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 2xe5_1_D DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.712 177.584 0.214 0.000 1.274 1 A CA 0.000 52.184 52.037 0.246 0.000 0.836 1 A CB 0.000 19.183 19.000 0.306 0.000 0.831 2 E N 1.937 122.227 120.200 0.150 0.000 2.166 2 E HA 0.362 4.715 4.350 0.004 0.000 0.279 2 E C 0.634 177.314 176.600 0.133 0.000 1.095 2 E CA 0.032 56.513 56.400 0.135 0.000 0.888 2 E CB 0.119 29.873 29.700 0.090 0.000 1.041 2 E HN 0.656 nan 8.360 nan 0.000 0.414 3 I N 2.325 122.993 120.570 0.163 0.000 4.018 3 I HA 0.329 4.502 4.170 0.004 0.000 0.337 3 I C -0.662 175.581 176.117 0.211 0.000 1.327 3 I CA -0.462 60.931 61.300 0.155 0.000 1.100 3 I CB 0.374 38.462 38.000 0.147 0.000 1.025 3 I HN 0.336 nan 8.210 nan 0.000 0.396 4 Y N 1.719 122.044 120.300 0.042 0.000 2.390 4 Y HA 0.550 5.103 4.550 0.004 0.000 0.324 4 Y C -1.836 174.082 175.900 0.030 0.000 1.151 4 Y CA -1.136 56.980 58.100 0.026 0.000 1.053 4 Y CB 1.316 39.783 38.460 0.012 0.000 1.277 4 Y HN 0.110 nan 8.280 nan 0.000 0.432 5 N N 5.568 123.994 118.700 -0.457 0.000 2.655 5 N HA 0.323 5.065 4.740 0.004 0.000 0.277 5 N C -2.154 173.093 175.510 -0.439 0.000 1.177 5 N CA -0.408 52.457 53.050 -0.308 0.000 0.882 5 N CB 1.444 39.861 38.487 -0.117 0.000 1.481 5 N HN 0.784 nan 8.380 nan 0.000 0.547 6 K N 2.130 122.266 120.400 -0.440 0.000 2.583 6 K HA 0.221 4.543 4.320 0.004 0.000 0.260 6 K C -1.267 175.268 176.600 -0.109 0.000 0.931 6 K CA -0.363 55.722 56.287 -0.336 0.000 0.849 6 K CB 0.761 32.917 32.500 -0.573 0.000 1.347 6 K HN 0.313 nan 8.250 nan 0.000 0.425 7 D N 2.946 123.317 120.400 -0.049 0.000 2.692 7 D HA -0.210 4.432 4.640 0.004 0.000 0.233 7 D C 0.683 177.004 176.300 0.037 0.000 1.172 7 D CA 2.254 56.259 54.000 0.008 0.000 0.636 7 D CB -1.067 39.754 40.800 0.035 0.000 1.028 7 D HN 1.064 nan 8.370 nan 0.000 0.419 8 G N -0.621 108.196 108.800 0.027 0.000 2.176 8 G HA2 -0.362 3.601 3.960 0.004 0.000 0.253 8 G HA3 -0.362 3.601 3.960 0.004 0.000 0.253 8 G C 0.194 175.140 174.900 0.078 0.000 0.979 8 G CA 0.356 45.485 45.100 0.049 0.000 0.641 8 G HN 0.643 nan 8.290 nan 0.000 0.530 9 N N 0.384 119.148 118.700 0.106 0.000 2.269 9 N HA 0.643 5.385 4.740 0.004 0.000 0.304 9 N C -0.422 175.196 175.510 0.180 0.000 1.072 9 N CA -0.476 52.673 53.050 0.165 0.000 0.802 9 N CB 1.054 39.678 38.487 0.227 0.000 1.348 9 N HN 0.579 nan 8.380 nan 0.000 0.484 10 K N 1.439 121.946 120.400 0.178 0.000 2.435 10 K HA 0.715 5.038 4.320 0.004 0.000 0.251 10 K C -1.821 174.907 176.600 0.212 0.000 0.954 10 K CA -0.958 55.440 56.287 0.186 0.000 0.820 10 K CB 1.948 34.508 32.500 0.099 0.000 1.292 10 K HN 0.334 nan 8.250 nan 0.000 0.436 11 L N 1.662 123.024 121.223 0.232 0.000 2.470 11 L HA 0.395 4.737 4.340 0.004 0.000 0.268 11 L C -1.909 175.087 176.870 0.210 0.000 0.964 11 L CA -0.183 54.777 54.840 0.201 0.000 0.839 11 L CB 1.957 44.096 42.059 0.133 0.000 1.276 11 L HN 0.849 nan 8.230 nan 0.000 0.403 12 D N 4.455 125.001 120.400 0.244 0.000 2.349 12 D HA 0.298 4.940 4.640 0.004 0.000 0.232 12 D C -1.277 175.236 176.300 0.355 0.000 1.071 12 D CA -0.259 53.903 54.000 0.269 0.000 0.832 12 D CB 1.424 42.364 40.800 0.235 0.000 1.086 12 D HN 0.493 nan 8.370 nan 0.000 0.504 13 L N 6.630 128.046 121.223 0.321 0.000 2.257 13 L HA 0.405 4.748 4.340 0.004 0.000 0.290 13 L C -1.339 175.751 176.870 0.366 0.000 1.044 13 L CA -0.427 54.608 54.840 0.325 0.000 0.810 13 L CB 0.172 42.413 42.059 0.304 0.000 1.193 13 L HN 0.334 nan 8.230 nan 0.000 0.425 14 Y N 2.990 123.337 120.300 0.078 0.000 2.602 14 Y HA 1.023 5.576 4.550 0.004 0.000 0.342 14 Y C -0.058 175.461 175.900 -0.636 0.000 1.029 14 Y CA -0.757 57.137 58.100 -0.342 0.000 1.080 14 Y CB 1.680 40.010 38.460 -0.216 0.000 1.284 14 Y HN 0.796 nan 8.280 nan 0.000 0.485 15 G N 1.023 109.212 108.800 -1.017 0.000 2.338 15 G HA2 0.507 4.470 3.960 0.004 0.000 0.295 15 G HA3 0.507 4.470 3.960 0.004 0.000 0.295 15 G C -2.342 172.239 174.900 -0.531 0.000 1.461 15 G CA -1.070 43.595 45.100 -0.725 0.000 0.817 15 G HN 1.054 nan 8.290 nan 0.000 0.556 16 K N -1.473 118.841 120.400 -0.144 0.000 2.556 16 K HA 0.768 5.090 4.320 0.004 0.000 0.274 16 K C -1.665 174.941 176.600 0.011 0.000 0.966 16 K CA -1.026 55.241 56.287 -0.034 0.000 0.865 16 K CB 2.280 34.734 32.500 -0.076 0.000 1.444 16 K HN 0.588 nan 8.250 nan 0.000 0.433 17 V N 0.898 120.846 119.914 0.056 0.000 2.444 17 V HA 0.359 4.482 4.120 0.004 0.000 0.294 17 V C -0.880 175.146 176.094 -0.113 0.000 1.022 17 V CA -0.599 61.681 62.300 -0.034 0.000 0.850 17 V CB 1.230 33.088 31.823 0.059 0.000 0.992 17 V HN 0.908 nan 8.190 nan 0.000 0.426 18 E N 3.239 123.244 120.200 -0.325 0.000 2.101 18 E HA 0.543 4.895 4.350 0.004 0.000 0.260 18 E C 0.363 176.832 176.600 -0.219 0.000 0.897 18 E CA -0.422 55.787 56.400 -0.319 0.000 0.744 18 E CB 1.190 30.517 29.700 -0.621 0.000 1.140 18 E HN 0.892 nan 8.360 nan 0.000 0.419 19 G N 4.221 112.956 108.800 -0.109 0.000 2.372 19 G HA2 0.379 4.341 3.960 0.004 0.000 0.286 19 G HA3 0.379 4.341 3.960 0.004 0.000 0.286 19 G C -0.962 173.904 174.900 -0.057 0.000 1.153 19 G CA -0.160 44.902 45.100 -0.063 0.000 0.985 19 G HN 0.388 nan 8.290 nan 0.000 0.429 20 L N 2.507 123.723 121.223 -0.012 0.000 2.436 20 L HA 0.653 4.995 4.340 0.004 0.000 0.268 20 L C -1.159 175.755 176.870 0.073 0.000 0.974 20 L CA -1.110 53.752 54.840 0.038 0.000 0.826 20 L CB 2.262 44.382 42.059 0.101 0.000 1.291 20 L HN 0.628 nan 8.230 nan 0.000 0.406 21 H N 3.185 122.251 119.070 -0.007 0.000 2.667 21 H HA 0.610 5.169 4.556 0.004 0.000 0.353 21 H C -1.644 173.669 175.328 -0.024 0.000 1.072 21 H CA -0.311 55.668 56.048 -0.115 0.000 1.214 21 H CB 1.216 30.812 29.762 -0.275 0.000 1.600 21 H HN 0.493 nan 8.280 nan 0.000 0.527 22 Y N 4.145 124.086 120.300 -0.599 0.000 2.342 22 Y HA 0.320 4.873 4.550 0.004 0.000 0.334 22 Y C -0.854 174.766 175.900 -0.467 0.000 1.067 22 Y CA -1.033 56.885 58.100 -0.304 0.000 1.128 22 Y CB 0.637 39.010 38.460 -0.146 0.000 1.200 22 Y HN 0.511 nan 8.280 nan 0.000 0.464 23 F N 1.490 121.562 119.950 0.203 0.000 2.449 23 F HA 0.588 5.118 4.527 0.004 0.000 0.342 23 F C 0.200 176.054 175.800 0.090 0.000 1.127 23 F CA -0.492 57.602 58.000 0.155 0.000 0.975 23 F CB 2.025 41.106 39.000 0.135 0.000 1.146 23 F HN 0.296 nan 8.300 nan 0.000 0.444 24 S N 1.287 117.127 115.700 0.234 0.000 2.547 24 S HA 0.267 4.739 4.470 0.004 0.000 0.270 24 S C -0.131 174.533 174.600 0.107 0.000 1.150 24 S CA -0.726 57.556 58.200 0.138 0.000 0.850 24 S CB 1.275 64.531 63.200 0.094 0.000 1.118 24 S HN 0.596 nan 8.310 nan 0.000 0.461 25 D N 1.488 121.934 120.400 0.076 0.000 2.269 25 D HA -0.011 4.631 4.640 0.004 0.000 0.208 25 D C 0.454 176.778 176.300 0.041 0.000 0.963 25 D CA 0.707 54.741 54.000 0.056 0.000 0.864 25 D CB -0.157 40.669 40.800 0.044 0.000 0.936 25 D HN 0.454 nan 8.370 nan 0.000 0.505 26 N N 1.926 120.646 118.700 0.033 0.000 2.405 26 N HA -0.056 4.687 4.740 0.004 0.000 0.260 26 N C 0.340 175.866 175.510 0.027 0.000 1.152 26 N CA 0.066 53.127 53.050 0.019 0.000 0.948 26 N CB 0.868 39.357 38.487 0.004 0.000 1.111 26 N HN -0.151 nan 8.380 nan 0.000 0.485 27 D N 1.229 121.641 120.400 0.019 0.000 2.218 27 D HA -0.148 4.494 4.640 0.004 0.000 0.204 27 D C 1.393 177.696 176.300 0.005 0.000 0.976 27 D CA 1.125 55.136 54.000 0.017 0.000 0.853 27 D CB 0.009 40.816 40.800 0.011 0.000 0.939 27 D HN 0.686 nan 8.370 nan 0.000 0.481 28 S N -0.348 115.351 115.700 -0.001 0.000 2.561 28 S HA 0.008 4.481 4.470 0.004 0.000 0.225 28 S C 1.365 175.966 174.600 0.002 0.000 0.977 28 S CA 0.374 58.567 58.200 -0.012 0.000 0.926 28 S CB 0.180 63.366 63.200 -0.022 0.000 0.769 28 S HN 0.003 nan 8.310 nan 0.000 0.533 29 K N 0.869 121.291 120.400 0.037 0.000 2.413 29 K HA 0.318 4.641 4.320 0.004 0.000 0.204 29 K C -0.860 175.830 176.600 0.150 0.000 1.041 29 K CA 0.015 56.376 56.287 0.122 0.000 1.082 29 K CB 0.392 32.972 32.500 0.135 0.000 0.871 29 K HN 0.431 nan 8.250 nan 0.000 0.535 30 D N 0.141 120.565 120.400 0.040 0.000 2.308 30 D HA 0.522 5.165 4.640 0.004 0.000 0.242 30 D C 0.256 176.473 176.300 -0.139 0.000 1.059 30 D CA 0.239 54.236 54.000 -0.005 0.000 0.830 30 D CB 1.101 41.924 40.800 0.039 0.000 1.161 30 D HN 0.256 nan 8.370 nan 0.000 0.494 31 G N 3.120 111.682 108.800 -0.397 0.000 2.318 31 G HA2 -0.026 3.936 3.960 0.004 0.000 0.367 31 G HA3 -0.026 3.936 3.960 0.004 0.000 0.367 31 G C -1.046 173.380 174.900 -0.790 0.000 1.260 31 G CA -0.710 44.036 45.100 -0.590 0.000 1.055 31 G HN 0.601 nan 8.290 nan 0.000 0.484 32 D N 0.418 120.587 120.400 -0.386 0.000 2.417 32 D HA 0.476 5.118 4.640 0.004 0.000 0.250 32 D C 0.827 176.992 176.300 -0.225 0.000 1.166 32 D CA 0.192 54.071 54.000 -0.201 0.000 0.881 32 D CB 0.711 41.491 40.800 -0.034 0.000 1.164 32 D HN 0.357 nan 8.370 nan 0.000 0.467 33 K N 2.407 122.684 120.400 -0.205 0.000 2.536 33 K HA 0.123 4.445 4.320 0.004 0.000 0.203 33 K C -0.204 176.403 176.600 0.012 0.000 1.063 33 K CA -0.300 55.868 56.287 -0.197 0.000 1.063 33 K CB 0.425 32.640 32.500 -0.476 0.000 0.843 33 K HN 0.404 nan 8.250 nan 0.000 0.521 34 T N 2.517 117.078 114.554 0.011 0.000 2.933 34 T HA 0.038 4.390 4.350 0.004 0.000 0.306 34 T C -0.068 174.698 174.700 0.110 0.000 1.045 34 T CA 0.811 62.927 62.100 0.026 0.000 1.143 34 T CB -0.144 68.720 68.868 -0.007 0.000 1.003 34 T HN 0.282 nan 8.240 nan 0.000 0.540 35 Y N 0.457 120.729 120.300 -0.048 0.000 2.670 35 Y HA 0.757 5.310 4.550 0.004 0.000 0.334 35 Y C -1.174 174.692 175.900 -0.057 0.000 1.185 35 Y CA -1.756 56.298 58.100 -0.077 0.000 1.053 35 Y CB 1.488 39.884 38.460 -0.108 0.000 1.298 35 Y HN 0.462 nan 8.280 nan 0.000 0.459 36 M N 2.704 122.332 119.600 0.047 0.000 2.464 36 M HA 0.591 5.073 4.480 0.004 0.000 0.308 36 M C -1.835 174.496 176.300 0.052 0.000 1.127 36 M CA -0.518 54.771 55.300 -0.019 0.000 0.913 36 M CB 2.474 35.074 32.600 0.001 0.000 1.689 36 M HN 1.065 nan 8.290 nan 0.000 0.445 37 R N 2.555 123.062 120.500 0.013 0.000 2.750 37 R HA 0.834 5.176 4.340 0.004 0.000 0.281 37 R C -1.849 174.390 176.300 -0.102 0.000 0.972 37 R CA -0.786 55.291 56.100 -0.039 0.000 0.912 37 R CB 2.555 32.875 30.300 0.032 0.000 1.187 37 R HN 0.612 nan 8.270 nan 0.000 0.464 38 L N 0.831 121.931 121.223 -0.206 0.000 2.513 38 L HA 0.798 5.140 4.340 0.004 0.000 0.261 38 L C -1.249 175.276 176.870 -0.574 0.000 0.945 38 L CA 0.007 54.686 54.840 -0.269 0.000 0.848 38 L CB 2.341 44.377 42.059 -0.037 0.000 1.334 38 L HN 0.733 nan 8.230 nan 0.000 0.407 39 G N 2.523 110.795 108.800 -0.880 0.000 2.645 39 G HA2 0.657 4.619 3.960 0.004 0.000 0.292 39 G HA3 0.657 4.619 3.960 0.004 0.000 0.292 39 G C -1.942 172.635 174.900 -0.540 0.000 1.415 39 G CA -0.378 44.147 45.100 -0.957 0.000 0.785 39 G HN 0.882 nan 8.290 nan 0.000 0.483 40 F N -0.859 119.035 119.950 -0.092 0.000 2.576 40 F HA 0.893 5.423 4.527 0.004 0.000 0.313 40 F C -0.720 175.230 175.800 0.250 0.000 1.078 40 F CA -1.268 56.809 58.000 0.129 0.000 0.921 40 F CB 2.585 41.680 39.000 0.159 0.000 1.232 40 F HN 0.493 nan 8.300 nan 0.000 0.459 41 K N 2.568 123.316 120.400 0.581 0.000 2.507 41 K HA 0.649 4.972 4.320 0.004 0.000 0.252 41 K C -1.149 175.674 176.600 0.371 0.000 0.943 41 K CA -0.788 55.740 56.287 0.402 0.000 0.808 41 K CB 1.895 34.564 32.500 0.282 0.000 1.142 41 K HN 1.111 nan 8.250 nan 0.000 0.426 42 G N 2.670 111.685 108.800 0.359 0.000 2.566 42 G HA2 0.405 4.368 3.960 0.004 0.000 0.311 42 G HA3 0.405 4.368 3.960 0.004 0.000 0.311 42 G C -1.604 173.449 174.900 0.255 0.000 1.322 42 G CA -0.377 44.887 45.100 0.274 0.000 0.969 42 G HN 0.587 nan 8.290 nan 0.000 0.490 43 E N 0.575 120.898 120.200 0.205 0.000 2.263 43 E HA 0.536 4.888 4.350 0.004 0.000 0.268 43 E C -1.375 175.323 176.600 0.163 0.000 0.884 43 E CA -0.627 55.893 56.400 0.200 0.000 0.766 43 E CB 2.236 32.025 29.700 0.148 0.000 1.196 43 E HN 0.391 nan 8.360 nan 0.000 0.416 44 T N 3.341 117.993 114.554 0.165 0.000 2.824 44 T HA 0.233 4.585 4.350 0.004 0.000 0.282 44 T C -0.943 173.830 174.700 0.121 0.000 0.993 44 T CA -0.658 61.520 62.100 0.130 0.000 0.967 44 T CB 