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 1v19_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE LK 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.309 176.300 0.014 0.000 1.140 1 M CA 0.000 55.315 55.300 0.026 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 L N 3.182 124.396 121.223 -0.016 0.000 2.397 2 L HA 0.233 4.574 4.340 0.002 0.000 0.271 2 L C 0.712 177.565 176.870 -0.028 0.000 1.148 2 L CA 0.156 54.972 54.840 -0.040 0.000 0.825 2 L CB 0.870 42.850 42.059 -0.132 0.000 1.117 2 L HN 0.817 nan 8.230 nan 0.000 0.456 3 E N 1.439 121.637 120.200 -0.003 0.000 2.290 3 E HA 0.125 4.476 4.350 0.002 0.000 0.197 3 E C -0.506 176.125 176.600 0.052 0.000 0.948 3 E CA 0.292 56.709 56.400 0.029 0.000 0.895 3 E CB 0.846 30.571 29.700 0.041 0.000 0.865 3 E HN 0.362 nan 8.360 nan 0.000 0.486 4 V N 1.099 121.022 119.914 0.015 0.000 2.925 4 V HA 0.390 4.511 4.120 0.002 0.000 0.311 4 V C -0.774 175.316 176.094 -0.007 0.000 1.104 4 V CA -0.967 61.358 62.300 0.041 0.000 0.954 4 V CB 2.536 34.364 31.823 0.008 0.000 1.022 4 V HN -0.179 nan 8.190 nan 0.000 0.427 5 V N 2.189 122.111 119.914 0.014 0.000 2.569 5 V HA 0.608 4.729 4.120 0.002 0.000 0.301 5 V C -0.100 176.027 176.094 0.055 0.000 1.044 5 V CA -0.275 62.011 62.300 -0.023 0.000 0.874 5 V CB 2.341 34.069 31.823 -0.159 0.000 1.002 5 V HN 1.063 nan 8.190 nan 0.000 0.424 6 T N 2.294 116.902 114.554 0.089 0.000 2.949 6 T HA 0.960 5.312 4.350 0.002 0.000 0.287 6 T C -0.281 174.402 174.700 -0.028 0.000 1.034 6 T CA -0.636 61.553 62.100 0.149 0.000 1.018 6 T CB 2.203 71.251 68.868 0.299 0.000 1.135 6 T HN 1.178 nan 8.240 nan 0.000 0.532 7 A N -0.333 122.475 122.820 -0.019 0.000 2.577 7 A HA 0.913 5.235 4.320 0.002 0.000 0.297 7 A C -0.220 177.343 177.584 -0.037 0.000 1.060 7 A CA -0.099 51.785 52.037 -0.255 0.000 0.697 7 A CB 1.317 20.319 19.000 0.003 0.000 1.281 7 A HN 1.597 nan 8.150 nan 0.000 0.402 8 G N -0.020 108.711 108.800 -0.114 0.000 2.323 8 G HA2 0.468 4.429 3.960 0.002 0.000 0.291 8 G HA3 0.468 4.429 3.960 0.002 0.000 0.291 8 G C -1.381 173.626 174.900 0.179 0.000 1.278 8 G CA -0.069 45.075 45.100 0.073 0.000 0.860 8 G HN 1.024 nan 8.290 nan 0.000 0.504 9 E N 0.859 121.143 120.200 0.140 0.000 2.115 9 E HA 0.569 4.920 4.350 0.002 0.000 0.282 9 E C -2.327 174.384 176.600 0.185 0.000 0.987 9 E CA -1.681 54.804 56.400 0.142 0.000 0.797 9 E CB 1.375 31.092 29.700 0.028 0.000 1.086 9 E HN 0.131 nan 8.360 nan 0.000 0.397 10 P HA 0.191 nan 4.420 nan 0.000 0.274 10 P C -0.957 176.427 177.300 0.141 0.000 1.231 10 P CA -0.158 63.013 63.100 0.118 0.000 0.790 10 P CB 0.713 32.468 31.700 0.091 0.000 0.951 11 L N 0.955 122.274 121.223 0.160 0.000 2.393 11 L HA 0.508 4.849 4.340 0.002 0.000 0.260 11 L C -0.776 176.231 176.870 0.228 0.000 1.002 11 L CA -1.249 53.739 54.840 0.246 0.000 0.818 11 L CB 2.447 44.725 42.059 0.366 0.000 1.369 11 L HN 0.010 nan 8.230 nan 0.000 0.412 12 V N 1.681 121.719 119.914 0.206 0.000 2.398 12 V HA 0.607 4.728 4.120 0.002 0.000 0.286 12 V C 0.221 176.307 176.094 -0.012 0.000 1.026 12 V CA -0.438 61.923 62.300 0.100 0.000 0.868 12 V CB 1.612 33.478 31.823 0.072 0.000 0.982 12 V HN 0.826 nan 8.190 nan 0.000 0.443 13 A N 6.597 129.342 122.820 -0.124 0.000 2.306 13 A HA 0.853 5.175 4.320 0.002 0.000 0.314 13 A C -0.755 176.681 177.584 -0.247 0.000 1.164 13 A CA -0.487 51.269 52.037 -0.468 0.000 0.822 13 A CB 0.558 19.324 19.000 -0.390 0.000 1.130 13 A HN 0.794 nan 8.150 nan 0.000 0.496 14 L N 2.981 124.028 121.223 -0.293 0.000 2.325 14 L HA 0.606 4.947 4.340 0.002 0.000 0.281 14 L C -1.057 175.768 176.870 -0.075 0.000 1.004 14 L CA -0.744 54.011 54.840 -0.141 0.000 0.823 14 L CB 1.691 43.679 42.059 -0.118 0.000 1.236 14 L HN 0.448 nan 8.230 nan 0.000 0.415 15 V N 3.144 123.070 119.914 0.019 0.000 2.709 15 V HA 0.494 4.615 4.120 0.002 0.000 0.308 15 V C -2.262 173.904 176.094 0.119 0.000 1.062 15 V CA -1.750 60.624 62.300 0.123 0.000 0.901 15 V CB 2.136 34.105 31.823 0.243 0.000 1.003 15 V HN 0.541 nan 8.190 nan 0.000 0.425 16 P HA 0.205 nan 4.420 nan 0.000 0.272 16 P C -0.106 177.248 177.300 0.090 0.000 1.240 16 P CA -0.149 62.964 63.100 0.022 0.000 0.791 16 P CB 0.999 32.645 31.700 -0.091 0.000 0.978 17 Q N -0.415 119.414 119.800 0.048 0.000 2.435 17 Q HA -0.024 4.317 4.340 0.002 0.000 0.207 17 Q C 0.814 176.876 176.000 0.104 0.000 0.956 17 Q CA 0.832 56.689 55.803 0.090 0.000 0.917 17 Q CB 0.140 28.905 28.738 0.046 0.000 0.997 17 Q HN 0.568 nan 8.270 nan 0.000 0.497 18 E N -0.675 119.528 120.200 0.004 0.000 2.437 18 E HA 0.364 4.715 4.350 0.002 0.000 0.280 18 E C -3.062 173.328 176.600 -0.350 0.000 1.044 18 E CA -2.511 53.873 56.400 -0.027 0.000 0.826 18 E CB 0.734 30.429 29.700 -0.009 0.000 1.358 18 E HN -0.298 nan 8.360 nan 0.000 0.459 19 P HA 0.398 nan 4.420 nan 0.000 0.270 19 P C -0.155 176.957 177.300 -0.314 0.000 1.227 19 P CA 1.400 64.231 63.100 -0.448 0.000 0.788 19 P CB 0.260 31.903 31.700 -0.094 0.000 0.926 20 G N -0.930 107.692 108.800 -0.296 0.000 2.362 20 G HA2 -0.035 3.926 3.960 0.002 0.000 0.656 20 G HA3 -0.035 3.926 3.960 0.002 0.000 0.656 20 G C -1.528 173.251 174.900 -0.202 0.000 1.376 20 G CA -0.932 44.057 45.100 -0.184 0.000 0.971 20 G HN 0.581 nan 8.290 nan 0.000 0.636 21 H N -0.373 118.662 119.070 -0.057 0.000 2.848 21 H HA 0.282 4.839 4.556 0.002 0.000 0.341 21 H C 1.671 176.977 175.328 -0.036 0.000 1.060 21 H CA 0.282 56.316 56.048 -0.024 0.000 1.444 21 H CB 1.331 31.089 29.762 -0.006 0.000 1.446 21 H HN 0.479 nan 8.280 nan 0.000 0.583 22 L N 3.695 124.984 121.223 0.110 0.000 2.191 22 L HA -0.157 4.184 4.340 0.002 0.000 0.212 22 L C 2.460 179.339 176.870 0.015 0.000 1.103 22 L CA 1.484 56.350 54.840 0.043 0.000 0.769 22 L CB -0.414 41.681 42.059 0.060 0.000 0.908 22 L HN 0.692 nan 8.230 nan 0.000 0.438 23 R N -1.202 119.321 120.500 0.039 0.000 2.193 23 R HA -0.066 4.275 4.340 0.002 0.000 0.229 23 R C 1.698 177.991 176.300 -0.012 0.000 1.110 23 R CA 1.390 57.483 56.100 -0.012 0.000 0.988 23 R CB -0.928 29.355 30.300 -0.029 0.000 0.871 23 R HN 0.379 nan 8.270 nan 0.000 0.458 24 G N 0.916 109.722 108.800 0.010 0.000 3.088 24 G HA2 0.068 4.029 3.960 0.002 0.000 0.217 24 G HA3 0.068 4.029 3.960 0.002 0.000 0.217 24 G C -0.163 174.728 174.900 -0.016 0.000 1.159 24 G CA -0.445 44.653 45.100 -0.003 0.000 0.760 24 G HN 0.018 nan 8.290 nan 0.000 0.550 25 K N 0.699 121.086 120.400 -0.022 0.000 2.218 25 K HA 0.386 4.707 4.320 0.002 0.000 0.276 25 K C 0.484 177.063 176.600 -0.034 0.000 1.022 25 K CA -0.498 55.769 56.287 -0.032 0.000 0.946 25 K CB 1.404 33.880 32.500 -0.039 0.000 1.000 25 K HN -0.033 nan 8.250 nan 0.000 0.468 26 R N 1.209 121.689 120.500 -0.033 0.000 2.437 26 R HA 0.320 4.662 4.340 0.002 0.000 0.257 26 R C 0.114 176.392 176.300 -0.037 0.000 0.927 26 R CA -0.055 56.025 56.100 -0.034 0.000 1.078 26 R CB 0.239 30.522 30.300 -0.029 0.000 1.161 26 R HN 0.418 nan 8.270 nan 0.000 0.529 27 L N 1.212 122.413 121.223 -0.037 0.000 2.431 27 L HA 0.536 4.877 4.340 0.002 0.000 0.266 27 L C -1.093 175.753 176.870 -0.040 0.000 0.978 27 L CA -0.612 54.205 54.840 -0.039 0.000 0.822 27 L CB 2.663 44.703 42.059 -0.033 0.000 1.310 27 L HN -0.206 nan 8.230 nan 0.000 0.409 28 L N 2.379 123.570 121.223 -0.052 0.000 2.408 28 L HA 0.504 4.845 4.340 0.002 0.000 0.268 28 L C -0.532 176.285 176.870 -0.088 0.000 0.986 28 L CA -0.656 54.151 54.840 -0.055 0.000 0.820 28 L CB 2.567 44.588 42.059 -0.064 0.000 1.303 28 L HN 0.561 nan 8.230 nan 0.000 0.411 29 E N 1.474 121.617 120.200 -0.094 0.000 2.313 29 E HA 0.426 4.777 4.350 0.002 0.000 0.272 29 E C -1.102 175.294 176.600 -0.341 0.000 1.038 29 E CA -0.624 55.636 56.400 -0.232 0.000 0.863 29 E CB 2.314 31.888 29.700 -0.210 0.000 1.060 29 E HN 0.207 nan 8.360 nan 0.000 0.402 30 V N 3.532 123.157 119.914 -0.482 0.000 2.398 30 V HA 0.345 4.466 4.120 0.002 0.000 0.286 30 V C -1.010 174.733 176.094 -0.584 0.000 1.026 30 V CA -0.662 61.406 62.300 -0.386 0.000 0.868 30 V CB 0.106 31.794 31.823 -0.225 0.000 0.982 30 V HN 0.546 nan 8.190 nan 0.000 0.443 31 Y N 2.014 122.254 120.300 -0.099 0.000 2.553 31 Y HA 0.606 5.157 4.550 0.002 0.000 0.347 31 Y C -0.090 175.758 175.900 -0.087 0.000 1.019 31 Y CA -1.076 56.954 58.100 -0.116 0.000 1.032 31 Y CB 2.182 40.547 38.460 -0.158 0.000 1.284 31 Y HN 0.347 nan 8.280 nan 0.000 0.466 32 V N 2.651 122.629 119.914 0.107 0.000 2.432 32 V HA 0.732 4.854 4.120 0.002 0.000 0.275 32 V C 0.361 176.540 176.094 0.142 0.000 1.043 32 V CA 0.081 62.450 62.300 0.116 0.000 0.925 32 V CB 0.656 32.564 31.823 0.141 0.000 0.985 32 V HN 0.954 nan 8.190 nan 0.000 0.466 33 G N 2.519 111.418 108.800 0.165 0.000 3.251 33 G HA2 0.819 4.780 3.960 0.002 0.000 0.248 33 G HA3 0.819 4.780 3.960 0.002 0.000 0.248 33 G C -0.158 174.835 174.900 0.155 0.000 1.320 33 G CA -0.599 44.622 45.100 0.202 0.000 0.982 33 G HN 1.477 nan 8.290 nan 0.000 0.575 34 G N -2.099 106.789 108.800 0.147 0.000 3.400 34 G HA2 0.444 4.405 3.960 0.002 0.000 0.679 34 G HA3 0.444 4.405 3.960 0.002 0.000 0.679 34 G C 0.741 175.679 174.900 0.063 0.000 1.239 34 G CA 0.549 45.702 45.100 0.089 0.000 1.049 34 G HN 1.813 nan 8.290 nan 0.000 0.539 35 A N 2.002 124.860 122.820 0.063 0.000 1.894 35 A HA -0.169 4.153 4.320 0.002 0.000 0.220 35 A C 2.176 179.815 177.584 0.092 0.000 1.237 35 A CA 2.807 54.885 52.037 0.068 0.000 0.660 35 A CB -0.457 18.584 19.000 0.068 0.000 0.835 35 A HN 1.045 nan 8.150 nan 0.000 0.461 36 E N -0.683 119.609 120.200 0.153 0.000 2.150 36 E HA -0.027 4.325 4.350 0.002 0.000 0.193 36 E C 1.895 178.566 176.600 0.119 0.000 0.985 36 E CA 0.921 57.468 56.400 0.246 0.000 0.814 36 E CB -0.453 29.487 29.700 0.400 0.000 0.752 36 E HN 0.353 nan 8.360 nan 0.000 0.466 37 V N 1.853 121.718 119.914 -0.082 0.000 2.295 37 V HA -0.284 3.837 4.120 0.002 0.000 0.246 37 V C 1.725 177.642 176.094 -0.295 0.000 1.049 37 V CA 1.831 63.882 62.300 -0.415 0.000 1.024 37 V CB -0.513 31.055 31.823 -0.425 0.000 0.648 37 V HN 0.318 nan 8.190 nan 0.000 0.447 38 N N 0.178 118.793 118.700 -0.141 0.000 2.104 38 N HA -0.144 4.598 4.740 0.002 0.000 0.190 38 N C 1.784 177.183 175.510 -0.185 0.000 1.024 38 N CA 1.507 54.478 53.050 -0.132 0.000 0.853 38 N CB -0.600 37.898 38.487 0.018 0.000 1.008 38 N HN 0.362 nan 8.380 nan 0.000 0.424 39 V N 1.753 121.585 119.914 -0.136 0.000 2.295 39 V HA -0.200 3.921 4.120 0.002 0.000 0.246 39 V C 2.489 178.471 176.094 -0.188 0.000 1.049 39 V CA 1.789 63.975 62.300 -0.190 0.000 1.024 39 V CB -1.000 30.694 