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_F DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE 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 0.000 174.693 174.700 -0.012 0.000 1.109 2 T CA 0.000 62.093 62.100 -0.011 0.000 1.349 2 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 3 I N -0.218 120.344 120.570 -0.014 0.000 2.841 3 I HA 0.670 4.840 4.170 -0.000 0.000 0.298 3 I C -1.826 174.280 176.117 -0.018 0.000 1.304 3 I CA -0.187 61.105 61.300 -0.014 0.000 1.019 3 I CB 2.314 40.307 38.000 -0.012 0.000 1.282 3 I HN 0.970 nan 8.210 nan 0.000 0.432 4 T N 5.500 120.042 114.554 -0.019 0.000 2.912 4 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 4 T C -1.442 173.245 174.700 -0.022 0.000 1.052 4 T CA -0.464 61.619 62.100 -0.027 0.000 0.996 4 T CB 2.118 70.962 68.868 -0.039 0.000 1.070 4 T HN 0.298 nan 8.240 nan 0.000 0.465 5 V N 4.079 123.980 119.914 -0.022 0.000 2.443 5 V HA 0.383 4.503 4.120 -0.000 0.000 0.293 5 V C -0.911 175.165 176.094 -0.029 0.000 1.021 5 V CA -0.967 61.332 62.300 -0.002 0.000 0.848 5 V CB 1.573 33.417 31.823 0.036 0.000 0.998 5 V HN 0.639 nan 8.190 nan 0.000 0.424 6 L N 6.067 127.266 121.223 -0.040 0.000 2.325 6 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 6 L C 0.479 177.308 176.870 -0.070 0.000 1.089 6 L CA 0.262 55.054 54.840 -0.080 0.000 0.836 6 L CB 0.536 42.541 42.059 -0.089 0.000 1.184 6 L HN 0.800 nan 8.230 nan 0.000 0.444 7 Q N 1.112 120.848 119.800 -0.108 0.000 2.271 7 Q HA 0.620 4.960 4.340 -0.000 0.000 0.258 7 Q C 0.684 176.451 176.000 -0.387 0.000 0.936 7 Q CA -0.358 55.298 55.803 -0.245 0.000 0.909 7 Q CB 1.622 30.336 28.738 -0.040 0.000 1.253 7 Q HN 0.775 nan 8.270 nan 0.000 0.440 8 G N 1.944 110.324 108.800 -0.701 0.000 2.143 8 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.248 8 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.248 8 G C 0.374 175.071 174.900 -0.337 0.000 0.991 8 G CA -0.203 44.649 45.100 -0.414 0.000 0.689 8 G HN 1.008 nan 8.290 nan 0.000 0.522 9 G N -0.568 108.088 108.800 -0.239 0.000 2.599 9 G HA2 0.473 4.433 3.960 -0.000 0.000 0.264 9 G HA3 0.473 4.433 3.960 -0.000 0.000 0.264 9 G C -0.048 174.765 174.900 -0.145 0.000 1.200 9 G CA -0.272 44.725 45.100 -0.172 0.000 0.896 9 G HN 0.503 nan 8.290 nan 0.000 0.536 10 N N -0.252 118.375 118.700 -0.122 0.000 2.589 10 N HA 0.342 5.081 4.740 -0.000 0.000 0.232 10 N C -0.544 174.926 175.510 -0.068 0.000 1.015 10 N CA -0.526 52.474 53.050 -0.084 0.000 0.931 10 N CB 2.129 40.567 38.487 -0.082 0.000 1.150 10 N HN 0.201 nan 8.380 nan 0.000 0.512 11 V N 2.932 122.803 119.914 -0.071 0.000 2.470 11 V HA 0.030 4.150 4.120 -0.000 0.000 0.276 11 V C 0.600 176.645 176.094 -0.082 0.000 1.040 11 V CA -0.464 61.794 62.300 -0.070 0.000 1.008 11 V CB 0.747 32.530 31.823 -0.067 0.000 0.990 11 V HN 0.636 nan 8.190 nan 0.000 0.477 12 L N 5.501 126.693 121.223 -0.053 0.000 2.385 12 L HA 0.261 4.601 4.340 -0.000 0.000 0.281 12 L C 0.351 177.198 176.870 -0.037 0.000 1.106 12 L CA 0.168 54.984 54.840 -0.041 0.000 0.856 12 L CB 0.372 42.418 42.059 -0.020 0.000 1.186 12 L HN 0.702 nan 8.230 nan 0.000 0.453 13 D N 4.702 125.075 120.400 -0.045 0.000 2.280 13 D HA 0.155 4.795 4.640 -0.000 0.000 0.236 13 D C 0.611 176.904 176.300 -0.012 0.000 1.082 13 D CA -0.391 53.591 54.000 -0.031 0.000 0.834 13 D CB 1.769 42.541 40.800 -0.046 0.000 1.100 13 D HN 0.518 nan 8.370 nan 0.000 0.486 14 L N 3.248 124.473 121.223 0.003 0.000 2.354 14 L HA -0.014 4.325 4.340 -0.000 0.000 0.212 14 L C 2.335 179.217 176.870 0.019 0.000 1.091 14 L CA 0.321 55.171 54.840 0.016 0.000 0.828 14 L CB 0.095 42.172 42.059 0.030 0.000 0.973 14 L HN 0.480 nan 8.230 nan 0.000 0.461 15 E N 0.139 120.348 120.200 0.016 0.000 2.371 15 E HA -0.122 4.227 4.350 -0.000 0.000 0.194 15 E C 1.763 178.371 176.600 0.013 0.000 1.012 15 E CA 0.618 57.029 56.400 0.018 0.000 0.860 15 E CB 0.089 29.800 29.700 0.018 0.000 0.811 15 E HN 0.440 nan 8.360 nan 0.000 0.502 16 R N -0.038 120.466 120.500 0.007 0.000 2.195 16 R HA 0.188 4.528 4.340 -0.000 0.000 0.197 16 R C 1.036 177.338 176.300 0.003 0.000 0.990 16 R CA 0.713 56.815 56.100 0.004 0.000 1.048 16 R CB 0.592 30.891 30.300 -0.002 0.000 0.997 16 R HN 0.276 nan 8.270 nan 0.000 0.502 17 G N 0.952 109.753 108.800 0.001 0.000 2.164 17 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.212 17 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.212 17 G C -0.235 174.663 174.900 -0.004 0.000 1.031 17 G CA 0.032 45.134 45.100 0.003 0.000 0.730 17 G HN 0.230 nan 8.290 nan 0.000 0.501 18 V N -2.518 117.387 119.914 -0.014 0.000 3.007 18 V HA 0.816 4.936 4.120 -0.000 0.000 0.311 18 V C 0.683 176.754 176.094 -0.038 0.000 1.120 18 V CA -1.680 60.607 62.300 -0.021 0.000 0.980 18 V CB 2.129 33.940 31.823 -0.020 0.000 1.033 18 V HN 0.283 nan 8.190 nan 0.000 0.429 19 L N 2.934 124.134 121.223 -0.037 0.000 2.417 19 L HA 0.455 4.795 4.340 -0.000 0.000 0.268 19 L C -0.515 176.307 176.870 -0.080 0.000 1.158 19 L CA -0.337 54.470 54.840 -0.054 0.000 0.819 19 L CB 1.039 43.075 42.059 -0.037 0.000 1.112 19 L HN 0.539 nan 8.230 nan 0.000 0.458 20 L N 3.819 124.954 121.223 -0.146 0.000 2.301 20 L HA 0.282 4.622 4.340 -0.000 0.000 0.278 20 L C 0.131 176.958 176.870 -0.071 0.000 1.022 20 L CA -0.720 53.964 54.840 -0.260 0.000 0.854 20 L CB 1.022 42.631 42.059 -0.749 0.000 1.226 20 L HN 0.600 nan 8.230 nan 0.000 0.429 21 E N 3.344 123.604 120.200 0.101 0.000 2.383 21 E HA 0.043 4.393 4.350 -0.000 0.000 0.264 21 E C 0.032 176.832 176.600 0.333 0.000 1.050 21 E CA -0.508 55.986 56.400 0.156 0.000 0.896 21 E CB 0.404 30.219 29.700 0.191 0.000 0.982 21 E HN 0.557 nan 8.360 nan 0.000 0.424 22 H N 0.466 119.599 119.070 0.106 0.000 2.690 22 H HA -0.164 4.392 4.556 -0.000 0.000 0.309 22 H C -0.709 174.662 175.328 0.072 0.000 1.138 22 H CA 0.960 57.031 56.048 0.038 0.000 1.142 22 H CB -1.847 27.927 29.762 0.021 0.000 1.410 22 H HN 0.512 nan 8.280 nan 0.000 0.409 23 H N 0.675 119.768 119.070 0.038 0.000 2.604 23 H HA 0.214 4.769 4.556 -0.000 0.000 0.306 23 H C 0.836 176.179 175.328 0.025 0.000 1.075 23 H CA -0.177 55.919 56.048 0.080 0.000 1.357 23 H CB 0.498 30.291 29.762 0.051 0.000 1.426 23 H HN 0.318 nan 8.280 nan 0.000 0.470 24 H N 1.650 120.753 119.070 0.054 0.000 2.629 24 H HA 0.253 4.809 4.556 -0.000 0.000 0.357 24 H C -0.162 175.187 175.328 0.035 0.000 1.121 24 H CA -0.366 55.697 56.048 0.026 0.000 1.406 24 H CB 1.920 31.681 29.762 -0.001 0.000 1.456 24 H HN 0.288 nan 8.280 nan 0.000 0.579 25 V N 3.753 123.736 119.914 0.115 0.000 2.540 25 V HA 0.291 4.411 4.120 -0.000 0.000 0.302 25 V C -0.842 175.278 176.094 0.044 0.000 1.035 25 V CA -0.596 61.745 62.300 0.068 0.000 0.873 25 V CB 1.482 33.324 31.823 0.033 0.000 0.992 25 V HN 0.447 nan 8.190 nan 0.000 0.428 26 V N 8.076 128.011 119.914 0.035 0.000 2.357 26 V HA 0.539 4.659 4.120 -0.000 0.000 0.284 26 V C -0.287 175.810 176.094 0.005 0.000 1.018 26 V CA -0.575 61.735 62.300 0.018 0.000 0.841 26 V CB 1.373 33.204 31.823 0.014 0.000 0.991 26 V HN 0.695 nan 8.190 nan 0.000 0.437 27 I N 3.763 124.330 120.570 -0.005 0.000 2.339 27 I HA 0.461 4.630 4.170 -0.000 0.000 0.290 27 I C -0.408 175.703 176.117 -0.010 0.000 0.994 27 I CA -0.461 60.833 61.300 -0.010 0.000 1.191 27 I CB 1.432 39.420 38.000 -0.019 0.000 1.343 27 I HN 0.608 nan 8.210 nan 0.000 0.458 28 D N 4.351 124.747 120.400 -0.008 0.000 2.425 28 D HA 0.585 5.225 4.640 -0.000 0.000 0.240 28 D C 0.759 177.054 176.300 -0.008 0.000 1.080 28 D CA 0.650 54.646 54.000 -0.008 0.000 0.836 28 D CB 1.557 42.354 40.800 -0.006 0.000 1.125 28 D HN 0.823 nan 8.370 nan 0.000 0.525 29 G N 4.242 113.036 108.800 -0.010 0.000 2.601 29 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.306 29 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.306 29 G C 0.698 175.591 174.900 -0.012 0.000 1.172 29 G CA 0.505 45.599 45.100 -0.011 0.000 0.966 29 G HN 0.570 nan 8.290 nan 0.000 0.542 30 E N 0.930 121.124 120.200 -0.010 0.000 2.526 30 E HA 0.215 4.565 4.350 -0.000 0.000 0.208 30 E C 0.838 177.434 176.600 -0.007 0.000 0.997 30 E CA -0.202 56.191 56.400 -0.011 0.000 0.961 30 E CB 0.687 30.381 29.700 -0.011 0.000 1.030 30 E HN 0.334 nan 8.360 nan 0.000 0.483 31 R N 0.965 121.462 120.500 -0.005 0.000 2.711 31 R HA 0.467 4.806 4.340 -0.000 0.000 0.284 31 R C -0.280 176.019 176.300 -0.001 0.000 0.968 31 R CA -0.802 55.298 56.100 -0.001 0.000 0.924 31 R CB 2.049 32.351 30.300 0.003 0.000 1.162 31 R HN -0.020 nan 8.270 nan 0.000 0.465 32 I N 2.766 123.337 120.570 0.002 0.000 2.452 32 I HA -0.024 4.146 4.170 -0.000 0.000 0.287 32 I C 1.299 177.420 176.117 0.008 0.000 1.079 32 I CA -0.048 61.255 61.300 0.004 0.000 1.387 32 I CB 1.090 39.094 38.000 0.006 0.000 1.404 32 I HN 0.422 nan 8.210 nan 0.000 0.522 33 V N 4.291 124.209 119.914 0.008 0.000 2.672 33 V HA 0.152 4.272 4.120 -0.000 0.000 0.242 33 V C 0.684 176.785 176.094 0.012 0.000 1.059 33 V CA 0.689 62.994 62.300 0.008 0.000 1.081 33 V CB -0.284 31.541 31.823 0.003 0.000 0.752 33 V HN 0.702 nan 8.190 nan 0.000 0.472 34 E N -0.355 119.855 120.200 0.017 0.000 2.314 34 E HA 0.597 4.947 4.350 -0.000 0.000 0.272 34 E C -1.882 174.745 176.600 0.044 0.000 0.884 34 E CA -0.352 56.063 56.400 0.025 0.000 0.753 34 E CB 3.118 32.826 29.700 0.014 0.000 1.213 34 E HN 0.047 nan 8.360 nan 0.000 0.432 35 V N 2.518 122.469 119.914 0.061 0.000 2.380 35 V HA 0.519 4.639 4.120 -0.000 0.000 0.286 35 V C -0.317 175.864 176.094 0.145 0.000 1.015 35 V CA -0.458 61.905 62.300 0.106 0.000 0.834 35 V CB 1.502 33.384 31.823 0.100 0.000 1.009 35 V HN 0.683 nan 8.190 nan 0.000 0.428 36 T N 1.731 116.364 114.554 0.132 0.000 2.889 36 T HA 0.370 4.720 4.350 -0.000 0.000 0.315 36 T C -0.552 174.072 174.700 -0.127 0.000 1.291 36 T CA -0.365 61.746 62.100 0.018 0.000 1.028 36 T CB 1.957 70.812 68.868 -0.022 0.000 1.235 36 T HN 0.774 nan 8.240 nan 0.000 0.491 37 D N 1.362 121.535 120.400 -0.378 0.000 2.358 37 D HA 0.154 4.793 4.640 -0.000 0.000 0.224 37 D C 0.584 176.803 176.300 -0.135 0.000 1.123 37 D CA -0.494 53.321 54.000 -0.309 0.000 0.833 37 D CB 0.062 40.538 40.800 -0.542 0.000 0.946 37 D HN 0.042 nan 8.370 nan 0.000 0.505 38 R N 2.371 122.779 120.500 -0.153 0.000 2.640 38 R HA 0.164 4.504 4.340 -0.000 0.000 0.270 38 R C -2.169 173.958 176.300 -0.288 0.000 1.024 38 R CA -1.901 54.098 56.100 -0.168 0.000 1.085 38 R CB -0.474 29.734 30.300 -0.153 0.000 0.963 38 R HN 0.133 nan 8.270 nan 0.000 0.426 39 P HA -0.046 nan 4.420 nan 0.000 0.262 39 P C -0.376 176.769 177.300 -0.258 0.000 1.199 39 P CA 0.173 63.137 63.100 -0.226 0.000 0.763 39 P CB 0.653 32.291 31.700 -0.104 0.000 0.790 40 V N 3.531 123.230 119.914 -0.358 0.000 2.547 40 V HA 0.180 4.299 4.120 -0.000 0.000 0.299 40 V C 0.071 176.087 176.094 -0.129 0.000 1.040 40 V CA -0.535 61.613 62.300 -0.254 0.000 0.913 40 V CB 1.652 33.285 31.823 -0.317 0.000 0.992 40 V HN 0.363 nan 8.190 nan 0.000 0.449 41 D N 5.170 125.518 120.400 -0.087 0.000 2.470 41 D HA 0.215 4.855 4.640 -0.000 0.000 0.226 41 D C -0.232 176.046 176.300 -0.037 0.000 1.196 41 D CA 0.073 54.041 54.000 -0.054 0.000 0.979 41 D CB 0.008 40.781 40.800 -0.045 0.000 1.059 41 D HN 0.320 nan 8.370 nan 0.000 0.515 42 L N 5.443 126.649 121.223 -0.029 0.000 2.302 42 L HA 0.266 4.605 4.340 -0.000 0.000 0.285 42 L C -1.194 175.668 176.870 -0.013 0.000 1.090 42 L CA -1.127 53.703 54.840 -0.017 0.000 0.866 42 L CB 0.878 42.934 42.059 -0.007 0.000 1.244 42 L HN 0.358 nan 8.230 nan 0.000 0.435 43 P HA 0.090 nan 4.420 nan 0.000 0.212 43 P C 0.569 177.863 177.300 -0.009 0.000 1.163 43 P CA 0.542 63.636 63.100 -0.011 0.000 0.892 43 P CB 0.556 32.249 31.700 -0.012 0.000 0.766 44 N N -0.895 117.799 118.700 -0.010 0.000 2.282 44 N HA 0.385 5.125 4.740 -0.000 0.000 0.240 44 N C -0.418 175.086 175.510 -0.011 0.000 1.182 44 N CA -0.213 52.831 53.050 -0.009 0.000 0.874 44 N CB 0.385 38.867 38.487 -0.009 0.000 1.126 44 N HN 0.138 nan 8.380 nan 0.000 0.516 45 A N 0.303 123.116 122.820 -0.011 0.000 2.371 45 A HA 0.284 4.603 4.320 -0.000 0.000 0.257 45 A C 0.214 177.789 177.584 -0.015 0.000 1.089 45 A CA -0.191 51.839 52.037 -0.012 0.000 0.794 45 A CB 0.363 19.357 19.000 -0.009 0.000 1.029 45 A HN 0.209 nan 8.150 nan 0.000 0.488 46 Q N 0.970 120.757 119.800 -0.022 0.000 2.325 46 Q HA 0.429 4.769 4.340 -0.000 0.000 0.256 46 Q C 0.122 176.099 176.000 -0.038 0.000 1.142 46 Q CA 0.554 56.339 55.803 -0.030 0.000 0.902 46 Q CB 0.471 29.186 28.738 -0.038 0.000 1.350 46 Q HN 0.787 nan 8.270 nan 0.000 0.449 47 A N 4.644 127.445 122.820 -0.031 0.000 2.362 47 A HA 0.479 4.799 4.320 -0.000 0.000 0.276 47 A C -0.495 177.049 177.584 -0.068 0.000 1.153 47 A CA -0.337 51.680 52.037 -0.034 0.000 0.813 47 A CB 0.153 19.146 19.000 -0.011 0.000 1.081 47 A HN 0.781 nan 8.150 nan 0.000 0.507 48 I N 2.157 122.662 120.570 -0.108 0.000 2.389 48 I HA 0.190 4.360 4.170 -0.000 0.000 0.288 48 I C -0.559 175.468 176.117 -0.150 0.000 0.999 48 I CA -0.515 60.678 61.300 -0.180 0.000 1.129 48 I CB 1.928 39.723 38.000 -0.342 0.000 1.288 48 I HN 0.623 nan 8.210 nan 0.000 0.444 49 D N 5.543 125.882 120.400 -0.102 0.000 2.325 49 D HA 0.269 4.908 4.640 -0.000 0.000 0.251 49 D C -0.046 176.219 176.300 -0.059 0.000 1.196 49 D CA 0.137 54.099 54.000 -0.063 0.000 0.866 49 D CB 1.049 41.837 40.800 -0.020 0.000 1.101 49 D HN 0.226 nan 8.370 nan 0.000 0.476 50 V N 4.449 124.313 119.914 -0.083 0.000 2.804 50 V HA 0.195 4.315 4.120 -0.000 0.000 0.360 50 V C -0.091 175.947 176.094 -0.094 0.000 1.282 50 V CA -0.709 61.550 62.300 -0.067 0.000 1.274 50 V CB -0.688 31.080 31.823 -0.092 0.000 1.415 50 V HN 0.464 nan 8.190 nan 0.000 0.610 51 R N 0.600 121.054 120.500 -0.076 0.000 2.489 51 R HA 0.555 4.895 4.340 -0.000 0.000 0.287 51 R C 1.184 177.429 176.300 -0.091 0.000 1.053 51 R CA 0.488 56.526 56.100 -0.103 0.000 1.036 51 R CB -0.387 29.901 30.300 -0.019 0.000 0.966 51 R HN 0.497 nan 8.270 nan 0.000 0.432 52 G N 1.033 109.738 108.800 -0.158 0.000 2.179 52 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.257 52 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.257 52 G C -0.432 174.427 174.900 -0.068 0.000 1.010 52 G CA 0.545 45.587 45.100 -0.096 0.000 0.736 52 G HN 0.598 nan 8.290 nan 0.000 0.513 53 K N -0.170 120.183 120.400 -0.079 0.000 2.422 53 K HA 0.528 4.847 4.320 -0.000 0.000 0.251 53 K C -0.228 176.341 