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 3feq_1_M DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRGXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.694 174.700 -0.010 0.000 1.109 2 T CA 0.000 62.094 62.100 -0.009 0.000 1.349 2 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 3 I N -0.212 120.351 120.570 -0.012 0.000 2.842 3 I HA 0.653 4.813 4.170 -0.017 0.000 0.297 3 I C -1.957 174.151 176.117 -0.016 0.000 1.380 3 I CA -0.195 61.098 61.300 -0.012 0.000 1.018 3 I CB 2.276 40.270 38.000 -0.009 0.000 1.311 3 I HN 0.992 nan 8.210 nan 0.000 0.439 4 T N 5.269 119.813 114.554 -0.017 0.000 2.933 4 T HA 0.613 4.953 4.350 -0.017 0.000 0.305 4 T C -1.501 173.188 174.700 -0.018 0.000 1.092 4 T CA -0.468 61.617 62.100 -0.025 0.000 1.008 4 T CB 2.131 70.976 68.868 -0.038 0.000 1.102 4 T HN 0.310 nan 8.240 nan 0.000 0.469 5 V N 3.906 123.809 119.914 -0.019 0.000 2.483 5 V HA 0.428 4.538 4.120 -0.017 0.000 0.297 5 V C -0.892 175.185 176.094 -0.030 0.000 1.027 5 V CA -1.010 61.291 62.300 0.000 0.000 0.855 5 V CB 1.704 33.553 31.823 0.042 0.000 0.995 5 V HN 0.642 nan 8.190 nan 0.000 0.424 6 L N 5.734 126.932 121.223 -0.041 0.000 2.278 6 L HA 0.444 4.774 4.340 -0.017 0.000 0.287 6 L C 0.342 177.160 176.870 -0.087 0.000 1.072 6 L CA 0.252 55.042 54.840 -0.083 0.000 0.819 6 L CB 0.761 42.768 42.059 -0.087 0.000 1.176 6 L HN 0.838 nan 8.230 nan 0.000 0.435 7 Q N 1.137 120.848 119.800 -0.148 0.000 2.316 7 Q HA 0.629 4.959 4.340 -0.017 0.000 0.264 7 Q C 0.596 176.313 176.000 -0.472 0.000 0.987 7 Q CA -0.456 55.136 55.803 -0.351 0.000 0.852 7 Q CB 1.852 30.528 28.738 -0.104 0.000 1.287 7 Q HN 0.787 nan 8.270 nan 0.000 0.448 8 G N 1.921 110.214 108.800 -0.845 0.000 2.160 8 G HA2 -0.256 3.694 3.960 -0.017 0.000 0.251 8 G HA3 -0.256 3.694 3.960 -0.017 0.000 0.251 8 G C 0.363 175.100 174.900 -0.272 0.000 1.008 8 G CA -0.169 44.702 45.100 -0.382 0.000 0.724 8 G HN 1.006 nan 8.290 nan 0.000 0.514 9 G N -0.586 108.080 108.800 -0.224 0.000 2.569 9 G HA2 0.462 4.412 3.960 -0.017 0.000 0.249 9 G HA3 0.462 4.412 3.960 -0.017 0.000 0.249 9 G C 0.067 174.890 174.900 -0.130 0.000 1.216 9 G CA -0.270 44.738 45.100 -0.155 0.000 0.845 9 G HN 0.513 nan 8.290 nan 0.000 0.568 10 N N 0.259 118.886 118.700 -0.123 0.000 2.918 10 N HA 0.282 5.012 4.740 -0.017 0.000 0.247 10 N C -0.426 175.045 175.510 -0.066 0.000 1.117 10 N CA -0.541 52.456 53.050 -0.089 0.000 1.005 10 N CB 1.736 40.165 38.487 -0.097 0.000 1.297 10 N HN 0.189 nan 8.380 nan 0.000 0.513 11 V N 2.554 122.430 119.914 -0.063 0.000 2.450 11 V HA -0.037 4.073 4.120 -0.017 0.000 0.281 11 V C 0.711 176.753 176.094 -0.086 0.000 1.019 11 V CA -0.197 62.059 62.300 -0.072 0.000 1.062 11 V CB 0.360 32.138 31.823 -0.076 0.000 0.979 11 V HN 0.626 nan 8.190 nan 0.000 0.477 12 L N 5.522 126.710 121.223 -0.058 0.000 2.418 12 L HA 0.258 4.588 4.340 -0.017 0.000 0.274 12 L C 0.388 177.231 176.870 -0.046 0.000 1.135 12 L CA 0.235 55.047 54.840 -0.048 0.000 0.870 12 L CB 0.476 42.518 42.059 -0.029 0.000 1.154 12 L HN 0.697 nan 8.230 nan 0.000 0.462 13 D N 4.555 124.924 120.400 -0.051 0.000 2.256 13 D HA 0.181 4.811 4.640 -0.017 0.000 0.240 13 D C 0.556 176.845 176.300 -0.018 0.000 1.062 13 D CA -0.405 53.573 54.000 -0.038 0.000 0.832 13 D CB 1.851 42.619 40.800 -0.053 0.000 1.135 13 D HN 0.506 nan 8.370 nan 0.000 0.484 14 L N 3.155 124.376 121.223 -0.004 0.000 2.298 14 L HA -0.016 4.314 4.340 -0.017 0.000 0.209 14 L C 2.389 179.266 176.870 0.012 0.000 1.084 14 L CA 0.315 55.161 54.840 0.009 0.000 0.816 14 L CB 0.028 42.101 42.059 0.023 0.000 0.967 14 L HN 0.492 nan 8.230 nan 0.000 0.460 15 E N 0.395 120.601 120.200 0.010 0.000 2.285 15 E HA -0.160 4.179 4.350 -0.017 0.000 0.194 15 E C 1.779 178.384 176.600 0.007 0.000 0.997 15 E CA 0.796 57.203 56.400 0.012 0.000 0.845 15 E CB 0.022 29.730 29.700 0.013 0.000 0.782 15 E HN 0.448 nan 8.360 nan 0.000 0.491 16 R N -0.053 120.447 120.500 0.001 0.000 2.225 16 R HA 0.184 4.514 4.340 -0.017 0.000 0.194 16 R C 1.011 177.310 176.300 -0.002 0.000 0.957 16 R CA 0.625 56.724 56.100 -0.001 0.000 1.042 16 R CB 0.559 30.855 30.300 -0.007 0.000 1.004 16 R HN 0.273 nan 8.270 nan 0.000 0.509 17 G N 1.178 109.975 108.800 -0.004 0.000 2.248 17 G HA2 -0.203 3.747 3.960 -0.017 0.000 0.263 17 G HA3 -0.203 3.747 3.960 -0.017 0.000 0.263 17 G C -0.203 174.692 174.900 -0.009 0.000 1.082 17 G CA 0.173 45.272 45.100 -0.003 0.000 0.863 17 G HN 0.248 nan 8.290 nan 0.000 0.495 18 V N -2.860 117.043 119.914 -0.018 0.000 3.049 18 V HA 0.795 4.905 4.120 -0.017 0.000 0.309 18 V C 0.701 176.773 176.094 -0.037 0.000 1.148 18 V CA -1.750 60.537 62.300 -0.022 0.000 0.990 18 V CB 1.985 33.797 31.823 -0.018 0.000 1.039 18 V HN 0.314 nan 8.190 nan 0.000 0.430 19 L N 2.772 123.974 121.223 -0.035 0.000 2.461 19 L HA 0.398 4.728 4.340 -0.017 0.000 0.272 19 L C -0.443 176.389 176.870 -0.064 0.000 1.197 19 L CA -0.196 54.615 54.840 -0.048 0.000 0.836 19 L CB 0.717 42.755 42.059 -0.035 0.000 1.105 19 L HN 0.558 nan 8.230 nan 0.000 0.477 20 L N 3.599 124.754 121.223 -0.114 0.000 2.384 20 L HA 0.266 4.596 4.340 -0.017 0.000 0.261 20 L C 0.064 176.952 176.870 0.030 0.000 1.024 20 L CA -0.710 54.022 54.840 -0.180 0.000 0.899 20 L CB 0.905 42.583 42.059 -0.635 0.000 1.243 20 L HN 0.602 nan 8.230 nan 0.000 0.449 21 E N 2.920 123.201 120.200 0.135 0.000 2.392 21 E HA 0.013 4.353 4.350 -0.017 0.000 0.264 21 E C 0.041 176.793 176.600 0.253 0.000 1.024 21 E CA -0.380 56.084 56.400 0.107 0.000 0.903 21 E CB 0.368 30.128 29.700 0.101 0.000 0.963 21 E HN 0.534 nan 8.360 nan 0.000 0.432 22 H N 0.227 119.360 119.070 0.105 0.000 2.776 22 H HA -0.161 4.385 4.556 -0.017 0.000 0.300 22 H C -0.708 174.656 175.328 0.060 0.000 1.161 22 H CA 1.066 57.139 56.048 0.041 0.000 1.147 22 H CB -2.056 27.722 29.762 0.027 0.000 1.366 22 H HN 0.544 nan 8.280 nan 0.000 0.397 23 H N 0.509 119.617 119.070 0.062 0.000 2.527 23 H HA 0.264 4.810 4.556 -0.017 0.000 0.321 23 H C 0.913 176.271 175.328 0.050 0.000 1.087 23 H CA -0.135 55.978 56.048 0.108 0.000 1.337 23 H CB 0.654 30.451 29.762 0.059 0.000 1.440 23 H HN 0.309 nan 8.280 nan 0.000 0.490 24 H N 1.375 120.489 119.070 0.074 0.000 2.505 24 H HA 0.349 4.895 4.556 -0.017 0.000 0.351 24 H C -0.370 174.985 175.328 0.045 0.000 1.151 24 H CA -0.647 55.424 56.048 0.039 0.000 1.339 24 H CB 2.169 31.937 29.762 0.009 0.000 1.483 24 H HN 0.275 nan 8.280 nan 0.000 0.558 25 V N 3.322 123.307 119.914 0.118 0.000 2.588 25 V HA 0.296 4.406 4.120 -0.017 0.000 0.304 25 V C -0.993 175.129 176.094 0.046 0.000 1.042 25 V CA -0.588 61.754 62.300 0.069 0.000 0.877 25 V CB 1.554 33.395 31.823 0.030 0.000 0.996 25 V HN 0.459 nan 8.190 nan 0.000 0.425 26 V N 7.994 127.931 119.914 0.038 0.000 2.357 26 V HA 0.528 4.638 4.120 -0.017 0.000 0.284 26 V C -0.259 175.839 176.094 0.008 0.000 1.018 26 V CA -0.600 61.713 62.300 0.022 0.000 0.841 26 V CB 1.336 33.172 31.823 0.021 0.000 0.991 26 V HN 0.693 nan 8.190 nan 0.000 0.437 27 I N 3.633 124.202 120.570 -0.003 0.000 2.321 27 I HA 0.450 4.610 4.170 -0.017 0.000 0.291 27 I C -0.270 175.842 176.117 -0.008 0.000 0.998 27 I CA -0.270 61.025 61.300 -0.008 0.000 1.227 27 I CB 1.233 39.222 38.000 -0.018 0.000 1.368 27 I HN 0.620 nan 8.210 nan 0.000 0.466 28 D N 4.196 124.593 120.400 -0.005 0.000 2.391 28 D HA 0.585 5.215 4.640 -0.017 0.000 0.245 28 D C 0.803 177.099 176.300 -0.006 0.000 1.069 28 D CA 0.600 54.596 54.000 -0.006 0.000 0.831 28 D CB 1.712 42.510 40.800 -0.004 0.000 1.204 28 D HN 0.805 nan 8.370 nan 0.000 0.503 29 G N 4.020 112.815 108.800 -0.008 0.000 2.620 29 G HA2 -0.363 3.587 3.960 -0.017 0.000 0.315 29 G HA3 -0.363 3.587 3.960 -0.017 0.000 0.315 29 G C 0.751 175.645 174.900 -0.011 0.000 1.179 29 G CA 0.649 45.744 45.100 -0.009 0.000 0.971 29 G HN 0.594 nan 8.290 nan 0.000 0.544 30 E N 0.855 121.050 120.200 -0.008 0.000 2.526 30 E HA 0.198 4.538 4.350 -0.017 0.000 0.208 30 E C 1.000 177.597 176.600 -0.006 0.000 0.997 30 E CA -0.214 56.180 56.400 -0.009 0.000 0.961 30 E CB 0.618 30.313 29.700 -0.008 0.000 1.030 30 E HN 0.358 nan 8.360 nan 0.000 0.483 31 R N 0.935 121.433 120.500 -0.003 0.000 2.732 31 R HA 0.478 4.808 4.340 -0.017 0.000 0.278 31 R C -0.186 176.114 176.300 0.000 0.000 0.976 31 R CA -0.762 55.339 56.100 0.001 0.000 0.963 31 R CB 1.895 32.198 30.300 0.004 0.000 1.150 31 R HN -0.032 nan 8.270 nan 0.000 0.478 32 I N 2.527 123.099 120.570 0.003 0.000 2.352 32 I HA 0.028 4.188 4.170 -0.017 0.000 0.290 32 I C 1.146 177.268 176.117 0.008 0.000 1.036 32 I CA -0.121 61.182 61.300 0.004 0.000 1.336 32 I CB 1.316 39.319 38.000 0.005 0.000 1.407 32 I HN 0.425 nan 8.210 nan 0.000 0.497 33 V N 4.092 124.012 119.914 0.009 0.000 3.085 33 V HA 0.191 4.301 4.120 -0.017 0.000 0.245 33 V C 0.606 176.709 176.094 0.014 0.000 1.114 33 V CA 0.531 62.836 62.300 0.010 0.000 1.108 33 V CB -0.186 31.641 31.823 0.006 0.000 0.798 33 V HN 0.711 nan 8.190 nan 0.000 0.471 34 E N 0.095 120.307 120.200 0.020 0.000 2.291 34 E HA 0.527 4.867 4.350 -0.017 0.000 0.276 34 E C -1.885 174.744 176.600 0.048 0.000 0.896 34 E CA -0.268 56.150 56.400 0.029 0.000 0.774 34 E CB 3.063 32.776 29.700 0.021 0.000 1.227 34 E HN 0.087 nan 8.360 nan 0.000 0.413 35 V N 2.410 122.361 119.914 0.061 0.000 2.378 35 V HA 0.646 4.756 4.120 -0.017 0.000 0.288 35 V C -0.080 176.103 176.094 0.148 0.000 1.016 35 V CA -0.463 61.898 62.300 0.102 0.000 0.840 35 V CB 1.490 33.361 31.823 0.081 0.000 0.994 35 V HN 0.686 nan 8.190 nan 0.000 0.431 36 T N 1.787 116.450 114.554 0.181 0.000 2.830 36 T HA 0.331 4.671 4.350 -0.017 0.000 0.322 36 T C -0.726 173.962 174.700 -0.020 0.000 1.501 36 T CA -0.319 61.847 62.100 0.111 0.000 1.036 36 T CB 1.933 70.814 68.868 0.021 0.000 1.379 36 T HN 0.839 nan 8.240 nan 0.000 0.493 37 D N 1.323 121.546 120.400 -0.294 0.000 2.358 37 D HA 0.138 4.768 4.640 -0.017 0.000 0.224 37 D C 0.451 176.650 176.300 -0.168 0.000 1.123 37 D CA -0.481 53.315 54.000 -0.339 0.000 0.833 37 D CB 0.083 40.481 40.800 -0.669 0.000 0.946 37 D HN 0.065 nan 8.370 nan 0.000 0.505 38 R N 2.329 122.726 120.500 -0.171 0.000 2.585 38 R HA 0.162 4.492 4.340 -0.017 0.000 0.275 38 R C -2.121 173.960 176.300 -0.365 0.000 1.018 38 R CA -1.952 54.030 56.100 -0.198 0.000 1.072 38 R CB -0.801 29.402 30.300 -0.161 0.000 0.953 38 R HN 0.172 nan 8.270 nan 0.000 0.419 39 P HA -0.050 nan 4.420 nan 0.000 0.262 39 P C -0.201 176.938 177.300 -0.267 0.000 1.199 39 P CA 0.216 63.151 63.100 -0.275 0.000 0.763 39 P CB 0.627 32.252 31.700 -0.124 0.000 0.790 40 V N 3.350 123.063 119.914 -0.334 0.000 2.630 40 V HA 0.187 4.296 4.120 -0.017 0.000 0.305 40 V C 0.259 176.289 176.094 -0.107 0.000 1.046 40 V CA -0.467 61.704 62.300 -0.215 0.000 0.934 40 V CB 1.764 33.448 31.823 -0.231 0.000 1.003 40 V HN 0.353 nan 8.190 nan 0.000 0.451 41 D N 4.158 124.515 120.400 -0.071 0.000 2.619 41 D HA 0.241 4.870 4.640 -0.017 0.000 0.224 41 D C -0.036 176.247 176.300 -0.029 0.000 1.133 41 D CA -0.174 53.799 54.000 -0.045 0.000 1.017 41 D CB -0.304 40.473 40.800 -0.038 0.000 1.077 41 D HN 0.459 nan 8.370 nan 0.000 0.503 42 L N 0.985 122.195 121.223 -0.022 0.000 2.282 42 L HA 0.561 4.891 4.340 -0.017 0.000 0.287 42 L C -1.673 175.191 176.870 -0.009 0.000 1.075 42 L CA -1.066 53.768 54.840 -0.010 0.000 0.839 42 L CB 0.747 42.807 42.059 0.001 0.000 1.219 42 L HN -0.013 nan 8.230 nan 0.000 0.434 43 P HA 0.113 nan 4.420 nan 0.000 0.211 43 P C 0.224 177.520 177.300 -0.007 0.000 1.183 43 P CA 0.719 63.814 63.100 -0.009 0.000 0.901 43 P CB 0.263 31.957 31.700 -0.009 0.000 0.762 44 N N -0.682 118.013 118.700 -0.008 0.000 2.389 44 N HA 0.401 5.131 4.740 -0.017 0.000 0.260 44 N C -0.613 174.892 175.510 -0.009 0.000 1.191 44 N CA -0.212 52.834 53.050 -0.008 0.000 0.885 44 N CB 0.302 38.785 38.487 -0.008 0.000 1.162 44 N HN 0.153 nan 8.380 nan 0.000 0.512 45 A N 0.337 123.151 122.820 -0.009 0.000 2.331 45 A HA 0.305 4.615 4.320 -0.017 0.000 0.283 45 A C 0.197 177.773 177.584 -0.015 0.000 1.142 45 A CA -0.350 51.680 52.037 -0.010 0.000 0.812 45 A CB 0.414 19.411 19.000 -0.006 0.000 1.074 45 A HN 0.215 nan 8.150 nan 0.000 0.497 46 Q N 1.499 121.286 119.800 -0.022 0.000 2.388 46 Q HA 0.361 4.691 4.340 -0.017 0.000 0.246 46 Q C 0.309 176.285 176.000 -0.040 0.000 1.246 46 Q CA 0.547 56.331 55.803 -0.032 0.000 0.895 46 Q CB 0.109 28.823 28.738 -0.040 0.000 1.510 46 Q HN 0.778 nan 8.270 nan 0.000 0.503 47 A N 4.366 127.167 122.820 -0.032 0.000 2.451 47 A HA 0.343 4.653 4.320 -0.017 0.000 0.266 47 A C -0.391 177.150 177.584 -0.071 0.000 1.119 47 A CA -0.182 51.835 52.037 -0.035 0.000 0.786 47 A CB -0.023 18.970 19.000 -0.012 0.000 1.061 47 A HN 0.749 nan 8.150 nan 0.000 0.503 48 I N 2.376 122.878 120.570 -0.112 0.000 2.355 48 I HA 0.171 4.331 4.170 -0.017 0.000 0.288 48 I C -0.356 175.664 176.117 -0.160 0.000 0.999 48 I CA -0.388 60.799 61.300 -0.189 0.000 1.163 48 I CB 1.848 39.642 38.000 -0.344 0.000 1.316 48 I HN 0.653 nan 8.210 nan 0.000 0.454 49 D N 5.786 126.118 120.400 -0.113 0.000 2.338 49 D HA 0.251 4.881 4.640 -0.017 0.000 0.255 49 D C -0.171 176.093 176.300 -0.060 0.000 1.237 49 D CA 0.037 53.996 54.000 -0.068 0.000 0.883 49 D CB 0.876 41.662 40.800 -0.023 0.000 1.087 49 D HN 0.243 nan 8.370 nan 0.000 0.485 50 V N 5.372 125.236 119.914 -0.084 0.000 2.737 50 V HA 0.164 4.274 4.120 -0.017 0.000 0.320 50 V C 0.435 176.480 176.094 -0.082 0.000 1.174 50 V CA -0.842 61.419 62.300 -0.065 0.000 1.355 50 V CB -0.549 31.222 31.823 -0.088 0.000 1.558 50 V HN 0.509 nan 8.190 nan 0.000 0.618 51 R N 1.924 122.393 120.500 -0.052 0.000 2.489 51 R HA 0.272 4.602 4.340 -0.017 0.000 0.287 51 R C 0.851 177.113 176.300 -0.062 0.000 1.053 51 R CA 0.957 57.026 56.100 -0.051 0.000 1.036 51 R CB 0.227 30.537 30.300 0.016 0.000 0.966 51 R HN 0.827 nan 8.270 nan 0.000 0.432 52 G N 2.858 111.578 108.800 -0.133 0.000 2.283 52 G HA2 -0.336 3.614 3.960 -0.017 0.000 0.280 52 G HA3 -0.336 3.614 3.960 -0.017 0.000 0.280 52 G C -0.472 174.388 174.900 -0.067 0.000 1.029 52 G CA 0.981 46.021 45.100 -0.100 0.000 0.840 52 G HN 0.677 nan 8.290 nan 0.000 0.505 53 K N -0.171 120.185 120.400 -0.074 0.000 2.427 53 K HA 0.482 4.792 4.320 -0.017 0.000 