31.823 -0.216 0.000 0.648 39 V HN 0.302 nan 8.190 nan 0.000 0.447 40 A N -0.179 122.562 122.820 -0.132 0.000 1.883 40 A HA -0.196 4.125 4.320 0.002 0.000 0.217 40 A C 2.380 179.850 177.584 -0.191 0.000 1.186 40 A CA 2.341 54.309 52.037 -0.115 0.000 0.624 40 A CB -0.798 18.169 19.000 -0.056 0.000 0.822 40 A HN 0.346 nan 8.150 nan 0.000 0.444 41 V N -0.278 119.454 119.914 -0.304 0.000 2.427 41 V HA -0.215 3.907 4.120 0.002 0.000 0.248 41 V C 3.020 178.949 176.094 -0.274 0.000 1.051 41 V CA 1.856 63.949 62.300 -0.345 0.000 1.048 41 V CB -1.220 30.209 31.823 -0.656 0.000 0.666 41 V HN 0.634 nan 8.190 nan 0.000 0.456 42 A N -0.136 122.526 122.820 -0.264 0.000 1.898 42 A HA -0.127 4.194 4.320 0.002 0.000 0.216 42 A C 2.212 179.671 177.584 -0.208 0.000 1.181 42 A CA 1.665 53.565 52.037 -0.228 0.000 0.620 42 A CB -0.493 18.381 19.000 -0.210 0.000 0.819 42 A HN 0.493 nan 8.150 nan 0.000 0.442 43 L N -0.783 120.317 121.223 -0.206 0.000 2.046 43 L HA -0.185 4.157 4.340 0.002 0.000 0.208 43 L C 3.106 179.905 176.870 -0.119 0.000 1.077 43 L CA 1.032 55.756 54.840 -0.193 0.000 0.747 43 L CB -0.605 41.336 42.059 -0.198 0.000 0.896 43 L HN 0.437 nan 8.230 nan 0.000 0.432 44 A N 0.224 122.981 122.820 -0.104 0.000 1.940 44 A HA -0.215 4.107 4.320 0.002 0.000 0.219 44 A C 2.381 179.954 177.584 -0.018 0.000 1.176 44 A CA 1.556 53.563 52.037 -0.050 0.000 0.631 44 A CB -0.478 18.485 19.000 -0.061 0.000 0.814 44 A HN 0.346 nan 8.150 nan 0.000 0.446 45 R N -0.678 119.773 120.500 -0.081 0.000 2.115 45 R HA 0.081 4.422 4.340 0.002 0.000 0.230 45 R C 1.423 177.736 176.300 0.022 0.000 1.111 45 R CA 0.996 57.048 56.100 -0.080 0.000 0.976 45 R CB -0.336 29.709 30.300 -0.425 0.000 0.870 45 R HN 0.480 nan 8.270 nan 0.000 0.445 46 L N -0.234 120.994 121.223 0.009 0.000 2.599 46 L HA 0.153 4.494 4.340 0.002 0.000 0.230 46 L C 1.027 178.048 176.870 0.252 0.000 1.141 46 L CA 0.424 55.344 54.840 0.134 0.000 0.877 46 L CB 0.113 42.212 42.059 0.066 0.000 1.009 46 L HN 0.469 nan 8.230 nan 0.000 0.447 47 G N -0.002 108.894 108.800 0.160 0.000 2.157 47 G HA2 -0.243 3.718 3.960 0.002 0.000 0.248 47 G HA3 -0.243 3.718 3.960 0.002 0.000 0.248 47 G C 0.212 175.219 174.900 0.177 0.000 0.979 47 G CA -0.029 45.178 45.100 0.178 0.000 0.650 47 G HN 0.107 nan 8.290 nan 0.000 0.529 48 V N 1.217 121.190 119.914 0.098 0.000 2.488 48 V HA 0.293 4.415 4.120 0.002 0.000 0.277 48 V C 0.942 177.047 176.094 0.018 0.000 1.046 48 V CA -0.224 62.093 62.300 0.029 0.000 0.986 48 V CB 1.331 33.067 31.823 -0.146 0.000 0.989 48 V HN 0.334 nan 8.190 nan 0.000 0.475 49 K N 3.925 124.347 120.400 0.037 0.000 2.363 49 K HA 0.377 4.698 4.320 0.002 0.000 0.289 49 K C -0.537 176.067 176.600 0.007 0.000 1.063 49 K CA 0.125 56.430 56.287 0.030 0.000 0.967 49 K CB 1.043 33.566 32.500 0.038 0.000 0.987 49 K HN 0.459 nan 8.250 nan 0.000 0.473 50 V N 2.065 121.985 119.914 0.010 0.000 2.789 50 V HA 0.768 4.889 4.120 0.002 0.000 0.311 50 V C -0.578 175.549 176.094 0.054 0.000 1.073 50 V CA -0.458 61.847 62.300 0.009 0.000 0.921 50 V CB 1.998 33.812 31.823 -0.014 0.000 1.009 50 V HN 0.809 nan 8.190 nan 0.000 0.426 51 G N 4.188 113.031 108.800 0.071 0.000 2.513 51 G HA2 0.648 4.609 3.960 0.002 0.000 0.317 51 G HA3 0.648 4.609 3.960 0.002 0.000 0.317 51 G C -1.769 173.264 174.900 0.222 0.000 1.277 51 G CA -0.547 44.668 45.100 0.191 0.000 0.955 51 G HN 0.758 nan 8.290 nan 0.000 0.484 52 F N 3.107 123.115 119.950 0.097 0.000 2.444 52 F HA 0.633 5.161 4.527 0.002 0.000 0.342 52 F C -0.539 175.337 175.800 0.126 0.000 1.121 52 F CA -0.898 57.130 58.000 0.046 0.000 0.997 52 F CB 2.114 41.057 39.000 -0.096 0.000 1.130 52 F HN 0.303 nan 8.300 nan 0.000 0.454 53 V N 5.987 125.465 119.914 -0.726 0.000 2.370 53 V HA 0.910 5.031 4.120 0.002 0.000 0.283 53 V C 0.164 175.849 176.094 -0.682 0.000 1.023 53 V CA 0.020 62.044 62.300 -0.460 0.000 0.857 53 V CB 0.604 32.188 31.823 -0.398 0.000 0.985 53 V HN 1.098 nan 8.190 nan 0.000 0.443 54 G N 4.867 113.589 108.800 -0.131 0.000 2.322 54 G HA2 0.584 4.545 3.960 0.002 0.000 0.295 54 G HA3 0.584 4.545 3.960 0.002 0.000 0.295 54 G C -1.979 173.029 174.900 0.179 0.000 1.369 54 G CA -0.910 44.217 45.100 0.044 0.000 0.821 54 G HN 0.396 nan 8.290 nan 0.000 0.536 55 R N -0.843 119.715 120.500 0.096 0.000 2.795 55 R HA 0.819 5.160 4.340 0.002 0.000 0.275 55 R C -0.164 176.147 176.300 0.019 0.000 0.981 55 R CA -0.652 55.383 56.100 -0.108 0.000 0.917 55 R CB 1.457 31.675 30.300 -0.135 0.000 1.202 55 R HN 1.249 nan 8.270 nan 0.000 0.469 56 V N -1.928 117.939 119.914 -0.078 0.000 3.155 56 V HA 0.902 5.023 4.120 0.002 0.000 0.313 56 V C 0.452 176.513 176.094 -0.055 0.000 1.162 56 V CA -0.988 61.327 62.300 0.024 0.000 1.048 56 V CB 1.765 33.686 31.823 0.163 0.000 1.092 56 V HN 0.737 nan 8.190 nan 0.000 0.447 57 G N -0.693 108.091 108.800 -0.026 0.000 2.547 57 G HA2 0.512 4.473 3.960 0.002 0.000 0.291 57 G HA3 0.512 4.473 3.960 0.002 0.000 0.291 57 G C -0.324 174.579 174.900 0.005 0.000 1.211 57 G CA -0.548 44.538 45.100 -0.023 0.000 0.950 57 G HN 0.867 nan 8.290 nan 0.000 0.504 58 E N 0.373 120.581 120.200 0.013 0.000 2.325 58 E HA 0.186 4.538 4.350 0.002 0.000 0.295 58 E C -0.603 176.019 176.600 0.037 0.000 1.461 58 E CA -0.297 56.112 56.400 0.015 0.000 1.698 58 E CB 0.166 29.868 29.700 0.005 0.000 1.496 58 E HN 0.557 nan 8.360 nan 0.000 0.474 59 D N -1.851 118.581 120.400 0.053 0.000 2.727 59 D HA 0.139 4.780 4.640 0.002 0.000 0.264 59 D C 0.860 177.192 176.300 0.053 0.000 1.101 59 D CA -0.655 53.381 54.000 0.060 0.000 1.122 59 D CB 0.418 41.272 40.800 0.090 0.000 1.390 59 D HN -0.247 nan 8.370 nan 0.000 0.606 60 E N -0.456 119.772 120.200 0.047 0.000 2.107 60 E HA 0.003 4.355 4.350 0.002 0.000 0.191 60 E C 2.017 178.645 176.600 0.047 0.000 0.982 60 E CA 0.564 56.987 56.400 0.038 0.000 0.809 60 E CB -0.145 29.568 29.700 0.023 0.000 0.756 60 E HN 0.440 nan 8.360 nan 0.000 0.459 61 L N -0.029 121.230 121.223 0.060 0.000 2.156 61 L HA -0.045 4.296 4.340 0.002 0.000 0.208 61 L C 2.415 179.339 176.870 0.089 0.000 1.095 61 L CA 1.125 56.006 54.840 0.069 0.000 0.770 61 L CB -0.620 41.491 42.059 0.086 0.000 0.914 61 L HN 0.165 nan 8.230 nan 0.000 0.439 62 G N -0.341 108.516 108.800 0.096 0.000 2.403 62 G HA2 -0.178 3.783 3.960 0.002 0.000 0.216 62 G HA3 -0.178 3.783 3.960 0.002 0.000 0.216 62 G C 1.771 176.747 174.900 0.126 0.000 1.154 62 G CA 0.696 45.865 45.100 0.115 0.000 0.784 62 G HN 0.434 nan 8.290 nan 0.000 0.538 63 A N 0.450 123.323 122.820 0.089 0.000 1.969 63 A HA 0.081 4.402 4.320 0.002 0.000 0.218 63 A C 2.271 179.905 177.584 0.084 0.000 1.169 63 A CA 1.728 53.815 52.037 0.084 0.000 0.635 63 A CB -0.333 18.700 19.000 0.055 0.000 0.810 63 A HN 0.417 nan 8.150 nan 0.000 0.445 64 M N -0.362 119.280 119.600 0.071 0.000 2.132 64 M HA -0.093 4.388 4.480 0.002 0.000 0.263 64 M C 1.817 178.154 176.300 0.062 0.000 1.065 64 M CA 1.694 57.027 55.300 0.055 0.000 1.122 64 M CB -0.152 32.471 32.600 0.038 0.000 1.365 64 M HN 0.205 nan 8.290 nan 0.000 0.411 65 V N 0.708 120.673 119.914 0.085 0.000 2.343 65 V HA -0.267 3.854 4.120 0.002 0.000 0.247 65 V C 2.211 178.325 176.094 0.033 0.000 1.051 65 V CA 2.287 64.624 62.300 0.061 0.000 1.036 65 V CB -0.902 30.989 31.823 0.114 0.000 0.654 65 V HN 0.594 nan 8.190 nan 0.000 0.451 66 E N 0.135 120.434 120.200 0.164 0.000 2.072 66 E HA -0.229 4.122 4.350 0.002 0.000 0.191 66 E C 2.206 178.862 176.600 0.094 0.000 0.985 66 E CA 1.375 57.907 56.400 0.220 0.000 0.801 66 E CB -0.056 29.852 29.700 0.347 0.000 0.750 66 E HN 0.686 nan 8.360 nan 0.000 0.452 67 E N 0.034 120.280 120.200 0.075 0.000 2.110 67 E HA -0.224 4.127 4.350 0.002 0.000 0.193 67 E C 2.191 178.807 176.600 0.027 0.000 0.988 67 E CA 0.823 57.253 56.400 0.050 0.000 0.804 67 E CB -0.062 29.665 29.700 0.045 0.000 0.745 67 E HN 0.044 nan 8.360 nan 0.000 0.458 68 R N 1.453 121.962 120.500 0.015 0.000 2.070 68 R HA -0.125 4.216 4.340 0.002 0.000 0.233 68 R C 2.207 178.482 176.300 -0.042 0.000 1.137 68 R CA 1.319 57.424 56.100 0.007 0.000 0.945 68 R CB -0.624 29.690 30.300 0.023 0.000 0.845 68 R HN 0.120 nan 8.270 nan 0.000 0.430 69 L N -0.021 121.131 121.223 -0.118 0.000 2.042 69 L HA -0.143 4.199 4.340 0.002 0.000 0.210 69 L C 2.826 179.648 176.870 -0.080 0.000 1.076 69 L CA 1.894 56.625 54.840 -0.182 0.000 0.749 69 L CB -0.475 41.369 42.059 -0.359 0.000 0.893 69 L HN 0.278 nan 8.230 nan 0.000 0.432 70 R N 0.270 120.754 120.500 -0.027 0.000 2.075 70 R HA -0.119 4.222 4.340 0.002 0.000 0.232 70 R C 2.360 178.671 176.300 0.019 0.000 1.126 70 R CA 1.279 57.388 56.100 0.016 0.000 0.963 70 R CB -0.213 30.113 30.300 0.043 0.000 0.858 70 R HN 0.313 nan 8.270 nan 0.000 0.435 71 A N 0.816 123.648 122.820 0.020 0.000 1.972 71 A HA -0.116 4.206 4.320 0.002 0.000 0.219 71 A C 1.690 179.298 177.584 0.039 0.000 1.169 71 A CA 1.355 53.411 52.037 0.032 0.000 0.635 71 A CB -0.249 18.775 19.000 0.040 0.000 0.810 71 A HN 0.326 nan 8.150 nan 0.000 0.446 72 E N -1.210 119.002 120.200 0.020 0.000 2.427 72 E HA 0.120 4.472 4.350 0.002 0.000 0.196 72 E C 1.168 177.779 176.600 0.019 0.000 1.028 72 E CA 0.728 57.140 56.400 0.020 0.000 0.864 72 E CB -0.254 29.419 29.700 -0.046 0.000 0.813 72 E HN 0.829 nan 8.360 nan 0.000 0.514 73 G N 1.116 109.925 108.800 0.016 0.000 2.165 73 G HA2 -0.242 3.719 3.960 0.002 0.000 0.226 73 G HA3 -0.242 3.719 3.960 0.002 0.000 0.226 73 G C 0.158 175.069 174.900 0.018 0.000 1.035 73 G CA 0.264 45.379 45.100 0.026 0.000 0.744 73 G HN 0.133 nan 8.290 nan 0.000 0.501 74 V N 0.409 120.322 119.914 -0.000 0.000 2.546 74 V HA 0.400 4.521 4.120 0.002 0.000 0.284 74 V C 0.706 176.835 176.094 0.058 0.000 1.050 74 V CA -0.212 62.094 62.300 0.010 0.000 0.981 74 V CB 1.676 33.471 31.823 -0.046 0.000 0.990 74 V HN 0.462 nan 8.190 nan 0.000 0.474 75 D N 3.682 124.144 120.400 0.103 0.000 2.383 75 D HA 0.198 4.839 4.640 0.002 0.000 0.252 75 D C 0.405 176.816 176.300 0.185 0.000 1.166 75 D CA 0.202 54.291 54.000 0.147 0.000 0.879 75 D CB 0.646 41.566 40.800 0.201 0.000 1.164 75 D HN 0.457 nan 8.370 nan 0.000 0.462 76 L N 3.492 124.810 121.223 0.159 0.000 3.110 76 L HA 0.134 4.475 4.340 0.002 0.000 0.266 76 L C 1.807 178.738 176.870 0.101 0.000 1.257 76 L CA -0.254 54.718 54.840 0.221 0.000 1.038 76 L CB 0.105 42.346 42.059 0.303 0.000 1.395 76 L HN 0.469 nan 8.230 nan 0.000 0.566 77 T N -0.835 113.698 114.554 -0.036 0.000 2.680 77 T HA -0.216 4.135 4.350 0.002 0.000 0.268 77 T C 1.240 175.611 174.700 -0.549 0.000 