176.600 -0.053 0.000 0.933 53 K CA -0.660 55.600 56.287 -0.045 0.000 0.798 53 K CB 1.626 34.120 32.500 -0.010 0.000 1.238 53 K HN 0.050 nan 8.250 nan 0.000 0.428 54 T N 1.533 116.063 114.554 -0.040 0.000 2.814 54 T HA 0.132 4.481 4.350 -0.000 0.000 0.297 54 T C -0.622 174.057 174.700 -0.035 0.000 0.956 54 T CA -0.424 61.651 62.100 -0.041 0.000 1.123 54 T CB 0.784 69.631 68.868 -0.036 0.000 0.902 54 T HN 0.294 nan 8.240 nan 0.000 0.528 55 V N 7.151 127.040 119.914 -0.042 0.000 2.384 55 V HA 0.793 4.913 4.120 -0.000 0.000 0.287 55 V C -0.524 175.546 176.094 -0.041 0.000 1.020 55 V CA -0.843 61.431 62.300 -0.042 0.000 0.850 55 V CB 0.658 32.453 31.823 -0.045 0.000 0.987 55 V HN 0.952 nan 8.190 nan 0.000 0.436 56 M N 6.166 125.738 119.600 -0.047 0.000 2.658 56 M HA 0.828 5.307 4.480 -0.000 0.000 0.295 56 M C -2.972 173.289 176.300 -0.066 0.000 1.248 56 M CA -2.213 53.068 55.300 -0.032 0.000 0.843 56 M CB 2.109 34.718 32.600 0.015 0.000 1.749 56 M HN 0.270 nan 8.290 nan 0.000 0.464 57 P HA 0.148 nan 4.420 nan 0.000 0.267 57 P C 0.057 177.260 177.300 -0.161 0.000 1.200 57 P CA 0.231 63.298 63.100 -0.056 0.000 0.772 57 P CB 0.188 31.892 31.700 0.007 0.000 0.855 58 G N 2.228 110.900 108.800 -0.213 0.000 2.391 58 G HA2 0.155 4.115 3.960 -0.000 0.000 0.234 58 G HA3 0.155 4.115 3.960 -0.000 0.000 0.234 58 G C -0.534 174.231 174.900 -0.225 0.000 1.284 58 G CA -0.279 44.602 45.100 -0.365 0.000 0.873 58 G HN 0.220 nan 8.290 nan 0.000 0.549 59 F N 0.436 120.290 119.950 -0.160 0.000 2.418 59 F HA 0.449 4.976 4.527 -0.000 0.000 0.341 59 F C 0.835 176.669 175.800 0.057 0.000 1.120 59 F CA -1.131 56.756 58.000 -0.188 0.000 1.232 59 F CB 0.805 39.406 39.000 -0.665 0.000 1.175 59 F HN 0.168 nan 8.300 nan 0.000 0.569 60 I N 2.270 123.032 120.570 0.320 0.000 2.411 60 I HA 0.176 4.346 4.170 -0.000 0.000 0.284 60 I C -0.577 175.750 176.117 0.349 0.000 1.012 60 I CA -0.663 60.825 61.300 0.314 0.000 1.119 60 I CB 1.288 39.398 38.000 0.183 0.000 1.261 60 I HN 0.432 nan 8.210 nan 0.000 0.448 61 D N 5.184 125.819 120.400 0.392 0.000 2.295 61 D HA 0.179 4.819 4.640 -0.000 0.000 0.248 61 D C 0.402 176.813 176.300 0.185 0.000 1.154 61 D CA -0.258 53.928 54.000 0.309 0.000 0.857 61 D CB 1.650 42.455 40.800 0.009 0.000 1.117 61 D HN 0.575 nan 8.370 nan 0.000 0.468 62 C N 2.518 121.923 119.300 0.175 0.000 2.696 62 C HA 0.113 4.573 4.460 -0.000 0.000 0.264 62 C C 0.881 175.903 174.990 0.054 0.000 1.288 62 C CA -0.124 58.939 59.018 0.075 0.000 1.717 62 C CB -1.418 26.344 27.740 0.037 0.000 1.893 62 C HN 0.608 nan 8.230 nan 0.000 0.577 63 H N 0.134 119.167 119.070 -0.062 0.000 2.974 63 H HA 0.488 5.044 4.556 -0.000 0.000 0.285 63 H C -0.644 174.592 175.328 -0.152 0.000 1.227 63 H CA -0.177 55.791 56.048 -0.133 0.000 1.569 63 H CB 0.560 30.224 29.762 -0.163 0.000 1.648 63 H HN 0.116 nan 8.280 nan 0.000 0.521 64 V N 1.003 120.824 119.914 -0.156 0.000 2.919 64 V HA 0.531 4.651 4.120 -0.000 0.000 0.316 64 V C -0.414 175.482 176.094 -0.329 0.000 1.077 64 V CA -0.787 61.443 62.300 -0.116 0.000 0.977 64 V CB 2.283 34.095 31.823 -0.018 0.000 1.039 64 V HN 0.706 nan 8.190 nan 0.000 0.441 65 H N 2.025 121.151 119.070 0.094 0.000 2.632 65 H HA 0.389 4.945 4.556 -0.000 0.000 0.258 65 H C 0.761 176.164 175.328 0.125 0.000 1.278 65 H CA -0.267 55.831 56.048 0.082 0.000 1.352 65 H CB 1.730 31.545 29.762 0.088 0.000 1.418 65 H HN 0.552 nan 8.280 nan 0.000 0.513 66 V N 2.677 122.668 119.914 0.128 0.000 2.568 66 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 66 V C 2.040 178.142 176.094 0.013 0.000 1.072 66 V CA 1.658 63.989 62.300 0.053 0.000 1.084 66 V CB -0.198 31.628 31.823 0.004 0.000 0.676 66 V HN 0.535 nan 8.190 nan 0.000 0.469 67 L N -0.287 120.970 121.223 0.057 0.000 2.585 67 L HA 0.331 4.671 4.340 -0.000 0.000 0.226 67 L C 1.514 178.398 176.870 0.024 0.000 1.113 67 L CA 0.275 55.127 54.840 0.019 0.000 0.876 67 L CB -0.187 41.884 42.059 0.020 0.000 1.072 67 L HN 0.209 nan 8.230 nan 0.000 0.468 68 A N 0.111 122.986 122.820 0.092 0.000 2.897 68 A HA 0.154 4.474 4.320 -0.000 0.000 0.287 68 A C 1.443 179.072 177.584 0.076 0.000 1.748 68 A CA 0.526 52.611 52.037 0.081 0.000 1.397 68 A CB -0.384 18.698 19.000 0.137 0.000 1.049 68 A HN 0.398 nan 8.150 nan 0.000 0.592 69 S N 1.179 116.873 115.700 -0.009 0.000 2.524 69 S HA 0.071 4.541 4.470 -0.000 0.000 0.216 69 S C 0.389 174.961 174.600 -0.047 0.000 0.987 69 S CA 0.175 58.348 58.200 -0.046 0.000 0.909 69 S CB -0.469 62.691 63.200 -0.067 0.000 0.781 69 S HN 0.941 nan 8.310 nan 0.000 0.521 70 N N -1.216 117.459 118.700 -0.042 0.000 2.329 70 N HA 0.669 5.408 4.740 -0.000 0.000 0.282 70 N C 0.395 175.880 175.510 -0.042 0.000 1.198 70 N CA -0.389 52.631 53.050 -0.050 0.000 0.790 70 N CB 1.043 39.498 38.487 -0.054 0.000 1.579 70 N HN -0.065 nan 8.380 nan 0.000 0.475 71 A N 0.696 123.504 122.820 -0.018 0.000 2.015 71 A HA -0.107 4.212 4.320 -0.000 0.000 0.219 71 A C 0.913 178.478 177.584 -0.031 0.000 1.163 71 A CA 0.886 52.927 52.037 0.007 0.000 0.646 71 A CB -0.716 18.336 19.000 0.087 0.000 0.806 71 A HN 0.744 nan 8.150 nan 0.000 0.448 72 N N 1.107 119.778 118.700 -0.050 0.000 2.448 72 N HA 0.190 4.930 4.740 -0.000 0.000 0.250 72 N C 0.622 175.999 175.510 -0.222 0.000 1.136 72 N CA -0.008 52.981 53.050 -0.102 0.000 0.953 72 N CB 0.368 38.816 38.487 -0.066 0.000 1.251 72 N HN 0.382 nan 8.380 nan 0.000 0.502 73 L N 2.339 123.342 121.223 -0.366 0.000 2.201 73 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 73 L C 2.245 178.590 176.870 -0.875 0.000 1.105 73 L CA 0.996 55.462 54.840 -0.624 0.000 0.775 73 L CB -0.330 41.238 42.059 -0.818 0.000 0.913 73 L HN 0.548 nan 8.230 nan 0.000 0.440 74 G N -0.442 107.865 108.800 -0.822 0.000 2.480 74 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.216 74 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.216 74 G C 1.597 176.353 174.900 -0.240 0.000 1.200 74 G CA 0.937 45.751 45.100 -0.476 0.000 0.782 74 G HN 0.192 nan 8.290 nan 0.000 0.554 75 V N 0.894 120.703 119.914 -0.175 0.000 2.667 75 V HA -0.100 4.020 4.120 -0.000 0.000 0.252 75 V C 2.479 178.511 176.094 -0.103 0.000 1.065 75 V CA 2.118 64.358 62.300 -0.101 0.000 1.083 75 V CB -0.445 31.340 31.823 -0.065 0.000 0.692 75 V HN 0.473 nan 8.190 nan 0.000 0.468 76 N N 0.385 118.995 118.700 -0.149 0.000 2.104 76 N HA -0.157 4.583 4.740 -0.000 0.000 0.190 76 N C 1.798 177.248 175.510 -0.100 0.000 1.024 76 N CA 1.680 54.655 53.050 -0.125 0.000 0.853 76 N CB -0.322 38.070 38.487 -0.157 0.000 1.008 76 N HN 0.499 nan 8.380 nan 0.000 0.424 77 A N -0.795 121.949 122.820 -0.127 0.000 1.972 77 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 77 A C 2.048 179.621 177.584 -0.019 0.000 1.169 77 A CA 1.998 54.002 52.037 -0.056 0.000 0.635 77 A CB -0.900 18.080 19.000 -0.033 0.000 0.810 77 A HN 0.551 nan 8.150 nan 0.000 0.446 78 T N -1.509 113.026 114.554 -0.031 0.000 3.086 78 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 78 T C 0.735 175.428 174.700 -0.012 0.000 1.074 78 T CA 0.153 62.247 62.100 -0.011 0.000 0.988 78 T CB -0.401 68.460 68.868 -0.011 0.000 0.988 78 T HN 0.700 nan 8.240 nan 0.000 0.530 79 Q N 1.654 121.441 119.800 -0.020 0.000 2.373 79 Q HA 0.383 4.723 4.340 -0.000 0.000 0.255 79 Q C -2.743 173.253 176.000 -0.007 0.000 0.980 79 Q CA -2.034 53.758 55.803 -0.017 0.000 0.882 79 Q CB 0.014 28.737 28.738 -0.026 0.000 1.249 79 Q HN 0.074 nan 8.270 nan 0.000 0.438 80 P HA 0.004 nan 4.420 nan 0.000 0.267 80 P C -0.168 177.133 177.300 0.002 0.000 1.200 80 P CA -0.237 62.863 63.100 -0.000 0.000 0.772 80 P CB 0.565 32.264 31.700 -0.002 0.000 0.855 81 N N 2.065 120.770 118.700 0.009 0.000 2.025 81 N HA -0.158 4.582 4.740 -0.000 0.000 0.194 81 N C 1.549 177.063 175.510 0.006 0.000 1.044 81 N CA 1.064 54.122 53.050 0.013 0.000 0.851 81 N CB -0.885 37.616 38.487 0.022 0.000 1.036 81 N HN 0.462 nan 8.380 nan 0.000 0.422 82 I N 0.719 121.291 120.570 0.003 0.000 2.361 82 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 82 I C 1.679 177.791 176.117 -0.009 0.000 1.133 82 I CA 1.111 62.410 61.300 -0.002 0.000 1.413 82 I CB -0.507 37.492 38.000 -0.001 0.000 1.073 82 I HN 0.102 nan 8.210 nan 0.000 0.424 83 L N 1.164 122.381 121.223 -0.010 0.000 2.056 83 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 83 L C 2.952 179.810 176.870 -0.021 0.000 1.078 83 L CA 1.313 56.143 54.840 -0.016 0.000 0.749 83 L CB -0.649 41.400 42.059 -0.016 0.000 0.901 83 L HN 0.305 nan 8.230 nan 0.000 0.433 84 A N -0.056 122.754 122.820 -0.017 0.000 1.883 84 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 84 A C 2.494 180.064 177.584 -0.023 0.000 1.186 84 A CA 1.892 53.917 52.037 -0.020 0.000 0.624 84 A CB -0.774 18.220 19.000 -0.011 0.000 0.822 84 A HN 0.433 nan 8.150 nan 0.000 0.444 85 A N 0.077 122.887 122.820 -0.016 0.000 1.858 85 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 85 A C 2.003 179.569 177.584 -0.030 0.000 1.190 85 A CA 1.725 53.751 52.037 -0.020 0.000 0.617 85 A CB -0.596 18.397 19.000 -0.012 0.000 0.827 85 A HN 0.395 nan 8.150 nan 0.000 0.443 86 I N -0.038 120.515 120.570 -0.028 0.000 2.151 86 I HA -0.241 3.929 4.170 -0.000 0.000 0.243 86 I C 2.449 178.540 176.117 -0.044 0.000 1.080 86 I CA 1.613 62.893 61.300 -0.033 0.000 1.339 86 I CB -1.363 36.620 38.000 -0.028 0.000 1.039 86 I HN 0.348 nan 8.210 nan 0.000 0.409 87 R N 0.525 120.997 120.500 -0.047 0.000 2.285 87 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 87 R C 2.198 178.449 176.300 -0.082 0.000 1.068 87 R CA 1.245 57.308 56.100 -0.061 0.000 1.004 87 R CB -0.174 30.091 30.300 -0.059 0.000 0.873 87 R HN 0.520 nan 8.270 nan 0.000 0.467 88 S N -0.168 115.487 115.700 -0.075 0.000 2.528 88 S HA 0.061 4.530 4.470 -0.000 0.000 0.219 88 S C 1.898 176.443 174.600 -0.091 0.000 0.985 88 S CA 0.042 58.186 58.200 -0.093 0.000 0.914 88 S CB -0.019 63.141 63.200 -0.067 0.000 0.776 88 S HN 0.191 nan 8.310 nan 0.000 0.526 89 L N 1.317 122.497 121.223 -0.073 0.000 2.027 89 L HA 0.031 4.371 4.340 -0.000 0.000 0.206 89 L C -0.567 176.263 176.870 -0.067 0.000 1.074 89 L CA 1.322 56.124 54.840 -0.063 0.000 0.745 89 L CB -1.828 40.201 42.059 -0.050 0.000 0.898 89 L HN 0.265 nan 8.230 nan 0.000 0.433 90 P HA -0.178 nan 4.420 nan 0.000 0.215 90 P C 1.831 179.072 177.300 -0.098 0.000 1.153 90 P CA 1.526 64.580 63.100 -0.077 0.000 0.853 90 P CB 0.034 31.684 31.700 -0.083 0.000 0.788 91 I N -1.510 118.970 120.570 -0.149 0.000 2.163 91 I HA -0.237 3.933 4.170 -0.000 0.000 0.243 91 I C 2.368 178.405 176.117 -0.133 0.000 1.085 91 I CA 1.379 62.543 61.300 -0.227 0.000 1.347 91 I CB -0.622 37.142 38.000 -0.393 0.000 1.044 91 I HN -0.102 nan 8.210 nan 0.000 0.408 92 L N 0.093 121.259 121.223 -0.095 0.000 2.056 92 L HA -0.237 4.103 4.340 -0.000 0.000 0.207 92 L C 2.250 179.107 176.870 -0.021 0.000 1.078 92 L CA 1.375 56.186 54.840 -0.049 0.000 0.749 92 L CB -0.536 41.493 42.059 -0.050 0.000 0.901 92 L HN 0.251 nan 8.230 nan 0.000 0.433 93 D N -0.095 120.288 120.400 -0.029 0.000 2.123 93 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 93 D C 2.121 178.425 176.300 0.008 0.000 0.992 93 D CA 1.464 55.456 54.000 -0.014 0.000 0.833 93 D CB 0.152 40.938 40.800 -0.025 0.000 0.954 93 D HN 0.273 nan 8.370 nan 0.000 0.455 94 A N -0.162 122.659 122.820 0.002 0.000 1.898 94 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 94 A C 2.344 179.980 177.584 0.088 0.000 1.181 94 A CA 1.287 53.341 52.037 0.029 0.000 0.620 94 A CB -0.565 18.438 19.000 0.005 0.000 0.819 94 A HN 0.259 nan 8.150 nan 0.000 0.442 95 M N -1.206 118.448 119.600 0.090 0.000 2.108 95 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 95 M C 2.195 178.653 176.300 0.262 0.000 1.066 95 M CA 1.659 57.061 55.300 0.170 0.000 1.107 95 M CB -0.402 32.250 32.600 0.086 0.000 1.356 95 M HN 0.481 nan 8.290 nan 0.000 0.406 96 L N 0.156 121.469 121.223 0.150 0.000 2.056 96 L HA -0.135 4.204 4.340 -0.000 0.000 0.207 96 L C 2.619 179.544 176.870 0.092 0.000 1.078 96 L CA 2.193 57.103 54.840 0.117 0.000 0.749 96 L CB -0.677 41.413 42.059 0.052 0.000 0.901 96 L HN 0.369 nan 8.230 nan 0.000 0.433 97 S N -1.149 114.599 115.700 0.079 0.000 2.515 97 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 97 S C 1.943 176.594 174.600 0.084 0.000 0.987 97 S CA 0.412 58.643 58.200 0.052 0.000 0.936 97 S CB -0.579 62.640 63.200 0.031 0.000 0.766 97 S HN 0.542 nan 8.310 nan 0.000 0.528 98 R N 0.404 121.008 120.500 0.174 0.000 2.313 98 R HA 0.214 4.553 4.340 -0.000 0.000 0.199 98 R C 1.492 177.913 176.300 0.201 0.000 0.958 98 R CA 0.512 56.761 56.100 0.248 0.000 1.047 98 R CB -0.148 30.408 30.300 0.427 0.000 0.955 98 R HN 0.628 nan 8.270 nan 0.000 0.481 99 G N 0.303 109.142 108.800 0.064 0.000 2.163 99 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.213 99 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.213 99 G C -0.128 174.539 174.900 -0.388 0.000 0.991 99 G CA -0.649 44.294 45.100 -0.262 0.000 0.653 99 G HN 0.183 nan 8.290 nan 0.000 0.518 100 F N 2.389 122.383 119.950 0.073 0.000 2.404 100 F HA 0.441 4.968 4.527 -0.000 0.000 0.359 100 F C 1.891 177.703 175.800 0.019 0.000 1.134 100 F CA 0.655 58.717 58.000 0.102 0.000 1.160 100 F CB 1.420 40.520 39.000 0.168 0.000 1.186 100 F HN 0.106 nan 8.300 nan 0.000 0.526 101 T N -2.246 112.368 114.554 0.100 0.000 3.057 101 T HA 0.173 4.523 4.350 -0.000 0.000 0.254 101 T C 0.587 175.348 174.700 0.102 0.000 1.094 101 T CA 0.041 62.174 62.100 0.055 0.000 1.088 101 T CB 0.099 68.954 68.868 -0.022 0.000 0.934 101 T HN 0.308 nan 8.240 nan 0.000 0.497 102 S N 0.797 116.607 115.700 0.183 0.000 2.547 102 S HA 0.693 5.162 4.470 -0.000 0.000 0.281 102 S C -0.898 173.857 174.600 0.259 0.000 1.118 102 S CA -0.811 57.519 58.200 0.216 0.000 0.947 102 S CB 2.231 65.612 63.200 0.302 0.000 1.053 102 S HN 0.568 nan 8.310 nan 0.000 0.482 103 V N 0.961 121.009 119.914 0.223 0.000 2.735 103 V HA 0.701 4.820 4.120 -0.000 0.000 0.310 103 V C -0.526 175.713 176.094 0.242 0.000 1.061 103 V CA -1.162 61.248 62.300 0.185 0.000 0.913 103 V CB 1.725 33.598 31.823 0.083 0.000 1.005 103 V HN 0.856 nan 8.190 nan 0.000 0.428 104 R N 2.569 123.169 120.500 0.167 0.000 2.207 104 R HA 0.340 4.680 4.340 -0.000 0.000 0.334 104 R C -0.621 175.671 176.300 -0.014 0.000 1.013 104 R CA -0.347 55.826 56.100 0.122 0.000 0.858 104 R CB 0.772 31.089 30.300 0.028 