0.252 53 K C -0.011 176.557 176.600 -0.052 0.000 0.931 53 K CA -0.675 55.587 56.287 -0.042 0.000 0.793 53 K CB 1.539 34.035 32.500 -0.007 0.000 1.211 53 K HN 0.055 nan 8.250 nan 0.000 0.426 54 T N 1.579 116.108 114.554 -0.041 0.000 2.853 54 T HA 0.084 4.424 4.350 -0.017 0.000 0.298 54 T C -0.466 174.213 174.700 -0.035 0.000 0.978 54 T CA -0.325 61.749 62.100 -0.043 0.000 1.152 54 T CB 0.624 69.469 68.868 -0.038 0.000 0.914 54 T HN 0.289 nan 8.240 nan 0.000 0.539 55 V N 7.029 126.917 119.914 -0.043 0.000 2.409 55 V HA 0.786 4.896 4.120 -0.017 0.000 0.291 55 V C -0.517 175.551 176.094 -0.043 0.000 1.020 55 V CA -0.867 61.407 62.300 -0.043 0.000 0.848 55 V CB 0.754 32.549 31.823 -0.046 0.000 0.990 55 V HN 0.953 nan 8.190 nan 0.000 0.430 56 M N 6.042 125.613 119.600 -0.049 0.000 2.691 56 M HA 0.825 5.295 4.480 -0.017 0.000 0.293 56 M C -2.995 173.265 176.300 -0.066 0.000 1.259 56 M CA -2.250 53.029 55.300 -0.035 0.000 0.827 56 M CB 2.091 34.696 32.600 0.008 0.000 1.753 56 M HN 0.266 nan 8.290 nan 0.000 0.465 57 P HA 0.194 nan 4.420 nan 0.000 0.271 57 P C 0.064 177.275 177.300 -0.148 0.000 1.216 57 P CA 0.187 63.253 63.100 -0.055 0.000 0.771 57 P CB 0.301 32.004 31.700 0.004 0.000 0.864 58 G N 2.746 111.406 108.800 -0.234 0.000 2.474 58 G HA2 0.137 4.087 3.960 -0.017 0.000 0.233 58 G HA3 0.137 4.087 3.960 -0.017 0.000 0.233 58 G C -0.517 174.228 174.900 -0.257 0.000 1.278 58 G CA -0.282 44.562 45.100 -0.427 0.000 0.861 58 G HN 0.237 nan 8.290 nan 0.000 0.567 59 F N 0.078 119.940 119.950 -0.147 0.000 2.418 59 F HA 0.469 4.987 4.527 -0.015 0.000 0.341 59 F C 0.797 176.654 175.800 0.095 0.000 1.120 59 F CA -1.126 56.776 58.000 -0.163 0.000 1.232 59 F CB 0.854 39.464 39.000 -0.649 0.000 1.175 59 F HN 0.153 nan 8.300 nan 0.000 0.569 60 I N 2.136 122.923 120.570 0.363 0.000 2.420 60 I HA 0.173 4.333 4.170 -0.017 0.000 0.282 60 I C -0.690 175.654 176.117 0.378 0.000 1.019 60 I CA -0.568 60.937 61.300 0.341 0.000 1.130 60 I CB 1.237 39.360 38.000 0.206 0.000 1.262 60 I HN 0.417 nan 8.210 nan 0.000 0.454 61 D N 5.271 125.918 120.400 0.412 0.000 2.313 61 D HA 0.180 4.810 4.640 -0.017 0.000 0.239 61 D C 0.504 176.921 176.300 0.196 0.000 1.142 61 D CA -0.228 53.968 54.000 0.327 0.000 0.847 61 D CB 1.558 42.368 40.800 0.017 0.000 1.082 61 D HN 0.564 nan 8.370 nan 0.000 0.480 62 C N 2.626 122.037 119.300 0.185 0.000 2.562 62 C HA 0.059 4.509 4.460 -0.017 0.000 0.266 62 C C 0.902 175.926 174.990 0.056 0.000 1.382 62 C CA 0.081 59.151 59.018 0.087 0.000 1.742 62 C CB -1.450 26.324 27.740 0.057 0.000 1.812 62 C HN 0.596 nan 8.230 nan 0.000 0.559 63 H N -0.365 118.676 119.070 -0.048 0.000 3.162 63 H HA 0.506 5.053 4.556 -0.015 0.000 0.309 63 H C -0.888 174.363 175.328 -0.128 0.000 1.156 63 H CA -0.178 55.800 56.048 -0.117 0.000 1.586 63 H CB 0.712 30.384 29.762 -0.150 0.000 1.740 63 H HN 0.092 nan 8.280 nan 0.000 0.525 64 V N 1.314 121.158 119.914 -0.118 0.000 3.078 64 V HA 0.487 4.597 4.120 -0.017 0.000 0.311 64 V C -0.699 175.236 176.094 -0.266 0.000 1.138 64 V CA -0.889 61.374 62.300 -0.062 0.000 1.007 64 V CB 2.477 34.299 31.823 -0.002 0.000 1.045 64 V HN 0.751 nan 8.190 nan 0.000 0.432 65 H N 1.962 121.119 119.070 0.144 0.000 2.530 65 H HA 0.369 4.914 4.556 -0.017 0.000 0.246 65 H C 0.856 176.274 175.328 0.150 0.000 1.346 65 H CA -0.226 55.891 56.048 0.115 0.000 1.424 65 H CB 1.730 31.558 29.762 0.110 0.000 1.445 65 H HN 0.563 nan 8.280 nan 0.000 0.511 66 V N 2.024 122.012 119.914 0.124 0.000 2.527 66 V HA -0.274 3.836 4.120 -0.017 0.000 0.255 66 V C 2.095 178.208 176.094 0.031 0.000 1.081 66 V CA 1.712 64.030 62.300 0.029 0.000 1.092 66 V CB -0.241 31.571 31.823 -0.019 0.000 0.673 66 V HN 0.533 nan 8.190 nan 0.000 0.470 67 L N -0.369 120.907 121.223 0.088 0.000 2.585 67 L HA 0.328 4.658 4.340 -0.017 0.000 0.226 67 L C 1.544 178.461 176.870 0.080 0.000 1.113 67 L CA 0.255 55.132 54.840 0.061 0.000 0.876 67 L CB -0.171 41.919 42.059 0.051 0.000 1.072 67 L HN 0.230 nan 8.230 nan 0.000 0.468 68 A N 0.077 122.990 122.820 0.155 0.000 2.897 68 A HA 0.135 4.444 4.320 -0.017 0.000 0.287 68 A C 1.433 179.105 177.584 0.147 0.000 1.748 68 A CA 0.592 52.702 52.037 0.121 0.000 1.397 68 A CB -0.358 18.713 19.000 0.117 0.000 1.049 68 A HN 0.387 nan 8.150 nan 0.000 0.592 69 S N 1.271 117.004 115.700 0.054 0.000 2.517 69 S HA 0.088 4.548 4.470 -0.017 0.000 0.214 69 S C 0.357 174.951 174.600 -0.010 0.000 0.991 69 S CA 0.195 58.414 58.200 0.031 0.000 0.906 69 S CB -0.425 62.772 63.200 -0.005 0.000 0.789 69 S HN 0.944 nan 8.310 nan 0.000 0.513 70 N N -1.141 117.541 118.700 -0.030 0.000 2.396 70 N HA 0.643 5.373 4.740 -0.017 0.000 0.275 70 N C 0.274 175.746 175.510 -0.063 0.000 1.218 70 N CA -0.345 52.671 53.050 -0.056 0.000 0.812 70 N CB 1.044 39.498 38.487 -0.055 0.000 1.592 70 N HN -0.051 nan 8.380 nan 0.000 0.480 71 A N 0.700 123.492 122.820 -0.047 0.000 2.172 71 A HA -0.075 4.234 4.320 -0.017 0.000 0.216 71 A C 0.768 178.318 177.584 -0.056 0.000 1.154 71 A CA 0.729 52.750 52.037 -0.027 0.000 0.701 71 A CB -0.733 18.300 19.000 0.056 0.000 0.789 71 A HN 0.705 nan 8.150 nan 0.000 0.465 72 N N 0.998 119.653 118.700 -0.075 0.000 2.521 72 N HA 0.259 4.988 4.740 -0.017 0.000 0.236 72 N C 0.636 176.000 175.510 -0.242 0.000 1.067 72 N CA -0.133 52.841 53.050 -0.126 0.000 0.939 72 N CB 0.366 38.803 38.487 -0.084 0.000 1.201 72 N HN 0.343 nan 8.380 nan 0.000 0.511 73 L N 1.895 122.884 121.223 -0.390 0.000 2.191 73 L HA -0.065 4.264 4.340 -0.017 0.000 0.212 73 L C 2.187 178.507 176.870 -0.917 0.000 1.103 73 L CA 1.068 55.514 54.840 -0.656 0.000 0.769 73 L CB -0.349 41.194 42.059 -0.861 0.000 0.908 73 L HN 0.533 nan 8.230 nan 0.000 0.438 74 G N -0.396 107.909 108.800 -0.825 0.000 2.453 74 G HA2 -0.252 3.698 3.960 -0.017 0.000 0.215 74 G HA3 -0.252 3.698 3.960 -0.017 0.000 0.215 74 G C 1.597 176.355 174.900 -0.236 0.000 1.201 74 G CA 0.893 45.714 45.100 -0.465 0.000 0.784 74 G HN 0.179 nan 8.290 nan 0.000 0.545 75 V N 0.986 120.794 119.914 -0.177 0.000 2.667 75 V HA -0.117 3.993 4.120 -0.017 0.000 0.252 75 V C 2.509 178.542 176.094 -0.101 0.000 1.065 75 V CA 2.181 64.420 62.300 -0.101 0.000 1.083 75 V CB -0.440 31.342 31.823 -0.068 0.000 0.692 75 V HN 0.493 nan 8.190 nan 0.000 0.468 76 N N 0.303 118.916 118.700 -0.146 0.000 2.149 76 N HA -0.152 4.578 4.740 -0.017 0.000 0.188 76 N C 1.732 177.191 175.510 -0.085 0.000 1.019 76 N CA 1.640 54.622 53.050 -0.114 0.000 0.857 76 N CB -0.294 38.108 38.487 -0.143 0.000 0.997 76 N HN 0.495 nan 8.380 nan 0.000 0.426 77 A N -0.828 121.926 122.820 -0.111 0.000 2.014 77 A HA -0.073 4.237 4.320 -0.017 0.000 0.218 77 A C 2.061 179.643 177.584 -0.003 0.000 1.163 77 A CA 1.790 53.805 52.037 -0.037 0.000 0.652 77 A CB -0.850 18.144 19.000 -0.011 0.000 0.808 77 A HN 0.543 nan 8.150 nan 0.000 0.449 78 T N -1.304 113.239 114.554 -0.019 0.000 3.107 78 T HA 0.136 4.475 4.350 -0.017 0.000 0.249 78 T C 0.800 175.498 174.700 -0.003 0.000 1.096 78 T CA 0.187 62.286 62.100 -0.002 0.000 1.012 78 T CB -0.457 68.409 68.868 -0.004 0.000 0.977 78 T HN 0.698 nan 8.240 nan 0.000 0.527 79 Q N 1.628 121.422 119.800 -0.010 0.000 2.373 79 Q HA 0.379 4.709 4.340 -0.017 0.000 0.255 79 Q C -2.748 173.253 176.000 0.002 0.000 0.980 79 Q CA -2.070 53.728 55.803 -0.008 0.000 0.882 79 Q CB -0.027 28.701 28.738 -0.016 0.000 1.249 79 Q HN 0.078 nan 8.270 nan 0.000 0.438 80 P HA -0.023 nan 4.420 nan 0.000 0.267 80 P C -0.152 177.153 177.300 0.009 0.000 1.200 80 P CA -0.152 62.952 63.100 0.006 0.000 0.772 80 P CB 0.553 32.255 31.700 0.003 0.000 0.855 81 N N 2.061 120.770 118.700 0.015 0.000 2.043 81 N HA -0.151 4.579 4.740 -0.017 0.000 0.193 81 N C 1.526 177.044 175.510 0.014 0.000 1.037 81 N CA 1.001 54.063 53.050 0.020 0.000 0.851 81 N CB -0.821 37.682 38.487 0.027 0.000 1.027 81 N HN 0.453 nan 8.380 nan 0.000 0.422 82 I N 0.652 121.228 120.570 0.010 0.000 2.315 82 I HA -0.149 4.010 4.170 -0.017 0.000 0.248 82 I C 1.660 177.777 176.117 -0.001 0.000 1.117 82 I CA 1.080 62.383 61.300 0.005 0.000 1.404 82 I CB -0.491 37.511 38.000 0.003 0.000 1.071 82 I HN 0.098 nan 8.210 nan 0.000 0.419 83 L N 1.179 122.401 121.223 -0.002 0.000 2.093 83 L HA -0.137 4.192 4.340 -0.017 0.000 0.208 83 L C 2.902 179.767 176.870 -0.008 0.000 1.085 83 L CA 1.255 56.091 54.840 -0.007 0.000 0.755 83 L CB -0.614 41.440 42.059 -0.008 0.000 0.904 83 L HN 0.311 nan 8.230 nan 0.000 0.435 84 A N -0.201 122.617 122.820 -0.003 0.000 1.933 84 A HA -0.160 4.150 4.320 -0.017 0.000 0.218 84 A C 2.478 180.059 177.584 -0.005 0.000 1.175 84 A CA 1.641 53.676 52.037 -0.002 0.000 0.628 84 A CB -0.568 18.436 19.000 0.007 0.000 0.814 84 A HN 0.422 nan 8.150 nan 0.000 0.444 85 A N 0.343 123.161 122.820 -0.003 0.000 1.841 85 A HA -0.037 4.273 4.320 -0.017 0.000 0.214 85 A C 1.965 179.537 177.584 -0.019 0.000 1.195 85 A CA 1.583 53.615 52.037 -0.009 0.000 0.611 85 A CB -0.597 18.400 19.000 -0.004 0.000 0.835 85 A HN 0.371 nan 8.150 nan 0.000 0.443 86 I N 0.090 120.650 120.570 -0.018 0.000 2.145 86 I HA -0.265 3.895 4.170 -0.017 0.000 0.244 86 I C 2.450 178.548 176.117 -0.031 0.000 1.075 86 I CA 1.686 62.972 61.300 -0.023 0.000 1.332 86 I CB -1.401 36.587 38.000 -0.019 0.000 1.033 86 I HN 0.357 nan 8.210 nan 0.000 0.410 87 R N 0.546 121.029 120.500 -0.030 0.000 2.235 87 R HA -0.059 4.271 4.340 -0.017 0.000 0.213 87 R C 2.305 178.575 176.300 -0.051 0.000 1.059 87 R CA 1.224 57.301 56.100 -0.037 0.000 0.997 87 R CB -0.202 30.080 30.300 -0.031 0.000 0.884 87 R HN 0.522 nan 8.270 nan 0.000 0.462 88 S N 0.363 116.034 115.700 -0.048 0.000 2.489 88 S HA 0.000 4.460 4.470 -0.017 0.000 0.228 88 S C 1.945 176.496 174.600 -0.082 0.000 0.995 88 S CA 0.356 58.515 58.200 -0.067 0.000 0.934 88 S CB -0.135 63.037 63.200 -0.047 0.000 0.771 88 S HN 0.199 nan 8.310 nan 0.000 0.522 89 L N 1.316 122.501 121.223 -0.064 0.000 2.005 89 L HA 0.026 4.356 4.340 -0.017 0.000 0.207 89 L C -0.428 176.402 176.870 -0.067 0.000 1.072 89 L CA 1.264 56.068 54.840 -0.061 0.000 0.744 89 L CB -2.011 40.020 42.059 -0.047 0.000 0.895 89 L HN 0.233 nan 8.230 nan 0.000 0.433 90 P HA -0.233 nan 4.420 nan 0.000 0.217 90 P C 1.835 179.076 177.300 -0.098 0.000 1.162 90 P CA 1.764 64.821 63.100 -0.071 0.000 0.901 90 P CB -0.035 31.623 31.700 -0.070 0.000 0.793 91 I N -1.746 118.736 120.570 -0.148 0.000 2.194 91 I HA -0.251 3.909 4.170 -0.017 0.000 0.246 91 I C 2.439 178.446 176.117 -0.183 0.000 1.093 91 I CA 1.421 62.570 61.300 -0.251 0.000 1.355 91 I CB -0.649 37.100 38.000 -0.417 0.000 1.046 91 I HN -0.096 nan 8.210 nan 0.000 0.413 92 L N -0.052 121.094 121.223 -0.127 0.000 2.093 92 L HA -0.214 4.116 4.340 -0.017 0.000 0.208 92 L C 2.138 178.981 176.870 -0.046 0.000 1.085 92 L CA 1.211 56.002 54.840 -0.082 0.000 0.755 92 L CB -0.431 41.586 42.059 -0.071 0.000 0.904 92 L HN 0.241 nan 8.230 nan 0.000 0.435 93 D N -0.216 120.157 120.400 -0.046 0.000 2.117 93 D HA -0.132 4.498 4.640 -0.017 0.000 0.198 93 D C 2.180 178.478 176.300 -0.005 0.000 0.982 93 D CA 1.263 55.248 54.000 -0.024 0.000 0.828 93 D CB 0.157 40.939 40.800 -0.029 0.000 0.967 93 D HN 0.233 nan 8.370 nan 0.000 0.464 94 A N 0.171 122.981 122.820 -0.016 0.000 1.933 94 A HA -0.166 4.144 4.320 -0.017 0.000 0.218 94 A C 2.302 179.926 177.584 0.066 0.000 1.175 94 A CA 1.330 53.373 52.037 0.010 0.000 0.628 94 A CB -0.546 18.443 19.000 -0.018 0.000 0.814 94 A HN 0.253 nan 8.150 nan 0.000 0.444 95 M N -1.445 118.187 119.600 0.054 0.000 2.117 95 M HA -0.128 4.342 4.480 -0.017 0.000 0.262 95 M C 2.229 178.677 176.300 0.246 0.000 1.065 95 M CA 1.395 56.774 55.300 0.132 0.000 1.114 95 M CB -0.476 32.146 32.600 0.036 0.000 1.361 95 M HN 0.484 nan 8.290 nan 0.000 0.408 96 L N 0.515 121.818 121.223 0.134 0.000 2.027 96 L HA -0.134 4.195 4.340 -0.017 0.000 0.206 96 L C 2.640 179.563 176.870 0.089 0.000 1.074 96 L CA 2.243 57.147 54.840 0.107 0.000 0.745 96 L CB -0.735 41.350 42.059 0.042 0.000 0.898 96 L HN 0.347 nan 8.230 nan 0.000 0.433 97 S N -1.228 114.517 115.700 0.074 0.000 2.481 97 S HA -0.108 4.352 4.470 -0.017 0.000 0.231 97 S C 1.879 176.532 174.600 0.089 0.000 0.996 97 S CA 0.366 58.597 58.200 0.052 0.000 0.942 97 S CB -0.631 62.586 63.200 0.028 0.000 0.768 97 S HN 0.509 nan 8.310 nan 0.000 0.520 98 R N 0.870 121.480 120.500 0.184 0.000 2.323 98 R HA 0.203 4.533 4.340 -0.017 0.000 0.198 98 R C 1.472 177.907 176.300 0.225 0.000 0.988 98 R CA 0.442 56.704 56.100 0.269 0.000 1.041 98 R CB -0.391 30.183 30.300 0.456 0.000 0.926 98 R HN 0.630 nan 8.270 nan 0.000 0.476 99 G N 0.454 109.294 108.800 0.067 0.000 2.157 99 G HA2 -0.265 3.685 3.960 -0.017 0.000 0.239 99 G HA3 -0.265 3.685 3.960 -0.017 0.000 0.239 99 G C -0.099 174.545 174.900 -0.427 0.000 0.982 99 G CA -0.521 44.416 45.100 -0.272 0.000 0.650 99 G HN 0.217 nan 8.290 nan 0.000 0.527 100 F N 1.970 121.981 119.950 0.102 0.000 2.421 100 F HA 0.465 4.981 4.527 -0.018 0.000 0.358 100 F C 1.817 177.631 175.800 0.022 0.000 1.115 100 F CA 0.603 58.677 58.000 0.122 0.000 1.160 100 F CB 1.494 40.602 39.000 0.180 0.000 1.123 100 F HN 0.099 nan 8.300 nan 0.000 0.508 101 T N -2.355 112.268 114.554 0.116 0.000 3.014 101 T HA 0.207 4.547 4.350 -0.017 0.000 0.250 101 T C 0.553 175.316 174.700 0.105 0.000 1.060 101 T CA -0.032 62.103 62.100 0.057 0.000 1.040 101 T CB 0.162 69.015 68.868 -0.025 0.000 0.971 101 T HN 0.319 nan 8.240 nan 0.000 0.497 102 S N 0.864 116.678 115.700 0.189 0.000 2.548 102 S HA 0.740 5.200 4.470 -0.017 0.000 0.286 102 S C -0.963 173.796 174.600 0.265 0.000 1.098 102 S CA -0.762 57.572 58.200 0.224 0.000 0.930 102 S CB 2.262 65.655 63.200 0.322 0.000 1.070 102 S HN 0.564 nan 8.310 nan 0.000 0.480 103 V N 0.686 120.737 119.914 0.229 0.000 2.841 103 V HA 0.671 4.781 4.120 -0.017 0.000 0.310 103 V C -0.643 175.594 176.094 0.238 0.000 1.090 103 V CA -1.120 61.292 62.300 0.186 0.000 0.930 103 V CB 1.761 33.632 31.823 0.080 0.000 1.014 103 V HN 0.857 nan 8.190 nan 0.000 0.425 104 R N 2.094 122.696 120.500 0.170 0.000 2.230 104 R HA 0.366 4.695 4.340 -0.017 0.000 0.337 104 R C -0.522 175.767 176.300 -0.018 0.000 1.063 104 R CA -0.327 55.850 56.100 0.127 0.000 0.935 104 R CB 0.464 30.794 30.300 0.050 0.000 1.121 