 175.187 175.800 -0.104 0.000 1.116 10 F CA -1.020 57.002 58.000 0.035 0.000 0.930 10 F CB 1.453 40.498 39.000 0.075 0.000 1.146 10 F HN 0.495 nan 8.300 nan 0.000 0.447 11 Y N 1.347 121.840 120.300 0.322 0.000 2.468 11 Y HA 0.759 5.309 4.550 -0.000 0.000 0.342 11 Y C -0.130 175.795 175.900 0.042 0.000 1.021 11 Y CA -1.154 57.065 58.100 0.198 0.000 1.079 11 Y CB 2.140 40.787 38.460 0.312 0.000 1.226 11 Y HN 0.658 nan 8.280 nan 0.000 0.460 12 A N 1.346 124.046 122.820 -0.200 0.000 2.393 12 A HA 0.822 5.142 4.320 -0.000 0.000 0.306 12 A C -0.257 176.604 177.584 -1.205 0.000 1.050 12 A CA -0.224 51.469 52.037 -0.573 0.000 0.724 12 A CB 0.935 19.776 19.000 -0.264 0.000 1.248 12 A HN 0.875 nan 8.150 nan 0.000 0.424 13 G N 0.765 108.639 108.800 -1.543 0.000 2.705 13 G HA2 0.725 4.685 3.960 -0.000 0.000 0.299 13 G HA3 0.725 4.685 3.960 -0.000 0.000 0.299 13 G C -2.948 171.676 174.900 -0.459 0.000 1.315 13 G CA -1.798 42.586 45.100 -1.193 0.000 1.045 13 G HN 0.513 nan 8.290 nan 0.000 0.517 14 P HA 0.107 nan 4.420 nan 0.000 0.272 14 P C -0.267 177.007 177.300 -0.042 0.000 1.223 14 P CA -0.545 62.506 63.100 -0.081 0.000 0.784 14 P CB 0.518 32.235 31.700 0.028 0.000 0.923 15 N N 1.153 119.835 118.700 -0.031 0.000 2.458 15 N HA 0.217 4.957 4.740 -0.000 0.000 0.258 15 N C 1.376 176.898 175.510 0.020 0.000 1.219 15 N CA 1.808 54.851 53.050 -0.012 0.000 0.902 15 N CB -0.374 38.104 38.487 -0.015 0.000 1.076 15 N HN 0.687 nan 8.380 nan 0.000 0.455 16 G N 1.256 110.077 108.800 0.035 0.000 2.199 16 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.254 16 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.254 16 G C 0.907 175.852 174.900 0.075 0.000 0.982 16 G CA 0.897 46.027 45.100 0.050 0.000 0.632 16 G HN 0.892 nan 8.290 nan 0.000 0.529 17 S N -0.355 115.406 115.700 0.102 0.000 2.496 17 S HA 0.195 4.665 4.470 -0.000 0.000 0.224 17 S C 1.273 175.975 174.600 0.170 0.000 0.996 17 S CA 1.284 59.571 58.200 0.146 0.000 0.927 17 S CB -0.166 63.156 63.200 0.202 0.000 0.774 17 S HN 1.115 nan 8.310 nan 0.000 0.524 18 Q N -0.295 119.626 119.800 0.202 0.000 2.481 18 Q HA -0.196 4.144 4.340 -0.000 0.000 0.272 18 Q C -0.488 175.714 176.000 0.337 0.000 1.157 18 Q CA 0.490 56.465 55.803 0.287 0.000 0.935 18 Q CB -2.447 26.384 28.738 0.155 0.000 1.338 18 Q HN 0.727 nan 8.270 nan 0.000 0.494 19 F N 0.821 120.858 119.950 0.145 0.000 2.593 19 F HA 0.195 4.722 4.527 -0.000 0.000 0.393 19 F C 1.488 177.380 175.800 0.153 0.000 1.037 19 F CA 2.179 60.249 58.000 0.117 0.000 1.195 19 F CB 0.331 39.315 39.000 -0.028 0.000 1.034 19 F HN 0.316 nan 8.300 nan 0.000 0.552 20 G N 4.979 113.715 108.800 -0.107 0.000 2.176 20 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.232 20 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.232 20 G C 0.774 175.797 174.900 0.204 0.000 0.986 20 G CA 0.166 45.280 45.100 0.023 0.000 0.643 20 G HN 0.754 nan 8.290 nan 0.000 0.522 21 F N 2.640 122.662 119.950 0.120 0.000 2.126 21 F HA 0.155 4.682 4.527 -0.000 0.000 0.299 21 F C 1.652 177.527 175.800 0.125 0.000 1.096 21 F CA 2.381 60.457 58.000 0.127 0.000 1.255 21 F CB 0.106 39.063 39.000 -0.071 0.000 0.997 21 F HN 0.565 nan 8.300 nan 0.000 0.479 22 S N -0.177 115.640 115.700 0.195 0.000 2.599 22 S HA 0.749 5.219 4.470 -0.000 0.000 0.287 22 S C -1.175 173.404 174.600 -0.036 0.000 1.105 22 S CA -0.518 57.707 58.200 0.041 0.000 0.899 22 S CB 2.520 65.766 63.200 0.077 0.000 1.100 22 S HN 0.290 nan 8.310 nan 0.000 0.482 23 L N -1.398 119.778 121.223 -0.078 0.000 2.775 23 L HA 0.975 5.315 4.340 -0.000 0.000 0.263 23 L C -1.478 175.315 176.870 -0.127 0.000 1.017 23 L CA -0.571 54.194 54.840 -0.124 0.000 0.891 23 L CB 0.898 42.855 42.059 -0.170 0.000 1.482 23 L HN 0.813 nan 8.230 nan 0.000 0.410 24 D N -0.614 119.696 120.400 -0.151 0.000 2.622 24 D HA 0.592 5.232 4.640 -0.000 0.000 0.255 24 D C -1.574 174.625 176.300 -0.168 0.000 1.246 24 D CA -0.296 53.631 54.000 -0.120 0.000 0.795 24 D CB 1.580 42.392 40.800 0.020 0.000 1.369 24 D HN 0.385 nan 8.370 nan 0.000 0.425 25 F N 1.145 121.122 119.950 0.046 0.000 2.429 25 F HA 0.373 4.900 4.527 -0.000 0.000 0.348 25 F C 0.515 176.383 175.800 0.114 0.000 1.109 25 F CA -0.018 58.015 58.000 0.054 0.000 1.232 25 F CB 0.785 39.793 39.000 0.014 0.000 1.157 25 F HN 0.240 nan 8.300 nan 0.000 0.564 26 H N 2.366 121.549 119.070 0.187 0.000 2.744 26 H HA 0.396 4.952 4.556 -0.000 0.000 0.339 26 H C -1.249 174.135 175.328 0.092 0.000 1.004 26 H CA -0.930 55.185 56.048 0.112 0.000 1.257 26 H CB 0.940 30.752 29.762 0.082 0.000 1.552 26 H HN 0.506 nan 8.280 nan 0.000 0.522 27 K N 3.936 124.096 120.400 -0.400 0.000 2.172 27 K HA 0.180 4.500 4.320 -0.000 0.000 0.276 27 K C -0.339 175.885 176.600 -0.626 0.000 1.013 27 K CA -0.892 55.173 56.287 -0.369 0.000 0.913 27 K CB 0.977 33.343 32.500 -0.224 0.000 1.055 27 K HN 0.763 nan 8.250 nan 0.000 0.461 28 D N 0.372 120.568 120.400 -0.342 0.000 2.433 28 D HA -0.053 4.587 4.640 -0.000 0.000 0.255 28 D C 0.831 177.032 176.300 -0.165 0.000 1.226 28 D CA -0.546 53.338 54.000 -0.193 0.000 1.015 28 D CB 0.463 41.282 40.800 0.031 0.000 1.091 28 D HN 0.376 nan 8.370 nan 0.000 0.527 29 S N -1.595 113.997 115.700 -0.180 0.000 2.595 29 S HA -0.159 4.311 4.470 -0.000 0.000 0.235 29 S C 0.633 174.977 174.600 -0.427 0.000 0.974 29 S CA 0.586 58.599 58.200 -0.311 0.000 0.942 29 S CB -0.876 62.113 63.200 -0.352 0.000 0.766 29 S HN 0.577 nan 8.310 nan 0.000 0.536 30 H N 0.298 119.329 119.070 -0.064 0.000 2.594 30 H HA 0.477 5.032 4.556 -0.000 0.000 0.279 30 H C 1.605 176.900 175.328 -0.056 0.000 1.042 30 H CA -0.033 55.986 56.048 -0.048 0.000 1.177 30 H CB 0.218 29.965 29.762 -0.026 0.000 1.524 30 H HN 0.449 nan 8.280 nan 0.000 0.537 31 G N 1.359 110.152 108.800 -0.012 0.000 2.155 31 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.257 31 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.257 31 G C 0.426 175.316 174.900 -0.017 0.000 0.983 31 G CA 0.113 45.188 45.100 -0.041 0.000 0.676 31 G HN 0.470 nan 8.290 nan 0.000 0.528 32 R N 0.305 120.820 120.500 0.024 0.000 2.296 32 R HA 0.463 4.803 4.340 -0.000 0.000 0.323 32 R C 0.407 176.724 176.300 0.029 0.000 1.067 32 R CA -0.383 55.744 56.100 0.045 0.000 0.946 32 R CB 0.552 30.901 30.300 0.081 0.000 0.991 32 R HN 0.065 nan 8.270 nan 0.000 0.448 33 V N 4.476 124.414 119.914 0.040 0.000 2.530 33 V HA 0.492 4.612 4.120 -0.000 0.000 0.282 33 V C 0.432 176.624 176.094 0.163 0.000 1.048 33 V CA -0.025 62.312 62.300 0.062 0.000 0.997 33 V CB 1.023 32.854 31.823 0.013 0.000 0.987 33 V HN 0.978 nan 8.190 nan 0.000 0.477 34 A N 5.515 128.450 122.820 0.192 0.000 2.483 34 A HA 0.934 5.254 4.320 -0.000 0.000 0.286 34 A C -0.955 176.741 177.584 0.187 0.000 1.207 34 A CA -0.767 51.403 52.037 0.222 0.000 0.764 34 A CB 1.373 20.507 19.000 0.224 0.000 1.341 34 A HN 0.672 nan 8.150 nan 0.000 0.428 35 I N 0.882 121.495 120.570 0.072 0.000 2.389 35 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 35 I C -0.870 175.216 176.117 -0.053 0.000 0.999 35 I CA -0.859 60.404 61.300 -0.063 0.000 1.129 35 I CB 1.918 39.788 38.000 -0.217 0.000 1.288 35 I HN 0.293 nan 8.210 nan 0.000 0.444 36 V N 7.061 126.951 119.914 -0.041 0.000 2.461 36 V HA 0.330 4.450 4.120 -0.000 0.000 0.275 36 V C 0.088 176.123 176.094 -0.099 0.000 1.047 36 V CA -0.539 61.736 62.300 -0.041 0.000 0.955 36 V CB 1.249 33.057 31.823 -0.025 0.000 0.988 36 V HN 0.416 nan 8.190 nan 0.000 0.471 37 V N 3.851 123.705 119.914 -0.100 0.000 2.531 37 V HA 0.695 4.815 4.120 -0.000 0.000 0.301 37 V C 0.683 176.713 176.094 -0.106 0.000 1.034 37 V CA -0.404 61.755 62.300 -0.234 0.000 0.865 37 V CB 1.795 33.230 31.823 -0.646 0.000 0.995 37 V HN 0.976 nan 8.190 nan 0.000 0.424 38 G N 2.818 111.573 108.800 -0.076 0.000 2.395 38 G HA2 0.607 4.566 3.960 -0.000 0.000 0.283 38 G HA3 0.607 4.566 3.960 -0.000 0.000 0.283 38 G C -0.162 174.776 174.900 0.063 0.000 1.178 38 G CA -0.011 45.100 45.100 0.019 0.000 0.837 38 G HN 1.231 nan 8.290 nan 0.000 0.518 39 A N 3.939 126.842 122.820 0.139 0.000 3.127 39 A HA 0.644 4.963 4.320 -0.000 0.000 0.319 39 A C -1.703 175.945 177.584 0.107 0.000 1.104 39 A CA -1.056 51.108 52.037 0.212 0.000 0.802 39 A CB 1.570 20.858 19.000 0.480 0.000 1.193 39 A HN 0.423 nan 8.150 nan 0.000 0.479 40 P HA -0.066 nan 4.420 nan 0.000 0.234 40 P C 0.697 177.975 177.300 -0.038 0.000 1.167 40 P CA 0.844 63.890 63.100 -0.091 0.000 0.763 40 P CB 0.179 31.694 31.700 -0.309 0.000 0.835 41 R N -1.293 119.206 120.500 -0.001 0.000 2.543 41 R HA 0.179 4.519 4.340 -0.000 0.000 0.323 41 R C 0.168 176.503 176.300 0.059 0.000 1.002 41 R CA -0.033 56.076 56.100 0.015 0.000 1.106 41 R CB 0.112 30.409 30.300 -0.005 0.000 1.280 41 R HN 0.057 nan 8.270 nan 0.000 0.549 42 T N 2.534 117.148 114.554 0.101 0.000 2.933 42 T HA 0.006 4.356 4.350 -0.000 0.000 0.306 42 T C 0.705 175.452 174.700 0.078 0.000 1.045 42 T CA 0.385 62.563 62.100 0.131 0.000 1.143 42 T CB 0.655 69.637 68.868 0.190 0.000 1.003 42 T HN 0.107 nan 8.240 nan 0.000 0.540 43 L N 2.734 124.001 121.223 0.074 0.000 2.453 43 L HA 0.330 4.670 4.340 -0.000 0.000 0.272 43 L C 1.416 178.312 176.870 0.043 0.000 1.182 43 L CA -0.352 54.519 54.840 0.051 0.000 0.858 43 L CB 0.006 42.093 42.059 0.046 0.000 1.120 43 L HN 0.787 nan 8.230 nan 0.000 0.474 44 G N 2.321 111.141 108.800 0.033 0.000 2.543 44 G HA2 0.343 4.303 3.960 -0.000 0.000 0.290 44 G HA3 0.343 4.303 3.960 -0.000 0.000 0.290 44 G C -1.654 173.261 174.900 0.026 0.000 1.310 44 G CA -0.748 44.367 45.100 0.025 0.000 1.025 44 G HN 0.523 nan 8.290 nan 0.000 0.502 45 P HA -0.076 nan 4.420 nan 0.000 0.221 45 P C 1.741 179.055 177.300 0.024 0.000 1.150 45 P CA 1.530 64.643 63.100 0.022 0.000 0.800 45 P CB 0.065 31.777 31.700 0.020 0.000 0.787 46 S N -0.955 114.762 115.700 0.028 0.000 2.603 46 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 46 S C 1.102 175.718 174.600 0.026 0.000 0.972 46 S CA 0.226 58.443 58.200 0.029 0.000 0.935 46 S CB -1.102 62.119 63.200 0.036 0.000 0.769 46 S HN 0.203 nan 8.310 nan 0.000 0.536 47 Q N -0.702 119.113 119.800 0.025 0.000 2.452 47 Q HA -0.226 4.114 4.340 -0.000 0.000 0.248 47 Q C -0.178 175.836 176.000 0.023 0.000 0.874 47 Q CA 1.277 57.094 55.803 0.024 0.000 1.208 47 Q CB -1.688 27.062 28.738 0.020 0.000 1.569 47 Q HN 0.839 nan 8.270 nan 0.000 0.579 48 E N 0.502 120.718 120.200 0.027 0.000 2.250 48 E HA 0.261 4.611 4.350 -0.000 0.000 0.269 48 E C -0.625 175.993 176.600 0.029 0.000 1.018 48 E CA -0.502 55.914 56.400 0.026 0.000 0.873 48 E CB 0.940 30.659 29.700 0.032 0.000 1.134 48 E HN 0.102 nan 8.360 nan 0.000 0.403 49 E N 0.644 120.858 120.200 0.024 0.000 2.366 49 E HA 0.006 4.356 4.350 -0.000 0.000 0.266 49 E C 0.221 176.844 176.600 0.039 0.000 1.015 49 E CA 0.515 56.931 56.400 0.027 0.000 0.906 49 E CB 0.751 30.458 29.700 0.013 0.000 0.979 49 E HN 0.603 nan 8.360 nan 0.000 0.443 50 T N -0.215 114.361 114.554 0.038 0.000 2.993 50 T HA 0.362 4.712 4.350 -0.000 0.000 0.260 50 T C 0.787 175.498 174.700 0.018 0.000 0.939 50 T CA 0.051 62.175 62.100 0.040 0.000 0.886 50 T CB 0.616 69.499 68.868 0.025 0.000 1.209 50 T HN 0.741 nan 8.240 nan 0.000 0.518 51 G N -0.345 108.465 108.800 0.017 0.000 2.746 51 G HA2 0.418 4.378 3.960 -0.000 0.000 0.685 51 G HA3 0.418 4.378 3.960 -0.000 0.000 0.685 51 G C -0.165 174.719 174.900 -0.027 0.000 1.350 51 G CA -0.457 44.644 45.100 0.002 0.000 0.837 51 G HN 1.531 nan 8.290 nan 0.000 0.564 52 G N -2.041 106.747 108.800 -0.020 0.000 2.559 52 G HA2 0.811 4.771 3.960 -0.000 0.000 0.291 52 G HA3 0.811 4.771 3.960 -0.000 0.000 0.291 52 G C -1.417 173.429 174.900 -0.090 0.000 1.424 52 G CA 0.351 45.397 45.100 -0.091 0.000 0.786 52 G HN 1.717 nan 8.290 nan 0.000 0.485 53 V N -0.050 119.732 119.914 -0.221 0.000 2.789 53 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 53 V C -1.145 174.709 176.094 -0.399 0.000 1.073 53 V CA -0.627 61.601 62.300 -0.120 0.000 0.921 53 V CB 1.664 33.541 31.823 0.091 0.000 1.009 53 V HN 0.620 nan 8.190 nan 0.000 0.426 54 F N 3.477 123.455 119.950 0.047 0.000 2.561 54 F HA 0.738 5.265 4.527 -0.000 0.000 0.321 54 F C -0.429 175.385 175.800 0.023 0.000 1.065 54 F CA -0.870 57.179 58.000 0.081 0.000 0.934 54 F CB 2.034 41.175 39.000 0.236 0.000 1.215 54 F HN 0.290 nan 8.300 nan 0.000 0.471 55 L N 3.223 124.569 121.223 0.205 0.000 2.401 55 L HA 0.524 4.864 4.340 -0.000 0.000 0.263 55 L C -1.266 175.686 176.870 0.138 0.000 1.004 55 L CA -0.494 54.413 54.840 0.112 0.000 0.881 55 L CB 0.392 42.484 42.059 0.056 0.000 1.219 55 L HN 0.667 nan 8.230 nan 0.000 0.441 56 c N 6.683 125.330 118.600 0.078 0.000 2.349 56 c HA 0.464 5.034 4.570 -0.000 0.000 0.348 56 c C -1.874 172.262 174.090 0.077 0.000 1.223 56 c CA -1.101 55.243 56.329 0.024 0.000 1.746 56 c CB -0.216 42.067 42.510 -0.379 0.000 2.360 56 c HN 0.590 nan 8.230 nan 0.000 0.533 57 P HA -0.026 nan 4.420 nan 0.000 0.272 57 P C -0.194 177.309 177.300 0.338 0.000 1.230 57 P CA -0.315 62.921 63.100 0.225 0.000 0.788 57 P CB 0.636 32.444 31.700 0.181 0.000 0.949 58 W N 4.436 125.843 121.300 0.179 0.000 2.303 58 W HA 0.182 4.842 4.660 -0.000 0.000 0.318 58 W C -0.846 175.796 176.519 0.205 0.000 1.362 58 W CA -0.279 57.204 57.345 0.229 0.000 1.234 58 W CB 0.401 29.961 29.460 0.166 0.000 1.248 58 W HN 0.376 nan 8.180 nan 0.000 0.546 59 R N 4.792 124.846 120.500 -0.744 0.000 2.522 59 R HA 0.306 4.646 4.340 -0.000 0.000 0.283 59 R C 0.718 176.261 176.300 -1.261 0.000 1.074 59 R CA -0.238 55.336 56.100 -0.878 0.000 0.925 59 R CB 1.710 31.798 30.300 -0.354 0.000 1.205 59 R HN 0.577 nan 8.270 nan 0.000 0.436 60 A N 2.534 124.693 122.820 -1.102 0.000 1.948 60 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 60 A C 1.702 179.030 177.584 -0.427 0.000 1.177 60 A CA 1.900 53.531 52.037 -0.676 0.000 0.636 60 A CB -0.258 18.588 19.000 -0.256 0.000 0.815 60 A HN 0.831 nan 8.150 nan 0.000 0.449 61 E N -0.267 119.710 120.200 -0.371 0.000 2.435 61 E HA 0.259 4.609 4.350 -0.000 0.000 0.195 61 E C 1.237 177.641 176.600 -0.326 0.000 1.029 61 E CA 0.952 57.197 56.400 -0.258 0.000 0.865 61 E CB -0.976 28.615 29.700 -0.181 0.000 0.833 61 E HN 0.931 nan 8.360 nan 0.000 0.510 62 G N 1.016 109.496 108.800 -0.533 0.000 2.550 62 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.277 62 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.277 62 G C 0.646 175.226 174.900 -0.533 0.000 1.190 62 G CA 0.937 45.488 45.100 -0.916 0.000 0.971 62 G HN 1.295 nan 8.290 nan 0.000 0.559 63 G N -2.679 105.880 108.800 -0.401 0.000 2.378 63 G HA2 0.390 4.350 3.960 -0.000 0.000 0.198 63 G HA3 0.390 4.350 3.960 -0.000 0.000 0.198 63 G C -0.348 174.541 174.900 -0.019 0.000 1.223 63 G CA 0.592 45.608 45.100 -0.141 0.000 1.088 63 G HN 1.379 nan 8.290 nan 0.000 0.530 64 Q N -0.657 119.141 119.800 -0.002 0.000 2.312 64 Q HA 0.579 4.919 4.340 -0.000 0.000 0.236 64 Q C -0.144 175.930 176.000 0.124 0.000 0.965 64 Q CA 0.053 55.856 55.803 0.001 0.000 0.894 64 Q CB 1.495 30.216 28.738 -0.028 0.000 1.225 64 Q HN 0.757 nan 8.270 nan 0.000 0.478 65 c N 1.999 120.678 118.600 0.131 0.000 2.614 65 c HA 0.600 5.170 4.570 -0.000 0.000 0.320 65 c C -2.098 172.184 174.090 0.321 0.000 1.200 65 c CA -1.313 55.171 56.329 0.258 0.000 1.700 65 c CB 1.583 44.303 42.510 0.349 0.000 2.275 65 c HN 0.691 nan 8.230 nan 0.000 0.492 66 P HA 0.174 nan 4.420 nan 0.000 0.275 66 P C -0.399 177.059 177.300 0.264 0.000 1.228 66 P CA 0.231 63.468 63.100 0.229 0.000 0.786 66 P CB 0.715 32.492 31.700 0.129 0.000 0.927 67 S N 1.129 116.903 115.700 0.122 0.000 2.564 67 S HA 0.223 4.693 4.470 -0.000 0.000 0.278 67 S C -0.148 