0.000 1.094 104 R HN 1.028 nan 8.270 nan 0.000 0.457 105 D N 3.112 123.498 120.400 -0.024 0.000 2.225 105 D HA 0.156 4.796 4.640 -0.000 0.000 0.248 105 D C -0.580 175.594 176.300 -0.210 0.000 1.096 105 D CA -0.145 53.784 54.000 -0.119 0.000 0.863 105 D CB 1.680 42.451 40.800 -0.048 0.000 1.156 105 D HN 0.671 nan 8.370 nan 0.000 0.450 106 A N 2.925 125.481 122.820 -0.440 0.000 2.797 106 A HA 0.554 4.874 4.320 -0.000 0.000 0.287 106 A C 0.651 178.165 177.584 -0.117 0.000 1.369 106 A CA 0.238 51.985 52.037 -0.483 0.000 0.968 106 A CB -0.516 17.794 19.000 -1.149 0.000 1.069 106 A HN 0.784 nan 8.150 nan 0.000 0.571 107 G N -1.992 106.799 108.800 -0.015 0.000 3.233 107 G HA2 0.462 4.422 3.960 -0.000 0.000 0.686 107 G HA3 0.462 4.422 3.960 -0.000 0.000 0.686 107 G C 0.637 175.627 174.900 0.149 0.000 1.153 107 G CA 0.187 45.339 45.100 0.087 0.000 0.853 107 G HN 2.104 nan 8.290 nan 0.000 0.582 108 G N 0.442 109.280 108.800 0.062 0.000 3.151 108 G HA2 0.438 4.398 3.960 -0.000 0.000 0.197 108 G HA3 0.438 4.398 3.960 -0.000 0.000 0.197 108 G C 1.030 175.943 174.900 0.023 0.000 1.682 108 G CA 1.298 46.430 45.100 0.054 0.000 1.205 108 G HN 2.588 nan 8.290 nan 0.000 0.510 109 A N 1.356 124.189 122.820 0.021 0.000 2.340 109 A HA 0.630 4.950 4.320 -0.000 0.000 0.268 109 A C 0.198 177.789 177.584 0.013 0.000 1.100 109 A CA 0.948 52.990 52.037 0.009 0.000 0.803 109 A CB 0.379 19.378 19.000 -0.002 0.000 1.043 109 A HN 1.042 nan 8.150 nan 0.000 0.488 110 D N -0.348 120.069 120.400 0.027 0.000 2.687 110 D HA 0.153 4.793 4.640 -0.000 0.000 0.264 110 D C 0.594 176.962 176.300 0.112 0.000 1.091 110 D CA -0.798 53.246 54.000 0.073 0.000 1.123 110 D CB -0.162 40.693 40.800 0.091 0.000 1.407 110 D HN 0.548 nan 8.370 nan 0.000 0.591 111 W N 0.707 121.986 121.300 -0.035 0.000 2.350 111 W HA -0.164 4.496 4.660 -0.000 0.000 0.289 111 W C 1.805 178.303 176.519 -0.034 0.000 1.215 111 W CA 2.539 59.863 57.345 -0.036 0.000 1.236 111 W CB -0.141 29.302 29.460 -0.028 0.000 1.130 111 W HN 0.355 nan 8.180 nan 0.000 0.541 112 S N 0.644 116.422 115.700 0.130 0.000 2.383 112 S HA -0.226 4.244 4.470 -0.000 0.000 0.227 112 S C 1.910 176.405 174.600 -0.175 0.000 1.026 112 S CA 1.320 59.477 58.200 -0.072 0.000 0.981 112 S CB -0.890 62.367 63.200 0.096 0.000 0.818 112 S HN 0.389 nan 8.310 nan 0.000 0.472 113 L N 0.940 122.101 121.223 -0.103 0.000 2.027 113 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 113 L C 2.698 179.462 176.870 -0.176 0.000 1.074 113 L CA 1.473 56.246 54.840 -0.112 0.000 0.745 113 L CB -0.381 41.639 42.059 -0.064 0.000 0.898 113 L HN 0.385 nan 8.230 nan 0.000 0.433 114 M N -0.864 118.611 119.600 -0.209 0.000 2.103 114 M HA -0.332 4.148 4.480 -0.000 0.000 0.255 114 M C 2.238 178.329 176.300 -0.348 0.000 1.074 114 M CA 1.917 57.054 55.300 -0.272 0.000 1.090 114 M CB -0.105 32.319 32.600 -0.292 0.000 1.325 114 M HN 0.304 nan 8.290 nan 0.000 0.403 115 Q N -0.424 119.077 119.800 -0.498 0.000 2.123 115 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 115 Q C 2.165 177.982 176.000 -0.305 0.000 0.966 115 Q CA 1.614 57.108 55.803 -0.515 0.000 0.845 115 Q CB -0.558 27.699 28.738 -0.801 0.000 0.907 115 Q HN 0.701 nan 8.270 nan 0.000 0.439 116 A N 0.954 123.627 122.820 -0.246 0.000 1.940 116 A HA -0.161 4.158 4.320 -0.000 0.000 0.219 116 A C 2.264 179.768 177.584 -0.134 0.000 1.176 116 A CA 2.098 54.040 52.037 -0.159 0.000 0.631 116 A CB -0.772 18.154 19.000 -0.122 0.000 0.814 116 A HN 0.307 nan 8.150 nan 0.000 0.446 117 V N -2.871 116.957 119.914 -0.144 0.000 2.649 117 V HA -0.060 4.060 4.120 -0.000 0.000 0.248 117 V C 1.840 177.862 176.094 -0.120 0.000 1.054 117 V CA 2.053 64.283 62.300 -0.116 0.000 1.073 117 V CB -0.683 31.076 31.823 -0.107 0.000 0.699 117 V HN 0.549 nan 8.190 nan 0.000 0.463 118 E N 1.294 121.401 120.200 -0.155 0.000 2.152 118 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 118 E C 2.226 178.758 176.600 -0.114 0.000 0.983 118 E CA 1.724 58.039 56.400 -0.141 0.000 0.818 118 E CB -0.138 29.456 29.700 -0.176 0.000 0.758 118 E HN 0.887 nan 8.360 nan 0.000 0.467 119 T N -3.179 111.303 114.554 -0.121 0.000 3.148 119 T HA 0.171 4.521 4.350 -0.000 0.000 0.253 119 T C 1.454 176.110 174.700 -0.073 0.000 1.134 119 T CA 0.439 62.484 62.100 -0.091 0.000 1.051 119 T CB 0.463 69.273 68.868 -0.096 0.000 0.959 119 T HN 0.238 nan 8.240 nan 0.000 0.525 120 G N 0.958 109.712 108.800 -0.076 0.000 2.143 120 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 120 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 120 G C 0.501 175.368 174.900 -0.054 0.000 0.991 120 G CA 0.300 45.364 45.100 -0.060 0.000 0.689 120 G HN 0.489 nan 8.290 nan 0.000 0.522 121 L N -0.741 120.444 121.223 -0.063 0.000 2.275 121 L HA 0.412 4.751 4.340 -0.000 0.000 0.215 121 L C 1.207 178.046 176.870 -0.051 0.000 1.119 121 L CA 1.291 56.098 54.840 -0.055 0.000 0.790 121 L CB 0.254 42.276 42.059 -0.063 0.000 0.919 121 L HN 0.271 nan 8.230 nan 0.000 0.443 122 V N -1.899 117.980 119.914 -0.058 0.000 2.932 122 V HA 0.301 4.421 4.120 -0.000 0.000 0.307 122 V C -0.489 175.574 176.094 -0.050 0.000 1.147 122 V CA -0.832 61.437 62.300 -0.053 0.000 0.951 122 V CB 2.227 34.015 31.823 -0.059 0.000 1.031 122 V HN -0.043 nan 8.190 nan 0.000 0.426 123 S N 2.306 117.982 115.700 -0.041 0.000 2.513 123 S HA 0.844 5.314 4.470 -0.000 0.000 0.276 123 S C 0.146 174.727 174.600 -0.031 0.000 1.254 123 S CA 0.633 58.813 58.200 -0.034 0.000 1.053 123 S CB 0.627 63.812 63.200 -0.026 0.000 0.958 123 S HN 1.600 nan 8.310 nan 0.000 0.491 124 G N 4.563 113.347 108.800 -0.026 0.000 2.343 124 G HA2 0.312 4.272 3.960 -0.000 0.000 0.289 124 G HA3 0.312 4.272 3.960 -0.000 0.000 0.289 124 G C -3.593 171.301 174.900 -0.010 0.000 1.295 124 G CA -0.891 44.201 45.100 -0.013 0.000 0.869 124 G HN 0.518 nan 8.290 nan 0.000 0.522 125 P HA 0.345 nan 4.420 nan 0.000 0.272 125 P C -0.024 177.259 177.300 -0.028 0.000 1.230 125 P CA -0.455 62.660 63.100 0.025 0.000 0.788 125 P CB 0.481 32.227 31.700 0.078 0.000 0.949 126 R N 2.140 122.611 120.500 -0.048 0.000 2.585 126 R HA 0.166 4.506 4.340 -0.000 0.000 0.275 126 R C -0.510 175.695 176.300 -0.158 0.000 1.018 126 R CA 0.247 56.260 56.100 -0.145 0.000 1.072 126 R CB -0.407 29.785 30.300 -0.180 0.000 0.953 126 R HN 0.407 nan 8.270 nan 0.000 0.419 127 I N 4.599 125.019 120.570 -0.250 0.000 2.441 127 I HA 0.259 4.428 4.170 -0.000 0.000 0.295 127 I C -0.739 175.191 176.117 -0.310 0.000 0.994 127 I CA -0.754 60.447 61.300 -0.164 0.000 1.144 127 I CB 1.585 39.521 38.000 -0.107 0.000 1.314 127 I HN 0.545 nan 8.210 nan 0.000 0.445 128 F N 6.490 126.432 119.950 -0.013 0.000 2.359 128 F HA 0.358 4.884 4.527 -0.000 0.000 0.370 128 F C -2.214 173.571 175.800 -0.026 0.000 1.077 128 F CA -2.126 55.869 58.000 -0.008 0.000 1.136 128 F CB 0.941 39.945 39.000 0.007 0.000 1.387 128 F HN 0.173 nan 8.300 nan 0.000 0.468 129 P HA 0.182 nan 4.420 nan 0.000 0.284 129 P C 0.104 177.420 177.300 0.026 0.000 1.253 129 P CA -0.277 62.849 63.100 0.045 0.000 0.800 129 P CB 1.944 33.666 31.700 0.036 0.000 0.961 130 S N 1.004 116.696 115.700 -0.013 0.000 2.548 130 S HA 0.235 4.705 4.470 -0.000 0.000 0.215 130 S C 1.364 175.939 174.600 -0.041 0.000 0.976 130 S CA 0.605 58.779 58.200 -0.044 0.000 0.908 130 S CB -0.667 62.495 63.200 -0.063 0.000 0.781 130 S HN 0.879 nan 8.310 nan 0.000 0.519 131 G N 2.159 110.944 108.800 -0.026 0.000 2.595 131 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.297 131 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.297 131 G C -0.318 174.538 174.900 -0.074 0.000 1.181 131 G CA 0.162 45.232 45.100 -0.049 0.000 0.963 131 G HN 0.439 nan 8.290 nan 0.000 0.541 132 K N 1.063 121.393 120.400 -0.117 0.000 2.324 132 K HA 0.679 4.999 4.320 -0.000 0.000 0.253 132 K C 0.149 176.713 176.600 -0.060 0.000 0.932 132 K CA -0.142 56.074 56.287 -0.118 0.000 0.799 132 K CB 2.216 34.559 32.500 -0.261 0.000 1.154 132 K HN 0.953 nan 8.250 nan 0.000 0.425 133 A N 3.840 126.656 122.820 -0.006 0.000 2.488 133 A HA 0.188 4.508 4.320 -0.000 0.000 0.249 133 A C 0.161 177.767 177.584 0.037 0.000 1.083 133 A CA -0.216 51.841 52.037 0.033 0.000 0.768 133 A CB -0.116 18.927 19.000 0.071 0.000 1.017 133 A HN 0.644 nan 8.150 nan 0.000 0.496 134 L N 2.289 123.555 121.223 0.071 0.000 2.380 134 L HA 0.477 4.816 4.340 -0.000 0.000 0.273 134 L C 0.718 177.720 176.870 0.220 0.000 1.138 134 L CA 0.008 54.929 54.840 0.136 0.000 0.832 134 L CB 1.200 43.329 42.059 0.117 0.000 1.124 134 L HN 0.756 nan 8.230 nan 0.000 0.454 135 S N 2.011 117.828 115.700 0.194 0.000 2.543 135 S HA 0.351 4.821 4.470 -0.000 0.000 0.271 135 S C -0.739 173.799 174.600 -0.103 0.000 1.148 135 S CA -0.912 57.294 58.200 0.011 0.000 0.914 135 S CB 1.779 64.928 63.200 -0.085 0.000 1.096 135 S HN 0.652 nan 8.310 nan 0.000 0.471 136 Q N 2.213 121.697 119.800 -0.526 0.000 2.500 136 Q HA 0.475 4.815 4.340 -0.000 0.000 0.215 136 Q C -0.308 175.570 176.000 -0.203 0.000 1.062 136 Q CA -0.473 55.079 55.803 -0.419 0.000 0.996 136 Q CB -0.151 28.187 28.738 -0.666 0.000 1.239 136 Q HN 0.497 nan 8.270 nan 0.000 0.578 137 T N 0.716 115.200 114.554 -0.117 0.000 2.888 137 T HA 0.365 4.715 4.350 -0.000 0.000 0.301 137 T C 0.917 175.560 174.700 -0.094 0.000 1.001 137 T CA 0.766 62.819 62.100 -0.079 0.000 1.147 137 T CB 0.192 69.037 68.868 -0.037 0.000 0.931 137 T HN 0.963 nan 8.240 nan 0.000 0.541 138 G N 2.533 111.278 108.800 -0.092 0.000 2.153 138 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.252 138 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.252 138 G C 0.484 175.323 174.900 -0.101 0.000 0.994 138 G CA -0.045 45.006 45.100 -0.082 0.000 0.698 138 G HN 1.112 nan 8.290 nan 0.000 0.521 139 G N -1.916 106.797 108.800 -0.146 0.000 2.532 139 G HA2 0.473 4.432 3.960 -0.000 0.000 0.291 139 G HA3 0.473 4.432 3.960 -0.000 0.000 0.291 139 G C 0.567 175.379 174.900 -0.146 0.000 1.349 139 G CA 0.411 45.425 45.100 -0.143 0.000 1.038 139 G HN 0.477 nan 8.290 nan 0.000 0.518 140 H N -1.021 117.920 119.070 -0.216 0.000 2.521 140 H HA 0.039 4.594 4.556 -0.000 0.000 0.286 140 H C 2.183 177.247 175.328 -0.441 0.000 1.034 140 H CA 1.648 57.546 56.048 -0.251 0.000 1.278 140 H CB 0.012 29.639 29.762 -0.225 0.000 1.386 140 H HN 0.413 nan 8.280 nan 0.000 0.567 141 G N -1.155 107.338 108.800 -0.512 0.000 3.159 141 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.232 141 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.232 141 G C -0.284 174.127 174.900 -0.815 0.000 1.116 141 G CA -0.114 44.570 45.100 -0.692 0.000 0.767 141 G HN 0.267 nan 8.290 nan 0.000 0.547 142 D N 0.265 120.272 120.400 -0.655 0.000 2.313 142 D HA 0.298 4.938 4.640 -0.000 0.000 0.239 142 D C -0.238 175.749 176.300 -0.520 0.000 1.142 142 D CA -0.751 52.997 54.000 -0.420 0.000 0.847 142 D CB 0.741 41.410 40.800 -0.218 0.000 1.082 142 D HN 0.026 nan 8.370 nan 0.000 0.480 143 F N 2.181 122.112 119.950 -0.033 0.000 2.639 143 F HA 0.273 4.800 4.527 -0.000 0.000 0.302 143 F C 1.121 176.912 175.800 -0.015 0.000 1.097 143 F CA -0.464 57.517 58.000 -0.032 0.000 1.294 143 F CB 0.174 39.149 39.000 -0.042 0.000 1.027 143 F HN -0.009 nan 8.300 nan 0.000 0.550 144 R N 2.237 122.795 120.500 0.096 0.000 2.490 144 R HA 0.229 4.569 4.340 -0.000 0.000 0.280 144 R C -2.154 174.177 176.300 0.053 0.000 1.077 144 R CA -1.476 54.664 56.100 0.067 0.000 1.065 144 R CB -0.121 30.201 30.300 0.037 0.000 1.003 144 R HN -0.041 nan 8.270 nan 0.000 0.470 145 P HA 0.098 nan 4.420 nan 0.000 0.274 145 P C -0.509 176.806 177.300 0.025 0.000 1.256 145 P CA -0.561 62.563 63.100 0.040 0.000 0.795 145 P CB 0.677 32.399 31.700 0.036 0.000 1.038 151 E N 0.822 121.026 120.200 0.007 0.000 2.176 151 E HA 0.684 5.034 4.350 -0.000 0.000 0.267 151 E C -1.815 174.790 176.600 0.008 0.000 0.893 151 E CA -1.604 54.801 56.400 0.009 0.000 0.761 151 E CB 1.346 31.051 29.700 0.009 0.000 1.133 151 E HN 0.149 nan 8.360 nan 0.000 0.409 152 P HA 0.137 nan 4.420 nan 0.000 0.220 152 P C -0.406 176.897 177.300 0.005 0.000 1.154 152 P CA 0.000 63.104 63.100 0.006 0.000 0.837 152 P CB 0.309 32.013 31.700 0.006 0.000 0.815 153 C N 0.138 119.443 119.300 0.009 0.000 0.168 153 C HA 0.076 4.536 4.460 -0.000 0.000 0.017 153 C C 0.557 175.548 174.990 0.002 0.000 0.171 153 C CA -0.108 58.916 59.018 0.010 0.000 0.499 153 C CB -1.431 26.314 27.740 0.009 0.000 3.212 153 C HN 0.721 nan 8.230 nan 0.000 1.118 154 S N 2.128 117.828 115.700 0.001 0.000 2.786 154 S HA 0.878 5.348 4.470 -0.000 0.000 0.307 154 S C 0.498 175.066 174.600 -0.053 0.000 1.121 154 S CA 0.074 58.265 58.200 -0.015 0.000 0.975 154 S CB 1.625 64.828 63.200 0.005 0.000 1.220 154 S HN 2.271 nan 8.310 nan 0.000 0.550 155 C N -1.655 117.586 119.300 -0.099 0.000 3.981 155 C HA 0.597 5.057 4.460 -0.000 0.000 0.306 155 C C 0.014 174.816 174.990 -0.314 0.000 2.005 155 C CA -0.881 58.027 59.018 -0.184 0.000 1.655 155 C CB -1.349 26.313 27.740 -0.129 0.000 3.164 155 C HN 0.726 nan 8.230 nan 0.000 0.554 156 C N 1.291 120.436 119.300 -0.258 0.000 2.563 156 C HA 0.691 5.151 4.460 -0.000 0.000 0.314 156 C C -0.439 174.448 174.990 -0.172 0.000 1.199 156 C CA -0.283 58.566 59.018 -0.282 0.000 1.564 156 C CB 0.695 28.363 27.740 -0.121 0.000 2.173 156 C HN 0.589 nan 8.230 nan 0.000 0.485 157 F N 4.784 124.745 119.950 0.017 0.000 2.434 157 F HA 0.306 4.833 4.527 -0.000 0.000 0.358 157 F C 1.215 177.028 175.800 0.020 0.000 1.136 157 F CA -0.494 57.519 58.000 0.022 0.000 1.157 157 F CB 0.457 39.471 39.000 0.023 0.000 1.167 157 F HN 0.378 nan 8.300 nan 0.000 0.539 158 R N 1.306 121.938 120.500 0.220 0.000 2.537 158 R HA 0.056 4.396 4.340 -0.000 0.000 0.280 158 R C 1.134 177.499 176.300 0.109 0.000 1.058 158 R CA 0.084 56.259 56.100 0.124 0.000 1.057 158 R CB 0.188 30.543 30.300 0.091 0.000 0.973 158 R HN 0.648 nan 8.270 nan 0.000 0.438 159 T N -1.771 112.827 114.554 0.073 0.000 3.148 159 T HA 0.018 4.368 4.350 -0.000 0.000 0.253 159 T C 1.474 176.191 174.700 0.028 0.000 1.134 159 T CA 0.588 62.718 62.100 0.051 0.000 1.051 159 T CB 0.208 69.102 68.868 0.042 0.000 0.959 159 T HN 0.666 nan 8.240 nan 0.000 0.525 160 G N 0.559 109.373 108.800 0.022 0.000 3.088 160 G HA2 0.515 4.475 3.960 -0.000 0.000 0.217 160 G HA3 0.515 4.475 3.960 -0.000 0.000 0.217 160 G C 0.521 175.420 174.900 -0.002 0.000 1.159 160 G CA -0.061 45.039 45.100 