104 R HN 1.023 nan 8.270 nan 0.000 0.486 105 D N 2.431 122.817 120.400 -0.025 0.000 2.390 105 D HA 0.086 4.716 4.640 -0.017 0.000 0.249 105 D C 0.256 176.425 176.300 -0.218 0.000 1.144 105 D CA 0.134 54.058 54.000 -0.126 0.000 0.880 105 D CB 1.216 41.979 40.800 -0.062 0.000 1.182 105 D HN 0.586 nan 8.370 nan 0.000 0.451 106 A N 3.507 126.057 122.820 -0.451 0.000 2.532 106 A HA 0.583 4.893 4.320 -0.017 0.000 0.273 106 A C 0.634 178.122 177.584 -0.161 0.000 1.342 106 A CA 0.251 51.986 52.037 -0.504 0.000 0.929 106 A CB -0.600 17.713 19.000 -1.144 0.000 1.051 106 A HN 0.809 nan 8.150 nan 0.000 0.521 107 G N -2.454 106.320 108.800 -0.043 0.000 3.088 107 G HA2 0.498 4.448 3.960 -0.017 0.000 0.620 107 G HA3 0.498 4.448 3.960 -0.017 0.000 0.620 107 G C 0.485 175.484 174.900 0.164 0.000 1.375 107 G CA 0.221 45.379 45.100 0.096 0.000 1.016 107 G HN 1.938 nan 8.290 nan 0.000 0.590 108 G N 0.563 109.408 108.800 0.074 0.000 3.038 108 G HA2 0.437 4.387 3.960 -0.017 0.000 0.197 108 G HA3 0.437 4.387 3.960 -0.017 0.000 0.197 108 G C 1.093 176.012 174.900 0.033 0.000 1.925 108 G CA 1.321 46.462 45.100 0.068 0.000 1.405 108 G HN 2.547 nan 8.290 nan 0.000 0.524 109 A N 1.545 124.379 122.820 0.024 0.000 2.445 109 A HA 0.565 4.875 4.320 -0.017 0.000 0.242 109 A C 0.291 177.884 177.584 0.015 0.000 1.075 109 A CA 1.232 53.275 52.037 0.010 0.000 0.777 109 A CB 0.109 19.105 19.000 -0.008 0.000 1.013 109 A HN 1.173 nan 8.150 nan 0.000 0.493 110 D N -0.225 120.193 120.400 0.029 0.000 2.585 110 D HA 0.139 4.769 4.640 -0.017 0.000 0.254 110 D C 0.557 176.924 176.300 0.113 0.000 1.067 110 D CA -0.854 53.193 54.000 0.077 0.000 1.090 110 D CB -0.110 40.748 40.800 0.097 0.000 1.408 110 D HN 0.557 nan 8.370 nan 0.000 0.554 111 W N 0.910 122.191 121.300 -0.032 0.000 2.331 111 W HA -0.193 4.456 4.660 -0.017 0.000 0.291 111 W C 1.708 178.207 176.519 -0.034 0.000 1.214 111 W CA 2.611 59.935 57.345 -0.035 0.000 1.228 111 W CB -0.137 29.308 29.460 -0.026 0.000 1.135 111 W HN 0.372 nan 8.180 nan 0.000 0.537 112 S N 0.399 116.164 115.700 0.109 0.000 2.402 112 S HA -0.191 4.268 4.470 -0.017 0.000 0.229 112 S C 1.899 176.377 174.600 -0.202 0.000 1.021 112 S CA 1.230 59.368 58.200 -0.103 0.000 0.974 112 S CB -0.762 62.491 63.200 0.087 0.000 0.800 112 S HN 0.388 nan 8.310 nan 0.000 0.484 113 L N 0.966 122.116 121.223 -0.122 0.000 2.072 113 L HA 0.013 4.343 4.340 -0.017 0.000 0.205 113 L C 2.648 179.404 176.870 -0.190 0.000 1.079 113 L CA 1.385 56.150 54.840 -0.125 0.000 0.752 113 L CB -0.381 41.635 42.059 -0.071 0.000 0.906 113 L HN 0.403 nan 8.230 nan 0.000 0.436 114 M N -0.778 118.685 119.600 -0.228 0.000 2.108 114 M HA -0.312 4.158 4.480 -0.017 0.000 0.257 114 M C 2.191 178.268 176.300 -0.372 0.000 1.071 114 M CA 1.834 56.959 55.300 -0.291 0.000 1.093 114 M CB -0.106 32.313 32.600 -0.300 0.000 1.345 114 M HN 0.243 nan 8.290 nan 0.000 0.403 115 Q N 0.020 119.496 119.800 -0.540 0.000 2.119 115 Q HA -0.051 4.279 4.340 -0.017 0.000 0.201 115 Q C 2.228 178.035 176.000 -0.322 0.000 0.972 115 Q CA 1.779 57.251 55.803 -0.551 0.000 0.847 115 Q CB -0.635 27.583 28.738 -0.868 0.000 0.903 115 Q HN 0.735 nan 8.270 nan 0.000 0.433 116 A N 0.805 123.471 122.820 -0.257 0.000 1.933 116 A HA -0.140 4.170 4.320 -0.017 0.000 0.218 116 A C 2.264 179.765 177.584 -0.138 0.000 1.175 116 A CA 1.914 53.852 52.037 -0.165 0.000 0.628 116 A CB -0.729 18.194 19.000 -0.128 0.000 0.814 116 A HN 0.303 nan 8.150 nan 0.000 0.444 117 V N -2.707 117.118 119.914 -0.149 0.000 2.591 117 V HA -0.076 4.034 4.120 -0.017 0.000 0.249 117 V C 1.813 177.834 176.094 -0.123 0.000 1.053 117 V CA 2.156 64.383 62.300 -0.121 0.000 1.068 117 V CB -0.681 31.073 31.823 -0.115 0.000 0.689 117 V HN 0.552 nan 8.190 nan 0.000 0.462 118 E N 1.148 121.254 120.200 -0.157 0.000 2.216 118 E HA -0.087 4.253 4.350 -0.017 0.000 0.192 118 E C 2.031 178.562 176.600 -0.114 0.000 0.988 118 E CA 1.503 57.818 56.400 -0.142 0.000 0.834 118 E CB -0.051 29.544 29.700 -0.176 0.000 0.772 118 E HN 0.881 nan 8.360 nan 0.000 0.479 119 T N -2.942 111.539 114.554 -0.122 0.000 3.188 119 T HA 0.231 4.571 4.350 -0.017 0.000 0.250 119 T C 1.309 175.964 174.700 -0.074 0.000 1.077 119 T CA 0.249 62.294 62.100 -0.092 0.000 0.967 119 T CB 0.478 69.288 68.868 -0.098 0.000 1.006 119 T HN 0.180 nan 8.240 nan 0.000 0.552 120 G N 1.306 110.060 108.800 -0.077 0.000 2.283 120 G HA2 -0.239 3.711 3.960 -0.017 0.000 0.280 120 G HA3 -0.239 3.711 3.960 -0.017 0.000 0.280 120 G C 0.475 175.342 174.900 -0.056 0.000 1.029 120 G CA 0.446 45.509 45.100 -0.061 0.000 0.840 120 G HN 0.532 nan 8.290 nan 0.000 0.505 121 L N -1.103 120.081 121.223 -0.065 0.000 2.478 121 L HA 0.478 4.808 4.340 -0.017 0.000 0.223 121 L C 1.052 177.890 176.870 -0.053 0.000 1.140 121 L CA 0.886 55.693 54.840 -0.057 0.000 0.842 121 L CB 0.512 42.532 42.059 -0.064 0.000 0.953 121 L HN 0.220 nan 8.230 nan 0.000 0.452 122 V N -1.893 117.985 119.914 -0.059 0.000 2.969 122 V HA 0.298 4.407 4.120 -0.017 0.000 0.304 122 V C -0.650 175.412 176.094 -0.054 0.000 1.192 122 V CA -0.819 61.447 62.300 -0.056 0.000 0.962 122 V CB 2.244 34.029 31.823 -0.064 0.000 1.045 122 V HN -0.066 nan 8.190 nan 0.000 0.428 123 S N 2.253 117.926 115.700 -0.045 0.000 2.438 123 S HA 0.866 5.326 4.470 -0.017 0.000 0.293 123 S C 0.054 174.632 174.600 -0.037 0.000 1.141 123 S CA 0.524 58.701 58.200 -0.038 0.000 1.080 123 S CB 0.576 63.758 63.200 -0.029 0.000 0.978 123 S HN 1.535 nan 8.310 nan 0.000 0.479 124 G N 4.620 113.399 108.800 -0.035 0.000 2.322 124 G HA2 0.429 4.379 3.960 -0.017 0.000 0.295 124 G HA3 0.429 4.379 3.960 -0.017 0.000 0.295 124 G C -3.609 171.278 174.900 -0.020 0.000 1.369 124 G CA -0.847 44.238 45.100 -0.026 0.000 0.821 124 G HN 0.500 nan 8.290 nan 0.000 0.536 125 P HA 0.325 nan 4.420 nan 0.000 0.272 125 P C -0.155 177.121 177.300 -0.040 0.000 1.240 125 P CA -0.555 62.554 63.100 0.015 0.000 0.791 125 P CB 0.521 32.266 31.700 0.076 0.000 0.978 126 R N 1.799 122.263 120.500 -0.060 0.000 2.484 126 R HA 0.147 4.477 4.340 -0.017 0.000 0.293 126 R C -0.488 175.684 176.300 -0.212 0.000 1.023 126 R CA 0.097 56.095 56.100 -0.170 0.000 1.037 126 R CB -0.619 29.558 30.300 -0.204 0.000 0.951 126 R HN 0.386 nan 8.270 nan 0.000 0.418 127 I N 5.326 125.729 120.570 -0.279 0.000 2.359 127 I HA 0.197 4.357 4.170 -0.017 0.000 0.294 127 I C -0.549 175.334 176.117 -0.390 0.000 0.987 127 I CA -0.491 60.682 61.300 -0.212 0.000 1.225 127 I CB 1.200 39.121 38.000 -0.131 0.000 1.366 127 I HN 0.504 nan 8.210 nan 0.000 0.466 128 F N 7.347 127.288 119.950 -0.015 0.000 2.303 128 F HA 0.358 4.875 4.527 -0.017 0.000 0.368 128 F C -2.068 173.713 175.800 -0.031 0.000 1.105 128 F CA -2.242 55.752 58.000 -0.012 0.000 1.153 128 F CB 0.484 39.487 39.000 0.004 0.000 1.362 128 F HN 0.209 nan 8.300 nan 0.000 0.511 129 P HA 0.164 nan 4.420 nan 0.000 0.278 129 P C 0.072 177.385 177.300 0.021 0.000 1.238 129 P CA -0.244 62.878 63.100 0.037 0.000 0.794 129 P CB 1.769 33.491 31.700 0.036 0.000 0.955 130 S N 0.756 116.446 115.700 -0.017 0.000 2.517 130 S HA 0.268 4.728 4.470 -0.017 0.000 0.214 130 S C 1.298 175.872 174.600 -0.043 0.000 0.991 130 S CA 0.546 58.718 58.200 -0.047 0.000 0.906 130 S CB -0.540 62.621 63.200 -0.066 0.000 0.789 130 S HN 0.872 nan 8.310 nan 0.000 0.513 131 G N 2.330 111.115 108.800 -0.025 0.000 2.595 131 G HA2 -0.277 3.673 3.960 -0.017 0.000 0.297 131 G HA3 -0.277 3.673 3.960 -0.017 0.000 0.297 131 G C -0.501 174.357 174.900 -0.069 0.000 1.181 131 G CA 0.099 45.173 45.100 -0.045 0.000 0.963 131 G HN 0.461 nan 8.290 nan 0.000 0.541 132 K N 0.986 121.316 120.400 -0.117 0.000 2.324 132 K HA 0.709 5.018 4.320 -0.017 0.000 0.253 132 K C 0.196 176.759 176.600 -0.061 0.000 0.932 132 K CA -0.234 55.989 56.287 -0.106 0.000 0.799 132 K CB 2.306 34.675 32.500 -0.217 0.000 1.154 132 K HN 1.095 nan 8.250 nan 0.000 0.425 133 A N 3.549 126.367 122.820 -0.003 0.000 2.565 133 A HA 0.060 4.370 4.320 -0.017 0.000 0.237 133 A C 0.108 177.710 177.584 0.029 0.000 1.053 133 A CA 0.071 52.127 52.037 0.031 0.000 0.755 133 A CB -0.214 18.833 19.000 0.078 0.000 0.980 133 A HN 0.660 nan 8.150 nan 0.000 0.506 134 L N 2.866 124.130 121.223 0.068 0.000 2.260 134 L HA 0.374 4.704 4.340 -0.017 0.000 0.289 134 L C 0.634 177.652 176.870 0.246 0.000 1.057 134 L CA -0.041 54.878 54.840 0.132 0.000 0.811 134 L CB 0.928 43.050 42.059 0.105 0.000 1.184 134 L HN 0.706 nan 8.230 nan 0.000 0.429 135 S N 2.872 118.657 115.700 0.143 0.000 2.482 135 S HA 0.395 4.855 4.470 -0.017 0.000 0.303 135 S C -0.314 174.217 174.600 -0.115 0.000 1.091 135 S CA -0.812 57.379 58.200 -0.014 0.000 1.057 135 S CB 1.602 64.731 63.200 -0.119 0.000 1.031 135 S HN 0.669 nan 8.310 nan 0.000 0.485 136 Q N 2.339 121.793 119.800 -0.576 0.000 2.584 136 Q HA 0.312 4.642 4.340 -0.017 0.000 0.218 136 Q C -0.409 175.461 176.000 -0.216 0.000 1.079 136 Q CA -0.243 55.286 55.803 -0.456 0.000 1.008 136 Q CB -0.240 28.069 28.738 -0.714 0.000 1.267 136 Q HN 0.469 nan 8.270 nan 0.000 0.586 137 T N 0.726 115.201 114.554 -0.130 0.000 2.834 137 T HA 0.387 4.727 4.350 -0.017 0.000 0.298 137 T C 0.795 175.437 174.700 -0.097 0.000 0.966 137 T CA 0.655 62.704 62.100 -0.085 0.000 1.141 137 T CB 0.208 69.051 68.868 -0.041 0.000 0.905 137 T HN 0.961 nan 8.240 nan 0.000 0.535 138 G N 2.863 111.606 108.800 -0.096 0.000 2.179 138 G HA2 -0.155 3.795 3.960 -0.017 0.000 0.257 138 G HA3 -0.155 3.795 3.960 -0.017 0.000 0.257 138 G C 0.488 175.323 174.900 -0.108 0.000 1.010 138 G CA -0.073 44.974 45.100 -0.088 0.000 0.736 138 G HN 1.101 nan 8.290 nan 0.000 0.513 139 G N -1.998 106.708 108.800 -0.155 0.000 2.532 139 G HA2 0.468 4.418 3.960 -0.017 0.000 0.291 139 G HA3 0.468 4.418 3.960 -0.017 0.000 0.291 139 G C 0.580 175.387 174.900 -0.155 0.000 1.349 139 G CA 0.351 45.359 45.100 -0.152 0.000 1.038 139 G HN 0.519 nan 8.290 nan 0.000 0.518 140 H N -1.037 117.905 119.070 -0.213 0.000 2.543 140 H HA 0.003 4.549 4.556 -0.016 0.000 0.286 140 H C 2.165 177.238 175.328 -0.425 0.000 1.037 140 H CA 1.788 57.687 56.048 -0.249 0.000 1.250 140 H CB 0.020 29.630 29.762 -0.253 0.000 1.373 140 H HN 0.410 nan 8.280 nan 0.000 0.580 141 G N -1.399 107.090 108.800 -0.518 0.000 2.939 141 G HA2 -0.047 3.903 3.960 -0.017 0.000 0.216 141 G HA3 -0.047 3.903 3.960 -0.017 0.000 0.216 141 G C -0.105 174.290 174.900 -0.842 0.000 1.125 141 G CA -0.052 44.629 45.100 -0.699 0.000 0.766 141 G HN 0.287 nan 8.290 nan 0.000 0.541 142 D N 0.415 120.451 120.400 -0.606 0.000 2.336 142 D HA 0.227 4.856 4.640 -0.017 0.000 0.249 142 D C -0.190 175.820 176.300 -0.484 0.000 1.213 142 D CA -0.665 53.091 54.000 -0.407 0.000 0.870 142 D CB 0.541 41.213 40.800 -0.212 0.000 1.076 142 D HN 0.038 nan 8.370 nan 0.000 0.483 143 F N 2.301 122.223 119.950 -0.046 0.000 2.641 143 F HA 0.241 4.757 4.527 -0.018 0.000 0.302 143 F C 1.237 177.022 175.800 -0.024 0.000 1.098 143 F CA -0.393 57.580 58.000 -0.045 0.000 1.318 143 F CB 0.043 39.012 39.000 -0.052 0.000 1.035 143 F HN -0.003 nan 8.300 nan 0.000 0.551 144 R N 2.497 123.045 120.500 0.080 0.000 2.442 144 R HA 0.176 4.506 4.340 -0.017 0.000 0.291 144 R C -2.160 174.167 176.300 0.046 0.000 1.069 144 R CA -1.484 54.651 56.100 0.058 0.000 1.022 144 R CB -0.113 30.203 30.300 0.027 0.000 0.976 144 R HN -0.036 nan 8.270 nan 0.000 0.443 145 P HA 0.024 nan 4.420 nan 0.000 0.272 145 P C -0.784 176.530 177.300 0.022 0.000 1.230 145 P CA -0.466 62.656 63.100 0.036 0.000 0.788 145 P CB 0.600 32.320 31.700 0.033 0.000 0.949 146 R N 1.088 121.599 120.500 0.018 0.000 2.586 146 R HA 0.213 4.542 4.340 -0.017 0.000 0.346 146 R C 0.885 177.191 176.300 0.010 0.000 1.044 146 R CA 0.235 56.342 56.100 0.011 0.000 1.004 146 R CB -0.942 29.365 30.300 0.010 0.000 0.968 146 R HN 0.649 nan 8.270 nan 0.000 0.438 151 E N 4.049 124.252 120.200 0.005 0.000 2.916 151 E HA 0.420 4.760 4.350 -0.017 0.000 0.217 151 E C -2.367 174.237 176.600 0.007 0.000 1.100 151 E CA -1.394 55.009 56.400 0.006 0.000 0.891 151 E CB 0.815 30.517 29.700 0.004 0.000 1.311 151 E HN 0.387 nan 8.360 nan 0.000 0.421 152 P HA 0.194 nan 4.420 nan 0.000 0.282 152 P C 0.622 177.929 177.300 0.012 0.000 1.262 152 P CA -0.379 62.727 63.100 0.009 0.000 0.773 152 P CB 1.129 32.835 31.700 0.010 0.000 0.879 153 C N 1.454 120.759 119.300 0.009 0.000 2.762 153 C HA 0.187 4.637 4.460 -0.017 0.000 0.288 153 C C 0.895 175.895 174.990 0.016 0.000 1.272 153 C CA 1.770 60.795 59.018 0.011 0.000 1.729 153 C CB -0.697 27.047 27.740 0.006 0.000 2.135 153 C HN 0.926 nan 8.230 nan 0.000 0.482 154 S N -2.870 112.832 115.700 0.003 0.000 2.680 154 S HA -0.111 4.349 4.470 -0.017 0.000 0.851 154 S C -0.376 174.200 174.600 -0.039 0.000 0.790 154 S CA -0.254 57.944 58.200 -0.002 0.000 1.577 154 S CB -1.202 62.014 63.200 0.028 0.000 1.137 154 S HN 0.573 nan 8.310 nan 0.000 0.216 155 C N 4.384 123.641 119.300 -0.072 0.000 2.674 155 C HA 0.510 4.960 4.460 -0.017 0.000 0.276 155 C C 1.203 176.031 174.990 -0.271 0.000 1.300 155 C CA 0.731 59.668 59.018 -0.135 0.000 1.732 155 C CB -0.682 26.998 27.740 -0.100 0.000 2.076 155 C HN 0.862 nan 8.230 nan 0.000 0.548 156 C N -0.441 118.715 119.300 -0.239 0.000 2.797 156 C HA 0.509 4.959 4.460 -0.017 0.000 0.306 156 C C -0.689 174.207 174.990 -0.157 0.000 1.207 156 C CA -0.878 57.962 59.018 -0.296 0.000 1.507 156 C CB 0.619 28.278 27.740 -0.134 0.000 2.028 156 C HN 0.461 nan 8.230 nan 0.000 0.475 157 F N 3.885 123.847 119.950 0.020 0.000 2.404 157 F HA 0.315 4.832 4.527 -0.017 0.000 0.359 157 F C 1.162 176.977 175.800 0.026 0.000 1.134 157 F CA -0.503 57.512 58.000 0.025 0.000 1.160 157 F CB 0.502 39.518 39.000 0.027 0.000 1.186 157 F HN 0.342 nan 8.300 nan 0.000 0.526 158 R N 1.731 122.367 120.500 0.227 0.000 2.401 158 R HA 0.054 4.383 4.340 -0.017 0.000 0.299 158 R C 1.204 177.572 176.300 0.113 0.000 1.064 158 R CA 0.088 56.265 56.100 0.129 0.000 1.000 158 R CB 0.319 30.677 30.300 0.097 0.000 0.973 158 R HN 0.683 nan 8.270 nan 0.000 0.438 159 T N -0.958 113.647 114.554 0.085 0.000 3.051 159 T HA -0.072 4.268 4.350 -0.017 0.000 0.269 159 T C 1.724 176.452 174.700 0.046 0.000 1.127 159 T CA 0.986 63.125 62.100 0.066 0.000 1.107 159 T CB 0.065 