1.263 70.201 68.868 0.117 0.000 0.960 44 T HN 0.397 nan 8.240 nan 0.000 0.441 45 Q N 4.162 124.019 119.800 0.096 0.000 2.307 45 Q HA 0.231 4.573 4.340 0.004 0.000 0.259 45 Q C 0.937 176.988 176.000 0.085 0.000 0.998 45 Q CA -0.114 55.739 55.803 0.084 0.000 0.923 45 Q CB 1.693 30.467 28.738 0.060 0.000 1.196 45 Q HN 0.607 nan 8.270 nan 0.000 0.416 46 V N 2.139 122.113 119.914 0.099 0.000 2.341 46 V HA -0.042 4.080 4.120 0.004 0.000 0.240 46 V C 1.230 177.378 176.094 0.090 0.000 1.035 46 V CA 1.875 64.233 62.300 0.096 0.000 1.033 46 V CB 0.052 31.943 31.823 0.114 0.000 0.678 46 V HN 0.850 nan 8.190 nan 0.000 0.464 47 T N -3.577 111.040 114.554 0.105 0.000 2.773 47 T HA 0.268 4.621 4.350 0.004 0.000 0.278 47 T C 0.377 175.116 174.700 0.064 0.000 1.011 47 T CA -0.317 61.839 62.100 0.093 0.000 1.014 47 T CB 1.553 70.501 68.868 0.133 0.000 1.293 47 T HN 0.110 nan 8.240 nan 0.000 0.554 48 D N 0.077 120.503 120.400 0.043 0.000 2.263 48 D HA -0.052 4.591 4.640 0.004 0.000 0.208 48 D C 1.679 177.950 176.300 -0.049 0.000 0.971 48 D CA 1.256 55.258 54.000 0.004 0.000 0.867 48 D CB 0.153 40.954 40.800 0.001 0.000 0.929 48 D HN 0.613 nan 8.370 nan 0.000 0.492 49 Q N -0.753 118.998 119.800 -0.083 0.000 2.378 49 Q HA 0.158 4.500 4.340 0.004 0.000 0.229 49 Q C 0.041 175.888 176.000 -0.256 0.000 0.882 49 Q CA -0.196 55.406 55.803 -0.335 0.000 0.936 49 Q CB 1.147 29.447 28.738 -0.730 0.000 1.092 49 Q HN 0.042 nan 8.270 nan 0.000 0.535 50 L N 1.947 123.213 121.223 0.071 0.000 2.298 50 L HA 0.370 4.713 4.340 0.004 0.000 0.284 50 L C -0.494 176.479 176.870 0.172 0.000 1.013 50 L CA -0.154 54.837 54.840 0.251 0.000 0.824 50 L CB 1.487 43.778 42.059 0.386 0.000 1.221 50 L HN -0.015 nan 8.230 nan 0.000 0.418 51 T N 1.437 116.102 114.554 0.185 0.000 2.888 51 T HA 0.870 5.223 4.350 0.004 0.000 0.284 51 T C 0.104 174.959 174.700 0.259 0.000 1.017 51 T CA -0.447 61.769 62.100 0.194 0.000 1.022 51 T CB 1.632 70.604 68.868 0.173 0.000 1.013 51 T HN 0.793 nan 8.240 nan 0.000 0.465 52 G N 1.369 110.303 108.800 0.223 0.000 2.400 52 G HA2 0.681 4.643 3.960 0.004 0.000 0.333 52 G HA3 0.681 4.643 3.960 0.004 0.000 0.333 52 G C -1.434 173.634 174.900 0.281 0.000 1.143 52 G CA -1.097 44.115 45.100 0.188 0.000 0.914 52 G HN 0.999 nan 8.290 nan 0.000 0.480 53 Y N -1.277 119.112 120.300 0.148 0.000 2.638 53 Y HA 0.816 5.368 4.550 0.004 0.000 0.335 53 Y C -0.124 175.874 175.900 0.163 0.000 1.155 53 Y CA -1.375 56.819 58.100 0.156 0.000 1.046 53 Y CB 1.361 39.921 38.460 0.166 0.000 1.303 53 Y HN 0.953 nan 8.280 nan 0.000 0.460 54 G N 0.853 109.838 108.800 0.309 0.000 2.718 54 G HA2 0.538 4.501 3.960 0.004 0.000 0.295 54 G HA3 0.538 4.501 3.960 0.004 0.000 0.295 54 G C -2.485 172.456 174.900 0.068 0.000 1.421 54 G CA -0.970 44.219 45.100 0.149 0.000 0.902 54 G HN 0.887 nan 8.290 nan 0.000 0.501 55 Q N -0.285 119.290 119.800 -0.374 0.000 2.353 55 Q HA 0.564 4.906 4.340 0.004 0.000 0.275 55 Q C -2.371 173.261 176.000 -0.614 0.000 1.029 55 Q CA -0.933 54.563 55.803 -0.513 0.000 0.848 55 Q CB 2.848 31.253 28.738 -0.556 0.000 1.390 55 Q HN 0.667 nan 8.270 nan 0.000 0.401 56 W N 3.248 124.035 121.300 -0.854 0.000 3.097 56 W HA 0.563 5.226 4.660 0.004 0.000 0.335 56 W C -1.889 174.353 176.519 -0.462 0.000 1.114 56 W CA -0.241 56.673 57.345 -0.718 0.000 1.231 56 W CB 1.596 30.398 29.460 -1.096 0.000 1.388 56 W HN 0.716 nan 8.180 nan 0.000 0.485 57 E N 4.684 124.264 120.200 -1.033 0.000 2.308 57 E HA 0.375 4.727 4.350 0.004 0.000 0.275 57 E C -2.340 173.717 176.600 -0.906 0.000 0.890 57 E CA -0.775 55.100 56.400 -0.874 0.000 0.754 57 E CB 2.186 31.724 29.700 -0.270 0.000 1.207 57 E HN 0.410 nan 8.360 nan 0.000 0.426 58 Y N 2.012 121.695 120.300 -1.029 0.000 2.477 58 Y HA 0.338 4.891 4.550 0.004 0.000 0.347 58 Y C -1.209 174.369 175.900 -0.537 0.000 0.981 58 Y CA -0.590 57.049 58.100 -0.768 0.000 1.033 58 Y CB 2.185 40.145 38.460 -0.834 0.000 1.245 58 Y HN 0.588 nan 8.280 nan 0.000 0.455 59 Q N 4.987 124.237 119.800 -0.915 0.000 2.337 59 Q HA 0.754 5.096 4.340 0.004 0.000 0.266 59 Q C -1.890 173.434 176.000 -1.126 0.000 1.023 59 Q CA -0.653 54.588 55.803 -0.936 0.000 0.829 59 Q CB 1.465 29.528 28.738 -1.124 0.000 1.306 59 Q HN 0.732 nan 8.270 nan 0.000 0.449 60 I N 3.462 123.655 120.570 -0.628 0.000 2.500 60 I HA 0.225 4.398 4.170 0.004 0.000 0.286 60 I C -0.579 175.386 176.117 -0.254 0.000 1.063 60 I CA -1.073 59.967 61.300 -0.433 0.000 1.062 60 I CB 1.868 39.764 38.000 -0.173 0.000 1.223 60 I HN 0.515 nan 8.210 nan 0.000 0.435 61 Q N 3.620 123.268 119.800 -0.254 0.000 2.364 61 Q HA 0.213 4.556 4.340 0.004 0.000 0.267 61 Q C 0.871 176.856 176.000 -0.025 0.000 0.999 61 Q CA 0.192 55.941 55.803 -0.090 0.000 0.886 61 Q CB 1.458 30.172 28.738 -0.041 0.000 1.243 61 Q HN 0.926 nan 8.270 nan 0.000 0.415 62 G N 1.757 110.568 108.800 0.017 0.000 3.519 62 G HA2 -0.039 3.923 3.960 0.004 0.000 0.269 62 G HA3 -0.039 3.923 3.960 0.004 0.000 0.269 62 G C 0.392 175.294 174.900 0.004 0.000 1.028 62 G CA -0.266 44.838 45.100 0.007 0.000 0.809 62 G HN 0.599 nan 8.290 nan 0.000 0.521 63 N N 0.021 118.721 118.700 0.001 0.000 2.234 63 N HA 0.122 4.865 4.740 0.004 0.000 0.227 63 N C -0.125 175.378 175.510 -0.012 0.000 1.151 63 N CA -0.248 52.795 53.050 -0.011 0.000 0.865 63 N CB 0.622 39.090 38.487 -0.033 0.000 1.066 63 N HN 0.298 nan 8.380 nan 0.000 0.515 64 E N 1.010 121.208 120.200 -0.004 0.000 2.235 64 E HA 0.462 4.815 4.350 0.004 0.000 0.265 64 E C -2.264 174.337 176.600 0.002 0.000 0.940 64 E CA -1.924 54.475 56.400 -0.001 0.000 0.819 64 E CB 1.502 31.206 29.700 0.006 0.000 1.206 64 E HN 0.169 nan 8.360 nan 0.000 0.409 65 P HA 0.082 nan 4.420 nan 0.000 0.274 65 P C -0.253 177.051 177.300 0.008 0.000 1.256 65 P CA -0.066 63.036 63.100 0.004 0.000 0.795 65 P CB 0.767 32.470 31.700 0.004 0.000 1.038 66 E N -0.363 119.841 120.200 0.008 0.000 2.427 66 E HA -0.087 4.265 4.350 0.004 0.000 0.196 66 E C 1.627 178.234 176.600 0.013 0.000 1.028 66 E CA 0.891 57.297 56.400 0.010 0.000 0.864 66 E CB -0.019 29.686 29.700 0.009 0.000 0.813 66 E HN 0.494 nan 8.360 nan 0.000 0.514 67 S N 0.219 115.926 115.700 0.011 0.000 2.496 67 S HA -0.078 4.395 4.470 0.004 0.000 0.224 67 S C 0.632 175.241 174.600 0.016 0.000 0.996 67 S CA 0.438 58.646 58.200 0.013 0.000 0.927 67 S CB 0.359 63.565 63.200 0.010 0.000 0.774 67 S HN 0.043 nan 8.310 nan 0.000 0.524 68 D N 0.714 121.124 120.400 0.017 0.000 2.752 68 D HA 0.221 4.863 4.640 0.004 0.000 0.242 68 D C -1.452 174.862 176.300 0.024 0.000 1.295 68 D CA -0.229 53.784 54.000 0.021 0.000 0.846 68 D CB -0.096 40.714 40.800 0.016 0.000 1.454 68 D HN 0.403 nan 8.370 nan 0.000 0.535 69 N N 1.122 119.840 118.700 0.028 0.000 2.372 69 N HA 0.469 5.212 4.740 0.004 0.000 0.291 69 N C -0.713 174.821 175.510 0.040 0.000 1.024 69 N CA -0.454 52.613 53.050 0.027 0.000 0.873 69 N CB 0.969 39.468 38.487 0.020 0.000 1.206 69 N HN 0.222 nan 8.380 nan 0.000 0.486 70 S N 1.638 117.365 115.700 0.046 0.000 2.509 70 S HA 0.712 5.184 4.470 0.004 0.000 0.297 70 S C -0.431 174.170 174.600 0.001 0.000 1.118 70 S CA -0.618 57.635 58.200 0.089 0.000 1.074 70 S CB 1.546 64.847 63.200 0.169 0.000 1.038 70 S HN 0.628 nan 8.310 nan 0.000 0.498 71 S N 0.567 116.267 115.700 -0.000 0.000 2.638 71 S HA 0.912 5.384 4.470 0.004 0.000 0.274 71 S C -1.565 172.935 174.600 -0.167 0.000 1.157 71 S CA -1.048 56.921 58.200 -0.385 0.000 0.826 71 S CB 0.724 63.674 63.200 -0.417 0.000 1.139 71 S HN 1.590 nan 8.310 nan 0.000 0.474 72 W N -1.230 119.666 121.300 -0.674 0.000 3.298 72 W HA 0.634 5.297 4.660 0.005 0.000 0.302 72 W C -1.690 174.588 176.519 -0.401 0.000 1.255 72 W CA -0.828 56.291 57.345 -0.376 0.000 1.196 72 W CB 0.312 29.649 29.460 -0.205 0.000 1.364 72 W HN 0.571 nan 8.180 nan 0.000 0.566 73 T N 2.946 117.663 114.554 0.272 0.000 2.761 73 T HA 0.257 4.610 4.350 0.004 0.000 0.296 73 T C 1.002 175.801 174.700 0.165 0.000 0.934 73 T CA -0.339 61.921 62.100 0.267 0.000 1.091 73 T CB 1.135 70.225 68.868 0.370 0.000 0.896 73 T HN 0.513 nan 8.240 nan 0.000 0.515 74 R N 1.886 122.397 120.500 0.020 0.000 2.057 74 R HA 0.193 4.536 4.340 0.004 0.000 0.224 74 R C 0.831 177.107 176.300 -0.041 0.000 1.136 74 R CA 0.557 56.665 56.100 0.013 0.000 0.968 74 R CB 0.184 30.473 30.300 -0.019 0.000 0.863 74 R HN 0.590 nan 8.270 nan 0.000 0.433 75 V N -3.515 116.371 119.914 -0.047 0.000 2.962 75 V HA 0.894 5.016 4.120 0.004 0.000 0.313 75 V C -1.453 174.662 176.094 0.035 0.000 1.099 75 V CA -1.122 61.213 62.300 0.059 0.000 0.971 75 V CB 2.015 33.965 31.823 0.213 0.000 1.028 75 V HN 0.099 nan 8.190 nan 0.000 0.430 76 A N 4.281 127.186 122.820 0.143 0.000 2.562 76 A HA 0.802 5.125 4.320 0.004 0.000 0.297 76 A C -1.125 176.546 177.584 0.145 0.000 1.100 76 A CA -0.295 51.808 52.037 0.109 0.000 0.914 76 A CB 0.378 19.518 19.000 0.233 0.000 1.490 76 A HN 2.172 nan 8.150 nan 0.000 0.391 77 F N -0.105 119.883 119.950 0.063 0.000 2.631 77 F HA 0.940 5.470 4.527 0.004 0.000 0.308 77 F C -0.264 175.564 175.800 0.047 0.000 1.097 77 F CA -0.943 57.074 58.000 0.028 0.000 0.952 77 F CB 1.276 40.280 39.000 0.006 0.000 1.307 77 F HN 0.807 nan 8.300 nan 0.000 0.450 78 A N 1.010 123.970 122.820 0.233 0.000 2.374 78 A HA 1.014 5.336 4.320 0.004 0.000 0.317 78 A C -0.380 177.153 177.584 -0.084 0.000 1.094 78 A CA -0.335 51.738 52.037 0.060 0.000 0.765 78 A CB 1.242 20.281 19.000 0.066 0.000 1.268 78 A HN 1.871 nan 8.150 nan 0.000 0.438 79 G N -0.375 108.111 108.800 -0.523 0.000 2.608 79 G HA2 0.589 4.552 3.960 0.004 0.000 0.291 79 G HA3 0.589 4.552 3.960 0.004 0.000 0.291 79 G C -1.765 172.738 174.900 -0.662 0.000 1.425 79 G CA -0.637 44.041 45.100 -0.703 0.000 0.787 79 G HN 0.761 nan 8.290 nan 0.000 0.484 80 L N -0.056 121.089 121.223 -0.130 0.000 2.370 80 L HA 0.710 5.053 4.340 0.004 0.000 0.266 80 L C -0.310 176.791 176.870 0.385 0.000 1.002 80 L CA -0.891 54.044 54.840 0.159 0.000 0.818 80 L CB 2.661 44.826 42.059 0.177 0.000 1.325 80 L HN 0.516 nan 8.230 nan 0.000 0.418 81 K N 2.163 122.808 120.400 0.408 0.000 2.507 81 K HA 0.486 4.809 4.320 0.004 0.000 0.252 81 K C -1.890 174.891 176.600 0.300 0.000 0.943 81 K CA -0.458 56.032 56.287 0.338 0.000 0.808 81 K CB 1.630 34.292 32.500 0.270 0.000 1.142 81 K HN 0.376 nan 8.250 nan 0.000 0.426 82 F N 2.979 123.000 119.950 0.119 0.000 2.469 82 F HA 0.303 4.833 4.527 0.004 0.000 0.332 82 F C 0.017 175.857 175.800 0.066 0.000 1.103 82 F CA -0.489 57.565 58.000 0.091 0.000 0.979 82 F CB 1.720 40.775 39.000 0.091 0.000 1.137 82 F HN 0.522 nan 8.300 nan 0.000 0.463 83 Q N 3.977 123.454 119.800 -0.539 0.000 2.300 83 Q HA 0.125 4.467 4.340 0.004 0.000 0.280 83 Q C 0.022 175.940 176.000 -0.136 0.000 1.033 83 Q CA 0.898 56.518 55.803 -0.304 0.000 0.903 83 Q CB 0.161 28.687 28.738 -0.353 0.000 1.195 83 Q HN 0.713 nan 8.270 nan 0.000 0.386 84 D N 1.877 122.259 120.400 -0.030 0.000 3.039 84 D HA -0.182 4.461 4.640 0.004 0.000 0.222 84 D C 0.045 176.429 176.300 0.140 0.000 1.179 84 D CA 1.114 55.146 54.000 0.054 0.000 0.880 84 D CB -1.320 39.530 40.800 0.083 0.000 1.115 84 D HN 0.345 nan 8.370 nan 0.000 0.416 85 V N -1.868 118.128 119.914 0.137 0.000 3.251 85 V HA 0.577 4.699 4.120 0.004 0.000 0.239 85 V C 1.286 177.390 176.094 0.017 0.000 1.332 85 V CA 0.955 63.381 62.300 0.210 0.000 1.224 85 V CB 1.166 33.245 31.823 0.427 0.000 1.004 85 V HN 0.594 nan 8.190 nan 0.000 0.464 86 G N 0.699 109.523 108.800 0.041 0.000 2.334 86 G HA2 0.239 4.202 3.960 0.004 0.000 0.315 86 G HA3 0.239 4.202 3.960 0.004 0.000 0.315 86 G C -0.616 174.355 174.900 0.119 0.000 1.284 86 G CA -0.056 45.034 45.100 -0.017 0.000 0.985 86 G HN 0.924 nan 8.290 nan 0.000 0.504 87 S N -1.316 114.456 115.700 0.120 0.000 2.599 87 S HA 0.874 5.346 4.470 0.004 0.000 0.294 87 S C -1.140 173.615 174.600 0.259 0.000 1.094 87 S CA -0.580 57.754 58.200 0.223 0.000 0.931 87 S CB 2.503 65.828 63.200 0.209 0.000 1.093 87 S HN 1.947 nan 8.310 nan 0.000 0.488 88 F N 1.518 121.529 119.950 0.102 0.000 2.561 88 F HA 0.670 5.199 4.527 0.004 0.000 0.313 88 F C -1.885 173.901 175.800 -0.022 0.000 