0.001 0.000 0.760 160 G HN 0.750 nan 8.290 nan 0.000 0.550 161 A N 0.878 123.715 122.820 0.028 0.000 2.409 161 A HA 0.544 4.864 4.320 -0.000 0.000 0.267 161 A C 1.249 178.858 177.584 0.042 0.000 1.127 161 A CA -0.453 51.613 52.037 0.048 0.000 0.795 161 A CB 0.461 19.521 19.000 0.100 0.000 1.061 161 A HN 0.050 nan 8.150 nan 0.000 0.502 162 I N 1.460 122.066 120.570 0.060 0.000 2.286 162 I HA -0.039 4.131 4.170 -0.000 0.000 0.245 162 I C 1.562 177.722 176.117 0.072 0.000 1.104 162 I CA 1.755 63.095 61.300 0.066 0.000 1.397 162 I CB -1.454 36.562 38.000 0.026 0.000 1.072 162 I HN 0.666 nan 8.210 nan 0.000 0.417 163 A N 1.131 124.008 122.820 0.097 0.000 2.387 163 A HA 0.792 5.112 4.320 -0.000 0.000 0.298 163 A C -0.014 177.591 177.584 0.036 0.000 1.165 163 A CA -0.611 51.452 52.037 0.043 0.000 0.814 163 A CB 1.494 20.497 19.000 0.006 0.000 1.357 163 A HN 0.295 nan 8.150 nan 0.000 0.443 164 R N -0.687 119.827 120.500 0.024 0.000 2.837 164 R HA 0.729 5.069 4.340 -0.000 0.000 0.271 164 R C -1.865 174.489 176.300 0.089 0.000 0.993 164 R CA -0.758 55.399 56.100 0.094 0.000 0.931 164 R CB 1.509 31.869 30.300 0.100 0.000 1.206 164 R HN 0.286 nan 8.270 nan 0.000 0.474 165 V N 2.282 122.260 119.914 0.107 0.000 2.350 165 V HA 0.408 4.528 4.120 -0.000 0.000 0.276 165 V C -0.121 176.035 176.094 0.105 0.000 1.028 165 V CA -0.537 61.806 62.300 0.072 0.000 0.860 165 V CB 1.089 32.932 31.823 0.033 0.000 0.990 165 V HN 0.631 nan 8.190 nan 0.000 0.453 166 V N 1.468 121.463 119.914 0.135 0.000 2.760 166 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 166 V C -1.185 175.033 176.094 0.206 0.000 1.077 166 V CA -0.821 61.568 62.300 0.148 0.000 0.910 166 V CB 2.121 34.028 31.823 0.139 0.000 1.008 166 V HN 0.749 nan 8.190 nan 0.000 0.424 167 D N 1.853 122.343 120.400 0.151 0.000 2.527 167 D HA 0.852 5.492 4.640 -0.000 0.000 0.233 167 D C 0.193 176.565 176.300 0.119 0.000 1.063 167 D CA 0.576 54.678 54.000 0.170 0.000 0.880 167 D CB 1.837 42.697 40.800 0.100 0.000 1.457 167 D HN 1.498 nan 8.370 nan 0.000 0.475 168 G N -0.814 108.059 108.800 0.121 0.000 2.675 168 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 168 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 168 G C 0.590 175.510 174.900 0.033 0.000 1.215 168 G CA -0.498 44.642 45.100 0.067 0.000 0.777 168 G HN 0.414 nan 8.290 nan 0.000 0.638 169 V N 1.206 121.131 119.914 0.017 0.000 2.261 169 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 169 V C 2.706 178.794 176.094 -0.010 0.000 1.047 169 V CA 2.750 65.046 62.300 -0.007 0.000 1.015 169 V CB -0.468 31.354 31.823 -0.001 0.000 0.642 169 V HN 0.780 nan 8.190 nan 0.000 0.446 170 E N 0.575 120.776 120.200 0.002 0.000 2.150 170 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 170 E C 2.321 178.924 176.600 0.006 0.000 0.985 170 E CA 1.376 57.778 56.400 0.002 0.000 0.814 170 E CB -0.654 29.050 29.700 0.007 0.000 0.752 170 E HN 0.630 nan 8.360 nan 0.000 0.466 171 G N 1.499 110.308 108.800 0.016 0.000 2.402 171 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.216 171 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.216 171 G C 1.824 176.736 174.900 0.019 0.000 1.162 171 G CA 1.317 46.433 45.100 0.028 0.000 0.777 171 G HN 0.308 nan 8.290 nan 0.000 0.539 172 V N -1.632 118.278 119.914 -0.008 0.000 2.667 172 V HA 0.101 4.221 4.120 -0.000 0.000 0.252 172 V C 2.467 178.531 176.094 -0.049 0.000 1.065 172 V CA 1.562 63.830 62.300 -0.052 0.000 1.083 172 V CB -0.497 31.227 31.823 -0.165 0.000 0.692 172 V HN 0.230 nan 8.190 nan 0.000 0.468 173 R N -0.368 120.111 120.500 -0.035 0.000 2.062 173 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 173 R C 2.332 178.623 176.300 -0.016 0.000 1.136 173 R CA 1.889 57.972 56.100 -0.028 0.000 0.948 173 R CB -0.618 29.671 30.300 -0.020 0.000 0.845 173 R HN 0.519 nan 8.270 nan 0.000 0.430 174 L N 0.827 122.047 121.223 -0.003 0.000 2.042 174 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 174 L C 2.227 179.105 176.870 0.013 0.000 1.076 174 L CA 2.084 56.928 54.840 0.007 0.000 0.749 174 L CB -0.727 41.342 42.059 0.016 0.000 0.893 174 L HN 0.157 nan 8.230 nan 0.000 0.432 175 A N -1.521 121.308 122.820 0.016 0.000 1.933 175 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 175 A C 2.274 179.855 177.584 -0.004 0.000 1.175 175 A CA 1.859 53.910 52.037 0.024 0.000 0.628 175 A CB -0.972 18.047 19.000 0.032 0.000 0.814 175 A HN 0.302 nan 8.150 nan 0.000 0.444 176 V N -0.032 119.868 119.914 -0.023 0.000 2.270 176 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 176 V C 2.603 178.680 176.094 -0.029 0.000 1.043 176 V CA 2.204 64.482 62.300 -0.036 0.000 1.014 176 V CB -0.818 30.977 31.823 -0.046 0.000 0.645 176 V HN 0.538 nan 8.190 nan 0.000 0.447 177 R N -0.134 120.353 120.500 -0.021 0.000 2.119 177 R HA -0.251 4.089 4.340 -0.000 0.000 0.246 177 R C 2.290 178.580 176.300 -0.018 0.000 1.146 177 R CA 2.131 58.220 56.100 -0.019 0.000 0.962 177 R CB -0.384 29.909 30.300 -0.013 0.000 0.863 177 R HN 0.633 nan 8.270 nan 0.000 0.442 178 E N 0.038 120.235 120.200 -0.005 0.000 2.051 178 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 178 E C 2.031 178.621 176.600 -0.016 0.000 0.991 178 E CA 0.897 57.300 56.400 0.005 0.000 0.799 178 E CB 0.069 29.797 29.700 0.046 0.000 0.748 178 E HN 0.235 nan 8.360 nan 0.000 0.449 179 E N 0.513 120.696 120.200 -0.028 0.000 2.110 179 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 179 E C 2.103 178.676 176.600 -0.046 0.000 0.988 179 E CA 0.830 57.201 56.400 -0.048 0.000 0.804 179 E CB -0.135 29.529 29.700 -0.060 0.000 0.745 179 E HN 0.342 nan 8.360 nan 0.000 0.458 180 I N 0.924 121.468 120.570 -0.043 0.000 2.353 180 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 180 I C 2.679 178.760 176.117 -0.060 0.000 1.119 180 I CA 0.699 61.973 61.300 -0.043 0.000 1.417 180 I CB -0.129 37.849 38.000 -0.037 0.000 1.078 180 I HN 0.056 nan 8.210 nan 0.000 0.421 181 Q N 1.700 121.463 119.800 -0.063 0.000 2.061 181 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 181 Q C 1.927 177.841 176.000 -0.144 0.000 0.984 181 Q CA 1.749 57.499 55.803 -0.090 0.000 0.846 181 Q CB -0.036 28.663 28.738 -0.065 0.000 0.902 181 Q HN 0.487 nan 8.270 nan 0.000 0.421 182 K N -1.268 119.064 120.400 -0.114 0.000 2.504 182 K HA 0.017 4.336 4.320 -0.000 0.000 0.195 182 K C 0.927 177.427 176.600 -0.167 0.000 1.036 182 K CA 0.590 56.793 56.287 -0.140 0.000 0.984 182 K CB 0.159 32.627 32.500 -0.053 0.000 0.788 182 K HN 0.423 nan 8.250 nan 0.000 0.488 183 G N 0.901 109.629 108.800 -0.121 0.000 2.135 183 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.183 183 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.183 183 G C 0.151 175.105 174.900 0.089 0.000 1.004 183 G CA -0.240 44.832 45.100 -0.048 0.000 0.677 183 G HN 0.429 nan 8.290 nan 0.000 0.512 184 A N 0.072 122.913 122.820 0.034 0.000 2.555 184 A HA 0.552 4.871 4.320 -0.000 0.000 0.233 184 A C 1.715 179.321 177.584 0.036 0.000 1.060 184 A CA 1.777 53.830 52.037 0.026 0.000 0.759 184 A CB 0.215 19.201 19.000 -0.024 0.000 0.995 184 A HN 1.598 nan 8.150 nan 0.000 0.506 185 T N -1.277 113.307 114.554 0.051 0.000 3.040 185 T HA 0.222 4.572 4.350 -0.000 0.000 0.252 185 T C 0.579 175.249 174.700 -0.050 0.000 1.064 185 T CA 0.839 62.984 62.100 0.075 0.000 1.110 185 T CB -0.028 68.977 68.868 0.228 0.000 0.921 185 T HN 0.968 nan 8.240 nan 0.000 0.480 186 Q N 0.282 119.993 119.800 -0.148 0.000 2.626 186 Q HA 0.481 4.821 4.340 -0.000 0.000 0.300 186 Q C -1.932 173.907 176.000 -0.268 0.000 0.988 186 Q CA -1.138 54.434 55.803 -0.386 0.000 0.761 186 Q CB 1.137 29.360 28.738 -0.859 0.000 1.494 186 Q HN 0.170 nan 8.270 nan 0.000 0.439 187 I N 1.518 121.909 120.570 -0.299 0.000 2.339 187 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 187 I C -0.109 175.938 176.117 -0.116 0.000 0.994 187 I CA -0.566 60.637 61.300 -0.162 0.000 1.191 187 I CB 1.189 39.115 38.000 -0.125 0.000 1.343 187 I HN 0.685 nan 8.210 nan 0.000 0.458 188 K N 8.046 128.410 120.400 -0.061 0.000 2.156 188 K HA 0.733 5.053 4.320 -0.000 0.000 0.271 188 K C -0.782 175.848 176.600 0.050 0.000 0.995 188 K CA -0.395 55.893 56.287 0.001 0.000 0.890 188 K CB 1.267 33.770 32.500 0.004 0.000 1.073 188 K HN 0.654 nan 8.250 nan 0.000 0.454 189 I N -0.005 120.627 120.570 0.103 0.000 2.934 189 I HA 0.495 4.665 4.170 -0.000 0.000 0.306 189 I C -0.944 175.313 176.117 0.233 0.000 1.110 189 I CA -1.145 60.258 61.300 0.172 0.000 1.019 189 I CB 2.162 40.252 38.000 0.150 0.000 1.227 189 I HN 0.362 nan 8.210 nan 0.000 0.434 190 M N 4.078 123.836 119.600 0.264 0.000 2.080 190 M HA 0.430 4.910 4.480 -0.000 0.000 0.350 190 M C 0.285 176.736 176.300 0.250 0.000 1.173 190 M CA -0.321 55.126 55.300 0.245 0.000 1.052 190 M CB 0.897 33.577 32.600 0.133 0.000 1.577 190 M HN 0.906 nan 8.290 nan 0.000 0.455 191 A N 2.465 125.438 122.820 0.254 0.000 2.503 191 A HA 0.440 4.760 4.320 -0.000 0.000 0.263 191 A C 0.539 178.200 177.584 0.127 0.000 1.258 191 A CA 0.072 52.224 52.037 0.191 0.000 0.936 191 A CB 0.306 19.398 19.000 0.155 0.000 1.070 191 A HN 0.804 nan 8.150 nan 0.000 0.522 192 S N -1.679 114.113 115.700 0.152 0.000 2.578 192 S HA 0.534 5.004 4.470 -0.000 0.000 0.272 192 S C 0.216 174.901 174.600 0.141 0.000 1.145 192 S CA 0.081 58.348 58.200 0.111 0.000 0.835 192 S CB 0.255 63.487 63.200 0.055 0.000 1.104 192 S HN 1.251 nan 8.310 nan 0.000 0.458 193 G N 0.631 109.495 108.800 0.107 0.000 2.670 193 G HA2 0.460 4.419 3.960 -0.000 0.000 0.233 193 G HA3 0.460 4.419 3.960 -0.000 0.000 0.233 193 G C 0.565 175.551 174.900 0.144 0.000 1.251 193 G CA 0.246 45.408 45.100 0.104 0.000 0.849 193 G HN 1.284 nan 8.290 nan 0.000 0.588 194 G N -1.497 107.321 108.800 0.030 0.000 3.247 194 G HA2 0.476 4.435 3.960 -0.000 0.000 0.199 194 G HA3 0.476 4.435 3.960 -0.000 0.000 0.199 194 G C 0.261 175.260 174.900 0.165 0.000 1.172 194 G CA 0.445 45.519 45.100 -0.043 0.000 0.844 194 G HN 0.744 nan 8.290 nan 0.000 0.619 195 V N 0.044 120.146 119.914 0.314 0.000 2.996 195 V HA 0.286 4.406 4.120 -0.000 0.000 0.235 195 V C 2.585 178.842 176.094 0.271 0.000 1.205 195 V CA 1.313 63.754 62.300 0.234 0.000 1.225 195 V CB 0.369 32.318 31.823 0.210 0.000 0.995 195 V HN 0.761 nan 8.190 nan 0.000 0.484 196 A N 1.004 124.049 122.820 0.375 0.000 2.259 196 A HA 0.246 4.566 4.320 -0.000 0.000 0.208 196 A C 1.086 178.838 177.584 0.280 0.000 1.201 196 A CA 0.725 52.910 52.037 0.247 0.000 0.824 196 A CB -0.446 18.659 19.000 0.176 0.000 0.838 196 A HN 0.591 nan 8.150 nan 0.000 0.485 197 S N -1.116 114.739 115.700 0.257 0.000 2.578 197 S HA 0.584 5.054 4.470 -0.000 0.000 0.301 197 S C -1.933 172.752 174.600 0.141 0.000 1.091 197 S CA -1.329 56.971 58.200 0.167 0.000 1.032 197 S CB 1.997 65.171 63.200 -0.044 0.000 1.064 197 S HN 0.084 nan 8.310 nan 0.000 0.508 198 P HA -0.016 nan 4.420 nan 0.000 0.217 198 P C 1.317 178.648 177.300 0.052 0.000 1.154 198 P CA 1.515 64.665 63.100 0.084 0.000 0.841 198 P CB -0.320 31.431 31.700 0.085 0.000 0.788 199 T N -3.679 110.893 114.554 0.030 0.000 3.014 199 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 199 T C 0.486 175.195 174.700 0.016 0.000 1.060 199 T CA -0.249 61.861 62.100 0.016 0.000 1.040 199 T CB -0.610 68.258 68.868 -0.001 0.000 0.971 199 T HN 0.106 nan 8.240 nan 0.000 0.497 200 D N 3.076 123.493 120.400 0.029 0.000 2.373 200 D HA 0.320 4.960 4.640 -0.000 0.000 0.227 200 D C -2.849 173.477 176.300 0.043 0.000 1.091 200 D CA -2.127 51.892 54.000 0.032 0.000 0.840 200 D CB 1.599 42.423 40.800 0.039 0.000 1.060 200 D HN 0.147 nan 8.370 nan 0.000 0.502 201 P HA -0.016 nan 4.420 nan 0.000 0.268 201 P C 1.267 178.577 177.300 0.016 0.000 1.208 201 P CA -0.451 62.656 63.100 0.011 0.000 0.777 201 P CB 1.362 33.062 31.700 0.000 0.000 0.875 202 I N 0.842 121.405 120.570 -0.011 0.000 2.493 202 I HA -0.185 3.985 4.170 -0.000 0.000 0.254 202 I C 1.620 177.747 176.117 0.017 0.000 1.160 202 I CA 1.504 62.797 61.300 -0.012 0.000 1.445 202 I CB -0.302 37.595 38.000 -0.172 0.000 1.086 202 I HN 0.277 nan 8.210 nan 0.000 0.433 203 A N 1.813 124.629 122.820 -0.006 0.000 2.066 203 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 203 A C 0.973 178.568 177.584 0.018 0.000 1.157 203 A CA 0.827 52.864 52.037 0.000 0.000 0.670 203 A CB -0.904 18.087 19.000 -0.015 0.000 0.804 203 A HN 0.797 nan 8.150 nan 0.000 0.453 204 N N 0.023 118.738 118.700 0.024 0.000 2.492 204 N HA 0.355 5.095 4.740 -0.000 0.000 0.289 204 N C -0.219 175.311 175.510 0.033 0.000 1.133 204 N CA 0.089 53.154 53.050 0.023 0.000 0.961 204 N CB 0.887 39.382 38.487 0.014 0.000 1.186 204 N HN 0.126 nan 8.380 nan 0.000 0.493 205 T N -1.400 113.172 114.554 0.029 0.000 2.899 205 T HA 0.254 4.604 4.350 -0.000 0.000 0.284 205 T C -0.222 174.492 174.700 0.024 0.000 1.004 205 T CA -0.579 61.543 62.100 0.037 0.000 1.043 205 T CB 1.300 70.192 68.868 0.040 0.000 1.013 205 T HN 0.610 nan 8.240 nan 0.000 0.518 206 Q N 0.229 120.048 119.800 0.031 0.000 2.397 206 Q HA 0.516 4.856 4.340 -0.000 0.000 0.275 206 Q C -1.562 174.473 176.000 0.057 0.000 1.090 206 Q CA -0.972 54.811 55.803 -0.034 0.000 0.809 206 Q CB 2.307 30.982 28.738 -0.106 0.000 1.362 206 Q HN 0.838 nan 8.270 nan 0.000 0.431 207 Y N -0.627 119.691 120.300 0.030 0.000 2.540 207 Y HA -0.294 4.256 4.550 -0.000 0.000 0.022 207 Y C 0.272 176.184 175.900 0.021 0.000 1.737 207 Y CA 0.099 58.214 58.100 0.025 0.000 1.396 207 Y CB -0.382 38.094 38.460 0.027 0.000 2.043 207 Y HN 0.774 nan 8.280 nan 0.000 0.259 208 S N 1.704 117.538 115.700 0.223 0.000 2.600 208 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 208 S C 0.818 175.471 174.600 0.088 0.000 1.325 208 S CA -0.076 58.194 58.200 0.118 0.000 1.002 208 S CB 1.461 64.714 63.200 0.087 0.000 0.921 208 S HN 0.689 nan 8.310 nan 0.000 0.554 209 E N 0.595 120.829 120.200 0.056 0.000 2.150 209 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 209 E C 1.125 177.737 176.600 0.019 0.000 0.985 209 E CA 1.172 57.593 56.400 0.035 0.000 0.814 209 E CB -0.209 29.508 29.700 0.028 0.000 0.752 209 E HN 0.654 nan 8.360 nan 0.000 0.466 210 D N 1.099 121.511 120.400 0.021 0.000 2.123 210 D HA -0.166 4.474 4.640 -0.000 0.000 0.196 210 D C 1.776 178.070 176.300 -0.012 0.000 0.992 210 D CA 1.164 55.169 54.000 0.009 0.000 0.833 210 D CB -0.074 40.735 40.800 0.016 0.000 0.954 210 D HN 