68.965 68.868 0.053 0.000 0.898 159 T HN 0.669 nan 8.240 nan 0.000 0.517 160 G N 0.808 109.632 108.800 0.040 0.000 2.813 160 G HA2 0.447 4.397 3.960 -0.017 0.000 0.209 160 G HA3 0.447 4.397 3.960 -0.017 0.000 0.209 160 G C 0.537 175.451 174.900 0.023 0.000 1.150 160 G CA 0.010 45.123 45.100 0.022 0.000 0.785 160 G HN 0.806 nan 8.290 nan 0.000 0.535 161 A N 0.614 123.465 122.820 0.051 0.000 2.320 161 A HA 0.568 4.878 4.320 -0.017 0.000 0.287 161 A C 1.181 178.807 177.584 0.071 0.000 1.181 161 A CA -0.540 51.540 52.037 0.072 0.000 0.831 161 A CB 0.563 19.629 19.000 0.111 0.000 1.102 161 A HN 0.023 nan 8.150 nan 0.000 0.513 162 I N 1.342 121.973 120.570 0.101 0.000 2.353 162 I HA -0.024 4.136 4.170 -0.017 0.000 0.248 162 I C 1.485 177.656 176.117 0.090 0.000 1.119 162 I CA 1.711 63.076 61.300 0.109 0.000 1.417 162 I CB -1.332 36.726 38.000 0.097 0.000 1.078 162 I HN 0.695 nan 8.210 nan 0.000 0.421 163 A N 0.680 123.554 122.820 0.091 0.000 2.524 163 A HA 0.825 5.135 4.320 -0.017 0.000 0.286 163 A C -0.300 177.284 177.584 0.001 0.000 1.203 163 A CA -0.675 51.377 52.037 0.024 0.000 0.736 163 A CB 1.623 20.615 19.000 -0.014 0.000 1.322 163 A HN 0.243 nan 8.150 nan 0.000 0.424 164 R N -0.524 119.966 120.500 -0.017 0.000 2.725 164 R HA 0.712 5.042 4.340 -0.017 0.000 0.277 164 R C -1.934 174.395 176.300 0.048 0.000 0.987 164 R CA -0.722 55.394 56.100 0.026 0.000 0.901 164 R CB 1.595 31.874 30.300 -0.035 0.000 1.207 164 R HN 0.309 nan 8.270 nan 0.000 0.463 165 V N 2.907 122.865 119.914 0.073 0.000 2.364 165 V HA 0.397 4.507 4.120 -0.017 0.000 0.272 165 V C -0.146 176.001 176.094 0.089 0.000 1.036 165 V CA -0.406 61.923 62.300 0.048 0.000 0.880 165 V CB 1.071 32.903 31.823 0.015 0.000 0.991 165 V HN 0.624 nan 8.190 nan 0.000 0.460 166 V N 1.885 121.871 119.914 0.120 0.000 2.888 166 V HA 0.779 4.889 4.120 -0.017 0.000 0.309 166 V C -1.133 175.082 176.094 0.201 0.000 1.114 166 V CA -0.904 61.479 62.300 0.139 0.000 0.940 166 V CB 2.173 34.073 31.823 0.128 0.000 1.021 166 V HN 0.745 nan 8.190 nan 0.000 0.426 167 D N 1.011 121.501 120.400 0.150 0.000 2.523 167 D HA 0.834 5.464 4.640 -0.017 0.000 0.236 167 D C 0.139 176.508 176.300 0.116 0.000 1.094 167 D CA 0.426 54.529 54.000 0.173 0.000 0.942 167 D CB 1.824 42.685 40.800 0.102 0.000 1.447 167 D HN 1.484 nan 8.370 nan 0.000 0.479 168 G N -1.048 107.819 108.800 0.112 0.000 2.721 168 G HA2 -0.163 3.787 3.960 -0.017 0.000 0.686 168 G HA3 -0.163 3.787 3.960 -0.017 0.000 0.686 168 G C 0.645 175.564 174.900 0.032 0.000 1.236 168 G CA -0.441 44.697 45.100 0.062 0.000 0.786 168 G HN 0.422 nan 8.290 nan 0.000 0.616 169 V N 1.502 121.425 119.914 0.016 0.000 2.332 169 V HA -0.166 3.944 4.120 -0.017 0.000 0.248 169 V C 2.679 178.766 176.094 -0.011 0.000 1.055 169 V CA 2.766 65.061 62.300 -0.009 0.000 1.038 169 V CB -0.431 31.390 31.823 -0.004 0.000 0.651 169 V HN 0.784 nan 8.190 nan 0.000 0.450 170 E N 0.550 120.751 120.200 0.002 0.000 2.072 170 E HA -0.087 4.253 4.350 -0.017 0.000 0.190 170 E C 2.403 179.006 176.600 0.005 0.000 0.982 170 E CA 1.288 57.689 56.400 0.002 0.000 0.803 170 E CB -0.874 28.830 29.700 0.006 0.000 0.755 170 E HN 0.581 nan 8.360 nan 0.000 0.453 171 G N 1.960 110.770 108.800 0.017 0.000 2.513 171 G HA2 -0.288 3.662 3.960 -0.017 0.000 0.219 171 G HA3 -0.288 3.662 3.960 -0.017 0.000 0.219 171 G C 1.839 176.750 174.900 0.018 0.000 1.160 171 G CA 2.240 47.358 45.100 0.029 0.000 0.767 171 G HN 0.315 nan 8.290 nan 0.000 0.571 172 V N -1.720 118.188 119.914 -0.010 0.000 2.453 172 V HA 0.069 4.179 4.120 -0.017 0.000 0.247 172 V C 2.521 178.581 176.094 -0.056 0.000 1.048 172 V CA 1.813 64.078 62.300 -0.058 0.000 1.049 172 V CB -0.624 31.094 31.823 -0.175 0.000 0.672 172 V HN 0.269 nan 8.190 nan 0.000 0.457 173 R N -0.235 120.239 120.500 -0.044 0.000 2.094 173 R HA -0.168 4.162 4.340 -0.017 0.000 0.239 173 R C 2.358 178.646 176.300 -0.021 0.000 1.137 173 R CA 2.294 58.374 56.100 -0.033 0.000 0.943 173 R CB -0.700 29.586 30.300 -0.023 0.000 0.850 173 R HN 0.549 nan 8.270 nan 0.000 0.433 174 L N 0.646 121.865 121.223 -0.007 0.000 2.046 174 L HA -0.101 4.229 4.340 -0.017 0.000 0.208 174 L C 2.260 179.136 176.870 0.010 0.000 1.077 174 L CA 2.045 56.888 54.840 0.004 0.000 0.747 174 L CB -0.794 41.273 42.059 0.014 0.000 0.896 174 L HN 0.177 nan 8.230 nan 0.000 0.432 175 A N -0.908 121.920 122.820 0.013 0.000 1.892 175 A HA -0.218 4.091 4.320 -0.017 0.000 0.218 175 A C 2.257 179.833 177.584 -0.013 0.000 1.188 175 A CA 2.543 54.590 52.037 0.016 0.000 0.631 175 A CB -1.267 17.742 19.000 0.015 0.000 0.822 175 A HN 0.333 nan 8.150 nan 0.000 0.447 176 V N -0.182 119.714 119.914 -0.031 0.000 2.261 176 V HA -0.290 3.820 4.120 -0.017 0.000 0.246 176 V C 2.575 178.648 176.094 -0.035 0.000 1.047 176 V CA 2.287 64.561 62.300 -0.043 0.000 1.015 176 V CB -0.939 30.852 31.823 -0.054 0.000 0.642 176 V HN 0.535 nan 8.190 nan 0.000 0.446 177 R N -0.128 120.357 120.500 -0.026 0.000 2.117 177 R HA -0.222 4.107 4.340 -0.017 0.000 0.243 177 R C 2.322 178.610 176.300 -0.020 0.000 1.143 177 R CA 1.917 58.004 56.100 -0.023 0.000 0.968 177 R CB -0.329 29.961 30.300 -0.016 0.000 0.863 177 R HN 0.646 nan 8.270 nan 0.000 0.444 178 E N 0.112 120.308 120.200 -0.008 0.000 2.028 178 E HA -0.168 4.171 4.350 -0.017 0.000 0.191 178 E C 1.988 178.579 176.600 -0.015 0.000 0.988 178 E CA 0.905 57.307 56.400 0.004 0.000 0.799 178 E CB 0.090 29.817 29.700 0.046 0.000 0.755 178 E HN 0.239 nan 8.360 nan 0.000 0.447 179 E N 0.519 120.701 120.200 -0.031 0.000 2.110 179 E HA -0.161 4.179 4.350 -0.017 0.000 0.193 179 E C 2.132 178.704 176.600 -0.046 0.000 0.988 179 E CA 0.717 57.088 56.400 -0.049 0.000 0.804 179 E CB -0.159 29.502 29.700 -0.066 0.000 0.745 179 E HN 0.308 nan 8.360 nan 0.000 0.458 180 I N 1.145 121.687 120.570 -0.046 0.000 2.252 180 I HA -0.255 3.905 4.170 -0.017 0.000 0.245 180 I C 2.723 178.803 176.117 -0.061 0.000 1.102 180 I CA 1.025 62.297 61.300 -0.047 0.000 1.385 180 I CB -0.094 37.881 38.000 -0.043 0.000 1.064 180 I HN 0.054 nan 8.210 nan 0.000 0.414 181 Q N 1.180 120.942 119.800 -0.063 0.000 2.124 181 Q HA -0.217 4.113 4.340 -0.017 0.000 0.202 181 Q C 1.967 177.884 176.000 -0.138 0.000 0.977 181 Q CA 1.537 57.286 55.803 -0.089 0.000 0.850 181 Q CB 0.021 28.719 28.738 -0.066 0.000 0.901 181 Q HN 0.479 nan 8.270 nan 0.000 0.429 182 K N -1.140 119.198 120.400 -0.104 0.000 2.439 182 K HA -0.001 4.308 4.320 -0.017 0.000 0.197 182 K C 0.757 177.266 176.600 -0.152 0.000 1.041 182 K CA 0.643 56.857 56.287 -0.122 0.000 0.970 182 K CB 0.203 32.682 32.500 -0.035 0.000 0.773 182 K HN 0.396 nan 8.250 nan 0.000 0.479 183 G N 0.952 109.685 108.800 -0.111 0.000 2.181 183 G HA2 -0.168 3.782 3.960 -0.017 0.000 0.152 183 G HA3 -0.168 3.782 3.960 -0.017 0.000 0.152 183 G C 0.033 174.986 174.900 0.089 0.000 1.026 183 G CA -0.197 44.871 45.100 -0.055 0.000 0.699 183 G HN 0.395 nan 8.290 nan 0.000 0.497 184 A N -0.085 122.754 122.820 0.032 0.000 2.425 184 A HA 0.686 4.996 4.320 -0.017 0.000 0.242 184 A C 1.657 179.260 177.584 0.032 0.000 1.077 184 A CA 1.392 53.445 52.037 0.027 0.000 0.781 184 A CB 0.323 19.308 19.000 -0.026 0.000 1.020 184 A HN 1.524 nan 8.150 nan 0.000 0.494 185 T N -1.571 113.010 114.554 0.045 0.000 3.037 185 T HA 0.245 4.584 4.350 -0.017 0.000 0.252 185 T C 0.520 175.173 174.700 -0.079 0.000 1.073 185 T CA 0.762 62.898 62.100 0.060 0.000 1.091 185 T CB -0.065 68.937 68.868 0.223 0.000 0.935 185 T HN 0.966 nan 8.240 nan 0.000 0.488 186 Q N 0.205 119.903 119.800 -0.169 0.000 2.737 186 Q HA 0.462 4.792 4.340 -0.017 0.000 0.307 186 Q C -2.151 173.683 176.000 -0.276 0.000 0.905 186 Q CA -1.075 54.483 55.803 -0.408 0.000 0.753 186 Q CB 0.936 29.168 28.738 -0.843 0.000 1.463 186 Q HN 0.166 nan 8.270 nan 0.000 0.455 187 I N 1.323 121.708 120.570 -0.308 0.000 2.406 187 I HA 0.433 4.593 4.170 -0.017 0.000 0.290 187 I C -0.417 175.630 176.117 -0.118 0.000 0.999 187 I CA -0.579 60.621 61.300 -0.167 0.000 1.124 187 I CB 1.479 39.399 38.000 -0.132 0.000 1.289 187 I HN 0.701 nan 8.210 nan 0.000 0.441 188 K N 8.032 128.394 120.400 -0.062 0.000 2.235 188 K HA 0.702 5.012 4.320 -0.017 0.000 0.266 188 K C -0.908 175.721 176.600 0.049 0.000 0.980 188 K CA -0.391 55.895 56.287 -0.003 0.000 0.849 188 K CB 1.125 33.623 32.500 -0.003 0.000 1.098 188 K HN 0.647 nan 8.250 nan 0.000 0.445 189 I N 0.398 121.026 120.570 0.097 0.000 2.740 189 I HA 0.523 4.683 4.170 -0.017 0.000 0.303 189 I C -0.785 175.470 176.117 0.229 0.000 1.044 189 I CA -1.086 60.315 61.300 0.168 0.000 1.064 189 I CB 1.969 40.056 38.000 0.146 0.000 1.249 189 I HN 0.341 nan 8.210 nan 0.000 0.433 190 M N 4.652 124.404 119.600 0.252 0.000 2.077 190 M HA 0.375 4.845 4.480 -0.017 0.000 0.348 190 M C 0.520 176.962 176.300 0.236 0.000 1.252 190 M CA -0.260 55.172 55.300 0.220 0.000 1.096 190 M CB 0.598 33.258 32.600 0.099 0.000 1.568 190 M HN 0.933 nan 8.290 nan 0.000 0.456 191 A N 2.249 125.223 122.820 0.257 0.000 2.303 191 A HA 0.312 4.622 4.320 -0.017 0.000 0.217 191 A C 0.897 178.571 177.584 0.150 0.000 1.205 191 A CA 0.197 52.356 52.037 0.204 0.000 0.875 191 A CB 0.411 19.509 19.000 0.164 0.000 0.910 191 A HN 0.683 nan 8.150 nan 0.000 0.501 192 S N -1.695 114.122 115.700 0.196 0.000 2.618 192 S HA 0.583 5.043 4.470 -0.017 0.000 0.277 192 S C 0.373 175.085 174.600 0.186 0.000 1.138 192 S CA 0.039 58.336 58.200 0.161 0.000 0.844 192 S CB 0.983 64.256 63.200 0.122 0.000 1.127 192 S HN 0.844 nan 8.310 nan 0.000 0.474 193 G N 0.517 109.400 108.800 0.139 0.000 2.690 193 G HA2 0.476 4.425 3.960 -0.017 0.000 0.239 193 G HA3 0.476 4.425 3.960 -0.017 0.000 0.239 193 G C 0.487 175.505 174.900 0.197 0.000 1.233 193 G CA 0.246 45.424 45.100 0.131 0.000 0.847 193 G HN 1.081 nan 8.290 nan 0.000 0.588 194 G N -1.859 107.007 108.800 0.110 0.000 3.195 194 G HA2 0.462 4.412 3.960 -0.017 0.000 0.217 194 G HA3 0.462 4.412 3.960 -0.017 0.000 0.217 194 G C 0.148 175.112 174.900 0.107 0.000 1.166 194 G CA 0.488 45.602 45.100 0.024 0.000 0.812 194 G HN 0.750 nan 8.290 nan 0.000 0.617 195 V N -0.019 120.031 119.914 0.227 0.000 3.058 195 V HA 0.320 4.429 4.120 -0.017 0.000 0.233 195 V C 2.390 178.636 176.094 0.253 0.000 1.255 195 V CA 1.287 63.699 62.300 0.187 0.000 1.267 195 V CB 0.577 32.500 31.823 0.167 0.000 1.049 195 V HN 0.775 nan 8.190 nan 0.000 0.486 196 A N 0.916 123.979 122.820 0.404 0.000 2.302 196 A HA 0.382 4.692 4.320 -0.017 0.000 0.219 196 A C 0.904 178.645 177.584 0.261 0.000 1.243 196 A CA 0.603 52.790 52.037 0.250 0.000 0.856 196 A CB -0.393 18.716 19.000 0.182 0.000 0.893 196 A HN 0.568 nan 8.150 nan 0.000 0.491 197 S N -1.121 114.724 115.700 0.242 0.000 2.536 197 S HA 0.594 5.054 4.470 -0.017 0.000 0.298 197 S C -2.000 172.681 174.600 0.135 0.000 1.083 197 S CA -1.321 56.980 58.200 0.169 0.000 0.995 197 S CB 2.080 65.233 63.200 -0.079 0.000 1.058 197 S HN 0.057 nan 8.310 nan 0.000 0.488 198 P HA -0.078 nan 4.420 nan 0.000 0.216 198 P C 1.381 178.710 177.300 0.048 0.000 1.153 198 P CA 1.770 64.919 63.100 0.081 0.000 0.844 198 P CB -0.374 31.375 31.700 0.082 0.000 0.787 199 T N -3.478 111.092 114.554 0.026 0.000 3.037 199 T HA 0.019 4.358 4.350 -0.017 0.000 0.252 199 T C 0.591 175.300 174.700 0.015 0.000 1.073 199 T CA -0.180 61.927 62.100 0.013 0.000 1.091 199 T CB -0.651 68.215 68.868 -0.004 0.000 0.935 199 T HN 0.136 nan 8.240 nan 0.000 0.488 200 D N 3.425 123.841 120.400 0.027 0.000 2.317 200 D HA 0.293 4.923 4.640 -0.017 0.000 0.234 200 D C -2.813 173.512 176.300 0.041 0.000 1.112 200 D CA -2.125 51.895 54.000 0.032 0.000 0.840 200 D CB 1.583 42.407 40.800 0.041 0.000 1.078 200 D HN 0.179 nan 8.370 nan 0.000 0.486 201 P HA 0.022 nan 4.420 nan 0.000 0.271 201 P C 1.241 178.549 177.300 0.014 0.000 1.216 201 P CA -0.519 62.586 63.100 0.009 0.000 0.776 201 P CB 1.566 33.266 31.700 -0.001 0.000 0.881 202 I N 1.541 122.102 120.570 -0.015 0.000 2.493 202 I HA -0.203 3.957 4.170 -0.017 0.000 0.254 202 I C 1.664 177.789 176.117 0.014 0.000 1.160 202 I CA 1.512 62.800 61.300 -0.019 0.000 1.445 202 I CB -0.310 37.578 38.000 -0.186 0.000 1.086 202 I HN 0.291 nan 8.210 nan 0.000 0.433 203 A N 1.891 124.707 122.820 -0.006 0.000 2.015 203 A HA -0.155 4.155 4.320 -0.017 0.000 0.219 203 A C 1.066 178.665 177.584 0.024 0.000 1.163 203 A CA 1.072 53.111 52.037 0.004 0.000 0.646 203 A CB -1.055 17.938 19.000 -0.011 0.000 0.806 203 A HN 0.821 nan 8.150 nan 0.000 0.448 204 N N 0.010 118.727 118.700 0.028 0.000 2.515 204 N HA 0.337 5.067 4.740 -0.017 0.000 0.279 204 N C -0.230 175.306 175.510 0.043 0.000 1.164 204 N CA 0.111 53.179 53.050 0.030 0.000 0.982 204 N CB 0.685 39.183 38.487 0.017 0.000 1.170 204 N HN 0.146 nan 8.380 nan 0.000 0.474 205 T N -1.358 113.218 114.554 0.037 0.000 2.909 205 T HA 0.220 4.560 4.350 -0.017 0.000 0.289 205 T C -0.240 174.480 174.700 0.033 0.000 1.005 205 T CA -0.658 61.470 62.100 0.046 0.000 1.084 205 T CB 1.378 70.273 68.868 0.045 0.000 0.975 205 T HN 0.589 nan 8.240 nan 0.000 0.509 206 Q N 0.765 120.589 119.800 0.040 0.000 2.387 206 Q HA 0.524 4.854 4.340 -0.017 0.000 0.273 206 Q C -1.380 174.654 176.000 0.058 0.000 1.089 206 Q CA -0.997 54.791 55.803 -0.025 0.000 0.824 206 Q CB 2.028 30.709 28.738 -0.094 0.000 1.367 206 Q HN 0.840 nan 8.270 nan 0.000 0.443 207 Y N -0.689 119.629 120.300 0.030 0.000 2.526 207 Y HA -0.302 4.238 4.550 -0.017 0.000 0.022 207 Y C 0.134 176.046 175.900 0.021 0.000 1.721 207 Y CA 0.167 58.282 58.100 0.024 0.000 1.405 207 Y CB -0.384 38.091 38.460 0.025 0.000 2.052 207 Y HN 0.749 nan 8.280 nan 0.000 0.257 208 S N 1.644 117.480 115.700 0.227 0.000 2.617 208 S HA 0.232 4.692 4.470 -0.017 0.000 0.269 208 S C 0.759 175.412 174.600 0.088 0.000 1.292 208 S CA -0.195 58.076 58.200 0.118 0.000 1.010 208 S CB 1.683 64.936 63.200 0.087 0.000 0.944 208 S HN 0.682 nan 8.310 nan 0.000 0.536 209 E N 0.995 121.229 120.200 0.057 0.000 2.118 209 E HA -0.196 4.144 4.350 -0.017 0.000 0.195 209 E C 1.104 177.714 176.600 0.016 0.000 0.992 209 E CA 1.539 57.960 56.400 0.034 0.000 0.804 209 E CB -0.234 29.482 29.700 0.027 0.000 0.741 209 E HN 0.682 nan 8.360 nan 0.000 0.458 210 D N 0.956 121.367 120.400 0.018 0.000 2.104 