1.126 88 F CA -0.486 57.476 58.000 -0.064 0.000 0.918 88 F CB 1.680 40.596 39.000 -0.141 0.000 1.199 88 F HN 0.921 nan 8.300 nan 0.000 0.444 89 D N 3.433 123.277 120.400 -0.926 0.000 2.661 89 D HA 0.382 5.024 4.640 0.004 0.000 0.228 89 D C -2.071 173.773 176.300 -0.760 0.000 1.210 89 D CA -0.557 53.051 54.000 -0.653 0.000 0.826 89 D CB 1.906 42.590 40.800 -0.193 0.000 1.542 89 D HN 0.474 nan 8.370 nan 0.000 0.447 90 Y N 0.421 120.461 120.300 -0.434 0.000 2.442 90 Y HA 0.700 5.252 4.550 0.004 0.000 0.344 90 Y C 0.130 176.055 175.900 0.041 0.000 0.976 90 Y CA 0.335 58.317 58.100 -0.198 0.000 1.040 90 Y CB 1.912 40.336 38.460 -0.061 0.000 1.228 90 Y HN 0.965 nan 8.280 nan 0.000 0.451 91 G N 4.281 112.643 108.800 -0.730 0.000 2.373 91 G HA2 0.078 4.040 3.960 0.004 0.000 0.250 91 G HA3 0.078 4.040 3.960 0.004 0.000 0.250 91 G C -1.763 172.974 174.900 -0.272 0.000 1.304 91 G CA -1.191 43.642 45.100 -0.446 0.000 0.948 91 G HN 0.740 nan 8.290 nan 0.000 0.474 92 R N 0.775 121.252 120.500 -0.039 0.000 2.265 92 R HA 0.602 4.945 4.340 0.004 0.000 0.314 92 R C -0.327 176.071 176.300 0.163 0.000 1.053 92 R CA -0.202 55.913 56.100 0.025 0.000 0.931 92 R CB 0.504 30.823 30.300 0.031 0.000 1.024 92 R HN 0.649 nan 8.270 nan 0.000 0.457 93 N N 2.193 121.010 118.700 0.194 0.000 3.449 93 N HA 0.166 4.909 4.740 0.004 0.000 0.312 93 N C -1.875 173.599 175.510 -0.060 0.000 1.557 93 N CA -0.641 52.462 53.050 0.087 0.000 0.864 93 N CB 0.565 39.001 38.487 -0.086 0.000 1.799 93 N HN 0.364 nan 8.380 nan 0.000 0.554 94 Y N 0.710 120.901 120.300 -0.182 0.000 2.327 94 Y HA 0.447 5.000 4.550 0.004 0.000 0.336 94 Y C 1.458 176.952 175.900 -0.677 0.000 1.035 94 Y CA -0.125 57.796 58.100 -0.299 0.000 1.165 94 Y CB 0.908 39.260 38.460 -0.180 0.000 1.181 94 Y HN 0.483 nan 8.280 nan 0.000 0.494 95 G N 1.691 110.119 108.800 -0.621 0.000 2.484 95 G HA2 0.104 4.066 3.960 0.004 0.000 0.235 95 G HA3 0.104 4.066 3.960 0.004 0.000 0.235 95 G C 0.943 175.653 174.900 -0.316 0.000 1.282 95 G CA -0.440 44.216 45.100 -0.740 0.000 0.857 95 G HN 0.707 nan 8.290 nan 0.000 0.571 96 V N 2.669 122.402 119.914 -0.302 0.000 2.594 96 V HA -0.174 3.948 4.120 0.004 0.000 0.253 96 V C 2.892 178.908 176.094 -0.129 0.000 1.069 96 V CA 1.915 64.113 62.300 -0.171 0.000 1.082 96 V CB -0.333 31.409 31.823 -0.134 0.000 0.680 96 V HN 0.536 nan 8.190 nan 0.000 0.469 97 V N -0.614 119.225 119.914 -0.124 0.000 2.317 97 V HA -0.332 3.790 4.120 0.004 0.000 0.251 97 V C 2.210 178.206 176.094 -0.163 0.000 1.065 97 V CA 2.702 64.918 62.300 -0.140 0.000 1.049 97 V CB -1.044 30.700 31.823 -0.133 0.000 0.651 97 V HN 0.748 nan 8.190 nan 0.000 0.450 98 Y N 1.338 121.489 120.300 -0.248 0.000 2.483 98 Y HA -0.191 4.361 4.550 0.004 0.000 0.291 98 Y C 2.110 177.865 175.900 -0.242 0.000 1.143 98 Y CA 1.228 59.187 58.100 -0.235 0.000 1.289 98 Y CB -0.389 38.011 38.460 -0.101 0.000 0.983 98 Y HN 0.376 nan 8.280 nan 0.000 0.556 99 D N -1.041 119.229 120.400 -0.218 0.000 2.221 99 D HA -0.153 4.489 4.640 0.004 0.000 0.204 99 D C 2.024 178.000 176.300 -0.540 0.000 0.982 99 D CA 1.460 55.300 54.000 -0.267 0.000 0.857 99 D CB 0.035 40.740 40.800 -0.159 0.000 0.934 99 D HN 0.329 nan 8.370 nan 0.000 0.475 100 V N 0.034 119.557 119.914 -0.652 0.000 2.806 100 V HA -0.078 4.044 4.120 0.004 0.000 0.239 100 V C 2.515 178.116 176.094 -0.821 0.000 1.113 100 V CA 1.340 63.003 62.300 -1.062 0.000 1.137 100 V CB -0.313 31.062 31.823 -0.745 0.000 0.865 100 V HN 0.230 nan 8.190 nan 0.000 0.482 101 T N -0.075 114.173 114.554 -0.510 0.000 2.881 101 T HA -0.196 4.156 4.350 0.004 0.000 0.270 101 T C 1.993 176.495 174.700 -0.330 0.000 1.068 101 T CA 1.727 63.639 62.100 -0.314 0.000 1.131 101 T CB -0.620 68.103 68.868 -0.242 0.000 0.871 101 T HN 0.577 nan 8.240 nan 0.000 0.479 102 S N 0.242 115.504 115.700 -0.730 0.000 2.419 102 S HA -0.146 4.326 4.470 0.004 0.000 0.235 102 S C 1.651 176.194 174.600 -0.095 0.000 1.019 102 S CA 0.729 58.463 58.200 -0.776 0.000 0.982 102 S CB -1.088 61.401 63.200 -1.184 0.000 0.789 102 S HN 0.679 nan 8.310 nan 0.000 0.490 103 W N 2.932 124.128 121.300 -0.174 0.000 2.364 103 W HA 0.040 4.702 4.660 0.005 0.000 0.281 103 W C 2.541 179.123 176.519 0.106 0.000 1.219 103 W CA 1.350 58.697 57.345 0.004 0.000 1.220 103 W CB -1.610 27.849 29.460 -0.002 0.000 1.127 103 W HN 0.636 nan 8.180 nan 0.000 0.556 104 T N -4.075 110.622 114.554 0.239 0.000 3.040 104 T HA 0.018 4.371 4.350 0.004 0.000 0.250 104 T C 0.556 175.333 174.700 0.128 0.000 1.058 104 T CA 0.121 62.324 62.100 0.172 0.000 0.988 104 T CB 0.025 68.938 68.868 0.075 0.000 0.993 104 T HN -0.211 nan 8.240 nan 0.000 0.519 105 D N 2.683 123.154 120.400 0.120 0.000 2.801 105 D HA 0.169 4.812 4.640 0.004 0.000 0.232 105 D C 0.959 177.303 176.300 0.073 0.000 1.128 105 D CA -0.251 53.828 54.000 0.133 0.000 1.003 105 D CB -0.067 40.872 40.800 0.231 0.000 1.110 105 D HN 0.398 nan 8.370 nan 0.000 0.477 106 V N -0.832 119.102 119.914 0.034 0.000 3.199 106 V HA 0.336 4.458 4.120 0.004 0.000 0.331 106 V C 0.510 176.577 176.094 -0.045 0.000 1.446 106 V CA -0.562 61.706 62.300 -0.053 0.000 1.120 106 V CB -0.689 31.019 31.823 -0.192 0.000 1.051 106 V HN 0.030 nan 8.190 nan 0.000 0.495 107 L N 0.614 121.836 121.223 -0.002 0.000 2.466 107 L HA 0.389 4.731 4.340 0.004 0.000 0.257 107 L C -0.911 175.882 176.870 -0.129 0.000 1.189 107 L CA -1.409 53.423 54.840 -0.013 0.000 0.813 107 L CB 0.418 42.519 42.059 0.071 0.000 1.118 107 L HN 0.031 nan 8.230 nan 0.000 0.471 108 P HA -0.165 nan 4.420 nan 0.000 0.215 108 P C 0.831 177.712 177.300 -0.699 0.000 1.153 108 P CA 1.175 63.925 63.100 -0.584 0.000 0.853 108 P CB 0.401 31.687 31.700 -0.690 0.000 0.788 109 E N -3.138 116.754 120.200 -0.514 0.000 2.684 109 E HA 0.140 4.493 4.350 0.004 0.000 0.204 109 E C 0.627 176.988 176.600 -0.399 0.000 0.900 109 E CA 0.053 56.173 56.400 -0.466 0.000 1.481 109 E CB -0.309 29.054 29.700 -0.562 0.000 1.468 109 E HN -0.113 nan 8.360 nan 0.000 0.778 110 F N 0.935 120.886 119.950 0.001 0.000 2.139 110 F HA 0.642 5.172 4.527 0.004 0.000 0.273 110 F C 1.541 177.385 175.800 0.074 0.000 1.058 110 F CA 0.427 58.436 58.000 0.015 0.000 1.149 110 F CB -0.357 38.607 39.000 -0.061 0.000 1.739 110 F HN 0.181 nan 8.300 nan 0.000 0.536 111 G N -1.125 107.912 108.800 0.394 0.000 2.795 111 G HA2 0.389 4.352 3.960 0.004 0.000 0.664 111 G HA3 0.389 4.352 3.960 0.004 0.000 0.664 111 G C 0.464 175.435 174.900 0.117 0.000 1.381 111 G CA -0.255 44.991 45.100 0.244 0.000 0.853 111 G HN 1.877 nan 8.290 nan 0.000 0.545 112 G N -0.853 107.973 108.800 0.043 0.000 2.179 112 G HA2 0.034 3.997 3.960 0.004 0.000 0.257 112 G HA3 0.034 3.997 3.960 0.004 0.000 0.257 112 G C 0.501 175.111 174.900 -0.484 0.000 1.010 112 G CA 1.375 46.435 45.100 -0.066 0.000 0.736 112 G HN 2.330 nan 8.290 nan 0.000 0.513 113 D N -0.777 119.430 120.400 -0.320 0.000 2.650 113 D HA 0.148 4.790 4.640 0.004 0.000 0.265 113 D C 1.475 177.637 176.300 -0.229 0.000 1.339 113 D CA 0.550 54.368 54.000 -0.303 0.000 0.816 113 D CB -0.684 40.077 40.800 -0.065 0.000 1.091 113 D HN 0.429 nan 8.370 nan 0.000 0.483 114 T N -2.253 112.149 114.554 -0.254 0.000 3.169 114 T HA 0.211 4.564 4.350 0.004 0.000 0.250 114 T C 0.268 175.030 174.700 0.103 0.000 1.111 114 T CA 0.032 62.110 62.100 -0.037 0.000 1.010 114 T CB -0.878 68.017 68.868 0.045 0.000 0.984 114 T HN 0.373 nan 8.240 nan 0.000 0.537 115 Y N -2.203 118.133 120.300 0.061 0.000 2.764 115 Y HA 0.777 5.330 4.550 0.004 0.000 0.331 115 Y C -1.457 174.478 175.900 0.058 0.000 1.280 115 Y CA -1.814 56.333 58.100 0.078 0.000 1.065 115 Y CB 0.667 39.187 38.460 0.100 0.000 1.319 115 Y HN -0.111 nan 8.280 nan 0.000 0.453 116 D N -0.098 120.456 120.400 0.257 0.000 2.531 116 D HA 0.399 5.041 4.640 0.004 0.000 0.244 116 D C -1.052 175.335 176.300 0.144 0.000 1.090 116 D CA -0.738 53.322 54.000 0.100 0.000 0.989 116 D CB 2.350 43.165 40.800 0.026 0.000 1.433 116 D HN 0.564 nan 8.370 nan 0.000 0.492 117 S N 0.390 116.103 115.700 0.022 0.000 2.572 117 S HA 0.029 4.502 4.470 0.004 0.000 0.279 117 S C 0.086 174.662 174.600 -0.039 0.000 1.341 117 S CA -0.101 58.079 58.200 -0.033 0.000 1.043 117 S CB 0.231 63.359 63.200 -0.121 0.000 0.887 117 S HN 0.444 nan 8.310 nan 0.000 0.516 118 D N 1.284 121.656 120.400 -0.047 0.000 2.689 118 D HA -0.195 4.447 4.640 0.004 0.000 0.237 118 D C -0.244 176.007 176.300 -0.082 0.000 1.148 118 D CA 0.640 54.594 54.000 -0.076 0.000 0.656 118 D CB -1.223 39.516 40.800 -0.102 0.000 1.050 118 D HN 0.714 nan 8.370 nan 0.000 0.426 119 N N 0.351 119.040 118.700 -0.018 0.000 2.813 119 N HA 0.238 4.981 4.740 0.004 0.000 0.282 119 N C 0.388 175.973 175.510 0.125 0.000 1.748 119 N CA -0.449 52.619 53.050 0.030 0.000 0.860 119 N CB 0.430 39.029 38.487 0.187 0.000 1.204 119 N HN -0.061 nan 8.380 nan 0.000 0.490 120 F N -0.070 119.953 119.950 0.121 0.000 2.169 120 F HA -0.406 4.123 4.527 0.004 0.000 0.314 120 F C 1.255 177.161 175.800 0.176 0.000 0.318 120 F CA 1.141 59.199 58.000 0.097 0.000 0.904 120 F CB -0.593 38.441 39.000 0.058 0.000 4.078 120 F HN 0.280 nan 8.300 nan 0.000 0.173 121 M N 0.260 120.093 119.600 0.389 0.000 2.549 121 M HA 0.137 4.619 4.480 0.004 0.000 0.273 121 M C 1.020 177.394 176.300 0.124 0.000 1.213 121 M CA 0.299 55.798 55.300 0.332 0.000 0.976 121 M CB 0.161 32.916 32.600 0.259 0.000 1.457 121 M HN 0.436 nan 8.290 nan 0.000 0.485 122 Q N 0.060 119.936 119.800 0.127 0.000 2.212 122 Q HA 0.058 4.401 4.340 0.004 0.000 0.199 122 Q C 1.387 177.330 176.000 -0.096 0.000 0.950 122 Q CA 0.878 56.668 55.803 -0.022 0.000 0.863 122 Q CB 0.650 29.406 28.738 0.031 0.000 0.944 122 Q HN 0.540 nan 8.270 nan 0.000 0.465 123 Q N -0.728 119.081 119.800 0.016 0.000 2.795 123 Q HA 0.281 4.624 4.340 0.004 0.000 0.402 123 Q C -0.827 175.118 176.000 -0.092 0.000 0.682 123 Q CA -0.610 55.160 55.803 -0.055 0.000 0.909 123 Q CB 1.114 29.888 28.738 0.060 0.000 1.569 123 Q HN 0.010 nan 8.270 nan 0.000 0.353 124 R N -0.423 119.921 120.500 -0.259 0.000 2.643 124 R HA 0.499 4.842 4.340 0.004 0.000 0.270 124 R C -0.027 176.274 176.300 0.002 0.000 1.061 124 R CA 0.669 56.583 56.100 -0.310 0.000 1.107 124 R CB 0.537 30.560 30.300 -0.460 0.000 0.999 124 R HN 0.628 nan 8.270 nan 0.000 0.460 125 G N 1.030 109.907 108.800 0.129 0.000 2.547 125 G HA2 0.149 4.111 3.960 0.004 0.000 0.291 125 G HA3 0.149 4.111 3.960 0.004 0.000 0.291 125 G C -1.570 173.173 174.900 -0.260 0.000 1.471 125 G CA -1.018 44.054 45.100 -0.046 0.000 0.798 125 G HN 0.597 nan 8.290 nan 0.000 0.504 126 N N -0.306 118.178 118.700 -0.360 0.000 2.518 126 N HA 0.469 5.211 4.740 0.004 0.000 0.283 126 N C 0.836 176.043 175.510 -0.506 0.000 1.119 126 N CA 0.674 53.526 53.050 -0.331 0.000 0.983 126 N CB 1.398 39.771 38.487 -0.189 0.000 1.139 126 N HN 1.569 nan 8.380 nan 0.000 0.465 127 G N 0.922 109.470 108.800 -0.420 0.000 2.256 127 G HA2 -0.259 3.703 3.960 0.004 0.000 0.272 127 G HA3 -0.259 3.703 3.960 0.004 0.000 0.272 127 G C -0.734 174.007 174.900 -0.265 0.000 1.076 127 G CA -0.471 44.426 45.100 -0.338 0.000 0.882 127 G HN 0.393 nan 8.290 nan 0.000 0.497 128 F N 0.725 120.555 119.950 -0.200 0.000 2.424 128 F HA 0.620 5.149 4.527 0.004 0.000 0.356 128 F C 0.781 176.567 175.800 -0.024 0.000 1.110 128 F CA -0.537 57.422 58.000 -0.070 0.000 1.161 128 F CB 1.729 40.658 39.000 -0.119 0.000 1.115 128 F HN 0.407 nan 8.300 nan 0.000 0.507 129 A N 3.058 126.123 122.820 0.409 0.000 2.253 129 A HA 0.664 4.987 4.320 0.004 0.000 0.316 129 A C -0.342 177.324 177.584 0.136 0.000 1.327 129 A CA -0.404 51.817 52.037 0.306 0.000 0.917 129 A CB -0.014 19.324 19.000 0.563 0.000 1.162 129 A HN 0.675 nan 8.150 nan 0.000 0.535 130 T N 2.828 117.222 114.554 -0.266 0.000 2.809 130 T HA 0.514 4.866 4.350 0.004 0.000 0.284 130 T C -1.000 173.548 174.700 -0.253 0.000 0.992 130 T CA -0.013 61.988 62.100 -0.164 0.000 0.957 130 T CB 0.368 69.112 68.868 -0.207 0.000 0.942 130 T HN 0.424 nan 8.240 nan 0.000 0.439 131 Y N 2.013 122.408 120.300 0.158 0.000 2.342 131 Y HA 0.644 5.197 4.550 0.004 0.000 0.334 131 Y C 0.965 