0.284 nan 8.370 nan 0.000 0.455 211 E N 0.089 120.281 120.200 -0.013 0.000 2.047 211 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 211 E C 2.435 178.940 176.600 -0.157 0.000 0.987 211 E CA 0.433 56.780 56.400 -0.088 0.000 0.799 211 E CB -0.015 29.631 29.700 -0.090 0.000 0.752 211 E HN 0.292 nan 8.360 nan 0.000 0.449 212 I N 0.883 121.383 120.570 -0.117 0.000 2.208 212 I HA -0.306 3.863 4.170 -0.000 0.000 0.245 212 I C 2.538 178.617 176.117 -0.064 0.000 1.097 212 I CA 1.229 62.468 61.300 -0.101 0.000 1.363 212 I CB -0.374 37.613 38.000 -0.021 0.000 1.051 212 I HN 0.038 nan 8.210 nan 0.000 0.413 213 R N 0.747 121.225 120.500 -0.036 0.000 2.096 213 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 213 R C 2.485 178.768 176.300 -0.028 0.000 1.127 213 R CA 1.473 57.560 56.100 -0.021 0.000 0.968 213 R CB -0.389 29.906 30.300 -0.007 0.000 0.861 213 R HN 0.408 nan 8.270 nan 0.000 0.440 214 A N 0.932 123.727 122.820 -0.043 0.000 1.930 214 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 214 A C 2.087 179.639 177.584 -0.055 0.000 1.175 214 A CA 1.116 53.127 52.037 -0.043 0.000 0.627 214 A CB -0.353 18.618 19.000 -0.048 0.000 0.815 214 A HN 0.177 nan 8.150 nan 0.000 0.443 215 I N -0.750 119.770 120.570 -0.084 0.000 2.202 215 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 215 I C 2.360 178.444 176.117 -0.056 0.000 1.091 215 I CA 0.964 62.208 61.300 -0.092 0.000 1.368 215 I CB -0.298 37.615 38.000 -0.146 0.000 1.058 215 I HN 0.140 nan 8.210 nan 0.000 0.410 216 V N 0.962 120.853 119.914 -0.039 0.000 2.332 216 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 216 V C 2.049 178.142 176.094 -0.002 0.000 1.055 216 V CA 2.103 64.398 62.300 -0.008 0.000 1.038 216 V CB -0.658 31.168 31.823 0.005 0.000 0.651 216 V HN 0.417 nan 8.190 nan 0.000 0.450 217 D N -0.536 119.859 120.400 -0.008 0.000 2.097 217 D HA -0.124 4.516 4.640 -0.000 0.000 0.197 217 D C 2.296 178.592 176.300 -0.007 0.000 0.984 217 D CA 0.955 54.953 54.000 -0.003 0.000 0.826 217 D CB -0.229 40.568 40.800 -0.005 0.000 0.973 217 D HN 0.368 nan 8.370 nan 0.000 0.460 218 E N 0.581 120.770 120.200 -0.018 0.000 2.150 218 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 218 E C 2.001 178.589 176.600 -0.020 0.000 0.985 218 E CA 0.609 56.997 56.400 -0.020 0.000 0.814 218 E CB -0.237 29.445 29.700 -0.029 0.000 0.752 218 E HN 0.210 nan 8.360 nan 0.000 0.466 219 A N 1.531 124.336 122.820 -0.024 0.000 1.845 219 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 219 A C 2.079 179.665 177.584 0.003 0.000 1.195 219 A CA 1.627 53.649 52.037 -0.024 0.000 0.616 219 A CB -0.590 18.390 19.000 -0.033 0.000 0.832 219 A HN 0.204 nan 8.150 nan 0.000 0.443 220 E N -0.404 119.808 120.200 0.019 0.000 2.160 220 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 220 E C 2.185 178.800 176.600 0.024 0.000 0.991 220 E CA 0.853 57.274 56.400 0.035 0.000 0.810 220 E CB -0.277 29.446 29.700 0.037 0.000 0.742 220 E HN 0.623 nan 8.360 nan 0.000 0.466 221 A N 1.059 123.886 122.820 0.012 0.000 2.019 221 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 221 A C 2.113 179.702 177.584 0.008 0.000 1.164 221 A CA 1.413 53.455 52.037 0.009 0.000 0.644 221 A CB -0.161 18.840 19.000 0.002 0.000 0.805 221 A HN 0.239 nan 8.150 nan 0.000 0.449 222 A N -0.528 122.296 122.820 0.006 0.000 2.415 222 A HA 0.312 4.632 4.320 -0.000 0.000 0.248 222 A C 0.447 178.044 177.584 0.021 0.000 1.299 222 A CA -0.058 51.983 52.037 0.007 0.000 0.899 222 A CB -0.479 18.517 19.000 -0.006 0.000 0.997 222 A HN 0.453 nan 8.150 nan 0.000 0.506 223 N N 0.388 119.107 118.700 0.031 0.000 2.705 223 N HA -0.144 4.596 4.740 -0.000 0.000 0.255 223 N C 0.071 175.624 175.510 0.071 0.000 1.008 223 N CA 1.609 54.689 53.050 0.050 0.000 0.742 223 N CB -1.316 37.198 38.487 0.046 0.000 0.906 223 N HN 0.671 nan 8.380 nan 0.000 0.541 224 T N -1.475 113.121 114.554 0.070 0.000 2.618 224 T HA 0.717 5.066 4.350 -0.000 0.000 0.286 224 T C -1.312 173.471 174.700 0.138 0.000 1.027 224 T CA -0.521 61.639 62.100 0.100 0.000 1.063 224 T CB 1.316 70.166 68.868 -0.029 0.000 1.440 224 T HN 0.237 nan 8.240 nan 0.000 0.505 225 Y N -1.426 118.874 120.300 -0.001 0.000 2.705 225 Y HA 0.864 5.414 4.550 -0.000 0.000 0.332 225 Y C -1.380 174.518 175.900 -0.003 0.000 1.157 225 Y CA -1.298 56.803 58.100 0.002 0.000 1.091 225 Y CB 0.743 39.205 38.460 0.004 0.000 1.301 225 Y HN 0.367 nan 8.280 nan 0.000 0.488 226 V N 3.783 123.755 119.914 0.097 0.000 2.459 226 V HA 0.402 4.522 4.120 -0.000 0.000 0.295 226 V C -0.033 176.148 176.094 0.145 0.000 1.029 226 V CA -0.880 61.426 62.300 0.010 0.000 0.874 226 V CB 1.476 33.313 31.823 0.024 0.000 0.985 226 V HN 0.823 nan 8.190 nan 0.000 0.438 227 M N 3.879 123.515 119.600 0.059 0.000 2.300 227 M HA 0.929 5.409 4.480 -0.000 0.000 0.348 227 M C -0.525 175.835 176.300 0.101 0.000 1.151 227 M CA -0.433 54.940 55.300 0.122 0.000 1.046 227 M CB 1.800 34.462 32.600 0.103 0.000 1.647 227 M HN 0.547 nan 8.290 nan 0.000 0.451 228 A N 1.842 124.730 122.820 0.113 0.000 2.343 228 A HA 0.518 4.837 4.320 -0.000 0.000 0.308 228 A C -1.406 176.264 177.584 0.144 0.000 1.092 228 A CA -0.647 51.467 52.037 0.129 0.000 0.751 228 A CB 0.626 19.684 19.000 0.096 0.000 1.203 228 A HN 1.022 nan 8.150 nan 0.000 0.452 229 H N 1.920 121.053 119.070 0.105 0.000 2.646 229 H HA 0.673 5.229 4.556 -0.000 0.000 0.325 229 H C -0.230 175.092 175.328 -0.011 0.000 1.075 229 H CA 0.614 56.725 56.048 0.105 0.000 1.421 229 H CB 0.841 30.733 29.762 0.217 0.000 1.461 229 H HN 1.051 nan 8.280 nan 0.000 0.525 230 A N 4.678 127.146 122.820 -0.587 0.000 2.560 230 A HA 0.276 4.596 4.320 -0.000 0.000 0.300 230 A C -1.580 175.748 177.584 -0.427 0.000 1.062 230 A CA -0.710 51.096 52.037 -0.384 0.000 0.767 230 A CB 0.029 18.968 19.000 -0.101 0.000 1.288 230 A HN 0.685 nan 8.150 nan 0.000 0.396 231 Y N 1.107 121.320 120.300 -0.144 0.000 2.439 231 Y HA 0.199 4.748 4.550 -0.000 0.000 0.281 231 Y C 2.139 178.007 175.900 -0.053 0.000 1.145 231 Y CA 1.439 59.477 58.100 -0.104 0.000 1.252 231 Y CB -0.271 38.106 38.460 -0.138 0.000 1.271 231 Y HN 0.782 nan 8.280 nan 0.000 0.516 232 T N -1.295 113.336 114.554 0.129 0.000 2.868 232 T HA 0.284 4.634 4.350 -0.000 0.000 0.292 232 T C 1.641 176.366 174.700 0.041 0.000 1.028 232 T CA -0.044 62.091 62.100 0.059 0.000 1.059 232 T CB 1.333 70.222 68.868 0.035 0.000 0.991 232 T HN 0.423 nan 8.240 nan 0.000 0.531 233 G N 0.377 109.190 108.800 0.021 0.000 2.450 233 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.220 233 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.220 233 G C 1.546 176.458 174.900 0.020 0.000 1.130 233 G CA 0.754 45.865 45.100 0.018 0.000 0.760 233 G HN 0.857 nan 8.290 nan 0.000 0.557 234 R N 0.428 120.938 120.500 0.018 0.000 2.066 234 R HA 0.083 4.423 4.340 -0.000 0.000 0.232 234 R C 2.817 179.131 176.300 0.023 0.000 1.131 234 R CA 1.427 57.538 56.100 0.018 0.000 0.955 234 R CB -0.356 29.954 30.300 0.015 0.000 0.851 234 R HN 0.268 nan 8.270 nan 0.000 0.432 235 A N 0.858 123.694 122.820 0.028 0.000 1.929 235 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 235 A C 2.114 179.714 177.584 0.026 0.000 1.176 235 A CA 1.005 53.060 52.037 0.031 0.000 0.628 235 A CB -0.355 18.666 19.000 0.035 0.000 0.816 235 A HN 0.338 nan 8.150 nan 0.000 0.444 236 I N -0.192 120.393 120.570 0.025 0.000 2.113 236 I HA -0.281 3.888 4.170 -0.000 0.000 0.238 236 I C 3.031 179.155 176.117 0.012 0.000 1.070 236 I CA 1.113 62.428 61.300 0.025 0.000 1.332 236 I CB -0.423 37.607 38.000 0.049 0.000 1.044 236 I HN 0.343 nan 8.210 nan 0.000 0.402 237 A N 1.743 124.571 122.820 0.013 0.000 1.903 237 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 237 A C 2.364 179.934 177.584 -0.024 0.000 1.191 237 A CA 2.489 54.524 52.037 -0.002 0.000 0.638 237 A CB -0.864 18.143 19.000 0.012 0.000 0.823 237 A HN 0.564 nan 8.150 nan 0.000 0.451 238 R N -0.719 119.778 120.500 -0.005 0.000 2.090 238 R HA 0.162 4.502 4.340 -0.000 0.000 0.228 238 R C 2.217 178.510 176.300 -0.012 0.000 1.110 238 R CA 1.311 57.409 56.100 -0.004 0.000 0.973 238 R CB -0.701 29.609 30.300 0.016 0.000 0.869 238 R HN 0.319 nan 8.270 nan 0.000 0.440 239 A N 1.581 124.400 122.820 -0.002 0.000 1.933 239 A HA -0.059 4.260 4.320 -0.000 0.000 0.218 239 A C 2.397 179.955 177.584 -0.044 0.000 1.175 239 A CA 1.565 53.602 52.037 -0.001 0.000 0.628 239 A CB -0.490 18.525 19.000 0.024 0.000 0.814 239 A HN 0.176 nan 8.150 nan 0.000 0.444 240 V N -0.254 119.607 119.914 -0.089 0.000 2.427 240 V HA -0.197 3.922 4.120 -0.000 0.000 0.248 240 V C 2.532 178.416 176.094 -0.349 0.000 1.051 240 V CA 1.980 64.160 62.300 -0.200 0.000 1.048 240 V CB -0.764 30.927 31.823 -0.221 0.000 0.666 240 V HN 0.499 nan 8.190 nan 0.000 0.456 241 R N -1.079 119.270 120.500 -0.252 0.000 2.189 241 R HA -0.095 4.245 4.340 -0.000 0.000 0.223 241 R C 2.096 178.350 176.300 -0.077 0.000 1.092 241 R CA 1.381 57.370 56.100 -0.186 0.000 0.989 241 R CB -0.418 29.842 30.300 -0.067 0.000 0.876 241 R HN 0.464 nan 8.270 nan 0.000 0.457 242 C N -0.875 118.390 119.300 -0.059 0.000 2.514 242 C HA 0.196 4.656 4.460 -0.000 0.000 0.271 242 C C 1.387 176.370 174.990 -0.013 0.000 1.399 242 C CA 0.681 59.687 59.018 -0.020 0.000 1.765 242 C CB -0.226 27.509 27.740 -0.009 0.000 1.893 242 C HN 0.777 nan 8.230 nan 0.000 0.531 243 G N 0.779 109.558 108.800 -0.035 0.000 2.173 243 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.174 243 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.174 243 G C 0.013 174.930 174.900 0.027 0.000 1.025 243 G CA 0.204 45.306 45.100 0.003 0.000 0.706 243 G HN 0.945 nan 8.290 nan 0.000 0.499 244 V N -1.614 118.310 119.914 0.017 0.000 2.775 244 V HA 0.760 4.880 4.120 -0.000 0.000 0.299 244 V C 1.346 177.490 176.094 0.084 0.000 1.062 244 V CA 0.434 62.771 62.300 0.062 0.000 1.063 244 V CB 1.627 33.484 31.823 0.056 0.000 0.994 244 V HN 0.419 nan 8.190 nan 0.000 0.483 245 R N 2.394 122.985 120.500 0.152 0.000 2.123 245 R HA 0.176 4.515 4.340 -0.000 0.000 0.209 245 R C 1.021 177.434 176.300 0.188 0.000 1.078 245 R CA 0.959 57.153 56.100 0.157 0.000 1.028 245 R CB 0.118 30.499 30.300 0.135 0.000 0.939 245 R HN 0.975 nan 8.270 nan 0.000 0.463 246 T N -1.179 113.483 114.554 0.181 0.000 2.918 246 T HA 0.517 4.867 4.350 -0.000 0.000 0.286 246 T C -0.227 174.530 174.700 0.094 0.000 1.026 246 T CA -0.849 61.335 62.100 0.141 0.000 1.031 246 T CB 1.715 70.628 68.868 0.074 0.000 1.046 246 T HN -0.057 nan 8.240 nan 0.000 0.479 247 I N 2.707 123.302 120.570 0.041 0.000 2.410 247 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 247 I C -0.137 175.941 176.117 -0.064 0.000 1.009 247 I CA -0.746 60.554 61.300 -0.001 0.000 1.111 247 I CB 1.852 39.845 38.000 -0.011 0.000 1.262 247 I HN 0.766 nan 8.210 nan 0.000 0.443 248 E N 6.419 126.566 120.200 -0.087 0.000 2.301 248 E HA 0.323 4.673 4.350 -0.000 0.000 0.275 248 E C 0.487 176.835 176.600 -0.419 0.000 1.030 248 E CA -0.269 55.956 56.400 -0.292 0.000 0.852 248 E CB 1.045 30.603 29.700 -0.237 0.000 1.060 248 E HN 0.531 nan 8.360 nan 0.000 0.401 249 H N 1.887 120.855 119.070 -0.169 0.000 1.919 249 H HA -0.291 4.264 4.556 -0.000 0.000 0.090 249 H C 1.135 176.453 175.328 -0.016 0.000 0.609 249 H CA 1.537 57.521 56.048 -0.108 0.000 1.845 249 H CB -1.464 28.129 29.762 -0.281 0.000 2.174 249 H HN 0.860 nan 8.280 nan 0.000 0.951 250 G N 1.708 110.552 108.800 0.073 0.000 2.160 250 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.251 250 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.251 250 G C 0.716 175.772 174.900 0.261 0.000 1.008 250 G CA 1.165 46.368 45.100 0.173 0.000 0.724 250 G HN 0.619 nan 8.290 nan 0.000 0.514 251 N N -0.263 118.595 118.700 0.264 0.000 2.272 251 N HA -0.012 4.728 4.740 -0.000 0.000 0.185 251 N C 1.579 177.114 175.510 0.042 0.000 1.014 251 N CA 1.244 54.379 53.050 0.142 0.000 0.870 251 N CB -0.097 38.418 38.487 0.047 0.000 0.975 251 N HN 0.582 nan 8.380 nan 0.000 0.433 252 L N 0.691 121.955 121.223 0.068 0.000 3.141 252 L HA 0.305 4.644 4.340 -0.000 0.000 0.263 252 L C -0.471 176.389 176.870 -0.018 0.000 1.312 252 L CA -0.506 54.330 54.840 -0.006 0.000 1.012 252 L CB 0.160 42.211 42.059 -0.013 0.000 1.408 252 L HN -0.111 nan 8.230 nan 0.000 0.559 253 V N -2.014 117.869 119.914 -0.052 0.000 2.843 253 V HA 0.134 4.254 4.120 -0.000 0.000 0.305 253 V C 0.169 176.196 176.094 -0.112 0.000 1.065 253 V CA -0.774 61.474 62.300 -0.087 0.000 1.116 253 V CB 0.337 32.026 31.823 -0.224 0.000 0.968 253 V HN 0.406 nan 8.190 nan 0.000 0.487 254 D N 2.340 122.696 120.400 -0.073 0.000 2.437 254 D HA 0.278 4.918 4.640 -0.000 0.000 0.259 254 D C 0.958 177.213 176.300 -0.075 0.000 1.118 254 D CA -0.457 53.500 54.000 -0.072 0.000 1.017 254 D CB 0.599 41.374 40.800 -0.042 0.000 1.120 254 D HN 0.633 nan 8.370 nan 0.000 0.541 255 E N -0.149 120.013 120.200 -0.063 0.000 2.358 255 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 255 E C 1.593 178.185 176.600 -0.014 0.000 1.010 255 E CA 0.699 57.069 56.400 -0.050 0.000 0.856 255 E CB -0.352 29.319 29.700 -0.049 0.000 0.795 255 E HN 0.480 nan 8.360 nan 0.000 0.504 256 A N 1.833 124.648 122.820 -0.007 0.000 1.929 256 A HA 0.150 4.470 4.320 -0.000 0.000 0.216 256 A C 2.463 180.066 177.584 0.031 0.000 1.176 256 A CA 1.657 53.702 52.037 0.013 0.000 0.628 256 A CB -0.489 18.516 19.000 0.009 0.000 0.816 256 A HN 0.375 nan 8.150 nan 0.000 0.444 257 A N -0.136 122.699 122.820 0.025 0.000 1.897 257 A HA 0.276 4.596 4.320 -0.000 0.000 0.215 257 A C 2.489 180.121 177.584 0.081 0.000 1.181 257 A CA 1.715 53.780 52.037 0.046 0.000 0.620 257 A CB -0.995 18.027 19.000 0.037 0.000 0.821 257 A HN 0.984 nan 8.150 nan 0.000 0.443 258 A N 0.048 122.909 122.820 0.067 0.000 1.908 258 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 258 A C 2.146 179.808 177.584 0.130 0.000 1.181 258 A CA 2.110 54.220 52.037 0.121 0.000 0.627 258 A CB -0.491 18.530 19.000 0.034 0.000 0.818 258 A HN 0.553 nan 8.150 nan 0.000 0.445 259 K N -0.835 119.619 120.400 0.090 0.000 2.026 259 K HA -0.150 4.169 4.320 -0.000 0.000 0.208 259 K C 1.953 178.645 176.600 0.154 0.000 1.048 259 K CA 1.579 57.933 56.287 0.111 0.000 0.929 259 K CB -0.322 32.219 32.500 0.068 0.000 0.713 259 K HN 0.326 nan 8.250 nan 0.000 0.439 260 L N 1.432 122.734 121.223 0.132 0.000 2.012 260 