1.033 77 T CA 1.605 63.516 62.100 -0.314 0.000 1.152 77 T CB -0.229 68.359 68.868 -0.466 0.000 0.859 77 T HN 0.407 nan 8.240 nan 0.000 0.452 78 H N -1.299 117.650 119.070 -0.201 0.000 2.469 78 H HA 0.345 4.902 4.556 0.002 0.000 0.286 78 H C -0.666 174.658 175.328 -0.006 0.000 1.106 78 H CA -0.554 55.402 56.048 -0.154 0.000 1.055 78 H CB -0.132 29.447 29.762 -0.304 0.000 1.618 78 H HN 0.292 nan 8.280 nan 0.000 0.559 79 F N 1.348 121.300 119.950 0.003 0.000 2.495 79 F HA 0.579 5.107 4.527 0.002 0.000 0.327 79 F C -0.455 175.373 175.800 0.046 0.000 1.103 79 F CA -0.873 57.165 58.000 0.062 0.000 0.949 79 F CB 1.365 40.471 39.000 0.176 0.000 1.142 79 F HN -0.088 nan 8.300 nan 0.000 0.457 80 R N 3.259 123.205 120.500 -0.924 0.000 2.712 80 R HA 0.445 4.787 4.340 0.002 0.000 0.272 80 R C -1.530 174.383 176.300 -0.645 0.000 1.032 80 R CA -0.902 54.820 56.100 -0.629 0.000 0.874 80 R CB 1.515 31.661 30.300 -0.258 0.000 1.256 80 R HN 0.781 nan 8.270 nan 0.000 0.468 81 R N 1.064 121.346 120.500 -0.362 0.000 2.357 81 R HA 0.686 5.027 4.340 0.002 0.000 0.296 81 R C -0.871 175.338 176.300 -0.152 0.000 1.052 81 R CA -0.177 55.790 56.100 -0.222 0.000 0.988 81 R CB 1.697 31.934 30.300 -0.105 0.000 1.025 81 R HN 0.586 nan 8.270 nan 0.000 0.469 82 A N 4.502 127.247 122.820 -0.125 0.000 2.527 82 A HA 0.638 4.960 4.320 0.002 0.000 0.293 82 A C -2.602 174.946 177.584 -0.060 0.000 1.117 82 A CA -2.104 49.879 52.037 -0.090 0.000 0.723 82 A CB 1.361 20.300 19.000 -0.102 0.000 1.313 82 A HN 0.416 nan 8.150 nan 0.000 0.411 83 P HA 0.366 nan 4.420 nan 0.000 0.264 83 P C 0.582 177.869 177.300 -0.021 0.000 1.179 83 P CA 2.211 65.300 63.100 -0.017 0.000 0.763 83 P CB 0.415 32.108 31.700 -0.013 0.000 0.806 84 G N 1.399 110.210 108.800 0.018 0.000 2.373 84 G HA2 0.172 4.133 3.960 0.002 0.000 0.634 84 G HA3 0.172 4.133 3.960 0.002 0.000 0.634 84 G C -1.264 173.679 174.900 0.073 0.000 1.267 84 G CA -0.584 44.535 45.100 0.032 0.000 1.008 84 G HN 0.514 nan 8.290 nan 0.000 0.497 85 F N -1.118 118.846 119.950 0.024 0.000 2.541 85 F HA 0.897 5.425 4.527 0.002 0.000 0.331 85 F C 0.275 176.106 175.800 0.052 0.000 1.057 85 F CA -0.766 57.256 58.000 0.036 0.000 0.975 85 F CB 1.483 40.509 39.000 0.042 0.000 1.246 85 F HN 0.533 nan 8.300 nan 0.000 0.484 86 T N 1.373 116.006 114.554 0.130 0.000 2.806 86 T HA 0.533 4.885 4.350 0.002 0.000 0.290 86 T C 0.374 175.225 174.700 0.251 0.000 0.966 86 T CA -0.244 61.901 62.100 0.075 0.000 1.060 86 T CB 1.071 70.017 68.868 0.130 0.000 0.927 86 T HN 1.021 nan 8.240 nan 0.000 0.485 87 G N 2.089 110.976 108.800 0.145 0.000 2.483 87 G HA2 0.533 4.494 3.960 0.002 0.000 0.248 87 G HA3 0.533 4.494 3.960 0.002 0.000 0.248 87 G C -0.606 174.492 174.900 0.330 0.000 1.248 87 G CA -0.467 44.827 45.100 0.323 0.000 0.838 87 G HN 0.708 nan 8.290 nan 0.000 0.566 88 L N -0.574 120.883 121.223 0.391 0.000 2.403 88 L HA 0.950 5.292 4.340 0.002 0.000 0.253 88 L C -0.954 176.198 176.870 0.472 0.000 1.045 88 L CA -1.825 53.215 54.840 0.334 0.000 0.845 88 L CB 1.750 43.917 42.059 0.180 0.000 1.447 88 L HN 0.769 nan 8.230 nan 0.000 0.411 89 Y N -0.812 119.598 120.300 0.182 0.000 2.552 89 Y HA 0.842 5.393 4.550 0.002 0.000 0.337 89 Y C -2.039 173.921 175.900 0.099 0.000 1.094 89 Y CA -1.524 56.660 58.100 0.141 0.000 1.028 89 Y CB 1.071 39.488 38.460 -0.070 0.000 1.321 89 Y HN 0.627 nan 8.280 nan 0.000 0.456 90 L N 3.751 125.106 121.223 0.219 0.000 2.334 90 L HA 0.712 5.053 4.340 0.002 0.000 0.275 90 L C -0.027 176.974 176.870 0.219 0.000 1.036 90 L CA -0.622 54.299 54.840 0.135 0.000 0.807 90 L CB 1.799 43.987 42.059 0.215 0.000 1.231 90 L HN 0.812 nan 8.230 nan 0.000 0.438 91 R N 1.167 121.749 120.500 0.137 0.000 2.854 91 R HA 0.669 5.010 4.340 0.002 0.000 0.271 91 R C -1.379 175.046 176.300 0.209 0.000 0.994 91 R CA -0.643 55.564 56.100 0.178 0.000 0.945 91 R CB 1.757 32.146 30.300 0.148 0.000 1.194 91 R HN 0.735 nan 8.270 nan 0.000 0.476 92 E N 2.901 123.227 120.200 0.210 0.000 2.343 92 E HA 0.137 4.488 4.350 0.002 0.000 0.288 92 E C -1.956 174.736 176.600 0.152 0.000 0.907 92 E CA -0.629 55.851 56.400 0.133 0.000 0.792 92 E CB 1.086 30.868 29.700 0.137 0.000 1.275 92 E HN 0.643 nan 8.360 nan 0.000 0.402 93 Y N 3.282 123.566 120.300 -0.027 0.000 2.345 93 Y HA 0.514 5.066 4.550 0.002 0.000 0.331 93 Y C -0.306 175.551 175.900 -0.073 0.000 0.959 93 Y CA -1.278 56.795 58.100 -0.045 0.000 1.204 93 Y CB 0.686 39.129 38.460 -0.028 0.000 1.135 93 Y HN 0.237 nan 8.280 nan 0.000 0.477 94 L N 5.781 126.975 121.223 -0.049 0.000 2.439 94 L HA 0.196 4.538 4.340 0.002 0.000 0.269 94 L C -1.300 175.546 176.870 -0.041 0.000 1.179 94 L CA -1.709 53.052 54.840 -0.131 0.000 0.828 94 L CB 0.783 42.741 42.059 -0.168 0.000 1.106 94 L HN 0.409 nan 8.230 nan 0.000 0.467 95 P HA -0.261 nan 4.420 nan 0.000 0.221 95 P C 1.391 178.700 177.300 0.015 0.000 1.160 95 P CA 1.655 64.751 63.100 -0.007 0.000 0.933 95 P CB 0.115 31.811 31.700 -0.006 0.000 0.793 96 L N -3.253 117.977 121.223 0.011 0.000 2.610 96 L HA 0.132 4.474 4.340 0.002 0.000 0.232 96 L C 1.705 178.587 176.870 0.021 0.000 1.149 96 L CA 0.944 55.795 54.840 0.018 0.000 0.872 96 L CB -0.856 41.214 42.059 0.017 0.000 0.992 96 L HN 0.281 nan 8.230 nan 0.000 0.447 97 G N -0.804 108.012 108.800 0.026 0.000 2.253 97 G HA2 -0.222 3.739 3.960 0.002 0.000 0.209 97 G HA3 -0.222 3.739 3.960 0.002 0.000 0.209 97 G C 0.137 175.052 174.900 0.025 0.000 0.997 97 G CA -0.567 44.552 45.100 0.031 0.000 0.640 97 G HN 0.391 nan 8.290 nan 0.000 0.496 98 Q N 1.421 121.228 119.800 0.013 0.000 2.263 98 Q HA 0.536 4.877 4.340 0.002 0.000 0.270 98 Q C 0.745 176.746 176.000 0.002 0.000 1.104 98 Q CA 0.891 56.699 55.803 0.007 0.000 0.909 98 Q CB 1.061 29.805 28.738 0.009 0.000 1.214 98 Q HN 0.630 nan 8.270 nan 0.000 0.400 99 G N 2.103 110.909 108.800 0.009 0.000 2.509 99 G HA2 0.768 4.729 3.960 0.002 0.000 0.328 99 G HA3 0.768 4.729 3.960 0.002 0.000 0.328 99 G C -0.849 174.035 174.900 -0.027 0.000 1.194 99 G CA -0.706 44.402 45.100 0.013 0.000 0.967 99 G HN 0.434 nan 8.290 nan 0.000 0.488 100 R N -0.488 119.981 120.500 -0.052 0.000 2.604 100 R HA 0.497 4.838 4.340 0.002 0.000 0.270 100 R C -1.744 174.358 176.300 -0.328 0.000 1.052 100 R CA -0.451 55.531 56.100 -0.197 0.000 0.902 100 R CB 2.534 32.719 30.300 -0.192 0.000 1.233 100 R HN 0.396 nan 8.270 nan 0.000 0.455 101 V N 3.777 123.382 119.914 -0.515 0.000 2.815 101 V HA 0.655 4.776 4.120 0.002 0.000 0.314 101 V C -1.048 174.547 176.094 -0.831 0.000 1.064 101 V CA -0.619 61.383 62.300 -0.496 0.000 0.952 101 V CB 2.047 33.642 31.823 -0.381 0.000 1.020 101 V HN 0.553 nan 8.190 nan 0.000 0.439 102 F N 2.208 122.099 119.950 -0.097 0.000 2.536 102 F HA 0.611 5.139 4.527 0.002 0.000 0.322 102 F C -0.660 175.129 175.800 -0.018 0.000 1.144 102 F CA -0.636 57.353 58.000 -0.018 0.000 0.924 102 F CB 1.366 40.435 39.000 0.116 0.000 1.181 102 F HN 0.312 nan 8.300 nan 0.000 0.438 103 Y N 1.819 122.233 120.300 0.191 0.000 2.361 103 Y HA 0.454 5.005 4.550 0.002 0.000 0.332 103 Y C -0.705 175.187 175.900 -0.014 0.000 1.101 103 Y CA -0.756 57.442 58.100 0.164 0.000 1.137 103 Y CB 1.186 39.670 38.460 0.041 0.000 1.207 103 Y HN 0.495 nan 8.280 nan 0.000 0.463 104 Y N 2.526 123.040 120.300 0.357 0.000 2.490 104 Y HA 0.297 4.849 4.550 0.002 0.000 0.346 104 Y C 0.483 176.586 175.900 0.339 0.000 1.023 104 Y CA -0.660 57.592 58.100 0.253 0.000 1.142 104 Y CB 0.564 39.123 38.460 0.165 0.000 1.126 104 Y HN 0.602 nan 8.280 nan 0.000 0.647 105 R N -1.002 119.742 120.500 0.406 0.000 2.544 105 R HA 0.219 4.560 4.340 0.002 0.000 0.303 105 R C 0.150 176.611 176.300 0.269 0.000 0.939 105 R CA -0.584 55.741 56.100 0.375 0.000 1.102 105 R CB 0.344 30.787 30.300 0.239 0.000 1.440 105 R HN 0.047 nan 8.270 nan 0.000 0.532 106 K N 1.871 122.408 120.400 0.229 0.000 2.419 106 K HA 0.088 4.409 4.320 0.002 0.000 0.282 106 K C 0.359 177.100 176.600 0.235 0.000 1.056 106 K CA 1.424 57.798 56.287 0.145 0.000 1.035 106 K CB 0.135 32.684 32.500 0.082 0.000 0.921 106 K HN 0.480 nan 8.250 nan 0.000 0.472 107 G N 2.654 111.516 108.800 0.103 0.000 2.141 107 G HA2 -0.288 3.673 3.960 0.002 0.000 0.231 107 G HA3 -0.288 3.673 3.960 0.002 0.000 0.231 107 G C -0.011 174.841 174.900 -0.080 0.000 0.984 107 G CA 0.260 45.413 45.100 0.089 0.000 0.660 107 G HN 0.817 nan 8.290 nan 0.000 0.525 108 S N -0.404 115.089 115.700 -0.346 0.000 2.600 108 S HA 0.680 5.151 4.470 0.002 0.000 0.265 108 S C 1.801 176.122 174.600 -0.465 0.000 1.325 108 S CA 0.521 58.172 58.200 -0.915 0.000 1.002 108 S CB 1.718 64.482 63.200 -0.728 0.000 0.921 108 S HN 1.672 nan 8.310 nan 0.000 0.554 109 A N 1.460 124.010 122.820 -0.450 0.000 2.015 109 A HA 0.168 4.490 4.320 0.002 0.000 0.219 109 A C 2.085 179.568 177.584 -0.169 0.000 1.163 109 A CA 1.374 53.272 52.037 -0.233 0.000 0.646 109 A CB -1.548 17.344 19.000 -0.181 0.000 0.806 109 A HN 1.090 nan 8.150 nan 0.000 0.448 110 G N -0.297 108.409 108.800 -0.158 0.000 2.464 110 G HA2 -0.030 3.931 3.960 0.002 0.000 0.217 110 G HA3 -0.030 3.931 3.960 0.002 0.000 0.217 110 G C 1.577 176.417 174.900 -0.099 0.000 1.138 110 G CA 1.184 46.239 45.100 -0.076 0.000 0.793 110 G HN 0.843 nan 8.290 nan 0.000 0.539 111 S N 0.280 115.905 115.700 -0.126 0.000 2.701 111 S HA 0.521 4.993 4.470 0.002 0.000 0.220 111 S C 2.025 176.552 174.600 -0.122 0.000 0.954 111 S CA 0.730 58.857 58.200 -0.121 0.000 0.936 111 S CB 0.467 63.599 63.200 -0.114 0.000 0.777 111 S HN 0.408 nan 8.310 nan 0.000 0.518 112 A N 1.828 124.571 122.820 -0.128 0.000 1.930 112 A HA 0.352 4.673 4.320 0.002 0.000 0.215 112 A C 1.035 178.542 177.584 -0.129 0.000 1.176 112 A CA -0.033 51.936 52.037 -0.113 0.000 0.632 112 A CB -0.710 18.225 19.000 -0.108 0.000 0.819 112 A HN 0.594 nan 8.150 nan 0.000 0.445 113 L N 0.163 121.264 121.223 -0.203 0.000 3.505 113 L HA -0.113 4.228 4.340 0.002 0.000 0.392 113 L C 0.501 177.290 176.870 -0.135 0.000 1.042 113 L CA 0.278 54.916 54.840 -0.338 0.000 0.788 113 L CB -0.831 40.826 42.059 -0.670 0.000 1.235 113 L HN 0.484 nan 8.230 nan 0.000 0.694 114 A N 6.033 128.835 122.820 -0.029 0.000 2.430 114 A HA 0.859 5.180 4.320 0.002 0.000 0.300 114 A C -2.559 175.100 177.584 0.126 0.000 1.124 114 A CA -1.775 50.304 52.037 0.070 0.000 0.766 114 A CB 1.385 20.367 19.000 -0.030 0.000 1.328 114 A HN 0.423 nan 8.150 nan 0.000 0.424 115 P HA 0.276 nan 4.420 nan 0.000 0.262 115 P C 0.890 177.569 177.300 -1.035 0.000 1.182 115 P CA 2.286 65.068 63.100 -0.531 0.000 0.761 