210 D HA -0.174 4.456 4.640 -0.017 0.000 0.194 210 D C 1.809 178.099 176.300 -0.017 0.000 0.994 210 D CA 1.112 55.115 54.000 0.005 0.000 0.830 210 D CB -0.243 40.565 40.800 0.012 0.000 0.959 210 D HN 0.249 nan 8.370 nan 0.000 0.452 211 E N 0.079 120.269 120.200 -0.017 0.000 2.058 211 E HA -0.146 4.194 4.350 -0.017 0.000 0.194 211 E C 2.369 178.869 176.600 -0.167 0.000 0.997 211 E CA 0.715 57.058 56.400 -0.094 0.000 0.801 211 E CB -0.079 29.575 29.700 -0.078 0.000 0.746 211 E HN 0.311 nan 8.360 nan 0.000 0.450 212 I N 0.408 120.911 120.570 -0.113 0.000 2.226 212 I HA -0.273 3.887 4.170 -0.017 0.000 0.245 212 I C 2.541 178.618 176.117 -0.067 0.000 1.100 212 I CA 1.017 62.257 61.300 -0.101 0.000 1.374 212 I CB -0.303 37.684 38.000 -0.022 0.000 1.057 212 I HN 0.032 nan 8.210 nan 0.000 0.413 213 R N 0.898 121.374 120.500 -0.039 0.000 2.080 213 R HA -0.195 4.135 4.340 -0.017 0.000 0.236 213 R C 2.517 178.796 176.300 -0.035 0.000 1.137 213 R CA 1.785 57.870 56.100 -0.025 0.000 0.943 213 R CB -0.564 29.729 30.300 -0.012 0.000 0.846 213 R HN 0.403 nan 8.270 nan 0.000 0.431 214 A N 0.991 123.783 122.820 -0.047 0.000 1.908 214 A HA -0.179 4.131 4.320 -0.017 0.000 0.218 214 A C 2.145 179.693 177.584 -0.061 0.000 1.181 214 A CA 1.416 53.424 52.037 -0.048 0.000 0.627 214 A CB -0.530 18.438 19.000 -0.053 0.000 0.818 214 A HN 0.243 nan 8.150 nan 0.000 0.445 215 I N -0.829 119.686 120.570 -0.091 0.000 2.252 215 I HA -0.187 3.973 4.170 -0.017 0.000 0.245 215 I C 2.335 178.414 176.117 -0.062 0.000 1.102 215 I CA 0.972 62.212 61.300 -0.099 0.000 1.385 215 I CB -0.227 37.680 38.000 -0.155 0.000 1.064 215 I HN 0.159 nan 8.210 nan 0.000 0.414 216 V N 0.739 120.626 119.914 -0.045 0.000 2.358 216 V HA -0.275 3.835 4.120 -0.017 0.000 0.246 216 V C 2.045 178.134 176.094 -0.008 0.000 1.047 216 V CA 1.895 64.185 62.300 -0.017 0.000 1.035 216 V CB -0.646 31.176 31.823 -0.003 0.000 0.658 216 V HN 0.384 nan 8.190 nan 0.000 0.452 217 D N -0.115 120.278 120.400 -0.013 0.000 2.133 217 D HA -0.179 4.451 4.640 -0.017 0.000 0.192 217 D C 2.254 178.546 176.300 -0.012 0.000 1.001 217 D CA 1.307 55.302 54.000 -0.008 0.000 0.844 217 D CB -0.168 40.626 40.800 -0.011 0.000 0.944 217 D HN 0.398 nan 8.370 nan 0.000 0.447 218 E N 0.283 120.468 120.200 -0.025 0.000 2.107 218 E HA -0.011 4.329 4.350 -0.017 0.000 0.191 218 E C 2.118 178.701 176.600 -0.028 0.000 0.982 218 E CA 0.724 57.108 56.400 -0.027 0.000 0.809 218 E CB -0.328 29.350 29.700 -0.036 0.000 0.756 218 E HN 0.223 nan 8.360 nan 0.000 0.459 219 A N 1.607 124.406 122.820 -0.035 0.000 1.883 219 A HA -0.231 4.079 4.320 -0.017 0.000 0.217 219 A C 2.079 179.655 177.584 -0.013 0.000 1.186 219 A CA 1.696 53.709 52.037 -0.041 0.000 0.624 219 A CB -0.497 18.469 19.000 -0.057 0.000 0.822 219 A HN 0.216 nan 8.150 nan 0.000 0.444 220 E N -0.399 119.804 120.200 0.005 0.000 2.051 220 E HA -0.114 4.226 4.350 -0.017 0.000 0.192 220 E C 2.303 178.911 176.600 0.013 0.000 0.991 220 E CA 0.876 57.289 56.400 0.022 0.000 0.799 220 E CB -0.329 29.388 29.700 0.028 0.000 0.748 220 E HN 0.607 nan 8.360 nan 0.000 0.449 221 A N 1.199 124.021 122.820 0.004 0.000 2.032 221 A HA -0.149 4.161 4.320 -0.017 0.000 0.221 221 A C 2.078 179.662 177.584 0.000 0.000 1.165 221 A CA 1.717 53.755 52.037 0.001 0.000 0.645 221 A CB -0.341 18.656 19.000 -0.005 0.000 0.807 221 A HN 0.256 nan 8.150 nan 0.000 0.453 222 A N -0.976 121.842 122.820 -0.003 0.000 2.545 222 A HA 0.388 4.698 4.320 -0.017 0.000 0.277 222 A C 0.433 178.021 177.584 0.007 0.000 1.301 222 A CA 0.027 52.062 52.037 -0.004 0.000 0.935 222 A CB -0.323 18.667 19.000 -0.016 0.000 1.093 222 A HN 0.443 nan 8.150 nan 0.000 0.519 223 N N 0.178 118.889 118.700 0.018 0.000 2.725 223 N HA -0.135 4.595 4.740 -0.017 0.000 0.251 223 N C -0.020 175.519 175.510 0.048 0.000 1.031 223 N CA 1.693 54.764 53.050 0.035 0.000 0.720 223 N CB -1.508 36.999 38.487 0.034 0.000 0.930 223 N HN 0.611 nan 8.380 nan 0.000 0.543 224 T N -1.462 113.116 114.554 0.040 0.000 2.681 224 T HA 0.672 5.012 4.350 -0.017 0.000 0.296 224 T C -1.256 173.484 174.700 0.066 0.000 1.157 224 T CA -0.674 61.455 62.100 0.047 0.000 1.025 224 T CB 1.180 70.005 68.868 -0.072 0.000 1.441 224 T HN 0.203 nan 8.240 nan 0.000 0.504 225 Y N -1.121 119.164 120.300 -0.025 0.000 2.686 225 Y HA 0.886 5.426 4.550 -0.017 0.000 0.330 225 Y C -1.082 174.803 175.900 -0.025 0.000 1.082 225 Y CA -1.259 56.826 58.100 -0.024 0.000 1.158 225 Y CB 0.544 38.983 38.460 -0.035 0.000 1.333 225 Y HN 0.314 nan 8.280 nan 0.000 0.519 226 V N 3.602 123.576 119.914 0.100 0.000 2.459 226 V HA 0.344 4.454 4.120 -0.017 0.000 0.295 226 V C 0.015 176.212 176.094 0.171 0.000 1.029 226 V CA -0.949 61.360 62.300 0.017 0.000 0.874 226 V CB 1.318 33.155 31.823 0.023 0.000 0.985 226 V HN 0.823 nan 8.190 nan 0.000 0.438 227 M N 3.651 123.302 119.600 0.085 0.000 2.264 227 M HA 0.902 5.372 4.480 -0.017 0.000 0.352 227 M C -0.403 175.956 176.300 0.098 0.000 1.173 227 M CA -0.273 55.106 55.300 0.131 0.000 1.075 227 M CB 1.514 34.181 32.600 0.112 0.000 1.621 227 M HN 0.567 nan 8.290 nan 0.000 0.457 228 A N 1.860 124.745 122.820 0.109 0.000 2.355 228 A HA 0.507 4.817 4.320 -0.017 0.000 0.317 228 A C -1.362 176.312 177.584 0.151 0.000 1.094 228 A CA -0.683 51.432 52.037 0.130 0.000 0.764 228 A CB 0.720 19.782 19.000 0.104 0.000 1.230 228 A HN 0.998 nan 8.150 nan 0.000 0.448 229 H N 1.607 120.743 119.070 0.110 0.000 2.800 229 H HA 0.619 5.165 4.556 -0.017 0.000 0.291 229 H C -0.164 175.167 175.328 0.004 0.000 1.076 229 H CA 0.721 56.837 56.048 0.113 0.000 1.452 229 H CB 0.576 30.460 29.762 0.203 0.000 1.461 229 H HN 0.912 nan 8.280 nan 0.000 0.488 230 A N 4.779 127.333 122.820 -0.443 0.000 2.566 230 A HA 0.337 4.647 4.320 -0.017 0.000 0.297 230 A C -1.415 175.888 177.584 -0.468 0.000 1.059 230 A CA -0.726 51.098 52.037 -0.354 0.000 0.691 230 A CB 0.513 19.464 19.000 -0.082 0.000 1.282 230 A HN 0.706 nan 8.150 nan 0.000 0.401 231 Y N 0.943 121.159 120.300 -0.141 0.000 2.331 231 Y HA 0.169 4.710 4.550 -0.015 0.000 0.282 231 Y C 2.195 178.066 175.900 -0.049 0.000 1.140 231 Y CA 1.503 59.540 58.100 -0.104 0.000 1.198 231 Y CB -0.347 38.033 38.460 -0.133 0.000 1.159 231 Y HN 0.759 nan 8.280 nan 0.000 0.512 232 T N -1.126 113.509 114.554 0.134 0.000 2.860 232 T HA 0.255 4.595 4.350 -0.017 0.000 0.299 232 T C 1.629 176.356 174.700 0.045 0.000 1.045 232 T CA -0.028 62.111 62.100 0.065 0.000 1.071 232 T CB 1.291 70.185 68.868 0.043 0.000 0.985 232 T HN 0.430 nan 8.240 nan 0.000 0.537 233 G N 0.712 109.527 108.800 0.026 0.000 2.442 233 G HA2 -0.244 3.706 3.960 -0.017 0.000 0.219 233 G HA3 -0.244 3.706 3.960 -0.017 0.000 0.219 233 G C 1.559 176.474 174.900 0.026 0.000 1.141 233 G CA 0.877 45.991 45.100 0.023 0.000 0.763 233 G HN 0.894 nan 8.290 nan 0.000 0.554 234 R N 0.579 121.092 120.500 0.023 0.000 2.073 234 R HA 0.036 4.366 4.340 -0.017 0.000 0.234 234 R C 2.811 179.128 176.300 0.028 0.000 1.134 234 R CA 1.628 57.742 56.100 0.023 0.000 0.952 234 R CB -0.449 29.863 30.300 0.020 0.000 0.850 234 R HN 0.264 nan 8.270 nan 0.000 0.433 235 A N 1.030 123.871 122.820 0.035 0.000 1.898 235 A HA -0.097 4.213 4.320 -0.017 0.000 0.216 235 A C 2.196 179.800 177.584 0.034 0.000 1.181 235 A CA 1.333 53.394 52.037 0.040 0.000 0.620 235 A CB -0.454 18.575 19.000 0.048 0.000 0.819 235 A HN 0.390 nan 8.150 nan 0.000 0.442 236 I N -0.369 120.221 120.570 0.032 0.000 2.315 236 I HA -0.261 3.899 4.170 -0.017 0.000 0.248 236 I C 2.969 179.099 176.117 0.022 0.000 1.117 236 I CA 0.925 62.245 61.300 0.033 0.000 1.404 236 I CB -0.321 37.712 38.000 0.055 0.000 1.071 236 I HN 0.377 nan 8.210 nan 0.000 0.419 237 A N 1.909 124.741 122.820 0.021 0.000 1.877 237 A HA -0.231 4.079 4.320 -0.017 0.000 0.216 237 A C 2.385 179.960 177.584 -0.015 0.000 1.186 237 A CA 1.986 54.026 52.037 0.007 0.000 0.620 237 A CB -0.652 18.358 19.000 0.017 0.000 0.822 237 A HN 0.514 nan 8.150 nan 0.000 0.443 238 R N -0.631 119.871 120.500 0.002 0.000 2.148 238 R HA 0.196 4.526 4.340 -0.017 0.000 0.223 238 R C 2.169 178.466 176.300 -0.006 0.000 1.088 238 R CA 1.186 57.287 56.100 0.001 0.000 0.985 238 R CB -0.640 29.671 30.300 0.019 0.000 0.880 238 R HN 0.311 nan 8.270 nan 0.000 0.451 239 A N 1.833 124.656 122.820 0.005 0.000 1.851 239 A HA -0.117 4.193 4.320 -0.017 0.000 0.216 239 A C 2.421 179.982 177.584 -0.038 0.000 1.195 239 A CA 1.910 53.951 52.037 0.006 0.000 0.622 239 A CB -0.783 18.232 19.000 0.026 0.000 0.831 239 A HN 0.160 nan 8.150 nan 0.000 0.444 240 V N -0.061 119.810 119.914 -0.072 0.000 2.407 240 V HA -0.226 3.884 4.120 -0.017 0.000 0.248 240 V C 2.634 178.530 176.094 -0.329 0.000 1.055 240 V CA 2.171 64.371 62.300 -0.167 0.000 1.049 240 V CB -0.839 30.887 31.823 -0.161 0.000 0.662 240 V HN 0.611 nan 8.190 nan 0.000 0.455 241 R N -0.712 119.635 120.500 -0.254 0.000 2.120 241 R HA -0.171 4.159 4.340 -0.017 0.000 0.234 241 R C 2.134 178.373 176.300 -0.102 0.000 1.123 241 R CA 1.912 57.887 56.100 -0.209 0.000 0.975 241 R CB -0.398 29.856 30.300 -0.077 0.000 0.866 241 R HN 0.535 nan 8.270 nan 0.000 0.446 242 C N -1.024 118.236 119.300 -0.067 0.000 2.481 242 C HA 0.228 4.678 4.460 -0.017 0.000 0.275 242 C C 1.442 176.420 174.990 -0.020 0.000 1.419 242 C CA 0.728 59.729 59.018 -0.027 0.000 1.773 242 C CB -0.106 27.627 27.740 -0.012 0.000 1.862 242 C HN 0.818 nan 8.230 nan 0.000 0.530 243 G N 0.226 109.003 108.800 -0.039 0.000 2.147 243 G HA2 -0.096 3.854 3.960 -0.017 0.000 0.128 243 G HA3 -0.096 3.854 3.960 -0.017 0.000 0.128 243 G C 0.082 174.997 174.900 0.024 0.000 1.026 243 G CA 0.157 45.254 45.100 -0.005 0.000 0.693 243 G HN 0.879 nan 8.290 nan 0.000 0.499 244 V N -0.651 119.273 119.914 0.018 0.000 2.811 244 V HA 0.714 4.824 4.120 -0.017 0.000 0.302 244 V C 1.336 177.479 176.094 0.082 0.000 1.063 244 V CA 0.804 63.139 62.300 0.059 0.000 1.088 244 V CB 1.554 33.411 31.823 0.057 0.000 0.982 244 V HN 0.436 nan 8.190 nan 0.000 0.485 245 R N 2.650 123.230 120.500 0.133 0.000 2.195 245 R HA 0.198 4.528 4.340 -0.017 0.000 0.197 245 R C 0.761 177.142 176.300 0.134 0.000 0.990 245 R CA 0.877 57.053 56.100 0.126 0.000 1.048 245 R CB 0.222 30.564 30.300 0.070 0.000 0.997 245 R HN 0.967 nan 8.270 nan 0.000 0.502 246 T N -0.983 113.639 114.554 0.112 0.000 2.841 246 T HA 0.490 4.830 4.350 -0.017 0.000 0.283 246 T C -0.391 174.353 174.700 0.073 0.000 1.000 246 T CA -0.898 61.252 62.100 0.083 0.000 0.977 246 T CB 1.689 70.551 68.868 -0.011 0.000 0.979 246 T HN -0.096 nan 8.240 nan 0.000 0.446 247 I N 3.190 123.781 120.570 0.036 0.000 2.354 247 I HA 0.396 4.556 4.170 -0.017 0.000 0.292 247 I C 0.107 176.196 176.117 -0.047 0.000 0.989 247 I CA -0.736 60.565 61.300 0.002 0.000 1.188 247 I CB 1.706 39.703 38.000 -0.006 0.000 1.342 247 I HN 0.752 nan 8.210 nan 0.000 0.457 248 E N 6.583 126.747 120.200 -0.060 0.000 2.231 248 E HA 0.335 4.675 4.350 -0.017 0.000 0.277 248 E C 0.430 176.828 176.600 -0.336 0.000 0.999 248 E CA -0.351 55.927 56.400 -0.203 0.000 0.827 248 E CB 1.200 30.846 29.700 -0.090 0.000 1.101 248 E HN 0.537 nan 8.360 nan 0.000 0.393 249 H N 2.026 120.992 119.070 -0.174 0.000 2.951 249 H HA -0.296 4.250 4.556 -0.017 0.000 0.089 249 H C 1.121 176.408 175.328 -0.068 0.000 0.614 249 H CA 1.544 57.496 56.048 -0.159 0.000 1.649 249 H CB -1.401 28.113 29.762 -0.413 0.000 1.877 249 H HN 0.847 nan 8.280 nan 0.000 0.918 250 G N 1.475 110.279 108.800 0.006 0.000 2.143 250 G HA2 -0.359 3.591 3.960 -0.017 0.000 0.248 250 G HA3 -0.359 3.591 3.960 -0.017 0.000 0.248 250 G C 0.713 175.747 174.900 0.222 0.000 0.991 250 G CA 1.148 46.331 45.100 0.137 0.000 0.689 250 G HN 0.601 nan 8.290 nan 0.000 0.522 251 N N -0.146 118.689 118.700 0.225 0.000 2.348 251 N HA -0.003 4.727 4.740 -0.017 0.000 0.185 251 N C 1.514 177.052 175.510 0.046 0.000 1.019 251 N CA 1.299 54.430 53.050 0.136 0.000 0.880 251 N CB -0.112 38.413 38.487 0.062 0.000 0.965 251 N HN 0.587 nan 8.380 nan 0.000 0.437 252 L N 0.657 121.923 121.223 0.073 0.000 3.141 252 L HA 0.322 4.652 4.340 -0.017 0.000 0.263 252 L C -0.451 176.413 176.870 -0.011 0.000 1.312 252 L CA -0.559 54.283 54.840 0.004 0.000 1.012 252 L CB 0.060 42.120 42.059 0.003 0.000 1.408 252 L HN -0.117 nan 8.230 nan 0.000 0.559 253 V N -1.924 117.962 119.914 -0.047 0.000 2.740 253 V HA 0.120 4.230 4.120 -0.017 0.000 0.303 253 V C 0.176 176.208 176.094 -0.103 0.000 1.054 253 V CA -0.763 61.486 62.300 -0.085 0.000 1.106 253 V CB 0.220 31.908 31.823 -0.225 0.000 0.957 253 V HN 0.442 nan 8.190 nan 0.000 0.486 254 D N 2.560 122.920 120.400 -0.065 0.000 2.388 254 D HA 0.261 4.891 4.640 -0.017 0.000 0.254 254 D C 1.012 177.271 176.300 -0.069 0.000 1.111 254 D CA -0.447 53.514 54.000 -0.065 0.000 0.993 254 D CB 0.695 41.474 40.800 -0.035 0.000 1.118 254 D HN 0.653 nan 8.370 nan 0.000 0.502 255 E N 0.323 120.486 120.200 -0.062 0.000 2.274 255 E HA -0.191 4.149 4.350 -0.017 0.000 0.194 255 E C 1.721 178.314 176.600 -0.011 0.000 0.996 255 E CA 0.883 57.254 56.400 -0.048 0.000 0.840 255 E CB -0.494 29.178 29.700 -0.047 0.000 0.772 255 E HN 0.501 nan 8.360 nan 0.000 0.491 256 A N 2.072 124.889 122.820 -0.004 0.000 1.908 256 A HA -0.031 4.279 4.320 -0.017 0.000 0.218 256 A C 2.527 180.131 177.584 0.033 0.000 1.181 256 A CA 2.317 54.363 52.037 0.015 0.000 0.627 256 A CB -0.722 18.285 19.000 0.011 0.000 0.818 256 A HN 0.417 nan 8.150 nan 0.000 0.445 257 A N -0.277 122.560 122.820 0.028 0.000 1.873 257 A HA 0.230 4.540 4.320 -0.017 0.000 0.215 257 A C 2.533 180.167 177.584 0.084 0.000 1.186 257 A CA 1.962 54.029 52.037 0.050 0.000 0.616 257 A CB -1.100 17.925 19.000 0.042 0.000 0.823 257 A HN 1.081 nan 8.150 nan 0.000 0.442 258 A N -0.251 122.612 122.820 0.072 0.000 1.908 258 A HA -0.207 4.103 4.320 -0.017 0.000 0.218 258 A C 2.137 179.805 177.584 0.139 0.000 1.181 258 A CA 2.069 54.183 52.037 0.128 0.000 0.627 258 A CB -0.507 18.521 19.000 0.048 0.000 0.818 258 A HN 0.537 nan 8.150 nan 0.000 0.445 259 K N -0.909 119.550 120.400 0.099 0.000 2.020 259 K HA -0.190 4.120 4.320 -0.017 0.000 0.212 259 K C 1.957 178.648 176.600 0.151 0.000 1.050 259 K CA 1.760 58.119 56.287 0.120 0.000 0.929 259 K CB -0.359 32.187 