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 260 L C 2.399 179.401 176.870 0.219 0.000 1.073 260 L CA 1.715 56.660 54.840 0.176 0.000 0.748 260 L CB -0.367 41.778 42.059 0.143 0.000 0.891 260 L HN 0.305 nan 8.230 nan 0.000 0.431 261 M N -1.612 118.081 119.600 0.154 0.000 2.106 261 M HA -0.311 4.168 4.480 -0.000 0.000 0.259 261 M C 2.347 178.708 176.300 0.102 0.000 1.068 261 M CA 2.154 57.525 55.300 0.120 0.000 1.100 261 M CB -0.434 32.237 32.600 0.118 0.000 1.351 261 M HN 0.522 nan 8.290 nan 0.000 0.404 262 H N -0.154 118.939 119.070 0.038 0.000 2.319 262 H HA -0.158 4.398 4.556 -0.000 0.000 0.299 262 H C 1.789 177.107 175.328 -0.016 0.000 1.092 262 H CA 2.359 58.403 56.048 -0.007 0.000 1.302 262 H CB -0.086 29.678 29.762 0.003 0.000 1.373 262 H HN 0.430 nan 8.280 nan 0.000 0.497 263 E N -1.189 118.944 120.200 -0.111 0.000 2.077 263 E HA -0.187 4.162 4.350 -0.000 0.000 0.193 263 E C 1.774 178.231 176.600 -0.237 0.000 0.989 263 E CA 1.326 57.600 56.400 -0.209 0.000 0.800 263 E CB -0.013 29.635 29.700 -0.087 0.000 0.746 263 E HN 0.682 nan 8.360 nan 0.000 0.452 264 H N -1.669 117.329 119.070 -0.120 0.000 2.502 264 H HA 0.135 4.691 4.556 -0.000 0.000 0.283 264 H C 0.995 176.243 175.328 -0.134 0.000 1.015 264 H CA 0.987 56.977 56.048 -0.096 0.000 1.298 264 H CB 0.778 30.511 29.762 -0.049 0.000 1.411 264 H HN 0.296 nan 8.280 nan 0.000 0.556 265 G N -0.376 108.367 108.800 -0.095 0.000 2.164 265 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.212 265 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.212 265 G C -0.020 174.723 174.900 -0.262 0.000 1.031 265 G CA 0.029 45.000 45.100 -0.214 0.000 0.730 265 G HN 0.633 nan 8.290 nan 0.000 0.501 266 A N -0.120 122.600 122.820 -0.167 0.000 2.290 266 A HA 0.851 5.171 4.320 -0.000 0.000 0.310 266 A C 0.241 177.715 177.584 -0.183 0.000 1.202 266 A CA -0.554 51.421 52.037 -0.104 0.000 0.837 266 A CB 0.555 19.553 19.000 -0.002 0.000 1.139 266 A HN 0.569 nan 8.150 nan 0.000 0.509 267 F N 1.260 121.167 119.950 -0.073 0.000 2.399 267 F HA 0.481 5.007 4.527 -0.000 0.000 0.313 267 F C 0.591 176.300 175.800 -0.152 0.000 1.202 267 F CA -0.219 57.718 58.000 -0.104 0.000 1.192 267 F CB 0.851 39.783 39.000 -0.113 0.000 1.256 267 F HN 0.321 nan 8.300 nan 0.000 0.558 268 V N 0.449 120.347 119.914 -0.027 0.000 2.914 268 V HA 0.558 4.678 4.120 -0.000 0.000 0.314 268 V C -0.781 175.228 176.094 -0.142 0.000 1.084 268 V CA -0.924 61.249 62.300 -0.211 0.000 0.963 268 V CB 1.880 33.303 31.823 -0.665 0.000 1.025 268 V HN 0.457 nan 8.190 nan 0.000 0.432 269 V N 3.851 123.675 119.914 -0.150 0.000 2.380 269 V HA 0.339 4.459 4.120 -0.000 0.000 0.268 269 V C -2.583 173.399 176.094 -0.185 0.000 1.008 269 V CA -1.456 60.762 62.300 -0.135 0.000 0.823 269 V CB 1.292 33.063 31.823 -0.087 0.000 1.053 269 V HN 0.739 nan 8.190 nan 0.000 0.446 270 P HA 0.281 nan 4.420 nan 0.000 0.272 270 P C 0.287 177.523 177.300 -0.107 0.000 1.223 270 P CA 0.116 63.181 63.100 -0.058 0.000 0.784 270 P CB 0.540 32.246 31.700 0.010 0.000 0.923 271 T N -1.689 112.874 114.554 0.015 0.000 3.732 271 T HA 0.297 4.647 4.350 -0.000 0.000 0.234 271 T C 0.878 175.604 174.700 0.043 0.000 1.146 271 T CA -0.415 61.646 62.100 -0.065 0.000 1.454 271 T CB -1.097 67.709 68.868 -0.103 0.000 0.910 271 T HN 0.070 nan 8.240 nan 0.000 0.640 272 L N 0.215 121.484 121.223 0.078 0.000 2.141 272 L HA -0.007 4.333 4.340 -0.000 0.000 0.209 272 L C 2.727 179.667 176.870 0.117 0.000 1.094 272 L CA 0.720 55.688 54.840 0.214 0.000 0.763 272 L CB -0.528 41.597 42.059 0.109 0.000 0.908 272 L HN 0.430 nan 8.230 nan 0.000 0.437 273 V N -0.530 119.366 119.914 -0.030 0.000 2.392 273 V HA -0.326 3.794 4.120 -0.000 0.000 0.249 273 V C 2.542 178.589 176.094 -0.079 0.000 1.059 273 V CA 2.582 64.857 62.300 -0.041 0.000 1.051 273 V CB -0.138 31.664 31.823 -0.036 0.000 0.658 273 V HN 0.515 nan 8.190 nan 0.000 0.455 274 T N -1.237 113.197 114.554 -0.199 0.000 2.962 274 T HA -0.140 4.210 4.350 -0.000 0.000 0.270 274 T C 1.473 175.980 174.700 -0.321 0.000 1.088 274 T CA 1.830 63.759 62.100 -0.286 0.000 1.127 274 T CB -0.276 68.360 68.868 -0.386 0.000 0.883 274 T HN 0.740 nan 8.240 nan 0.000 0.493 275 Y N 1.107 121.410 120.300 0.004 0.000 2.365 275 Y HA 0.114 4.664 4.550 -0.000 0.000 0.293 275 Y C 2.367 178.239 175.900 -0.047 0.000 1.119 275 Y CA 0.396 58.488 58.100 -0.014 0.000 1.203 275 Y CB -0.361 38.089 38.460 -0.018 0.000 1.026 275 Y HN 0.201 nan 8.280 nan 0.000 0.549 276 D N 0.274 120.708 120.400 0.058 0.000 2.097 276 D HA -0.156 4.484 4.640 -0.000 0.000 0.195 276 D C 2.301 178.522 176.300 -0.133 0.000 0.989 276 D CA 1.522 55.495 54.000 -0.045 0.000 0.827 276 D CB -0.600 40.159 40.800 -0.069 0.000 0.966 276 D HN 0.303 nan 8.370 nan 0.000 0.456 277 A N 0.660 123.397 122.820 -0.137 0.000 1.902 277 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 277 A C 2.322 179.900 177.584 -0.009 0.000 1.181 277 A CA 0.957 52.928 52.037 -0.110 0.000 0.623 277 A CB -0.822 18.192 19.000 0.023 0.000 0.818 277 A HN 0.219 nan 8.150 nan 0.000 0.443 278 L N -0.917 120.312 121.223 0.010 0.000 2.291 278 L HA -0.116 4.223 4.340 -0.000 0.000 0.214 278 L C 2.968 179.831 176.870 -0.012 0.000 1.120 278 L CA 0.599 55.461 54.840 0.037 0.000 0.799 278 L CB -0.448 41.644 42.059 0.054 0.000 0.925 278 L HN 0.463 nan 8.230 nan 0.000 0.446 279 A N 0.268 123.058 122.820 -0.050 0.000 1.855 279 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 279 A C 2.296 179.778 177.584 -0.172 0.000 1.191 279 A CA 1.668 53.654 52.037 -0.085 0.000 0.613 279 A CB -0.245 18.709 19.000 -0.077 0.000 0.829 279 A HN 0.167 nan 8.150 nan 0.000 0.442 280 K N -0.590 119.616 120.400 -0.324 0.000 2.007 280 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 280 K C 0.755 177.013 176.600 -0.571 0.000 1.047 280 K CA 1.443 57.388 56.287 -0.570 0.000 0.937 280 K CB -0.050 31.856 32.500 -0.989 0.000 0.718 280 K HN 0.679 nan 8.250 nan 0.000 0.438 281 H N -1.531 117.488 119.070 -0.085 0.000 2.481 281 H HA 0.324 4.880 4.556 -0.000 0.000 0.273 281 H C 1.035 176.307 175.328 -0.092 0.000 1.145 281 H CA 0.143 56.072 56.048 -0.199 0.000 0.964 281 H CB 0.371 29.938 29.762 -0.324 0.000 1.722 281 H HN 0.239 nan 8.280 nan 0.000 0.573 282 G N 1.121 109.928 108.800 0.012 0.000 2.605 282 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.215 282 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.215 282 G C 1.687 176.623 174.900 0.059 0.000 1.279 282 G CA 0.895 46.030 45.100 0.058 0.000 0.831 282 G HN 0.427 nan 8.290 nan 0.000 0.560 283 A N 0.135 122.967 122.820 0.020 0.000 2.125 283 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 283 A C 2.088 179.678 177.584 0.010 0.000 1.156 283 A CA 1.912 53.961 52.037 0.020 0.000 0.671 283 A CB -0.351 18.652 19.000 0.005 0.000 0.794 283 A HN 0.556 nan 8.150 nan 0.000 0.459 284 E N -1.337 118.841 120.200 -0.038 0.000 2.158 284 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 284 E C 0.282 176.838 176.600 -0.074 0.000 0.982 284 E CA 0.718 57.046 56.400 -0.119 0.000 0.823 284 E CB -0.057 29.489 29.700 -0.257 0.000 0.766 284 E HN 0.537 nan 8.360 nan 0.000 0.468 285 F N -0.271 119.725 119.950 0.077 0.000 2.639 285 F HA 0.341 4.868 4.527 -0.000 0.000 0.300 285 F C 1.255 177.076 175.800 0.035 0.000 1.109 285 F CA 0.439 58.473 58.000 0.058 0.000 1.335 285 F CB 0.942 39.987 39.000 0.076 0.000 1.014 285 F HN 0.169 nan 8.300 nan 0.000 0.537 286 G N 0.579 109.493 108.800 0.189 0.000 2.144 286 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.218 286 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.218 286 G C 0.376 175.321 174.900 0.075 0.000 0.988 286 G CA -0.063 45.103 45.100 0.109 0.000 0.659 286 G HN 0.298 nan 8.290 nan 0.000 0.522 287 M N 2.300 121.953 119.600 0.087 0.000 2.146 287 M HA 0.433 4.913 4.480 -0.000 0.000 0.357 287 M C -1.757 174.574 176.300 0.051 0.000 1.261 287 M CA -1.884 53.453 55.300 0.062 0.000 1.106 287 M CB 0.723 33.369 32.600 0.077 0.000 1.612 287 M HN -0.031 nan 8.290 nan 0.000 0.470 288 P HA -0.020 nan 4.420 nan 0.000 0.263 288 P C -2.430 174.893 177.300 0.039 0.000 1.168 288 P CA -0.608 62.515 63.100 0.039 0.000 0.759 288 P CB -0.356 31.371 31.700 0.045 0.000 0.782 289 P HA -0.202 nan 4.420 nan 0.000 0.216 289 P C 1.282 178.596 177.300 0.023 0.000 1.150 289 P CA 1.610 64.724 63.100 0.023 0.000 0.843 289 P CB -0.104 31.607 31.700 0.017 0.000 0.787 290 E N -1.171 119.046 120.200 0.028 0.000 2.489 290 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 290 E C 1.291 177.913 176.600 0.036 0.000 1.057 290 E CA 0.622 57.038 56.400 0.027 0.000 0.866 290 E CB -0.546 29.170 29.700 0.026 0.000 0.916 290 E HN 0.111 nan 8.360 nan 0.000 0.500 291 S N 0.492 116.221 115.700 0.049 0.000 2.421 291 S HA -0.010 4.459 4.470 -0.000 0.000 0.224 291 S C 1.934 176.566 174.600 0.054 0.000 1.035 291 S CA 0.799 59.039 58.200 0.066 0.000 0.953 291 S CB 0.172 63.424 63.200 0.086 0.000 0.810 291 S HN 0.270 nan 8.310 nan 0.000 0.497 292 V N 1.636 121.575 119.914 0.042 0.000 3.041 292 V HA 0.086 4.205 4.120 -0.000 0.000 0.260 292 V C 2.330 178.431 176.094 0.012 0.000 1.105 292 V CA 1.061 63.379 62.300 0.030 0.000 1.125 292 V CB -1.360 30.477 31.823 0.023 0.000 0.730 292 V HN 0.439 nan 8.190 nan 0.000 0.479 293 A N 0.265 123.090 122.820 0.008 0.000 1.969 293 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 293 A C 2.295 179.869 177.584 -0.016 0.000 1.169 293 A CA 1.544 53.578 52.037 -0.005 0.000 0.635 293 A CB -0.337 18.661 19.000 -0.003 0.000 0.810 293 A HN 0.501 nan 8.150 nan 0.000 0.445 294 K N -0.839 119.556 120.400 -0.008 0.000 2.426 294 K HA 0.151 4.471 4.320 -0.000 0.000 0.193 294 K C 1.350 177.919 176.600 -0.052 0.000 1.028 294 K CA 0.383 56.651 56.287 -0.033 0.000 1.047 294 K CB 0.196 32.690 32.500 -0.011 0.000 0.821 294 K HN 0.265 nan 8.250 nan 0.000 0.513 295 V N 0.423 120.331 119.914 -0.011 0.000 3.235 295 V HA -0.008 4.112 4.120 -0.000 0.000 0.259 295 V C 1.846 177.920 176.094 -0.034 0.000 1.133 295 V CA 1.114 63.424 62.300 0.017 0.000 1.128 295 V CB 0.153 32.027 31.823 0.085 0.000 0.757 295 V HN 0.282 nan 8.190 nan 0.000 0.469 296 A N 0.507 123.297 122.820 -0.051 0.000 1.902 296 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 296 A C 2.535 180.058 177.584 -0.102 0.000 1.181 296 A CA 2.403 54.401 52.037 -0.064 0.000 0.623 296 A CB -0.737 18.230 19.000 -0.054 0.000 0.818 296 A HN 0.760 nan 8.150 nan 0.000 0.443 297 S N -0.129 115.492 115.700 -0.132 0.000 2.395 297 S HA -0.083 4.387 4.470 -0.000 0.000 0.225 297 S C 1.705 176.169 174.600 -0.227 0.000 1.027 297 S CA 1.304 59.408 58.200 -0.160 0.000 0.965 297 S CB -1.024 62.081 63.200 -0.158 0.000 0.812 297 S HN 0.763 nan 8.310 nan 0.000 0.482 298 V N 1.417 121.132 119.914 -0.331 0.000 2.871 298 V HA -0.060 4.060 4.120 -0.000 0.000 0.256 298 V C 2.553 178.355 176.094 -0.488 0.000 1.082 298 V CA 1.098 63.102 62.300 -0.492 0.000 1.105 298 V CB -1.572 29.773 31.823 -0.796 0.000 0.713 298 V HN 0.680 nan 8.190 nan 0.000 0.473 299 Q N 0.135 119.713 119.800 -0.371 0.000 2.311 299 Q HA -0.087 4.253 4.340 -0.000 0.000 0.203 299 Q C 2.038 177.952 176.000 -0.142 0.000 0.954 299 Q CA 0.864 56.525 55.803 -0.237 0.000 0.885 299 Q CB -0.423 28.266 28.738 -0.082 0.000 0.963 299 Q HN 0.581 nan 8.270 nan 0.000 0.471 300 Q N 1.949 121.667 119.800 -0.138 0.000 1.927 300 Q HA -0.161 4.179 4.340 -0.000 0.000 0.210 300 Q C 1.725 177.670 176.000 -0.092 0.000 1.001 300 Q CA 1.672 57.416 55.803 -0.099 0.000 0.862 300 Q CB -0.482 28.197 28.738 -0.098 0.000 0.934 300 Q HN 0.275 nan 8.270 nan 0.000 0.420 301 K N 0.646 120.982 120.400 -0.108 0.000 2.574 301 K HA -0.022 4.297 4.320 -0.000 0.000 0.193 301 K C 1.827 178.378 176.600 -0.082 0.000 1.035 301 K CA 0.655 56.887 56.287 -0.093 0.000 0.982 301 K CB -0.654 31.787 32.500 -0.099 0.000 0.795 301 K HN 0.424 nan 8.250 nan 0.000 0.491 302 G N 0.525 109.269 108.800 -0.094 0.000 2.480 302 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 302 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 302 G C 1.538 176.434 174.900 -0.006 0.000 1.200 302 G CA 0.667 45.731 45.100 -0.061 0.000 0.782 302 G HN 0.251 nan 8.290 nan 0.000 0.554 303 R N -0.030 120.464 120.500 -0.011 0.000 2.075 303 R HA 0.036 4.376 4.340 -0.000 0.000 0.232 303 R C 2.526 178.823 176.300 -0.004 0.000 1.126 303 R CA 1.226 57.329 56.100 0.005 0.000 0.963 303 R CB -0.280 30.020 30.300 0.000 0.000 0.858 303 R HN 0.510 nan 8.270 nan 0.000 0.435 304 E N 0.193 120.376 120.200 -0.028 0.000 2.118 304 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 304 E C 1.779 178.338 176.600 -0.068 0.000 0.992 304 E CA 1.699 58.072 56.400 -0.045 0.000 0.804 304 E CB 0.047 29.712 29.700 -0.058 0.000 0.741 304 E HN 0.377 nan 8.360 nan 0.000 0.458 305 S N 0.360 116.013 115.700 -0.079 0.000 2.370 305 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 305 S C 2.006 176.533 174.600 -0.121 0.000 1.033 305 S CA 0.957 59.053 58.200 -0.172 0.000 1.011 305 S CB -0.457 62.682 63.200 -0.102 0.000 0.852 305 S HN 0.170 nan 8.310 nan 0.000 0.457 306 L N 2.042 123.305 121.223 0.067 0.000 2.043 306 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 306 L C 2.777 179.703 176.870 0.092 0.000 1.075 306 L CA 1.918 56.854 54.840 0.159 0.000 0.752 306 L CB -1.178 40.944 42.059 0.106 0.000 0.891 306 L HN 0.421 nan 8.230 nan 0.000 0.432 307 E N -0.736 119.475 120.200 0.018 0.000 2.077 307 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 307 E C 2.301 178.881 176.600 -0.033 0.000 0.989 307 E CA 1.260 57.659 56.400 -0.003 0.000 0.800 307 E CB -0.137 29.552 29.700 -0.019 0.000 0.746 307 E HN 0.463 nan 8.360 nan 0.000 0.452 308 I N 0.227 120.732 120.570 -0.109 0.000 2.163 308 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 308 I C 2.047 178.087 176.117 -0.129 0.000 1.085 308 I CA 1.217 62.413 61.300 -0.173 0.000 1.347 308 I CB -0.481 37.334 38.000 -0.309 0.000 1.044 308 I HN 0.141 nan 8.210 nan 0.000 0.408 309 Y N 1.183 121.480 120.300 -0.006 0.000 2.097 309 Y HA -0.233 4.317 4.550 -0.000 0.000 0.282 309 Y C 2.800 178.693 175.900 -0.012 0.000 1.152 309 Y CA 1.130 59.229 58.100 -0.002 0.000 1.136 309 Y CB -1.298 37.168 38.460 0.010 0.000 0.975 309 Y HN 0.114 nan 8.280 nan 0.000 0.498 310 A N 0.528 123.442 122.820 0.157 0.000 1.927 310 A HA -0.279 4.040 4.320 -0.000 0.000 0.220 310 A C 2.168 