174.346 174.600 -0.178 0.000 1.333 67 S CA -0.524 57.570 58.200 -0.177 0.000 1.048 67 S CB -0.347 62.738 63.200 -0.191 0.000 0.900 67 S HN 0.396 nan 8.310 nan 0.000 0.505 68 L N 6.967 128.024 121.223 -0.276 0.000 2.272 68 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 68 L C -0.853 175.717 176.870 -0.500 0.000 1.045 68 L CA -0.075 54.580 54.840 -0.308 0.000 0.842 68 L CB 0.278 42.198 42.059 -0.232 0.000 1.224 68 L HN 0.616 nan 8.230 nan 0.000 0.430 69 L N 5.109 126.046 121.223 -0.477 0.000 2.380 69 L HA 0.342 4.682 4.340 -0.000 0.000 0.273 69 L C -0.660 175.798 176.870 -0.687 0.000 1.138 69 L CA 0.237 54.825 54.840 -0.420 0.000 0.832 69 L CB 0.397 42.316 42.059 -0.234 0.000 1.124 69 L HN 0.451 nan 8.230 nan 0.000 0.454 70 F N -0.003 119.846 119.950 -0.167 0.000 2.603 70 F HA 0.249 4.776 4.527 -0.000 0.000 0.317 70 F C 0.182 175.906 175.800 -0.127 0.000 1.066 70 F CA -1.122 56.769 58.000 -0.181 0.000 0.941 70 F CB 1.240 39.974 39.000 -0.444 0.000 1.291 70 F HN 0.336 nan 8.300 nan 0.000 0.472 71 D N 1.990 122.508 120.400 0.197 0.000 2.382 71 D HA 0.160 4.800 4.640 -0.000 0.000 0.259 71 D C 0.111 176.489 176.300 0.130 0.000 1.224 71 D CA 0.573 54.667 54.000 0.157 0.000 0.894 71 D CB 0.550 41.479 40.800 0.216 0.000 1.127 71 D HN 0.501 nan 8.370 nan 0.000 0.487 72 L N 3.507 124.773 121.223 0.071 0.000 2.965 72 L HA 0.280 4.620 4.340 -0.000 0.000 0.254 72 L C 0.821 177.737 176.870 0.077 0.000 1.220 72 L CA -0.338 54.534 54.840 0.054 0.000 1.023 72 L CB 0.122 42.188 42.059 0.011 0.000 1.355 72 L HN 0.061 nan 8.230 nan 0.000 0.545 73 R N 0.280 120.833 120.500 0.088 0.000 2.410 73 R HA 0.212 4.552 4.340 -0.000 0.000 0.288 73 R C -0.517 175.824 176.300 0.068 0.000 1.051 73 R CA -0.544 55.597 56.100 0.068 0.000 1.021 73 R CB 0.819 31.154 30.300 0.058 0.000 1.032 73 R HN -0.057 nan 8.270 nan 0.000 0.481 74 D N 2.338 122.759 120.400 0.035 0.000 2.389 74 D HA 0.058 4.698 4.640 -0.000 0.000 0.247 74 D C -0.353 175.919 176.300 -0.048 0.000 1.128 74 D CA 0.375 54.358 54.000 -0.027 0.000 0.884 74 D CB 0.864 41.619 40.800 -0.074 0.000 1.194 74 D HN 0.343 nan 8.370 nan 0.000 0.441 75 E N 0.359 120.518 120.200 -0.070 0.000 2.195 75 E HA 0.544 4.894 4.350 -0.000 0.000 0.271 75 E C -0.658 175.880 176.600 -0.103 0.000 0.923 75 E CA -0.756 55.620 56.400 -0.040 0.000 0.790 75 E CB 1.835 31.557 29.700 0.037 0.000 1.155 75 E HN 0.141 nan 8.360 nan 0.000 0.402 76 T N 2.207 116.717 114.554 -0.073 0.000 2.848 76 T HA 0.451 4.801 4.350 -0.000 0.000 0.285 76 T C -0.916 173.758 174.700 -0.043 0.000 0.995 76 T CA -0.725 61.322 62.100 -0.089 0.000 0.970 76 T CB 1.073 69.890 68.868 -0.085 0.000 0.976 76 T HN 0.261 nan 8.240 nan 0.000 0.441 77 R N 3.076 123.552 120.500 -0.041 0.000 2.483 77 R HA 0.323 4.663 4.340 -0.000 0.000 0.303 77 R C -1.153 175.135 176.300 -0.020 0.000 0.987 77 R CA -0.675 55.417 56.100 -0.013 0.000 0.881 77 R CB 0.600 30.914 30.300 0.023 0.000 1.177 77 R HN 0.513 nan 8.270 nan 0.000 0.451 78 N N 3.487 122.178 118.700 -0.016 0.000 2.420 78 N HA 0.246 4.986 4.740 -0.000 0.000 0.249 78 N C -1.144 174.364 175.510 -0.003 0.000 1.033 78 N CA -0.047 52.995 53.050 -0.013 0.000 0.944 78 N CB 1.906 40.385 38.487 -0.013 0.000 1.113 78 N HN 0.297 nan 8.380 nan 0.000 0.502 79 V N 0.271 120.187 119.914 0.002 0.000 3.077 79 V HA 0.543 4.662 4.120 -0.000 0.000 0.299 79 V C 0.527 176.629 176.094 0.013 0.000 1.276 79 V CA -0.129 62.177 62.300 0.010 0.000 0.993 79 V CB 1.588 33.422 31.823 0.018 0.000 1.076 79 V HN 0.821 nan 8.190 nan 0.000 0.434 80 G N 4.058 112.866 108.800 0.014 0.000 2.321 80 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.287 80 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.287 80 G C 0.658 175.565 174.900 0.010 0.000 1.018 80 G CA 1.187 46.296 45.100 0.015 0.000 0.855 80 G HN 2.126 nan 8.290 nan 0.000 0.507 81 S N -2.284 113.419 115.700 0.006 0.000 3.476 81 S HA -0.212 4.258 4.470 -0.000 0.000 0.309 81 S C 0.593 175.194 174.600 0.001 0.000 1.222 81 S CA 2.154 60.355 58.200 0.003 0.000 0.922 81 S CB -0.991 62.211 63.200 0.004 0.000 1.023 81 S HN 1.124 nan 8.310 nan 0.000 0.591 82 Q N -0.558 119.242 119.800 -0.001 0.000 2.496 82 Q HA 0.619 4.959 4.340 -0.000 0.000 0.286 82 Q C -0.760 175.227 176.000 -0.023 0.000 1.103 82 Q CA -0.766 55.032 55.803 -0.008 0.000 0.813 82 Q CB 1.915 30.654 28.738 0.000 0.000 1.444 82 Q HN 0.211 nan 8.270 nan 0.000 0.443 83 T N 1.657 116.184 114.554 -0.046 0.000 2.815 83 T HA 0.465 4.815 4.350 -0.000 0.000 0.289 83 T C -0.609 174.002 174.700 -0.148 0.000 1.000 83 T CA -0.535 61.521 62.100 -0.073 0.000 0.958 83 T CB 0.248 69.080 68.868 -0.061 0.000 0.944 83 T HN 0.257 nan 8.240 nan 0.000 0.442 84 L N 3.728 124.851 121.223 -0.166 0.000 2.289 84 L HA 0.554 4.894 4.340 -0.000 0.000 0.285 84 L C 0.197 176.833 176.870 -0.391 0.000 1.049 84 L CA -0.723 53.908 54.840 -0.348 0.000 0.804 84 L CB 0.884 42.881 42.059 -0.104 0.000 1.195 84 L HN 0.490 nan 8.230 nan 0.000 0.428 85 Q N 2.043 121.448 119.800 -0.659 0.000 2.323 85 Q HA 0.443 4.783 4.340 -0.000 0.000 0.271 85 Q C -0.697 175.014 176.000 -0.481 0.000 1.048 85 Q CA -0.715 54.774 55.803 -0.523 0.000 0.792 85 Q CB 2.923 31.399 28.738 -0.436 0.000 1.280 85 Q HN 0.719 nan 8.270 nan 0.000 0.441 86 T N -1.124 113.226 114.554 -0.340 0.000 2.859 86 T HA 0.761 5.111 4.350 -0.000 0.000 0.281 86 T C -0.674 173.766 174.700 -0.432 0.000 1.005 86 T CA -0.504 61.557 62.100 -0.066 0.000 1.025 86 T CB 0.617 69.579 68.868 0.157 0.000 0.977 86 T HN 0.307 nan 8.240 nan 0.000 0.458 87 F N 1.111 121.180 119.950 0.199 0.000 2.507 87 F HA 0.512 5.039 4.527 -0.000 0.000 0.328 87 F C 1.086 176.996 175.800 0.183 0.000 1.136 87 F CA -0.988 57.105 58.000 0.156 0.000 0.930 87 F CB 2.448 41.527 39.000 0.132 0.000 1.166 87 F HN 0.600 nan 8.300 nan 0.000 0.436 88 K N 1.725 122.295 120.400 0.283 0.000 2.360 88 K HA 0.376 4.696 4.320 -0.000 0.000 0.196 88 K C 0.586 177.300 176.600 0.190 0.000 1.049 88 K CA -0.104 56.322 56.287 0.232 0.000 1.049 88 K CB 0.759 33.370 32.500 0.185 0.000 0.881 88 K HN 0.606 nan 8.250 nan 0.000 0.542 89 A N 2.128 125.055 122.820 0.178 0.000 2.566 89 A HA 0.001 4.321 4.320 -0.000 0.000 0.245 89 A C 0.041 177.693 177.584 0.114 0.000 1.056 89 A CA 0.378 52.485 52.037 0.116 0.000 0.757 89 A CB -0.322 18.730 19.000 0.087 0.000 0.979 89 A HN 0.516 nan 8.150 nan 0.000 0.508 90 R N 0.259 120.813 120.500 0.090 0.000 3.758 90 R HA -0.275 4.065 4.340 -0.000 0.000 0.299 90 R C 1.291 177.715 176.300 0.207 0.000 1.182 90 R CA 1.295 57.447 56.100 0.087 0.000 0.809 90 R CB -1.872 28.438 30.300 0.016 0.000 1.249 90 R HN 1.042 nan 8.270 nan 0.000 0.497 91 Q N -0.103 119.840 119.800 0.238 0.000 2.311 91 Q HA 0.023 4.363 4.340 -0.000 0.000 0.203 91 Q C 1.155 177.355 176.000 0.333 0.000 0.954 91 Q CA 1.048 57.039 55.803 0.313 0.000 0.885 91 Q CB 0.346 29.226 28.738 0.237 0.000 0.963 91 Q HN 0.430 nan 8.270 nan 0.000 0.471 92 G N 1.775 110.730 108.800 0.259 0.000 2.248 92 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.263 92 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.263 92 G C -0.343 174.546 174.900 -0.019 0.000 1.082 92 G CA 0.052 45.279 45.100 0.210 0.000 0.863 92 G HN 0.410 nan 8.290 nan 0.000 0.495 93 L N 0.155 121.355 121.223 -0.038 0.000 2.584 93 L HA 0.481 4.821 4.340 -0.000 0.000 0.272 93 L C 1.503 178.302 176.870 -0.119 0.000 1.195 93 L CA 1.953 56.715 54.840 -0.129 0.000 0.920 93 L CB 0.376 42.286 42.059 -0.247 0.000 1.173 93 L HN 1.720 nan 8.230 nan 0.000 0.489 94 G N 2.858 111.581 108.800 -0.127 0.000 2.159 94 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.227 94 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.227 94 G C 0.878 175.752 174.900 -0.043 0.000 0.986 94 G CA 0.304 45.362 45.100 -0.070 0.000 0.651 94 G HN 1.296 nan 8.290 nan 0.000 0.523 95 A N -0.341 122.396 122.820 -0.139 0.000 2.019 95 A HA 0.479 4.799 4.320 -0.000 0.000 0.219 95 A C 1.643 179.255 177.584 0.047 0.000 1.164 95 A CA 2.355 54.310 52.037 -0.136 0.000 0.644 95 A CB -0.221 18.499 19.000 -0.466 0.000 0.805 95 A HN 2.151 nan 8.150 nan 0.000 0.449 96 S N -1.390 114.266 115.700 -0.072 0.000 2.540 96 S HA 0.634 5.104 4.470 -0.000 0.000 0.275 96 S C -0.834 173.734 174.600 -0.054 0.000 1.123 96 S CA -0.062 58.102 58.200 -0.062 0.000 0.907 96 S CB 1.638 64.766 63.200 -0.121 0.000 1.081 96 S HN 1.335 nan 8.310 nan 0.000 0.476 97 V N -0.425 119.468 119.914 -0.035 0.000 2.971 97 V HA 1.006 5.126 4.120 -0.000 0.000 0.309 97 V C -0.883 175.206 176.094 -0.008 0.000 1.130 97 V CA -0.749 61.538 62.300 -0.022 0.000 0.964 97 V CB 1.138 32.950 31.823 -0.017 0.000 1.029 97 V HN 1.268 nan 8.190 nan 0.000 0.427 98 V N 2.191 122.118 119.914 0.021 0.000 2.969 98 V HA 0.789 4.909 4.120 -0.000 0.000 0.304 98 V C -0.564 175.599 176.094 0.115 0.000 1.192 98 V CA 0.418 62.753 62.300 0.058 0.000 0.962 98 V CB 2.442 34.291 31.823 0.043 0.000 1.045 98 V HN 1.481 nan 8.190 nan 0.000 0.428 99 S N 5.510 121.312 115.700 0.169 0.000 2.501 99 S HA 0.809 5.279 4.470 -0.000 0.000 0.301 99 S C -1.601 173.195 174.600 0.327 0.000 1.096 99 S CA -0.415 57.939 58.200 0.256 0.000 1.063 99 S CB 1.280 64.674 63.200 0.323 0.000 1.042 99 S HN 0.991 nan 8.310 nan 0.000 0.494 100 W N 4.399 125.780 121.300 0.135 0.000 3.211 100 W HA 0.518 5.178 4.660 -0.000 0.000 0.335 100 W C 0.176 176.750 176.519 0.091 0.000 1.113 100 W CA 0.383 57.783 57.345 0.091 0.000 1.235 100 W CB 1.062 30.560 29.460 0.063 0.000 1.365 100 W HN 0.960 nan 8.180 nan 0.000 0.476 101 S N 2.600 117.807 115.700 -0.822 0.000 3.938 101 S HA -0.369 4.100 4.470 -0.000 0.000 0.624 101 S C 0.714 175.148 174.600 -0.276 0.000 2.186 101 S CA 2.168 59.907 58.200 -0.768 0.000 4.144 101 S CB -1.120 61.294 63.200 -1.309 0.000 0.230 101 S HN 0.986 nan 8.310 nan 0.000 0.755 102 D N 1.601 121.899 120.400 -0.171 0.000 2.395 102 D HA 0.393 5.033 4.640 -0.000 0.000 0.226 102 D C 0.150 176.579 176.300 0.215 0.000 1.146 102 D CA 0.037 54.060 54.000 0.038 0.000 0.830 102 D CB -0.237 40.533 40.800 -0.050 0.000 0.958 102 D HN 0.364 nan 8.370 nan 0.000 0.501 103 V N 0.794 120.853 119.914 0.242 0.000 2.581 103 V HA 0.412 4.532 4.120 -0.000 0.000 0.303 103 V C 0.187 176.436 176.094 0.257 0.000 1.041 103 V CA -0.877 61.590 62.300 0.278 0.000 0.907 103 V CB 2.152 34.214 31.823 0.397 0.000 0.994 103 V HN 0.070 nan 8.190 nan 0.000 0.442 104 I N 3.776 124.444 120.570 0.164 0.000 2.493 104 I HA 0.529 4.699 4.170 -0.000 0.000 0.298 104 I C -0.853 175.363 176.117 0.165 0.000 0.998 104 I CA -0.840 60.521 61.300 0.101 0.000 1.137 104 I CB 2.200 40.181 38.000 -0.031 0.000 1.310 104 I HN 0.252 nan 8.210 nan 0.000 0.445 105 V N 5.266 125.249 119.914 0.115 0.000 2.376 105 V HA 0.637 4.757 4.120 -0.000 0.000 0.287 105 V C -0.042 176.057 176.094 0.010 0.000 1.015 105 V CA -0.507 61.830 62.300 0.063 0.000 0.834 105 V CB 1.354 33.200 31.823 0.038 0.000 1.001 105 V HN 0.803 nan 8.190 nan 0.000 0.428 106 A N 4.232 127.027 122.820 -0.041 0.000 2.318 106 A HA 0.772 5.092 4.320 -0.000 0.000 0.317 106 A C -0.420 177.100 177.584 -0.106 0.000 1.159 106 A CA -0.343 51.632 52.037 -0.103 0.000 0.799 106 A CB 1.024 19.920 19.000 -0.174 0.000 1.194 106 A HN 0.809 nan 8.150 nan 0.000 0.479 107 c N 1.362 119.901 118.600 -0.101 0.000 2.454 107 c HA 0.853 5.423 4.570 -0.000 0.000 0.336 107 c C 0.818 174.831 174.090 -0.129 0.000 1.189 107 c CA -0.163 56.105 56.329 -0.102 0.000 1.877 107 c CB 1.333 43.753 42.510 -0.150 0.000 2.348 107 c HN 1.032 nan 8.230 nan 0.000 0.508 108 A N 2.979 125.740 122.820 -0.098 0.000 2.842 108 A HA 0.539 4.859 4.320 -0.000 0.000 0.339 108 A C -1.675 175.767 177.584 -0.236 0.000 1.177 108 A CA -0.854 51.123 52.037 -0.100 0.000 0.797 108 A CB 0.221 19.306 19.000 0.142 0.000 1.094 108 A HN 0.699 nan 8.150 nan 0.000 0.474 109 P HA -0.078 nan 4.420 nan 0.000 0.223 109 P C 0.353 177.304 177.300 -0.582 0.000 1.151 109 P CA 0.937 63.645 63.100 -0.653 0.000 0.787 109 P CB 0.103 31.204 31.700 -0.998 0.000 0.788 110 W N 0.349 121.653 121.300 0.006 0.000 3.223 110 W HA 0.326 4.986 4.660 -0.000 0.000 0.389 110 W C 0.593 177.184 176.519 0.120 0.000 1.118 110 W CA -0.598 56.770 57.345 0.038 0.000 1.902 110 W CB -0.877 28.636 29.460 0.087 0.000 1.094 110 W HN 0.107 nan 8.180 nan 0.000 0.666 111 Q N 1.382 121.293 119.800 0.186 0.000 2.274 111 Q HA -0.012 4.328 4.340 -0.000 0.000 0.280 111 Q C -0.520 175.619 176.000 0.232 0.000 1.047 111 Q CA 0.755 56.707 55.803 0.247 0.000 0.907 111 Q CB 0.574 29.403 28.738 0.150 0.000 1.171 111 Q HN 0.141 nan 8.270 nan 0.000 0.381 112 H N 2.682 121.927 119.070 0.292 0.000 2.517 112 H HA 0.520 5.076 4.556 -0.000 0.000 0.346 112 H C -1.135 174.514 175.328 0.534 0.000 1.222 112 H CA -0.196 56.056 56.048 0.340 0.000 1.314 112 H CB 0.992 30.899 29.762 0.243 0.000 1.609 112 H HN 0.679 nan 8.280 nan 0.000 0.571 113 W N 1.657 123.185 121.300 0.380 0.000 3.479 113 W HA 0.313 4.973 4.660 -0.000 0.000 0.304 113 W C -2.029 174.656 176.519 0.277 0.000 1.243 113 W CA -0.349 57.166 57.345 0.283 0.000 1.202 113 W CB 2.004 31.514 29.460 0.083 0.000 1.346 113 W HN 0.558 nan 8.180 nan 0.000 0.539 114 N N 2.344 120.814 118.700 -0.384 0.000 2.494 114 N HA 0.691 5.431 4.740 -0.000 0.000 0.270 114 N C -2.150 172.950 175.510 -0.683 0.000 1.285 114 N CA -0.376 52.471 53.050 -0.338 0.000 0.812 114 N CB 2.645 41.149 38.487 0.030 0.000 1.557 114 N HN 0.136 nan 8.380 nan 0.000 0.487 115 V N 2.052 121.755 119.914 -0.353 0.000 2.623 115 V HA 0.534 4.654 4.120 -0.000 0.000 0.304 115 V C -0.498 175.537 176.094 -0.100 0.000 1.054 115 V CA -0.705 61.438 62.300 -0.261 0.000 0.882 115 V CB 1.637 33.375 31.823 -0.141 0.000 1.002 115 V HN 0.480 nan 8.190 nan 0.000 0.424 116 L N 3.348 124.523 121.223 -0.081 0.000 2.334 116 L HA 0.779 5.119 4.340 -0.000 0.000 0.273 116 L C -0.222 176.637 176.870 -0.019 0.000 1.013 116 L CA -0.451 54.369 54.840 -0.032 0.000 0.816 116 L CB 1.991 44.036 42.059 -0.024 0.000 1.278 116 L HN 0.723 nan 8.230 nan 0.000 0.431 117 E N 3.217 123.414 120.200 -0.004 0.000 2.448 117 E HA 0.241 4.591 4.350 -0.000 0.000 0.288 117 E C -0.793 175.810 176.600 0.004 0.000 0.936 117 E CA -0.343 56.057 56.400 0.000 0.000 0.809 117 E CB 0.950 30.652 29.700 0.004 0.000 1.408 117 E HN 0.645 nan 8.360 nan 0.000 0.393 118 K N -0.021 120.381 120.400 0.003 0.000 1.692 118 K HA -0.304 4.016 4.320 -0.000 0.000 0.132 118 K C 1.146 177.751 176.600 0.008 0.000 1.028 118 K CA 2.334 58.624 56.287 0.005 0.000 0.304 118 K CB -1.631 30.873 32.500 0.006 0.000 0.686 118 K HN 0.651 nan 8.250 nan 0.000 0.815 119 T N -0.017 114.544 114.554 0.011 0.000 3.081 119 T HA 0.112 4.462 4.350 -0.000 0.000 0.255 119 T C 0.601 175.312 174.700 0.019 0.000 1.113 119 T CA 0.543 62.652 62.100 0.014 0.000 1.082 119 T CB 0.016 68.892 68.868 0.014 0.000 0.939 119 T HN 0.360 nan 8.240 nan 0.000 0.506 120 E N 1.152 121.364 120.200 0.019 0.000 2.302 120 E HA 0.601 4.951 4.350 -0.000 0.000 0.255 120 E C -0.213 176.404 176.600 0.028 0.000 1.099 120 E CA -0.932 55.484 56.400 0.028 0.000 0.929 120 E CB 0.936 30.653 29.700 0.028 0.000 1.203 120 E HN 0.694 nan 8.360 nan 0.000 0.459 121 E N -1.286 118.940 120.200 0.043 0.000 2.429 121 E HA 0.484 4.834 4.350 -0.000 0.000 0.280 121 E C -0.644 176.004 176.600 0.080 0.000 1.068 121 E CA -0.735 55.690 56.400 0.043 0.000 0.837 121 E CB 0.779 30.499 29.700 0.034 0.000 1.357 121 E HN 0.390 nan 8.360 nan 0.000 0.455 122 A N 0.869 123.739 122.820 0.083 0.000 2.016 122 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 122 A C 0.125 177.793 177.584 0.140 0.000 1.162 122 A CA 1.514 53.644 52.037 0.155 0.000 0.662 122 A CB -0.651 