176.860 175.900 -0.007 0.000 1.067 131 Y CA -1.045 57.156 58.100 0.169 0.000 1.128 131 Y CB 1.316 39.916 38.460 0.234 0.000 1.200 131 Y HN 0.313 nan 8.280 nan 0.000 0.464 132 R N 2.034 122.569 120.500 0.058 0.000 2.673 132 R HA 0.373 4.715 4.340 0.004 0.000 0.281 132 R C -1.431 174.696 176.300 -0.288 0.000 0.991 132 R CA -1.091 54.924 56.100 -0.141 0.000 0.896 132 R CB 2.079 32.317 30.300 -0.104 0.000 1.201 132 R HN 0.563 nan 8.270 nan 0.000 0.457 133 N N 1.414 119.757 118.700 -0.595 0.000 2.399 133 N HA 0.224 4.967 4.740 0.004 0.000 0.284 133 N C -1.537 173.711 175.510 -0.437 0.000 1.025 133 N CA -0.241 52.394 53.050 -0.692 0.000 0.885 133 N CB 2.149 39.864 38.487 -1.286 0.000 1.339 133 N HN 0.650 nan 8.380 nan 0.000 0.487 134 T N 0.134 114.541 114.554 -0.244 0.000 2.797 134 T HA 0.388 4.740 4.350 0.004 0.000 0.279 134 T C -0.262 174.432 174.700 -0.011 0.000 0.991 134 T CA -0.446 61.603 62.100 -0.086 0.000 0.979 134 T CB 0.993 69.822 68.868 -0.065 0.000 0.943 134 T HN 0.479 nan 8.240 nan 0.000 0.444 135 D N 0.666 121.123 120.400 0.095 0.000 2.945 135 D HA -0.207 4.435 4.640 0.004 0.000 0.225 135 D C 0.054 176.528 176.300 0.291 0.000 1.158 135 D CA 0.898 55.003 54.000 0.175 0.000 0.805 135 D CB -1.787 39.084 40.800 0.117 0.000 1.098 135 D HN 0.885 nan 8.370 nan 0.000 0.426 136 F N -0.098 119.928 119.950 0.126 0.000 2.384 136 F HA -0.330 4.199 4.527 0.004 0.000 0.199 136 F C 0.373 176.361 175.800 0.313 0.000 1.027 136 F CA 0.919 59.061 58.000 0.235 0.000 0.870 136 F CB -1.554 37.647 39.000 0.335 0.000 0.895 136 F HN 0.160 nan 8.300 nan 0.000 0.818 137 F N 1.136 121.051 119.950 -0.058 0.000 3.100 137 F HA -0.239 4.290 4.527 0.004 0.000 0.284 137 F C 1.590 177.419 175.800 0.048 0.000 0.875 137 F CA 1.484 59.453 58.000 -0.051 0.000 1.039 137 F CB -1.530 37.377 39.000 -0.155 0.000 1.111 137 F HN 1.151 nan 8.300 nan 0.000 0.575 138 G N -0.780 108.129 108.800 0.183 0.000 2.162 138 G HA2 -0.340 3.622 3.960 0.004 0.000 0.260 138 G HA3 -0.340 3.622 3.960 0.004 0.000 0.260 138 G C 0.801 175.819 174.900 0.196 0.000 0.976 138 G CA 0.354 45.549 45.100 0.159 0.000 0.655 138 G HN 0.545 nan 8.290 nan 0.000 0.533 139 L N -0.805 120.591 121.223 0.288 0.000 2.408 139 L HA 0.303 4.645 4.340 0.004 0.000 0.215 139 L C 0.636 177.655 176.870 0.249 0.000 1.081 139 L CA 0.568 55.577 54.840 0.281 0.000 0.840 139 L CB 0.471 42.761 42.059 0.384 0.000 1.002 139 L HN 0.122 nan 8.230 nan 0.000 0.468 140 V N 0.257 120.347 119.914 0.293 0.000 2.385 140 V HA 0.216 4.338 4.120 0.004 0.000 0.277 140 V C -0.929 175.315 176.094 0.251 0.000 1.012 140 V CA -0.990 61.450 62.300 0.233 0.000 0.832 140 V CB 1.266 33.197 31.823 0.181 0.000 1.028 140 V HN 0.040 nan 8.190 nan 0.000 0.436 141 D N 3.971 124.498 120.400 0.212 0.000 2.472 141 D HA 0.346 4.988 4.640 0.004 0.000 0.248 141 D C 1.302 177.720 176.300 0.196 0.000 1.174 141 D CA 1.885 55.992 54.000 0.179 0.000 0.883 141 D CB 1.387 42.276 40.800 0.147 0.000 1.149 141 D HN 0.968 nan 8.370 nan 0.000 0.488 142 G N 1.885 110.764 108.800 0.133 0.000 2.194 142 G HA2 -0.266 3.697 3.960 0.004 0.000 0.236 142 G HA3 -0.266 3.697 3.960 0.004 0.000 0.236 142 G C 0.129 175.133 174.900 0.174 0.000 0.987 142 G CA -0.235 44.890 45.100 0.042 0.000 0.635 142 G HN 0.470 nan 8.290 nan 0.000 0.520 143 L N 2.529 123.951 121.223 0.330 0.000 2.268 143 L HA 0.698 5.040 4.340 0.004 0.000 0.289 143 L C -0.917 176.154 176.870 0.335 0.000 1.064 143 L CA -0.986 54.093 54.840 0.398 0.000 0.824 143 L CB 0.843 43.120 42.059 0.363 0.000 1.202 143 L HN 0.112 nan 8.230 nan 0.000 0.433 144 D N 5.056 125.631 120.400 0.292 0.000 2.342 144 D HA 0.648 5.290 4.640 0.004 0.000 0.243 144 D C -0.773 175.719 176.300 0.321 0.000 1.019 144 D CA 0.242 54.370 54.000 0.213 0.000 0.864 144 D CB 1.818 42.685 40.800 0.112 0.000 1.315 144 D HN 0.312 nan 8.370 nan 0.000 0.468 145 F N -1.038 118.970 119.950 0.097 0.000 2.686 145 F HA 0.841 5.370 4.527 0.004 0.000 0.311 145 F C -1.878 173.955 175.800 0.054 0.000 1.128 145 F CA -1.198 56.852 58.000 0.084 0.000 0.946 145 F CB 1.298 40.374 39.000 0.126 0.000 1.336 145 F HN 0.376 nan 8.300 nan 0.000 0.457 146 A N 1.653 124.591 122.820 0.196 0.000 2.455 146 A HA 0.778 5.101 4.320 0.004 0.000 0.300 146 A C -2.080 175.610 177.584 0.177 0.000 1.040 146 A CA -0.832 51.253 52.037 0.080 0.000 0.697 146 A CB 1.680 20.685 19.000 0.009 0.000 1.265 146 A HN 0.954 nan 8.150 nan 0.000 0.407 147 V N 1.876 121.899 119.914 0.181 0.000 2.495 147 V HA 0.653 4.775 4.120 0.004 0.000 0.298 147 V C -0.138 176.027 176.094 0.119 0.000 1.031 147 V CA -0.385 61.986 62.300 0.118 0.000 0.871 147 V CB 1.561 33.462 31.823 0.131 0.000 0.988 147 V HN 0.958 nan 8.190 nan 0.000 0.432 148 Q N 2.730 122.488 119.800 -0.070 0.000 2.331 148 Q HA 0.585 4.927 4.340 0.004 0.000 0.272 148 Q C -2.176 173.729 176.000 -0.159 0.000 1.062 148 Q CA -0.642 55.158 55.803 -0.005 0.000 0.806 148 Q CB 2.536 31.263 28.738 -0.019 0.000 1.312 148 Q HN 0.725 nan 8.270 nan 0.000 0.431 149 Y N 1.020 121.498 120.300 0.297 0.000 2.393 149 Y HA 0.367 4.920 4.550 0.004 0.000 0.341 149 Y C -0.380 175.703 175.900 0.305 0.000 0.988 149 Y CA -0.723 57.540 58.100 0.272 0.000 1.078 149 Y CB 2.073 40.693 38.460 0.267 0.000 1.203 149 Y HN 0.495 nan 8.280 nan 0.000 0.453 150 Q N 1.967 121.992 119.800 0.375 0.000 2.325 150 Q HA 0.583 4.925 4.340 0.004 0.000 0.270 150 Q C -0.366 175.717 176.000 0.139 0.000 1.020 150 Q CA -0.796 55.121 55.803 0.190 0.000 0.785 150 Q CB 1.526 30.302 28.738 0.063 0.000 1.259 150 Q HN 0.983 nan 8.270 nan 0.000 0.452 151 G N 2.950 111.814 108.800 0.108 0.000 2.467 151 G HA2 0.093 4.056 3.960 0.004 0.000 0.257 151 G HA3 0.093 4.056 3.960 0.004 0.000 0.257 151 G C -0.614 174.309 174.900 0.039 0.000 1.227 151 G CA -0.485 44.673 45.100 0.096 0.000 0.835 151 G HN 0.735 nan 8.290 nan 0.000 0.556 152 K N 1.286 121.717 120.400 0.050 0.000 2.513 152 K HA -0.088 4.235 4.320 0.004 0.000 0.275 152 K C -0.463 176.141 176.600 0.007 0.000 1.025 152 K CA 0.480 56.788 56.287 0.034 0.000 1.125 152 K CB 0.035 32.561 32.500 0.042 0.000 0.843 152 K HN 0.449 nan 8.250 nan 0.000 0.486 153 N N 3.163 121.853 118.700 -0.015 0.000 2.518 153 N HA 0.233 4.975 4.740 0.004 0.000 0.254 153 N C -0.231 175.267 175.510 -0.019 0.000 0.979 153 N CA -0.353 52.678 53.050 -0.033 0.000 0.930 153 N CB 1.947 40.389 38.487 -0.075 0.000 1.152 153 N HN 0.749 nan 8.380 nan 0.000 0.505 154 G N 0.331 109.127 108.800 -0.007 0.000 3.008 154 G HA2 0.430 4.392 3.960 0.004 0.000 0.181 154 G HA3 0.430 4.392 3.960 0.004 0.000 0.181 154 G C -0.145 174.758 174.900 0.004 0.000 1.309 154 G CA -0.355 44.752 45.100 0.012 0.000 1.009 154 G HN 0.414 nan 8.290 nan 0.000 0.584 155 S N -1.009 114.702 115.700 0.019 0.000 2.632 155 S HA 0.506 4.978 4.470 0.004 0.000 0.267 155 S C 1.250 175.819 174.600 -0.052 0.000 1.276 155 S CA 0.220 58.428 58.200 0.013 0.000 0.998 155 S CB 1.574 64.811 63.200 0.062 0.000 0.953 155 S HN 1.180 nan 8.310 nan 0.000 0.547 156 A N 0.027 122.781 122.820 -0.110 0.000 2.119 156 A HA 0.168 4.491 4.320 0.004 0.000 0.216 156 A C 0.639 177.849 177.584 -0.624 0.000 1.152 156 A CA 0.536 52.360 52.037 -0.354 0.000 0.708 156 A CB -0.505 18.247 19.000 -0.413 0.000 0.805 156 A HN 0.845 nan 8.150 nan 0.000 0.460 157 H N -2.384 116.698 119.070 0.020 0.000 2.930 157 H HA 0.469 5.027 4.556 0.004 0.000 0.371 157 H C 0.764 176.098 175.328 0.009 0.000 1.169 157 H CA -0.193 55.863 56.048 0.014 0.000 1.157 157 H CB 1.057 30.828 29.762 0.016 0.000 1.789 157 H HN 0.585 nan 8.280 nan 0.000 0.547 158 G N 2.105 110.975 108.800 0.116 0.000 2.539 158 G HA2 -0.263 3.700 3.960 0.004 0.000 0.256 158 G HA3 -0.263 3.700 3.960 0.004 0.000 0.256 158 G C -0.332 174.564 174.900 -0.007 0.000 1.233 158 G CA -0.135 44.989 45.100 0.040 0.000 0.936 158 G HN 0.645 nan 8.290 nan 0.000 0.571 159 E N 1.173 121.336 120.200 -0.062 0.000 2.413 159 E HA 0.390 4.742 4.350 0.004 0.000 0.263 159 E C 1.194 177.771 176.600 -0.038 0.000 1.015 159 E CA 1.169 57.504 56.400 -0.108 0.000 0.916 159 E CB 0.307 29.840 29.700 -0.277 0.000 0.947 159 E HN 2.207 nan 8.360 nan 0.000 0.440 160 G N 2.869 111.656 108.800 -0.023 0.000 2.143 160 G HA2 -0.354 3.609 3.960 0.004 0.000 0.248 160 G HA3 -0.354 3.609 3.960 0.004 0.000 0.248 160 G C 0.211 175.125 174.900 0.022 0.000 0.991 160 G CA 0.314 45.429 45.100 0.025 0.000 0.689 160 G HN 0.514 nan 8.290 nan 0.000 0.522 161 M N 2.149 121.751 119.600 0.004 0.000 2.239 161 M HA 0.491 4.974 4.480 0.004 0.000 0.348 161 M C 0.987 177.281 176.300 -0.010 0.000 1.239 161 M CA 0.939 56.233 55.300 -0.010 0.000 1.114 161 M CB 0.515 33.105 32.600 -0.018 0.000 1.641 161 M HN 0.542 nan 8.290 nan 0.000 0.453 162 T N 0.213 114.756 114.554 -0.018 0.000 2.930 162 T HA 0.269 4.622 4.350 0.004 0.000 0.290 162 T C 0.702 175.387 174.700 -0.025 0.000 1.052 162 T CA -0.473 61.620 62.100 -0.013 0.000 1.017 162 T CB 1.548 70.413 68.868 -0.005 0.000 1.137 162 T HN 0.719 nan 8.240 nan 0.000 0.511 163 T N 0.914 115.460 114.554 -0.013 0.000 2.803 163 T HA -0.130 4.223 4.350 0.004 0.000 0.269 163 T C 1.226 175.915 174.700 -0.019 0.000 1.052 163 T CA 1.816 63.907 62.100 -0.014 0.000 1.136 163 T CB -0.854 68.014 68.868 0.001 0.000 0.864 163 T HN 0.795 nan 8.240 nan 0.000 0.467 164 N N 0.683 119.374 118.700 -0.016 0.000 2.380 164 N HA 0.239 4.982 4.740 0.004 0.000 0.255 164 N C 0.478 175.968 175.510 -0.034 0.000 1.158 164 N CA -0.261 52.777 53.050 -0.019 0.000 0.878 164 N CB -0.365 38.117 38.487 -0.009 0.000 1.138 164 N HN 0.319 nan 8.380 nan 0.000 0.509 165 G N 1.188 109.959 108.800 -0.049 0.000 2.554 165 G HA2 0.271 4.234 3.960 0.004 0.000 0.238 165 G HA3 0.271 4.234 3.960 0.004 0.000 0.238 165 G C 0.087 174.954 174.900 -0.056 0.000 1.259 165 G CA -0.434 44.633 45.100 -0.056 0.000 0.843 165 G HN 0.530 nan 8.290 nan 0.000 0.582 166 R N 1.303 121.781 120.500 -0.037 0.000 2.621 166 R HA 0.342 4.685 4.340 0.004 0.000 0.284 166 R C -1.123 175.177 176.300 -0.001 0.000 0.998 166 R CA -0.951 55.135 56.100 -0.024 0.000 0.895 166 R CB 1.477 31.762 30.300 -0.025 0.000 1.195 166 R HN 0.344 nan 8.270 nan 0.000 0.450 167 D N 0.216 120.627 120.400 0.018 0.000 2.323 167 D HA -0.062 4.581 4.640 0.004 0.000 0.209 167 D C -0.358 175.964 176.300 0.037 0.000 0.973 167 D CA 0.933 54.961 54.000 0.046 0.000 0.874 167 D CB 0.244 41.092 40.800 0.079 0.000 0.930 167 D HN 0.518 nan 8.370 nan 0.000 0.521 168 D N 0.844 121.261 120.400 0.028 0.000 2.342 168 D HA -0.028 4.615 4.640 0.004 0.000 0.260 168 D C 1.393 177.711 176.300 0.030 0.000 1.278 168 D CA -0.120 53.905 54.000 0.042 0.000 0.910 168 D CB 1.293 42.122 40.800 0.050 0.000 1.079 168 D HN -0.228 nan 8.370 nan 0.000 0.496 169 V N 4.485 124.389 119.914 -0.018 0.000 2.469 169 V HA -0.263 3.859 4.120 0.004 0.000 0.251 169 V C 1.755 177.832 176.094 -0.028 0.000 1.064 169 V CA 1.401 63.666 62.300 -0.057 0.000 1.066 169 V CB -0.607 31.122 31.823 -0.157 0.000 0.667 169 V HN 0.549 nan 8.190 nan 0.000 0.461 170 F N 0.182 120.176 119.950 0.073 0.000 2.604 170 F HA -0.033 4.497 4.527 0.005 0.000 0.298 170 F C 2.095 177.895 175.800 -0.000 0.000 1.131 170 F CA 0.983 59.024 58.000 0.068 0.000 1.457 170 F CB -0.212 38.713 39.000 -0.125 0.000 1.095 170 F HN 0.269 nan 8.300 nan 0.000 0.574 171 E N -0.848 119.404 120.200 0.086 0.000 2.501 171 E HA 0.078 4.430 4.350 0.004 0.000 0.201 171 E C 0.417 176.961 176.600 -0.093 0.000 1.016 171 E CA -0.113 56.270 56.400 -0.029 0.000 0.920 171 E CB 0.263 29.945 29.700 -0.030 0.000 1.023 171 E HN 0.434 nan 8.360 nan 0.000 0.474 172 Q N 1.370 121.117 119.800 -0.088 0.000 2.212 172 Q HA 0.318 4.660 4.340 0.004 0.000 0.238 172 Q C -0.143 175.747 176.000 -0.184 0.000 0.955 172 Q CA -0.488 55.261 55.803 -0.090 0.000 0.906 172 Q CB 1.095 29.823 28.738 -0.016 0.000 1.215 172 Q HN 0.128 nan 8.270 nan 0.000 0.478 173 N N -1.259 117.395 118.700 -0.078 0.000 2.859 173 N HA 0.321 5.063 4.740 0.004 0.000 0.250 173 N C -0.980 174.582 175.510 0.085 0.000 1.341 173 N CA -0.601 52.467 53.050 0.031 0.000 0.881 173 N CB 1.032 39.523 38.487 0.007 0.000 1.516 