179.764 177.584 0.019 0.000 1.185 310 A CA 2.229 54.309 52.037 0.072 0.000 0.639 310 A CB -0.847 18.186 19.000 0.056 0.000 0.820 310 A HN 0.491 nan 8.150 nan 0.000 0.451 311 N N 0.091 118.791 118.700 0.001 0.000 2.120 311 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 311 N C 1.714 177.185 175.510 -0.064 0.000 1.024 311 N CA 1.645 54.676 53.050 -0.032 0.000 0.852 311 N CB -0.544 37.920 38.487 -0.037 0.000 1.003 311 N HN 0.482 nan 8.380 nan 0.000 0.424 312 A N -0.262 122.526 122.820 -0.053 0.000 2.169 312 A HA 0.372 4.692 4.320 -0.000 0.000 0.212 312 A C 1.146 178.590 177.584 -0.233 0.000 1.153 312 A CA 0.822 52.797 52.037 -0.103 0.000 0.756 312 A CB -0.327 18.664 19.000 -0.016 0.000 0.813 312 A HN 0.334 nan 8.150 nan 0.000 0.471 313 G N -0.887 107.839 108.800 -0.124 0.000 2.370 313 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.268 313 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.268 313 G C -0.263 174.661 174.900 0.038 0.000 1.122 313 G CA -0.019 45.005 45.100 -0.127 0.000 0.963 313 G HN 0.813 nan 8.290 nan 0.000 0.500 314 V N 0.327 120.289 119.914 0.080 0.000 2.370 314 V HA 0.403 4.523 4.120 -0.000 0.000 0.283 314 V C 0.842 176.939 176.094 0.006 0.000 1.023 314 V CA -0.981 61.361 62.300 0.069 0.000 0.857 314 V CB 1.556 33.449 31.823 0.116 0.000 0.985 314 V HN 0.424 nan 8.190 nan 0.000 0.443 315 K N 4.821 125.190 120.400 -0.052 0.000 2.484 315 K HA 0.258 4.578 4.320 -0.000 0.000 0.280 315 K C -0.308 176.332 176.600 0.067 0.000 1.013 315 K CA 0.778 57.073 56.287 0.014 0.000 1.029 315 K CB 0.241 32.734 32.500 -0.011 0.000 0.902 315 K HN 0.579 nan 8.250 nan 0.000 0.481 316 M N 2.092 121.734 119.600 0.070 0.000 2.243 316 M HA 0.324 4.803 4.480 -0.000 0.000 0.324 316 M C 0.299 176.638 176.300 0.064 0.000 1.031 316 M CA -0.599 54.713 55.300 0.020 0.000 0.949 316 M CB 2.147 34.746 32.600 -0.002 0.000 1.615 316 M HN 0.733 nan 8.290 nan 0.000 0.430 317 G N 1.618 110.439 108.800 0.035 0.000 2.462 317 G HA2 0.574 4.534 3.960 -0.000 0.000 0.319 317 G HA3 0.574 4.534 3.960 -0.000 0.000 0.319 317 G C -1.569 173.369 174.900 0.063 0.000 1.171 317 G CA -0.491 44.640 45.100 0.051 0.000 0.920 317 G HN 0.612 nan 8.290 nan 0.000 0.499 318 F N 0.805 120.731 119.950 -0.040 0.000 2.427 318 F HA 0.573 5.100 4.527 -0.000 0.000 0.352 318 F C 0.578 176.343 175.800 -0.058 0.000 1.100 318 F CA 0.189 58.145 58.000 -0.073 0.000 1.191 318 F CB 1.120 40.069 39.000 -0.085 0.000 1.128 318 F HN 0.544 nan 8.300 nan 0.000 0.533 319 G N 3.000 111.537 108.800 -0.438 0.000 2.731 319 G HA2 0.397 4.357 3.960 -0.000 0.000 0.298 319 G HA3 0.397 4.357 3.960 -0.000 0.000 0.298 319 G C -0.532 174.127 174.900 -0.401 0.000 1.424 319 G CA -0.141 44.806 45.100 -0.255 0.000 1.029 319 G HN 0.775 nan 8.290 nan 0.000 0.518 320 S N 0.842 116.412 115.700 -0.217 0.000 2.438 320 S HA 0.160 4.630 4.470 -0.000 0.000 0.220 320 S C 0.894 175.424 174.600 -0.116 0.000 1.045 320 S CA 1.212 59.298 58.200 -0.189 0.000 0.940 320 S CB -0.061 63.072 63.200 -0.111 0.000 0.863 320 S HN 0.985 nan 8.310 nan 0.000 0.539 321 D N 0.475 120.871 120.400 -0.006 0.000 2.746 321 D HA -0.114 4.526 4.640 -0.000 0.000 0.236 321 D C -0.885 175.432 176.300 0.028 0.000 1.129 321 D CA 0.338 54.418 54.000 0.135 0.000 0.691 321 D CB -1.972 38.895 40.800 0.111 0.000 1.077 321 D HN 0.537 nan 8.370 nan 0.000 0.432 322 L N -0.024 121.124 121.223 -0.124 0.000 2.357 322 L HA 0.596 4.936 4.340 -0.000 0.000 0.273 322 L C 0.606 177.260 176.870 -0.361 0.000 1.080 322 L CA -0.844 53.856 54.840 -0.233 0.000 0.803 322 L CB 1.156 43.045 42.059 -0.284 0.000 1.174 322 L HN 0.032 nan 8.230 nan 0.000 0.443 323 L N 1.350 122.481 121.223 -0.154 0.000 2.354 323 L HA 0.778 5.118 4.340 -0.000 0.000 0.269 323 L C 0.775 177.679 176.870 0.056 0.000 1.005 323 L CA -0.604 54.227 54.840 -0.015 0.000 0.819 323 L CB 1.546 43.612 42.059 0.013 0.000 1.311 323 L HN 0.822 nan 8.230 nan 0.000 0.423 324 G N 1.610 110.498 108.800 0.148 0.000 2.566 324 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.280 324 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.280 324 G C 0.670 175.573 174.900 0.005 0.000 1.225 324 G CA 0.440 45.555 45.100 0.026 0.000 0.966 324 G HN 0.854 nan 8.290 nan 0.000 0.560 325 E N 0.304 120.343 120.200 -0.269 0.000 2.418 325 E HA 0.008 4.358 4.350 -0.000 0.000 0.197 325 E C 2.465 178.941 176.600 -0.207 0.000 1.026 325 E CA 1.186 57.392 56.400 -0.324 0.000 0.862 325 E CB -0.212 29.115 29.700 -0.623 0.000 0.799 325 E HN 0.667 nan 8.360 nan 0.000 0.518 326 M N 0.598 120.157 119.600 -0.068 0.000 2.700 326 M HA -0.034 4.446 4.480 -0.000 0.000 0.249 326 M C 1.213 177.566 176.300 0.088 0.000 1.082 326 M CA 0.642 56.051 55.300 0.181 0.000 1.077 326 M CB -0.452 32.349 32.600 0.336 0.000 1.477 326 M HN 0.120 nan 8.290 nan 0.000 0.529 327 H N -0.083 118.965 119.070 -0.036 0.000 2.456 327 H HA -0.041 4.515 4.556 -0.000 0.000 0.296 327 H C 2.111 177.402 175.328 -0.062 0.000 1.079 327 H CA 1.579 57.611 56.048 -0.027 0.000 1.322 327 H CB 0.153 29.885 29.762 -0.050 0.000 1.388 327 H HN 0.449 nan 8.280 nan 0.000 0.538 328 A N 0.155 122.914 122.820 -0.103 0.000 1.978 328 A HA -0.170 4.149 4.320 -0.000 0.000 0.220 328 A C 1.511 178.996 177.584 -0.166 0.000 1.170 328 A CA 1.151 53.056 52.037 -0.220 0.000 0.636 328 A CB -0.876 17.859 19.000 -0.442 0.000 0.810 328 A HN 0.437 nan 8.150 nan 0.000 0.448 329 F N 0.060 120.071 119.950 0.102 0.000 2.795 329 F HA 0.020 4.547 4.527 -0.000 0.000 0.303 329 F C 2.143 178.015 175.800 0.120 0.000 1.186 329 F CA 0.577 58.643 58.000 0.110 0.000 1.415 329 F CB -0.198 38.861 39.000 0.100 0.000 1.106 329 F HN 0.383 nan 8.300 nan 0.000 0.558 330 Q N 0.427 120.373 119.800 0.243 0.000 2.061 330 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 330 Q C 2.044 178.267 176.000 0.372 0.000 0.984 330 Q CA 2.122 58.056 55.803 0.217 0.000 0.846 330 Q CB -0.023 28.794 28.738 0.131 0.000 0.902 330 Q HN 0.335 nan 8.270 nan 0.000 0.421 331 S N -0.254 115.720 115.700 0.457 0.000 2.481 331 S HA -0.020 4.450 4.470 -0.000 0.000 0.231 331 S C 1.719 176.621 174.600 0.503 0.000 0.996 331 S CA 0.598 59.156 58.200 0.597 0.000 0.942 331 S CB -0.134 63.362 63.200 0.494 0.000 0.768 331 S HN 0.638 nan 8.310 nan 0.000 0.520 332 G N 1.760 110.774 108.800 0.357 0.000 2.485 332 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.221 332 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.221 332 G C 1.209 176.233 174.900 0.207 0.000 1.115 332 G CA 1.113 46.375 45.100 0.269 0.000 0.751 332 G HN 0.559 nan 8.290 nan 0.000 0.567 333 E N -0.098 120.193 120.200 0.152 0.000 2.204 333 E HA -0.088 4.261 4.350 -0.000 0.000 0.195 333 E C 1.876 178.510 176.600 0.056 0.000 0.990 333 E CA 0.593 56.962 56.400 -0.051 0.000 0.821 333 E CB -0.351 29.059 29.700 -0.482 0.000 0.750 333 E HN 0.435 nan 8.360 nan 0.000 0.477 334 F N 0.721 120.863 119.950 0.320 0.000 2.069 334 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 334 F C 2.471 178.340 175.800 0.116 0.000 1.113 334 F CA 1.495 59.635 58.000 0.233 0.000 1.214 334 F CB -0.444 38.625 39.000 0.115 0.000 0.978 334 F HN -0.005 nan 8.300 nan 0.000 0.474 335 R N 0.286 120.963 120.500 0.295 0.000 2.094 335 R HA -0.205 4.135 4.340 -0.000 0.000 0.239 335 R C 2.280 178.654 176.300 0.123 0.000 1.137 335 R CA 2.055 58.258 56.100 0.171 0.000 0.943 335 R CB -1.056 29.328 30.300 0.139 0.000 0.850 335 R HN 0.324 nan 8.270 nan 0.000 0.433 336 I N 0.199 120.830 120.570 0.102 0.000 2.286 336 I HA -0.286 3.884 4.170 -0.000 0.000 0.248 336 I C 2.518 178.670 176.117 0.059 0.000 1.115 336 I CA 1.399 62.736 61.300 0.061 0.000 1.392 336 I CB -0.206 37.815 38.000 0.035 0.000 1.065 336 I HN 0.159 nan 8.210 nan 0.000 0.418 337 R N 0.488 121.032 120.500 0.073 0.000 2.093 337 R HA 0.024 4.364 4.340 -0.000 0.000 0.224 337 R C 2.443 178.800 176.300 0.094 0.000 1.101 337 R CA 1.160 57.305 56.100 0.076 0.000 0.979 337 R CB -0.346 30.000 30.300 0.077 0.000 0.877 337 R HN 0.309 nan 8.270 nan 0.000 0.441 338 A N 1.395 124.287 122.820 0.120 0.000 2.015 338 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 338 A C 1.742 179.368 177.584 0.071 0.000 1.163 338 A CA 1.222 53.320 52.037 0.102 0.000 0.646 338 A CB -0.226 18.842 19.000 0.112 0.000 0.806 338 A HN 0.301 nan 8.150 nan 0.000 0.448 339 E N -0.652 119.587 120.200 0.065 0.000 2.268 339 E HA -0.063 4.287 4.350 -0.000 0.000 0.195 339 E C 1.680 178.303 176.600 0.039 0.000 0.995 339 E CA 1.092 57.521 56.400 0.047 0.000 0.836 339 E CB -0.009 29.716 29.700 0.043 0.000 0.763 339 E HN 0.477 nan 8.360 nan 0.000 0.491 340 V N 0.519 120.459 119.914 0.044 0.000 2.521 340 V HA 0.042 4.162 4.120 -0.000 0.000 0.239 340 V C 0.892 177.009 176.094 0.039 0.000 1.053 340 V CA 0.616 62.938 62.300 0.037 0.000 1.073 340 V CB 0.034 31.879 31.823 0.037 0.000 0.746 340 V HN 0.047 nan 8.190 nan 0.000 0.476 341 L N -0.446 120.807 121.223 0.050 0.000 2.331 341 L HA 0.761 5.101 4.340 -0.000 0.000 0.268 341 L C 0.855 177.757 176.870 0.053 0.000 1.015 341 L CA -0.453 54.417 54.840 0.050 0.000 0.807 341 L CB 0.237 42.332 42.059 0.060 0.000 1.293 341 L HN 0.170 nan 8.230 nan 0.000 0.451 342 G N -0.025 108.803 108.800 0.047 0.000 2.690 342 G HA2 0.001 3.961 3.960 -0.000 0.000 0.239 342 G HA3 0.001 3.961 3.960 -0.000 0.000 0.239 342 G C 0.627 175.562 174.900 0.058 0.000 1.233 342 G CA -0.337 44.790 45.100 0.045 0.000 0.847 342 G HN 0.870 nan 8.290 nan 0.000 0.588 343 N N 0.723 119.454 118.700 0.052 0.000 2.550 343 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 343 N C 1.838 177.379 175.510 0.052 0.000 1.110 343 N CA 0.198 53.283 53.050 0.059 0.000 0.912 343 N CB -0.104 38.406 38.487 0.039 0.000 0.968 343 N HN 0.433 nan 8.380 nan 0.000 0.448 344 L N 0.436 121.686 121.223 0.044 0.000 1.961 344 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 344 L C 2.227 179.138 176.870 0.067 0.000 1.072 344 L CA 1.801 56.667 54.840 0.044 0.000 0.749 344 L CB -0.279 41.801 42.059 0.035 0.000 0.889 344 L HN 0.059 nan 8.230 nan 0.000 0.432 345 E N 0.106 120.349 120.200 0.071 0.000 2.114 345 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 345 E C 2.019 178.692 176.600 0.122 0.000 1.008 345 E CA 1.733 58.185 56.400 0.086 0.000 0.810 345 E CB -0.323 29.422 29.700 0.076 0.000 0.739 345 E HN 0.558 nan 8.360 nan 0.000 0.456 346 A N -0.042 122.865 122.820 0.145 0.000 1.908 346 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 346 A C 2.265 180.034 177.584 0.308 0.000 1.181 346 A CA 1.547 53.723 52.037 0.232 0.000 0.627 346 A CB -0.631 18.525 19.000 0.260 0.000 0.818 346 A HN 0.301 nan 8.150 nan 0.000 0.445 347 L N -1.646 119.699 121.223 0.204 0.000 2.179 347 L HA -0.040 4.299 4.340 -0.000 0.000 0.208 347 L C 2.764 179.725 176.870 0.150 0.000 1.096 347 L CA 0.618 55.558 54.840 0.165 0.000 0.779 347 L CB -0.402 41.678 42.059 0.036 0.000 0.922 347 L HN 0.310 nan 8.230 nan 0.000 0.443 348 R N 0.102 120.677 120.500 0.125 0.000 2.096 348 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 348 R C 2.623 178.997 176.300 0.124 0.000 1.127 348 R CA 1.657 57.822 56.100 0.108 0.000 0.968 348 R CB -0.342 30.011 30.300 0.089 0.000 0.861 348 R HN 0.466 nan 8.270 nan 0.000 0.440 349 S N 0.158 115.950 115.700 0.152 0.000 2.399 349 S HA -0.088 4.382 4.470 -0.000 0.000 0.231 349 S C 1.815 176.525 174.600 0.183 0.000 1.022 349 S CA 1.184 59.483 58.200 0.165 0.000 0.983 349 S CB 0.093 63.406 63.200 0.188 0.000 0.803 349 S HN 0.330 nan 8.310 nan 0.000 0.480 350 A N 0.594 123.510 122.820 0.161 0.000 2.348 350 A HA 0.438 4.758 4.320 -0.000 0.000 0.224 350 A C 1.744 179.410 177.584 0.137 0.000 1.227 350 A CA 0.644 52.733 52.037 0.086 0.000 0.885 350 A CB -0.186 18.681 19.000 -0.221 0.000 0.933 350 A HN 0.733 nan 8.150 nan 0.000 0.506 351 T N -4.609 110.023 114.554 0.129 0.000 3.413 351 T HA 0.014 4.363 4.350 -0.000 0.000 0.187 351 T C 1.900 176.646 174.700 0.076 0.000 0.961 351 T CA 1.254 63.422 62.100 0.114 0.000 1.085 351 T CB -0.844 68.094 68.868 0.117 0.000 1.345 351 T HN 0.229 nan 8.240 nan 0.000 0.326 352 T N 1.575 116.172 114.554 0.072 0.000 2.770 352 T HA -0.000 4.350 4.350 -0.000 0.000 0.263 352 T C 2.100 176.833 174.700 0.055 0.000 1.039 352 T CA 1.432 63.566 62.100 0.057 0.000 1.142 352 T CB -1.170 67.732 68.868 0.056 0.000 0.868 352 T HN 0.218 nan 8.240 nan 0.000 0.435 353 V N 2.679 122.638 119.914 0.074 0.000 2.295 353 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 353 V C 3.295 179.387 176.094 -0.003 0.000 1.049 353 V CA 1.548 63.899 62.300 0.085 0.000 1.024 353 V CB -1.644 30.254 31.823 0.125 0.000 0.648 353 V HN 0.657 nan 8.190 nan 0.000 0.447 354 A N 0.451 123.277 122.820 0.009 0.000 1.892 354 A HA -0.212 4.107 4.320 -0.000 0.000 0.218 354 A C 2.440 179.960 177.584 -0.108 0.000 1.188 354 A CA 2.565 54.580 52.037 -0.037 0.000 0.631 354 A CB -0.984 18.047 19.000 0.052 0.000 0.822 354 A HN 0.629 nan 8.150 nan 0.000 0.447 355 A N -0.762 122.025 122.820 -0.055 0.000 1.972 355 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 355 A C 2.016 179.522 177.584 -0.129 0.000 1.169 355 A CA 1.813 53.806 52.037 -0.074 0.000 0.635 355 A CB -0.501 18.493 19.000 -0.010 0.000 0.810 355 A HN 0.708 nan 8.150 nan 0.000 0.446 356 E N -0.207 119.923 120.200 -0.118 0.000 2.106 356 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 356 E C 1.823 178.192 176.600 -0.385 0.000 0.984 356 E CA 1.046 57.364 56.400 -0.137 0.000 0.806 356 E CB -0.207 29.505 29.700 0.020 0.000 0.750 356 E HN 0.668 nan 8.360 nan 0.000 0.458 357 I N 0.867 121.076 120.570 -0.601 0.000 2.163 357 I HA -0.238 3.932 4.170 -0.000 0.000 0.243 357 I C 2.225 177.978 176.117 -0.606 0.000 1.085 357 I CA 1.235 62.007 61.300 -0.880 0.000 1.347 357 I CB -0.113 37.460 38.000 -0.712 0.000 1.044 357 I HN 0.167 nan 8.210 nan 0.000 0.408 358 V N -1.739 117.913 119.914 -0.438 0.000 3.620 358 V HA 0.186 4.306 4.120 -0.000 0.000 0.286 358 V C 0.591 176.496 176.094 -0.316 0.000 1.288 358 V CA -0.026 61.996 62.300 -0.463 0.000 1.178 358 V CB -1.086 30.202 31.823 -0.890 0.000 0.986 358 V HN 0.592 nan 8.190 nan 0.000 0.431 359 N N 0.655 119.212 118.700 -0.237 0.000 2.747 359 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 359 N C 0.363 175.843 175.510 -0.050 0.000 1.107 359 N CA 1.353 54.336 53.050 -0.112 0.000 0.707 359 N CB -0.873 37.588 38.487 -0.042 0.000 1.054 359 N HN 