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 1p8j_1_F DATA FIRST_RESID 108 DATA SEQUENCE DVYQEPTDPK FPQQWYLSGV TQRDLNVKEA WAQGFTGHGI VVSILDDGIE DATA SEQUENCE KNHPDLAGNY DPGASFDVND QDPDPQPRYT QMNDNRHGTR CAGEVAAVAN DATA SEQUENCE NGVcGVGVAY NARIGGVRML DGEVTDAVEA RSLGLNPNHI HIYSASWGPE DATA SEQUENCE DDGKTVDGPA RLAEEAFFRG VSQGRGGLGS IFVWASGNGG REHDScNCDG DATA SEQUENCE YTNSIYTLSI SSATQFGNVP WYSEAcSSTL ATTYSSGNQN EKQIVTTDLR DATA SEQUENCE QKcTESHTGT SASAPLAAGI IALTLEANKN LTWRDMQHLV VQTSKPAHLN DATA SEQUENCE ADDWATNGVG RKVSHSYGYG LLDAGAMVAL AQNWTTVAPQ RKcIVEILVE DATA SEQUENCE PKDIGKRLEV RKAVTAcLGE PNHITRLEHV QARLTLSYNR RGDLAIHLIS DATA SEQUENCE PMGTRSTLLA ARPHDYSADG FNDWAFMTTH SWDEDPAGEW VLEIENTSEA DATA SEQUENCE NNYGTLTKFT LVLYGTAP 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 108 D HA 0.000 nan 4.640 nan 0.000 0.175 108 D C 0.000 176.316 176.300 0.027 0.000 2.045 108 D CA 0.000 54.009 54.000 0.016 0.000 0.868 108 D CB 0.000 40.820 40.800 0.033 0.000 0.688 109 V N 1.736 121.676 119.914 0.043 0.000 3.327 109 V HA -0.259 3.994 4.120 0.222 0.000 0.455 109 V C -0.321 175.819 176.094 0.075 0.000 0.681 109 V CA -0.482 61.848 62.300 0.049 0.000 1.970 109 V CB -1.613 30.217 31.823 0.012 0.000 2.431 109 V HN 0.410 nan 8.190 nan 0.000 0.494 110 Y N 5.488 125.794 120.300 0.011 0.000 2.425 110 Y HA 0.543 5.226 4.550 0.223 0.000 0.331 110 Y C 0.441 176.354 175.900 0.022 0.000 1.157 110 Y CA 0.544 58.661 58.100 0.029 0.000 1.372 110 Y CB 1.001 39.502 38.460 0.068 0.000 1.253 110 Y HN 0.722 nan 8.280 nan 0.000 0.536 111 Q N 4.488 123.686 119.800 -1.004 0.000 2.315 111 Q HA 0.170 4.643 4.340 0.222 0.000 0.273 111 Q C -1.326 174.044 176.000 -1.050 0.000 1.053 111 Q CA -1.078 54.192 55.803 -0.887 0.000 0.817 111 Q CB 2.137 30.639 28.738 -0.395 0.000 1.326 111 Q HN 0.815 nan 8.270 nan 0.000 0.423 112 E N 3.211 122.979 120.200 -0.720 0.000 2.442 112 E HA 0.098 4.581 4.350 0.222 0.000 0.262 112 E C -2.155 174.200 176.600 -0.407 0.000 1.004 112 E CA -1.166 55.042 56.400 -0.319 0.000 0.928 112 E CB 0.362 30.079 29.700 0.027 0.000 0.937 112 E HN 0.135 nan 8.360 nan 0.000 0.446 113 P HA -0.078 nan 4.420 nan 0.000 0.264 113 P C 0.035 177.081 177.300 -0.424 0.000 1.179 113 P CA 0.421 63.080 63.100 -0.735 0.000 0.763 113 P CB 0.639 31.631 31.700 -1.181 0.000 0.806 114 T N -2.445 111.940 114.554 -0.282 0.000 3.054 114 T HA 0.129 4.612 4.350 0.222 0.000 0.255 114 T C 0.078 174.740 174.700 -0.063 0.000 1.035 114 T CA -0.350 61.674 62.100 -0.126 0.000 0.941 114 T CB -0.675 68.122 68.868 -0.118 0.000 1.026 114 T HN 0.204 nan 8.240 nan 0.000 0.533 115 D N 4.417 124.763 120.400 -0.090 0.000 2.525 115 D HA 0.080 4.853 4.640 0.222 0.000 0.235 115 D C -1.019 175.321 176.300 0.066 0.000 1.137 115 D CA -1.031 52.959 54.000 -0.017 0.000 0.868 115 D CB 0.791 41.577 40.800 -0.023 0.000 1.180 115 D HN 0.134 nan 8.370 nan 0.000 0.465 116 P HA -0.222 nan 4.420 nan 0.000 0.216 116 P C 0.647 177.998 177.300 0.085 0.000 1.150 116 P CA 1.342 64.479 63.100 0.062 0.000 0.843 116 P CB 0.306 32.032 31.700 0.043 0.000 0.787 117 K N -1.816 118.645 120.400 0.102 0.000 2.374 117 K HA 0.104 4.557 4.320 0.222 0.000 0.196 117 K C 1.616 178.287 176.600 0.118 0.000 1.023 117 K CA -0.337 56.011 56.287 0.101 0.000 1.103 117 K CB -0.825 31.734 32.500 0.098 0.000 0.848 117 K HN 0.115 nan 8.250 nan 0.000 0.528 118 F N 3.246 123.200 119.950 0.007 0.000 2.161 118 F HA -0.099 4.560 4.527 