115 P CB 0.535 31.968 31.700 -0.446 0.000 0.795 116 G N 2.826 110.286 108.800 -2.233 0.000 2.157 116 G HA2 -0.284 3.677 3.960 0.002 0.000 0.239 116 G HA3 -0.284 3.677 3.960 0.002 0.000 0.239 116 G C 1.174 175.759 174.900 -0.524 0.000 0.982 116 G CA 0.315 44.566 45.100 -1.414 0.000 0.650 116 G HN 0.648 nan 8.290 nan 0.000 0.527 117 A N -0.577 122.134 122.820 -0.181 0.000 2.042 117 A HA 0.375 4.697 4.320 0.002 0.000 0.222 117 A C 1.002 178.753 177.584 0.277 0.000 1.167 117 A CA 2.074 54.206 52.037 0.159 0.000 0.649 117 A CB -0.482 18.714 19.000 0.327 0.000 0.809 117 A HN 1.861 nan 8.150 nan 0.000 0.457 118 F N -3.627 116.443 119.950 0.200 0.000 2.692 118 F HA 0.644 5.172 4.527 0.002 0.000 0.320 118 F C -0.823 174.955 175.800 -0.036 0.000 1.123 118 F CA -1.819 56.137 58.000 -0.074 0.000 0.961 118 F CB 0.653 39.507 39.000 -0.243 0.000 1.383 118 F HN -0.158 nan 8.300 nan 0.000 0.483 119 D N 2.081 122.340 120.400 -0.235 0.000 2.339 119 D HA 0.279 4.920 4.640 0.002 0.000 0.256 119 D C -1.843 174.462 176.300 0.009 0.000 1.214 119 D CA -2.102 51.863 54.000 -0.057 0.000 0.877 119 D CB 1.641 42.499 40.800 0.097 0.000 1.111 119 D HN 0.235 nan 8.370 nan 0.000 0.478 120 P HA -0.122 nan 4.420 nan 0.000 0.217 120 P C 0.531 177.888 177.300 0.095 0.000 1.148 120 P CA 0.851 63.880 63.100 -0.119 0.000 0.828 120 P CB 0.296 31.909 31.700 -0.144 0.000 0.783 121 D N -2.329 118.147 120.400 0.127 0.000 2.378 121 D HA -0.163 4.479 4.640 0.002 0.000 0.222 121 D C 1.578 178.024 176.300 0.244 0.000 0.980 121 D CA 0.624 54.712 54.000 0.147 0.000 0.907 121 D CB -0.570 40.307 40.800 0.127 0.000 0.899 121 D HN 0.366 nan 8.370 nan 0.000 0.527 122 Y N 0.942 121.359 120.300 0.195 0.000 2.242 122 Y HA -0.105 4.447 4.550 0.002 0.000 0.291 122 Y C 2.061 178.062 175.900 0.169 0.000 1.137 122 Y CA 0.785 59.033 58.100 0.246 0.000 1.181 122 Y CB 0.030 38.703 38.460 0.355 0.000 0.989 122 Y HN -0.103 nan 8.280 nan 0.000 0.527 123 L N 0.791 122.115 121.223 0.168 0.000 2.465 123 L HA -0.102 4.239 4.340 0.002 0.000 0.224 123 L C 0.901 177.758 176.870 -0.023 0.000 1.145 123 L CA 0.466 55.312 54.840 0.009 0.000 0.834 123 L CB -0.482 41.614 42.059 0.062 0.000 0.944 123 L HN 0.228 nan 8.230 nan 0.000 0.451 124 E N 0.653 120.862 120.200 0.016 0.000 2.417 124 E HA 0.066 4.418 4.350 0.002 0.000 0.261 124 E C 1.025 177.618 176.600 -0.013 0.000 1.000 124 E CA 0.722 57.125 56.400 0.004 0.000 0.919 124 E CB 0.400 30.119 29.700 0.032 0.000 0.955 124 E HN 0.338 nan 8.360 nan 0.000 0.455 125 G N 2.993 111.779 108.800 -0.023 0.000 2.179 125 G HA2 -0.263 3.698 3.960 0.002 0.000 0.260 125 G HA3 -0.263 3.698 3.960 0.002 0.000 0.260 125 G C 0.179 175.058 174.900 -0.035 0.000 0.977 125 G CA 0.190 45.276 45.100 -0.022 0.000 0.641 125 G HN 0.499 nan 8.290 nan 0.000 0.533 126 V N 1.797 121.679 119.914 -0.053 0.000 2.546 126 V HA 0.342 4.463 4.120 0.002 0.000 0.284 126 V C 1.832 177.887 176.094 -0.066 0.000 1.050 126 V CA -0.423 61.843 62.300 -0.058 0.000 0.981 126 V CB 1.464 33.234 31.823 -0.089 0.000 0.990 126 V HN 0.310 nan 8.190 nan 0.000 0.474 127 R N 2.784 123.266 120.500 -0.030 0.000 2.062 127 R HA 0.083 4.424 4.340 0.002 0.000 0.229 127 R C -0.245 175.871 176.300 -0.306 0.000 1.128 127 R CA 1.313 57.352 56.100 -0.102 0.000 0.960 127 R CB -0.014 30.357 30.300 0.118 0.000 0.855 127 R HN 0.528 nan 8.270 nan 0.000 0.432 128 F N -0.703 119.238 119.950 -0.016 0.000 2.588 128 F HA 0.355 4.883 4.527 0.002 0.000 0.310 128 F C -0.611 175.199 175.800 0.016 0.000 1.082 128 F CA -1.300 56.709 58.000 0.015 0.000 0.929 128 F CB 1.574 40.599 39.000 0.041 0.000 1.254 128 F HN -0.234 nan 8.300 nan 0.000 0.455 129 L N 2.859 124.224 121.223 0.237 0.000 2.325 129 L HA 0.554 4.896 4.340 0.002 0.000 0.281 129 L C -1.422 175.589 176.870 0.234 0.000 1.004 129 L CA -0.322 54.610 54.840 0.154 0.000 0.823 129 L CB 0.861 42.960 42.059 0.067 0.000 1.236 129 L HN 0.659 nan 8.230 nan 0.000 0.415 130 H N 4.858 124.003 119.070 0.125 0.000 2.466 130 H HA 0.790 5.347 4.556 0.002 0.000 0.338 130 H C -1.421 173.984 175.328 0.128 0.000 1.091 130 H CA -0.380 55.745 56.048 0.129 0.000 1.207 130 H CB 1.078 30.883 29.762 0.073 0.000 1.466 130 H HN 0.722 nan 8.280 nan 0.000 0.493 131 L N 2.664 123.559 121.223 -0.547 0.000 2.327 131 L HA 0.497 4.838 4.340 0.002 0.000 0.258 131 L C -0.465 176.191 176.870 -0.356 0.000 1.024 131 L CA -1.110 53.566 54.840 -0.273 0.000 0.825 131 L CB 2.193 44.246 42.059 -0.010 0.000 1.386 131 L HN 0.572 nan 8.230 nan 0.000 0.417 132 S N -0.975 114.664 115.700 -0.103 0.000 2.536 132 S HA 0.512 4.984 4.470 0.002 0.000 0.298 132 S C 0.768 175.376 174.600 0.013 0.000 1.083 132 S CA -0.013 58.176 58.200 -0.018 0.000 0.995 132 S CB 1.762 64.978 63.200 0.025 0.000 1.058 132 S HN 0.806 nan 8.310 nan 0.000 0.488 133 G N 2.623 111.472 108.800 0.080 0.000 2.586 133 G HA2 -0.020 3.941 3.960 0.002 0.000 0.215 133 G HA3 -0.020 3.941 3.960 0.002 0.000 0.215 133 G C 1.032 175.901 174.900 -0.051 0.000 1.128 133 G CA 0.495 45.659 45.100 0.107 0.000 0.774 133 G HN 0.757 nan 8.290 nan 0.000 0.543 134 I N 0.685 121.203 120.570 -0.087 0.000 2.353 134 I HA -0.126 4.045 4.170 0.002 0.000 0.248 134 I C 2.889 178.825 176.117 -0.303 0.000 1.119 134 I CA 1.102 62.277 61.300 -0.208 0.000 1.417 134 I CB -0.458 37.464 38.000 -0.130 0.000 1.078 134 I HN 0.063 nan 8.210 nan 0.000 0.421 135 T N 2.207 116.642 114.554 -0.198 0.000 2.622 135 T HA -0.102 4.249 4.350 0.002 0.000 0.266 135 T C -0.408 174.135 174.700 -0.263 0.000 1.047 135 T CA 1.682 63.682 62.100 -0.165 0.000 1.159 135 T CB -1.566 67.291 68.868 -0.019 0.000 0.863 135 T HN 0.312 nan 8.240 nan 0.000 0.422 136 P HA 0.040 nan 4.420 nan 0.000 0.225 136 P C 1.055 177.951 177.300 -0.673 0.000 1.148 136 P CA 1.109 63.952 63.100 -0.429 0.000 0.779 136 P CB -0.133 31.126 31.700 -0.734 0.000 0.780 137 A N -0.313 121.856 122.820 -1.085 0.000 2.119 137 A HA 0.021 4.342 4.320 0.002 0.000 0.216 137 A C 2.288 179.460 177.584 -0.687 0.000 1.152 137 A CA 0.469 51.655 52.037 -1.419 0.000 0.708 137 A CB -1.277 16.519 19.000 -2.006 0.000 0.805 137 A HN 0.127 nan 8.150 nan 0.000 0.460 138 L N -0.153 120.791 121.223 -0.465 0.000 2.141 138 L HA -0.034 4.307 4.340 0.002 0.000 0.209 138 L C 1.147 177.896 176.870 -0.201 0.000 1.094 138 L CA 1.115 55.777 54.840 -0.296 0.000 0.763 138 L CB -0.339 41.584 42.059 -0.226 0.000 0.908 138 L HN 0.618 nan 8.230 nan 0.000 0.437 139 S N -4.474 111.124 115.700 -0.169 0.000 2.627 139 S HA 0.276 4.747 4.470 0.002 0.000 0.268 139 S C -2.584 171.993 174.600 -0.039 0.000 1.130 139 S CA -1.005 57.143 58.200 -0.086 0.000 0.819 139 S CB 1.173 64.334 63.200 -0.065 0.000 1.100 139 S HN -0.317 nan 8.310 nan 0.000 0.465 140 P HA 0.053 nan 4.420 nan 0.000 0.218 140 P C 0.859 178.192 177.300 0.056 0.000 1.149 140 P CA 1.242 64.370 63.100 0.046 0.000 0.817 140 P CB 0.007 31.735 31.700 0.046 0.000 0.785 141 E N -0.399 119.820 120.200 0.031 0.000 2.106 141 E HA -0.074 4.277 4.350 0.002 0.000 0.192 141 E C 2.075 178.728 176.600 0.089 0.000 0.984 141 E CA 1.345 57.770 56.400 0.042 0.000 0.806 141 E CB -0.954 28.748 29.700 0.004 0.000 0.750 141 E HN 0.151 nan 8.360 nan 0.000 0.458 142 A N 0.691 123.541 122.820 0.050 0.000 1.970 142 A HA -0.074 4.248 4.320 0.002 0.000 0.216 142 A C 2.101 179.775 177.584 0.151 0.000 1.170 142 A CA 1.258 53.343 52.037 0.080 0.000 0.645 142 A CB -0.309 18.663 19.000 -0.047 0.000 0.816 142 A HN 0.112 nan 8.150 nan 0.000 0.447 143 R N -0.205 120.350 120.500 0.091 0.000 2.115 143 R HA -0.055 4.286 4.340 0.002 0.000 0.230 143 R C 2.143 178.604 176.300 0.269 0.000 1.111 143 R CA 1.419 57.612 56.100 0.154 0.000 0.976 143 R CB -0.331 30.072 30.300 0.172 0.000 0.870 143 R HN 0.417 nan 8.270 nan 0.000 0.445 144 A N 0.486 123.437 122.820 0.219 0.000 1.872 144 A HA -0.142 4.180 4.320 0.002 0.000 0.214 144 A C 1.963 179.705 177.584 0.264 0.000 1.187 144 A CA 1.095 53.258 52.037 0.210 0.000 0.614 144 A CB -0.839 18.243 19.000 0.136 0.000 0.826 144 A HN 0.526 nan 8.150 nan 0.000 0.442 145 F N 1.793 121.844 119.950 0.168 0.000 2.087 145 F HA -0.251 4.277 4.527 0.002 0.000 0.299 145 F C 2.443 178.449 175.800 0.344 0.000 1.100 145 F CA 2.021 60.181 58.000 0.266 0.000 1.226 145 F CB -0.529 38.580 39.000 0.181 0.000 0.983 145 F HN 0.208 nan 8.300 nan 0.000 0.479 146 S N 1.431 117.290 115.700 0.265 0.000 2.365 146 S HA -0.253 4.218 4.470 0.002 0.000 0.221 146 S C 2.071 176.735 174.600 0.108 0.000 1.037 146 S CA 2.001 60.317 58.200 0.193 0.000 1.060 146 S CB -0.896 62.505 63.200 0.334 0.000 0.974 146 S HN 0.456 nan 8.310 nan 0.000 0.427 147 L N -0.476 120.873 121.223 0.209 0.000 2.012 147 L HA -0.160 4.182 4.340 0.002 0.000 0.210 147 L C 2.392 179.289 176.870 0.045 0.000 1.073 147 L CA 1.722 56.636 54.840 0.124 0.000 0.748 147 L CB -0.620 41.525 42.059 0.143 0.000 0.891 147 L HN 0.484 nan 8.230 nan 0.000 0.431 148 W N 1.153 122.387 121.300 -0.110 0.000 2.338 148 W HA -0.241 4.420 4.660 0.002 0.000 0.304 148 W C 2.500 178.882 176.519 -0.229 0.000 1.212 148 W CA 1.785 59.034 57.345 -0.160 0.000 1.264 148 W CB -0.244 29.113 29.460 -0.172 0.000 1.142 148 W HN 0.119 nan 8.180 nan 0.000 0.512 149 A N 1.542 124.050 122.820 -0.519 0.000 1.851 149 A HA -0.249 4.072 4.320 0.002 0.000 0.216 149 A C 2.161 179.476 177.584 -0.448 0.000 1.195 149 A CA 2.836 54.438 52.037 -0.724 0.000 0.622 149 A CB -1.280 17.354 19.000 -0.610 0.000 0.831 149 A HN 0.559 nan 8.150 nan 0.000 0.444 150 M N -1.168 118.287 119.600 -0.242 0.000 2.296 150 M HA -0.038 4.443 4.480 0.002 0.000 0.265 150 M C 1.813 178.007 176.300 -0.178 0.000 1.064 150 M CA 2.165 57.376 55.300 -0.147 0.000 1.109 150 M CB -0.665 31.905 32.600 -0.050 0.000 1.396 150 M HN 0.556 nan 8.290 nan 0.000 0.430 151 E N 1.349 121.415 120.200 -0.222 0.000 2.051 151 E HA -0.251 4.101 4.350 0.002 0.000 0.192 151 E C 1.859 178.306 176.600 -0.255 0.000 0.991 151 E CA 1.683 57.966 56.400 -0.194 0.000 0.799 151 E CB 0.014 29.618 29.700 -0.159 0.000 0.748 151 E HN 0.564 nan 8.360 nan 0.000 0.449 152 E N 0.259 120.193 120.200 -0.444 0.000 2.150 152 E HA -0.084 4.267 4.350 0.002 0.000 0.193 152 E C 1.657 178.096 176.600 -0.269 0.000 0.985 152 E CA 1.248 57.382 56.400 -0.444 0.000 0.814 152 E CB -0.201 29.000 29.700 -0.832 0.000 0.752 152 E HN 0.384 nan 8.360 nan 0.000 0.466 153 A N 0.617 123.297 122.820 -0.234 0.000 1.897 153 A HA -0.159 4.162 4.320 0.002 0.000 0.215 153 A C 2.125 179.639 177.584 -0.116 0.000 1.181 153 A CA 1.715 53.670 52.037 -0.137 