0.525 nan 8.380 nan 0.000 0.555 360 M N -0.285 119.277 119.600 -0.063 0.000 2.685 360 M HA 0.116 4.596 4.480 -0.000 0.000 0.355 360 M C 0.350 176.652 176.300 0.004 0.000 1.197 360 M CA -0.134 55.168 55.300 0.002 0.000 0.947 360 M CB 0.246 32.870 32.600 0.040 0.000 1.346 360 M HN -0.043 nan 8.290 nan 0.000 0.516 361 Q N 1.383 121.178 119.800 -0.008 0.000 3.042 361 Q HA -0.034 4.306 4.340 -0.000 0.000 0.358 361 Q C 1.270 177.280 176.000 0.018 0.000 1.064 361 Q CA 1.621 57.428 55.803 0.007 0.000 1.188 361 Q CB -0.163 28.581 28.738 0.010 0.000 0.967 361 Q HN 0.878 nan 8.270 nan 0.000 0.414 362 G N 3.225 112.037 108.800 0.021 0.000 2.205 362 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 362 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 362 G C 0.809 175.724 174.900 0.026 0.000 0.980 362 G CA 0.630 45.744 45.100 0.023 0.000 0.632 362 G HN 0.526 nan 8.290 nan 0.000 0.533 363 Q N -0.502 119.317 119.800 0.031 0.000 2.287 363 Q HA 0.550 4.889 4.340 -0.000 0.000 0.201 363 Q C 1.446 177.471 176.000 0.042 0.000 0.946 363 Q CA 0.967 56.793 55.803 0.039 0.000 0.868 363 Q CB 0.161 28.931 28.738 0.054 0.000 0.967 363 Q HN 0.630 nan 8.270 nan 0.000 0.516 364 L N -2.266 118.985 121.223 0.047 0.000 2.271 364 L HA 0.588 4.928 4.340 -0.000 0.000 0.265 364 L C 0.712 177.605 176.870 0.038 0.000 1.013 364 L CA -0.512 54.358 54.840 0.050 0.000 0.820 364 L CB 1.633 43.740 42.059 0.080 0.000 1.352 364 L HN 0.392 nan 8.230 nan 0.000 0.443 365 G N 0.474 109.298 108.800 0.040 0.000 2.168 365 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.257 365 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.257 365 G C -0.448 174.474 174.900 0.037 0.000 0.997 365 G CA 0.429 45.556 45.100 0.045 0.000 0.708 365 G HN 0.458 nan 8.290 nan 0.000 0.520 366 V N 0.524 120.453 119.914 0.025 0.000 2.817 366 V HA 0.569 4.688 4.120 -0.000 0.000 0.303 366 V C -0.235 175.866 176.094 0.011 0.000 1.151 366 V CA -1.096 61.216 62.300 0.020 0.000 0.929 366 V CB 1.673 33.509 31.823 0.021 0.000 1.030 366 V HN 0.305 nan 8.190 nan 0.000 0.427 367 I N 6.710 127.283 120.570 0.005 0.000 2.278 367 I HA 0.663 4.833 4.170 -0.000 0.000 0.296 367 I C 0.443 176.565 176.117 0.009 0.000 1.121 367 I CA 0.372 61.673 61.300 0.002 0.000 1.267 367 I CB 0.615 38.612 38.000 -0.005 0.000 1.447 367 I HN 0.768 nan 8.210 nan 0.000 0.509 368 A N 5.330 128.158 122.820 0.013 0.000 2.593 368 A HA 0.704 5.023 4.320 -0.000 0.000 0.290 368 A C -0.859 176.736 177.584 0.018 0.000 1.126 368 A CA -0.555 51.493 52.037 0.017 0.000 0.695 368 A CB 1.375 20.386 19.000 0.017 0.000 1.290 368 A HN 0.189 nan 8.150 nan 0.000 0.414 369 V N 1.191 121.116 119.914 0.020 0.000 2.479 369 V HA 0.483 4.603 4.120 -0.000 0.000 0.281 369 V C 1.425 177.528 176.094 0.015 0.000 1.031 369 V CA 1.716 64.026 62.300 0.018 0.000 1.038 369 V CB 0.150 31.985 31.823 0.018 0.000 0.981 369 V HN 2.252 nan 8.190 nan 0.000 0.478 370 G N 3.720 112.528 108.800 0.013 0.000 2.195 370 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.224 370 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.224 370 G C 0.366 175.275 174.900 0.014 0.000 0.990 370 G CA 0.151 45.259 45.100 0.013 0.000 0.639 370 G HN 1.331 nan 8.290 nan 0.000 0.514 371 A N -0.020 122.808 122.820 0.014 0.000 2.257 371 A HA 0.796 5.115 4.320 -0.000 0.000 0.289 371 A C 0.555 178.147 177.584 0.013 0.000 1.095 371 A CA -0.338 51.709 52.037 0.016 0.000 0.836 371 A CB 0.415 19.425 19.000 0.016 0.000 1.111 371 A HN 0.738 nan 8.150 nan 0.000 0.497 372 I N 0.796 121.375 120.570 0.016 0.000 2.474 372 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 372 I C 1.039 177.156 176.117 0.001 0.000 1.048 372 I CA -0.059 61.247 61.300 0.011 0.000 1.383 372 I CB 1.383 39.395 38.000 0.020 0.000 1.412 372 I HN 0.657 nan 8.210 nan 0.000 0.531 373 A N 5.011 127.827 122.820 -0.007 0.000 3.030 373 A HA 0.115 4.435 4.320 -0.000 0.000 0.273 373 A C -0.410 177.158 177.584 -0.027 0.000 1.841 373 A CA -0.147 51.880 52.037 -0.017 0.000 1.479 373 A CB -0.982 18.006 19.000 -0.020 0.000 1.048 373 A HN 0.608 nan 8.150 nan 0.000 0.612 374 D N 1.471 121.854 120.400 -0.028 0.000 2.485 374 D HA 0.470 5.110 4.640 -0.000 0.000 0.229 374 D C -0.540 175.713 176.300 -0.079 0.000 1.101 374 D CA 0.107 54.079 54.000 -0.047 0.000 0.906 374 D CB 0.852 41.636 40.800 -0.028 0.000 1.019 374 D HN 0.134 nan 8.370 nan 0.000 0.516 375 L N 1.843 123.010 121.223 -0.093 0.000 2.342 375 L HA 0.568 4.907 4.340 -0.000 0.000 0.271 375 L C -0.149 176.624 176.870 -0.162 0.000 1.008 375 L CA -1.139 53.633 54.840 -0.113 0.000 0.818 375 L CB 1.936 43.950 42.059 -0.075 0.000 1.296 375 L HN 0.013 nan 8.230 nan 0.000 0.427 376 V N 2.792 122.578 119.914 -0.213 0.000 2.495 376 V HA 0.555 4.675 4.120 -0.000 0.000 0.298 376 V C -0.273 175.757 176.094 -0.107 0.000 1.031 376 V CA -0.750 61.408 62.300 -0.237 0.000 0.871 376 V CB 2.469 33.984 31.823 -0.514 0.000 0.988 376 V HN 0.445 nan 8.190 nan 0.000 0.432 377 V N 6.160 126.058 119.914 -0.026 0.000 2.398 377 V HA 0.493 4.613 4.120 -0.000 0.000 0.286 377 V C -0.596 175.506 176.094 0.014 0.000 1.026 377 V CA -0.552 61.770 62.300 0.036 0.000 0.868 377 V CB 1.555 33.487 31.823 0.182 0.000 0.982 377 V HN 0.528 nan 8.190 nan 0.000 0.443 378 L N 4.021 125.243 121.223 -0.002 0.000 2.356 378 L HA 0.526 4.866 4.340 -0.000 0.000 0.277 378 L C -0.270 176.590 176.870 -0.017 0.000 0.996 378 L CA -0.326 54.505 54.840 -0.014 0.000 0.822 378 L CB 1.675 43.725 42.059 -0.014 0.000 1.256 378 L HN 0.649 nan 8.230 nan 0.000 0.413 379 D N 3.144 123.530 120.400 -0.023 0.000 2.517 379 D HA 0.544 5.184 4.640 -0.000 0.000 0.220 379 D C 0.244 176.531 176.300 -0.023 0.000 1.158 379 D CA 0.913 54.899 54.000 -0.023 0.000 0.992 379 D CB -0.027 40.756 40.800 -0.028 0.000 1.058 379 D HN 0.776 nan 8.370 nan 0.000 0.516 380 G N 2.194 110.980 108.800 -0.024 0.000 2.361 380 G HA2 0.011 3.971 3.960 -0.000 0.000 0.331 380 G HA3 0.011 3.971 3.960 -0.000 0.000 0.331 380 G C -1.284 173.598 174.900 -0.029 0.000 1.324 380 G CA -1.192 43.894 45.100 -0.024 0.000 0.984 380 G HN 0.422 nan 8.290 nan 0.000 0.586 381 N N 0.984 119.668 118.700 -0.028 0.000 2.511 381 N HA 0.601 5.341 4.740 -0.000 0.000 0.249 381 N C -0.777 174.710 175.510 -0.039 0.000 0.971 381 N CA -2.055 50.976 53.050 -0.031 0.000 0.938 381 N CB 2.325 40.798 38.487 -0.023 0.000 1.131 381 N HN 0.180 nan 8.380 nan 0.000 0.505 382 P HA -0.101 nan 4.420 nan 0.000 0.226 382 P C 1.169 178.434 177.300 -0.057 0.000 1.153 382 P CA 0.315 63.365 63.100 -0.082 0.000 0.777 382 P CB 0.480 32.101 31.700 -0.131 0.000 0.794 383 L N -0.283 120.917 121.223 -0.038 0.000 2.376 383 L HA -0.012 4.328 4.340 -0.000 0.000 0.219 383 L C 2.121 178.984 176.870 -0.011 0.000 1.133 383 L CA 1.803 56.630 54.840 -0.020 0.000 0.816 383 L CB -1.051 40.999 42.059 -0.015 0.000 0.933 383 L HN -0.068 nan 8.230 nan 0.000 0.449 384 E N -2.049 118.143 120.200 -0.014 0.000 2.367 384 E HA 0.019 4.369 4.350 -0.000 0.000 0.204 384 E C -0.124 176.473 176.600 -0.005 0.000 0.840 384 E CA 0.017 56.413 56.400 -0.006 0.000 1.051 384 E CB 0.698 30.396 29.700 -0.004 0.000 1.051 384 E HN 0.139 nan 8.360 nan 0.000 0.509 385 D N 0.429 120.821 120.400 -0.014 0.000 2.460 385 D HA 0.081 4.721 4.640 -0.000 0.000 0.232 385 D C 0.383 176.665 176.300 -0.029 0.000 1.079 385 D CA -0.286 53.707 54.000 -0.012 0.000 0.864 385 D CB 1.014 41.808 40.800 -0.010 0.000 1.048 385 D HN -0.036 nan 8.370 nan 0.000 0.523 386 I N 3.369 123.927 120.570 -0.019 0.000 2.567 386 I HA 0.032 4.201 4.170 -0.000 0.000 0.257 386 I C 2.018 178.110 176.117 -0.041 0.000 1.184 386 I CA 1.172 62.450 61.300 -0.037 0.000 1.451 386 I CB -0.327 37.684 38.000 0.018 0.000 1.089 386 I HN 0.572 nan 8.210 nan 0.000 0.441 387 G N -0.173 108.622 108.800 -0.009 0.000 2.498 387 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.219 387 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.219 387 G C 1.660 176.550 174.900 -0.017 0.000 1.119 387 G CA 1.001 46.105 45.100 0.006 0.000 0.766 387 G HN 0.488 nan 8.290 nan 0.000 0.552 388 V N -1.363 118.522 119.914 -0.049 0.000 3.141 388 V HA 0.024 4.144 4.120 -0.000 0.000 0.265 388 V C 2.102 178.145 176.094 -0.085 0.000 1.126 388 V CA 1.579 63.848 62.300 -0.053 0.000 1.141 388 V CB -0.061 31.731 31.823 -0.052 0.000 0.743 388 V HN 0.135 nan 8.190 nan 0.000 0.492 389 V N 0.173 119.986 119.914 -0.168 0.000 3.048 389 V HA 0.450 4.570 4.120 -0.000 0.000 0.241 389 V C 2.350 178.370 176.094 -0.123 0.000 1.129 389 V CA 0.891 63.011 62.300 -0.301 0.000 1.128 389 V CB -0.153 31.150 31.823 -0.867 0.000 0.849 389 V HN 0.510 nan 8.190 nan 0.000 0.475 390 A N -0.183 122.625 122.820 -0.020 0.000 2.579 390 A HA 0.203 4.522 4.320 -0.000 0.000 0.273 390 A C 0.694 178.373 177.584 0.159 0.000 1.363 390 A CA 0.450 52.590 52.037 0.171 0.000 0.953 390 A CB -0.611 18.516 19.000 0.211 0.000 1.034 390 A HN 0.435 nan 8.150 nan 0.000 0.536 391 D N -0.020 120.452 120.400 0.119 0.000 2.772 391 D HA 0.294 4.934 4.640 -0.000 0.000 0.272 391 D C 0.157 176.528 176.300 0.118 0.000 1.314 391 D CA -0.004 54.063 54.000 0.111 0.000 0.835 391 D CB -0.292 40.549 40.800 0.069 0.000 1.080 391 D HN 0.408 nan 8.370 nan 0.000 0.482 392 E N -1.416 118.880 120.200 0.160 0.000 3.170 392 E HA -0.251 4.099 4.350 -0.000 0.000 0.284 392 E C 1.025 177.698 176.600 0.122 0.000 0.967 392 E CA 0.619 57.108 56.400 0.148 0.000 0.919 392 E CB -1.249 28.511 29.700 0.101 0.000 1.469 392 E HN 0.496 nan 8.360 nan 0.000 0.444 393 G N -1.890 106.981 108.800 0.118 0.000 2.184 393 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.206 393 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.206 393 G C 0.959 175.885 174.900 0.044 0.000 0.995 393 G CA 0.587 45.741 45.100 0.090 0.000 0.651 393 G HN 0.766 nan 8.290 nan 0.000 0.511 394 A N 0.175 123.019 122.820 0.041 0.000 1.917 394 A HA 0.071 4.391 4.320 -0.000 0.000 0.219 394 A C 1.986 179.568 177.584 -0.002 0.000 1.182 394 A CA 2.096 54.144 52.037 0.018 0.000 0.633 394 A CB -0.215 18.800 19.000 0.025 0.000 0.819 394 A HN 0.445 nan 8.150 nan 0.000 0.448 395 R N -1.314 119.185 120.500 -0.002 0.000 2.633 395 R HA 0.291 4.631 4.340 -0.000 0.000 0.348 395 R C -0.704 175.579 176.300 -0.029 0.000 1.100 395 R CA -0.023 56.066 56.100 -0.019 0.000 1.068 395 R CB 0.910 31.201 30.300 -0.016 0.000 1.351 395 R HN 0.258 nan 8.270 nan 0.000 0.575 396 V N 1.769 121.665 119.914 -0.030 0.000 2.357 396 V HA 0.208 4.328 4.120 -0.000 0.000 0.284 396 V C 0.530 176.562 176.094 -0.103 0.000 1.018 396 V CA -0.282 61.990 62.300 -0.047 0.000 0.841 396 V CB 1.397 33.209 31.823 -0.019 0.000 0.991 396 V HN 0.393 nan 8.190 nan 0.000 0.437 397 E N 5.574 125.674 120.200 -0.167 0.000 2.490 397 E HA 0.102 4.452 4.350 -0.000 0.000 0.209 397 E C -0.928 175.303 176.600 -0.615 0.000 0.971 397 E CA -0.034 56.144 56.400 -0.369 0.000 0.988 397 E CB 0.509 29.947 29.700 -0.436 0.000 1.029 397 E HN 0.651 nan 8.360 nan 0.000 0.496 398 Y N 0.307 120.574 120.300 -0.054 0.000 2.442 398 Y HA 0.456 5.006 4.550 -0.000 0.000 0.344 398 Y C -0.564 175.284 175.900 -0.087 0.000 0.976 398 Y CA -1.076 56.987 58.100 -0.061 0.000 1.040 398 Y CB 2.499 40.924 38.460 -0.058 0.000 1.228 398 Y HN -0.239 nan 8.280 nan 0.000 0.451 399 V N 5.096 125.058 119.914 0.080 0.000 2.443 399 V HA 0.436 4.556 4.120 -0.000 0.000 0.293 399 V C -0.881 175.210 176.094 -0.004 0.000 1.021 399 V CA -0.680 61.612 62.300 -0.014 0.000 0.848 399 V CB 1.608 33.403 31.823 -0.046 0.000 0.998 399 V HN 0.507 nan 8.190 nan 0.000 0.424 400 L N 4.187 125.388 121.223 -0.036 0.000 2.317 400 L HA 0.643 4.983 4.340 -0.000 0.000 0.281 400 L C -0.198 176.644 176.870 -0.047 0.000 1.024 400 L CA 0.233 55.051 54.840 -0.037 0.000 0.810 400 L CB 1.771 43.802 42.059 -0.046 0.000 1.240 400 L HN 0.719 nan 8.230 nan 0.000 0.427 401 Q N 3.084 122.862 119.800 -0.035 0.000 2.304 401 Q HA 0.428 4.768 4.340 -0.000 0.000 0.270 401 Q C -0.625 175.357 176.000 -0.030 0.000 1.035 401 Q CA -0.751 55.032 55.803 -0.034 0.000 0.781 401 Q CB 1.364 30.084 28.738 -0.031 0.000 1.261 401 Q HN 0.428 nan 8.270 nan 0.000 0.444 402 R N 2.691 123.175 120.500 -0.027 0.000 3.109 402 R HA -0.337 4.003 4.340 -0.000 0.000 0.241 402 R C 0.648 176.933 176.300 -0.023 0.000 0.882 402 R CA 0.858 56.944 56.100 -0.023 0.000 0.604 402 R CB -1.832 28.452 30.300 -0.027 0.000 1.040 402 R HN 1.162 nan 8.270 nan 0.000 0.480 403 G N -1.376 107.410 108.800 -0.025 0.000 2.579 403 G HA2 -0.408 3.552 3.960 -0.000 0.000 0.222 403 G HA3 -0.408 3.552 3.960 -0.000 0.000 0.222 403 G C 0.270 175.153 174.900 -0.029 0.000 1.201 403 G CA 0.596 45.681 45.100 -0.025 0.000 0.710 403 G HN 0.792 nan 8.290 nan 0.000 0.516 404 T N 0.176 114.714 114.554 -0.027 0.000 2.913 404 T HA 0.630 4.980 4.350 -0.000 0.000 0.287 404 T C 0.246 174.932 174.700 -0.022 0.000 1.008 404 T CA 0.122 62.207 62.100 -0.025 0.000 1.067 404 T CB 1.743 70.598 68.868 -0.022 0.000 0.996 404 T HN 1.285 nan 8.240 nan 0.000 0.513 405 L N 4.558 125.771 121.223 -0.017 0.000 2.290 405 L HA 0.470 4.810 4.340 -0.000 0.000 0.284 405 L C 0.506 177.383 176.870 0.011 0.000 1.078 405 L CA 0.073 54.913 54.840 -0.000 0.000 0.815 405 L CB 0.930 42.992 42.059 0.004 0.000 1.162 405 L HN 0.677 nan 8.230 nan 0.000 0.435 406 V N 2.240 122.163 119.914 0.015 0.000 3.484 406 V HA 0.364 4.484 4.120 -0.000 0.000 0.252 406 V C 0.385 176.487 176.094 0.014 0.000 1.282 406 V CA 0.113 62.417 62.300 0.007 0.000 1.104 406 V CB -0.386 31.433 31.823 -0.006 0.000 0.868 406 V HN 0.597 nan 8.190 nan 0.000 0.457 407 K N 1.738 122.155 120.400 0.028 0.000 2.443 407 K HA 0.569 4.889 4.320 -0.000 0.000 0.252 407 K C -1.048 175.572 176.600 0.033 0.000 0.933 407 K CA -0.351 55.946 56.287 0.015 0.000 0.792 407 K CB 2.948 35.443 32.500 -0.007 0.000 1.185 407 K HN 0.137 nan 8.250 nan 0.000 0.425 408 R N 3.297 123.794 120.500 -0.005 0.000 2.435 408 R HA 0.243 4.583 4.340 -0.000 0.000 0.308 408 R C -0.751 175.466 176.300 -0.138 0.000 0.975 408 R CA -0.112 55.945 56.100 -0.072 0.000 0.867 408 R CB 0.917 31.241 30.300 0.041 0.000 1.171 408 R HN 0.688 nan 8.270 nan 0.000 0.470 409 Q N 0.000 119.653 119.800 -0.245 0.000 2.315 409 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 409 Q CA 0.000 55.701 55.803 -0.170 0.000 1.022 409 Q CB 0.000 28.663 28.738 -0.126 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481