173 N HN 0.621 nan 8.380 nan 0.000 0.503 174 G N -0.280 108.607 108.800 0.145 0.000 2.532 174 G HA2 0.261 4.224 3.960 0.004 0.000 0.291 174 G HA3 0.261 4.224 3.960 0.004 0.000 0.291 174 G C -0.535 174.427 174.900 0.104 0.000 1.349 174 G CA -0.351 44.809 45.100 0.101 0.000 1.038 174 G HN 0.606 nan 8.290 nan 0.000 0.518 175 D N -0.230 120.225 120.400 0.092 0.000 2.488 175 D HA 0.421 5.064 4.640 0.004 0.000 0.238 175 D C 0.594 176.967 176.300 0.123 0.000 1.138 175 D CA 0.931 54.997 54.000 0.110 0.000 0.873 175 D CB 1.192 42.054 40.800 0.103 0.000 1.183 175 D HN 0.547 nan 8.370 nan 0.000 0.458 176 G N -0.220 108.674 108.800 0.157 0.000 2.660 176 G HA2 0.616 4.579 3.960 0.004 0.000 0.294 176 G HA3 0.616 4.579 3.960 0.004 0.000 0.294 176 G C -1.315 173.682 174.900 0.162 0.000 1.369 176 G CA -0.539 44.646 45.100 0.142 0.000 0.912 176 G HN 0.333 nan 8.290 nan 0.000 0.479 177 V N -0.575 119.387 119.914 0.081 0.000 2.888 177 V HA 0.973 5.096 4.120 0.004 0.000 0.309 177 V C 0.374 176.438 176.094 -0.050 0.000 1.114 177 V CA -0.086 62.206 62.300 -0.014 0.000 0.940 177 V CB 1.768 33.582 31.823 -0.015 0.000 1.021 177 V HN 1.435 nan 8.190 nan 0.000 0.426 178 G N 0.734 109.473 108.800 -0.103 0.000 2.677 178 G HA2 0.815 4.777 3.960 0.004 0.000 0.291 178 G HA3 0.815 4.777 3.960 0.004 0.000 0.291 178 G C -0.834 174.020 174.900 -0.077 0.000 1.435 178 G CA -0.082 44.971 45.100 -0.079 0.000 0.826 178 G HN 1.191 nan 8.290 nan 0.000 0.491 179 G N -1.023 107.751 108.800 -0.045 0.000 2.690 179 G HA2 0.841 4.804 3.960 0.004 0.000 0.291 179 G HA3 0.841 4.804 3.960 0.004 0.000 0.291 179 G C -0.718 174.187 174.900 0.009 0.000 1.403 179 G CA 0.253 45.356 45.100 0.005 0.000 0.864 179 G HN 1.731 nan 8.290 nan 0.000 0.480 180 S N -0.651 115.084 115.700 0.058 0.000 2.541 180 S HA 0.805 5.277 4.470 0.004 0.000 0.271 180 S C -1.067 173.609 174.600 0.128 0.000 1.133 180 S CA -0.810 57.415 58.200 0.042 0.000 0.876 180 S CB 1.732 64.921 63.200 -0.020 0.000 1.105 180 S HN 0.785 nan 8.310 nan 0.000 0.470 181 I N 1.928 122.562 120.570 0.106 0.000 2.619 181 I HA 0.634 4.806 4.170 0.004 0.000 0.292 181 I C -0.755 175.457 176.117 0.158 0.000 1.100 181 I CA -0.700 60.703 61.300 0.171 0.000 1.043 181 I CB 2.480 40.558 38.000 0.131 0.000 1.239 181 I HN 0.960 nan 8.210 nan 0.000 0.420 182 T N 1.355 116.047 114.554 0.230 0.000 2.952 182 T HA 0.549 4.902 4.350 0.004 0.000 0.305 182 T C -1.489 173.421 174.700 0.349 0.000 1.064 182 T CA -0.767 61.511 62.100 0.298 0.000 1.008 182 T CB 2.113 71.185 68.868 0.341 0.000 1.078 182 T HN 0.474 nan 8.240 nan 0.000 0.459 183 Y N 2.442 122.876 120.300 0.225 0.000 2.338 183 Y HA 0.591 5.143 4.550 0.004 0.000 0.333 183 Y C -1.043 174.961 175.900 0.173 0.000 0.968 183 Y CA -1.219 56.984 58.100 0.172 0.000 1.123 183 Y CB 1.656 40.192 38.460 0.125 0.000 1.165 183 Y HN 0.797 nan 8.280 nan 0.000 0.452 184 N N 5.501 123.908 118.700 -0.488 0.000 2.354 184 N HA 0.238 4.980 4.740 0.004 0.000 0.287 184 N C -2.210 173.005 175.510 -0.491 0.000 1.016 184 N CA -0.459 52.369 53.050 -0.369 0.000 0.871 184 N CB 2.198 40.557 38.487 -0.214 0.000 1.299 184 N HN 0.671 nan 8.380 nan 0.000 0.482 185 Y N 1.512 121.577 120.300 -0.391 0.000 2.361 185 Y HA 0.114 4.667 4.550 0.004 0.000 0.328 185 Y C -0.099 175.810 175.900 0.016 0.000 1.044 185 Y CA -0.509 57.469 58.100 -0.204 0.000 1.085 185 Y CB 0.821 39.216 38.460 -0.108 0.000 1.194 185 Y HN 0.511 nan 8.280 nan 0.000 0.438 186 E N 4.348 124.239 120.200 -0.515 0.000 2.328 186 E HA -0.277 4.076 4.350 0.004 0.000 0.233 186 E C 1.073 177.564 176.600 -0.182 0.000 1.219 186 E CA 1.607 57.785 56.400 -0.369 0.000 0.717 186 E CB -1.305 28.146 29.700 -0.415 0.000 1.210 186 E HN 1.320 nan 8.360 nan 0.000 0.381 187 G N -1.223 107.410 108.800 -0.278 0.000 2.241 187 G HA2 -0.344 3.619 3.960 0.004 0.000 0.244 187 G HA3 -0.344 3.619 3.960 0.004 0.000 0.244 187 G C 0.144 174.724 174.900 -0.533 0.000 0.998 187 G CA 0.205 45.000 45.100 -0.508 0.000 0.621 187 G HN 0.231 nan 8.290 nan 0.000 0.519 188 F N 1.472 121.353 119.950 -0.116 0.000 2.384 188 F HA 0.591 5.120 4.527 0.004 0.000 0.338 188 F C 1.037 176.766 175.800 -0.118 0.000 1.103 188 F CA 0.413 58.404 58.000 -0.015 0.000 1.157 188 F CB 1.866 40.935 39.000 0.116 0.000 1.167 188 F HN 0.285 nan 8.300 nan 0.000 0.529 189 G N 3.585 112.404 108.800 0.033 0.000 2.687 189 G HA2 0.701 4.664 3.960 0.004 0.000 0.301 189 G HA3 0.701 4.664 3.960 0.004 0.000 0.301 189 G C -1.455 173.546 174.900 0.167 0.000 1.416 189 G CA -0.576 44.467 45.100 -0.094 0.000 1.005 189 G HN 0.553 nan 8.290 nan 0.000 0.509 190 I N 0.998 121.781 120.570 0.355 0.000 2.646 190 I HA 0.870 5.042 4.170 0.004 0.000 0.299 190 I C 0.434 176.853 176.117 0.504 0.000 1.036 190 I CA -0.944 60.614 61.300 0.429 0.000 1.074 190 I CB 2.710 40.890 38.000 0.300 0.000 1.258 190 I HN 0.702 nan 8.210 nan 0.000 0.430 191 G N 2.831 111.830 108.800 0.330 0.000 2.673 191 G HA2 0.789 4.751 3.960 0.004 0.000 0.292 191 G HA3 0.789 4.751 3.960 0.004 0.000 0.292 191 G C -2.160 172.732 174.900 -0.014 0.000 1.450 191 G CA -0.529 44.633 45.100 0.104 0.000 0.837 191 G HN 0.877 nan 8.290 nan 0.000 0.505 192 A N -0.744 122.060 122.820 -0.027 0.000 2.549 192 A HA 1.075 5.397 4.320 0.004 0.000 0.297 192 A C -0.479 177.083 177.584 -0.037 0.000 1.061 192 A CA 0.009 52.038 52.037 -0.013 0.000 0.690 192 A CB 1.734 20.760 19.000 0.043 0.000 1.287 192 A HN 2.507 nan 8.150 nan 0.000 0.402 193 A N 0.621 123.418 122.820 -0.038 0.000 2.547 193 A HA 0.755 5.078 4.320 0.004 0.000 0.297 193 A C -1.398 176.159 177.584 -0.044 0.000 1.056 193 A CA -0.449 51.555 52.037 -0.055 0.000 0.688 193 A CB 1.446 20.376 19.000 -0.116 0.000 1.282 193 A HN 1.652 nan 8.150 nan 0.000 0.400 194 V N 1.398 121.272 119.914 -0.066 0.000 2.789 194 V HA 0.858 4.981 4.120 0.004 0.000 0.311 194 V C -0.016 175.979 176.094 -0.165 0.000 1.073 194 V CA -0.122 62.091 62.300 -0.145 0.000 0.921 194 V CB 2.068 33.849 31.823 -0.071 0.000 1.009 194 V HN 1.457 nan 8.190 nan 0.000 0.426 195 S N 1.642 117.194 115.700 -0.247 0.000 2.588 195 S HA 0.854 5.327 4.470 0.004 0.000 0.275 195 S C -0.842 173.632 174.600 -0.208 0.000 1.130 195 S CA -0.711 57.390 58.200 -0.164 0.000 0.855 195 S CB 2.103 65.248 63.200 -0.092 0.000 1.116 195 S HN 0.953 nan 8.310 nan 0.000 0.472 196 S N 0.979 116.605 115.700 -0.124 0.000 2.706 196 S HA 0.663 5.135 4.470 0.004 0.000 0.270 196 S C -1.400 173.159 174.600 -0.067 0.000 1.163 196 S CA -0.418 57.708 58.200 -0.123 0.000 1.042 196 S CB 0.798 63.942 63.200 -0.092 0.000 1.079 196 S HN 0.786 nan 8.310 nan 0.000 0.474 197 S N 3.745 119.374 115.700 -0.118 0.000 2.500 197 S HA 0.471 4.943 4.470 0.004 0.000 0.301 197 S C -0.537 174.000 174.600 -0.104 0.000 1.092 197 S CA -0.833 57.339 58.200 -0.047 0.000 1.030 197 S CB 1.585 64.822 63.200 0.062 0.000 1.031 197 S HN 0.740 nan 8.310 nan 0.000 0.483 198 K N 1.751 122.144 120.400 -0.011 0.000 2.382 198 K HA 0.208 4.531 4.320 0.004 0.000 0.275 198 K C -0.139 176.467 176.600 0.011 0.000 1.009 198 K CA -0.058 56.220 56.287 -0.014 0.000 0.970 198 K CB 0.495 33.012 32.500 0.028 0.000 0.934 198 K HN 0.499 nan 8.250 nan 0.000 0.479 199 R N 1.050 121.528 120.500 -0.037 0.000 2.457 199 R HA 0.140 4.483 4.340 0.004 0.000 0.284 199 R C 0.075 176.393 176.300 0.029 0.000 1.024 199 R CA -0.463 55.629 56.100 -0.013 0.000 1.025 199 R CB 1.360 31.564 30.300 -0.160 0.000 1.063 199 R HN 0.726 nan 8.270 nan 0.000 0.493 200 T N -2.088 112.499 114.554 0.055 0.000 2.816 200 T HA 0.036 4.388 4.350 0.004 0.000 0.282 200 T C 0.875 175.643 174.700 0.113 0.000 0.993 200 T CA -0.687 61.471 62.100 0.097 0.000 0.994 200 T CB 0.807 69.736 68.868 0.102 0.000 1.025 200 T HN 0.766 nan 8.240 nan 0.000 0.529 201 W N 0.902 122.206 121.300 0.007 0.000 2.355 201 W HA -0.046 4.615 4.660 0.002 0.000 0.309 201 W C 1.686 178.215 176.519 0.017 0.000 1.206 201 W CA 1.701 59.052 57.345 0.010 0.000 1.284 201 W CB -0.439 29.028 29.460 0.013 0.000 1.145 201 W HN 0.835 nan 8.180 nan 0.000 0.502 202 D N -0.368 120.184 120.400 0.253 0.000 2.123 202 D HA -0.251 4.392 4.640 0.004 0.000 0.196 202 D C 2.080 178.366 176.300 -0.023 0.000 0.992 202 D CA 1.778 55.851 54.000 0.121 0.000 0.833 202 D CB -0.559 40.333 40.800 0.155 0.000 0.954 202 D HN 0.343 nan 8.370 nan 0.000 0.455 203 Q N -0.416 119.385 119.800 0.001 0.000 2.167 203 Q HA -0.049 4.293 4.340 0.004 0.000 0.202 203 Q C 1.133 177.105 176.000 -0.048 0.000 0.970 203 Q CA 0.773 56.589 55.803 0.022 0.000 0.855 203 Q CB 0.120 28.802 28.738 -0.093 0.000 0.911 203 Q HN 0.229 nan 8.270 nan 0.000 0.438 204 N N -0.139 118.456 118.700 -0.176 0.000 2.280 204 N HA 0.034 4.777 4.740 0.004 0.000 0.192 204 N C 0.045 175.356 175.510 -0.332 0.000 1.109 204 N CA 0.382 53.300 53.050 -0.220 0.000 0.855 204 N CB 0.538 38.887 38.487 -0.231 0.000 0.974 204 N HN 0.189 nan 8.380 nan 0.000 0.482 205 N N -0.318 118.108 118.700 -0.458 0.000 2.387 205 N HA 0.055 4.798 4.740 0.004 0.000 0.259 205 N C -0.086 175.227 175.510 -0.328 0.000 1.369 205 N CA 0.229 52.919 53.050 -0.600 0.000 0.867 205 N CB 1.041 38.617 38.487 -1.519 0.000 1.341 205 N HN 0.116 nan 8.380 nan 0.000 0.495 206 T N -3.262 111.195 114.554 -0.161 0.000 3.266 206 T HA 0.320 4.672 4.350 0.004 0.000 0.278 206 T C 1.140 175.818 174.700 -0.037 0.000 1.010 206 T CA 0.124 62.182 62.100 -0.070 0.000 0.909 206 T CB 0.382 69.224 68.868 -0.042 0.000 1.122 206 T HN 0.183 nan 8.240 nan 0.000 0.536 207 G N 1.552 110.329 108.800 -0.039 0.000 2.160 207 G HA2 -0.228 3.735 3.960 0.004 0.000 0.251 207 G HA3 -0.228 3.735 3.960 0.004 0.000 0.251 207 G C -0.065 174.852 174.900 0.028 0.000 1.008 207 G CA 0.323 45.420 45.100 -0.004 0.000 0.724 207 G HN 0.672 nan 8.290 nan 0.000 0.514 208 L N 0.400 121.651 121.223 0.046 0.000 2.439 208 L HA 0.675 5.018 4.340 0.004 0.000 0.259 208 L C 1.606 178.569 176.870 0.155 0.000 1.129 208 L CA -1.278 53.614 54.840 0.086 0.000 0.803 208 L CB 0.811 42.894 42.059 0.040 0.000 1.161 208 L HN 0.339 nan 8.230 nan 0.000 0.462 209 I N -1.338 119.341 120.570 0.181 0.000 2.823 209 I HA 0.543 4.715 4.170 0.004 0.000 0.290 209 I C 0.904 177.216 176.117 0.324 0.000 1.091 209 I CA -0.234 61.197 61.300 0.217 0.000 1.365 209 I CB 0.747 38.880 38.000 0.222 0.000 1.427 209 I HN 0.764 nan 8.210 nan 0.000 0.583 210 G N 2.803 111.764 108.800 0.270 0.000 2.289 210 G HA2 -0.200 3.763 3.960 0.004 0.000 0.280 210 G HA3 -0.200 3.763 3.960 0.004 0.000 0.280 210 G C 0.044 175.075 174.900 0.218 0.000 1.089 210 G CA 0.206 45.478 45.100 0.287 0.000 0.939 210 G HN 1.268 nan 8.290 nan 0.000 0.499 211 T N -1.858 112.772 114.554 0.126 0.000 2.902 211 T HA 0.966 5.318 4.350 0.004 0.000 0.280 211 T C 0.719 175.404 174.700 -0.025 0.000 0.992 211 T CA 0.190 62.297 62.100 0.011 0.000 1.015 211 T CB 2.830 71.701 68.868 0.005 0.000 1.044 211 T HN 2.149 nan 8.240 nan 0.000 0.520 212 G N -0.216 108.537 108.800 -0.078 0.000 2.337 212 G HA2 0.172 4.135 3.960 0.004 0.000 0.298 212 G HA3 0.172 4.135 3.960 0.004 0.000 0.298 212 G C -0.087 174.755 174.900 -0.098 0.000 1.335 212 G CA -0.111 44.949 45.100 -0.067 0.000 0.875 212 G HN 0.626 nan 8.290 nan 0.000 0.579 213 D N -0.409 119.947 120.400 -0.073 0.000 2.178 213 D HA -0.021 4.622 4.640 0.004 0.000 0.201 213 D C 0.699 176.940 176.300 -0.099 0.000 0.980 213 D CA 1.021 54.981 54.000 -0.065 0.000 0.842 213 D CB 0.215 40.991 40.800 -0.041 0.000 0.948 213 D HN 0.365 nan 8.370 nan 0.000 0.472 214 R N -0.963 119.455 120.500 -0.138 0.000 2.698 214 R HA 0.610 4.952 4.340 0.004 0.000 0.275 214 R C -1.087 175.043 176.300 -0.283 0.000 1.001 214 R CA -0.723 55.265 56.100 -0.187 0.000 0.896 214 R CB 2.363 32.586 30.300 -0.128 0.000 1.218 214 R HN -0.136 nan 8.270 nan 0.000 0.462 215 A N 2.243 124.776 122.820 -0.478 0.000 2.276 215 A HA 0.497 4.819 4.320 0.004 0.000 0.316 215 A C -0.668 176.679 177.584 -0.395 0.000 1.229 215 A CA -0.429 51.225 52.037 -0.638 0.000 0.851 215 A CB 0.729 18.753 19.000 -1.625 0.000 1.165 215 A HN 0.723 nan 8.150 nan 0.000 0.513 216 E N 0.694 120.776 120.200 -0.197 0.000 2.293 216 E HA 0.617 4.969 