0.000 0.620 153 A CB -0.463 18.476 19.000 -0.102 0.000 0.821 153 A HN 0.204 nan 8.150 nan 0.000 0.443 154 K N -0.358 119.972 120.400 -0.117 0.000 2.057 154 K HA -0.124 4.197 4.320 0.002 0.000 0.207 154 K C 2.210 178.757 176.600 -0.088 0.000 1.049 154 K CA 1.382 57.613 56.287 -0.094 0.000 0.931 154 K CB -0.202 32.248 32.500 -0.084 0.000 0.714 154 K HN 0.361 nan 8.250 nan 0.000 0.440 155 R N 0.231 120.672 120.500 -0.100 0.000 2.241 155 R HA -0.077 4.265 4.340 0.002 0.000 0.224 155 R C 1.484 177.741 176.300 -0.071 0.000 1.101 155 R CA 1.174 57.224 56.100 -0.082 0.000 0.995 155 R CB 0.093 30.336 30.300 -0.095 0.000 0.870 155 R HN 0.070 nan 8.270 nan 0.000 0.463 156 R N -1.321 119.132 120.500 -0.079 0.000 2.509 156 R HA 0.122 4.464 4.340 0.002 0.000 0.300 156 R C 0.084 176.344 176.300 -0.066 0.000 0.985 156 R CA 0.585 56.647 56.100 -0.064 0.000 1.092 156 R CB 0.968 31.231 30.300 -0.062 0.000 1.237 156 R HN 0.330 nan 8.270 nan 0.000 0.546 157 G N 0.977 109.732 108.800 -0.074 0.000 2.246 157 G HA2 -0.230 3.731 3.960 0.002 0.000 0.273 157 G HA3 -0.230 3.731 3.960 0.002 0.000 0.273 157 G C -0.283 174.551 174.900 -0.109 0.000 1.055 157 G CA 0.362 45.413 45.100 -0.082 0.000 0.851 157 G HN 0.152 nan 8.290 nan 0.000 0.500 158 V N 1.514 121.359 119.914 -0.115 0.000 2.394 158 V HA 0.420 4.541 4.120 0.002 0.000 0.282 158 V C 1.057 177.047 176.094 -0.173 0.000 1.031 158 V CA -1.130 61.083 62.300 -0.145 0.000 0.881 158 V CB 1.437 33.199 31.823 -0.100 0.000 0.982 158 V HN 0.396 nan 8.190 nan 0.000 0.451 159 R N 3.074 123.386 120.500 -0.314 0.000 2.522 159 R HA 0.242 4.583 4.340 0.002 0.000 0.284 159 R C -0.655 175.591 176.300 -0.090 0.000 1.032 159 R CA -0.172 55.734 56.100 -0.323 0.000 1.049 159 R CB 0.888 30.698 30.300 -0.816 0.000 0.956 159 R HN 0.461 nan 8.270 nan 0.000 0.422 160 V N 2.674 122.604 119.914 0.026 0.000 2.350 160 V HA 0.090 4.211 4.120 0.002 0.000 0.276 160 V C 0.405 176.636 176.094 0.228 0.000 1.028 160 V CA -0.173 62.196 62.300 0.116 0.000 0.860 160 V CB 1.520 33.376 31.823 0.054 0.000 0.990 160 V HN 0.741 nan 8.190 nan 0.000 0.453 161 S N 5.957 121.862 115.700 0.341 0.000 2.437 161 S HA 0.767 5.238 4.470 0.002 0.000 0.305 161 S C -1.048 173.739 174.600 0.310 0.000 1.109 161 S CA -0.542 57.924 58.200 0.443 0.000 1.099 161 S CB 1.069 64.663 63.200 0.657 0.000 1.004 161 S HN 0.594 nan 8.310 nan 0.000 0.475 162 L N 4.435 125.848 121.223 0.318 0.000 2.409 162 L HA 0.626 4.967 4.340 0.002 0.000 0.272 162 L C -1.348 175.726 176.870 0.340 0.000 0.980 162 L CA -0.268 54.702 54.840 0.216 0.000 0.826 162 L CB 2.045 44.227 42.059 0.204 0.000 1.268 162 L HN 0.636 nan 8.230 nan 0.000 0.407 163 D N 3.837 124.395 120.400 0.263 0.000 2.412 163 D HA 0.216 4.857 4.640 0.002 0.000 0.224 163 D C 1.088 177.526 176.300 0.230 0.000 1.093 163 D CA -0.219 53.968 54.000 0.311 0.000 0.850 163 D CB 1.572 42.527 40.800 0.259 0.000 1.046 163 D HN 0.398 nan 8.370 nan 0.000 0.507 164 V N 3.890 123.956 119.914 0.252 0.000 2.231 164 V HA -0.314 3.807 4.120 0.002 0.000 0.250 164 V C 0.888 177.134 176.094 0.254 0.000 1.058 164 V CA 1.494 63.950 62.300 0.260 0.000 1.022 164 V CB -0.823 31.146 31.823 0.243 0.000 0.640 164 V HN 0.787 nan 8.190 nan 0.000 0.445 165 N N -0.216 118.610 118.700 0.211 0.000 2.669 165 N HA -0.244 4.497 4.740 0.002 0.000 0.266 165 N C -0.515 175.129 175.510 0.222 0.000 1.024 165 N CA 0.609 53.760 53.050 0.167 0.000 0.766 165 N CB -1.120 37.431 38.487 0.107 0.000 0.898 165 N HN 0.685 nan 8.380 nan 0.000 0.548 166 Y N 1.626 122.025 120.300 0.165 0.000 2.650 166 Y HA 0.106 4.657 4.550 0.002 0.000 0.342 166 Y C 0.350 176.362 175.900 0.187 0.000 1.110 166 Y CA -0.232 58.003 58.100 0.225 0.000 1.438 166 Y CB 0.378 38.925 38.460 0.145 0.000 1.181 166 Y HN 0.019 nan 8.280 nan 0.000 0.526 167 R N 6.779 127.088 120.500 -0.320 0.000 2.233 167 R HA 0.117 4.459 4.340 0.002 0.000 0.334 167 R C 0.808 176.767 176.300 -0.568 0.000 1.037 167 R CA -0.198 55.657 56.100 -0.409 0.000 0.920 167 R CB 0.850 30.992 30.300 -0.263 0.000 1.137 167 R HN 0.893 nan 8.270 nan 0.000 0.492 168 Q N 0.222 119.605 119.800 -0.695 0.000 2.368 168 Q HA -0.122 4.219 4.340 0.002 0.000 0.210 168 Q C 0.851 176.781 176.000 -0.117 0.000 0.982 168 Q CA 1.547 57.130 55.803 -0.366 0.000 0.884 168 Q CB 0.068 28.715 28.738 -0.152 0.000 0.933 168 Q HN 0.483 nan 8.270 nan 0.000 0.460 169 T N 1.315 115.773 114.554 -0.160 0.000 2.737 169 T HA -0.080 4.271 4.350 0.002 0.000 0.265 169 T C 1.876 176.493 174.700 -0.139 0.000 1.038 169 T CA 0.910 62.928 62.100 -0.137 0.000 1.144 169 T CB -0.101 68.632 68.868 -0.226 0.000 0.866 169 T HN 0.213 nan 8.240 nan 0.000 0.434 170 L N -0.987 120.114 121.223 -0.204 0.000 2.068 170 L HA 0.145 4.486 4.340 0.002 0.000 0.204 170 L C 0.973 177.827 176.870 -0.026 0.000 1.076 170 L CA 0.524 55.217 54.840 -0.245 0.000 0.753 170 L CB -0.259 41.485 42.059 -0.525 0.000 0.910 170 L HN 0.462 nan 8.230 nan 0.000 0.439 171 W N -1.218 120.062 121.300 -0.033 0.000 3.018 171 W HA 0.574 5.235 4.660 0.002 0.000 0.352 171 W C -0.417 176.217 176.519 0.191 0.000 1.230 171 W CA -2.142 55.241 57.345 0.064 0.000 1.162 171 W CB -0.163 29.344 29.460 0.079 0.000 1.483 171 W HN -0.126 nan 8.180 nan 0.000 0.584 172 S N -0.285 115.616 115.700 0.335 0.000 2.652 172 S HA 0.485 4.956 4.470 0.002 0.000 0.270 172 S C -1.928 172.623 174.600 -0.081 0.000 1.243 172 S CA -0.954 57.355 58.200 0.181 0.000 0.999 172 S CB 1.983 65.224 63.200 0.068 0.000 0.973 172 S HN 0.287 nan 8.310 nan 0.000 0.544 173 P HA -0.039 nan 4.420 nan 0.000 0.221 173 P C 0.714 177.724 177.300 -0.482 0.000 1.145 173 P CA 1.038 63.760 63.100 -0.630 0.000 0.795 173 P CB 0.040 31.453 31.700 -0.478 0.000 0.775 174 E N -0.188 119.830 120.200 -0.305 0.000 2.028 174 E HA -0.134 4.217 4.350 0.002 0.000 0.190 174 E C 1.900 178.345 176.600 -0.259 0.000 0.984 174 E CA 1.076 57.326 56.400 -0.250 0.000 0.800 174 E CB -0.746 28.867 29.700 -0.145 0.000 0.758 174 E HN 0.366 nan 8.360 nan 0.000 0.448 175 E N 0.481 120.538 120.200 -0.238 0.000 2.150 175 E HA -0.126 4.225 4.350 0.002 0.000 0.193 175 E C 1.968 178.212 176.600 -0.595 0.000 0.985 175 E CA 0.831 57.101 56.400 -0.216 0.000 0.814 175 E CB -0.111 29.598 29.700 0.016 0.000 0.752 175 E HN 0.254 nan 8.360 nan 0.000 0.466 176 A N 1.474 123.699 122.820 -0.990 0.000 1.873 176 A HA -0.165 4.156 4.320 0.002 0.000 0.215 176 A C 2.107 179.377 177.584 -0.524 0.000 1.186 176 A CA 1.290 52.569 52.037 -1.264 0.000 0.616 176 A CB -0.366 17.998 19.000 -1.060 0.000 0.823 176 A HN 0.044 nan 8.150 nan 0.000 0.442 177 R N -0.719 119.519 120.500 -0.437 0.000 2.081 177 R HA -0.118 4.223 4.340 0.002 0.000 0.235 177 R C 2.300 178.502 176.300 -0.164 0.000 1.131 177 R CA 1.470 57.393 56.100 -0.296 0.000 0.960 177 R CB -0.647 29.396 30.300 -0.428 0.000 0.856 177 R HN 0.506 nan 8.270 nan 0.000 0.436 178 G N 0.225 108.924 108.800 -0.169 0.000 2.446 178 G HA2 -0.332 3.629 3.960 0.002 0.000 0.217 178 G HA3 -0.332 3.629 3.960 0.002 0.000 0.217 178 G C 1.249 176.134 174.900 -0.025 0.000 1.168 178 G CA 0.789 45.842 45.100 -0.078 0.000 0.771 178 G HN 0.414 nan 8.290 nan 0.000 0.551 179 F N 1.344 121.227 119.950 -0.112 0.000 2.095 179 F HA -0.025 4.503 4.527 0.002 0.000 0.298 179 F C 2.469 178.288 175.800 0.032 0.000 1.104 179 F CA 1.319 59.331 58.000 0.019 0.000 1.232 179 F CB -0.287 38.789 39.000 0.127 0.000 0.987 179 F HN 0.063 nan 8.300 nan 0.000 0.475 180 L N 0.179 121.416 121.223 0.022 0.000 1.970 180 L HA -0.259 4.082 4.340 0.002 0.000 0.212 180 L C 2.444 179.257 176.870 -0.095 0.000 1.071 180 L CA 2.018 56.860 54.840 0.003 0.000 0.751 180 L CB -0.974 41.170 42.059 0.142 0.000 0.889 180 L HN 0.099 nan 8.230 nan 0.000 0.432 181 E N -0.416 119.756 120.200 -0.046 0.000 2.171 181 E HA -0.274 4.078 4.350 0.002 0.000 0.197 181 E C 2.195 178.735 176.600 -0.099 0.000 0.997 181 E CA 1.398 57.773 56.400 -0.041 0.000 0.810 181 E CB -0.050 29.638 29.700 -0.020 0.000 0.738 181 E HN 0.286 nan 8.360 nan 0.000 0.467 182 R N -0.337 120.060 120.500 -0.173 0.000 2.100 182 R HA 0.098 4.439 4.340 0.002 0.000 0.220 182 R C 1.982 178.128 176.300 -0.257 0.000 1.091 182 R CA 1.154 57.139 56.100 -0.192 0.000 0.986 182 R CB -0.077 30.111 30.300 -0.186 0.000 0.888 182 R HN 0.128 nan 8.270 nan 0.000 0.444 183 A N 1.448 124.005 122.820 -0.438 0.000 1.975 183 A HA 0.028 4.349 4.320 0.002 0.000 0.215 183 A C 2.025 179.505 177.584 -0.173 0.000 1.170 183 A CA 0.430 52.232 52.037 -0.392 0.000 0.656 183 A CB -0.488 18.070 19.000 -0.738 0.000 0.821 183 A HN 0.358 nan 8.150 nan 0.000 0.449 184 L N 0.389 121.534 121.223 -0.131 0.000 2.064 184 L HA -0.160 4.181 4.340 0.002 0.000 0.216 184 L C -0.697 176.144 176.870 -0.049 0.000 1.077 184 L CA 2.581 57.386 54.840 -0.058 0.000 0.766 184 L CB -1.889 40.142 42.059 -0.047 0.000 0.890 184 L HN 0.196 nan 8.230 nan 0.000 0.435 185 P HA -0.087 nan 4.420 nan 0.000 0.219 185 P C 1.293 178.569 177.300 -0.041 0.000 1.146 185 P CA 1.457 64.528 63.100 -0.048 0.000 0.808 185 P CB -0.199 31.470 31.700 -0.051 0.000 0.779 186 G N -1.303 107.470 108.800 -0.045 0.000 3.042 186 G HA2 0.101 4.062 3.960 0.002 0.000 0.212 186 G HA3 0.101 4.062 3.960 0.002 0.000 0.212 186 G C 0.196 175.088 174.900 -0.013 0.000 1.166 186 G CA 0.029 45.107 45.100 -0.036 0.000 0.767 186 G HN 0.135 nan 8.290 nan 0.000 0.546 187 V N 1.075 120.990 119.914 0.000 0.000 2.509 187 V HA 0.260 4.381 4.120 0.002 0.000 0.284 187 V C 0.225 176.337 176.094 0.030 0.000 1.047 187 V CA -0.378 61.942 62.300 0.033 0.000 0.952 187 V CB 1.786 33.638 31.823 0.049 0.000 0.988 187 V HN 0.178 nan 8.190 nan 0.000 0.469 188 D N 2.523 122.958 120.400 0.058 0.000 2.454 188 D HA 0.186 4.827 4.640 0.002 0.000 0.219 188 D C -0.156 176.195 176.300 0.086 0.000 1.081 188 D CA 0.385 54.418 54.000 0.056 0.000 0.867 188 D CB 1.494 42.319 40.800 0.042 0.000 1.054 188 D HN 0.303 nan 8.370 nan 0.000 0.500 189 L N 1.630 122.922 121.223 0.115 0.000 2.491 189 L HA 0.393 4.734 4.340 0.002 0.000 0.267 189 L C -1.877 174.989 176.870 -0.007 0.000 0.971 189 L CA -0.799 54.069 54.840 0.047 0.000 0.857 189 L CB 1.861 44.031 42.059 0.186 0.000 1.226 189 L HN -0.233 nan 8.230 nan 0.000 0.408 190 L N 5.226 126.375 121.223 -0.123 0.000 2.298 190 L HA 0.644 4.985 4.340 0.002 0.000 0.284 190 L C -1.350 175.422 176.870 -0.163 0.000 1.013 190 L CA 0.113 54.929 54.840 -0.040 0.000 0.824 190 L CB 0.939 42.999 42.059 0.003 0.000 1.221 190 L HN 0.448 nan 8.230 nan 0.000 0.418 191 F N 6.206 126.215 