18.450 19.000 0.168 0.000 0.812 122 A HN 0.631 nan 8.150 nan 0.000 0.450 123 E N -2.009 118.250 120.200 0.099 0.000 7.576 123 E HA -0.085 4.265 4.350 -0.000 0.000 0.451 123 E C -0.777 175.885 176.600 0.104 0.000 0.533 123 E CA 0.068 56.531 56.400 0.104 0.000 1.249 123 E CB -0.374 29.413 29.700 0.145 0.000 0.953 123 E HN 0.441 nan 8.360 nan 0.000 0.262 124 K N 2.786 123.238 120.400 0.086 0.000 2.278 124 K HA 0.219 4.539 4.320 -0.000 0.000 0.289 124 K C -0.493 176.249 176.600 0.237 0.000 1.080 124 K CA 0.539 56.887 56.287 0.101 0.000 0.934 124 K CB 0.263 32.722 32.500 -0.067 0.000 1.093 124 K HN 0.457 nan 8.250 nan 0.000 0.459 125 T N 0.800 115.515 114.554 0.269 0.000 2.906 125 T HA 0.488 4.838 4.350 -0.000 0.000 0.295 125 T C -2.819 171.828 174.700 -0.088 0.000 1.075 125 T CA -2.205 60.014 62.100 0.198 0.000 1.005 125 T CB 1.920 70.891 68.868 0.171 0.000 1.136 125 T HN 0.296 nan 8.240 nan 0.000 0.498 126 P HA 0.231 nan 4.420 nan 0.000 0.241 126 P C 1.310 178.485 177.300 -0.209 0.000 1.780 126 P CA -0.567 62.231 63.100 -0.504 0.000 1.111 126 P CB 0.298 31.768 31.700 -0.383 0.000 1.852 127 V N 0.311 120.123 119.914 -0.169 0.000 2.809 127 V HA 0.193 4.313 4.120 -0.000 0.000 0.256 127 V C 1.048 176.990 176.094 -0.253 0.000 1.080 127 V CA 0.924 63.084 62.300 -0.233 0.000 1.102 127 V CB -1.915 29.733 31.823 -0.291 0.000 0.705 127 V HN 0.657 nan 8.190 nan 0.000 0.475 128 G N -0.451 108.230 108.800 -0.199 0.000 2.829 128 G HA2 0.072 4.032 3.960 -0.000 0.000 0.628 128 G HA3 0.072 4.032 3.960 -0.000 0.000 0.628 128 G C -0.347 174.402 174.900 -0.250 0.000 1.412 128 G CA 0.034 45.005 45.100 -0.215 0.000 0.864 128 G HN 1.564 nan 8.290 nan 0.000 0.544 129 S N -1.767 113.782 115.700 -0.251 0.000 2.558 129 S HA 0.579 5.049 4.470 -0.000 0.000 0.277 129 S C -0.535 173.868 174.600 -0.328 0.000 1.143 129 S CA 0.131 58.128 58.200 -0.338 0.000 0.865 129 S CB 1.054 64.028 63.200 -0.377 0.000 1.102 129 S HN 1.499 nan 8.310 nan 0.000 0.454 130 c N 3.522 121.907 118.600 -0.357 0.000 2.411 130 c HA 0.732 5.302 4.570 -0.000 0.000 0.330 130 c C -0.890 172.941 174.090 -0.432 0.000 1.224 130 c CA -0.588 55.585 56.329 -0.261 0.000 1.770 130 c CB -0.108 42.330 42.510 -0.119 0.000 2.297 130 c HN 0.746 nan 8.230 nan 0.000 0.507 131 F N 2.991 122.747 119.950 -0.323 0.000 2.427 131 F HA 0.643 5.170 4.527 -0.000 0.000 0.346 131 F C -0.020 175.615 175.800 -0.274 0.000 1.120 131 F CA -0.579 57.176 58.000 -0.408 0.000 1.033 131 F CB 0.788 39.246 39.000 -0.903 0.000 1.126 131 F HN 0.196 nan 8.300 nan 0.000 0.462 132 L N 3.403 124.615 121.223 -0.018 0.000 2.325 132 L HA 0.857 5.197 4.340 -0.000 0.000 0.278 132 L C -0.268 176.793 176.870 0.318 0.000 1.023 132 L CA -0.527 54.351 54.840 0.063 0.000 0.811 132 L CB 1.784 43.682 42.059 -0.268 0.000 1.249 132 L HN 0.719 nan 8.230 nan 0.000 0.431 133 A N 2.363 125.441 122.820 0.430 0.000 2.422 133 A HA 0.653 4.973 4.320 -0.000 0.000 0.302 133 A C -1.048 176.710 177.584 0.289 0.000 1.041 133 A CA -0.521 51.733 52.037 0.362 0.000 0.708 133 A CB 1.520 20.651 19.000 0.218 0.000 1.257 133 A HN 0.644 nan 8.150 nan 0.000 0.414 134 Q N 3.211 123.129 119.800 0.197 0.000 2.506 134 Q HA 0.355 4.695 4.340 -0.000 0.000 0.242 134 Q C -2.057 173.966 176.000 0.039 0.000 1.060 134 Q CA -2.074 53.770 55.803 0.068 0.000 0.826 134 Q CB 1.150 29.844 28.738 -0.074 0.000 1.169 134 Q HN 0.453 nan 8.270 nan 0.000 0.521 135 P HA -0.201 nan 4.420 nan 0.000 0.216 135 P C 0.192 177.507 177.300 0.026 0.000 1.153 135 P CA 1.400 64.506 63.100 0.010 0.000 0.858 135 P CB 0.346 32.059 31.700 0.022 0.000 0.789 136 E N -0.625 119.604 120.200 0.048 0.000 2.150 136 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 136 E C 1.983 178.595 176.600 0.019 0.000 0.985 136 E CA 1.569 57.995 56.400 0.043 0.000 0.814 136 E CB -0.300 29.430 29.700 0.049 0.000 0.752 136 E HN 0.354 nan 8.360 nan 0.000 0.466 137 S N -1.239 114.463 115.700 0.004 0.000 2.486 137 S HA 0.178 4.648 4.470 -0.000 0.000 0.220 137 S C 1.732 176.334 174.600 0.004 0.000 1.011 137 S CA 0.438 58.635 58.200 -0.004 0.000 0.921 137 S CB 0.696 63.880 63.200 -0.026 0.000 0.785 137 S HN 0.341 nan 8.310 nan 0.000 0.517 138 G N 1.442 110.245 108.800 0.005 0.000 2.176 138 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.253 138 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.253 138 G C 0.166 175.087 174.900 0.035 0.000 0.979 138 G CA -0.031 45.072 45.100 0.004 0.000 0.641 138 G HN 0.561 nan 8.290 nan 0.000 0.530 139 R N 0.175 120.710 120.500 0.060 0.000 2.643 139 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 139 R C 0.258 176.711 176.300 0.254 0.000 1.061 139 R CA 0.103 56.286 56.100 0.139 0.000 1.107 139 R CB 0.343 30.700 30.300 0.095 0.000 0.999 139 R HN 0.136 nan 8.270 nan 0.000 0.460 140 R N 0.246 120.919 120.500 0.288 0.000 2.673 140 R HA 0.673 5.013 4.340 -0.000 0.000 0.281 140 R C -1.149 175.154 176.300 0.006 0.000 0.991 140 R CA -0.822 55.408 56.100 0.218 0.000 0.896 140 R CB 2.323 32.720 30.300 0.161 0.000 1.201 140 R HN 0.772 nan 8.270 nan 0.000 0.457 141 A N 1.368 123.960 122.820 -0.380 0.000 2.602 141 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 141 A C -1.354 175.679 177.584 -0.918 0.000 1.114 141 A CA -0.694 50.724 52.037 -1.032 0.000 0.683 141 A CB 2.010 20.349 19.000 -1.102 0.000 1.281 141 A HN 0.624 nan 8.150 nan 0.000 0.416 142 E N -0.966 118.591 120.200 -1.071 0.000 2.392 142 E HA 0.582 4.932 4.350 -0.000 0.000 0.269 142 E C -2.186 174.424 176.600 0.017 0.000 0.924 142 E CA -0.570 55.527 56.400 -0.505 0.000 0.784 142 E CB 2.669 32.099 29.700 -0.450 0.000 1.292 142 E HN 0.537 nan 8.360 nan 0.000 0.447 143 Y N 0.465 120.649 120.300 -0.194 0.000 2.362 143 Y HA 0.381 4.931 4.550 -0.000 0.000 0.326 143 Y C -1.339 174.390 175.900 -0.284 0.000 1.083 143 Y CA -0.750 57.262 58.100 -0.146 0.000 1.073 143 Y CB 2.046 40.400 38.460 -0.177 0.000 1.211 143 Y HN 0.412 nan 8.280 nan 0.000 0.433 144 S N 8.413 123.662 115.700 -0.751 0.000 2.293 144 S HA 0.309 4.779 4.470 -0.000 0.000 0.154 144 S C -2.236 171.818 174.600 -0.910 0.000 1.602 144 S CA -1.012 56.731 58.200 -0.762 0.000 1.260 144 S CB 0.594 63.445 63.200 -0.582 0.000 1.270 144 S HN 0.597 nan 8.310 nan 0.000 0.416 145 P HA 0.091 nan 4.420 nan 0.000 0.230 145 P C 0.890 177.864 177.300 -0.543 0.000 1.158 145 P CA 0.573 63.193 63.100 -0.800 0.000 0.769 145 P CB -0.130 31.116 31.700 -0.757 0.000 0.807 146 c N -0.735 117.544 118.600 -0.536 0.000 2.799 146 c HA 0.237 4.807 4.570 -0.000 0.000 0.267 146 c C 1.362 175.176 174.090 -0.460 0.000 1.257 146 c CA -0.466 55.604 56.329 -0.431 0.000 1.702 146 c CB -1.243 41.025 42.510 -0.404 0.000 1.934 146 c HN 0.183 nan 8.230 nan 0.000 0.594 147 R N 1.256 121.357 120.500 -0.665 0.000 2.570 147 R HA 0.405 4.745 4.340 -0.000 0.000 0.277 147 R C 0.495 176.532 176.300 -0.439 0.000 1.039 147 R CA 0.595 56.142 56.100 -0.921 0.000 1.065 147 R CB 0.225 29.644 30.300 -1.468 0.000 0.964 147 R HN 0.532 nan 8.270 nan 0.000 0.428 148 G N 0.620 109.370 108.800 -0.085 0.000 2.733 148 G HA2 0.202 4.162 3.960 -0.000 0.000 0.288 148 G HA3 0.202 4.162 3.960 -0.000 0.000 0.288 148 G C -0.579 174.526 174.900 0.340 0.000 1.373 148 G CA -0.705 44.465 45.100 0.117 0.000 0.895 148 G HN 0.679 nan 8.290 nan 0.000 0.479 149 N N -1.024 117.805 118.700 0.215 0.000 2.365 149 N HA 0.147 4.887 4.740 -0.000 0.000 0.257 149 N C -0.219 175.359 175.510 0.113 0.000 1.287 149 N CA -0.305 52.859 53.050 0.189 0.000 0.882 149 N CB 0.697 39.270 38.487 0.145 0.000 1.250 149 N HN 0.245 nan 8.380 nan 0.000 0.507 150 T N 1.460 116.084 114.554 0.117 0.000 2.856 150 T HA 0.394 4.744 4.350 -0.000 0.000 0.292 150 T C 0.533 175.297 174.700 0.106 0.000 0.980 150 T CA -0.440 61.663 62.100 0.006 0.000 1.091 150 T CB 1.299 70.021 68.868 -0.243 0.000 0.936 150 T HN 0.099 nan 8.240 nan 0.000 0.503 151 L N 1.780 123.026 121.223 0.038 0.000 2.439 151 L HA 0.272 4.612 4.340 -0.000 0.000 0.261 151 L C 2.050 179.012 176.870 0.155 0.000 1.153 151 L CA -0.462 54.435 54.840 0.095 0.000 0.808 151 L CB 0.660 42.745 42.059 0.043 0.000 1.126 151 L HN 0.684 nan 8.230 nan 0.000 0.460 152 S N 0.990 116.810 115.700 0.201 0.000 2.368 152 S HA -0.260 4.210 4.470 -0.000 0.000 0.226 152 S C 2.053 176.745 174.600 0.154 0.000 1.044 152 S CA 2.101 60.447 58.200 0.245 0.000 1.062 152 S CB -0.241 63.063 63.200 0.173 0.000 0.931 152 S HN 0.708 nan 8.310 nan 0.000 0.440 153 R N 0.359 120.903 120.500 0.073 0.000 2.117 153 R HA -0.107 4.233 4.340 -0.000 0.000 0.243 153 R C 2.183 178.458 176.300 -0.041 0.000 1.143 153 R CA 1.988 58.099 56.100 0.018 0.000 0.968 153 R CB -0.470 29.838 30.300 0.014 0.000 0.863 153 R HN 0.538 nan 8.270 nan 0.000 0.444 154 I N -0.130 120.394 120.570 -0.076 0.000 2.353 154 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 154 I C 1.682 177.657 176.117 -0.235 0.000 1.119 154 I CA 1.058 62.257 61.300 -0.169 0.000 1.417 154 I CB -0.319 37.540 38.000 -0.234 0.000 1.078 154 I HN 0.169 nan 8.210 nan 0.000 0.421 155 Y N 0.294 120.491 120.300 -0.172 0.000 2.181 155 Y HA -0.207 4.343 4.550 -0.000 0.000 0.288 155 Y C 2.592 178.071 175.900 -0.702 0.000 1.146 155 Y CA 1.222 59.124 58.100 -0.330 0.000 1.164 155 Y CB -0.972 37.320 38.460 -0.279 0.000 0.982 155 Y HN -0.104 nan 8.280 nan 0.000 0.515 156 V N -0.015 119.587 119.914 -0.521 0.000 2.392 156 V HA -0.303 3.817 4.120 -0.000 0.000 0.249 156 V C 2.143 178.114 176.094 -0.205 0.000 1.059 156 V CA 2.131 64.138 62.300 -0.488 0.000 1.051 156 V CB -0.512 31.232 31.823 -0.133 0.000 0.658 156 V HN 0.393 nan 8.190 nan 0.000 0.455 157 E N 0.109 120.225 120.200 -0.139 0.000 2.150 157 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 157 E C 0.985 177.552 176.600 -0.054 0.000 0.985 157 E CA 1.133 57.491 56.400 -0.070 0.000 0.814 157 E CB -0.005 29.657 29.700 -0.063 0.000 0.752 157 E HN 0.636 nan 8.360 nan 0.000 0.466 158 N N 0.804 119.458 118.700 -0.076 0.000 2.389 158 N HA 0.039 4.779 4.740 -0.000 0.000 0.260 158 N C -1.304 174.218 175.510 0.020 0.000 1.191 158 N CA 0.031 53.072 53.050 -0.016 0.000 0.885 158 N CB 0.902 39.389 38.487 -0.000 0.000 1.162 158 N HN -0.016 nan 8.380 nan 0.000 0.512 159 D N 0.469 120.882 120.400 0.022 0.000 2.751 159 D HA -0.243 4.397 4.640 -0.000 0.000 0.233 159 D C -0.545 175.914 176.300 0.265 0.000 1.149 159 D CA 0.570 54.661 54.000 0.152 0.000 0.682 159 D CB -1.283 39.578 40.800 0.101 0.000 1.068 159 D HN 0.337 nan 8.370 nan 0.000 0.429 160 F N -1.743 118.265 119.950 0.097 0.000 3.093 160 F HA -0.295 4.232 4.527 -0.000 0.000 0.287 160 F C 1.049 176.921 175.800 0.121 0.000 0.882 160 F CA 0.890 58.988 58.000 0.163 0.000 1.063 160 F CB -2.295 36.732 39.000 0.045 0.000 1.097 160 F HN -0.083 nan 8.300 nan 0.000 0.604 161 S N -1.334 114.479 115.700 0.189 0.000 2.576 161 S HA 0.212 4.682 4.470 -0.000 0.000 0.276 161 S C 0.084 174.806 174.600 0.203 0.000 1.339 161 S CA 0.065 58.273 58.200 0.014 0.000 1.039 161 S CB 0.214 63.447 63.200 0.055 0.000 0.902 161 S HN 0.459 nan 8.310 nan 0.000 0.516 162 W N 0.266 121.618 121.300 0.086 0.000 6.170 162 W HA -0.188 4.472 4.660 -0.000 0.000 0.394 162 W C -0.184 176.569 176.519 0.390 0.000 1.480 162 W CA 0.062 57.525 57.345 0.197 0.000 1.027 162 W CB -1.581 27.945 29.460 0.108 0.000 2.638 162 W HN 0.575 nan 8.180 nan 0.000 1.547 163 D N 1.094 121.778 120.400 0.473 0.000 2.441 163 D HA 0.172 4.812 4.640 -0.000 0.000 0.221 163 D C 0.855 177.104 176.300 -0.086 0.000 1.156 163 D CA -0.037 54.073 54.000 0.182 0.000 0.896 163 D CB 0.547 41.449 40.800 0.170 0.000 1.028 163 D HN 0.251 nan 8.370 nan 0.000 0.509 164 K N 2.576 122.883 120.400 -0.155 0.000 2.410 164 K HA 0.171 4.491 4.320 -0.000 0.000 0.200 164 K C 1.519 177.813 176.600 -0.510 0.000 1.023 164 K CA -0.211 55.871 56.287 -0.342 0.000 1.149 164 K CB 0.855 33.216 32.500 -0.232 0.000 0.859 164 K HN 0.206 nan 8.250 nan 0.000 0.514 165 R N 0.051 120.065 120.500 -0.810 0.000 2.148 165 R HA -0.087 4.253 4.340 -0.000 0.000 0.223 165 R C 0.556 176.406 176.300 -0.751 0.000 1.088 165 R CA 1.194 56.807 56.100 -0.812 0.000 0.985 165 R CB 0.042 29.765 30.300 -0.961 0.000 0.880 165 R HN 0.281 nan 8.270 nan 0.000 0.451 166 Y N -2.581 117.513 120.300 -0.344 0.000 2.681 166 Y HA 0.211 4.761 4.550 -0.000 0.000 0.267 166 Y C 1.645 177.348 175.900 -0.328 0.000 1.166 166 Y CA -1.352 56.535 58.100 -0.355 0.000 1.209 166 Y CB -0.899 37.223 38.460 -0.563 0.000 1.161 166 Y HN -0.067 nan 8.280 nan 0.000 0.534 167 c N 0.933 119.349 118.600 -0.307 0.000 2.363 167 c HA -0.291 4.279 4.570 -0.000 0.000 0.274 167 c C 1.435 175.402 174.090 -0.204 0.000 1.183 167 c CA 2.077 58.236 56.329 -0.283 0.000 1.771 167 c CB -0.814 41.499 42.510 -0.328 0.000 2.059 167 c HN 0.745 nan 8.230 nan 0.000 0.455 168 E N -0.829 119.263 120.200 -0.180 0.000 2.320 168 E HA -0.230 4.120 4.350 -0.000 0.000 0.234 168 E C 0.151 176.641 176.600 -0.184 0.000 1.183 168 E CA 0.044 56.345 56.400 -0.164 0.000 0.713 168 E CB -1.483 28.183 29.700 -0.056 0.000 1.226 168 E HN 0.789 nan 8.360 nan 0.000 0.382 169 A N 0.207 122.887 122.820 -0.232 0.000 2.567 169 A HA 0.357 4.677 4.320 -0.000 0.000 0.240 169 A C 1.670 179.127 177.584 -0.211 0.000 1.053 169 A CA 1.155 53.052 52.037 -0.234 0.000 0.755 169 A CB 0.087 18.898 19.000 -0.315 0.000 0.978 169 A HN 1.106 nan 8.150 nan 0.000 0.507 170 G N 1.309 110.015 108.800 -0.158 0.000 2.176 170 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.232 170 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.232 170 G C 0.768 175.576 174.900 -0.154 0.000 0.986 170 G CA 0.736 45.745 45.100 -0.152 0.000 0.643 170 G HN 1.199 nan 8.290 nan 0.000 0.522 171 F N 2.712 122.473 119.950 -0.315 0.000 2.115 171 F HA 0.050 4.577 4.527 -0.000 0.000 0.300 171 F C 1.771 177.424 175.800 -0.245 0.000 1.092 171 F CA 2.499 60.298 58.000 -0.335 0.000 1.245 171 F CB 0.019 38.825 39.000 -0.323 0.000 0.995 171 F HN 0.574 nan 8.300 nan 0.000 0.481 172 S N -1.173 114.562 115.700 0.058 0.000 2.634 172 S HA 0.739 5.209 4.470 -0.000 0.000 0.296 172 S C -0.558 174.000 174.600 -0.070 0.000 1.104 172 S CA -0.104 58.080 58.200 -0.026 0.000 0.920 172 S CB 1.978 65.182 63.200 0.008 0.000 1.111 172 S HN 0.406 nan 8.310 nan 0.000 0.493 173 S N -0.453 115.199 115.700 -0.081 0.000 2.547 173 S HA 0.835 5.305 4.470 -0.000 0.000 0.270 173 S C -1.281 173.271 174.600 -0.079 0.000 1.150 173 S CA -0.691 57.458 58.200 -0.086 0.000 0.850 173 S CB 1.199 64.354 63.200 -0.075 0.000 1.118 173 S HN 1.934 nan 8.310 nan 0.000 0.461 174 V N 0.890 120.748 119.914 -0.093 0.000 3.167 174 V HA 0.727 4.847 4.120 -0.000 0.000 0.293 174 V C -1.832 174.204 176.094 -0.096 0.000 1.379 174 V CA -0.502 61.755 62.300 -0.072 0.000 1.019 174 V CB 2.059 33.835 31.823 -0.077 0.000 1.115 174 V HN 1.154 nan 8.190 nan 0.000 0.442 175 V N 3.807 123.684 119.914 -0.061 0.000 2.495 175 V HA 0.606 4.726 4.120 -0.000 0.000 0.298 175 V C 0.454 176.484 176.094 -0.106 0.000 1.031 175 V CA -0.060 62.153 62.300 -0.146 0.000 0.871 175 V CB 1.926 33.639 31.823 -0.184 0.000 0.988 175 V HN 1.100 nan 8.190 nan 0.000 0.432 176 T N 1.066 115.526 114.554 -0.156 0.000 2.813 176 T HA 0.148 4.498 4.350 -0.000 0.000 0.297 176 T C 0.916 175.607 174.700 -0.015 0.000 1.036 176 T CA -0.167 61.906 62.100 -0.045 0.000 1.044 176 T CB 0.851 69.709 68.868 -0.017 0.000 0.993 176 T HN 0.662 nan 8.240 nan 0.000 0.535 177 Q N 0.778 120.651 119.800 0.122 0.000 2.181 177 Q HA -0.097 4.243 4.340 -0.000 0.000 0.205 177 Q C 2.495 178.670 176.000 0.291 0.000 0.980 177 Q CA 1.440 57.402 55.803 0.264 0.000 0.862 177 Q CB -0.461 28.386 28.738 0.181 0.000 0.905 177 Q HN 