4.350 0.004 0.000 0.270 216 E C -0.926 175.601 176.600 -0.122 0.000 0.879 216 E CA -0.729 55.574 56.400 -0.162 0.000 0.756 216 E CB 2.482 32.139 29.700 -0.071 0.000 1.208 216 E HN 0.733 nan 8.360 nan 0.000 0.428 217 T N -0.643 113.695 114.554 -0.360 0.000 2.933 217 T HA 0.611 4.963 4.350 0.004 0.000 0.305 217 T C -1.399 172.949 174.700 -0.586 0.000 1.092 217 T CA -0.689 61.241 62.100 -0.282 0.000 1.008 217 T CB 0.620 69.406 68.868 -0.136 0.000 1.102 217 T HN 0.372 nan 8.240 nan 0.000 0.469 218 Y N 0.513 120.835 120.300 0.038 0.000 2.373 218 Y HA 0.630 5.182 4.550 0.004 0.000 0.336 218 Y C 0.212 176.112 175.900 0.000 0.000 0.979 218 Y CA -0.862 57.258 58.100 0.034 0.000 1.080 218 Y CB 2.786 41.297 38.460 0.085 0.000 1.190 218 Y HN 0.783 nan 8.280 nan 0.000 0.446 219 T N 2.226 116.844 114.554 0.107 0.000 2.881 219 T HA 0.694 5.046 4.350 0.004 0.000 0.290 219 T C -0.118 174.619 174.700 0.061 0.000 1.000 219 T CA -0.903 61.217 62.100 0.034 0.000 0.978 219 T CB 1.656 70.480 68.868 -0.073 0.000 0.997 219 T HN 0.883 nan 8.240 nan 0.000 0.443 220 G N 0.524 109.393 108.800 0.115 0.000 2.482 220 G HA2 0.777 4.739 3.960 0.004 0.000 0.317 220 G HA3 0.777 4.739 3.960 0.004 0.000 0.317 220 G C -0.661 174.299 174.900 0.100 0.000 1.241 220 G CA -0.876 44.292 45.100 0.114 0.000 0.967 220 G HN 0.952 nan 8.290 nan 0.000 0.482 221 G N -0.635 108.214 108.800 0.082 0.000 2.720 221 G HA2 0.631 4.593 3.960 0.004 0.000 0.295 221 G HA3 0.631 4.593 3.960 0.004 0.000 0.295 221 G C -1.564 173.556 174.900 0.367 0.000 1.437 221 G CA -0.642 44.538 45.100 0.134 0.000 0.886 221 G HN 0.695 nan 8.290 nan 0.000 0.509 222 L N 0.394 121.887 121.223 0.450 0.000 2.434 222 L HA 0.766 5.109 4.340 0.004 0.000 0.260 222 L C -0.527 176.494 176.870 0.252 0.000 0.983 222 L CA -0.989 54.083 54.840 0.385 0.000 0.820 222 L CB 3.015 45.221 42.059 0.246 0.000 1.361 222 L HN 0.847 nan 8.230 nan 0.000 0.410 223 K N 1.160 121.563 120.400 0.005 0.000 2.562 223 K HA 0.516 4.839 4.320 0.004 0.000 0.267 223 K C -2.128 174.318 176.600 -0.256 0.000 0.938 223 K CA -0.930 55.193 56.287 -0.273 0.000 0.840 223 K CB 2.394 34.502 32.500 -0.655 0.000 1.390 223 K HN 0.398 nan 8.250 nan 0.000 0.428 224 Y N 1.626 121.632 120.300 -0.490 0.000 2.350 224 Y HA 0.426 4.978 4.550 0.004 0.000 0.338 224 Y C -1.601 173.958 175.900 -0.568 0.000 0.961 224 Y CA -0.629 57.143 58.100 -0.547 0.000 1.100 224 Y CB 2.047 40.207 38.460 -0.500 0.000 1.179 224 Y HN 0.865 nan 8.280 nan 0.000 0.454 225 D N 5.091 124.862 120.400 -1.050 0.000 2.429 225 D HA 0.636 5.279 4.640 0.004 0.000 0.255 225 D C -1.498 174.357 176.300 -0.742 0.000 1.257 225 D CA 0.151 53.757 54.000 -0.658 0.000 0.890 225 D CB 0.379 40.973 40.800 -0.343 0.000 1.267 225 D HN 0.822 nan 8.370 nan 0.000 0.521 226 A N 2.125 124.447 122.820 -0.830 0.000 2.540 226 A HA 0.550 4.872 4.320 0.004 0.000 0.291 226 A C -0.318 177.087 177.584 -0.298 0.000 1.083 226 A CA -0.729 50.979 52.037 -0.549 0.000 0.650 226 A CB 0.644 19.277 19.000 -0.612 0.000 1.292 226 A HN 0.220 nan 8.150 nan 0.000 0.435 227 N N 1.436 120.033 118.700 -0.173 0.000 2.708 227 N HA -0.228 4.515 4.740 0.004 0.000 0.251 227 N C 0.176 175.630 175.510 -0.094 0.000 1.017 227 N CA 1.356 54.362 53.050 -0.073 0.000 0.742 227 N CB -0.954 37.553 38.487 0.034 0.000 0.943 227 N HN 0.826 nan 8.380 nan 0.000 0.539 228 N N -2.325 116.246 118.700 -0.215 0.000 2.900 228 N HA -0.229 4.513 4.740 0.004 0.000 0.240 228 N C -0.103 175.179 175.510 -0.381 0.000 0.953 228 N CA 1.386 54.195 53.050 -0.403 0.000 0.950 228 N CB -1.112 36.978 38.487 -0.661 0.000 1.102 228 N HN 0.602 nan 8.380 nan 0.000 0.593 229 I N 0.522 121.034 120.570 -0.097 0.000 2.359 229 I HA 0.254 4.427 4.170 0.004 0.000 0.294 229 I C -0.218 175.924 176.117 0.042 0.000 0.987 229 I CA -0.750 60.600 61.300 0.083 0.000 1.225 229 I CB 1.129 39.272 38.000 0.238 0.000 1.366 229 I HN -0.034 nan 8.210 nan 0.000 0.466 230 Y N 7.233 127.505 120.300 -0.048 0.000 2.338 230 Y HA 0.646 5.199 4.550 0.004 0.000 0.328 230 Y C -1.376 174.524 175.900 0.000 0.000 0.965 230 Y CA -0.619 57.434 58.100 -0.079 0.000 1.208 230 Y CB 1.051 39.442 38.460 -0.115 0.000 1.132 230 Y HN 0.368 nan 8.280 nan 0.000 0.469 231 L N 5.761 126.747 121.223 -0.395 0.000 2.365 231 L HA 0.989 5.332 4.340 0.004 0.000 0.273 231 L C -0.749 175.863 176.870 -0.429 0.000 1.000 231 L CA -0.978 53.722 54.840 -0.234 0.000 0.819 231 L CB 1.939 43.964 42.059 -0.057 0.000 1.284 231 L HN 0.735 nan 8.230 nan 0.000 0.418 232 A N 2.472 125.179 122.820 -0.189 0.000 2.589 232 A HA 0.946 5.268 4.320 0.004 0.000 0.296 232 A C -1.601 176.009 177.584 0.043 0.000 1.062 232 A CA -0.291 51.697 52.037 -0.083 0.000 0.686 232 A CB 1.954 20.925 19.000 -0.048 0.000 1.282 232 A HN 0.809 nan 8.150 nan 0.000 0.404 233 A N 1.057 123.938 122.820 0.101 0.000 2.488 233 A HA 0.801 5.124 4.320 0.004 0.000 0.298 233 A C -1.010 176.637 177.584 0.104 0.000 1.044 233 A CA -0.351 51.717 52.037 0.051 0.000 0.693 233 A CB 1.611 20.710 19.000 0.164 0.000 1.272 233 A HN 1.899 nan 8.150 nan 0.000 0.402 234 Q N 0.523 120.315 119.800 -0.012 0.000 2.347 234 Q HA 0.687 5.030 4.340 0.004 0.000 0.271 234 Q C -1.688 174.419 176.000 0.177 0.000 1.064 234 Q CA -0.617 55.229 55.803 0.071 0.000 0.800 234 Q CB 1.741 30.474 28.738 -0.009 0.000 1.304 234 Q HN 0.824 nan 8.270 nan 0.000 0.438 235 Y N 1.306 121.710 120.300 0.174 0.000 2.341 235 Y HA 0.724 5.276 4.550 0.004 0.000 0.338 235 Y C -1.292 174.692 175.900 0.140 0.000 0.965 235 Y CA -0.374 57.872 58.100 0.244 0.000 1.108 235 Y CB 2.337 40.962 38.460 0.275 0.000 1.180 235 Y HN 0.829 nan 8.280 nan 0.000 0.458 236 T N 6.325 120.525 114.554 -0.589 0.000 2.881 236 T HA 0.289 4.642 4.350 0.004 0.000 0.290 236 T C -1.366 172.992 174.700 -0.569 0.000 1.000 236 T CA -0.704 61.156 62.100 -0.401 0.000 0.978 236 T CB 1.506 70.278 68.868 -0.160 0.000 0.997 236 T HN 0.644 nan 8.240 nan 0.000 0.443 237 Q N 2.151 121.800 119.800 -0.252 0.000 2.322 237 Q HA 0.621 4.964 4.340 0.004 0.000 0.265 237 Q C -0.551 175.454 176.000 0.008 0.000 0.985 237 Q CA -0.635 55.094 55.803 -0.123 0.000 0.849 237 Q CB 1.062 29.857 28.738 0.094 0.000 1.274 237 Q HN 0.816 nan 8.270 nan 0.000 0.449 238 T N 0.363 114.821 114.554 -0.160 0.000 2.908 238 T HA 0.623 4.976 4.350 0.004 0.000 0.290 238 T C -1.170 173.330 174.700 -0.333 0.000 1.034 238 T CA -0.508 61.540 62.100 -0.087 0.000 1.010 238 T CB 0.881 69.738 68.868 -0.019 0.000 1.068 238 T HN 0.409 nan 8.240 nan 0.000 0.481 239 Y N 1.074 121.395 120.300 0.035 0.000 2.346 239 Y HA 0.444 4.996 4.550 0.004 0.000 0.332 239 Y C 0.569 176.432 175.900 -0.061 0.000 0.985 239 Y CA -1.197 56.914 58.100 0.017 0.000 1.112 239 Y CB 1.471 39.949 38.460 0.031 0.000 1.170 239 Y HN 0.796 nan 8.280 nan 0.000 0.447 240 N N 0.951 119.703 118.700 0.087 0.000 2.708 240 N HA -0.239 4.503 4.740 0.004 0.000 0.249 240 N C 0.344 175.753 175.510 -0.168 0.000 1.097 240 N CA 1.143 54.174 53.050 -0.032 0.000 0.710 240 N CB -0.924 37.471 38.487 -0.154 0.000 1.032 240 N HN 0.826 nan 8.380 nan 0.000 0.551 241 A N -1.794 121.060 122.820 0.056 0.000 2.048 241 A HA 0.207 4.529 4.320 0.004 0.000 0.197 241 A C 0.728 178.586 177.584 0.456 0.000 1.486 241 A CA 0.581 52.695 52.037 0.129 0.000 1.029 241 A CB 0.499 19.505 19.000 0.010 0.000 1.101 241 A HN 0.155 nan 8.150 nan 0.000 0.470 242 T N 1.544 116.327 114.554 0.382 0.000 2.744 242 T HA 0.387 4.740 4.350 0.004 0.000 0.291 242 T C 0.031 174.955 174.700 0.373 0.000 0.957 242 T CA -0.351 61.947 62.100 0.329 0.000 1.002 242 T CB 0.955 69.932 68.868 0.181 0.000 0.919 242 T HN 0.418 nan 8.240 nan 0.000 0.468 243 R N 2.661 123.323 120.500 0.269 0.000 2.491 243 R HA 0.331 4.673 4.340 0.004 0.000 0.283 243 R C -0.900 175.381 176.300 -0.031 0.000 1.072 243 R CA -0.200 55.917 56.100 0.028 0.000 1.048 243 R CB 0.347 30.555 30.300 -0.153 0.000 0.983 243 R HN 0.406 nan 8.270 nan 0.000 0.450 244 V N 6.106 125.971 119.914 -0.082 0.000 2.225 244 V HA 0.277 4.399 4.120 0.004 0.000 0.264 244 V C 1.072 177.035 176.094 -0.218 0.000 1.067 244 V CA 0.267 62.534 62.300 -0.055 0.000 0.903 244 V CB -0.006 31.867 31.823 0.083 0.000 1.136 244 V HN 1.206 nan 8.190 nan 0.000 0.456 245 G N 4.093 112.723 108.800 -0.283 0.000 2.611 245 G HA2 -0.353 3.609 3.960 0.004 0.000 0.301 245 G HA3 -0.353 3.609 3.960 0.004 0.000 0.301 245 G C 1.152 175.787 174.900 -0.441 0.000 1.233 245 G CA 0.783 45.677 45.100 -0.344 0.000 0.993 245 G HN 1.225 nan 8.290 nan 0.000 0.553 246 S N 0.017 115.522 115.700 -0.325 0.000 2.593 246 S HA 0.357 4.830 4.470 0.004 0.000 0.217 246 S C 2.264 176.818 174.600 -0.077 0.000 0.966 246 S CA 1.072 59.131 58.200 -0.236 0.000 0.914 246 S CB 0.202 63.311 63.200 -0.150 0.000 0.776 246 S HN 0.576 nan 8.310 nan 0.000 0.523 247 L N 0.845 122.008 121.223 -0.101 0.000 2.179 247 L HA 0.310 4.653 4.340 0.004 0.000 0.208 247 L C 1.681 178.585 176.870 0.058 0.000 1.096 247 L CA 0.802 55.639 54.840 -0.006 0.000 0.779 247 L CB -0.631 41.413 42.059 -0.024 0.000 0.922 247 L HN 0.677 nan 8.230 nan 0.000 0.443 248 G N -1.990 106.838 108.800 0.046 0.000 2.295 248 G HA2 -0.083 3.879 3.960 0.004 0.000 0.155 248 G HA3 -0.083 3.879 3.960 0.004 0.000 0.155 248 G C -1.717 173.122 174.900 -0.101 0.000 1.307 248 G CA -0.692 44.361 45.100 -0.079 0.000 1.140 248 G HN -0.029 nan 8.290 nan 0.000 0.470 249 W N 0.336 121.785 121.300 0.250 0.000 2.894 249 W HA 0.721 5.383 4.660 0.004 0.000 0.345 249 W C 0.234 176.843 176.519 0.151 0.000 1.152 249 W CA -0.340 57.135 57.345 0.216 0.000 1.089 249 W CB 1.975 31.567 29.460 0.219 0.000 1.454 249 W HN 0.967 nan 8.180 nan 0.000 0.589 250 A N 1.745 124.784 122.820 0.365 0.000 2.289 250 A HA 0.200 4.522 4.320 0.004 0.000 0.298 250 A C 0.934 178.618 177.584 0.168 0.000 1.208 250 A CA -0.382 51.783 52.037 0.213 0.000 0.845 250 A CB 0.241 19.321 19.000 0.133 0.000 1.125 250 A HN 0.653 nan 8.150 nan 0.000 0.517 251 N N 1.061 119.849 118.700 0.146 0.000 2.091 251 N HA -0.137 4.606 4.740 0.004 0.000 0.193 251 N C 0.477 176.036 175.510 0.080 0.000 1.021 251 N CA 1.563 54.689 53.050 0.128 0.000 0.862 251 N CB -0.021 38.538 38.487 0.119 0.000 1.018 251 N HN 0.771 nan 8.380 nan 0.000 0.429 252 K N -0.407 119.987 120.400 -0.010 0.000 2.501 252 K HA 0.581 4.903 4.320 0.004 0.000 0.252 252 K C -1.950 174.568 176.600 -0.136 0.000 0.934 252 K CA -0.553 55.604 56.287 -0.216 0.000 0.797 252 K CB 2.205 34.576 32.500 -0.215 0.000 1.270 252 K HN -0.025 nan 8.250 nan 0.000 0.431 253 A N 3.407 126.116 122.820 -0.186 0.000 2.414 253 A HA 0.468 4.791 4.320 0.004 0.000 0.306 253 A C -1.522 175.994 177.584 -0.114 0.000 1.054 253 A CA -0.721 51.263 52.037 -0.088 0.000 0.724 253 A CB 1.677 20.665 19.000 -0.020 0.000 1.267 253 A HN 0.706 nan 8.150 nan 0.000 0.418 254 Q N 1.806 121.579 119.800 -0.045 0.000 2.348 254 Q HA 0.376 4.718 4.340 0.004 0.000 0.265 254 Q C -1.169 174.826 176.000 -0.009 0.000 0.998 254 Q CA -0.715 55.072 55.803 -0.027 0.000 0.831 254 Q CB 1.607 30.435 28.738 0.150 0.000 1.251 254 Q HN 0.682 nan 8.270 nan 0.000 0.456 255 N N 2.446 121.058 118.700 -0.146 0.000 2.372 255 N HA 0.516 5.259 4.740 0.004 0.000 0.291 255 N C -1.526 174.032 175.510 0.081 0.000 1.024 255 N CA -0.302 52.730 53.050 -0.029 0.000 0.873 255 N CB 1.552 40.015 38.487 -0.040 0.000 1.206 255 N HN 0.447 nan 8.380 nan 0.000 0.486 256 F N 0.720 120.689 119.950 0.030 0.000 2.581 256 F HA 0.413 4.942 4.527 0.004 0.000 0.311 256 F C -1.052 174.777 175.800 0.048 0.000 1.113 256 F CA -0.606 57.472 58.000 0.130 0.000 0.935 256 F CB 1.628 40.786 39.000 0.263 0.000 1.232 256 F HN 0.345 nan 8.300 nan 0.000 0.445 257 E N 4.396 124.122 120.200 -0.790 0.000 2.275 257 E HA 0.747 5.099 4.350 0.004 0.000 0.270 257 E C -1.560 174.583 176.600 -0.760 0.000 0.882 257 E CA -1.219 54.823 56.400 -0.596 0.000 0.758 257 E CB 2.177 31.728 29.700 -0.248 0.000 1.195 257 E HN 0.726 nan 8.360 nan 0.000 0.419 258 A N 1.939 124.498 122.820 -0.436 0.000 2.475 258 A HA 0.802 5.124 4.320 0.004 0.000 0.301 258 A C -1.165 176.419 177.584 0.000 0.000 1.059 258 A CA -0.650 51.281 52.037 -0.177 0.000 0.710 258 A CB 1.553 20.550 19.000 -0.003 0.000 1.288 258 A HN 0.294 nan 8.150 nan 0.000 0.408 259 V N 0.073 120.020 119.914 0.056 0.000 2.851 259 V HA 0.806 4.929 4.120 0.004 0.000 0.307 259 V C -0.076 176.093 176.094 0.125 0.000 1.129 259 V CA -0.262 62.105 62.300 0.112 0.000 0.932 259 V CB 1.604 33.530 31.823 0.171 0.000 1.024 259 V HN 1.642 nan 8.190 nan 0.000 0.426 260 A N 3.868 126.769 122.820 0.134 0.000 2.356 260 A HA 0.921 5.243 4.320 0.004 0.000 0.310 260 A C -0.862 176.815 177.584 0.156 0.000 1.075 260 A CA -0.552 51.564 52.037 0.132 0.000 0.746 260 A CB 1.797 20.856 19.000 0.099 0.000 1.221 260 A HN 0.808 nan 8.150 nan 0.000 0.443 261 Q N 0.194 120.102 119.800 0.180 0.000 2.416 261 Q HA 0.531 4.873 4.340 0.004 0.000 0.281 261 Q C -2.116 173.984 176.000 0.167 0.000 1.067 261 Q CA -0.617 55.283 55.803 0.162 0.000 0.809 261 Q CB 2.976 31.795 28.738 0.134 0.000 1.418 261 Q HN 0.743 nan 8.270 nan 0.000 0.411 262 Y N 0.831 121.107 120.300 -0.039 0.000 2.492 262 Y HA 0.352 4.904 4.550 0.004 0.000 0.346 262 Y C -1.387 174.384 175.900 -0.215 0.000 0.997 262 Y CA -0.630 57.368 58.100 -0.168 0.000 1.025 262 Y CB 2.246 40.531 38.460 -0.292 0.000 1.263 262 Y HN 0.550 nan 8.280 nan 0.000 0.454 263 Q N 5.009 124.234 119.800 -0.958 0.000 2.413 263 Q HA 0.414 4.756 4.340 0.004 0.000 0.258 263 Q C -1.949 173.573 176.000 -0.796 0.000 1.037 263 Q CA -0.346 55.079 55.803 -0.629 0.000 0.764 263 Q CB 0.199 28.656 28.738 -0.468 0.000 1.217 263 Q HN 0.534 nan 8.270 nan 0.000 0.490 264 F N 2.470 122.206 119.950 -0.358 0.000 2.529 264 F HA 0.055 4.585 4.527 0.004 0.000 0.365 264 F C 1.343 176.908 175.800 -0.391 0.000 1.102 264 F CA 0.082 57.889 58.000 -0.321 0.000 1.271 264 F CB 0.696 39.315 39.000 -0.636 0.000 1.120 264 F HN 0.621 nan 8.300 nan 0.000 0.579 265 D N 2.274 122.674 120.400 -0.001 0.000 2.170 265 D HA -0.291 4.351 4.640 0.004 0.000 0.193 265 D C 1.942 178.270 176.300 0.048 0.000 1.004 265 D CA 1.977 55.989 54.000 0.020 0.000 0.860 265 D CB -0.410 40.461 40.800 0.119 0.000 0.931 265 D HN 0.588 nan 8.370 nan 0.000 0.448 266 F N -2.127 117.919 119.950 0.159 0.000 2.699 266 F HA 0.274 4.804 4.527 0.004 0.000 0.298 266 F C 1.603 177.478 175.800 0.126 0.000 1.154 266 F CA 0.758 58.844 58.000 0.142 0.000 1.457 266 F CB 0.008 39.100 39.000 0.153 0.000 1.106 266 F HN 0.013 nan 8.300 nan 0.000 0.585 267 G N 0.480 109.134 108.800 -0.244 0.000 2.480 267 G HA2 -0.176 3.787 3.960 0.004 0.000 0.193 267 G HA3 -0.176 3.787 3.960 0.004 0.000 0.193 267 G C -0.360 174.409 174.900 -0.218 0.000 1.004 267 G CA -0.199 44.731 45.100 -0.284 0.000 0.696 267 G HN 0.382 nan 8.290 nan 0.000 0.478 268 L N 1.883 123.002 121.223 -0.172 0.000 2.367 268 L HA 0.764 5.107 4.340 0.004 0.000 0.275 268 L C 0.603 177.565 176.870 0.153 0.000 1.129 268 L CA -0.289 54.619 54.840 0.113 0.000 0.839 268 L CB 0.852 43.040 42.059 0.216 0.000 1.133 268 L HN 0.266 nan 8.230 nan 0.000 0.453 269 R N 6.136 126.741 120.500 0.175 0.000 2.415 269 R HA 0.480 4.823 4.340 0.004 0.000 0.292 269 R C -2.628 173.777 176.300 0.174 0.000 1.295 269 R CA -1.679 54.516 56.100 0.158 0.000 1.137 269 R CB 0.954 31.353 30.300 0.165 0.000 1.135 269 R HN 0.451 nan 8.270 nan 0.000 0.560 270 P HA 0.092 nan 4.420 nan 0.000 0.272 270 P C -1.062 176.337 177.300 0.165 0.000 1.230 270 P CA -0.233 62.997 63.100 0.216 0.000 0.788 270 P CB 1.418 33.286 31.700 0.281 0.000 0.949 271 S N 1.202 116.992 115.700 0.149 0.000 2.572 271 S HA 0.671 5.143 4.470 0.004 0.000 0.274 271 S C -1.817 172.866 174.600 0.137 0.000 1.150 271 S CA -0.515 57.764 58.200 0.131 0.000 0.944 271 S CB 0.236 63.498 63.200 0.104 0.000 1.071 271 S HN 0.298 nan 8.310 nan 0.000 0.479 272 L N 4.242 125.545 121.223 0.133 0.000 2.410 272 L HA 0.978 5.320 4.340 0.004 0.000 0.270 272 L C -0.717 176.232 176.870 0.131 0.000 0.983 272 L CA 0.047 54.965 54.840 0.130 0.000 0.822 272 L CB 1.500 43.628 42.059 0.116 0.000 1.285 272 L HN 0.851 nan 8.230 nan 0.000 0.409 273 A N 3.758 126.662 122.820 0.139 0.000 2.587 273 A HA 0.756 5.078 4.320 0.004 0.000 0.293 273 A C -2.302 175.371 177.584 0.148 0.000 1.087 273 A CA -0.472 51.642 52.037 0.127 0.000 0.692 273 A CB 1.378 20.442 19.000 0.107 0.000 1.291 273 A HN 0.726 nan 8.150 nan 0.000 0.407 274 Y N 0.687 120.962 120.300 -0.042 0.000 2.421 274 Y HA 0.707 5.260 4.550 0.004 0.000 0.339 274 Y C -1.913 173.869 175.900 -0.197 0.000 0.996 274 Y CA -0.953 57.097 58.100 -0.083 0.000 1.046 274 Y CB 1.551 40.028 38.460 0.029 0.000 1.226 274 Y HN 0.622 nan 8.280 nan 0.000 0.445 275 L N 5.368 125.977 121.223 -1.022 0.000 2.401 275 L HA 0.626 4.969 4.340 0.004 0.000 0.266 275 L C -1.031 175.293 176.870 -0.911 0.000 0.991 275 L CA -0.506 53.812 54.840 -0.871 0.000 0.818 275 L CB 2.438 43.957 42.059 -0.900 0.000 1.321 275 L HN 0.689 nan 8.230 nan 0.000 0.413 276 Q N 0.975 120.506 119.800 -0.448 0.000 2.295 276 Q HA 0.590 4.933 4.340 0.004 0.000 0.268 276 Q C -1.724 174.248 176.000 -0.045 0.000 1.010 276 Q CA -0.341 55.332 55.803 -0.218 0.000 0.856 276 Q CB 2.432 31.152 28.738 -0.030 0.000 1.349 276 Q HN 0.563 nan 8.270 nan 0.000 0.412 277 S N 3.214 118.897 115.700 -0.027 0.000 2.707 277 S HA 0.462 4.934 4.470 0.004 0.000 0.312 277 S C -1.345 173.269 174.600 0.023 0.000 1.116 277 S CA -0.577 57.630 58.200 0.012 0.000 1.078 277 S CB 0.561 63.769 63.200 0.012 0.000 0.997 277 S HN 0.430 nan 8.310 nan 0.000 0.477 278 K N 3.374 123.793 120.400 0.031 0.000 2.281 278 K HA 0.371 4.694 4.320 0.004 0.000 0.272 278 K C 0.369 176.965 176.600 -0.007 0.000 1.048 278 K CA -0.549 55.746 56.287 0.015 0.000 0.898 278 K CB 1.439 33.962 32.500 0.038 0.000 1.128 278 K HN 0.678 nan 8.250 nan 0.000 0.460 279 G N 3.329 112.108 108.800 -0.036 0.000 2.370 279 G HA2 0.166 4.129 3.960 0.004 0.000 0.272 279 G HA3 0.166 4.129 3.960 0.004 0.000 0.272 279 G C -0.301 174.568 174.900 -0.051 0.000 1.208 279 G CA -0.447 44.630 45.100 -0.039 0.000 0.856 279 G HN 0.308 nan 8.290 nan 0.000 0.500 280 K N 1.707 122.093 120.400 -0.022 0.000 2.207 280 K HA 0.229 4.552 4.320 0.004 0.000 0.255 280 K C 0.291 176.901 176.600 0.017 0.000 0.941 280 K CA -1.149 55.133 56.287 -0.009 0.000 0.825 280 K CB 1.548 34.045 32.500 -0.005 0.000 1.119 280 K HN 0.618 nan 8.250 nan 0.000 0.430 281 N N 2.016 120.730 118.700 0.022 0.000 2.689 281 N HA -0.204 4.538 4.740 0.004 0.000 0.263 281 N C 0.119 175.672 175.510 0.072 0.000 0.987 281 N CA 0.200 53.277 53.050 0.045 0.000 0.782 281 N CB -0.923 37.593 38.487 0.048 0.000 0.903 281 N HN 0.636 nan 8.380 nan 0.000 0.547 282 L N -0.261 121.014 121.223 0.087 0.000 2.217 282 L HA 0.139 4.482 4.340 0.004 0.000 0.211 282 L C 1.704 178.682 176.870 0.180 0.000 1.107 282 L CA 0.828 55.752 54.840 0.141 0.000 0.783 282 L CB -0.752 41.401 42.059 0.156 0.000 0.919 282 L HN 0.713 nan 8.230 nan 0.000 0.442 283 G N -0.580 108.315 108.800 0.158 0.000 2.661 283 G HA2 -0.212 3.751 3.960 0.004 0.000 0.685 283 G HA3 -0.212 3.751 3.960 0.004 0.000 0.685 283 G C 0.172 175.156 174.900 0.139 0.000 1.298 283 G CA -0.207 44.971 45.100 0.130 0.000 0.855 283 G HN 0.253 nan 8.290 nan 0.000 0.560 284 R N -0.958 119.573 120.500 0.052 0.000 3.651 284 R HA -0.098 4.244 4.340 0.004 0.000 0.292 284 R C 1.573 177.718 176.300 -0.258 0.000 1.161 284 R CA 2.337 58.414 56.100 -0.038 0.000 0.787 284 R CB -1.519 28.824 30.300 0.071 0.000 1.249 284 R HN 2.928 nan 8.270 nan 0.000 0.476 285 G N -1.893 106.807 108.800 -0.166 0.000 2.162 285 G HA2 -0.372 3.591 3.960 0.004 0.000 0.260 285 G HA3 -0.372 3.591 3.960 0.004 0.000 0.260 285 G C 0.157 174.931 174.900 -0.210 0.000 0.976 285 G CA 0.565 45.541 45.100 -0.205 0.000 0.655 285 G HN 0.434 nan 8.290 nan 0.000 0.533 286 Y N 0.203 120.532 120.300 0.048 0.000 2.476 286 Y HA 0.187 4.739 4.550 0.005 0.000 0.283 286 Y C 1.994 177.863 175.900 -0.051 0.000 1.109 286 Y CA 0.072 58.185 58.100 0.022 0.000 1.246 286 Y CB 0.132 38.637 38.460 0.076 0.000 1.068 286 Y HN 0.312 nan 8.280 nan 0.000 0.552 287 D N -0.311 120.156 120.400 0.111 0.000 3.996 287 D HA -0.253 4.390 4.640 0.004 0.000 0.140 287 D C -0.696 175.599 176.300 -0.008 0.000 0.829 287 D CA 1.748 55.772 54.000 0.041 0.000 1.111 287 D CB -1.087 39.726 40.800 0.022 0.000 0.516 287 D HN 0.161 nan 8.370 nan 0.000 0.517 288 D N 2.476 122.850 120.400 -0.043 0.000 2.233 288 D HA 0.520 5.163 4.640 0.004 0.000 0.240 288 D C -0.055 176.136 176.300 -0.182 0.000 1.074 288 D CA 0.179 54.126 54.000 -0.089 0.000 0.838 288 D CB 1.140 41.910 40.800 -0.050 0.000 1.124 288 D HN 0.113 nan 8.370 nan 0.000 0.475 289 E N 1.076 121.091 120.200 -0.308 0.000 2.356 289 E HA 0.214 4.566 4.350 0.004 0.000 0.275 289 E C -1.077 175.335 176.600 -0.314 0.000 0.904 289 E CA -0.765 55.349 56.400 -0.477 0.000 0.757 289 E CB 2.255 31.192 29.700 -1.273 0.000 1.232 289 E HN 0.251 nan 8.360 nan 0.000 0.442 290 D N 2.066 122.364 120.400 -0.170 0.000 2.383 290 D HA 0.141 4.783 4.640 0.004 0.000 0.252 290 D C 1.126 177.465 176.300 0.065 0.000 1.166 290 D CA 0.153 54.133 54.000 -0.034 0.000 0.879 290 D CB 1.107 41.916 40.800 0.016 0.000 1.164 290 D HN 0.382 nan 8.370 nan 0.000 0.462 291 I N 1.562 122.186 120.570 0.090 0.000 3.035 291 I HA 0.021 4.194 4.170 0.004 0.000 0.271 291 I C 0.555 176.729 176.117 0.096 0.000 1.190 291 I CA 0.404 61.807 61.300 0.171 0.000 1.472 291 I CB 0.261 38.334 38.000 0.122 0.000 1.116 291 I HN 0.164 nan 8.210 nan 0.000 0.443 292 L N 0.363 121.618 121.223 0.053 0.000 2.545 292 L HA 0.475 4.817 4.340 0.004 0.000 0.258 292 L C -1.213 175.646 176.870 -0.019 0.000 0.942 292 L CA -0.347 54.512 54.840 0.031 0.000 0.855 292 L CB 1.764 43.829 42.059 0.009 0.000 1.374 292 L HN -0.075 nan 8.230 nan 0.000 0.411 293 K N 3.971 124.367 120.400 -0.007 0.000 2.636 293 K HA 0.477 4.799 4.320 0.004 0.000 0.286 293 K C -2.267 174.335 176.600 0.002 0.000 1.100 293 K CA -0.546 55.690 56.287 -0.086 0.000 0.991 293 K CB 0.919 33.428 32.500 0.014 0.000 1.323 293 K HN 0.615 nan 8.250 nan 0.000 0.478 294 Y N -0.308 119.862 120.300 -0.218 0.000 2.581 294 Y HA 0.636 5.189 4.550 0.004 0.000 0.337 294 Y C -1.691 174.139 175.900 -0.116 0.000 1.108 294 Y CA -1.206 56.807 58.100 -0.145 0.000 1.033 294 Y CB 0.978 39.337 38.460 -0.168 0.000 1.318 294 Y HN -0.031 nan 8.280 nan 0.000 0.459 295 V N 2.608 122.650 119.914 0.213 0.000 2.532 295 V HA 0.378 4.500 4.120 0.004 0.000 0.295 295 V C -0.812 175.408 176.094 0.210 0.000 1.041 295 V CA -0.531 61.890 62.300 0.203 0.000 0.926 295 V CB 1.566 33.486 31.823 0.163 0.000 0.992 295 V HN 0.877 nan 8.190 nan 0.000 0.457 296 D N 2.735 123.258 120.400 0.205 0.000 2.629 296 D HA 0.524 5.167 4.640 0.004 0.000 0.250 296 D C -1.529 174.868 176.300 0.162 0.000 1.126 296 D CA -0.142 53.986 54.000 0.212 0.000 0.852 296 D CB 2.366 43.366 40.800 0.333 0.000 1.335 296 D HN 0.300 nan 8.370 nan 0.000 0.518 297 V N 2.524 122.530 119.914 0.153 0.000 2.540 297 V HA 0.875 4.997 4.120 0.004 0.000 0.302 297 V C 0.699 176.930 176.094 0.228 0.000 1.035 297 V CA -0.482 61.924 62.300 0.176 0.000 0.873 297 V CB 1.516 33.439 31.823 0.167 0.000 0.992 297 V HN 0.703 nan 8.190 nan 0.000 0.428 298 G N 2.480 111.395 108.800 0.192 0.000 2.600 298 G HA2 0.887 4.849 3.960 0.004 0.000 0.293 298 G HA3 0.887 4.849 3.960 0.004 0.000 0.293 298 G C -1.585 173.408 174.900 0.155 0.000 1.408 298 G CA -0.112 45.098 45.100 0.184 0.000 0.782 298 G HN 1.236 nan 8.290 nan 0.000 0.482 299 A N -0.463 122.446 122.820 0.149 0.000 2.517 299 A HA 0.833 5.155 4.320 0.004 0.000 0.297 299 A C -0.642 177.015 177.584 0.120 0.000 1.050 299 A CA -0.439 51.681 52.037 0.138 0.000 0.694 299 A CB 1.702 20.793 19.000 0.152 0.000 1.277 299 A HN 0.994 nan 8.150 nan 0.000 0.400 300 T N 1.675 116.260 114.554 0.051 0.000 2.807 300 T HA 0.528 4.880 4.350 0.004 0.000 0.279 300 T C -1.331 173.286 174.700 -0.138 0.000 0.993 300 T CA -0.057 61.992 62.100 -0.085 0.000 0.970 300 T CB 0.867 69.546 68.868 -0.316 0.000 0.950 300 T HN 0.534 nan 8.240 nan 0.000 0.441 301 Y N 2.948 123.070 120.300 -0.298 0.000 2.331 301 Y HA 0.494 5.047 4.550 0.004 0.000 0.338 301 Y C -1.421 174.179 