32.500 0.075 0.000 0.714 259 K HN 0.363 nan 8.250 nan 0.000 0.443 260 L N 1.243 122.546 121.223 0.132 0.000 2.012 260 L HA -0.196 4.134 4.340 -0.017 0.000 0.210 260 L C 2.333 179.337 176.870 0.223 0.000 1.073 260 L CA 1.642 56.588 54.840 0.177 0.000 0.748 260 L CB -0.303 41.842 42.059 0.142 0.000 0.891 260 L HN 0.305 nan 8.230 nan 0.000 0.431 261 M N -1.579 118.117 119.600 0.159 0.000 2.073 261 M HA -0.309 4.161 4.480 -0.017 0.000 0.258 261 M C 2.389 178.757 176.300 0.113 0.000 1.070 261 M CA 2.232 57.611 55.300 0.132 0.000 1.103 261 M CB -0.555 32.126 32.600 0.136 0.000 1.321 261 M HN 0.512 nan 8.290 nan 0.000 0.405 262 H N 0.014 119.111 119.070 0.045 0.000 2.289 262 H HA -0.197 4.349 4.556 -0.016 0.000 0.296 262 H C 1.779 177.100 175.328 -0.012 0.000 1.091 262 H CA 2.486 58.532 56.048 -0.003 0.000 1.274 262 H CB -0.252 29.511 29.762 0.002 0.000 1.364 262 H HN 0.415 nan 8.280 nan 0.000 0.490 263 E N -1.105 118.997 120.200 -0.163 0.000 2.097 263 E HA -0.238 4.102 4.350 -0.017 0.000 0.196 263 E C 1.605 178.054 176.600 -0.252 0.000 1.000 263 E CA 1.627 57.885 56.400 -0.238 0.000 0.804 263 E CB -0.078 29.560 29.700 -0.104 0.000 0.740 263 E HN 0.697 nan 8.360 nan 0.000 0.454 264 H N -1.864 117.139 119.070 -0.112 0.000 2.548 264 H HA 0.185 4.731 4.556 -0.017 0.000 0.265 264 H C 0.896 176.167 175.328 -0.096 0.000 0.969 264 H CA 0.664 56.666 56.048 -0.077 0.000 1.155 264 H CB 0.916 30.661 29.762 -0.029 0.000 1.394 264 H HN 0.293 nan 8.280 nan 0.000 0.570 265 G N 0.170 108.929 108.800 -0.069 0.000 2.182 265 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.248 265 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.248 265 G C 0.104 174.929 174.900 -0.125 0.000 1.042 265 G CA 0.172 45.184 45.100 -0.146 0.000 0.775 265 G HN 0.647 nan 8.290 nan 0.000 0.501 266 A N -0.327 122.459 122.820 -0.056 0.000 2.290 266 A HA 0.841 5.151 4.320 -0.017 0.000 0.310 266 A C 0.308 177.859 177.584 -0.055 0.000 1.202 266 A CA -0.584 51.472 52.037 0.031 0.000 0.837 266 A CB 0.616 19.656 19.000 0.067 0.000 1.139 266 A HN 0.528 nan 8.150 nan 0.000 0.509 267 F N 1.224 121.128 119.950 -0.076 0.000 2.390 267 F HA 0.509 5.026 4.527 -0.017 0.000 0.307 267 F C 0.548 176.258 175.800 -0.150 0.000 1.227 267 F CA -0.371 57.566 58.000 -0.106 0.000 1.179 267 F CB 0.803 39.731 39.000 -0.120 0.000 1.280 267 F HN 0.293 nan 8.300 nan 0.000 0.548 268 V N 0.477 120.381 119.914 -0.017 0.000 2.876 268 V HA 0.476 4.586 4.120 -0.017 0.000 0.312 268 V C -0.917 175.102 176.094 -0.124 0.000 1.085 268 V CA -0.901 61.286 62.300 -0.189 0.000 0.945 268 V CB 2.005 33.452 31.823 -0.627 0.000 1.017 268 V HN 0.440 nan 8.190 nan 0.000 0.428 269 V N 4.155 123.997 119.914 -0.120 0.000 2.340 269 V HA 0.355 4.464 4.120 -0.017 0.000 0.277 269 V C -2.516 173.488 176.094 -0.150 0.000 1.017 269 V CA -1.699 60.539 62.300 -0.102 0.000 0.820 269 V CB 1.381 33.174 31.823 -0.049 0.000 1.028 269 V HN 0.724 nan 8.190 nan 0.000 0.436 270 P HA 0.212 nan 4.420 nan 0.000 0.269 270 P C 0.350 177.595 177.300 -0.093 0.000 1.215 270 P CA 0.193 63.269 63.100 -0.040 0.000 0.780 270 P CB 0.446 32.157 31.700 0.019 0.000 0.898 271 T N -1.975 112.595 114.554 0.028 0.000 3.741 271 T HA 0.289 4.629 4.350 -0.017 0.000 0.242 271 T C 0.892 175.638 174.700 0.076 0.000 1.042 271 T CA -0.403 61.667 62.100 -0.050 0.000 1.278 271 T CB -1.128 67.658 68.868 -0.137 0.000 0.994 271 T HN 0.075 nan 8.240 nan 0.000 0.594 272 L N 0.175 121.460 121.223 0.104 0.000 2.201 272 L HA -0.000 4.329 4.340 -0.017 0.000 0.212 272 L C 2.705 179.652 176.870 0.129 0.000 1.105 272 L CA 0.715 55.690 54.840 0.224 0.000 0.775 272 L CB -0.516 41.611 42.059 0.113 0.000 0.913 272 L HN 0.427 nan 8.230 nan 0.000 0.440 273 V N -0.665 119.240 119.914 -0.015 0.000 2.490 273 V HA -0.295 3.815 4.120 -0.017 0.000 0.250 273 V C 2.502 178.557 176.094 -0.066 0.000 1.061 273 V CA 2.515 64.798 62.300 -0.028 0.000 1.064 273 V CB -0.089 31.718 31.823 -0.026 0.000 0.670 273 V HN 0.510 nan 8.190 nan 0.000 0.461 274 T N -1.175 113.269 114.554 -0.183 0.000 2.962 274 T HA -0.129 4.211 4.350 -0.017 0.000 0.270 274 T C 1.453 175.962 174.700 -0.318 0.000 1.088 274 T CA 1.805 63.735 62.100 -0.283 0.000 1.127 274 T CB -0.283 68.349 68.868 -0.395 0.000 0.883 274 T HN 0.741 nan 8.240 nan 0.000 0.493 275 Y N 0.927 121.228 120.300 0.001 0.000 2.397 275 Y HA 0.162 4.703 4.550 -0.014 0.000 0.292 275 Y C 2.291 178.160 175.900 -0.051 0.000 1.115 275 Y CA 0.265 58.354 58.100 -0.018 0.000 1.208 275 Y CB -0.226 38.224 38.460 -0.016 0.000 1.046 275 Y HN 0.206 nan 8.280 nan 0.000 0.552 276 D N 0.164 120.600 120.400 0.060 0.000 2.144 276 D HA -0.108 4.522 4.640 -0.017 0.000 0.200 276 D C 2.230 178.447 176.300 -0.138 0.000 0.978 276 D CA 1.322 55.295 54.000 -0.045 0.000 0.833 276 D CB -0.421 40.341 40.800 -0.062 0.000 0.961 276 D HN 0.313 nan 8.370 nan 0.000 0.470 277 A N 0.528 123.270 122.820 -0.129 0.000 1.898 277 A HA -0.052 4.258 4.320 -0.017 0.000 0.216 277 A C 2.200 179.776 177.584 -0.014 0.000 1.181 277 A CA 0.760 52.732 52.037 -0.108 0.000 0.620 277 A CB -0.707 18.299 19.000 0.009 0.000 0.819 277 A HN 0.206 nan 8.150 nan 0.000 0.442 278 L N -0.763 120.459 121.223 -0.002 0.000 2.478 278 L HA -0.035 4.294 4.340 -0.017 0.000 0.223 278 L C 2.801 179.657 176.870 -0.023 0.000 1.140 278 L CA 0.464 55.316 54.840 0.021 0.000 0.842 278 L CB -0.328 41.752 42.059 0.035 0.000 0.953 278 L HN 0.447 nan 8.230 nan 0.000 0.452 279 A N 0.218 122.999 122.820 -0.064 0.000 1.854 279 A HA -0.157 4.153 4.320 -0.017 0.000 0.214 279 A C 2.293 179.764 177.584 -0.188 0.000 1.192 279 A CA 1.370 53.349 52.037 -0.098 0.000 0.611 279 A CB -0.168 18.780 19.000 -0.086 0.000 0.832 279 A HN 0.148 nan 8.150 nan 0.000 0.442 280 K N -0.442 119.751 120.400 -0.345 0.000 2.031 280 K HA -0.012 4.297 4.320 -0.017 0.000 0.205 280 K C 0.639 176.888 176.600 -0.585 0.000 1.049 280 K CA 1.398 57.330 56.287 -0.592 0.000 0.939 280 K CB -0.035 31.841 32.500 -1.039 0.000 0.717 280 K HN 0.668 nan 8.250 nan 0.000 0.438 281 H N -1.561 117.433 119.070 -0.128 0.000 2.528 281 H HA 0.322 4.869 4.556 -0.014 0.000 0.256 281 H C 0.979 176.229 175.328 -0.130 0.000 1.204 281 H CA 0.116 56.014 56.048 -0.248 0.000 0.955 281 H CB 0.439 29.958 29.762 -0.405 0.000 1.817 281 H HN 0.238 nan 8.280 nan 0.000 0.579 282 G N 1.058 109.849 108.800 -0.014 0.000 2.547 282 G HA2 -0.123 3.827 3.960 -0.017 0.000 0.214 282 G HA3 -0.123 3.827 3.960 -0.017 0.000 0.214 282 G C 1.683 176.606 174.900 0.038 0.000 1.254 282 G CA 0.852 45.972 45.100 0.033 0.000 0.817 282 G HN 0.427 nan 8.290 nan 0.000 0.551 283 A N 0.194 123.016 122.820 0.004 0.000 2.121 283 A HA 0.039 4.349 4.320 -0.017 0.000 0.218 283 A C 2.098 179.684 177.584 0.002 0.000 1.154 283 A CA 1.922 53.964 52.037 0.008 0.000 0.679 283 A CB -0.364 18.633 19.000 -0.005 0.000 0.795 283 A HN 0.545 nan 8.150 nan 0.000 0.458 284 E N -1.130 119.042 120.200 -0.047 0.000 2.106 284 E HA -0.140 4.200 4.350 -0.017 0.000 0.192 284 E C 0.449 177.020 176.600 -0.047 0.000 0.984 284 E CA 0.913 57.243 56.400 -0.116 0.000 0.806 284 E CB -0.113 29.427 29.700 -0.265 0.000 0.750 284 E HN 0.540 nan 8.360 nan 0.000 0.458 285 F N -0.280 119.708 119.950 0.062 0.000 2.645 285 F HA 0.321 4.838 4.527 -0.016 0.000 0.300 285 F C 1.327 177.139 175.800 0.019 0.000 1.115 285 F CA 0.539 58.564 58.000 0.042 0.000 1.355 285 F CB 0.793 39.825 39.000 0.054 0.000 1.026 285 F HN 0.197 nan 8.300 nan 0.000 0.536 286 G N 0.560 109.463 108.800 0.173 0.000 2.131 286 G HA2 -0.294 3.656 3.960 -0.017 0.000 0.223 286 G HA3 -0.294 3.656 3.960 -0.017 0.000 0.223 286 G C 0.393 175.328 174.900 0.059 0.000 0.990 286 G CA -0.046 45.111 45.100 0.095 0.000 0.671 286 G HN 0.302 nan 8.290 nan 0.000 0.521 287 M N 2.123 121.764 119.600 0.069 0.000 2.162 287 M HA 0.420 4.890 4.480 -0.017 0.000 0.356 287 M C -1.702 174.618 176.300 0.032 0.000 1.303 287 M CA -1.770 53.554 55.300 0.040 0.000 1.116 287 M CB 0.640 33.270 32.600 0.050 0.000 1.632 287 M HN -0.023 nan 8.290 nan 0.000 0.469 288 P HA -0.013 nan 4.420 nan 0.000 0.263 288 P C -2.439 174.876 177.300 0.025 0.000 1.168 288 P CA -0.608 62.507 63.100 0.024 0.000 0.759 288 P CB -0.379 31.338 31.700 0.029 0.000 0.782 289 P HA -0.185 nan 4.420 nan 0.000 0.219 289 P C 1.275 178.583 177.300 0.013 0.000 1.146 289 P CA 1.494 64.602 63.100 0.014 0.000 0.808 289 P CB -0.068 31.637 31.700 0.009 0.000 0.779 290 E N -1.180 119.031 120.200 0.019 0.000 2.478 290 E HA 0.046 4.386 4.350 -0.017 0.000 0.194 290 E C 1.354 177.970 176.600 0.026 0.000 1.045 290 E CA 0.628 57.039 56.400 0.018 0.000 0.868 290 E CB -0.582 29.129 29.700 0.018 0.000 0.885 290 E HN 0.088 nan 8.360 nan 0.000 0.505 291 S N 0.614 116.336 115.700 0.037 0.000 2.406 291 S HA -0.025 4.435 4.470 -0.017 0.000 0.224 291 S C 1.957 176.581 174.600 0.039 0.000 1.030 291 S CA 0.900 59.131 58.200 0.051 0.000 0.958 291 S CB 0.093 63.334 63.200 0.069 0.000 0.811 291 S HN 0.273 nan 8.310 nan 0.000 0.489 292 V N 1.612 121.543 119.914 0.028 0.000 2.970 292 V HA 0.033 4.143 4.120 -0.017 0.000 0.260 292 V C 2.359 178.454 176.094 0.001 0.000 1.100 292 V CA 1.127 63.437 62.300 0.016 0.000 1.122 292 V CB -1.391 30.437 31.823 0.008 0.000 0.721 292 V HN 0.447 nan 8.190 nan 0.000 0.483 293 A N 0.386 123.205 122.820 -0.001 0.000 1.930 293 A HA -0.138 4.172 4.320 -0.017 0.000 0.217 293 A C 2.317 179.886 177.584 -0.024 0.000 1.175 293 A CA 1.610 53.639 52.037 -0.012 0.000 0.627 293 A CB -0.362 18.633 19.000 -0.009 0.000 0.815 293 A HN 0.504 nan 8.150 nan 0.000 0.443 294 K N -0.759 119.630 120.400 -0.019 0.000 2.432 294 K HA 0.093 4.403 4.320 -0.017 0.000 0.196 294 K C 1.470 178.029 176.600 -0.069 0.000 1.038 294 K CA 0.605 56.864 56.287 -0.047 0.000 0.986 294 K CB 0.041 32.521 32.500 -0.034 0.000 0.782 294 K HN 0.268 nan 8.250 nan 0.000 0.485 295 V N 0.534 120.434 119.914 -0.024 0.000 3.129 295 V HA -0.046 4.063 4.120 -0.017 0.000 0.259 295 V C 1.878 177.948 176.094 -0.039 0.000 1.116 295 V CA 1.230 63.532 62.300 0.004 0.000 1.127 295 V CB 0.037 31.903 31.823 0.071 0.000 0.742 295 V HN 0.293 nan 8.190 nan 0.000 0.474 296 A N 0.383 123.171 122.820 -0.054 0.000 1.933 296 A HA -0.187 4.122 4.320 -0.017 0.000 0.218 296 A C 2.527 180.053 177.584 -0.097 0.000 1.175 296 A CA 2.328 54.326 52.037 -0.064 0.000 0.628 296 A CB -0.665 18.302 19.000 -0.055 0.000 0.814 296 A HN 0.758 nan 8.150 nan 0.000 0.444 297 S N -0.193 115.432 115.700 -0.126 0.000 2.406 297 S HA -0.071 4.388 4.470 -0.017 0.000 0.224 297 S C 1.715 176.188 174.600 -0.210 0.000 1.030 297 S CA 1.210 59.320 58.200 -0.150 0.000 0.958 297 S CB -0.971 62.141 63.200 -0.147 0.000 0.811 297 S HN 0.750 nan 8.310 nan 0.000 0.489 298 V N 1.470 121.201 119.914 -0.306 0.000 2.719 298 V HA -0.075 4.035 4.120 -0.017 0.000 0.252 298 V C 2.595 178.415 176.094 -0.456 0.000 1.065 298 V CA 1.158 63.183 62.300 -0.458 0.000 1.086 298 V CB -1.609 29.765 31.823 -0.748 0.000 0.700 298 V HN 0.683 nan 8.190 nan 0.000 0.467 299 Q N 0.080 119.671 119.800 -0.348 0.000 2.311 299 Q HA -0.108 4.222 4.340 -0.017 0.000 0.203 299 Q C 2.033 177.954 176.000 -0.132 0.000 0.954 299 Q CA 0.941 56.613 55.803 -0.218 0.000 0.885 299 Q CB -0.424 28.269 28.738 -0.076 0.000 0.963 299 Q HN 0.580 nan 8.270 nan 0.000 0.471 300 Q N 1.963 121.685 119.800 -0.130 0.000 1.891 300 Q HA -0.154 4.176 4.340 -0.017 0.000 0.214 300 Q C 1.747 177.696 176.000 -0.086 0.000 0.995 300 Q CA 1.684 57.431 55.803 -0.094 0.000 0.866 300 Q CB -0.482 28.200 28.738 -0.093 0.000 0.931 300 Q HN 0.278 nan 8.270 nan 0.000 0.422 301 K N 0.509 120.849 120.400 -0.100 0.000 2.574 301 K HA -0.023 4.286 4.320 -0.017 0.000 0.193 301 K C 1.828 178.382 176.600 -0.076 0.000 1.035 301 K CA 0.689 56.924 56.287 -0.085 0.000 0.982 301 K CB -0.595 31.852 32.500 -0.090 0.000 0.795 301 K HN 0.424 nan 8.250 nan 0.000 0.491 302 G N 0.222 108.969 108.800 -0.089 0.000 2.421 302 G HA2 -0.270 3.680 3.960 -0.017 0.000 0.216 302 G HA3 -0.270 3.680 3.960 -0.017 0.000 0.216 302 G C 1.574 176.472 174.900 -0.004 0.000 1.171 302 G CA 0.494 45.558 45.100 -0.059 0.000 0.775 302 G HN 0.238 nan 8.290 nan 0.000 0.543 303 R N 0.022 120.515 120.500 -0.011 0.000 2.075 303 R HA 0.027 4.357 4.340 -0.017 0.000 0.232 303 R C 2.482 178.780 176.300 -0.003 0.000 1.126 303 R CA 1.306 57.410 56.100 0.005 0.000 0.963 303 R CB -0.265 30.036 30.300 0.000 0.000 0.858 303 R HN 0.474 nan 8.270 nan 0.000 0.435 304 E N -0.075 120.108 120.200 -0.027 0.000 2.160 304 E HA -0.203 4.137 4.350 -0.017 0.000 0.195 304 E C 1.705 178.266 176.600 -0.066 0.000 0.991 304 E CA 1.588 57.963 56.400 -0.043 0.000 0.810 304 E CB 0.063 29.730 29.700 -0.055 0.000 0.742 304 E HN 0.391 nan 8.360 nan 0.000 0.466 305 S N 0.140 115.795 115.700 -0.075 0.000 2.368 305 S HA -0.149 4.311 4.470 -0.017 0.000 0.224 305 S C 2.018 176.540 174.600 -0.131 0.000 1.029 305 S CA 0.591 58.686 58.200 -0.176 0.000 0.988 305 S CB -0.389 62.727 63.200 -0.140 0.000 0.838 305 S HN 0.171 nan 8.310 nan 0.000 0.462 306 L N 2.168 123.434 121.223 0.071 0.000 2.034 306 L HA -0.187 4.143 4.340 -0.017 0.000 0.217 306 L C 2.713 179.642 176.870 0.097 0.000 1.077 306 L CA 2.111 57.047 54.840 0.160 0.000 0.769 306 L CB -1.175 40.949 42.059 0.107 0.000 0.890 306 L HN 0.449 nan 8.230 nan 0.000 0.435 307 E N -0.887 119.325 120.200 0.020 0.000 2.051 307 E HA -0.209 4.131 4.350 -0.017 0.000 0.192 307 E C 2.266 178.847 176.600 -0.031 0.000 0.991 307 E CA 1.402 57.801 56.400 -0.000 0.000 0.799 307 E CB -0.179 29.511 29.700 -0.017 0.000 0.748 307 E HN 0.492 nan 8.360 nan 0.000 0.449 308 I N 0.259 120.762 120.570 -0.112 0.000 2.264 308 I HA -0.279 3.881 4.170 -0.017 0.000 0.248 308 I C 1.901 177.932 176.117 -0.143 0.000 1.111 308 I CA 1.049 62.246 61.300 -0.172 0.000 1.382 308 I CB -0.351 37.475 38.000 -0.291 0.000 1.060 308 I HN 0.131 nan 8.210 nan 0.000 0.418 309 Y N 1.088 121.384 120.300 -0.007 0.000 2.133 309 Y HA -0.139 4.402 4.550 -0.015 0.000 0.287 309 Y C 2.774 178.662 175.900 -0.020 0.000 1.134 309 Y CA 0.891 58.987 58.100 -0.006 0.000 1.133 309 Y CB -1.201 37.263 38.460 0.006 0.000 0.987 309 Y HN 0.076 nan 8.280 nan 0.000 0.502 310 A N 0.717 123.626 122.820 0.148 0.000 1.903 310 A HA -0.286 4.024 4.320 -0.017 0.000 0.219 310 A C 2.151 179.740 177.584 0.010 0.000 1.191 310 A CA 2.289 54.364 52.037 0.064 0.000 0.638 310 A CB -0.906 18.124 19.000 0.050 0.000 0.823 310 A HN 0.480 nan 8.150 nan 0.000 0.451 311 N N 0.205 118.902 118.700 -0.005 0.000 2.084 311 N HA -0.090 4.640 4.740 -0.017 0.000 0.190 311 N C 1.701 177.170 175.510 -0.068 0.000 1.030 311 N CA 1.705 54.733 53.050 -0.037 0.000 0.849 311 N CB -0.616 37.847 38.487 -0.039 0.000 1.012 311 N HN 0.490 nan 8.380 nan 0.000 0.423 312 A N -0.029 122.757 122.820 -0.056 0.000 2.206 312 A HA 0.335 4.645 4.320 -0.017 0.000 0.211 312 A C 1.168 178.605 177.584 -0.245 0.000 1.158 312 A CA 0.781 52.760 52.037 -0.097 0.000 0.761 312 A CB -0.562 18.439 19.000 0.001 0.000 0.801 312 A HN 0.343 nan 8.150 nan 0.000 0.473 313 G N -0.708 107.998 108.800 -0.156 0.000 2.353 313 G HA2 -0.098 3.852 3.960 -0.017 0.000 0.294 313 G HA3 -0.098 3.852 3.960 -0.017 0.000 0.294 313 G C -0.252 174.631 174.900 -0.029 0.000 1.077 313 G CA 0.159 45.155 45.100 -0.173 0.000 1.098 313 G HN 0.882 nan 8.290 nan 0.000 0.511 314 V N 0.814 120.758 119.914 0.050 0.000 2.357 314 V HA 0.387 4.497 4.120 -0.017 0.000 0.284 314 V C 0.767 176.838 176.094 -0.037 0.000 1.018 314 V CA -1.142 61.188 62.300 0.049 0.000 0.841 314 V CB 1.548 33.447 31.823 0.126 0.000 0.991 314 V HN 0.478 nan 8.190 nan 0.000 0.437 315 K N 4.479 124.802 120.400 -0.128 0.000 2.527 315 K HA 0.269 4.579 4.320 -0.017 0.000 0.278 315 K C -0.305 176.282 176.600 -0.023 0.000 0.981 315 K CA 0.873 57.103 56.287 -0.095 0.000 1.009 315 K CB 0.250 32.618 32.500 -0.219 0.000 0.895 315 K HN 0.589 nan 8.250 nan 0.000 0.493 316 M N 1.928 121.549 119.600 0.035 0.000 2.197 316 M HA 0.323 4.793 4.480 -0.017 0.000 0.301 316 M C 0.078 176.428 176.300 0.084 0.000 0.987 316 M CA -0.635 54.675 55.300 0.016 0.000 0.921 316 M CB 2.243 34.844 32.600 0.002 0.000 1.569 316 M HN 0.754 nan 8.290 nan 0.000 0.431 317 G N 1.621 110.466 108.800 0.076 0.000 2.461 317 G HA2 0.596 4.546 3.960 -0.017 0.000 0.329 317 G HA3 0.596 4.546 3.960 -0.017 0.000 0.329 317 G C -1.627 173.340 174.900 0.113 0.000 1.170 317 G CA -0.461 44.703 45.100 0.107 0.000 0.935 317 G HN 0.615 nan 8.290 nan 0.000 0.492 318 F N 0.956 120.906 119.950 0.000 0.000 2.420 318 F HA 0.591 5.109 4.527 -0.016 0.000 0.352 318 F C 0.535 176.316 175.800 -0.033 0.000 1.108 318 F CA -0.102 57.874 58.000 -0.039 0.000 1.162 318 F CB 1.123 40.088 39.000 -0.059 0.000 1.118 318 F HN 0.528 nan 8.300 nan 0.000 0.510 319 G N 3.559 112.107 108.800 -0.421 0.000 2.662 319 G HA2 0.417 4.367 3.960 -0.017 0.000 0.302 319 G HA3 0.417 4.367 3.960 -0.017 0.000 0.302 319 G C -0.613 174.027 174.900 -0.435 0.000 1.389 319 G CA -0.504 44.437 45.100 -0.266 0.000 0.998 319 G HN 0.686 nan 8.290 nan 0.000 0.502 320 S N 0.634 116.191 115.700 -0.238 0.000 2.324 320 S HA 0.099 4.559 4.470 -0.017 0.000 0.210 320 S C 1.020 175.550 174.600 -0.115 0.000 1.027 320 S CA 0.898 58.987 58.200 -0.185 0.000 0.945 320 S CB -0.164 62.987 63.200 -0.081 0.000 0.908 320 S HN 0.840 nan 8.310 nan 0.000 0.496 321 D N 0.326 120.732 120.400 0.010 0.000 2.835 321 D HA -0.129 4.501 4.640 -0.017 0.000 0.230 321 D C -1.015 175.308 176.300 0.038 0.000 1.130 321 D CA 0.219 54.298 54.000 0.131 0.000 0.738 321 D CB -1.800 39.008 40.800 0.014 0.000 1.090 321 D HN 0.252 nan 8.370 nan 0.000 0.433 322 L N 0.236 121.424 121.223 -0.059 0.000 2.312 322 L HA 0.499 4.829 4.340 -0.017 0.000 0.281 322 L C 0.672 177.270 176.870 -0.453 0.000 1.070 322 L CA -0.652 54.070 54.840 -0.196 0.000 0.805 322 L CB 1.049 43.008 42.059 -0.166 0.000 1.174 322 L HN 0.004 nan 8.230 nan 0.000 0.434 323 L N 2.270 123.320 121.223 -0.288 0.000 2.334 323 L HA 0.792 5.122 4.340 -0.017 0.000 0.273 323 L C 0.912 177.664 176.870 -0.197 0.000 1.013 323 L CA -0.581 54.113 54.840 -0.243 0.000 0.816 323 L CB 1.423 43.422 42.059 -0.101 0.000 1.278 323 L HN 0.828 nan 8.230 nan 0.000 0.431 324 G N 1.703 110.448 108.800 -0.091 0.000 2.564 324 G HA2 -0.287 3.663 3.960 -0.017 0.000 0.273 324 G HA3 -0.287 3.663 3.960 -0.017 0.000 0.273 324 G C 0.729 175.587 174.900 -0.070 0.000 1.242 324 G CA 0.414 45.477 45.100 -0.061 0.000 0.951 324 G HN 0.852 nan 8.290 nan 0.000 0.564 325 E N 0.312 120.343 120.200 -0.281 0.000 2.338 325 E HA -0.052 4.288 4.350 -0.017 0.000 0.197 325 E C 2.522 179.003 176.600 -0.199 0.000 1.007 325 E CA 1.409 57.617 56.400 -0.320 0.000 0.849 325 E CB -0.284 29.041 29.700 -0.624 0.000 0.774 325 E HN 0.688 nan 8.360 nan 0.000 0.506 326 M N 0.552 120.107 119.600 -0.074 0.000 2.706 326 M HA -0.057 4.412 4.480 -0.017 0.000 0.251 326 M C 1.377 177.739 176.300 0.103 0.000 1.070 326 M CA 0.787 56.210 55.300 0.205 0.000 1.073 326 M CB -0.549 32.244 32.600 0.323 0.000 1.449 326 M HN 0.166 nan 8.290 nan 0.000 0.531 327 H N -0.087 118.975 119.070 -0.014 0.000 2.456 327 H HA -0.076 4.471 4.556 -0.016 0.000 0.296 327 H C 2.171 177.464 175.328 -0.059 0.000 1.079 327 H CA 1.282 57.318 56.048 -0.020 0.000 1.322 327 H CB 0.199 29.934 29.762 -0.045 0.000 1.388 327 H HN 0.477 nan 8.280 nan 0.000 0.538 328 A N 0.513 123.283 122.820 -0.083 0.000 1.908 328 A HA -0.197 4.113 4.320 -0.017 0.000 0.218 328 A C 1.551 179.039 177.584 -0.160 0.000 1.181 328 A CA 1.302 53.204 52.037 -0.225 0.000 0.627 328 A CB -0.977 17.729 19.000 -0.489 0.000 0.818 328 A HN 0.432 nan 8.150 nan 0.000 0.445 329 F N 0.465 120.482 119.950 0.111 0.000 2.772 329 F HA -0.020 4.499 4.527 -0.013 0.000 0.301 329 F C 2.121 177.998 175.800 0.128 0.000 1.250 329 F CA 0.744 58.815 58.000 0.118 0.000 1.441 329 F CB -0.374 38.691 39.000 0.107 0.000 1.112 329 F HN 0.433 nan 8.300 nan 0.000 0.563 330 Q N 0.256 120.203 119.800 0.245 0.000 2.124 330 Q HA -0.175 4.155 4.340 -0.017 0.000 0.202 330 Q C 2.005 178.217 176.000 0.353 0.000 0.977 330 Q CA 1.924 57.858 55.803 0.217 0.000 0.850 330 Q CB 0.012 28.828 28.738 0.129 0.000 0.901 330 Q HN 0.341 nan 8.270 nan 0.000 0.429 331 S N -0.253 115.706 115.700 0.431 0.000 2.461 331 S HA -0.001 4.459 4.470 -0.017 0.000 0.228 331 S C 1.726 176.615 174.600 0.482 0.000 1.005 331 S CA 0.590 59.127 58.200 0.561 0.000 0.942 331 S CB -0.083 63.412 63.200 0.491 0.000 0.776 331 S HN 0.645 nan 8.310 nan 0.000 0.514 332 G N 1.685 110.696 108.800 0.353 0.000 2.479 332 G HA2 -0.267 3.683 3.960 -0.017 0.000 0.220 332 G HA3 -0.267 3.683 3.960 -0.017 0.000 0.220 332 G C 1.210 176.238 174.900 0.213 0.000 1.115 332 G CA 1.113 46.379 45.100 0.276 0.000 0.757 332 G HN 0.536 nan 8.290 nan 0.000 0.560 333 E N -0.043 120.247 120.200 0.150 0.000 2.209 333 E HA -0.106 4.234 4.350 -0.017 0.000 0.196 333 E C 1.904 178.591 176.600 0.145 0.000 0.993 333 E CA 0.655 57.039 56.400 -0.028 0.000 0.819 333 E CB -0.359 29.026 29.700 -0.525 0.000 0.745 333 E HN 0.412 nan 8.360 nan 0.000 0.477 334 F N 0.529 120.707 119.950 0.380 0.000 2.069 334 F HA -0.097 4.419 4.527 -0.018 0.000 0.298 334 F C 2.513 178.397 175.800 0.139 0.000 1.113 334 F CA 1.627 59.791 58.000 0.274 0.000 1.214 334 F CB -0.506 38.565 39.000 0.120 0.000 0.978 334 F HN -0.009 nan 8.300 nan 0.000 0.474 335 R N 0.148 120.842 120.500 0.324 0.000 2.073 335 R HA -0.138 4.192 4.340 -0.017 0.000 0.234 335 R C 2.301 178.687 176.300 0.143 0.000 1.134 335 R CA 1.633 57.846 56.100 0.189 0.000 0.952 335 R CB -0.579 29.811 30.300 0.151 0.000 0.850 335 R HN 0.264 nan 8.270 nan 0.000 0.433 336 I N 0.298 120.945 120.570 0.129 0.000 2.194 336 I HA -0.350 3.810 4.170 -0.017 0.000 0.246 336 I C 2.325 178.492 176.117 0.084 0.000 1.093 336 I CA 1.549 62.900 61.300 0.085 0.000 1.355 336 I CB -0.305 37.730 38.000 0.058 0.000 1.046 336 I HN 0.203 nan 8.210 nan 0.000 0.413 337 R N 0.477 121.043 120.500 0.109 0.000 2.093 337 R HA 0.020 4.350 4.340 -0.017 0.000 0.224 337 R C 2.514 178.883 176.300 0.114 0.000 1.101 337 R CA 1.067 57.232 56.100 0.109 0.000 0.979 337 R CB -0.303 30.076 30.300 0.132 0.000 0.877 337 R HN 0.337 nan 8.270 nan 0.000 0.441 338 A N 1.738 124.639 122.820 0.134 0.000 1.865 338 A HA -0.231 4.079 4.320 -0.017 0.000 0.217 338 A C 1.871 179.500 177.584 0.074 0.000 1.191 338 A CA 1.555 53.654 52.037 0.105 0.000 0.623 338 A CB -0.478 18.585 19.000 0.105 0.000 0.826 338 A HN 0.308 nan 8.150 nan 0.000 0.444 339 E N -0.687 119.556 120.200 0.071 0.000 2.187 339 E HA -0.165 4.175 4.350 -0.017 0.000 0.199 339 E C 1.844 178.471 176.600 0.044 0.000 1.004 339 E CA 1.518 57.949 56.400 0.052 0.000 0.813 339 E CB -0.212 29.518 29.700 0.049 0.000 0.736 339 E HN 0.485 nan 8.360 nan 0.000 0.468 340 V N -0.079 119.865 119.914 0.051 0.000 2.575 340 V HA -0.051 4.059 4.120 -0.017 0.000 0.242 340 V C 1.322 177.443 176.094 0.044 0.000 1.045 340 V CA 0.977 63.303 62.300 0.043 0.000 1.065 340 V CB 0.060 31.911 31.823 0.046 0.000 0.717 340 V HN 0.166 nan 8.190 nan 0.000 0.467 341 L N 0.604 121.860 121.223 0.056 0.000 3.255 341 L HA 0.713 5.043 4.340 -0.017 0.000 0.293 341 L C 0.631 177.533 176.870 0.053 0.000 1.302 341 L CA -0.028 54.844 54.840 0.053 0.000 0.977 341 L CB 0.303 42.400 42.059 0.063 0.000 1.390 341 L HN 0.257 nan 8.230 nan 0.000 0.588 342 G N 1.748 110.577 108.800 0.048 0.000 3.068 342 G HA2 -0.285 3.665 3.960 -0.017 0.000 0.685 342 G HA3 -0.285 3.665 3.960 -0.017 0.000 0.685 342 G C 0.482 175.414 174.900 0.053 0.000 1.142 342 G CA 0.079 45.205 45.100 0.043 0.000 0.977 342 G HN 0.629 nan 8.290 nan 0.000 0.567 343 N N 1.683 120.410 118.700 0.044 0.000 2.571 343 N HA -0.040 4.690 4.740 -0.017 0.000 0.189 343 N C 1.981 177.510 175.510 0.033 0.000 1.154 343 N CA 0.852 53.930 53.050 0.047 0.000 0.907 343 N CB 0.086 38.587 38.487 0.024 0.000 0.977 343 N HN 0.605 nan 8.380 nan 0.000 0.449 344 L N 0.423 121.665 121.223 0.031 0.000 2.005 344 L HA -0.061 4.269 4.340 -0.017 0.000 0.207 344 L C 2.251 179.153 176.870 0.053 0.000 1.072 344 L CA 1.636 56.494 54.840 0.029 0.000 0.744 344 L CB -0.278 41.795 42.059 0.023 0.000 0.895 344 L HN 0.203 nan 8.230 nan 0.000 0.433 345 E N -0.351 119.887 120.200 0.062 0.000 2.118 345 E HA -0.237 4.103 4.350 -0.017 0.000 0.195 345 E C 2.072 178.743 176.600 0.118 0.000 0.992 345 E CA 1.207 57.654 56.400 0.079 0.000 0.804 345 E CB -0.003 29.739 29.700 0.071 0.000 0.741 345 E HN 0.592 nan 8.360 nan 0.000 0.458 346 A N 0.494 123.398 122.820 0.139 0.000 1.933 346 A HA -0.162 4.148 4.320 -0.017 0.000 0.218 346 A C 2.086 179.837 177.584 0.279 0.000 1.175 346 A CA 1.108 53.283 52.037 0.230 0.000 0.628 346 A CB -0.477 18.677 19.000 0.257 0.000 0.814 346 A HN 0.277 nan 8.150 nan 0.000 0.444 347 L N -1.541 119.775 121.223 0.155 0.000 2.179 347 L HA -0.045 4.285 4.340 -0.017 0.000 0.208 347 L C 2.774 179.717 176.870 0.122 0.000 1.096 347 L CA 0.571 55.473 54.840 0.102 0.000 0.779 347 L CB -0.384 41.666 42.059 -0.014 0.000 0.922 347 L HN 0.310 nan 8.230 nan 0.000 0.443 348 R N 0.060 120.626 120.500 0.111 0.000 2.081 348 R HA -0.150 4.180 4.340 -0.017 0.000 0.235 348 R C 2.652 179.029 176.300 0.128 0.000 1.131 348 R CA 1.709 57.870 56.100 0.102 0.000 0.960 348 R CB -0.448 29.902 30.300 0.084 0.000 0.856 348 R HN 0.478 nan 8.270 nan 0.000 0.436 349 S N 0.695 116.491 115.700 0.159 0.000 2.370 349 S HA -0.139 4.321 4.470 -0.017 0.000 0.226 349 S C 2.008 176.730 174.600 0.203 0.000 1.033 349 S CA 1.315 59.627 58.200 0.186 0.000 1.011 349 S CB -0.137 63.198 63.200 0.225 0.000 0.852 349 S HN 0.352 nan 8.310 nan 0.000 0.457 350 A N 0.881 123.812 122.820 0.185 0.000 2.238 350 A HA 0.369 4.679 4.320 -0.017 0.000 0.208 350 A C 1.786 179.463 177.584 0.155 0.000 1.177 350 A CA 0.969 53.069 52.037 0.105 0.000 0.804 350 A CB -0.564 18.333 19.000 -0.172 0.000 0.823 350 A HN 0.823 nan 8.150 nan 0.000 0.482 351 T N -5.098 109.541 114.554 0.142 0.000 3.359 351 T HA 0.011 4.350 4.350 -0.017 0.000 0.160 351 T C 1.842 176.596 174.700 0.091 0.000 0.924 351 T CA 1.088 63.263 62.100 0.125 0.000 0.951 351 T CB -0.801 68.139 68.868 0.120 0.000 1.404 351 T HN 0.261 nan 8.240 nan 0.000 0.309 352 T N 1.299 115.902 114.554 0.082 0.000 2.777 352 T HA 0.005 4.344 4.350 -0.017 0.000 0.266 352 T C 2.056 176.802 174.700 0.076 0.000 1.040 352 T CA 1.375 63.515 62.100 0.067 0.000 1.141 352 T CB -1.039 67.864 68.868 0.059 0.000 0.868 352 T HN 0.222 nan 8.240 nan 0.000 0.444 353 V N 2.336 122.309 119.914 0.098 0.000 2.323 353 V HA 0.011 4.121 4.120 -0.017 0.000 0.244 353 V C 3.275 179.419 176.094 0.084 0.000 1.041 353 V CA 1.318 63.698 62.300 0.134 0.000 1.025 353 V CB -1.543 30.374 31.823 0.157 0.000 0.656 353 V HN 0.638 nan 8.190 nan 0.000 0.451 354 A N 0.609 123.471 122.820 0.069 0.000 1.884 354 A HA -0.276 4.034 4.320 -0.017 0.000 0.219 354 A C 2.433 179.983 177.584 -0.056 0.000 1.197 354 A CA 2.762 54.812 52.037 0.021 0.000 0.637 354 A CB -1.062 17.992 19.000 0.090 0.000 0.827 354 A HN 0.629 nan 8.150 nan 0.000 0.450 355 A N -0.974 121.836 122.820 -0.017 0.000 1.972 355 A HA -0.179 4.131 4.320 -0.017 0.000 0.219 355 A C 2.023 179.549 177.584 -0.097 0.000 1.169 355 A CA 1.835 53.844 52.037 -0.047 0.000 0.635 355 A CB -0.500 18.502 19.000 0.004 0.000 0.810 355 A HN 0.713 nan 8.150 nan 0.000 0.446 356 E N -0.329 119.829 120.200 -0.070 0.000 2.106 356 E HA -0.121 4.218 4.350 -0.017 0.000 0.192 356 E C 1.832 178.234 176.600 -0.330 0.000 0.984 356 E CA 0.861 57.211 56.400 -0.082 0.000 0.806 356 E CB -0.169 29.591 29.700 0.099 0.000 0.750 356 E HN 0.679 nan 8.360 nan 0.000 0.458 357 I N 0.865 121.133 120.570 -0.504 0.000 2.179 357 I HA -0.221 3.939 4.170 -0.017 0.000 0.242 357 I C 2.080 177.822 176.117 -0.626 0.000 1.088 357 I CA 1.065 61.859 61.300 -0.842 0.000 1.357 357 I CB -0.039 37.584 38.000 -0.628 0.000 1.051 357 I HN 0.129 nan 8.210 nan 0.000 0.409 358 V N -1.444 118.210 119.914 -0.432 0.000 3.544 358 V HA 0.167 4.277 4.120 -0.017 0.000 0.304 358 V C 0.486 176.382 176.094 -0.330 0.000 1.256 358 V CA -0.185 61.840 62.300 -0.457 0.000 1.232 358 V CB -1.476 29.831 31.823 -0.860 0.000 1.065 358 V HN 0.548 nan 8.190 nan 0.000 0.423 359 N N 1.459 120.010 118.700 -0.249 0.000 2.714 359 N HA -0.184 4.546 4.740 -0.017 0.000 0.252 359 N C 0.305 175.771 175.510 -0.072 0.000 1.014 359 N CA 1.282 54.257 53.050 -0.126 0.000 0.735 359 N CB -0.571 37.882 38.487 -0.056 0.000 0.924 359 N HN 0.560 