0.929 nan 8.270 nan 0.000 0.429 178 A N -0.004 122.880 122.820 0.106 0.000 2.168 178 A HA 0.179 4.499 4.320 -0.000 0.000 0.215 178 A C 1.417 178.952 177.584 -0.082 0.000 1.152 178 A CA 1.003 53.081 52.037 0.069 0.000 0.716 178 A CB -0.181 18.826 19.000 0.013 0.000 0.794 178 A HN 0.466 nan 8.150 nan 0.000 0.465 179 G N -0.548 107.985 108.800 -0.446 0.000 2.141 179 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.195 179 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.195 179 G C -0.436 174.002 174.900 -0.770 0.000 1.012 179 G CA 0.037 44.358 45.100 -1.299 0.000 0.696 179 G HN 0.575 nan 8.290 nan 0.000 0.508 180 E N -0.188 119.734 120.200 -0.463 0.000 2.167 180 E HA 0.519 4.869 4.350 -0.000 0.000 0.284 180 E C 0.126 176.539 176.600 -0.312 0.000 1.016 180 E CA -0.876 55.340 56.400 -0.307 0.000 0.817 180 E CB 1.837 31.439 29.700 -0.163 0.000 1.080 180 E HN 0.216 nan 8.360 nan 0.000 0.397 181 L N 4.619 125.665 121.223 -0.295 0.000 2.313 181 L HA 0.178 4.518 4.340 -0.000 0.000 0.282 181 L C -1.093 175.661 176.870 -0.193 0.000 1.092 181 L CA -0.181 54.518 54.840 -0.235 0.000 0.831 181 L CB 0.870 42.793 42.059 -0.228 0.000 1.159 181 L HN 0.303 nan 8.230 nan 0.000 0.442 182 V N 7.174 126.964 119.914 -0.207 0.000 2.350 182 V HA 0.381 4.501 4.120 -0.000 0.000 0.285 182 V C 0.091 176.082 176.094 -0.170 0.000 1.014 182 V CA -0.600 61.553 62.300 -0.244 0.000 0.831 182 V CB 1.223 32.754 31.823 -0.486 0.000 1.000 182 V HN 0.582 nan 8.190 nan 0.000 0.433 183 L N 4.156 125.316 121.223 -0.106 0.000 2.307 183 L HA 0.690 5.030 4.340 -0.000 0.000 0.282 183 L C 0.949 177.748 176.870 -0.119 0.000 1.051 183 L CA -0.330 54.450 54.840 -0.098 0.000 0.804 183 L CB 1.503 43.516 42.059 -0.076 0.000 1.197 183 L HN 0.721 nan 8.230 nan 0.000 0.431 184 G N 1.717 110.450 108.800 -0.111 0.000 2.395 184 G HA2 0.562 4.522 3.960 -0.000 0.000 0.283 184 G HA3 0.562 4.522 3.960 -0.000 0.000 0.283 184 G C -0.478 174.364 174.900 -0.097 0.000 1.178 184 G CA -0.262 44.775 45.100 -0.105 0.000 0.837 184 G HN 0.738 nan 8.290 nan 0.000 0.518 185 A N 4.280 127.035 122.820 -0.109 0.000 2.943 185 A HA 0.648 4.968 4.320 -0.000 0.000 0.327 185 A C -1.485 176.021 177.584 -0.129 0.000 1.141 185 A CA -1.087 50.860 52.037 -0.151 0.000 0.773 185 A CB 1.577 20.457 19.000 -0.201 0.000 1.143 185 A HN 0.441 nan 8.150 nan 0.000 0.463 186 P HA -0.090 nan 4.420 nan 0.000 0.222 186 P C 1.342 178.688 177.300 0.077 0.000 1.147 186 P CA 1.732 64.775 63.100 -0.094 0.000 0.790 186 P CB 0.199 31.603 31.700 -0.495 0.000 0.780 187 G N -0.208 108.564 108.800 -0.047 0.000 2.985 187 G HA2 0.131 4.091 3.960 -0.000 0.000 0.209 187 G HA3 0.131 4.091 3.960 -0.000 0.000 0.209 187 G C 0.899 175.665 174.900 -0.224 0.000 1.165 187 G CA 0.135 45.210 45.100 -0.042 0.000 0.776 187 G HN 0.411 nan 8.290 nan 0.000 0.541 188 G N -0.629 108.054 108.800 -0.196 0.000 2.484 188 G HA2 0.248 4.208 3.960 -0.000 0.000 0.235 188 G HA3 0.248 4.208 3.960 -0.000 0.000 0.235 188 G C 0.034 174.795 174.900 -0.231 0.000 1.282 188 G CA -0.311 44.569 45.100 -0.368 0.000 0.857 188 G HN 0.403 nan 8.290 nan 0.000 0.571 189 Y N -0.598 119.635 120.300 -0.111 0.000 3.001 189 Y HA -0.230 4.320 4.550 -0.000 0.000 0.199 189 Y C 0.785 176.694 175.900 0.016 0.000 1.320 189 Y CA 0.755 58.811 58.100 -0.073 0.000 0.974 189 Y CB -2.796 35.583 38.460 -0.134 0.000 1.291 189 Y HN 0.868 nan 8.280 nan 0.000 0.465 190 Y N -1.005 119.278 120.300 -0.029 0.000 3.168 190 Y HA -0.239 4.311 4.550 -0.000 0.000 0.207 190 Y C 0.735 176.627 175.900 -0.013 0.000 1.280 190 Y CA 1.099 59.160 58.100 -0.066 0.000 1.235 190 Y CB -1.803 36.678 38.460 0.034 0.000 1.370 190 Y HN 0.491 nan 8.280 nan 0.000 0.537 191 F N -4.177 115.908 119.950 0.224 0.000 2.699 191 F HA -0.395 4.132 4.527 -0.000 0.000 0.343 191 F C 1.267 177.190 175.800 0.206 0.000 0.633 191 F CA 0.569 58.709 58.000 0.234 0.000 1.365 191 F CB -2.030 37.111 39.000 0.234 0.000 1.795 191 F HN 0.218 nan 8.300 nan 0.000 0.304 192 L N 0.218 121.608 121.223 0.277 0.000 2.017 192 L HA 0.307 4.647 4.340 -0.000 0.000 0.208 192 L C 1.649 178.718 176.870 0.332 0.000 1.073 192 L CA 2.306 57.307 54.840 0.269 0.000 0.745 192 L CB -0.859 41.325 42.059 0.210 0.000 0.894 192 L HN 0.623 nan 8.230 nan 0.000 0.432 193 G N -1.128 107.830 108.800 0.264 0.000 2.697 193 G HA2 0.215 4.175 3.960 -0.000 0.000 0.686 193 G HA3 0.215 4.175 3.960 -0.000 0.000 0.686 193 G C -1.355 173.705 174.900 0.267 0.000 1.179 193 G CA -0.431 44.842 45.100 0.288 0.000 0.765 193 G HN 0.513 nan 8.290 nan 0.000 0.649 194 L N -1.115 120.212 121.223 0.174 0.000 2.479 194 L HA 1.006 5.346 4.340 -0.000 0.000 0.255 194 L C -0.970 175.971 176.870 0.119 0.000 1.026 194 L CA -1.458 53.468 54.840 0.143 0.000 0.842 194 L CB 1.536 43.388 42.059 -0.344 0.000 1.444 194 L HN 0.754 nan 8.230 nan 0.000 0.409 195 L N 1.428 122.698 121.223 0.078 0.000 2.334 195 L HA 0.968 5.308 4.340 -0.000 0.000 0.273 195 L C -0.202 176.594 176.870 -0.124 0.000 1.013 195 L CA -0.242 54.565 54.840 -0.054 0.000 0.816 195 L CB 1.887 43.953 42.059 0.011 0.000 1.278 195 L HN 1.014 nan 8.230 nan 0.000 0.431 196 A N 2.906 125.688 122.820 -0.064 0.000 2.343 196 A HA 0.730 5.050 4.320 -0.000 0.000 0.308 196 A C -1.211 176.422 177.584 0.082 0.000 1.092 196 A CA -0.485 51.551 52.037 -0.003 0.000 0.751 196 A CB 1.477 20.432 19.000 -0.075 0.000 1.203 196 A HN 0.531 nan 8.150 nan 0.000 0.452 197 Q N 1.602 121.486 119.800 0.139 0.000 2.337 197 Q HA 0.740 5.080 4.340 -0.000 0.000 0.270 197 Q C -1.471 174.536 176.000 0.011 0.000 1.043 197 Q CA -0.462 55.373 55.803 0.053 0.000 0.794 197 Q CB 2.036 30.818 28.738 0.073 0.000 1.281 197 Q HN 1.331 nan 8.270 nan 0.000 0.446 198 A N 4.779 127.510 122.820 -0.148 0.000 2.517 198 A HA 0.686 5.006 4.320 -0.000 0.000 0.297 198 A C -2.775 174.643 177.584 -0.276 0.000 1.050 198 A CA -1.336 50.557 52.037 -0.240 0.000 0.694 198 A CB 1.603 20.318 19.000 -0.475 0.000 1.277 198 A HN 0.558 nan 8.150 nan 0.000 0.400 199 P HA 0.155 nan 4.420 nan 0.000 0.265 199 P C 1.154 178.339 177.300 -0.193 0.000 1.193 199 P CA -0.042 62.944 63.100 -0.190 0.000 0.765 199 P CB 0.694 32.328 31.700 -0.110 0.000 0.823 200 V N 3.603 123.392 119.914 -0.209 0.000 2.287 200 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 200 V C 2.397 178.574 176.094 0.138 0.000 1.053 200 V CA 2.760 65.020 62.300 -0.066 0.000 1.027 200 V CB -1.596 30.200 31.823 -0.045 0.000 0.646 200 V HN 0.670 nan 8.190 nan 0.000 0.447 201 A N -0.094 122.789 122.820 0.106 0.000 1.948 201 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 201 A C 1.918 179.590 177.584 0.147 0.000 1.177 201 A CA 2.269 54.399 52.037 0.156 0.000 0.636 201 A CB -0.581 18.476 19.000 0.094 0.000 0.815 201 A HN 0.580 nan 8.150 nan 0.000 0.449 202 D N -0.598 119.842 120.400 0.067 0.000 2.289 202 D HA 0.046 4.686 4.640 -0.000 0.000 0.207 202 D C 1.763 178.106 176.300 0.072 0.000 0.966 202 D CA 0.489 54.526 54.000 0.062 0.000 0.868 202 D CB -0.201 40.612 40.800 0.022 0.000 0.943 202 D HN 0.535 nan 8.370 nan 0.000 0.514 203 I N -0.108 120.462 120.570 -0.000 0.000 2.202 203 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 203 I C 1.912 178.037 176.117 0.013 0.000 1.091 203 I CA 0.797 62.075 61.300 -0.036 0.000 1.368 203 I CB -0.139 37.697 38.000 -0.274 0.000 1.058 203 I HN -0.120 nan 8.210 nan 0.000 0.410 204 F N 1.135 121.110 119.950 0.040 0.000 2.134 204 F HA -0.231 4.296 4.527 -0.000 0.000 0.299 204 F C 2.942 178.786 175.800 0.074 0.000 1.097 204 F CA 1.823 59.857 58.000 0.057 0.000 1.264 204 F CB -0.594 38.433 39.000 0.046 0.000 1.001 204 F HN 0.117 nan 8.300 nan 0.000 0.479 205 S N -1.305 114.540 115.700 0.241 0.000 2.461 205 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 205 S C 1.890 176.554 174.600 0.107 0.000 1.005 205 S CA 0.832 59.123 58.200 0.152 0.000 0.942 205 S CB -0.717 62.554 63.200 0.118 0.000 0.776 205 S HN 0.354 nan 8.310 nan 0.000 0.514 206 S N -0.551 115.225 115.700 0.126 0.000 2.503 206 S HA 0.202 4.672 4.470 -0.000 0.000 0.215 206 S C 0.350 174.887 174.600 -0.106 0.000 1.003 206 S CA -0.688 57.578 58.200 0.111 0.000 0.910 206 S CB -0.752 62.614 63.200 0.276 0.000 0.790 206 S HN 0.596 nan 8.310 nan 0.000 0.514 207 Y N 3.476 123.603 120.300 -0.288 0.000 2.359 207 Y HA 0.561 5.111 4.550 -0.000 0.000 0.330 207 Y C 0.125 175.740 175.900 -0.475 0.000 1.143 207 Y CA -0.516 57.174 58.100 -0.684 0.000 1.318 207 Y CB 0.495 38.660 38.460 -0.492 0.000 1.234 207 Y HN 0.042 nan 8.280 nan 0.000 0.522 208 R N 6.493 126.191 120.500 -1.338 0.000 2.673 208 R HA 0.375 4.715 4.340 -0.000 0.000 0.281 208 R C -2.946 172.534 176.300 -1.366 0.000 0.991 208 R CA -2.223 53.267 56.100 -1.017 0.000 0.896 208 R CB 1.577 31.572 30.300 -0.510 0.000 1.201 208 R HN 0.544 nan 8.270 nan 0.000 0.457 209 P HA 0.091 nan 4.420 nan 0.000 0.271 209 P C 0.646 177.763 177.300 -0.305 0.000 1.218 209 P CA 0.487 63.290 63.100 -0.494 0.000 0.780 209 P CB 0.754 32.382 31.700 -0.119 0.000 0.901 210 G N 1.838 110.538 108.800 -0.167 0.000 2.253 210 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.251 210 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.251 210 G C 1.006 175.868 174.900 -0.062 0.000 0.998 210 G CA 0.268 45.322 45.100 -0.078 0.000 0.621 210 G HN 0.489 nan 8.290 nan 0.000 0.524 211 I N 0.569 121.054 120.570 -0.143 0.000 2.286 211 I HA 0.017 4.187 4.170 -0.000 0.000 0.245 211 I C 2.526 178.722 176.117 0.132 0.000 1.104 211 I CA 1.685 62.953 61.300 -0.053 0.000 1.397 211 I CB -0.348 37.556 38.000 -0.159 0.000 1.072 211 I HN 0.412 nan 8.210 nan 0.000 0.417 212 L N -1.392 119.971 121.223 0.235 0.000 3.417 212 L HA -0.297 4.043 4.340 -0.000 0.000 0.368 212 L C 0.454 177.559 176.870 0.391 0.000 0.810 212 L CA 1.150 56.234 54.840 0.407 0.000 3.108 212 L CB -1.227 41.064 42.059 0.386 0.000 0.687 212 L HN 0.180 nan 8.230 nan 0.000 0.756 213 L N 0.195 121.605 121.223 0.311 0.000 2.345 213 L HA 0.444 4.784 4.340 -0.000 0.000 0.274 213 L C -0.661 176.266 176.870 0.094 0.000 0.999 213 L CA -0.430 54.444 54.840 0.057 0.000 0.849 213 L CB 1.162 43.254 42.059 0.055 0.000 1.220 213 L HN 0.333 nan 8.230 nan 0.000 0.422 214 W N 2.481 123.655 121.300 -0.210 0.000 3.029 214 W HA 0.526 5.186 4.660 -0.000 0.000 0.339 214 W C -1.138 175.248 176.519 -0.222 0.000 1.198 214 W CA -0.892 56.302 57.345 -0.250 0.000 1.148 214 W CB 0.698 30.085 29.460 -0.121 0.000 1.451 214 W HN 0.175 nan 8.180 nan 0.000 0.564 215 H N 1.370 120.521 119.070 0.135 0.000 2.517 215 H HA 0.442 4.998 4.556 -0.000 0.000 0.317 215 H C -0.582 174.818 175.328 0.119 0.000 1.080 215 H CA -0.784 55.283 56.048 0.032 0.000 1.301 215 H CB 1.692 31.487 29.762 0.055 0.000 1.425 215 H HN 0.336 nan 8.280 nan 0.000 0.471 216 V N 3.708 123.719 119.914 0.162 0.000 2.277 216 V HA 0.009 4.129 4.120 -0.000 0.000 0.269 216 V C 1.489 177.645 176.094 0.103 0.000 1.036 216 V CA -0.286 62.110 62.300 0.160 0.000 0.821 216 V CB 0.785 32.695 31.823 0.145 0.000 1.052 216 V HN 0.868 nan 8.190 nan 0.000 0.462 217 S N 2.909 118.666 115.700 0.094 0.000 2.423 217 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 217 S C 1.871 176.494 174.600 0.038 0.000 1.014 217 S CA 1.337 59.565 58.200 0.046 0.000 0.965 217 S CB -0.273 62.947 63.200 0.033 0.000 0.785 217 S HN 0.872 nan 8.310 nan 0.000 0.495 218 S N 1.249 116.973 115.700 0.038 0.000 2.607 218 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 218 S C 0.836 175.448 174.600 0.021 0.000 0.969 218 S CA -0.229 57.986 58.200 0.024 0.000 0.927 218 S CB -0.767 62.439 63.200 0.010 0.000 0.772 218 S HN 0.878 nan 8.310 nan 0.000 0.533 219 Q N 0.997 120.820 119.800 0.038 0.000 2.443 219 Q HA 0.516 4.856 4.340 -0.000 0.000 0.232 219 Q C -0.606 175.442 176.000 0.080 0.000 1.026 219 Q CA -0.409 55.429 55.803 0.058 0.000 0.924 219 Q CB 0.607 29.410 28.738 0.108 0.000 1.256 219 Q HN 0.130 nan 8.270 nan 0.000 0.519 220 S N 1.612 117.383 115.700 0.118 0.000 2.689 220 S HA 0.485 4.955 4.470 -0.000 0.000 0.274 220 S C -1.616 173.124 174.600 0.233 0.000 1.176 220 S CA -0.711 57.600 58.200 0.184 0.000 1.014 220 S CB 0.736 64.055 63.200 0.198 0.000 1.071 220 S HN 0.532 nan 8.310 nan 0.000 0.478 221 L N 3.799 125.067 121.223 0.075 0.000 2.334 221 L HA 0.626 4.966 4.340 -0.000 0.000 0.272 221 L C 0.984 177.521 176.870 -0.555 0.000 1.020 221 L CA -0.139 54.617 54.840 -0.139 0.000 0.812 221 L CB 1.898 43.917 42.059 -0.068 0.000 1.264 221 L HN 0.814 nan 8.230 nan 0.000 0.439 222 S N 0.631 115.773 115.700 -0.930 0.000 2.632 222 S HA 0.504 4.974 4.470 -0.000 0.000 0.254 222 S C -0.275 173.973 174.600 -0.588 0.000 1.291 222 S CA -0.313 57.194 58.200 -1.155 0.000 0.974 222 S CB 0.183 62.977 63.200 -0.677 0.000 1.016 222 S HN 0.218 nan 8.310 nan 0.000 0.579 223 F N -0.434 119.532 119.950 0.027 0.000 2.556 223 F HA 0.481 5.008 4.527 -0.000 0.000 0.327 223 F C 0.726 176.238 175.800 -0.479 0.000 1.059 223 F CA -1.126 56.849 58.000 -0.042 0.000 0.953 223 F CB 1.041 40.029 39.000 -0.020 0.000 1.227 223 F HN 0.508 nan 8.300 nan 0.000 0.478 224 D N 0.326 120.108 120.400 -1.030 0.000 2.377 224 D HA 0.394 5.034 4.640 -0.000 0.000 0.245 224 D C -0.815 175.095 176.300 -0.650 0.000 1.196 224 D CA 0.332 53.570 54.000 -1.269 0.000 0.962 224 D CB 1.652 41.234 40.800 -2.029 0.000 1.127 224 D HN 0.445 nan 8.370 nan 0.000 0.471 225 S N -0.907 114.523 115.700 -0.450 0.000 2.556 225 S HA 0.378 4.848 4.470 -0.000 0.000 0.271 225 S C -0.221 174.346 174.600 -0.055 0.000 1.135 225 S CA -0.580 57.460 58.200 -0.266 0.000 0.858 225 S CB 1.314 64.319 63.200 -0.326 0.000 1.114 225 S HN 0.247 nan 8.310 nan 0.000 0.468 226 S N 1.912 117.607 115.700 -0.008 0.000 2.539 226 S HA 0.213 4.682 4.470 -0.000 0.000 0.221 226 S C 0.285 174.904 174.600 0.032 0.000 0.987 226 S CA -0.397 57.880 58.200 0.128 0.000 0.929 226 S CB -0.185 63.037 63.200 0.037 0.000 0.832 226 S HN 0.653 nan 8.310 nan 0.000 0.492 227 N N 3.256 121.922 118.700 -0.057 0.000 2.431 227 N HA 0.151 4.891 4.740 -0.000 0.000 0.265 227 N C -2.131 172.992 175.510 -0.644 0.000 1.184 227 N CA -1.809 51.126 53.050 -0.191 0.000 0.943 227 N CB 1.200 39.702 38.487 0.024 0.000 1.080 227 N HN -0.041 nan 8.380 nan 0.000 0.477 228 P HA -0.092 nan 4.420 nan 0.000 0.220 228 P C 0.724 177.286 177.300 -1.230 0.000 1.148 228 P CA 1.007 63.158 63.100 -1.581 0.000 0.803 228 P CB 0.341 31.613 31.700 -0.713 0.000 0.782 229 E N -1.502 118.166 120.200 -0.886 0.000 2.171 229 E HA -0.212 4.138 4.350 -0.000 0.000 0.197 229 E C 1.311 177.193 176.600 -1.196 0.000 0.997 229 E CA 1.139 56.856 56.400 -1.138 0.000 0.810 229 E CB -0.412 28.805 29.700 -0.804 0.000 0.738 229 E HN 0.416 nan 8.360 nan 0.000 0.467 230 Y N -0.726 119.206 120.300 -0.612 0.000 2.523 230 Y HA 0.062 4.612 4.550 -0.000 0.000 0.279 230 Y C 0.565 176.444 175.900 -0.036 0.000 1.139 230 Y CA -0.057 57.912 58.100 -0.218 0.000 1.296 230 Y CB 0.231 38.698 38.460 0.011 0.000 1.045 230 Y HN -0.103 nan 8.280 nan 0.000 0.538 231 F N 2.091 121.871 119.950 -0.283 0.000 2.578 231 F HA -0.062 4.465 4.527 -0.000 0.000 0.376 231 F C 0.597 176.240 175.800 -0.263 0.000 1.085 231 F CA -0.231 57.641 58.000 -0.214 0.000 1.260 231 F CB 0.370 39.217 39.000 -0.254 0.000 1.095 231 F HN 0.264 nan 8.300 nan 0.000 0.573 232 D N 2.162 122.582 120.400 0.033 0.000 2.837 232 D HA -0.170 4.470 4.640 -0.000 0.000 0.230 232 D C 1.125 177.158 176.300 -0.445 0.000 1.152 232 D CA 0.822 54.714 54.000 -0.181 0.000 0.736 232 D CB -1.356 39.317 40.800 -0.212 0.000 1.084 232 D HN 0.870 nan 8.370 nan 0.000 0.429 233 G N -0.608 108.102 108.800 -0.149 0.000 2.777 233 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.211 