119.950 0.098 0.000 2.405 191 F HA 0.588 5.116 4.527 0.002 0.000 0.355 191 F C -0.165 175.689 175.800 0.091 0.000 1.121 191 F CA -0.346 57.710 58.000 0.093 0.000 1.112 191 F CB 1.456 40.539 39.000 0.138 0.000 1.126 191 F HN 0.342 nan 8.300 nan 0.000 0.481 192 L N 3.194 124.533 121.223 0.192 0.000 2.409 192 L HA 0.700 5.042 4.340 0.002 0.000 0.262 192 L C -0.451 176.462 176.870 0.071 0.000 0.992 192 L CA -0.404 54.512 54.840 0.126 0.000 0.817 192 L CB 2.206 44.309 42.059 0.074 0.000 1.350 192 L HN 0.552 nan 8.230 nan 0.000 0.411 193 S N 1.664 117.395 115.700 0.051 0.000 2.638 193 S HA 0.496 4.967 4.470 0.002 0.000 0.298 193 S C 0.591 175.187 174.600 -0.006 0.000 1.111 193 S CA -0.401 57.795 58.200 -0.008 0.000 1.027 193 S CB 1.412 64.606 63.200 -0.009 0.000 1.064 193 S HN 0.757 nan 8.310 nan 0.000 0.525 194 E N 1.075 121.246 120.200 -0.048 0.000 2.038 194 E HA -0.203 4.148 4.350 0.002 0.000 0.195 194 E C 1.682 178.281 176.600 -0.001 0.000 1.000 194 E CA 1.850 58.225 56.400 -0.041 0.000 0.803 194 E CB -0.252 29.396 29.700 -0.087 0.000 0.750 194 E HN 0.803 nan 8.360 nan 0.000 0.448 195 E N 1.144 121.347 120.200 0.004 0.000 2.070 195 E HA -0.231 4.120 4.350 0.002 0.000 0.197 195 E C 1.922 178.560 176.600 0.063 0.000 1.004 195 E CA 1.506 57.925 56.400 0.031 0.000 0.805 195 E CB -0.159 29.562 29.700 0.034 0.000 0.744 195 E HN 0.313 nan 8.360 nan 0.000 0.451 196 E N 0.314 120.565 120.200 0.084 0.000 2.051 196 E HA -0.201 4.150 4.350 0.002 0.000 0.192 196 E C 2.135 178.800 176.600 0.109 0.000 0.991 196 E CA 0.993 57.465 56.400 0.118 0.000 0.799 196 E CB -0.236 29.553 29.700 0.149 0.000 0.748 196 E HN 0.312 nan 8.360 nan 0.000 0.449 197 A N 1.567 124.444 122.820 0.094 0.000 1.883 197 A HA -0.278 4.043 4.320 0.002 0.000 0.217 197 A C 1.976 179.647 177.584 0.144 0.000 1.186 197 A CA 1.727 53.830 52.037 0.111 0.000 0.624 197 A CB -0.466 18.550 19.000 0.028 0.000 0.822 197 A HN 0.188 nan 8.150 nan 0.000 0.444 198 E N -0.703 119.545 120.200 0.080 0.000 2.072 198 E HA -0.090 4.261 4.350 0.002 0.000 0.190 198 E C 1.973 178.597 176.600 0.039 0.000 0.982 198 E CA 0.940 57.377 56.400 0.061 0.000 0.803 198 E CB -0.250 29.472 29.700 0.036 0.000 0.755 198 E HN 0.625 nan 8.360 nan 0.000 0.453 199 L N 0.672 121.913 121.223 0.030 0.000 2.456 199 L HA -0.099 4.243 4.340 0.002 0.000 0.224 199 L C 1.466 178.266 176.870 -0.116 0.000 1.148 199 L CA 0.514 55.347 54.840 -0.010 0.000 0.825 199 L CB 0.275 42.364 42.059 0.049 0.000 0.937 199 L HN 0.098 nan 8.230 nan 0.000 0.450 200 L N -2.312 118.858 121.223 -0.089 0.000 2.920 200 L HA 0.236 4.578 4.340 0.002 0.000 0.257 200 L C 0.134 176.732 176.870 -0.454 0.000 1.150 200 L CA 0.600 55.278 54.840 -0.270 0.000 0.959 200 L CB 0.780 42.724 42.059 -0.193 0.000 1.321 200 L HN 0.030 nan 8.230 nan 0.000 0.555 201 F N -1.846 118.048 119.950 -0.093 0.000 2.936 201 F HA 0.472 5.000 4.527 0.002 0.000 0.334 201 F C 1.528 177.297 175.800 -0.053 0.000 1.170 201 F CA 0.273 58.230 58.000 -0.073 0.000 1.104 201 F CB 0.804 39.764 39.000 -0.065 0.000 1.216 201 F HN -0.063 nan 8.300 nan 0.000 0.518 202 G N 1.234 110.075 108.800 0.068 0.000 3.206 202 G HA2 -0.257 3.704 3.960 0.002 0.000 0.217 202 G HA3 -0.257 3.704 3.960 0.002 0.000 0.217 202 G C 0.436 175.367 174.900 0.052 0.000 1.350 202 G CA -0.049 45.076 45.100 0.042 0.000 0.836 202 G HN 0.290 nan 8.290 nan 0.000 0.548 203 R N -0.969 119.574 120.500 0.073 0.000 2.668 203 R HA 0.511 4.853 4.340 0.002 0.000 0.272 203 R C 0.827 177.157 176.300 0.049 0.000 1.019 203 R CA -0.396 55.735 56.100 0.053 0.000 0.894 203 R CB 1.872 32.197 30.300 0.041 0.000 1.228 203 R HN 0.188 nan 8.270 nan 0.000 0.460 204 V N 1.776 121.713 119.914 0.038 0.000 3.362 204 V HA -0.196 3.925 4.120 0.002 0.000 0.275 204 V C 0.770 176.878 176.094 0.024 0.000 1.208 204 V CA 1.729 64.046 62.300 0.029 0.000 1.195 204 V CB -1.068 30.774 31.823 0.032 0.000 0.843 204 V HN 0.707 nan 8.190 nan 0.000 0.556 205 E N -0.245 119.963 120.200 0.015 0.000 2.228 205 E HA -0.004 4.347 4.350 0.002 0.000 0.197 205 E C 2.127 178.690 176.600 -0.062 0.000 0.909 205 E CA 0.418 56.812 56.400 -0.010 0.000 0.911 205 E CB -0.268 29.442 29.700 0.017 0.000 0.887 205 E HN 0.427 nan 8.360 nan 0.000 0.481 206 E N 1.702 121.884 120.200 -0.029 0.000 2.077 206 E HA -0.107 4.245 4.350 0.002 0.000 0.193 206 E C 1.863 178.357 176.600 -0.177 0.000 0.989 206 E CA 1.614 57.993 56.400 -0.034 0.000 0.800 206 E CB -0.469 29.273 29.700 0.071 0.000 0.746 206 E HN 0.178 nan 8.360 nan 0.000 0.452 207 A N 0.764 123.431 122.820 -0.255 0.000 1.986 207 A HA -0.165 4.156 4.320 0.002 0.000 0.220 207 A C 2.362 179.599 177.584 -0.578 0.000 1.171 207 A CA 1.661 53.250 52.037 -0.747 0.000 0.640 207 A CB -0.777 17.970 19.000 -0.422 0.000 0.811 207 A HN 0.380 nan 8.150 nan 0.000 0.451 208 L N -1.777 119.238 121.223 -0.347 0.000 2.217 208 L HA -0.093 4.249 4.340 0.002 0.000 0.211 208 L C 2.794 179.485 176.870 -0.298 0.000 1.107 208 L CA 0.888 55.525 54.840 -0.340 0.000 0.783 208 L CB -0.413 41.422 42.059 -0.374 0.000 0.919 208 L HN 0.366 nan 8.230 nan 0.000 0.442 209 R N 0.066 120.420 120.500 -0.244 0.000 2.055 209 R HA 0.009 4.350 4.340 0.002 0.000 0.226 209 R C 2.523 178.716 176.300 -0.178 0.000 1.135 209 R CA 1.109 57.104 56.100 -0.176 0.000 0.959 209 R CB -0.428 29.802 30.300 -0.116 0.000 0.854 209 R HN 0.265 nan 8.270 nan 0.000 0.431 210 A N 1.835 124.522 122.820 -0.222 0.000 1.849 210 A HA -0.121 4.200 4.320 0.002 0.000 0.217 210 A C 1.434 178.886 177.584 -0.220 0.000 1.202 210 A CA 1.176 53.097 52.037 -0.194 0.000 0.629 210 A CB -0.794 18.070 19.000 -0.227 0.000 0.834 210 A HN 0.203 nan 8.150 nan 0.000 0.447 211 L N 2.002 123.005 121.223 -0.366 0.000 2.437 211 L HA 0.150 4.491 4.340 0.002 0.000 0.243 211 L C 0.004 176.761 176.870 -0.189 0.000 1.346 211 L CA -0.168 54.521 54.840 -0.252 0.000 1.233 211 L CB -0.391 41.483 42.059 -0.309 0.000 1.436 211 L HN 0.339 nan 8.230 nan 0.000 0.416 212 S N 0.013 115.625 115.700 -0.146 0.000 2.955 212 S HA 0.646 5.118 4.470 0.002 0.000 0.294 212 S C 0.371 174.926 174.600 -0.075 0.000 1.198 212 S CA -0.778 57.350 58.200 -0.120 0.000 1.008 212 S CB 0.989 64.123 63.200 -0.111 0.000 1.279 212 S HN 0.423 nan 8.310 nan 0.000 0.508 213 A N 3.712 126.495 122.820 -0.062 0.000 2.286 213 A HA 0.706 5.027 4.320 0.002 0.000 0.286 213 A C -1.223 176.352 177.584 -0.015 0.000 1.097 213 A CA -2.019 50.000 52.037 -0.031 0.000 0.821 213 A CB -0.129 18.859 19.000 -0.020 0.000 1.076 213 A HN 0.492 nan 8.150 nan 0.000 0.490 214 P HA -0.139 nan 4.420 nan 0.000 0.217 214 P C 0.133 177.453 177.300 0.033 0.000 1.151 214 P CA 1.616 64.725 63.100 0.014 0.000 0.849 214 P CB 0.304 32.015 31.700 0.018 0.000 0.787 215 E N -0.805 119.413 120.200 0.029 0.000 2.281 215 E HA 0.363 4.715 4.350 0.002 0.000 0.266 215 E C -1.750 174.828 176.600 -0.037 0.000 0.893 215 E CA -0.554 55.865 56.400 0.032 0.000 0.798 215 E CB 1.462 31.201 29.700 0.065 0.000 1.245 215 E HN -0.343 nan 8.360 nan 0.000 0.410 216 V N 4.379 124.298 119.914 0.009 0.000 2.448 216 V HA 0.414 4.535 4.120 0.002 0.000 0.295 216 V C -0.374 175.730 176.094 0.017 0.000 1.025 216 V CA -0.825 61.462 62.300 -0.021 0.000 0.859 216 V CB 1.732 33.569 31.823 0.024 0.000 0.988 216 V HN 0.477 nan 8.190 nan 0.000 0.431 217 V N 6.063 125.864 119.914 -0.187 0.000 2.384 217 V HA 0.453 4.574 4.120 0.002 0.000 0.287 217 V C -0.381 175.746 176.094 0.056 0.000 1.020 217 V CA -0.517 61.704 62.300 -0.132 0.000 0.850 217 V CB 1.601 33.138 31.823 -0.477 0.000 0.987 217 V HN 0.693 nan 8.190 nan 0.000 0.436 218 L N 6.357 127.676 121.223 0.161 0.000 2.277 218 L HA 0.524 4.865 4.340 0.002 0.000 0.284 218 L C 0.118 176.965 176.870 -0.038 0.000 1.028 218 L CA -0.003 54.904 54.840 0.112 0.000 0.835 218 L CB 0.719 42.926 42.059 0.247 0.000 1.215 218 L HN 0.520 nan 8.230 nan 0.000 0.425 219 K N 5.012 125.340 120.400 -0.119 0.000 2.298 219 K HA 0.372 4.694 4.320 0.002 0.000 0.280 219 K C -0.375 176.072 176.600 -0.256 0.000 1.032 219 K CA -0.023 56.088 56.287 -0.294 0.000 0.958 219 K CB 0.670 32.928 32.500 -0.405 0.000 0.978 219 K HN 0.544 nan 8.250 nan 0.000 0.472 220 R N 2.254 122.576 120.500 -0.297 0.000 2.738 220 R HA 0.182 4.523 4.340 0.002 0.000 0.280 220 R C 0.410 176.584 176.300 -0.211 0.000 1.456 220 R CA -0.296 55.636 56.100 -0.282 0.000 1.612 220 R CB 0.934 30.975 30.300 -0.431 0.000 1.286 220 R HN 0.973 nan 8.270 nan 0.000 0.660 221 G N 1.570 110.264 108.800 -0.176 0.000 2.627 221 G HA2 -0.459 3.502 3.960 0.002 0.000 0.312 221 G HA3 -0.459 3.502 3.960 0.002 0.000 0.312 221 G C 0.830 175.660 174.900 -0.117 0.000 1.299 221 G CA 0.380 45.403 45.100 -0.129 0.000 0.989 221 G HN 0.522 nan 8.290 nan 0.000 0.547 222 A N -0.361 122.419 122.820 -0.067 0.000 2.238 222 A HA 0.283 4.604 4.320 0.002 0.000 0.208 222 A C 1.742 179.318 177.584 -0.014 0.000 1.177 222 A CA 1.650 53.674 52.037 -0.022 0.000 0.804 222 A CB -0.194 18.811 19.000 0.008 0.000 0.823 222 A HN 0.553 nan 8.150 nan 0.000 0.482 223 K N 0.564 120.926 120.400 -0.063 0.000 2.836 223 K HA 0.299 4.620 4.320 0.002 0.000 0.236 223 K C 1.210 177.761 176.600 -0.081 0.000 1.015 223 K CA 0.264 56.511 56.287 -0.067 0.000 1.194 223 K CB -0.534 31.894 32.500 -0.120 0.000 1.002 223 K HN 0.546 nan 8.250 nan 0.000 0.479 224 G N 1.432 110.209 108.800 -0.037 0.000 2.531 224 G HA2 -0.227 3.734 3.960 0.002 0.000 0.274 224 G HA3 -0.227 3.734 3.960 0.002 0.000 0.274 224 G C -0.452 174.384 174.900 -0.107 0.000 1.159 224 G CA -0.337 44.757 45.100 -0.010 0.000 0.969 224 G HN 0.666 nan 8.290 nan 0.000 0.554 225 A N -2.551 120.227 122.820 -0.070 0.000 2.581 225 A HA 0.550 4.871 4.320 0.002 0.000 0.294 225 A C -1.693 175.941 177.584 0.084 0.000 1.035 225 A CA 0.277 52.252 52.037 -0.103 0.000 0.684 225 A CB 0.521 19.517 19.000 -0.006 0.000 1.282 225 A HN 1.566 nan 8.150 nan 0.000 0.417 226 W N 0.552 121.821 121.300 -0.053 0.000 2.573 226 W HA 0.699 5.360 4.660 0.002 0.000 0.326 226 W C 0.147 176.485 176.519 -0.301 0.000 1.049 226 W CA -0.964 56.238 57.345 -0.237 0.000 1.220 226 W CB 1.927 31.163 29.460 -0.373 0.000 1.373 226 W HN 1.243 nan 8.180 nan 0.000 0.507 227 A N 3.914 126.649 122.820 -0.141 0.000 2.267 227 A HA 0.714 5.035 4.320 0.002 0.000 0.315 227 A C -1.511 175.902 177.584 -0.284 0.000 1.297 227 A CA -0.531 51.435 52.037 -0.117 0.000 0.865 227 A CB -0.132 18.898 19.000 0.050 0.000 1.165 227 A HN 0.363 nan 8.150 nan 0.000 0.513 228 F N 2.953 122.925 119.950 0.036 0.000 2.335 228 F HA 0.469 