nan 8.380 nan 0.000 0.540 360 M N -0.141 119.410 119.600 -0.081 0.000 2.875 360 M HA 0.029 4.499 4.480 -0.017 0.000 0.403 360 M C 0.450 176.747 176.300 -0.005 0.000 1.304 360 M CA -0.097 55.193 55.300 -0.018 0.000 0.854 360 M CB 0.466 33.069 32.600 0.004 0.000 1.415 360 M HN 0.114 nan 8.290 nan 0.000 0.505 361 Q N 0.599 120.393 119.800 -0.010 0.000 2.271 361 Q HA 0.356 4.686 4.340 -0.017 0.000 0.273 361 Q C 0.790 176.800 176.000 0.017 0.000 1.051 361 Q CA 1.407 57.214 55.803 0.008 0.000 0.901 361 Q CB 0.576 29.323 28.738 0.015 0.000 1.174 361 Q HN 0.659 nan 8.270 nan 0.000 0.385 362 G N 2.822 111.635 108.800 0.021 0.000 2.217 362 G HA2 -0.314 3.635 3.960 -0.017 0.000 0.246 362 G HA3 -0.314 3.635 3.960 -0.017 0.000 0.246 362 G C 0.779 175.694 174.900 0.025 0.000 0.990 362 G CA 0.436 45.549 45.100 0.022 0.000 0.627 362 G HN 0.534 nan 8.290 nan 0.000 0.522 363 Q N -0.392 119.425 119.800 0.029 0.000 2.304 363 Q HA 0.579 4.909 4.340 -0.017 0.000 0.204 363 Q C 1.257 177.282 176.000 0.041 0.000 0.936 363 Q CA 1.090 56.916 55.803 0.038 0.000 0.878 363 Q CB 0.215 28.984 28.738 0.052 0.000 0.983 363 Q HN 0.661 nan 8.270 nan 0.000 0.516 364 L N -3.086 118.163 121.223 0.044 0.000 2.277 364 L HA 0.660 4.989 4.340 -0.017 0.000 0.254 364 L C 0.780 177.674 176.870 0.040 0.000 1.044 364 L CA -0.471 54.398 54.840 0.047 0.000 0.842 364 L CB 1.864 43.969 42.059 0.076 0.000 1.422 364 L HN 0.236 nan 8.230 nan 0.000 0.422 365 G N 0.102 108.927 108.800 0.043 0.000 2.184 365 G HA2 -0.219 3.731 3.960 -0.017 0.000 0.264 365 G HA3 -0.219 3.731 3.960 -0.017 0.000 0.264 365 G C -0.353 174.570 174.900 0.039 0.000 0.975 365 G CA 0.317 45.447 45.100 0.050 0.000 0.642 365 G HN 0.532 nan 8.290 nan 0.000 0.536 366 V N 1.343 121.272 119.914 0.026 0.000 2.655 366 V HA 0.567 4.677 4.120 -0.017 0.000 0.301 366 V C -0.082 176.017 176.094 0.009 0.000 1.082 366 V CA -1.056 61.255 62.300 0.018 0.000 0.899 366 V CB 1.505 33.339 31.823 0.019 0.000 1.014 366 V HN 0.311 nan 8.190 nan 0.000 0.429 367 I N 7.003 127.574 120.570 0.001 0.000 2.389 367 I HA 0.597 4.756 4.170 -0.017 0.000 0.295 367 I C 0.549 176.666 176.117 0.001 0.000 1.117 367 I CA 0.564 61.862 61.300 -0.004 0.000 1.317 367 I CB 0.477 38.469 38.000 -0.013 0.000 1.431 367 I HN 0.771 nan 8.210 nan 0.000 0.521 368 A N 5.671 128.495 122.820 0.007 0.000 2.567 368 A HA 0.735 5.045 4.320 -0.017 0.000 0.289 368 A C -0.907 176.685 177.584 0.014 0.000 1.177 368 A CA -0.545 51.498 52.037 0.011 0.000 0.694 368 A CB 1.273 20.280 19.000 0.011 0.000 1.292 368 A HN 0.207 nan 8.150 nan 0.000 0.425 369 V N 0.937 120.861 119.914 0.016 0.000 2.488 369 V HA 0.511 4.621 4.120 -0.017 0.000 0.277 369 V C 1.371 177.473 176.094 0.014 0.000 1.046 369 V CA 1.483 63.792 62.300 0.015 0.000 0.986 369 V CB 0.158 31.991 31.823 0.017 0.000 0.989 369 V HN 2.247 nan 8.190 nan 0.000 0.475 370 G N 3.793 112.601 108.800 0.013 0.000 2.213 370 G HA2 -0.092 3.858 3.960 -0.017 0.000 0.226 370 G HA3 -0.092 3.858 3.960 -0.017 0.000 0.226 370 G C 0.396 175.305 174.900 0.014 0.000 0.992 370 G CA 0.154 45.261 45.100 0.013 0.000 0.632 370 G HN 1.340 nan 8.290 nan 0.000 0.511 371 A N -0.007 122.821 122.820 0.014 0.000 2.287 371 A HA 0.779 5.088 4.320 -0.017 0.000 0.273 371 A C 0.574 178.165 177.584 0.013 0.000 1.091 371 A CA -0.241 51.805 52.037 0.016 0.000 0.817 371 A CB 0.376 19.385 19.000 0.015 0.000 1.069 371 A HN 0.772 nan 8.150 nan 0.000 0.492 372 I N 0.733 121.313 120.570 0.016 0.000 2.474 372 I HA 0.260 4.420 4.170 -0.017 0.000 0.287 372 I C 1.080 177.199 176.117 0.002 0.000 1.048 372 I CA -0.049 61.258 61.300 0.012 0.000 1.383 372 I CB 1.390 39.403 38.000 0.022 0.000 1.412 372 I HN 0.657 nan 8.210 nan 0.000 0.531 373 A N 4.625 127.441 122.820 -0.006 0.000 3.046 373 A HA 0.111 4.421 4.320 -0.017 0.000 0.259 373 A C -0.328 177.240 177.584 -0.027 0.000 1.843 373 A CA -0.126 51.900 52.037 -0.017 0.000 1.451 373 A CB -1.047 17.942 19.000 -0.019 0.000 1.025 373 A HN 0.624 nan 8.150 nan 0.000 0.625 374 D N 1.179 121.562 120.400 -0.028 0.000 2.485 374 D HA 0.450 5.080 4.640 -0.017 0.000 0.221 374 D C -0.621 175.630 176.300 -0.082 0.000 1.112 374 D CA 0.149 54.122 54.000 -0.046 0.000 0.911 374 D CB 0.734 41.520 40.800 -0.023 0.000 1.019 374 D HN 0.120 nan 8.370 nan 0.000 0.516 375 L N 2.228 123.392 121.223 -0.098 0.000 2.346 375 L HA 0.535 4.865 4.340 -0.017 0.000 0.276 375 L C -0.339 176.431 176.870 -0.168 0.000 1.006 375 L CA -1.078 53.692 54.840 -0.117 0.000 0.817 375 L CB 1.959 43.971 42.059 -0.077 0.000 1.272 375 L HN 0.016 nan 8.230 nan 0.000 0.421 376 V N 3.786 123.567 119.914 -0.222 0.000 2.384 376 V HA 0.460 4.570 4.120 -0.017 0.000 0.287 376 V C -0.082 175.946 176.094 -0.111 0.000 1.020 376 V CA -0.764 61.387 62.300 -0.249 0.000 0.850 376 V CB 2.262 33.757 31.823 -0.547 0.000 0.987 376 V HN 0.435 nan 8.190 nan 0.000 0.436 377 V N 6.631 126.527 119.914 -0.029 0.000 2.383 377 V HA 0.434 4.543 4.120 -0.017 0.000 0.275 377 V C -0.396 175.707 176.094 0.016 0.000 1.036 377 V CA -0.404 61.917 62.300 0.035 0.000 0.889 377 V CB 1.466 33.398 31.823 0.182 0.000 0.985 377 V HN 0.556 nan 8.190 nan 0.000 0.459 378 L N 4.591 125.815 121.223 0.001 0.000 2.356 378 L HA 0.514 4.844 4.340 -0.017 0.000 0.277 378 L C -0.231 176.630 176.870 -0.014 0.000 0.996 378 L CA -0.310 54.524 54.840 -0.010 0.000 0.822 378 L CB 1.712 43.765 42.059 -0.011 0.000 1.256 378 L HN 0.629 nan 8.230 nan 0.000 0.413 379 D N 3.523 123.911 120.400 -0.020 0.000 2.551 379 D HA 0.536 5.166 4.640 -0.017 0.000 0.223 379 D C 0.334 176.621 176.300 -0.021 0.000 1.144 379 D CA 1.130 55.118 54.000 -0.020 0.000 1.025 379 D CB -0.095 40.690 40.800 -0.026 0.000 1.085 379 D HN 0.798 nan 8.370 nan 0.000 0.506 380 G N 2.276 111.063 108.800 -0.023 0.000 2.334 380 G HA2 -0.031 3.919 3.960 -0.017 0.000 0.315 380 G HA3 -0.031 3.919 3.960 -0.017 0.000 0.315 380 G C -1.214 173.667 174.900 -0.031 0.000 1.284 380 G CA -1.094 43.991 45.100 -0.024 0.000 0.985 380 G HN 0.464 nan 8.290 nan 0.000 0.504 381 N N 0.939 119.620 118.700 -0.032 0.000 2.524 381 N HA 0.621 5.351 4.740 -0.017 0.000 0.261 381 N C -0.824 174.658 175.510 -0.046 0.000 0.998 381 N CA -1.769 51.259 53.050 -0.036 0.000 0.915 381 N CB 2.506 40.977 38.487 -0.028 0.000 1.187 381 N HN 0.190 nan 8.380 nan 0.000 0.507 382 P HA -0.118 nan 4.420 nan 0.000 0.223 382 P C 1.207 178.464 177.300 -0.071 0.000 1.151 382 P CA 0.380 63.422 63.100 -0.096 0.000 0.787 382 P CB 0.436 32.050 31.700 -0.144 0.000 0.788 383 L N -0.269 120.925 121.223 -0.048 0.000 2.275 383 L HA -0.047 4.283 4.340 -0.017 0.000 0.215 383 L C 2.178 179.037 176.870 -0.019 0.000 1.119 383 L CA 1.800 56.622 54.840 -0.030 0.000 0.790 383 L CB -1.256 40.790 42.059 -0.023 0.000 0.919 383 L HN -0.011 nan 8.230 nan 0.000 0.443 384 E N -2.081 118.106 120.200 -0.020 0.000 2.354 384 E HA 0.014 4.354 4.350 -0.017 0.000 0.203 384 E C -0.088 176.506 176.600 -0.010 0.000 0.841 384 E CA -0.052 56.341 56.400 -0.011 0.000 1.046 384 E CB 0.725 30.420 29.700 -0.008 0.000 1.040 384 E HN 0.123 nan 8.360 nan 0.000 0.504 385 D N 0.493 120.882 120.400 -0.018 0.000 2.427 385 D HA 0.084 4.714 4.640 -0.017 0.000 0.226 385 D C 0.473 176.753 176.300 -0.034 0.000 1.076 385 D CA -0.235 53.755 54.000 -0.016 0.000 0.849 385 D CB 1.148 41.940 40.800 -0.013 0.000 1.052 385 D HN -0.020 nan 8.370 nan 0.000 0.515 386 I N 3.443 123.998 120.570 -0.025 0.000 2.454 386 I HA 0.025 4.185 4.170 -0.017 0.000 0.254 386 I C 2.040 178.129 176.117 -0.046 0.000 1.156 386 I CA 1.220 62.493 61.300 -0.044 0.000 1.433 386 I CB -0.320 37.685 38.000 0.008 0.000 1.082 386 I HN 0.575 nan 8.210 nan 0.000 0.432 387 G N -0.249 108.546 108.800 -0.008 0.000 2.653 387 G HA2 -0.135 3.815 3.960 -0.017 0.000 0.212 387 G HA3 -0.135 3.815 3.960 -0.017 0.000 0.212 387 G C 1.636 176.530 174.900 -0.010 0.000 1.138 387 G CA 0.939 46.045 45.100 0.010 0.000 0.782 387 G HN 0.489 nan 8.290 nan 0.000 0.535 388 V N -1.670 118.217 119.914 -0.045 0.000 2.871 388 V HA -0.008 4.101 4.120 -0.017 0.000 0.256 388 V C 2.177 178.225 176.094 -0.076 0.000 1.082 388 V CA 1.672 63.942 62.300 -0.050 0.000 1.105 388 V CB -0.083 31.708 31.823 -0.053 0.000 0.713 388 V HN 0.128 nan 8.190 nan 0.000 0.473 389 V N 0.247 120.065 119.914 -0.160 0.000 3.048 389 V HA 0.440 4.550 4.120 -0.017 0.000 0.241 389 V C 2.557 178.594 176.094 -0.095 0.000 1.129 389 V CA 0.929 63.060 62.300 -0.280 0.000 1.128 389 V CB -0.274 31.043 31.823 -0.842 0.000 0.849 389 V HN 0.503 nan 8.190 nan 0.000 0.475 390 A N -0.219 122.602 122.820 0.001 0.000 2.302 390 A HA 0.054 4.364 4.320 -0.017 0.000 0.219 390 A C 1.188 178.881 177.584 0.182 0.000 1.243 390 A CA 0.792 52.951 52.037 0.204 0.000 0.856 390 A CB -0.529 18.608 19.000 0.229 0.000 0.893 390 A HN 0.462 nan 8.150 nan 0.000 0.491 391 D N 0.327 120.802 120.400 0.126 0.000 2.427 391 D HA 0.085 4.715 4.640 -0.017 0.000 0.224 391 D C 0.113 176.489 176.300 0.126 0.000 1.157 391 D CA -0.007 54.063 54.000 0.117 0.000 0.828 391 D CB -0.363 40.481 40.800 0.074 0.000 0.974 391 D HN 0.428 nan 8.370 nan 0.000 0.498 392 E N -0.414 119.889 120.200 0.172 0.000 2.302 392 E HA -0.245 4.095 4.350 -0.017 0.000 0.186 392 E C 0.797 177.474 176.600 0.129 0.000 1.444 392 E CA 0.482 56.987 56.400 0.174 0.000 0.671 392 E CB -1.261 28.522 29.700 0.139 0.000 1.122 392 E HN 0.589 nan 8.360 nan 0.000 0.366 393 G N 0.227 109.109 108.800 0.137 0.000 2.184 393 G HA2 -0.417 3.533 3.960 -0.017 0.000 0.264 393 G HA3 -0.417 3.533 3.960 -0.017 0.000 0.264 393 G C 0.976 175.906 174.900 0.049 0.000 0.975 393 G CA 1.175 46.334 45.100 0.098 0.000 0.642 393 G HN 1.139 nan 8.290 nan 0.000 0.536 394 A N -0.145 122.702 122.820 0.046 0.000 1.902 394 A HA 0.152 4.462 4.320 -0.017 0.000 0.217 394 A C 2.065 179.651 177.584 0.002 0.000 1.181 394 A CA 2.082 54.132 52.037 0.023 0.000 0.623 394 A CB -0.183 18.835 19.000 0.030 0.000 0.818 394 A HN 0.474 nan 8.150 nan 0.000 0.443 395 R N -1.212 119.291 120.500 0.004 0.000 2.586 395 R HA 0.303 4.633 4.340 -0.017 0.000 0.336 395 R C -0.741 175.546 176.300 -0.022 0.000 1.060 395 R CA -0.016 56.076 56.100 -0.013 0.000 1.079 395 R CB 0.844 31.137 30.300 -0.010 0.000 1.317 395 R HN 0.251 nan 8.270 nan 0.000 0.568 396 V N 1.780 121.680 119.914 -0.022 0.000 2.357 396 V HA 0.226 4.336 4.120 -0.017 0.000 0.284 396 V C 0.456 176.491 176.094 -0.098 0.000 1.018 396 V CA -0.326 61.950 62.300 -0.039 0.000 0.841 396 V CB 1.531 33.348 31.823 -0.009 0.000 0.991 396 V HN 0.385 nan 8.190 nan 0.000 0.437 397 E N 5.623 125.723 120.200 -0.166 0.000 2.490 397 E HA 0.102 4.442 4.350 -0.017 0.000 0.209 397 E C -0.943 175.289 176.600 -0.614 0.000 0.971 397 E CA 0.017 56.193 56.400 -0.373 0.000 0.988 397 E CB 0.525 29.956 29.700 -0.449 0.000 1.029 397 E HN 0.651 nan 8.360 nan 0.000 0.496 398 Y N 0.173 120.442 120.300 -0.051 0.000 2.442 398 Y HA 0.474 5.014 4.550 -0.017 0.000 0.344 398 Y C -0.570 175.278 175.900 -0.087 0.000 0.976 398 Y CA -1.085 56.979 58.100 -0.060 0.000 1.040 398 Y CB 2.532 40.958 38.460 -0.057 0.000 1.228 398 Y HN -0.249 nan 8.280 nan 0.000 0.451 399 V N 5.051 125.017 119.914 0.088 0.000 2.443 399 V HA 0.420 4.530 4.120 -0.017 0.000 0.293 399 V C -0.999 175.091 176.094 -0.007 0.000 1.021 399 V CA -0.655 61.638 62.300 -0.012 0.000 0.848 399 V CB 1.664 33.459 31.823 -0.047 0.000 0.998 399 V HN 0.495 nan 8.190 nan 0.000 0.424 400 L N 4.346 125.546 121.223 -0.039 0.000 2.307 400 L HA 0.616 4.946 4.340 -0.017 0.000 0.284 400 L C -0.163 176.678 176.870 -0.047 0.000 1.023 400 L CA 0.240 55.057 54.840 -0.039 0.000 0.810 400 L CB 1.712 43.742 42.059 -0.048 0.000 1.231 400 L HN 0.694 nan 8.230 nan 0.000 0.423 401 Q N 3.407 123.186 119.800 -0.036 0.000 2.310 401 Q HA 0.445 4.775 4.340 -0.017 0.000 0.270 401 Q C -0.653 175.329 176.000 -0.029 0.000 1.025 401 Q CA -0.735 55.047 55.803 -0.034 0.000 0.772 401 Q CB 1.181 29.899 28.738 -0.032 0.000 1.253 401 Q HN 0.402 nan 8.270 nan 0.000 0.450 402 R N 2.928 123.413 120.500 -0.025 0.000 3.092 402 R HA -0.337 3.993 4.340 -0.017 0.000 0.245 402 R C 0.637 176.924 176.300 -0.022 0.000 0.881 402 R CA 0.732 56.819 56.100 -0.021 0.000 0.614 402 R CB -1.828 28.458 30.300 -0.024 0.000 1.128 402 R HN 1.181 nan 8.270 nan 0.000 0.483 403 G N -1.110 107.677 108.800 -0.022 0.000 3.909 403 G HA2 -0.436 3.514 3.960 -0.017 0.000 0.218 403 G HA3 -0.436 3.514 3.960 -0.017 0.000 0.218 403 G C 0.279 175.162 174.900 -0.028 0.000 1.404 403 G CA 0.684 45.770 45.100 -0.024 0.000 0.905 403 G HN 0.811 nan 8.290 nan 0.000 0.589 404 T N 0.847 115.385 114.554 -0.026 0.000 2.868 404 T HA 0.573 4.912 4.350 -0.017 0.000 0.292 404 T C 0.256 174.942 174.700 -0.023 0.000 1.028 404 T CA 0.328 62.413 62.100 -0.025 0.000 1.059 404 T CB 1.409 70.264 68.868 -0.022 0.000 0.991 404 T HN 1.374 nan 8.240 nan 0.000 0.531 405 L N 4.642 125.854 121.223 -0.018 0.000 2.265 405 L HA 0.495 4.825 4.340 -0.017 0.000 0.288 405 L C 0.490 177.366 176.870 0.010 0.000 1.058 405 L CA -0.058 54.780 54.840 -0.002 0.000 0.809 405 L CB 1.070 43.129 42.059 0.001 0.000 1.179 405 L HN 0.638 nan 8.230 nan 0.000 0.429 406 V N 1.962 121.884 119.914 0.013 0.000 3.455 406 V HA 0.372 4.482 4.120 -0.017 0.000 0.250 406 V C 0.433 176.536 176.094 0.014 0.000 1.230 406 V CA 0.168 62.471 62.300 0.006 0.000 1.105 406 V CB -0.473 31.345 31.823 -0.008 0.000 0.850 406 V HN 0.595 nan 8.190 nan 0.000 0.461 407 K N 1.764 122.181 120.400 0.029 0.000 2.426 407 K HA 0.558 4.868 4.320 -0.017 0.000 0.254 407 K C -1.030 175.594 176.600 0.040 0.000 0.936 407 K CA -0.334 55.964 56.287 0.018 0.000 0.801 407 K CB 2.882 35.379 32.500 -0.005 0.000 1.139 407 K HN 0.171 nan 8.250 nan 0.000 0.424 408 R N 3.372 123.873 120.500 0.002 0.000 2.371 408 R HA 0.242 4.572 4.340 -0.017 0.000 0.312 408 R C -0.678 175.537 176.300 -0.142 0.000 0.980 408 R CA -0.137 55.927 56.100 -0.061 0.000 0.867 408 R CB 0.850 31.181 30.300 0.051 0.000 1.163 408 R HN 0.648 nan 8.270 nan 0.000 0.492 409 Q N 0.000 119.642 119.800 -0.263 0.000 2.315 409 Q HA 0.000 4.330 4.340 -0.017 0.000 0.214 409 Q CA 0.000 55.693 55.803 -0.184 0.000 1.022 409 Q CB 0.000 28.655 28.738 -0.138 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481