233 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.211 233 G C 0.488 175.472 174.900 0.140 0.000 1.149 233 G CA -0.133 44.954 45.100 -0.022 0.000 0.785 233 G HN 0.317 nan 8.290 nan 0.000 0.536 234 Y N -2.343 118.124 120.300 0.279 0.000 3.305 234 Y HA -0.169 4.381 4.550 -0.000 0.000 0.212 234 Y C 0.570 176.646 175.900 0.294 0.000 1.248 234 Y CA -0.562 57.694 58.100 0.260 0.000 1.359 234 Y CB -2.541 36.089 38.460 0.284 0.000 1.407 234 Y HN 0.474 nan 8.280 nan 0.000 0.572 235 W N 1.606 123.063 121.300 0.262 0.000 2.489 235 W HA 0.402 5.062 4.660 -0.000 0.000 0.327 235 W C 1.170 177.762 176.519 0.121 0.000 1.436 235 W CA 1.861 59.323 57.345 0.194 0.000 1.315 235 W CB 0.288 29.892 29.460 0.241 0.000 1.373 235 W HN 0.618 nan 8.180 nan 0.000 0.557 236 G N 3.896 112.658 108.800 -0.064 0.000 2.192 236 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.193 236 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.193 236 G C 0.531 175.423 174.900 -0.014 0.000 0.999 236 G CA 0.097 45.131 45.100 -0.110 0.000 0.659 236 G HN 0.635 nan 8.290 nan 0.000 0.503 237 Y N 2.374 122.635 120.300 -0.065 0.000 2.207 237 Y HA 0.144 4.694 4.550 -0.000 0.000 0.287 237 Y C 1.747 177.704 175.900 0.094 0.000 1.156 237 Y CA 2.421 60.515 58.100 -0.011 0.000 1.182 237 Y CB 0.149 38.663 38.460 0.090 0.000 0.979 237 Y HN 0.702 nan 8.280 nan 0.000 0.521 238 S N -1.267 114.543 115.700 0.184 0.000 2.595 238 S HA 0.685 5.155 4.470 -0.000 0.000 0.281 238 S C -1.272 173.288 174.600 -0.067 0.000 1.117 238 S CA -0.550 57.680 58.200 0.050 0.000 0.873 238 S CB 2.046 65.267 63.200 0.035 0.000 1.108 238 S HN 0.063 nan 8.310 nan 0.000 0.477 239 V N -0.049 119.814 119.914 -0.086 0.000 3.120 239 V HA 0.939 5.058 4.120 -0.000 0.000 0.303 239 V C -1.024 175.014 176.094 -0.092 0.000 1.238 239 V CA 0.178 62.401 62.300 -0.127 0.000 1.008 239 V CB 1.771 33.495 31.823 -0.164 0.000 1.064 239 V HN 1.875 nan 8.190 nan 0.000 0.434 240 A N 3.233 126.007 122.820 -0.076 0.000 2.581 240 A HA 0.965 5.285 4.320 -0.000 0.000 0.290 240 A C -1.160 176.441 177.584 0.028 0.000 1.119 240 A CA 0.043 52.062 52.037 -0.030 0.000 0.670 240 A CB 1.721 20.711 19.000 -0.017 0.000 1.280 240 A HN 2.107 nan 8.150 nan 0.000 0.425 241 V N -2.364 117.593 119.914 0.072 0.000 3.001 241 V HA 1.069 5.189 4.120 -0.000 0.000 0.314 241 V C 0.077 176.288 176.094 0.195 0.000 1.099 241 V CA 0.180 62.582 62.300 0.170 0.000 0.989 241 V CB 1.276 33.195 31.823 0.159 0.000 1.040 241 V HN 2.473 nan 8.190 nan 0.000 0.434 242 G N 1.211 110.200 108.800 0.314 0.000 2.428 242 G HA2 0.541 4.501 3.960 -0.000 0.000 0.304 242 G HA3 0.541 4.501 3.960 -0.000 0.000 0.304 242 G C -1.935 173.171 174.900 0.343 0.000 1.303 242 G CA -0.425 44.883 45.100 0.347 0.000 0.825 242 G HN 1.035 nan 8.290 nan 0.000 0.484 243 E N -0.349 119.944 120.200 0.155 0.000 2.102 243 E HA 0.701 5.051 4.350 -0.000 0.000 0.263 243 E C -1.049 175.326 176.600 -0.374 0.000 0.894 243 E CA -0.715 55.642 56.400 -0.071 0.000 0.746 243 E CB 0.696 30.275 29.700 -0.201 0.000 1.129 243 E HN 0.266 nan 8.360 nan 0.000 0.416 244 F N 2.089 122.091 119.950 0.088 0.000 2.838 244 F HA 0.196 4.723 4.527 -0.000 0.000 0.329 244 F C 0.533 176.398 175.800 0.109 0.000 1.116 244 F CA -0.315 57.746 58.000 0.102 0.000 1.155 244 F CB 0.991 40.068 39.000 0.129 0.000 1.106 244 F HN 0.403 nan 8.300 nan 0.000 0.538 245 D N -1.249 119.261 120.400 0.184 0.000 2.563 245 D HA 0.206 4.846 4.640 -0.000 0.000 0.237 245 D C 1.491 177.821 176.300 0.050 0.000 1.282 245 D CA 0.312 54.383 54.000 0.119 0.000 0.816 245 D CB 0.027 40.883 40.800 0.093 0.000 1.066 245 D HN 0.170 nan 8.370 nan 0.000 0.501 246 G N 1.048 109.861 108.800 0.023 0.000 2.203 246 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.263 246 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.263 246 G C -0.342 174.552 174.900 -0.011 0.000 1.012 246 G CA 0.499 45.594 45.100 -0.008 0.000 0.749 246 G HN 0.579 nan 8.290 nan 0.000 0.512 247 D N -0.281 120.117 120.400 -0.003 0.000 2.454 247 D HA 0.447 5.087 4.640 -0.000 0.000 0.247 247 D C 1.602 177.897 176.300 -0.008 0.000 1.129 247 D CA -0.751 53.247 54.000 -0.003 0.000 0.877 247 D CB 0.471 41.276 40.800 0.007 0.000 1.082 247 D HN 0.057 nan 8.370 nan 0.000 0.537 248 L N 2.769 123.982 121.223 -0.017 0.000 2.362 248 L HA -0.061 4.279 4.340 -0.000 0.000 0.219 248 L C 1.601 178.466 176.870 -0.007 0.000 1.134 248 L CA 0.358 55.186 54.840 -0.020 0.000 0.807 248 L CB -0.192 41.850 42.059 -0.028 0.000 0.927 248 L HN 0.287 nan 8.230 nan 0.000 0.447 249 N N -0.311 118.387 118.700 -0.002 0.000 2.270 249 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 249 N C 0.921 176.430 175.510 -0.001 0.000 1.016 249 N CA 1.135 54.186 53.050 0.002 0.000 0.870 249 N CB -0.245 38.245 38.487 0.006 0.000 0.979 249 N HN 0.380 nan 8.380 nan 0.000 0.431 250 T N -1.581 112.971 114.554 -0.004 0.000 2.824 250 T HA 0.526 4.876 4.350 -0.000 0.000 0.280 250 T C -0.063 174.624 174.700 -0.022 0.000 0.995 250 T CA -0.784 61.302 62.100 -0.023 0.000 1.009 250 T CB 1.884 70.743 68.868 -0.014 0.000 0.955 250 T HN -0.159 nan 8.240 nan 0.000 0.452 251 T N 2.985 117.507 114.554 -0.052 0.000 2.867 251 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 251 T C -0.386 174.248 174.700 -0.110 0.000 1.000 251 T CA -0.719 61.373 62.100 -0.012 0.000 1.042 251 T CB 1.277 70.174 68.868 0.047 0.000 0.973 251 T HN 0.658 nan 8.240 nan 0.000 0.465 252 E N 1.104 121.321 120.200 0.027 0.000 2.202 252 E HA 0.499 4.849 4.350 -0.000 0.000 0.272 252 E C -1.088 175.599 176.600 0.146 0.000 0.951 252 E CA -0.623 55.772 56.400 -0.009 0.000 0.813 252 E CB 0.803 30.620 29.700 0.196 0.000 1.151 252 E HN 0.452 nan 8.360 nan 0.000 0.398 253 Y N 0.282 120.601 120.300 0.033 0.000 2.387 253 Y HA 0.511 5.061 4.550 -0.000 0.000 0.330 253 Y C -0.050 175.814 175.900 -0.059 0.000 1.133 253 Y CA -1.370 56.726 58.100 -0.007 0.000 1.152 253 Y CB 0.969 39.424 38.460 -0.008 0.000 1.215 253 Y HN 0.148 nan 8.280 nan 0.000 0.466 254 V N 3.848 123.802 119.914 0.067 0.000 2.409 254 V HA 0.570 4.690 4.120 -0.000 0.000 0.291 254 V C -0.623 175.380 176.094 -0.151 0.000 1.020 254 V CA -0.846 61.401 62.300 -0.089 0.000 0.848 254 V CB 1.607 33.364 31.823 -0.110 0.000 0.990 254 V HN 0.523 nan 8.190 nan 0.000 0.430 255 V N 3.332 123.098 119.914 -0.246 0.000 2.588 255 V HA 0.738 4.858 4.120 -0.000 0.000 0.304 255 V C 0.590 176.474 176.094 -0.348 0.000 1.042 255 V CA -0.521 61.527 62.300 -0.421 0.000 0.877 255 V CB 2.016 33.291 31.823 -0.913 0.000 0.996 255 V HN 0.925 nan 8.190 nan 0.000 0.425 256 G N 2.600 111.253 108.800 -0.246 0.000 2.338 256 G HA2 0.605 4.564 3.960 -0.000 0.000 0.298 256 G HA3 0.605 4.564 3.960 -0.000 0.000 0.298 256 G C -0.157 174.711 174.900 -0.054 0.000 1.140 256 G CA -0.094 44.932 45.100 -0.123 0.000 0.860 256 G HN 1.182 nan 8.290 nan 0.000 0.470 257 A N 4.832 127.666 122.820 0.025 0.000 2.978 257 A HA 0.652 4.972 4.320 -0.000 0.000 0.341 257 A C -1.520 176.131 177.584 0.112 0.000 1.105 257 A CA -1.227 50.917 52.037 0.179 0.000 0.819 257 A CB 1.473 20.688 19.000 0.358 0.000 1.080 257 A HN 0.450 nan 8.150 nan 0.000 0.476 258 P HA -0.061 nan 4.420 nan 0.000 0.233 258 P C 0.962 178.031 177.300 -0.386 0.000 1.167 258 P CA 1.443 64.359 63.100 -0.308 0.000 0.770 258 P CB 0.053 31.284 31.700 -0.782 0.000 0.837 259 T N -7.092 107.335 114.554 -0.212 0.000 3.132 259 T HA 0.116 4.466 4.350 -0.000 0.000 0.274 259 T C 0.085 174.732 174.700 -0.088 0.000 1.011 259 T CA -0.738 61.252 62.100 -0.183 0.000 0.899 259 T CB -0.841 67.866 68.868 -0.268 0.000 1.089 259 T HN -0.058 nan 8.240 nan 0.000 0.543 260 W N 2.717 123.916 121.300 -0.168 0.000 2.293 260 W HA 0.329 4.989 4.660 -0.000 0.000 0.342 260 W C 0.765 177.155 176.519 -0.216 0.000 1.274 260 W CA 1.328 58.554 57.345 -0.198 0.000 1.290 260 W CB 0.167 29.539 29.460 -0.147 0.000 1.176 260 W HN 0.324 nan 8.180 nan 0.000 0.570 261 S N 6.573 121.600 115.700 -1.123 0.000 3.386 261 S HA -0.241 4.229 4.470 -0.000 0.000 0.403 261 S C 0.047 174.499 174.600 -0.246 0.000 0.893 261 S CA 0.772 58.373 58.200 -0.998 0.000 1.336 261 S CB -1.495 61.038 63.200 -1.113 0.000 0.925 261 S HN 0.965 nan 8.310 nan 0.000 0.589 262 W N 0.184 121.310 121.300 -0.290 0.000 5.963 262 W HA -0.339 4.321 4.660 -0.000 0.000 0.400 262 W C 1.296 177.754 176.519 -0.101 0.000 1.530 262 W CA 1.432 58.678 57.345 -0.164 0.000 1.004 262 W CB -3.094 26.276 29.460 -0.151 0.000 2.706 262 W HN 1.790 nan 8.180 nan 0.000 1.495 263 T N -4.684 109.878 114.554 0.014 0.000 6.157 263 T HA -0.386 3.964 4.350 -0.000 0.000 0.281 263 T C 0.845 175.590 174.700 0.075 0.000 2.039 263 T CA 1.432 63.553 62.100 0.035 0.000 3.312 263 T CB -1.629 67.288 68.868 0.082 0.000 1.589 263 T HN 0.350 nan 8.240 nan 0.000 1.129 264 L N 1.690 122.965 121.223 0.087 0.000 2.083 264 L HA 0.455 4.795 4.340 -0.000 0.000 0.209 264 L C 1.599 178.539 176.870 0.116 0.000 1.083 264 L CA 2.900 57.802 54.840 0.104 0.000 0.752 264 L CB -0.971 41.156 42.059 0.113 0.000 0.899 264 L HN 1.685 nan 8.230 nan 0.000 0.433 265 G N -1.603 107.306 108.800 0.180 0.000 2.705 265 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 265 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 265 G C -0.655 174.384 174.900 0.231 0.000 1.285 265 G CA -0.304 44.923 45.100 0.212 0.000 0.800 265 G HN 1.138 nan 8.290 nan 0.000 0.611 266 A N -0.353 122.597 122.820 0.216 0.000 2.610 266 A HA 0.974 5.294 4.320 -0.000 0.000 0.291 266 A C -0.801 176.829 177.584 0.078 0.000 1.086 266 A CA 0.074 52.107 52.037 -0.006 0.000 0.677 266 A CB 1.939 20.541 19.000 -0.663 0.000 1.278 266 A HN 2.155 nan 8.150 nan 0.000 0.414 267 V N 0.922 120.861 119.914 0.043 0.000 2.709 267 V HA 0.579 4.699 4.120 -0.000 0.000 0.308 267 V C -0.484 175.521 176.094 -0.148 0.000 1.062 267 V CA -0.436 61.821 62.300 -0.072 0.000 0.901 267 V CB 1.856 33.627 31.823 -0.086 0.000 1.003 267 V HN 0.945 nan 8.190 nan 0.000 0.425 268 E N 3.679 123.799 120.200 -0.134 0.000 2.288 268 E HA 0.636 4.986 4.350 -0.000 0.000 0.268 268 E C -1.381 175.171 176.600 -0.081 0.000 0.885 268 E CA -0.748 55.614 56.400 -0.064 0.000 0.767 268 E CB 3.057 32.828 29.700 0.119 0.000 1.220 268 E HN 0.508 nan 8.360 nan 0.000 0.427 269 I N 3.670 124.203 120.570 -0.061 0.000 2.378 269 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 269 I C -0.654 175.479 176.117 0.026 0.000 0.992 269 I CA -0.517 60.726 61.300 -0.094 0.000 1.154 269 I CB 0.728 38.596 38.000 -0.220 0.000 1.315 269 I HN 0.240 nan 8.210 nan 0.000 0.448 270 L N 4.522 125.779 121.223 0.056 0.000 2.309 270 L HA 0.557 4.897 4.340 -0.000 0.000 0.261 270 L C -0.505 176.345 176.870 -0.032 0.000 1.021 270 L CA -1.062 53.833 54.840 0.091 0.000 0.823 270 L CB 1.603 43.810 42.059 0.247 0.000 1.366 270 L HN 0.531 nan 8.230 nan 0.000 0.423 271 D N -1.047 119.323 120.400 -0.050 0.000 2.451 271 D HA 0.100 4.740 4.640 -0.000 0.000 0.259 271 D C 0.926 176.946 176.300 -0.468 0.000 1.201 271 D CA -0.226 53.671 54.000 -0.172 0.000 1.028 271 D CB 0.759 41.549 40.800 -0.016 0.000 1.095 271 D HN 0.527 nan 8.370 nan 0.000 0.539 272 S N -1.593 113.737 115.700 -0.618 0.000 2.515 272 S HA -0.134 4.336 4.470 -0.000 0.000 0.231 272 S C 1.040 175.094 174.600 -0.910 0.000 0.987 272 S CA 0.296 57.911 58.200 -0.974 0.000 0.936 272 S CB -0.796 61.944 63.200 -0.767 0.000 0.766 272 S HN 0.527 nan 8.310 nan 0.000 0.528 273 Y N 0.278 120.382 120.300 -0.327 0.000 2.493 273 Y HA 0.350 4.900 4.550 -0.000 0.000 0.275 273 Y C -0.215 175.738 175.900 0.087 0.000 1.183 273 Y CA -1.210 56.816 58.100 -0.122 0.000 1.258 273 Y CB -0.948 37.531 38.460 0.032 0.000 1.108 273 Y HN 0.154 nan 8.280 nan 0.000 0.521 274 Y N -1.447 118.995 120.300 0.236 0.000 4.177 274 Y HA -0.291 4.259 4.550 -0.000 0.000 0.227 274 Y C 0.120 176.219 175.900 0.330 0.000 1.154 274 Y CA -0.311 57.976 58.100 0.311 0.000 1.887 274 Y CB -2.392 36.246 38.460 0.297 0.000 1.594 274 Y HN 0.195 nan 8.280 nan 0.000 0.668 275 Q N 0.894 120.891 119.800 0.329 0.000 2.261 275 Q HA 0.344 4.684 4.340 -0.000 0.000 0.252 275 Q C 0.570 176.671 176.000 0.168 0.000 0.915 275 Q CA -0.567 55.372 55.803 0.226 0.000 0.915 275 Q CB 1.291 30.119 28.738 0.149 0.000 1.204 275 Q HN 0.423 nan 8.270 nan 0.000 0.421 276 R N 2.616 123.203 120.500 0.145 0.000 2.389 276 R HA 0.176 4.516 4.340 -0.000 0.000 0.295 276 R C 0.609 176.916 176.300 0.012 0.000 1.075 276 R CA 0.117 56.283 56.100 0.111 0.000 1.005 276 R CB 0.320 30.691 30.300 0.119 0.000 0.987 276 R HN 0.642 nan 8.270 nan 0.000 0.452 277 L N 2.504 123.699 121.223 -0.046 0.000 2.445 277 L HA 0.245 4.585 4.340 -0.000 0.000 0.207 277 L C 0.013 176.583 176.870 -0.501 0.000 1.053 277 L CA 0.135 54.830 54.840 -0.241 0.000 0.841 277 L CB 0.174 42.116 42.059 -0.194 0.000 1.074 277 L HN 0.680 nan 8.230 nan 0.000 0.479 278 H N -1.128 117.919 119.070 -0.037 0.000 2.930 278 H HA 0.554 5.110 4.556 -0.000 0.000 0.371 278 H C -1.057 174.206 175.328 -0.109 0.000 1.169 278 H CA -0.665 55.338 56.048 -0.076 0.000 1.157 278 H CB 2.079 31.766 29.762 -0.126 0.000 1.789 278 H HN -0.152 nan 8.280 nan 0.000 0.547 279 R N 2.353 122.849 120.500 -0.007 0.000 2.561 279 R HA 0.540 4.879 4.340 -0.000 0.000 0.297 279 R C -1.699 174.495 176.300 -0.177 0.000 0.969 279 R CA -0.713 55.309 56.100 -0.130 0.000 0.879 279 R CB 1.119 31.308 30.300 -0.185 0.000 1.178 279 R HN 0.577 nan 8.270 nan 0.000 0.445 280 L N 4.759 125.839 121.223 -0.238 0.000 2.333 280 L HA 0.589 4.929 4.340 -0.000 0.000 0.280 280 L C -0.098 176.603 176.870 -0.283 0.000 1.004 280 L CA -0.904 53.778 54.840 -0.265 0.000 0.820 280 L CB 1.950 43.795 42.059 -0.356 0.000 1.247 280 L HN 0.554 nan 8.230 nan 0.000 0.416 281 R N 1.169 121.457 120.500 -0.354 0.000 2.540 281 R HA 0.559 4.899 4.340 -0.000 0.000 0.287 281 R C 0.343 176.118 176.300 -0.875 0.000 0.980 281 R CA -0.663 55.192 56.100 -0.407 0.000 0.966 281 R CB 1.369 31.578 30.300 -0.150 0.000 1.106 281 R HN 0.747 nan 8.270 nan 0.000 0.480 282 G N 0.120 108.376 108.800 -0.906 0.000 2.667 282 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.250 282 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.250 282 G C 0.091 174.723 174.900 -0.447 0.000 1.212 282 G CA -0.258 44.202 45.100 -1.067 0.000 0.874 282 G HN 0.793 nan 8.290 nan 0.000 0.561 283 E N -1.400 118.670 120.200 -0.217 0.000 2.307 283 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 283 E C 0.691 177.379 176.600 0.147 0.000 0.975 283 E CA 0.168 56.582 56.400 0.023 0.000 0.878 283 E CB 0.206 30.018 29.700 0.187 0.000 0.845 283 E HN 0.484 nan 8.360 nan 0.000 0.488 284 Q N 0.690 120.609 119.800 0.197 0.000 2.281 284 Q HA 0.244 4.584 4.340 -0.000 0.000 0.263 284 Q C -1.284 174.817 176.000 0.168 0.000 0.989 284 Q CA -0.467 55.453 55.803 0.195 0.000 0.852 284 Q CB 1.506 30.400 28.738 0.261 0.000 1.337 284 Q HN 0.064 nan 8.270 nan 0.000 0.418 285 M N 2.496 122.167 119.600 0.117 0.000 2.249 285 M HA 0.193 4.673 4.480 -0.000 0.000 0.340 285 M C 0.947 177.332 176.300 0.142 0.000 1.166 285 M CA 1.590 56.961 55.300 0.117 0.000 1.115 285 M CB 0.573 33.227 32.600 0.090 0.000 1.606 285 M HN 1.000 nan 8.290 nan 0.000 0.448 286 A N 0.693 123.613 122.820 0.167 0.000 3.383 286 A HA -0.191 4.129 4.320 -0.000 0.000 0.264 286 A C 1.492 179.251 177.584 0.292 0.000 1.154 286 A CA 1.264 53.433 52.037 0.220 0.000 1.179 286 A CB -2.531 16.573 19.000 0.173 0.000 1.133 286 A HN 1.014 nan 8.150 nan 0.000 0.933 287 S N -2.210 113.667 115.700 0.295 0.000 2.561 287 S HA 0.167 4.637 4.470 -0.000 0.000 0.225 287 S C 0.746 175.614 174.600 0.447 0.000 0.977 287 S CA 1.198 59.620 58.200 0.368 