175.900 -0.500 0.000 0.976 301 Y CA -1.413 56.490 58.100 -0.328 0.000 1.137 301 Y CB 0.615 38.885 38.460 -0.316 0.000 1.172 301 Y HN 0.608 nan 8.280 nan 0.000 0.478 302 Y N 7.487 127.320 120.300 -0.779 0.000 2.518 302 Y HA 0.199 4.752 4.550 0.004 0.000 0.344 302 Y C 0.322 175.809 175.900 -0.688 0.000 0.982 302 Y CA -0.467 57.319 58.100 -0.523 0.000 1.234 302 Y CB 0.145 38.415 38.460 -0.316 0.000 1.114 302 Y HN 0.694 nan 8.280 nan 0.000 0.515 303 F N 1.117 120.976 119.950 -0.151 0.000 2.134 303 F HA -0.191 4.338 4.527 0.004 0.000 0.299 303 F C 0.976 176.781 175.800 0.009 0.000 1.097 303 F CA 1.164 59.155 58.000 -0.015 0.000 1.264 303 F CB -0.125 38.955 39.000 0.132 0.000 1.001 303 F HN 0.567 nan 8.300 nan 0.000 0.479 304 N N -2.116 116.710 118.700 0.211 0.000 3.496 304 N HA 0.075 4.817 4.740 0.004 0.000 0.331 304 N C -0.162 175.404 175.510 0.093 0.000 1.532 304 N CA -0.739 52.380 53.050 0.115 0.000 0.863 304 N CB 0.262 38.820 38.487 0.118 0.000 1.927 304 N HN -0.228 nan 8.380 nan 0.000 0.529 305 K N -0.646 119.777 120.400 0.038 0.000 2.365 305 K HA 0.154 4.477 4.320 0.004 0.000 0.199 305 K C 0.263 176.870 176.600 0.012 0.000 1.045 305 K CA 1.251 57.538 56.287 -0.000 0.000 0.962 305 K CB -0.346 32.137 32.500 -0.028 0.000 0.759 305 K HN 0.448 nan 8.250 nan 0.000 0.469 306 N N -0.831 117.889 118.700 0.033 0.000 2.197 306 N HA 0.090 4.833 4.740 0.004 0.000 0.201 306 N C -0.647 174.857 175.510 -0.010 0.000 1.148 306 N CA -0.059 52.958 53.050 -0.054 0.000 0.883 306 N CB 0.630 39.098 38.487 -0.033 0.000 1.012 306 N HN -0.058 nan 8.380 nan 0.000 0.507 307 M N 0.837 120.527 119.600 0.149 0.000 2.324 307 M HA 0.423 4.905 4.480 0.004 0.000 0.288 307 M C -1.700 174.836 176.300 0.393 0.000 1.097 307 M CA -0.630 54.824 55.300 0.257 0.000 0.928 307 M CB 1.802 34.544 32.600 0.237 0.000 1.648 307 M HN 0.050 nan 8.290 nan 0.000 0.460 308 S N 1.546 117.451 115.700 0.342 0.000 2.565 308 S HA 0.904 5.377 4.470 0.004 0.000 0.269 308 S C -1.003 173.721 174.600 0.207 0.000 1.153 308 S CA -0.782 57.538 58.200 0.200 0.000 0.835 308 S CB 2.026 65.177 63.200 -0.082 0.000 1.122 308 S HN 0.788 nan 8.310 nan 0.000 0.462 309 T N 1.081 115.694 114.554 0.097 0.000 2.909 309 T HA 0.773 5.126 4.350 0.004 0.000 0.299 309 T C -2.062 172.664 174.700 0.043 0.000 1.073 309 T CA -0.531 61.605 62.100 0.059 0.000 0.999 309 T CB 1.091 70.060 68.868 0.167 0.000 1.098 309 T HN 1.195 nan 8.240 nan 0.000 0.477 310 Y N 0.869 121.173 120.300 0.007 0.000 2.609 310 Y HA 0.809 5.362 4.550 0.004 0.000 0.336 310 Y C -1.789 174.134 175.900 0.039 0.000 1.129 310 Y CA -1.388 56.709 58.100 -0.005 0.000 1.040 310 Y CB 0.816 39.246 38.460 -0.049 0.000 1.310 310 Y HN 0.480 nan 8.280 nan 0.000 0.460 311 V N 2.360 122.467 119.914 0.321 0.000 2.604 311 V HA 0.624 4.746 4.120 0.004 0.000 0.305 311 V C -1.698 174.581 176.094 0.308 0.000 1.043 311 V CA -0.259 62.206 62.300 0.276 0.000 0.888 311 V CB 1.654 33.572 31.823 0.158 0.000 0.995 311 V HN 0.907 nan 8.190 nan 0.000 0.429 312 D N 4.516 125.102 120.400 0.310 0.000 2.629 312 D HA 0.319 4.961 4.640 0.004 0.000 0.250 312 D C -1.892 174.693 176.300 0.475 0.000 1.126 312 D CA -0.131 54.045 54.000 0.293 0.000 0.852 312 D CB 1.656 42.496 40.800 0.065 0.000 1.335 312 D HN 0.488 nan 8.370 nan 0.000 0.518 313 Y N 3.435 123.893 120.300 0.264 0.000 2.388 313 Y HA 0.306 4.858 4.550 0.004 0.000 0.328 313 Y C -0.635 175.320 175.900 0.091 0.000 0.963 313 Y CA -1.201 57.005 58.100 0.177 0.000 1.240 313 Y CB 0.835 39.366 38.460 0.118 0.000 1.118 313 Y HN 0.225 nan 8.280 nan 0.000 0.484 314 K N 8.019 128.419 120.400 0.000 0.000 2.263 314 K HA 0.391 4.714 4.320 0.004 0.000 0.282 314 K C -0.961 175.388 176.600 -0.418 0.000 1.089 314 K CA -0.299 55.725 56.287 -0.439 0.000 0.907 314 K CB 0.142 31.938 32.500 -1.173 0.000 1.148 314 K HN 0.747 nan 8.250 nan 0.000 0.470 315 I N 4.454 124.786 120.570 -0.398 0.000 2.281 315 I HA 0.036 4.208 4.170 0.004 0.000 0.293 315 I C 0.220 176.266 176.117 -0.119 0.000 1.085 315 I CA -0.605 60.489 61.300 -0.344 0.000 1.257 315 I CB 0.369 38.155 38.000 -0.357 0.000 1.430 315 I HN 0.512 nan 8.210 nan 0.000 0.489 316 N N 6.924 125.554 118.700 -0.117 0.000 2.411 316 N HA 0.201 4.944 4.740 0.004 0.000 0.259 316 N C 0.381 175.895 175.510 0.008 0.000 1.103 316 N CA 0.000 53.019 53.050 -0.053 0.000 0.954 316 N CB 1.269 39.692 38.487 -0.106 0.000 1.085 316 N HN 0.569 nan 8.380 nan 0.000 0.485 317 L N 3.304 124.561 121.223 0.058 0.000 2.607 317 L HA 0.238 4.580 4.340 0.004 0.000 0.228 317 L C 0.643 177.546 176.870 0.055 0.000 1.123 317 L CA -0.048 54.829 54.840 0.062 0.000 0.890 317 L CB 0.021 42.140 42.059 0.101 0.000 1.103 317 L HN 0.354 nan 8.230 nan 0.000 0.468 318 L N 0.542 121.794 121.223 0.049 0.000 2.456 318 L HA 0.078 4.421 4.340 0.004 0.000 0.272 318 L C -0.039 176.856 176.870 0.041 0.000 1.189 318 L CA 0.022 54.892 54.840 0.050 0.000 0.846 318 L CB 0.325 42.414 42.059 0.050 0.000 1.111 318 L HN 0.045 nan 8.230 nan 0.000 0.475 319 D N 1.312 121.741 120.400 0.049 0.000 2.210 319 D HA 0.071 4.713 4.640 0.004 0.000 0.249 319 D C -0.463 175.866 176.300 0.048 0.000 1.062 319 D CA -0.290 53.737 54.000 0.044 0.000 0.891 319 D CB 1.560 42.388 40.800 0.046 0.000 1.186 319 D HN 0.398 nan 8.370 nan 0.000 0.432 320 D N 1.477 121.899 120.400 0.036 0.000 2.346 320 D HA 0.077 4.720 4.640 0.004 0.000 0.260 320 D C -0.343 175.985 176.300 0.047 0.000 1.252 320 D CA -0.031 53.988 54.000 0.032 0.000 0.895 320 D CB 0.057 40.869 40.800 0.020 0.000 1.097 320 D HN 0.353 nan 8.370 nan 0.000 0.489 321 N N 1.689 120.427 118.700 0.063 0.000 3.204 321 N HA 0.210 4.953 4.740 0.004 0.000 0.285 321 N C 0.633 176.204 175.510 0.103 0.000 1.536 321 N CA -0.869 52.233 53.050 0.088 0.000 0.832 321 N CB 0.670 39.223 38.487 0.111 0.000 1.645 321 N HN 0.183 nan 8.380 nan 0.000 0.586 322 R N -0.895 119.692 120.500 0.145 0.000 2.083 322 R HA -0.114 4.229 4.340 0.004 0.000 0.237 322 R C 1.684 178.104 176.300 0.200 0.000 1.137 322 R CA 1.628 57.834 56.100 0.178 0.000 0.951 322 R CB -0.561 29.880 30.300 0.235 0.000 0.851 322 R HN 0.560 nan 8.270 nan 0.000 0.434 323 F N 1.490 121.475 119.950 0.058 0.000 2.102 323 F HA -0.218 4.311 4.527 0.004 0.000 0.298 323 F C 2.416 178.099 175.800 -0.196 0.000 1.105 323 F CA 2.289 60.152 58.000 -0.227 0.000 1.239 323 F CB -0.704 38.102 39.000 -0.323 0.000 0.991 323 F HN 0.144 nan 8.300 nan 0.000 0.474 324 T N -1.520 112.932 114.554 -0.169 0.000 2.867 324 T HA -0.101 4.251 4.350 0.004 0.000 0.268 324 T C 2.093 176.651 174.700 -0.236 0.000 1.057 324 T CA 1.122 63.059 62.100 -0.270 0.000 1.136 324 T CB -0.523 68.317 68.868 -0.046 0.000 0.874 324 T HN 0.342 nan 8.240 nan 0.000 0.466 325 R N 1.044 121.466 120.500 -0.130 0.000 2.062 325 R HA -0.012 4.331 4.340 0.004 0.000 0.229 325 R C 2.289 178.519 176.300 -0.116 0.000 1.128 325 R CA 1.584 57.629 56.100 -0.091 0.000 0.960 325 R CB -0.372 29.912 30.300 -0.028 0.000 0.855 325 R HN 0.377 nan 8.270 nan 0.000 0.432 326 D N 0.703 121.033 120.400 -0.116 0.000 2.117 326 D HA -0.122 4.521 4.640 0.004 0.000 0.197 326 D C 1.683 177.857 176.300 -0.210 0.000 0.987 326 D CA 1.575 55.516 54.000 -0.098 0.000 0.829 326 D CB -0.176 40.642 40.800 0.031 0.000 0.961 326 D HN 0.238 nan 8.370 nan 0.000 0.460 327 A N -0.326 122.243 122.820 -0.419 0.000 2.119 327 A HA 0.294 4.616 4.320 0.004 0.000 0.217 327 A C 1.816 179.210 177.584 -0.317 0.000 1.153 327 A CA 1.385 53.142 52.037 -0.467 0.000 0.692 327 A CB -0.427 18.073 19.000 -0.834 0.000 0.799 327 A HN 0.302 nan 8.150 nan 0.000 0.458 328 G N -0.891 107.759 108.800 -0.251 0.000 2.176 328 G HA2 -0.231 3.732 3.960 0.004 0.000 0.252 328 G HA3 -0.231 3.732 3.960 0.004 0.000 0.252 328 G C 0.026 174.818 174.900 -0.181 0.000 1.024 328 G CA 0.348 45.339 45.100 -0.182 0.000 0.755 328 G HN 0.497 nan 8.290 nan 0.000 0.507 329 I N 0.393 120.839 120.570 -0.207 0.000 2.428 329 I HA 0.176 4.348 4.170 0.004 0.000 0.289 329 I C 0.728 176.780 176.117 -0.108 0.000 1.019 329 I CA -0.867 60.336 61.300 -0.162 0.000 1.351 329 I CB 1.030 38.929 38.000 -0.168 0.000 1.412 329 I HN 0.200 nan 8.210 nan 0.000 0.513 330 N N 3.581 122.226 118.700 -0.091 0.000 2.475 330 N HA 0.013 4.756 4.740 0.004 0.000 0.267 330 N C 0.720 176.192 175.510 -0.065 0.000 1.169 330 N CA 0.132 53.137 53.050 -0.075 0.000 0.947 330 N CB 0.783 39.220 38.487 -0.083 0.000 1.061 330 N HN 0.716 nan 8.380 nan 0.000 0.466 331 T N -1.071 113.455 114.554 -0.048 0.000 3.044 331 T HA 0.198 4.550 4.350 0.004 0.000 0.260 331 T C -0.035 174.644 174.700 -0.035 0.000 1.019 331 T CA -0.309 61.773 62.100 -0.030 0.000 0.921 331 T CB -0.068 68.796 68.868 -0.008 0.000 1.053 331 T HN 0.352 nan 8.240 nan 0.000 0.533 332 D N 2.355 122.727 120.400 -0.047 0.000 2.312 332 D HA 0.289 4.932 4.640 0.004 0.000 0.248 332 D C -0.601 175.653 176.300 -0.077 0.000 1.086 332 D CA -0.359 53.618 54.000 -0.038 0.000 0.948 332 D CB 1.176 41.967 40.800 -0.016 0.000 1.162 332 D HN 0.252 nan 8.370 nan 0.000 0.446 333 D N 0.503 120.881 120.400 -0.036 0.000 2.362 333 D HA 0.334 4.977 4.640 0.004 0.000 0.242 333 D C 0.092 176.371 176.300 -0.035 0.000 1.132 333 D CA 0.215 54.196 54.000 -0.031 0.000 0.907 333 D CB 1.024 41.903 40.800 0.131 0.000 1.195 333 D HN 0.209 nan 8.370 nan 0.000 0.429 334 I N 0.406 120.913 120.570 -0.104 0.000 2.619 334 I HA 0.274 4.446 4.170 0.004 0.000 0.292 334 I C -0.739 175.449 176.117 0.118 0.000 1.100 334 I CA -1.083 60.172 61.300 -0.075 0.000 1.043 334 I CB 2.182 39.985 38.000 -0.329 0.000 1.239 334 I HN -0.094 nan 8.210 nan 0.000 0.420 335 V N 4.118 124.164 119.914 0.219 0.000 2.459 335 V HA 0.772 4.895 4.120 0.004 0.000 0.295 335 V C 0.148 176.434 176.094 0.320 0.000 1.029 335 V CA -0.510 61.966 62.300 0.293 0.000 0.874 335 V CB 1.597 33.506 31.823 0.144 0.000 0.985 335 V HN 0.844 nan 8.190 nan 0.000 0.438 336 A N 4.864 127.849 122.820 0.276 0.000 2.342 336 A HA 0.896 5.218 4.320 0.004 0.000 0.323 336 A C -1.249 176.489 177.584 0.256 0.000 1.125 336 A CA -0.526 51.616 52.037 0.175 0.000 0.785 336 A CB 1.332 20.267 19.000 -0.108 0.000 1.221 336 A HN 0.780 nan 8.150 nan 0.000 0.463 337 L N 2.306 123.667 121.223 0.230 0.000 2.376 337 L HA 0.820 5.163 4.340 0.004 0.000 0.275 337 L C 0.081 176.885 176.870 -0.111 0.000 0.987 337 L CA 0.076 54.976 54.840 0.100 0.000 0.828 337 L CB 1.694 43.912 42.059 0.266 0.000 1.249 337 L HN 0.869 nan 8.230 nan 0.000 0.409 338 G N 4.117 112.605 108.800 -0.521 0.000 2.620 338 G HA2 0.636 4.598 3.960 0.004 0.000 0.301 338 G HA3 0.636 4.598 3.960 0.004 0.000 0.301 338 G C -2.365 172.244 174.900 -0.486 0.000 1.347 338 G CA -0.540 44.153 45.100 -0.678 0.000 0.971 338 G HN 0.567 nan 8.290 nan 0.000 0.488 339 L N 1.729 122.814 121.223 -0.230 0.000 2.406 339 L HA 0.735 5.077 4.340 0.004 0.000 0.272 339 L C -1.052 175.804 176.870 -0.023 0.000 0.980 339 L CA -0.722 54.078 54.840 -0.068 0.000 0.831 339 L CB 2.213 44.264 42.059 -0.013 0.000 1.253 339 L HN 0.342 nan 8.230 nan 0.000 0.406 340 V N 5.301 125.245 119.914 0.051 0.000 2.482 340 V HA 0.339 4.462 4.120 0.004 0.000 0.295 340 V C -1.192 174.984 176.094 0.137 0.000 1.026 340 V CA -0.662 61.680 62.300 0.071 0.000 0.856 340 V CB 1.384 33.263 31.823 0.093 0.000 1.001 340 V HN 0.637 nan 8.190 nan 0.000 0.424 341 Y N 5.677 126.000 120.300 0.039 0.000 2.328 341 Y HA 0.674 5.227 4.550 0.004 0.000 0.337 341 Y C 0.116 176.077 175.900 0.101 0.000 1.008 341 Y CA -0.317 57.828 58.100 0.076 0.000 1.129 341 Y CB 1.296 39.796 38.460 0.066 0.000 1.185 341 Y HN 0.750 nan 8.280 nan 0.000 0.476 342 Q N 6.088 125.486 119.800 -0.669 0.000 2.456 342 Q HA 0.632 4.974 4.340 0.004 0.000 0.283 342 Q C -1.789 173.886 176.000 -0.541 0.000 1.084 342 Q CA -0.925 54.586 55.803 -0.487 0.000 0.801 342 Q CB 2.815 31.413 28.738 -0.235 0.000 1.434 342 Q HN 0.644 nan 8.270 nan 0.000 0.419 343 F N 0.000 119.774 119.950 -0.293 0.000 2.286 343 F HA 0.000 4.530 4.527 0.004 0.000 0.279 343 F CA 0.000 57.932 58.000 -0.114 0.000 1.383 343 F CB 0.000 39.014 39.000 0.024 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574