4.997 4.527 0.002 0.000 0.365 228 F C 0.004 175.806 175.800 0.002 0.000 1.122 228 F CA -0.249 57.756 58.000 0.007 0.000 1.151 228 F CB 1.349 40.347 39.000 -0.003 0.000 1.282 228 F HN 0.282 nan 8.300 nan 0.000 0.513 229 V N 0.856 120.844 119.914 0.123 0.000 2.686 229 V HA 0.352 4.473 4.120 0.002 0.000 0.306 229 V C -0.860 175.274 176.094 0.067 0.000 1.065 229 V CA -1.628 60.727 62.300 0.093 0.000 0.894 229 V CB 1.662 33.535 31.823 0.083 0.000 1.004 229 V HN 0.638 nan 8.190 nan 0.000 0.424 230 D N 3.325 123.759 120.400 0.056 0.000 2.812 230 D HA -0.087 4.555 4.640 0.002 0.000 0.237 230 D C 1.380 177.701 176.300 0.035 0.000 1.162 230 D CA 1.701 55.723 54.000 0.037 0.000 0.740 230 D CB -1.105 39.711 40.800 0.027 0.000 1.000 230 D HN 1.628 nan 8.370 nan 0.000 0.416 231 G N -0.242 108.586 108.800 0.046 0.000 2.216 231 G HA2 -0.456 3.505 3.960 0.002 0.000 0.269 231 G HA3 -0.456 3.505 3.960 0.002 0.000 0.269 231 G C 0.588 175.516 174.900 0.048 0.000 0.981 231 G CA 0.966 46.092 45.100 0.043 0.000 0.658 231 G HN 0.730 nan 8.290 nan 0.000 0.539 232 R N -0.046 120.478 120.500 0.041 0.000 2.500 232 R HA 0.657 4.998 4.340 0.002 0.000 0.277 232 R C 0.302 176.584 176.300 -0.029 0.000 1.026 232 R CA -0.807 55.294 56.100 0.001 0.000 1.058 232 R CB 0.500 30.796 30.300 -0.007 0.000 1.078 232 R HN 0.181 nan 8.270 nan 0.000 0.509 233 R N 3.772 124.188 120.500 -0.139 0.000 2.487 233 R HA 0.242 4.583 4.340 0.002 0.000 0.288 233 R C -1.529 174.561 176.300 -0.351 0.000 1.394 233 R CA -0.509 55.359 56.100 -0.387 0.000 1.155 233 R CB 1.029 31.030 30.300 -0.497 0.000 1.156 233 R HN 0.382 nan 8.270 nan 0.000 0.553 234 V N 3.151 122.918 119.914 -0.245 0.000 2.555 234 V HA 0.145 4.266 4.120 0.002 0.000 0.286 234 V C 0.465 176.515 176.094 -0.073 0.000 1.044 234 V CA -0.169 62.062 62.300 -0.116 0.000 1.026 234 V CB 1.269 33.078 31.823 -0.024 0.000 0.981 234 V HN 0.673 nan 8.190 nan 0.000 0.480 235 E N 2.971 123.173 120.200 0.004 0.000 2.216 235 E HA 0.574 4.925 4.350 0.002 0.000 0.279 235 E C 0.301 177.009 176.600 0.179 0.000 0.997 235 E CA -0.374 56.137 56.400 0.185 0.000 0.817 235 E CB 1.474 31.279 29.700 0.176 0.000 1.096 235 E HN 0.843 nan 8.360 nan 0.000 0.393 236 G N 1.688 110.619 108.800 0.219 0.000 2.477 236 G HA2 0.169 4.130 3.960 0.002 0.000 0.304 236 G HA3 0.169 4.130 3.960 0.002 0.000 0.304 236 G C -0.520 174.487 174.900 0.179 0.000 1.175 236 G CA -0.621 44.591 45.100 0.186 0.000 0.907 236 G HN 0.464 nan 8.290 nan 0.000 0.509 237 S N -0.355 115.466 115.700 0.203 0.000 2.498 237 S HA 0.459 4.930 4.470 0.002 0.000 0.281 237 S C 0.732 175.524 174.600 0.321 0.000 1.265 237 S CA -0.150 58.206 58.200 0.260 0.000 1.071 237 S CB -0.207 63.212 63.200 0.364 0.000 0.894 237 S HN 1.033 nan 8.310 nan 0.000 0.491 238 A N 5.216 128.188 122.820 0.253 0.000 2.388 238 A HA 0.630 4.951 4.320 0.002 0.000 0.257 238 A C -0.494 177.326 177.584 0.392 0.000 1.095 238 A CA -0.356 51.824 52.037 0.237 0.000 0.791 238 A CB 0.100 19.172 19.000 0.120 0.000 1.029 238 A HN 0.840 nan 8.150 nan 0.000 0.489 239 F N 0.606 120.563 119.950 0.011 0.000 2.508 239 F HA 0.527 5.055 4.527 0.002 0.000 0.325 239 F C 0.794 176.595 175.800 0.002 0.000 1.090 239 F CA -0.528 57.479 58.000 0.012 0.000 0.945 239 F CB 2.332 41.343 39.000 0.018 0.000 1.156 239 F HN 0.606 nan 8.300 nan 0.000 0.463 240 A N 3.858 126.702 122.820 0.041 0.000 3.264 240 A HA 0.506 4.828 4.320 0.002 0.000 0.299 240 A C -0.980 176.622 177.584 0.030 0.000 1.272 240 A CA -0.288 51.761 52.037 0.019 0.000 1.030 240 A CB -0.139 18.842 19.000 -0.031 0.000 1.102 240 A HN 0.463 nan 8.150 nan 0.000 0.615 241 V N 0.926 120.893 119.914 0.088 0.000 2.628 241 V HA 0.448 4.569 4.120 0.002 0.000 0.306 241 V C -0.271 175.855 176.094 0.054 0.000 1.045 241 V CA -0.851 61.495 62.300 0.076 0.000 0.905 241 V CB 1.878 33.781 31.823 0.133 0.000 0.997 241 V HN 0.797 nan 8.190 nan 0.000 0.436 242 E N 5.517 125.736 120.200 0.031 0.000 2.289 242 E HA 0.640 4.991 4.350 0.002 0.000 0.278 242 E C -0.056 176.547 176.600 0.004 0.000 1.032 242 E CA -0.431 55.978 56.400 0.016 0.000 0.854 242 E CB 1.497 31.204 29.700 0.012 0.000 1.046 242 E HN 0.880 nan 8.360 nan 0.000 0.409 243 A N 3.657 126.472 122.820 -0.009 0.000 2.492 243 A HA 0.148 4.469 4.320 0.002 0.000 0.254 243 A C 0.767 178.320 177.584 -0.052 0.000 1.091 243 A CA -0.538 51.478 52.037 -0.035 0.000 0.768 243 A CB 0.603 19.576 19.000 -0.046 0.000 1.028 243 A HN 0.631 nan 8.150 nan 0.000 0.498 244 V N 1.795 121.664 119.914 -0.076 0.000 2.436 244 V HA 0.065 4.186 4.120 0.002 0.000 0.240 244 V C 0.652 176.618 176.094 -0.212 0.000 1.040 244 V CA 1.968 64.208 62.300 -0.100 0.000 1.052 244 V CB -0.242 31.533 31.823 -0.080 0.000 0.707 244 V HN 0.971 nan 8.190 nan 0.000 0.469 245 D N -0.497 119.770 120.400 -0.222 0.000 2.381 245 D HA 0.243 4.884 4.640 0.002 0.000 0.245 245 D C -1.859 174.321 176.300 -0.199 0.000 1.297 245 D CA -1.199 52.616 54.000 -0.308 0.000 0.931 245 D CB 1.653 42.246 40.800 -0.345 0.000 1.334 245 D HN 0.080 nan 8.370 nan 0.000 0.535 246 P HA -0.136 nan 4.420 nan 0.000 0.222 246 P C 1.599 178.845 177.300 -0.091 0.000 1.147 246 P CA 0.249 63.286 63.100 -0.106 0.000 0.790 246 P CB 0.478 32.127 31.700 -0.086 0.000 0.780 247 V N 1.409 121.265 119.914 -0.097 0.000 2.233 247 V HA -0.267 3.855 4.120 0.002 0.000 0.256 247 V C 2.567 178.637 176.094 -0.040 0.000 1.069 247 V CA 2.751 65.017 62.300 -0.056 0.000 1.054 247 V CB -1.816 29.984 31.823 -0.037 0.000 0.664 247 V HN 0.287 nan 8.190 nan 0.000 0.453 248 G N -2.093 106.674 108.800 -0.054 0.000 3.233 248 G HA2 0.293 4.254 3.960 0.002 0.000 0.227 248 G HA3 0.293 4.254 3.960 0.002 0.000 0.227 248 G C 1.413 176.291 174.900 -0.037 0.000 1.175 248 G CA 0.685 45.765 45.100 -0.033 0.000 0.781 248 G HN 0.662 nan 8.290 nan 0.000 0.542 249 A N 0.927 123.718 122.820 -0.048 0.000 1.902 249 A HA 0.102 4.423 4.320 0.002 0.000 0.217 249 A C 2.615 180.192 177.584 -0.012 0.000 1.181 249 A CA 1.998 54.011 52.037 -0.040 0.000 0.623 249 A CB -0.766 18.199 19.000 -0.058 0.000 0.818 249 A HN 0.450 nan 8.150 nan 0.000 0.443 250 G N -0.215 108.571 108.800 -0.024 0.000 2.422 250 G HA2 -0.226 3.735 3.960 0.002 0.000 0.218 250 G HA3 -0.226 3.735 3.960 0.002 0.000 0.218 250 G C 1.068 175.982 174.900 0.023 0.000 1.146 250 G CA 1.243 46.341 45.100 -0.004 0.000 0.769 250 G HN 0.485 nan 8.290 nan 0.000 0.547 251 D N 0.968 121.355 120.400 -0.021 0.000 2.149 251 D HA 0.037 4.678 4.640 0.002 0.000 0.201 251 D C 2.759 178.984 176.300 -0.125 0.000 0.972 251 D CA 1.077 55.032 54.000 -0.076 0.000 0.835 251 D CB -0.435 40.339 40.800 -0.043 0.000 0.966 251 D HN 0.312 nan 8.370 nan 0.000 0.476 252 A N 0.311 123.089 122.820 -0.070 0.000 1.930 252 A HA -0.129 4.193 4.320 0.002 0.000 0.217 252 A C 2.040 179.568 177.584 -0.093 0.000 1.175 252 A CA 0.775 52.758 52.037 -0.091 0.000 0.627 252 A CB -0.883 18.083 19.000 -0.058 0.000 0.815 252 A HN 0.237 nan 8.150 nan 0.000 0.443 253 F N 1.060 120.906 119.950 -0.174 0.000 2.075 253 F HA -0.061 4.468 4.527 0.002 0.000 0.297 253 F C 2.533 178.214 175.800 -0.199 0.000 1.113 253 F CA 1.422 59.333 58.000 -0.148 0.000 1.218 253 F CB -0.546 38.386 39.000 -0.113 0.000 0.984 253 F HN 0.240 nan 8.300 nan 0.000 0.472 254 A N 0.585 123.191 122.820 -0.357 0.000 1.908 254 A HA -0.114 4.207 4.320 0.002 0.000 0.218 254 A C 2.414 179.591 177.584 -0.678 0.000 1.181 254 A CA 2.020 53.480 52.037 -0.961 0.000 0.627 254 A CB -1.668 16.556 19.000 -1.292 0.000 0.818 254 A HN 0.570 nan 8.150 nan 0.000 0.445 255 A N -0.548 121.966 122.820 -0.510 0.000 1.908 255 A HA 0.070 4.391 4.320 0.002 0.000 0.218 255 A C 2.422 179.774 177.584 -0.387 0.000 1.181 255 A CA 2.069 53.847 52.037 -0.432 0.000 0.627 255 A CB -1.403 17.399 19.000 -0.331 0.000 0.818 255 A HN 0.772 nan 8.150 nan 0.000 0.445 256 G N -2.241 106.353 108.800 -0.343 0.000 2.408 256 G HA2 -0.231 3.731 3.960 0.002 0.000 0.217 256 G HA3 -0.231 3.731 3.960 0.002 0.000 0.217 256 G C 1.545 176.247 174.900 -0.331 0.000 1.150 256 G CA 1.162 46.074 45.100 -0.313 0.000 0.776 256 G HN 0.558 nan 8.290 nan 0.000 0.542 257 Y N 0.863 120.899 120.300 -0.440 0.000 2.242 257 Y HA 0.033 4.585 4.550 0.002 0.000 0.291 257 Y C 2.586 178.314 175.900 -0.287 0.000 1.137 257 Y CA 1.174 59.089 58.100 -0.308 0.000 1.181 257 Y CB -0.075 38.296 38.460 -0.147 0.000 0.989 257 Y HN 0.096 nan 8.280 nan 0.000 0.527 258 L N -0.931 120.136 121.223 -0.259 0.000 2.027 258 L HA -0.206 4.136 4.340 0.002 0.000 0.206 258 L C 2.741 179.245 176.870 -0.611 0.000 1.074 258 L CA 1.099 55.644 54.840 -0.492 0.000 0.745 258 L CB -0.918 40.828 42.059 -0.523 0.000 0.898 258 L HN 0.294 nan 8.230 nan 0.000 0.433 259 A N 0.287 122.723 122.820 -0.640 0.000 1.908 259 A HA -0.163 4.159 4.320 0.002 0.000 0.218 259 A C 2.378 179.365 177.584 -0.994 0.000 1.181 259 A CA 1.833 53.275 52.037 -0.991 0.000 0.627 259 A CB -1.306 17.081 19.000 -1.021 0.000 0.818 259 A HN 0.458 nan 8.150 nan 0.000 0.445 260 G N -0.618 107.834 108.800 -0.579 0.000 2.418 260 G HA2 -0.008 3.953 3.960 0.002 0.000 0.217 260 G HA3 -0.008 3.953 3.960 0.002 0.000 0.217 260 G C 1.737 176.478 174.900 -0.265 0.000 1.158 260 G CA 1.577 46.494 45.100 -0.305 0.000 0.771 260 G HN 0.798 nan 8.290 nan 0.000 0.545 261 A N 0.272 122.860 122.820 -0.388 0.000 1.841 261 A HA 0.074 4.395 4.320 0.002 0.000 0.214 261 A C 2.572 180.125 177.584 -0.051 0.000 1.195 261 A CA 1.828 53.741 52.037 -0.207 0.000 0.611 261 A CB -0.851 18.003 19.000 -0.245 0.000 0.835 261 A HN 0.289 nan 8.150 nan 0.000 0.443 262 V N -1.630 118.178 119.914 -0.176 0.000 2.453 262 V HA -0.263 3.858 4.120 0.002 0.000 0.252 262 V C 2.054 178.182 176.094 0.057 0.000 1.068 262 V CA 1.581 63.852 62.300 -0.048 0.000 1.070 262 V CB -0.927 30.747 31.823 -0.248 0.000 0.664 262 V HN 0.783 nan 8.190 nan 0.000 0.461 263 W N -0.186 121.100 121.300 -0.024 0.000 3.256 263 W HA 0.457 5.118 4.660 0.002 0.000 0.269 263 W C 1.654 178.160 176.519 -0.022 0.000 1.310 263 W CA 0.280 57.610 57.345 -0.025 0.000 1.673 263 W CB -1.001 28.430 29.460 -0.047 0.000 1.115 263 W HN 0.430 nan 8.180 nan 0.000 0.686 264 G N 1.827 110.729 108.800 0.169 0.000 2.314 264 G HA2 -0.286 3.675 3.960 0.002 0.000 0.292 264 G HA3 -0.286 3.675 3.960 0.002 0.000 0.292 264 G C -0.200 174.744 174.900 0.074 0.000 1.059 264 G CA -0.121 45.039 45.100 0.100 0.000 0.982 264 G HN 0.158 nan 8.290 nan 0.000 0.505 265 L N -0.313 120.941 121.223 0.052 0.000 2.360 265 L HA 0.494 4.835 4.340 0.002 0.000 0.271 265 