0.000 0.926 287 S CB -0.519 62.958 63.200 0.460 0.000 0.769 287 S HN 1.663 nan 8.310 nan 0.000 0.533 288 Y N -0.215 120.225 120.300 0.233 0.000 3.689 288 Y HA -0.248 4.302 4.550 -0.000 0.000 0.221 288 Y C 0.100 176.146 175.900 0.242 0.000 1.247 288 Y CA 0.217 58.435 58.100 0.197 0.000 1.671 288 Y CB -2.384 36.160 38.460 0.141 0.000 1.521 288 Y HN 0.568 nan 8.280 nan 0.000 0.632 289 F N 1.280 121.322 119.950 0.152 0.000 2.571 289 F HA 0.323 4.850 4.527 -0.000 0.000 0.390 289 F C 1.258 177.083 175.800 0.041 0.000 1.043 289 F CA 1.797 59.868 58.000 0.118 0.000 1.164 289 F CB 0.331 39.357 39.000 0.043 0.000 1.049 289 F HN 0.345 nan 8.300 nan 0.000 0.552 290 G N 4.240 112.889 108.800 -0.252 0.000 2.184 290 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.206 290 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.206 290 G C 1.282 176.179 174.900 -0.005 0.000 0.995 290 G CA 0.198 45.207 45.100 -0.151 0.000 0.651 290 G HN 0.812 nan 8.290 nan 0.000 0.511 291 H N 1.428 120.499 119.070 0.002 0.000 2.353 291 H HA 0.005 4.561 4.556 -0.000 0.000 0.298 291 H C 1.269 176.667 175.328 0.117 0.000 1.103 291 H CA 2.406 58.525 56.048 0.118 0.000 1.293 291 H CB 0.116 30.004 29.762 0.209 0.000 1.372 291 H HN 0.806 nan 8.280 nan 0.000 0.501 292 S N 0.021 115.791 115.700 0.117 0.000 2.549 292 S HA 0.561 5.031 4.470 -0.000 0.000 0.280 292 S C -0.646 173.929 174.600 -0.043 0.000 1.109 292 S CA -0.356 57.856 58.200 0.020 0.000 0.905 292 S CB 2.577 65.812 63.200 0.058 0.000 1.081 292 S HN 0.250 nan 8.310 nan 0.000 0.477 293 V N -1.413 118.468 119.914 -0.056 0.000 2.925 293 V HA 1.047 5.167 4.120 -0.000 0.000 0.311 293 V C -0.357 175.713 176.094 -0.039 0.000 1.104 293 V CA -0.786 61.477 62.300 -0.061 0.000 0.954 293 V CB 0.968 32.742 31.823 -0.082 0.000 1.022 293 V HN 1.681 nan 8.190 nan 0.000 0.427 294 A N 2.761 125.571 122.820 -0.016 0.000 2.486 294 A HA 0.892 5.212 4.320 -0.000 0.000 0.300 294 A C -1.176 176.422 177.584 0.023 0.000 1.048 294 A CA -0.668 51.364 52.037 -0.007 0.000 0.696 294 A CB 2.190 21.183 19.000 -0.012 0.000 1.278 294 A HN 1.462 nan 8.150 nan 0.000 0.405 295 V N 1.504 121.418 119.914 -0.001 0.000 2.378 295 V HA 0.827 4.947 4.120 -0.000 0.000 0.288 295 V C -0.000 176.006 176.094 -0.146 0.000 1.016 295 V CA -0.106 62.181 62.300 -0.022 0.000 0.840 295 V CB 1.313 33.117 31.823 -0.031 0.000 0.994 295 V HN 1.083 nan 8.190 nan 0.000 0.431 296 T N 2.436 116.946 114.554 -0.073 0.000 3.047 296 T HA 0.253 4.603 4.350 -0.000 0.000 0.340 296 T C -1.670 173.081 174.700 0.085 0.000 1.421 296 T CA -0.585 61.496 62.100 -0.032 0.000 1.090 296 T CB 1.649 70.522 68.868 0.008 0.000 1.292 296 T HN 0.774 nan 8.240 nan 0.000 0.480 297 D N 2.922 123.425 120.400 0.172 0.000 2.344 297 D HA 0.235 4.875 4.640 -0.000 0.000 0.253 297 D C 1.523 177.893 176.300 0.116 0.000 1.255 297 D CA -0.041 54.045 54.000 0.143 0.000 0.894 297 D CB 0.772 41.643 40.800 0.119 0.000 1.067 297 D HN 0.387 nan 8.370 nan 0.000 0.492 298 V N 1.933 121.917 119.914 0.117 0.000 3.174 298 V HA 0.089 4.209 4.120 -0.000 0.000 0.254 298 V C 1.152 177.360 176.094 0.189 0.000 1.120 298 V CA 0.700 63.078 62.300 0.129 0.000 1.114 298 V CB -0.429 31.449 31.823 0.091 0.000 0.756 298 V HN 0.571 nan 8.190 nan 0.000 0.467 299 N N 0.829 119.642 118.700 0.188 0.000 2.214 299 N HA 0.228 4.968 4.740 -0.000 0.000 0.214 299 N C 1.387 177.110 175.510 0.354 0.000 1.132 299 N CA 0.470 53.678 53.050 0.263 0.000 0.856 299 N CB 0.428 38.995 38.487 0.135 0.000 1.020 299 N HN 0.821 nan 8.380 nan 0.000 0.509 300 G N 1.890 110.816 108.800 0.210 0.000 2.168 300 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.257 300 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.257 300 G C 0.182 175.083 174.900 0.002 0.000 0.997 300 G CA 0.659 45.763 45.100 0.007 0.000 0.708 300 G HN 0.649 nan 8.290 nan 0.000 0.520 301 D N -0.893 119.532 120.400 0.042 0.000 2.328 301 D HA 0.386 5.026 4.640 -0.000 0.000 0.221 301 D C 1.830 178.119 176.300 -0.018 0.000 1.072 301 D CA 0.521 54.531 54.000 0.017 0.000 0.850 301 D CB -0.477 40.346 40.800 0.039 0.000 0.922 301 D HN 1.463 nan 8.370 nan 0.000 0.516 302 G N 0.402 109.181 108.800 -0.035 0.000 2.205 302 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 302 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 302 G C 0.250 175.073 174.900 -0.128 0.000 0.980 302 G CA -0.055 44.998 45.100 -0.077 0.000 0.632 302 G HN 0.461 nan 8.290 nan 0.000 0.533 303 R N 0.561 121.008 120.500 -0.088 0.000 2.255 303 R HA 0.430 4.770 4.340 -0.000 0.000 0.326 303 R C -0.140 176.110 176.300 -0.084 0.000 0.986 303 R CA -0.743 55.279 56.100 -0.130 0.000 0.847 303 R CB 0.692 30.955 30.300 -0.062 0.000 1.111 303 R HN 0.545 nan 8.270 nan 0.000 0.452 304 H N 1.798 120.728 119.070 -0.232 0.000 3.034 304 H HA -0.032 4.524 4.556 -0.000 0.000 0.324 304 H C -0.168 175.067 175.328 -0.155 0.000 1.015 304 H CA 0.126 56.017 56.048 -0.262 0.000 1.429 304 H CB 0.665 30.108 29.762 -0.532 0.000 1.429 304 H HN 0.423 nan 8.280 nan 0.000 0.585 305 D N 2.217 122.708 120.400 0.152 0.000 2.384 305 D HA 0.246 4.886 4.640 -0.000 0.000 0.250 305 D C -0.526 175.947 176.300 0.289 0.000 1.029 305 D CA -0.704 53.428 54.000 0.220 0.000 0.990 305 D CB 2.310 43.205 40.800 0.157 0.000 1.175 305 D HN 0.135 nan 8.370 nan 0.000 0.532 306 L N 0.692 122.109 121.223 0.323 0.000 2.341 306 L HA 0.476 4.816 4.340 -0.000 0.000 0.278 306 L C -1.621 175.408 176.870 0.265 0.000 1.005 306 L CA -0.460 54.551 54.840 0.285 0.000 0.818 306 L CB 1.292 43.477 42.059 0.211 0.000 1.259 306 L HN 0.257 nan 8.230 nan 0.000 0.418 307 L N 5.516 126.834 121.223 0.159 0.000 2.341 307 L HA 0.746 5.086 4.340 -0.000 0.000 0.278 307 L C -0.980 175.931 176.870 0.068 0.000 1.005 307 L CA -0.582 54.322 54.840 0.107 0.000 0.818 307 L CB 2.120 44.197 42.059 0.030 0.000 1.259 307 L HN 0.346 nan 8.230 nan 0.000 0.418 308 V N 1.591 121.555 119.914 0.083 0.000 2.588 308 V HA 0.724 4.844 4.120 -0.000 0.000 0.304 308 V C 0.260 176.330 176.094 -0.039 0.000 1.042 308 V CA -0.636 61.613 62.300 -0.085 0.000 0.877 308 V CB 1.884 33.504 31.823 -0.339 0.000 0.996 308 V HN 0.807 nan 8.190 nan 0.000 0.425 309 G N 2.385 111.138 108.800 -0.079 0.000 2.356 309 G HA2 0.651 4.611 3.960 -0.000 0.000 0.322 309 G HA3 0.651 4.611 3.960 -0.000 0.000 0.322 309 G C -0.365 174.583 174.900 0.081 0.000 1.125 309 G CA -0.260 44.853 45.100 0.021 0.000 0.885 309 G HN 1.164 nan 8.290 nan 0.000 0.467 310 A N 4.179 127.135 122.820 0.227 0.000 2.842 310 A HA 0.659 4.979 4.320 -0.000 0.000 0.339 310 A C -1.583 176.191 177.584 0.316 0.000 1.177 310 A CA -1.253 50.995 52.037 0.352 0.000 0.797 310 A CB 1.468 20.831 19.000 0.605 0.000 1.094 310 A HN 0.419 nan 8.150 nan 0.000 0.474 311 P HA -0.056 nan 4.420 nan 0.000 0.230 311 P C 0.625 178.052 177.300 0.212 0.000 1.158 311 P CA 0.872 64.061 63.100 0.148 0.000 0.769 311 P CB 0.206 31.867 31.700 -0.065 0.000 0.807 312 L N -2.284 119.091 121.223 0.253 0.000 2.910 312 L HA 0.253 4.593 4.340 -0.000 0.000 0.252 312 L C 0.626 177.652 176.870 0.259 0.000 1.195 312 L CA -0.905 54.077 54.840 0.237 0.000 1.003 312 L CB -0.548 41.635 42.059 0.206 0.000 1.328 312 L HN -0.116 nan 8.230 nan 0.000 0.540 313 Y N 2.313 122.738 120.300 0.208 0.000 2.632 313 Y HA 0.071 4.621 4.550 -0.000 0.000 0.329 313 Y C 0.407 176.389 175.900 0.136 0.000 1.174 313 Y CA 0.309 58.525 58.100 0.193 0.000 1.469 313 Y CB 0.402 38.992 38.460 0.216 0.000 1.242 313 Y HN 0.078 nan 8.280 nan 0.000 0.540 314 M N 6.819 126.060 119.600 -0.598 0.000 2.063 314 M HA 0.172 4.652 4.480 -0.000 0.000 0.348 314 M C -0.262 175.652 176.300 -0.642 0.000 1.180 314 M CA -0.185 54.859 55.300 -0.427 0.000 1.059 314 M CB 0.972 33.431 32.600 -0.236 0.000 1.544 314 M HN 0.684 nan 8.290 nan 0.000 0.447 315 E N 1.804 121.863 120.200 -0.235 0.000 2.354 315 E HA 0.160 4.510 4.350 -0.000 0.000 0.269 315 E C -0.681 175.892 176.600 -0.045 0.000 1.036 315 E CA -0.178 56.210 56.400 -0.020 0.000 0.876 315 E CB 0.986 30.737 29.700 0.086 0.000 1.009 315 E HN 0.534 nan 8.360 nan 0.000 0.416 316 S N 4.006 119.710 115.700 0.006 0.000 2.465 316 S HA 0.174 4.644 4.470 -0.000 0.000 0.280 316 S C -0.045 174.556 174.600 0.002 0.000 1.232 316 S CA -0.517 57.683 58.200 -0.001 0.000 1.066 316 S CB 0.362 63.576 63.200 0.023 0.000 0.929 316 S HN 0.350 nan 8.310 nan 0.000 0.494 317 R N 1.445 121.938 120.500 -0.011 0.000 2.705 317 R HA 0.638 4.977 4.340 -0.000 0.000 0.246 317 R C 0.343 176.639 176.300 -0.007 0.000 1.142 317 R CA -0.839 55.254 56.100 -0.011 0.000 1.114 317 R CB 0.496 30.784 30.300 -0.020 0.000 1.256 317 R HN 0.622 nan 8.270 nan 0.000 0.536 318 A N 0.478 123.294 122.820 -0.007 0.000 2.386 318 A HA 0.184 4.504 4.320 -0.000 0.000 0.248 318 A C 0.007 177.588 177.584 -0.005 0.000 1.082 318 A CA 0.387 52.421 52.037 -0.004 0.000 0.789 318 A CB -0.041 18.956 19.000 -0.004 0.000 1.025 318 A HN 0.776 nan 8.150 nan 0.000 0.490 319 D N -0.311 120.087 120.400 -0.003 0.000 2.739 319 D HA -0.183 4.457 4.640 -0.000 0.000 0.240 319 D C 0.449 176.747 176.300 -0.003 0.000 1.114 319 D CA 1.329 55.327 54.000 -0.003 0.000 0.695 319 D CB -1.321 39.477 40.800 -0.003 0.000 1.078 319 D HN 0.821 nan 8.370 nan 0.000 0.434 320 R N -2.298 118.201 120.500 -0.003 0.000 4.000 320 R HA -0.254 4.086 4.340 -0.000 0.000 0.362 320 R C 0.229 176.525 176.300 -0.007 0.000 1.183 320 R CA 1.634 57.732 56.100 -0.003 0.000 1.011 320 R CB -1.454 28.845 30.300 -0.002 0.000 1.501 320 R HN 0.421 nan 8.270 nan 0.000 0.553 321 K N 0.725 121.119 120.400 -0.010 0.000 2.106 321 K HA 0.640 4.960 4.320 -0.000 0.000 0.246 321 K C -0.108 176.477 176.600 -0.025 0.000 0.987 321 K CA -0.591 55.687 56.287 -0.015 0.000 0.904 321 K CB 0.956 33.447 32.500 -0.015 0.000 1.071 321 K HN -0.066 nan 8.250 nan 0.000 0.453 322 L N 0.989 122.192 121.223 -0.033 0.000 2.386 322 L HA 0.601 4.941 4.340 -0.000 0.000 0.271 322 L C -1.066 175.767 176.870 -0.061 0.000 0.993 322 L CA -0.874 53.933 54.840 -0.054 0.000 0.819 322 L CB 2.165 44.188 42.059 -0.060 0.000 1.294 322 L HN 0.665 nan 8.230 nan 0.000 0.414 323 A N 2.037 124.811 122.820 -0.078 0.000 2.332 323 A HA 0.393 4.713 4.320 -0.000 0.000 0.300 323 A C -0.596 176.934 177.584 -0.090 0.000 1.153 323 A CA -0.494 51.485 52.037 -0.098 0.000 0.764 323 A CB 1.138 20.083 19.000 -0.093 0.000 1.174 323 A HN 0.727 nan 8.150 nan 0.000 0.467 324 E N 2.266 122.412 120.200 -0.089 0.000 2.220 324 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 324 E C 0.444 177.052 176.600 0.013 0.000 1.099 324 E CA 0.328 56.729 56.400 0.002 0.000 0.907 324 E CB 0.480 30.256 29.700 0.128 0.000 1.022 324 E HN 0.707 nan 8.360 nan 0.000 0.428 325 V N 1.347 121.313 119.914 0.087 0.000 3.368 325 V HA 0.458 4.578 4.120 -0.000 0.000 0.255 325 V C 0.665 176.891 176.094 0.221 0.000 1.466 325 V CA 0.348 62.717 62.300 0.114 0.000 1.095 325 V CB -0.017 31.838 31.823 0.054 0.000 0.899 325 V HN 0.820 nan 8.190 nan 0.000 0.440 326 G N 0.745 109.721 108.800 0.293 0.000 2.675 326 G HA2 0.105 4.065 3.960 -0.000 0.000 0.686 326 G HA3 0.105 4.065 3.960 -0.000 0.000 0.686 326 G C -0.748 174.373 174.900 0.367 0.000 1.215 326 G CA -0.156 45.165 45.100 0.369 0.000 0.777 326 G HN 0.880 nan 8.290 nan 0.000 0.638 327 R N -0.541 120.148 120.500 0.315 0.000 2.668 327 R HA 0.711 5.051 4.340 -0.000 0.000 0.272 327 R C -1.261 175.038 176.300 -0.002 0.000 1.019 327 R CA -0.802 55.327 56.100 0.048 0.000 0.894 327 R CB 2.173 32.214 30.300 -0.431 0.000 1.228 327 R HN 0.876 nan 8.270 nan 0.000 0.460 328 V N 3.749 123.593 119.914 -0.115 0.000 2.604 328 V HA 0.516 4.636 4.120 -0.000 0.000 0.305 328 V C -1.358 174.510 176.094 -0.376 0.000 1.043 328 V CA -0.680 61.533 62.300 -0.144 0.000 0.888 328 V CB 1.750 33.516 31.823 -0.095 0.000 0.995 328 V HN 0.637 nan 8.190 nan 0.000 0.429 329 Y N 4.173 124.420 120.300 -0.088 0.000 2.341 329 Y HA 0.671 5.221 4.550 -0.000 0.000 0.338 329 Y C -0.273 175.460 175.900 -0.278 0.000 0.965 329 Y CA -0.839 57.140 58.100 -0.202 0.000 1.108 329 Y CB 1.812 40.226 38.460 -0.076 0.000 1.180 329 Y HN 0.506 nan 8.280 nan 0.000 0.458 330 L N 4.699 125.761 121.223 -0.269 0.000 2.282 330 L HA 0.608 4.948 4.340 -0.000 0.000 0.288 330 L C -1.753 174.897 176.870 -0.367 0.000 1.033 330 L CA -0.676 54.047 54.840 -0.194 0.000 0.807 330 L CB 0.044 42.026 42.059 -0.128 0.000 1.209 330 L HN 0.410 nan 8.230 nan 0.000 0.423 331 F N 5.952 125.951 119.950 0.082 0.000 2.382 331 F HA 0.445 4.972 4.527 -0.000 0.000 0.361 331 F C -0.131 175.718 175.800 0.083 0.000 1.109 331 F CA -0.633 57.413 58.000 0.076 0.000 1.031 331 F CB 0.934 39.971 39.000 0.063 0.000 1.234 331 F HN 0.233 nan 8.300 nan 0.000 0.445 332 L N 3.195 124.532 121.223 0.189 0.000 2.416 332 L HA 0.194 4.534 4.340 -0.000 0.000 0.272 332 L C 0.497 177.468 176.870 0.168 0.000 1.161 332 L CA -0.248 54.683 54.840 0.152 0.000 0.845 332 L CB 0.742 42.859 42.059 0.097 0.000 1.119 332 L HN 0.611 nan 8.230 nan 0.000 0.464 333 Q N 5.638 125.531 119.800 0.155 0.000 2.296 333 Q HA 0.226 4.566 4.340 -0.000 0.000 0.263 333 Q C -2.179 173.887 176.000 0.110 0.000 1.026 333 Q CA -1.644 54.244 55.803 0.141 0.000 0.912 333 Q CB 1.080 29.885 28.738 0.111 0.000 1.198 333 Q HN 0.301 nan 8.270 nan 0.000 0.407 334 P HA 0.110 nan 4.420 nan 0.000 0.276 334 P C -1.006 176.372 177.300 0.131 0.000 1.261 334 P CA -0.232 62.943 63.100 0.125 0.000 0.800 334 P CB 0.769 32.557 31.700 0.147 0.000 1.066 335 R N 0.260 120.840 120.500 0.133 0.000 2.489 335 R HA 0.452 4.792 4.340 -0.000 0.000 0.287 335 R C 1.066 177.460 176.300 0.156 0.000 1.053 335 R CA 0.908 57.078 56.100 0.117 0.000 1.036 335 R CB -0.557 29.803 30.300 0.099 0.000 0.966 335 R HN 0.907 nan 8.270 nan 0.000 0.432 336 G N 3.807 112.644 108.800 0.062 0.000 2.615 336 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 336 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 336 G C -1.841 173.013 174.900 -0.076 0.000 1.339 336 G CA -0.448 44.630 45.100 -0.036 0.000 0.884 336 G HN 0.533 nan 8.290 nan 0.000 0.559 337 P HA 0.132 nan 4.420 nan 0.000 0.249 337 P C 0.604 177.880 177.300 -0.040 0.000 1.229 337 P CA 0.507 63.535 63.100 -0.119 0.000 0.788 337 P CB -0.155 31.453 31.700 -0.153 0.000 1.072 338 H N 0.704 119.843 119.070 0.116 0.000 2.822 338 H HA 0.315 4.871 4.556 -0.000 0.000 0.373 338 H C 0.887 176.338 175.328 0.205 0.000 1.223 338 H CA -0.246 55.877 56.048 0.125 0.000 1.436 338 H CB 0.312 30.129 29.762 0.092 0.000 1.439 338 H HN 0.073 nan 8.280 nan 0.000 0.618 339 A N 1.719 124.743 122.820 0.340 0.000 2.440 339 A HA 0.201 4.521 4.320 -0.000 0.000 0.251 339 A C -0.461 177.234 177.584 0.185 0.000 1.089 339 A CA -0.631 51.608 52.037 0.337 0.000 0.779 339 A CB -0.076 19.070 19.000 0.245 0.000 1.022 339 A HN 0.416 nan 8.150 nan 0.000 0.492 340 L N 3.340 124.564 121.223 0.003 0.000 2.562 340 L HA 0.221 4.561 4.340 -0.000 0.000 0.271 340 L C 1.385 178.303 176.870 0.079 0.000 1.167 340 L CA 1.300 56.122 54.840 -0.030 0.000 0.917 340 L CB -0.303 41.615 42.059 -0.235 0.000 1.187 340 L HN 0.906 nan 8.230 nan 0.000 0.482 341 G N 2.609 111.494 108.800 0.143 0.000 2.679 341 G HA2 0.487 4.447 3.960 -0.000 0.000 0.202 341 G HA3 0.487 4.447 3.960 -0.000 0.000 0.202 341 G C 0.072 175.104 174.900 0.220 0.000 1.566 341 G CA 0.035 45.222 45.100 0.144 0.000 1.074 341 G HN 0.871 nan 8.290 nan 0.000 0.564 342 A N -0.042 122.883 122.820 0.175 0.000 2.366 342 A HA 0.563 4.883 4.320 -0.000 0.000 0.250 342 A C -2.068 175.621 177.584 0.174 0.000 1.099 342 A CA -0.625 51.525 52.037 0.187 0.000 0.794 342 A CB -0.443 18.616 19.000 0.099 0.000 1.056 342 A HN 0.407 nan 8.150 nan 