L C -1.699 175.160 176.870 -0.018 0.000 1.057 265 L CA -2.505 52.351 54.840 0.027 0.000 0.803 265 L CB 1.336 43.419 42.059 0.040 0.000 1.207 265 L HN -0.063 nan 8.230 nan 0.000 0.445 266 P HA -0.004 nan 4.420 nan 0.000 0.269 266 P C 0.916 178.199 177.300 -0.028 0.000 1.215 266 P CA -0.323 62.772 63.100 -0.008 0.000 0.780 266 P CB 0.649 32.352 31.700 0.004 0.000 0.898 267 V N 1.762 121.671 119.914 -0.009 0.000 2.439 267 V HA -0.287 3.834 4.120 0.002 0.000 0.253 267 V C 1.874 177.989 176.094 0.036 0.000 1.074 267 V CA 2.017 64.327 62.300 0.017 0.000 1.076 267 V CB -1.195 30.671 31.823 0.071 0.000 0.664 267 V HN 0.583 nan 8.190 nan 0.000 0.461 268 E N 0.298 120.516 120.200 0.030 0.000 2.077 268 E HA -0.192 4.160 4.350 0.002 0.000 0.193 268 E C 2.217 178.839 176.600 0.038 0.000 0.989 268 E CA 1.481 57.908 56.400 0.044 0.000 0.800 268 E CB -0.280 29.442 29.700 0.036 0.000 0.746 268 E HN 0.731 nan 8.360 nan 0.000 0.452 269 E N 0.223 120.427 120.200 0.008 0.000 2.112 269 E HA -0.047 4.304 4.350 0.002 0.000 0.190 269 E C 2.123 178.695 176.600 -0.047 0.000 0.979 269 E CA 0.438 56.839 56.400 0.002 0.000 0.814 269 E CB -0.073 29.631 29.700 0.007 0.000 0.762 269 E HN 0.145 nan 8.360 nan 0.000 0.460 270 R N 0.687 121.101 120.500 -0.143 0.000 2.081 270 R HA -0.093 4.248 4.340 0.002 0.000 0.235 270 R C 2.423 178.643 176.300 -0.134 0.000 1.131 270 R CA 1.011 56.897 56.100 -0.357 0.000 0.960 270 R CB -0.304 29.433 30.300 -0.938 0.000 0.856 270 R HN 0.157 nan 8.270 nan 0.000 0.436 271 L N 0.018 121.278 121.223 0.061 0.000 2.056 271 L HA -0.125 4.216 4.340 0.002 0.000 0.207 271 L C 2.811 179.731 176.870 0.083 0.000 1.078 271 L CA 1.101 56.041 54.840 0.166 0.000 0.749 271 L CB -0.376 41.811 42.059 0.214 0.000 0.901 271 L HN 0.163 nan 8.230 nan 0.000 0.433 272 R N 0.121 120.659 120.500 0.063 0.000 2.081 272 R HA -0.193 4.149 4.340 0.002 0.000 0.235 272 R C 2.269 178.581 176.300 0.019 0.000 1.131 272 R CA 1.510 57.652 56.100 0.071 0.000 0.960 272 R CB -0.303 30.045 30.300 0.081 0.000 0.856 272 R HN 0.201 nan 8.270 nan 0.000 0.436 273 L N 0.535 121.748 121.223 -0.017 0.000 2.109 273 L HA -0.012 4.329 4.340 0.002 0.000 0.207 273 L C 2.217 179.013 176.870 -0.123 0.000 1.086 273 L CA 1.927 56.738 54.840 -0.047 0.000 0.760 273 L CB -0.620 41.406 42.059 -0.054 0.000 0.910 273 L HN 0.154 nan 8.230 nan 0.000 0.437 274 A N -0.501 122.204 122.820 -0.191 0.000 1.873 274 A HA -0.228 4.094 4.320 0.002 0.000 0.215 274 A C 2.107 179.596 177.584 -0.158 0.000 1.186 274 A CA 2.005 53.799 52.037 -0.406 0.000 0.616 274 A CB -0.910 17.553 19.000 -0.896 0.000 0.823 274 A HN 0.654 nan 8.150 nan 0.000 0.442 275 N N -0.652 118.027 118.700 -0.035 0.000 2.244 275 N HA -0.098 4.643 4.740 0.002 0.000 0.183 275 N C 1.662 176.946 175.510 -0.376 0.000 1.016 275 N CA 1.036 54.000 53.050 -0.143 0.000 0.866 275 N CB -0.172 38.133 38.487 -0.304 0.000 0.980 275 N HN 0.416 nan 8.380 nan 0.000 0.430 276 L N 1.132 122.224 121.223 -0.218 0.000 2.027 276 L HA -0.093 4.248 4.340 0.002 0.000 0.206 276 L C 1.959 178.779 176.870 -0.083 0.000 1.074 276 L CA 1.253 56.023 54.840 -0.116 0.000 0.745 276 L CB -0.290 41.766 42.059 -0.004 0.000 0.898 276 L HN 0.186 nan 8.230 nan 0.000 0.433 277 L N -0.746 120.427 121.223 -0.083 0.000 2.017 277 L HA -0.151 4.190 4.340 0.002 0.000 0.208 277 L C 2.561 179.396 176.870 -0.060 0.000 1.073 277 L CA 1.849 56.642 54.840 -0.078 0.000 0.745 277 L CB -1.940 40.049 42.059 -0.116 0.000 0.894 277 L HN 0.489 nan 8.230 nan 0.000 0.432 278 G N -0.476 108.306 108.800 -0.030 0.000 2.442 278 G HA2 -0.232 3.729 3.960 0.002 0.000 0.219 278 G HA3 -0.232 3.729 3.960 0.002 0.000 0.219 278 G C 1.750 176.618 174.900 -0.052 0.000 1.141 278 G CA 0.948 46.047 45.100 -0.002 0.000 0.763 278 G HN 0.495 nan 8.290 nan 0.000 0.554 279 A N 0.337 123.101 122.820 -0.093 0.000 1.897 279 A HA 0.081 4.402 4.320 0.002 0.000 0.215 279 A C 2.605 180.189 177.584 -0.000 0.000 1.181 279 A CA 2.066 54.078 52.037 -0.043 0.000 0.620 279 A CB -0.758 18.226 19.000 -0.027 0.000 0.821 279 A HN 0.377 nan 8.150 nan 0.000 0.443 280 S N -0.735 114.962 115.700 -0.006 0.000 2.399 280 S HA -0.107 4.364 4.470 0.002 0.000 0.231 280 S C 1.830 176.413 174.600 -0.027 0.000 1.022 280 S CA 1.579 59.779 58.200 -0.001 0.000 0.983 280 S CB -0.330 62.868 63.200 -0.003 0.000 0.803 280 S HN 0.275 nan 8.310 nan 0.000 0.480 281 V N 1.477 121.364 119.914 -0.045 0.000 2.446 281 V HA 0.048 4.169 4.120 0.002 0.000 0.244 281 V C 2.729 178.776 176.094 -0.077 0.000 1.039 281 V CA 1.402 63.662 62.300 -0.066 0.000 1.045 281 V CB -1.035 30.750 31.823 -0.063 0.000 0.681 281 V HN 0.555 nan 8.190 nan 0.000 0.459 282 A N 0.122 122.905 122.820 -0.061 0.000 1.972 282 A HA -0.062 4.259 4.320 0.002 0.000 0.219 282 A C 2.193 179.739 177.584 -0.063 0.000 1.169 282 A CA 1.828 53.825 52.037 -0.066 0.000 0.635 282 A CB -0.522 18.450 19.000 -0.047 0.000 0.810 282 A HN 0.573 nan 8.150 nan 0.000 0.446 283 A N -0.998 121.799 122.820 -0.038 0.000 2.238 283 A HA 0.439 4.760 4.320 0.002 0.000 0.208 283 A C 0.941 178.499 177.584 -0.044 0.000 1.177 283 A CA 0.622 52.643 52.037 -0.026 0.000 0.804 283 A CB -0.158 18.846 19.000 0.007 0.000 0.823 283 A HN 0.333 nan 8.150 nan 0.000 0.482 284 S N -1.057 114.598 115.700 -0.075 0.000 2.638 284 S HA 0.561 5.032 4.470 0.002 0.000 0.302 284 S C -0.055 174.447 174.600 -0.164 0.000 1.096 284 S CA -0.745 57.398 58.200 -0.095 0.000 0.953 284 S CB 1.620 64.768 63.200 -0.087 0.000 1.107 284 S HN 0.506 nan 8.310 nan 0.000 0.503 285 R N 0.090 120.482 120.500 -0.181 0.000 2.543 285 R HA 0.608 4.950 4.340 0.002 0.000 0.268 285 R C 0.527 176.479 176.300 -0.579 0.000 1.067 285 R CA 0.832 56.762 56.100 -0.284 0.000 1.142 285 R CB 0.584 30.809 30.300 -0.125 0.000 1.110 285 R HN 1.013 nan 8.270 nan 0.000 0.549 286 G N 1.647 109.890 108.800 -0.930 0.000 2.712 286 G HA2 -0.204 3.758 3.960 0.002 0.000 0.683 286 G HA3 -0.204 3.758 3.960 0.002 0.000 0.683 286 G C -0.477 174.054 174.900 -0.615 0.000 1.320 286 G CA -0.215 44.057 45.100 -1.380 0.000 0.847 286 G HN 0.651 nan 8.290 nan 0.000 0.553 287 D N -0.430 119.684 120.400 -0.476 0.000 2.120 287 D HA 0.083 4.724 4.640 0.002 0.000 0.202 287 D C 1.853 178.057 176.300 -0.159 0.000 0.972 287 D CA 1.969 55.843 54.000 -0.209 0.000 0.837 287 D CB -0.056 40.714 40.800 -0.050 0.000 0.989 287 D HN 0.733 nan 8.370 nan 0.000 0.469 288 H N -1.742 117.245 119.070 -0.138 0.000 3.078 288 H HA 0.265 4.822 4.556 0.002 0.000 0.263 288 H C -0.455 174.793 175.328 -0.133 0.000 1.177 288 H CA -0.317 55.654 56.048 -0.127 0.000 1.128 288 H CB 0.335 30.029 29.762 -0.114 0.000 1.623 288 H HN -0.105 nan 8.280 nan 0.000 0.592 289 E N 1.535 121.556 120.200 -0.298 0.000 2.384 289 E HA 0.251 4.602 4.350 0.002 0.000 0.266 289 E C 1.091 177.626 176.600 -0.108 0.000 1.012 289 E CA 1.012 57.312 56.400 -0.168 0.000 0.901 289 E CB 1.232 30.795 29.700 -0.228 0.000 0.967 289 E HN 0.704 nan 8.360 nan 0.000 0.435 290 G N 1.586 110.356 108.800 -0.049 0.000 2.259 290 G HA2 -0.249 3.713 3.960 0.002 0.000 0.217 290 G HA3 -0.249 3.713 3.960 0.002 0.000 0.217 290 G C 0.468 175.335 174.900 -0.055 0.000 1.001 290 G CA -0.075 44.999 45.100 -0.042 0.000 0.627 290 G HN 0.801 nan 8.290 nan 0.000 0.501 291 A N 2.686 125.455 122.820 -0.084 0.000 2.524 291 A HA 0.582 4.903 4.320 0.002 0.000 0.250 291 A C -0.896 176.556 177.584 -0.220 0.000 1.078 291 A CA 0.011 51.968 52.037 -0.133 0.000 0.761 291 A CB 0.035 18.948 19.000 -0.144 0.000 1.012 291 A HN 0.355 nan 8.150 nan 0.000 0.500 292 P HA 0.177 nan 4.420 nan 0.000 0.272 292 P C -1.001 176.157 177.300 -0.236 0.000 1.230 292 P CA 0.214 63.243 63.100 -0.119 0.000 0.788 292 P CB 0.392 32.088 31.700 -0.007 0.000 0.949 293 Y N -0.277 120.040 120.300 0.028 0.000 2.376 293 Y HA 0.321 4.873 4.550 0.002 0.000 0.325 293 Y C 2.340 178.268 175.900 0.047 0.000 1.199 293 Y CA -0.425 57.695 58.100 0.033 0.000 1.206 293 Y CB 0.913 39.389 38.460 0.026 0.000 1.229 293 Y HN 0.344 nan 8.280 nan 0.000 0.480 294 R N 1.464 122.094 120.500 0.216 0.000 2.096 294 R HA -0.230 4.111 4.340 0.002 0.000 0.240 294 R C 1.659 178.024 176.300 0.108 0.000 1.139 294 R CA 2.343 58.536 56.100 0.155 0.000 0.952 294 R CB -0.180 30.205 30.300 0.141 0.000 0.854 294 R HN 0.978 nan 8.270 nan 0.000 0.436 295 E N -0.267 120.001 120.200 0.113 0.000 2.333 295 E HA -0.217 4.134 4.350 0.002 0.000 0.200 295 E C 0.722 177.360 176.600 0.065 0.000 1.010 295 E CA 1.418 57.856 56.400 0.063 0.000 0.841 295 E CB -0.140 29.584 29.700 0.040 0.000 0.757 295 E HN 0.444 nan 8.360 nan 0.000 0.508 296 D N 1.050 121.511 120.400 0.103 0.000 2.183 296 D HA 0.024 4.665 4.640 0.002 0.000 0.205 296 D C 2.154 178.494 176.300 0.067 0.000 0.962 296 D CA 0.605 54.659 54.000 0.090 0.000 0.849 296 D CB -0.039 40.834 40.800 0.122 0.000 0.978 296 D HN 0.251 nan 8.370 nan 0.000 0.488 297 L N 0.866 122.131 121.223 0.069 0.000 2.217 297 L HA -0.035 4.306 4.340 0.002 0.000 0.211 297 L C 2.133 179.015 176.870 0.020 0.000 1.107 297 L CA 0.761 55.633 54.840 0.053 0.000 0.783 297 L CB -0.280 41.823 42.059 0.073 0.000 0.919 297 L HN -0.014 nan 8.230 nan 0.000 0.442 298 E N 0.413 120.619 120.200 0.011 0.000 2.028 298 E HA -0.186 4.165 4.350 0.002 0.000 0.191 298 E C 2.264 178.862 176.600 -0.002 0.000 0.988 298 E CA 1.683 58.075 56.400 -0.012 0.000 0.799 298 E CB -0.226 29.466 29.700 -0.013 0.000 0.755 298 E HN 0.465 nan 8.360 nan 0.000 0.447 299 V N 0.092 120.013 119.914 0.011 0.000 2.307 299 V HA -0.163 3.958 4.120 0.002 0.000 0.245 299 V C 2.264 178.368 176.094 0.016 0.000 1.045 299 V CA 1.295 63.603 62.300 0.012 0.000 1.024 299 V CB -0.659 31.175 31.823 0.018 0.000 0.651 299 V HN 0.119 nan 8.190 nan 0.000 0.449 300 L N -0.909 120.329 121.223 0.026 0.000 2.549 300 L HA 0.087 4.428 4.340 0.002 0.000 0.229 300 L C 1.967 178.851 176.870 0.024 0.000 1.158 300 L CA 1.507 56.365 54.840 0.031 0.000 0.842 300 L CB -0.373 41.714 42.059 0.046 0.000 0.952 300 L HN 0.368 nan 8.230 nan 0.000 0.452 301 L N -0.424 120.806 121.223 0.013 0.000 2.262 301 L HA 0.369 4.710 4.340 0.002 0.000 0.197 301 L C 1.125 177.994 176.870 -0.002 0.000 1.073 301 L CA 1.550 56.392 54.840 0.004 0.000 0.800 301 L CB -0.337 41.715 42.059 -0.011 0.000 0.987 301 L HN 0.148 nan 8.230 nan 0.000 0.470 302 K N 0.000 120.397 120.400 -0.005 0.000 2.780 302 K HA 0.000 4.321 4.320 0.002 0.000 0.191 302 K CA 0.000 nan 56.287 nan 0.000 0.838 302 K CB 0.000 nan 32.500 nan 0.000 1.064 302 K HN 0.000 nan 8.250 nan 0.000 0.543