0.000 0.499 343 P HA 0.153 nan 4.420 nan 0.000 0.268 343 P C 0.353 177.565 177.300 -0.147 0.000 1.205 343 P CA 0.163 63.062 63.100 -0.335 0.000 0.771 343 P CB 0.790 32.311 31.700 -0.299 0.000 0.858 344 S N 1.317 116.922 115.700 -0.158 0.000 2.436 344 S HA 0.082 4.552 4.470 -0.000 0.000 0.228 344 S C 0.481 175.024 174.600 -0.095 0.000 1.014 344 S CA 0.539 58.694 58.200 -0.076 0.000 0.950 344 S CB -0.307 62.870 63.200 -0.038 0.000 0.784 344 S HN 0.404 nan 8.310 nan 0.000 0.504 345 L N 0.560 121.693 121.223 -0.151 0.000 2.549 345 L HA 0.470 4.810 4.340 -0.000 0.000 0.259 345 L C -2.114 174.632 176.870 -0.207 0.000 0.934 345 L CA -0.385 54.366 54.840 -0.149 0.000 0.865 345 L CB 1.286 43.265 42.059 -0.133 0.000 1.352 345 L HN -0.020 nan 8.230 nan 0.000 0.410 346 L N 5.602 126.700 121.223 -0.207 0.000 2.305 346 L HA 0.581 4.921 4.340 -0.000 0.000 0.284 346 L C -0.914 175.793 176.870 -0.271 0.000 1.013 346 L CA -0.577 54.083 54.840 -0.301 0.000 0.819 346 L CB 1.607 43.497 42.059 -0.281 0.000 1.227 346 L HN 0.518 nan 8.230 nan 0.000 0.417 347 L N 3.137 124.183 121.223 -0.295 0.000 2.322 347 L HA 0.600 4.940 4.340 -0.000 0.000 0.281 347 L C -0.309 176.418 176.870 -0.239 0.000 1.014 347 L CA -0.236 54.464 54.840 -0.234 0.000 0.815 347 L CB 2.117 44.035 42.059 -0.235 0.000 1.247 347 L HN 0.561 nan 8.230 nan 0.000 0.421 348 T N 1.331 115.656 114.554 -0.382 0.000 2.861 348 T HA 0.479 4.829 4.350 -0.000 0.000 0.287 348 T C 0.325 174.592 174.700 -0.721 0.000 1.003 348 T CA -0.566 61.285 62.100 -0.415 0.000 0.977 348 T CB 1.897 70.644 68.868 -0.201 0.000 0.996 348 T HN 0.699 nan 8.240 nan 0.000 0.448 349 G N 0.651 109.041 108.800 -0.684 0.000 2.634 349 G HA2 0.409 4.369 3.960 -0.000 0.000 0.255 349 G HA3 0.409 4.369 3.960 -0.000 0.000 0.255 349 G C 0.958 175.720 174.900 -0.230 0.000 1.205 349 G CA 0.201 44.959 45.100 -0.570 0.000 0.884 349 G HN 0.826 nan 8.290 nan 0.000 0.549 350 T N -3.411 111.070 114.554 -0.122 0.000 2.989 350 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 350 T C 0.875 175.565 174.700 -0.017 0.000 0.981 350 T CA 0.053 62.117 62.100 -0.061 0.000 0.980 350 T CB 0.100 68.937 68.868 -0.052 0.000 1.133 350 T HN 0.416 nan 8.240 nan 0.000 0.489 351 Q N 1.991 121.806 119.800 0.025 0.000 2.294 351 Q HA 0.502 4.842 4.340 -0.000 0.000 0.257 351 Q C -0.520 175.495 176.000 0.025 0.000 0.955 351 Q CA -0.767 55.061 55.803 0.042 0.000 0.936 351 Q CB 0.686 29.481 28.738 0.096 0.000 1.188 351 Q HN 0.435 nan 8.270 nan 0.000 0.420 352 L N 6.026 127.211 121.223 -0.064 0.000 2.640 352 L HA -0.108 4.232 4.340 -0.000 0.000 0.280 352 L C -0.599 176.196 176.870 -0.124 0.000 1.229 352 L CA 1.303 55.997 54.840 -0.242 0.000 0.919 352 L CB -0.469 41.352 42.059 -0.396 0.000 1.168 352 L HN 0.839 nan 8.230 nan 0.000 0.496 353 Y N 1.313 121.663 120.300 0.083 0.000 4.668 353 Y HA -0.244 4.306 4.550 -0.000 0.000 0.234 353 Y C 1.709 177.705 175.900 0.160 0.000 1.056 353 Y CA 0.925 59.076 58.100 0.086 0.000 2.025 353 Y CB -2.286 36.194 38.460 0.033 0.000 1.613 353 Y HN 0.676 nan 8.280 nan 0.000 0.653 354 G N -0.012 108.964 108.800 0.293 0.000 2.484 354 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.218 354 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.218 354 G C 0.900 176.011 174.900 0.353 0.000 1.130 354 G CA 0.395 45.689 45.100 0.324 0.000 0.784 354 G HN 0.472 nan 8.290 nan 0.000 0.543 355 R N -1.447 119.245 120.500 0.319 0.000 3.336 355 R HA -0.195 4.145 4.340 -0.000 0.000 0.260 355 R C -0.259 176.186 176.300 0.242 0.000 1.032 355 R CA 0.169 56.431 56.100 0.270 0.000 0.693 355 R CB -2.440 28.028 30.300 0.279 0.000 1.134 355 R HN 0.373 nan 8.270 nan 0.000 0.433 356 F N 1.081 121.108 119.950 0.128 0.000 2.602 356 F HA 0.195 4.722 4.527 -0.000 0.000 0.385 356 F C 1.538 177.381 175.800 0.072 0.000 1.063 356 F CA 1.896 59.956 58.000 0.099 0.000 1.233 356 F CB 0.569 39.625 39.000 0.095 0.000 1.067 356 F HN 0.429 nan 8.300 nan 0.000 0.564 357 G N 3.208 111.760 108.800 -0.413 0.000 2.144 357 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.218 357 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.218 357 G C 1.041 175.887 174.900 -0.090 0.000 0.988 357 G CA 0.439 45.377 45.100 -0.270 0.000 0.659 357 G HN 0.938 nan 8.290 nan 0.000 0.522 358 S N -0.628 115.023 115.700 -0.082 0.000 2.383 358 S HA 0.501 4.971 4.470 -0.000 0.000 0.227 358 S C 1.285 175.905 174.600 0.032 0.000 1.026 358 S CA 2.055 60.227 58.200 -0.046 0.000 0.981 358 S CB -0.092 63.099 63.200 -0.016 0.000 0.818 358 S HN 1.977 nan 8.310 nan 0.000 0.472 359 A N 0.245 123.014 122.820 -0.085 0.000 2.449 359 A HA 0.752 5.072 4.320 -0.000 0.000 0.302 359 A C -1.199 176.309 177.584 -0.126 0.000 1.048 359 A CA -0.718 51.249 52.037 -0.117 0.000 0.708 359 A CB 1.163 20.056 19.000 -0.178 0.000 1.274 359 A HN 0.388 nan 8.150 nan 0.000 0.410 360 I N 1.398 121.909 120.570 -0.099 0.000 2.478 360 I HA 0.578 4.748 4.170 -0.000 0.000 0.287 360 I C 0.070 176.154 176.117 -0.055 0.000 1.042 360 I CA -0.517 60.731 61.300 -0.087 0.000 1.067 360 I CB 2.055 40.008 38.000 -0.078 0.000 1.233 360 I HN 0.739 nan 8.210 nan 0.000 0.431 361 A N 7.744 130.542 122.820 -0.036 0.000 2.304 361 A HA 0.829 5.149 4.320 -0.000 0.000 0.314 361 A C -2.732 174.860 177.584 0.014 0.000 1.187 361 A CA -1.716 50.316 52.037 -0.009 0.000 0.810 361 A CB 0.834 19.832 19.000 -0.002 0.000 1.183 361 A HN 0.336 nan 8.150 nan 0.000 0.487 362 P HA 0.166 nan 4.420 nan 0.000 0.268 362 P C 0.174 177.497 177.300 0.038 0.000 1.204 362 P CA 0.173 63.288 63.100 0.026 0.000 0.768 362 P CB 0.534 32.242 31.700 0.013 0.000 0.842 363 L N 1.664 122.912 121.223 0.041 0.000 2.693 363 L HA 0.281 4.621 4.340 -0.000 0.000 0.235 363 L C 1.387 178.271 176.870 0.024 0.000 1.127 363 L CA 0.099 54.964 54.840 0.041 0.000 0.914 363 L CB -0.563 41.525 42.059 0.049 0.000 1.193 363 L HN 0.668 nan 8.230 nan 0.000 0.502 364 G N 1.185 109.997 108.800 0.019 0.000 2.601 364 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.261 364 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.261 364 G C -0.358 174.557 174.900 0.025 0.000 1.289 364 G CA -0.004 45.100 45.100 0.008 0.000 0.920 364 G HN 0.301 nan 8.290 nan 0.000 0.571 365 D N 0.291 120.697 120.400 0.010 0.000 2.441 365 D HA 0.424 5.064 4.640 -0.000 0.000 0.221 365 D C 1.434 177.757 176.300 0.039 0.000 1.156 365 D CA -0.446 53.571 54.000 0.028 0.000 0.896 365 D CB 0.910 41.710 40.800 0.000 0.000 1.028 365 D HN 0.406 nan 8.370 nan 0.000 0.509 366 L N 3.782 125.049 121.223 0.073 0.000 2.027 366 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 366 L C 1.479 178.459 176.870 0.183 0.000 1.074 366 L CA 1.768 56.675 54.840 0.111 0.000 0.745 366 L CB -0.078 42.033 42.059 0.087 0.000 0.898 366 L HN 0.414 nan 8.230 nan 0.000 0.433 367 D N -1.668 118.819 120.400 0.145 0.000 2.349 367 D HA -0.046 4.594 4.640 -0.000 0.000 0.214 367 D C 0.537 176.928 176.300 0.150 0.000 1.063 367 D CA -0.181 53.924 54.000 0.175 0.000 0.847 367 D CB -0.229 40.642 40.800 0.118 0.000 0.933 367 D HN 0.253 nan 8.370 nan 0.000 0.513 368 R N 0.685 121.226 120.500 0.069 0.000 3.267 368 R HA -0.130 4.210 4.340 -0.000 0.000 0.254 368 R C -0.206 176.104 176.300 0.017 0.000 0.993 368 R CA 0.971 57.064 56.100 -0.013 0.000 0.670 368 R CB -1.698 28.530 30.300 -0.120 0.000 1.125 368 R HN 0.432 nan 8.270 nan 0.000 0.434 369 D N -1.435 118.997 120.400 0.053 0.000 2.398 369 D HA 0.148 4.788 4.640 -0.000 0.000 0.210 369 D C 1.209 177.523 176.300 0.023 0.000 1.094 369 D CA 0.693 54.740 54.000 0.078 0.000 0.839 369 D CB 0.525 41.417 40.800 0.153 0.000 0.963 369 D HN 0.424 nan 8.370 nan 0.000 0.506 370 G N -0.356 108.402 108.800 -0.070 0.000 2.184 370 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.206 370 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.206 370 G C -0.473 174.137 174.900 -0.484 0.000 0.995 370 G CA -0.192 44.736 45.100 -0.287 0.000 0.651 370 G HN 0.337 nan 8.290 nan 0.000 0.511 371 Y N 0.911 121.217 120.300 0.011 0.000 2.406 371 Y HA 0.569 5.119 4.550 -0.000 0.000 0.340 371 Y C 0.271 176.185 175.900 0.023 0.000 0.975 371 Y CA -1.270 56.841 58.100 0.019 0.000 1.056 371 Y CB 1.349 39.824 38.460 0.025 0.000 1.210 371 Y HN 0.014 nan 8.280 nan 0.000 0.448 372 N N 2.846 121.641 118.700 0.159 0.000 2.444 372 N HA 0.180 4.920 4.740 -0.000 0.000 0.255 372 N C -0.932 174.648 175.510 0.118 0.000 1.255 372 N CA 0.058 53.172 53.050 0.107 0.000 0.933 372 N CB 0.698 39.231 38.487 0.078 0.000 1.143 372 N HN 0.630 nan 8.380 nan 0.000 0.453 373 D N 0.052 120.508 120.400 0.093 0.000 2.531 373 D HA 0.540 5.180 4.640 -0.000 0.000 0.244 373 D C 0.121 176.474 176.300 0.087 0.000 1.090 373 D CA -0.358 53.701 54.000 0.098 0.000 0.989 373 D CB 2.038 42.893 40.800 0.092 0.000 1.433 373 D HN 0.465 nan 8.370 nan 0.000 0.492 374 I N -3.036 117.601 120.570 0.112 0.000 2.934 374 I HA 0.834 5.004 4.170 -0.000 0.000 0.306 374 I C -1.306 174.885 176.117 0.125 0.000 1.110 374 I CA -1.139 60.220 61.300 0.099 0.000 1.019 374 I CB 2.311 40.359 38.000 0.080 0.000 1.227 374 I HN 0.344 nan 8.210 nan 0.000 0.434 375 A N 4.070 126.934 122.820 0.073 0.000 2.318 375 A HA 0.801 5.121 4.320 -0.000 0.000 0.324 375 A C -0.863 176.735 177.584 0.023 0.000 1.170 375 A CA -0.618 51.451 52.037 0.052 0.000 0.810 375 A CB 1.514 20.508 19.000 -0.010 0.000 1.198 375 A HN 0.561 nan 8.150 nan 0.000 0.484 376 V N 1.715 121.653 119.914 0.040 0.000 2.495 376 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 376 V C 0.563 176.556 176.094 -0.167 0.000 1.031 376 V CA -0.412 61.806 62.300 -0.137 0.000 0.871 376 V CB 1.527 33.162 31.823 -0.313 0.000 0.988 376 V HN 1.184 nan 8.190 nan 0.000 0.432 377 A N 3.546 126.242 122.820 -0.207 0.000 2.310 377 A HA 0.855 5.175 4.320 -0.000 0.000 0.299 377 A C 0.218 177.740 177.584 -0.103 0.000 1.147 377 A CA -0.157 51.798 52.037 -0.135 0.000 0.818 377 A CB 1.020 19.940 19.000 -0.133 0.000 1.096 377 A HN 1.423 nan 8.150 nan 0.000 0.495 378 A N 3.891 126.741 122.820 0.050 0.000 2.586 378 A HA 0.660 4.980 4.320 -0.000 0.000 0.320 378 A C -2.271 175.394 177.584 0.136 0.000 1.281 378 A CA -1.339 50.796 52.037 0.163 0.000 0.775 378 A CB 0.609 19.797 19.000 0.314 0.000 1.122 378 A HN 0.463 nan 8.150 nan 0.000 0.470 379 P HA -0.069 nan 4.420 nan 0.000 0.226 379 P C -0.128 176.924 177.300 -0.413 0.000 1.153 379 P CA 1.452 64.463 63.100 -0.149 0.000 0.777 379 P CB -0.050 31.527 31.700 -0.204 0.000 0.794 380 Y N -1.866 118.550 120.300 0.193 0.000 2.716 380 Y HA 0.465 5.015 4.550 -0.000 0.000 0.260 380 Y C 1.489 177.494 175.900 0.174 0.000 1.141 380 Y CA -0.719 57.484 58.100 0.172 0.000 1.168 380 Y CB 0.064 38.618 38.460 0.157 0.000 1.189 380 Y HN -0.166 nan 8.280 nan 0.000 0.549 381 G N -0.329 108.625 108.800 0.257 0.000 2.583 381 G HA2 0.574 4.534 3.960 -0.000 0.000 0.280 381 G HA3 0.574 4.534 3.960 -0.000 0.000 0.280 381 G C 0.264 175.269 174.900 0.175 0.000 1.376 381 G CA -0.146 45.087 45.100 0.221 0.000 1.043 381 G HN 0.554 nan 8.290 nan 0.000 0.538 382 G N -1.369 107.518 108.800 0.145 0.000 2.758 382 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.686 382 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.686 382 G C -1.208 173.743 174.900 0.085 0.000 1.389 382 G CA 0.050 45.212 45.100 0.103 0.000 0.845 382 G HN 0.594 nan 8.290 nan 0.000 0.572 383 P HA -0.091 nan 4.420 nan 0.000 0.220 383 P C 1.783 179.115 177.300 0.053 0.000 1.148 383 P CA 2.176 65.304 63.100 0.048 0.000 0.803 383 P CB -0.112 31.607 31.700 0.032 0.000 0.782 384 S N -1.833 113.902 115.700 0.057 0.000 2.528 384 S HA 0.258 4.728 4.470 -0.000 0.000 0.219 384 S C 1.775 176.427 174.600 0.087 0.000 0.985 384 S CA 0.605 58.840 58.200 0.058 0.000 0.914 384 S CB -1.201 62.024 63.200 0.042 0.000 0.776 384 S HN 0.291 nan 8.310 nan 0.000 0.526 385 G N 1.981 110.850 108.800 0.115 0.000 2.162 385 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 385 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 385 G C 0.898 175.911 174.900 0.187 0.000 0.976 385 G CA 0.440 45.641 45.100 0.168 0.000 0.655 385 G HN 0.560 nan 8.290 nan 0.000 0.533 386 R N 0.369 120.948 120.500 0.131 0.000 2.275 386 R HA 0.417 4.757 4.340 -0.000 0.000 0.199 386 R C 1.335 177.711 176.300 0.126 0.000 0.989 386 R CA 0.770 56.938 56.100 0.114 0.000 1.016 386 R CB 0.195 30.528 30.300 0.054 0.000 0.918 386 R HN 1.475 nan 8.270 nan 0.000 0.473 387 G N 0.858 109.754 108.800 0.159 0.000 2.697 387 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.684 387 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.684 387 G C -1.438 173.668 174.900 0.344 0.000 1.274 387 G CA -0.893 44.358 45.100 0.251 0.000 0.806 387 G HN 0.108 nan 8.290 nan 0.000 0.644 388 Q N -0.546 119.477 119.800 0.371 0.000 2.340 388 Q HA 0.652 4.992 4.340 -0.000 0.000 0.276 388 Q C -1.167 174.986 176.000 0.255 0.000 1.048 388 Q CA -0.912 55.088 55.803 0.328 0.000 0.832 388 Q CB 2.892 31.754 28.738 0.207 0.000 1.373 388 Q HN 0.846 nan 8.270 nan 0.000 0.409 389 V N 3.713 123.753 119.914 0.210 0.000 2.555 389 V HA 0.534 4.654 4.120 -0.000 0.000 0.302 389 V C -0.969 175.138 176.094 0.021 0.000 1.038 389 V CA -0.695 61.626 62.300 0.035 0.000 0.887 389 V CB 1.581 33.339 31.823 -0.108 0.000 0.991 389 V HN 0.611 nan 8.190 nan 0.000 0.434 390 L N 5.151 126.393 121.223 0.032 0.000 2.333 390 L HA 0.597 4.936 4.340 -0.000 0.000 0.280 390 L C -0.263 176.532 176.870 -0.124 0.000 1.004 390 L CA -0.309 54.500 54.840 -0.052 0.000 0.820 390 L CB 1.921 44.023 42.059 0.072 0.000 1.247 390 L HN 0.365 nan 8.230 nan 0.000 0.416 391 V N 3.589 123.351 119.914 -0.252 0.000 2.407 391 V HA 0.433 4.553 4.120 -0.000 0.000 0.278 391 V C -0.518 175.377 176.094 -0.333 0.000 1.037 391 V CA -0.299 61.903 62.300 -0.162 0.000 0.900 391 V CB 0.887 32.647 31.823 -0.104 0.000 0.983 391 V HN 0.391 nan 8.190 nan 0.000 0.459 392 F N 4.675 124.638 119.950 0.021 0.000 2.467 392 F HA 0.587 5.114 4.527 -0.000 0.000 0.336 392 F C 0.077 175.888 175.800 0.019 0.000 1.123 392 F CA -0.644 57.370 58.000 0.023 0.000 0.964 392 F CB 1.476 40.494 39.000 0.031 0.000 1.136 392 F HN 0.205 nan 8.300 nan 0.000 0.447 393 L N 2.869 124.188 121.223 0.160 0.000 2.350 393 L HA 0.558 4.897 4.340 -0.000 0.000 0.275 393 L C 0.898 177.821 176.870 0.089 0.000 1.099 393 L CA -0.727 54.176 54.840 0.105 0.000 0.808 393 L CB 0.864 42.961 42.059 0.063 0.000 1.149 393 L HN 0.771 nan 8.230 nan 0.000 0.442 394 G N 1.794 110.648 108.800 0.090 0.000 2.569 394 G HA2 0.460 4.420 3.960 -0.000 0.000 0.249 394 G HA3 0.460 4.420 3.960 -0.000 0.000 0.249 394 G C -0.637 174.190 174.900 -0.121 0.000 1.216 394 G CA -0.180 44.955 45.100 0.058 0.000 0.845 394 G HN 0.757 nan 8.290 nan 0.000 0.568 395 Q N -1.602 118.004 119.800 -0.324 0.000 2.737 395 Q HA 0.481 4.821 4.340 -0.000 0.000 0.307 395 Q C 0.862 176.440 176.000 -0.704 0.000 0.905 395 Q CA -0.214 55.114 55.803 -0.791 0.000 0.753 395 Q CB 0.790 29.300 28.738 -0.380 0.000 1.463 395 Q HN 0.571 nan 8.270 nan 0.000 0.455 396 S N -0.689 114.630 115.700 -0.635 0.000 2.423 396 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 396 S C 0.921 175.491 174.600 -0.049 0.000 1.014 396 S CA 1.537 59.655 58.200 -0.136 0.000 0.965 396 S CB -0.294 62.901 63.200 -0.010 0.000 0.785 396 S HN 0.621 nan 8.310 nan 0.000 0.495 397 E N 0.764 120.911 120.200 -0.088 0.000 2.478 397 E HA 0.381 4.731 4.350 -0.000 0.000 0.194 397 E C 1.293 177.875 176.600 -0.030 0.000 1.045 397 E CA 0.287 56.662 56.400 -0.041 0.000 0.868 397 E CB 0.310 29.983 29.700 -0.044 0.000 0.885 397 E HN 0.689 nan 8.360 nan 0.000 0.505 398 G N 0.353 109.128 108.800 -0.042 0.000 1.732 398 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.054 398 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.054 398 G C -1.058 173.829 174.900 -0.023 0.000 0.951 398 G CA -0.794 44.297 45.100 -0.015 0.000 1.146 398 G HN 0.041 nan 8.290 nan 0.000 0.353 399 L N 1.240 122.448 121.223 -0.026 0.000 2.370 399 L HA 0.664 5.004 4.340 -0.000 0.000 0.266 399 L C 0.241 177.118 176.870 0.012 0.000 1.002 399 L CA -1.280 53.561 54.840 0.001 0.000 0.818 399 L CB 2.025 44.081 42.059 -0.005 0.000 1.325 399 L HN 0.350 nan 8.230 nan 0.000 0.418 400 R N 0.726 121.260 120.500 0.056 0.000 2.698 400 R HA -0.009 4.331 4.340 -0.000 0.000 0.266 400 R C 0.952 177.348 176.300 0.159 0.000 1.026 400 R CA 0.102 56.251 56.100 0.082 0.000 1.102 400 R CB 0.443 30.796 30.300 0.087 0.000 0.978 400 R HN 0.662 nan 8.270 nan 0.000 0.436 401 S N 1.828 117.595 115.700 0.111 0.000 2.446 401 S HA 0.045 4.515 4.470 -0.000 0.000 0.225 401 S C 0.366 175.103 174.600 0.227 0.000 1.016 401 S CA 0.684 58.947 58.200 0.105 0.000 0.943 401 S CB 0.362 63.585 63.200 0.038 0.000 0.786 401 S HN 0.403 nan 8.310 nan 0.000 0.508 402 R N 1.304 121.931 120.500 0.211 0.000 2.778 402 R HA 0.490 4.830 4.340 -0.000 0.000 0.277 402 R C -2.807 173.504 176.300 0.018 0.000 0.977 402 R CA -2.345 53.852 56.100 0.162 0.000 0.950 402 R CB 1.249 31.580 30.300 0.051 0.000 1.165 402 R HN 0.191 nan 8.270 nan 0.000 0.474 403 P HA 0.114 nan 4.420 nan 0.000 0.278 403 P C -0.367 176.765 177.300 -0.279 0.000 1.238 403 P CA -0.185 62.529 63.100 -0.643 0.000 0.794 403 P CB 1.323 32.568 31.700 -0.759 0.000 0.955 404 S N 0.219 115.779 115.700 -0.234 0.000 2.501 404 S HA 0.013 4.483 4.470 -0.000 0.000 0.220 404 S C 0.655 175.192 174.600 -0.106 0.000 0.997 404 S CA 0.434 58.565 58.200 -0.116 0.000 0.919 404 S CB -0.113 63.048 63.200 -0.065 0.000 0.778 404 S HN 0.588 nan 8.310 nan 0.000 0.523 405 Q N 0.335 120.045 119.800 -0.149 0.000 2.403 405 Q HA 0.456 4.795 4.340 -0.000 0.000 0.267 405 Q C -2.223 173.699 176.000 -0.130 0.000 0.991 405 Q CA -0.352 55.386 55.803 -0.109 0.000 0.906 405 Q CB 1.740 30.429 28.738 -0.082 0.000 1.422 405 Q HN 0.044 nan 8.270 nan 0.000 0.400 406 V N 4.554 124.418 119.914 -0.083 0.000 2.448 406 V HA 0.490 4.610 4.120 -0.000 0.000 0.295 406 V C -0.637 175.441 176.094 -0.026 0.000 1.025 406 V CA -0.616 61.652 62.300 -0.053 0.000 0.859 406 V CB 1.661 33.468 31.823 -0.026 0.000 0.988 406 V HN 0.694 nan 8.190 nan 0.000 0.431 407 L N 4.485 125.701 121.223 -0.013 0.000 2.276 407 L HA 0.535 4.875 4.340 -0.000 0.000 0.286 407 L C -0.330 176.616 176.870 0.128 0.000 1.024 407 L CA -0.461 54.386 54.840 0.013 0.000 0.826 407 L CB 1.226 43.191 42.059 -0.157 0.000 1.211 407 L HN 0.526 nan 8.230 nan 0.000 0.422 408 D N 1.610 122.036 120.400 0.043 0.000 2.255 408 D HA 0.065 4.705 4.640 -0.000 0.000 0.249 408 D C 0.106 176.224 176.300 -0.304 0.000 1.078 408 D CA 0.001 53.981 54.000 -0.034 0.000 0.896 408 D CB 2.047 42.825 40.800 -0.035 0.000 1.194 408 D HN 0.347 nan 8.370 nan 0.000 0.429 409 S N 2.059 117.418 115.700 -0.569 0.000 2.544 409 S HA 0.059 4.529 4.470 -0.000 0.000 0.290 409 S C -1.502 172.718 174.600 -0.633 0.000 1.276 409 S CA -0.978 56.510 58.200 -1.186 0.000 1.075 409 S CB 0.566 63.374 63.200 -0.653 0.000 0.849 409 S HN 0.276 nan 8.310 nan 0.000 0.494 410 P HA 0.193 nan 4.420 nan 0.000 0.249 410 P C -0.415 176.559 177.300 -0.543 0.000 1.229 410 P CA 0.096 62.874 63.100 -0.537 0.000 0.788 410 P CB -0.035 31.384 31.700 -0.468 0.000 1.072 411 F N 1.021 120.881 119.950 -0.150 0.000 2.461 411 F HA 0.529 5.056 4.527 -0.000 0.000 0.332 411 F C -1.703 174.052 175.800 -0.075 0.000 1.073 411 F CA -2.787 55.158 58.000 -0.092 0.000 1.017 411 F CB -0.884 38.104 39.000 -0.021 0.000 1.301 411 F HN -0.292 nan 8.300 nan 0.000 0.492 412 P HA 0.183 nan 4.420 nan 0.000 0.275 412 P C -0.733 176.617 177.300 0.084 0.000 1.266 412 P CA -0.463 62.684 63.100 0.079 0.000 0.793 412 P CB 0.200 31.931 31.700 0.052 0.000 1.074 413 T N 0.357 114.950 114.554 0.066 0.000 2.946 413 T HA 0.302 4.652 4.350 -0.000 0.000 0.312 413 T C 1.307 176.057 174.700 0.083 0.000 1.066 413 T CA 1.531 63.681 62.100 0.083 0.000 1.138 413 T CB -0.600 68.312 68.868 0.072 0.000 1.014 413 T HN 0.846 nan 8.240 nan 0.000 0.544 414 G N 1.786 110.659 108.800 0.121 0.000 2.175 414 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.244 414 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.244 414 G C 1.158 176.058 174.900 0.000 0.000 0.982 414 G CA 0.774 45.941 45.100 0.111 0.000 0.641 414 G HN 1.057 nan 8.290 nan 0.000 0.527 415 S N -0.120 115.566 115.700 -0.024 0.000 2.489 415 S HA 0.437 4.907 4.470 -0.000 0.000 0.228 415 S C 1.998 176.432 174.600 -0.278 0.000 0.995 415 S CA 1.604 59.728 58.200 -0.125 0.000 0.934 415 S CB -0.119 63.078 63.200 -0.005 0.000 0.771 415 S HN 2.369 nan 8.310 nan 0.000 0.522 416 A N 0.103 122.741 122.820 -0.303 0.000 2.832 416 A HA -0.213 4.107 4.320 -0.000 0.000 0.280 416 A C 0.184 177.699 177.584 -0.114 0.000 1.464 416 A CA 0.631 52.397 52.037 -0.453 0.000 0.804 416 A CB -3.014 15.582 19.000 -0.674 0.000 1.020 416 A HN 1.086 nan 8.150 nan 0.000 0.563 417 F N 0.382 120.278 119.950 -0.090 0.000 2.512 417 F HA 0.320 4.847 4.527 -0.000 0.000 0.406 417 F C 1.449 177.297 175.800 0.080 0.000 0.990 417 F CA 1.663 59.726 58.000 0.105 0.000 1.137 417 F CB -0.233 38.900 39.000 0.222 0.000 0.960 417 F HN 1.589 nan 8.300 nan 0.000 0.533 418 G N 5.121 113.713 108.800 -0.346 0.000 2.195 418 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.224 418 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.224 418 G C 0.841 175.684 174.900 -0.095 0.000 0.990 418 G CA 0.163 45.058 45.100 -0.342 0.000 0.639 418 G HN 0.787 nan 8.290 nan 0.000 0.514 419 F N 2.859 122.737 119.950 -0.121 0.000 2.192 419 F HA 0.113 4.640 4.527 -0.000 0.000 0.301 419 F C 1.621 177.363 175.800 -0.097 0.000 1.079 419 F CA 2.181 60.151 58.000 -0.051 0.000 1.303 419 F CB 0.080 39.123 39.000 0.072 0.000 1.024 419 F HN 0.512 nan 8.300 nan 0.000 0.494 420 S N 0.368 116.044 115.700 -0.039 0.000 2.513 420 S HA 0.728 5.198 4.470 -0.000 0.000 0.299 420 S C -1.020 173.510 174.600 -0.116 0.000 1.087 420 S CA -0.827 57.289 58.200 -0.141 0.000 1.012 420 S CB 2.374 65.531 63.200 -0.071 0.000 1.044 420 S HN 0.162 nan 8.310 nan 0.000 0.485 421 L N 1.151 122.301 121.223 -0.122 0.000 2.465 421 L HA 0.768 5.108 4.340 -0.000 0.000 0.257 421 L C -0.843 175.994 176.870 -0.055 0.000 0.988 421 L CA -0.805 53.981 54.840 -0.089 0.000 0.827 421 L CB 2.645 44.646 42.059 -0.096 0.000 1.397 421 L HN 0.809 nan 8.230 nan 0.000 0.410 422 R N 0.299 120.796 120.500 -0.006 0.000 2.563 422 R HA 0.698 5.038 4.340 -0.000 0.000 0.262 422 R C -1.061 175.404 176.300 0.275 0.000 1.128 422 R CA -0.096 56.053 56.100 0.082 0.000 0.969 422 R CB 1.989 32.278 30.300 -0.018 0.000 1.251 422 R HN 0.766 nan 8.270 nan 0.000 0.442 423 G N 0.710 109.683 108.800 0.289 0.000 3.243 423 G HA2 0.607 4.567 3.960 -0.000 0.000 0.248 423 G HA3 0.607 4.567 3.960 -0.000 0.000 0.248 423 G C -0.296 174.664 174.900 0.100 0.000 1.267 423 G CA -0.214 45.038 45.100 0.253 0.000 0.906 423 G HN 1.361 nan 8.290 nan 0.000 0.592 424 A N -2.642 120.157 122.820 -0.034 0.000 3.201 424 A HA -0.044 4.276 4.320 -0.000 0.000 0.260 424 A C 0.185 177.618 177.584 -0.251 0.000 1.222 424 A CA 1.049 53.027 52.037 -0.099 0.000 1.124 424 A CB -2.096 16.883 19.000 -0.035 0.000 1.155 424 A HN 1.713 nan 8.150 nan 0.000 0.924 425 V N 0.639 120.243 119.914 -0.518 0.000 2.638 425 V HA 0.568 4.688 4.120 -0.000 0.000 0.306 425 V C -0.389 175.360 176.094 -0.575 0.000 1.052 425 V CA -0.204 61.676 62.300 -0.699 0.000 0.885 425 V CB 1.939 32.980 31.823 -1.303 0.000 0.999 425 V HN 0.450 nan 8.190 nan 0.000 0.424 426 D N 3.347 123.533 120.400 -0.357 0.000 2.441 426 D HA 0.229 4.869 4.640 -0.000 0.000 0.221 426 D C 0.685 176.816 176.300 -0.282 0.000 1.156 426 D CA -0.015 53.837 54.000 -0.247 0.000 0.896 426 D CB 1.040 41.747 40.800 -0.154 0.000 1.028 426 D HN 0.556 nan 8.370 nan 0.000 0.509 427 I N 2.420 122.780 120.570 -0.349 0.000 2.617 427 I HA -0.114 4.056 4.170 -0.000 0.000 0.256 427 I C 0.888 176.623 176.117 -0.637 0.000 1.167 427 I CA 0.792 61.832 61.300 -0.435 0.000 1.469 427 I CB 0.397 38.132 38.000 -0.442 0.000 1.098 427 I HN 0.303 nan 8.210 nan 0.000 0.436 428 D N -1.337 118.744 120.400 -0.531 0.000 2.395 428 D HA -0.027 4.613 4.640 -0.000 0.000 0.213 428 D C 0.530 176.780 176.300 -0.082 0.000 1.110 428 D CA 0.029 53.835 54.000 -0.324 0.000 0.835 428 D CB -0.236 40.459 40.800 -0.175 0.000 0.965 428 D HN 0.209 nan 8.370 nan 0.000 0.505 429 D N 1.122 121.463 120.400 -0.098 0.000 2.800 429 D HA -0.214 4.426 4.640 -0.000 0.000 0.232 429 D C 0.289 176.591 176.300 0.004 0.000 1.137 429 D CA 1.053 55.030 54.000 -0.040 0.000 0.718 429 D CB -1.497 39.296 40.800 -0.012 0.000 1.084 429 D HN 0.449 nan 8.370 nan 0.000 0.432 430 N N -0.063 118.652 118.700 0.026 0.000 2.270 430 N HA 0.195 4.935 4.740 -0.000 0.000 0.198 430 N C 1.620 177.224 175.510 0.156 0.000 1.117 430 N CA 1.103 54.208 53.050 0.092 0.000 0.845 430 N CB 0.192 38.741 38.487 0.104 0.000 0.980 430 N HN 0.535 nan 8.380 nan 0.000 0.486 431 G N -0.873 107.959 108.800 0.052 0.000 2.176 431 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 431 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 431 G C -0.679 174.095 174.900 -0.210 0.000 0.979 431 G CA 0.353 45.410 45.100 -0.072 0.000 0.641 431 G HN 0.408 nan 8.290 nan 0.000 0.530 432 Y N 1.339 121.606 120.300 -0.055 0.000 2.409 432 Y HA 0.572 5.122 4.550 -0.000 0.000 0.343 432 Y C -2.049 173.804 175.900 -0.078 0.000 0.973 432 Y CA -2.492 55.578 58.100 -0.051 0.000 1.064 432 Y CB 2.313 40.756 38.460 -0.029 0.000 1.207 432 Y HN -0.042 nan 8.280 nan 0.000 0.452 433 P HA 0.114 nan 4.420 nan 0.000 0.275 433 P C -0.907 176.395 177.300 0.003 0.000 1.227 433 P CA -0.013 63.063 63.100 -0.040 0.000 0.781 433 P CB 1.588 33.255 31.700 -0.055 0.000 0.906 434 D N 1.288 121.662 120.400 -0.044 0.000 2.525 434 D HA 0.540 5.180 4.640 -0.000 0.000 0.249 434 D C -0.610 175.790 176.300 0.167 0.000 1.072 434 D CA -0.251 53.781 54.000 0.053 0.000 1.067 434 D CB 1.452 42.259 40.800 0.012 0.000 1.282 434 D HN 0.179 nan 8.370 nan 0.000 0.587 435 L N 0.913 122.285 121.223 0.248 0.000 2.410 435 L HA 0.496 4.836 4.340 -0.000 0.000 0.270 435 L C -1.135 175.923 176.870 0.313 0.000 0.983 435 L CA -0.660 54.346 54.840 0.277 0.000 0.822 435 L CB 1.497 43.654 42.059 0.163 0.000 1.285 435 L HN 0.388 nan 8.230 nan 0.000 0.409 436 I N 3.039 123.738 120.570 0.214 0.000 2.441 436 I HA 0.817 4.987 4.170 -0.000 0.000 0.295 436 I C -1.291 174.875 176.117 0.081 0.000 0.994 436 I CA -0.902 60.465 61.300 0.112 0.000 1.144 436 I CB 1.993 39.909 38.000 -0.140 0.000 1.314 436 I HN 0.312 nan 8.210 nan 0.000 0.445 437 V N 4.687 124.694 119.914 0.155 0.000 2.531 437 V HA 0.671 4.791 4.120 -0.000 0.000 0.301 437 V C 0.638 176.816 176.094 0.140 0.000 1.034 437 V CA -0.423 61.915 62.300 0.064 0.000 0.865 437 V CB 1.518 33.334 31.823 -0.012 0.000 0.995 437 V HN 0.995 nan 8.190 nan 0.000 0.424 438 G N 2.583 111.423 108.800 0.067 0.000 2.425 438 G HA2 0.634 4.594 3.960 -0.000 0.000 0.302 438 G HA3 0.634 4.594 3.960 -0.000 0.000 0.302 438 G C -0.234 174.762 174.900 0.160 0.000 1.159 438 G CA -0.128 45.053 45.100 0.135 0.000 0.865 438 G HN 1.230 nan 8.290 nan 0.000 0.515 439 A N 1.735 124.635 122.820 0.134 0.000 3.082 439 A HA 0.464 4.784 4.320 -0.000 0.000 0.328 439 A C 0.386 177.933 177.584 -0.061 0.000 1.089 439 A CA -0.622 51.414 52.037 -0.001 0.000 0.802 439 A CB -0.034 18.829 19.000 -0.228 0.000 1.138 439 A HN 1.056 nan 8.150 nan 0.000 0.474 440 Y N -0.020 120.308 120.300 0.046 0.000 2.274 440 Y HA 0.021 4.571 4.550 -0.000 0.000 0.290 440 Y C 1.651 177.580 175.900 0.048 0.000 1.145 440 Y CA 1.656 59.812 58.100 0.093 0.000 1.203 440 Y CB -0.623 37.951 38.460 0.190 0.000 0.984 440 Y HN 0.368 nan 8.280 nan 0.000 0.533 441 G N 0.207 108.712 108.800 -0.492 0.000 2.471 441 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 441 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 441 G C 1.494 176.314 174.900 -0.133 0.000 1.125 441 G CA 0.577 45.509 45.100 -0.281 0.000 0.775 441 G HN 0.672 nan 8.290 nan 0.000 0.548 442 A N 0.215 122.923 122.820 -0.186 0.000 2.348 442 A HA 0.279 4.599 4.320 -0.000 0.000 0.224 442 A C 1.049 178.543 177.584 -0.151 0.000 1.227 442 A CA 0.193 52.109 52.037 -0.200 0.000 0.885 442 A CB -0.113 18.647 19.000 -0.400 0.000 0.933 442 A HN 0.260 nan 8.150 nan 0.000 0.506 443 N N 0.185 118.864 118.700 -0.034 0.000 2.725 443 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 443 N C -0.503 175.039 175.510 0.054 0.000 1.031 443 N CA 1.283 54.381 53.050 0.081 0.000 0.720 443 N CB -1.217 37.276 38.487 0.011 0.000 0.930 443 N HN 0.797 nan 8.380 nan 0.000 0.543 444 Q N -0.777 119.080 119.800 0.095 0.000 2.462 444 Q HA 0.670 5.010 4.340 -0.000 0.000 0.285 444 Q C -1.021 175.169 176.000 0.316 0.000 1.035 444 Q CA -0.774 55.114 55.803 0.141 0.000 0.799 444 Q CB 2.880 31.533 28.738 -0.142 0.000 1.452 444 Q HN 0.035 nan 8.270 nan 0.000 0.404 445 V N 0.757 120.993 119.914 0.537 0.000 2.656 445 V HA 0.779 4.899 4.120 -0.000 0.000 0.307 445 V C -0.966 175.479 176.094 0.586 0.000 1.051 445 V CA -0.632 61.963 62.300 0.492 0.000 0.893 445 V CB 1.739 33.795 31.823 0.387 0.000 0.999 445 V HN 0.840 nan 8.190 nan 0.000 0.426 446 A N 4.295 127.433 122.820 0.531 0.000 2.317 446 A HA 0.865 5.185 4.320 -0.000 0.000 0.327 446 A C -0.817 176.848 177.584 0.136 0.000 1.178 446 A CA -0.527 51.663 52.037 0.255 0.000 0.817 446 A CB 1.446 20.651 19.000 0.341 0.000 1.189 446 A HN 0.694 nan 8.150 nan 0.000 0.489 447 V N 2.767 122.649 119.914 -0.052 0.000 2.384 447 V HA 0.339 4.459 4.120 -0.000 0.000 0.287 447 V C -1.253 174.754 176.094 -0.145 0.000 1.020 447 V CA -0.344 62.002 62.300 0.076 0.000 0.850 447 V CB 0.703 32.706 31.823 0.300 0.000 0.987 447 V HN 0.750 nan 8.190 nan 0.000 0.436 448 Y N 3.722 124.077 120.300 0.092 0.000 2.331 448 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 448 Y C 0.641 176.576 175.900 0.057 0.000 0.976 448 Y CA -0.575 57.563 58.100 0.063 0.000 1.137 448 Y CB 1.342 39.842 38.460 0.067 0.000 1.172 448 Y HN 0.468 nan 8.280 nan 0.000 0.478 449 R N 1.915 122.506 120.500 0.151 0.000 2.368 449 R HA 0.719 5.059 4.340 -0.000 0.000 0.302 449 R C -0.535 175.804 176.300 0.065 0.000 1.002 449 R CA -0.777 55.372 56.100 0.082 0.000 0.929 449 R CB 1.149 31.488 30.300 0.067 0.000 1.073 449 R HN 0.779 nan 8.270 nan 0.000 0.464 450 A N 3.403 126.246 122.820 0.037 0.000 2.328 450 A HA 0.237 4.557 4.320 -0.000 0.000 0.284 450 A C -0.431 177.068 177.584 -0.143 0.000 1.160 450 A CA -0.559 51.475 52.037 -0.006 0.000 0.818 450 A CB 0.677 19.719 19.000 0.071 0.000 1.087 450 A HN 0.510 nan 8.150 nan 0.000 0.504 451 Q N 1.375 121.036 119.800 -0.232 0.000 2.241 451 Q HA 0.498 4.838 4.340 -0.000 0.000 0.262 451 Q C -2.592 173.001 176.000 -0.678 0.000 1.014 451 Q CA -2.167 53.432 55.803 -0.338 0.000 0.885 451 Q CB 0.665 29.303 28.738 -0.166 0.000 1.311 451 Q HN 0.445 nan 8.270 nan 0.000 0.461 452 P HA 0.120 nan 4.420 nan 0.000 0.272 452 P C -0.352 176.790 177.300 -0.264 0.000 1.223 452 P CA -0.196 62.485 63.100 -0.698 0.000 0.784 452 P CB 0.618 32.176 31.700 -0.237 0.000 0.923 453 V N 0.000 119.862 119.914 -0.086 0.000 2.409 453 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 453 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 453 V CB 0.000 31.856 31.823 0.056 0.000 1.184 453 V HN 0.000 nan 8.190 nan 0.000 0.556