0.220 0.000 0.300 118 F C -1.102 174.694 175.800 -0.006 0.000 1.089 118 F CA 0.730 58.731 58.000 0.002 0.000 1.282 118 F CB -0.916 38.089 39.000 0.009 0.000 1.010 118 F HN 0.020 nan 8.300 nan 0.000 0.485 119 P HA -0.167 nan 4.420 nan 0.000 0.218 119 P C 1.179 178.372 177.300 -0.178 0.000 1.148 119 P CA 1.546 64.529 63.100 -0.195 0.000 0.822 119 P CB -0.044 31.639 31.700 -0.029 0.000 0.784 120 Q N -0.901 118.848 119.800 -0.085 0.000 2.435 120 Q HA -0.029 4.445 4.340 0.222 0.000 0.207 120 Q C 0.887 176.868 176.000 -0.032 0.000 0.956 120 Q CA 0.793 56.602 55.803 0.009 0.000 0.917 120 Q CB -0.691 28.091 28.738 0.074 0.000 0.997 120 Q HN 0.442 nan 8.270 nan 0.000 0.497 121 Q N 0.692 120.302 119.800 -0.316 0.000 3.254 121 Q HA -0.017 4.456 4.340 0.222 0.000 0.315 121 Q C 0.294 175.674 176.000 -1.032 0.000 1.405 121 Q CA -0.343 54.984 55.803 -0.794 0.000 0.966 121 Q CB -0.351 27.986 28.738 -0.669 0.000 1.706 121 Q HN 0.552 nan 8.270 nan 0.000 0.525 122 W N 0.440 121.410 121.300 -0.549 0.000 2.313 122 W HA -0.307 4.486 4.660 0.222 0.000 0.293 122 W C 0.696 176.971 176.519 -0.407 0.000 1.216 122 W CA 0.965 58.069 57.345 -0.400 0.000 1.223 122 W CB -1.104 28.207 29.460 -0.248 0.000 1.138 122 W HN 0.531 nan 8.180 nan 0.000 0.535 123 Y N -0.669 118.995 120.300 -1.061 0.000 2.561 123 Y HA 0.218 4.905 4.550 0.228 0.000 0.291 123 Y C 2.192 177.882 175.900 -0.351 0.000 1.141 123 Y CA 0.603 58.190 58.100 -0.854 0.000 1.303 123 Y CB -1.257 36.513 38.460 -1.149 0.000 1.015 123 Y HN -0.088 nan 8.280 nan 0.000 0.547 124 L N -0.148 120.705 121.223 -0.617 0.000 2.416 124 L HA 0.150 4.623 4.340 0.222 0.000 0.188 124 L C 0.820 177.546 176.870 -0.240 0.000 1.145 124 L CA 0.412 55.063 54.840 -0.315 0.000 0.826 124 L CB -0.405 41.543 42.059 -0.185 0.000 1.064 124 L HN 0.134 nan 8.230 nan 0.000 0.490 125 S N 0.496 116.000 115.700 -0.326 0.000 2.434 125 S HA 0.617 5.220 4.470 0.222 0.000 0.318 125 S C -0.075 174.407 174.600 -0.196 0.000 1.062 125 S CA -0.517 57.562 58.200 -0.202 0.000 1.116 125 S CB 0.760 63.766 63.200 -0.323 0.000 0.977 125 S HN 0.263 nan 8.310 nan 0.000 0.480 126 G N 1.609 110.352 108.800 -0.095 0.000 2.675 126 G HA2 0.460 4.553 3.960 0.222 0.000 0.297 126 G HA3 0.460 4.553 3.960 0.222 0.000 0.297 126 G C 0.429 175.318 174.900 -0.018 0.000 1.399 126 G CA -0.766 44.302 45.100 -0.054 0.000 0.981 126 G HN 1.251 nan 8.290 nan 0.000 0.519 127 V N 0.852 120.757 119.914 -0.014 0.000 3.488 127 V HA 0.074 4.328 4.120 0.222 0.000 0.273 127 V C 1.462 177.558 176.094 0.003 0.000 1.209 127 V CA 1.873 64.174 62.300 0.003 0.000 1.179 127 V CB -0.274 31.552 31.823 0.005 0.000 0.842 127 V HN 0.565 nan 8.190 nan 0.000 0.515 128 T N -0.582 113.970 114.554 -0.003 0.000 3.044 128 T HA 0.141 4.624 4.350 0.222 0.000 0.260 128 T C 0.769 175.471 174.700 0.004 0.000 1.019 128 T CA 0.319 62.415 62.100 -0.007 0.000 0.921 128 T CB -0.323 68.529 68.868 -0.027 0.000 1.053 128 T HN 0.623 nan 8.240 nan 0.000 0.533 129 Q N 1.091 120.906 119.800 0.025 0.000 2.470 129 Q HA -0.108 4.365 4.340 0.222 0.000 0.290 129 Q C -0.788 175.276 176.000 0.108 0.000 1.353 129 Q CA 0.535 56.376 55.803 0.063 0.000 0.787 129 Q CB -1.322 27.462 28.738 0.075 0.000 1.158 129 Q HN 0.449 nan 8.270 nan 0.000 0.426 130 R N 1.138 121.694 120.500 0.094 0.000 2.655 130 R HA 0.287 4.760 4.340 0.222 0.000 0.261 130 R C -0.432 175.967 176.300 0.165 0.000 1.624 130 R CA -0.051 56.149 56.100 0.166 0.000 1.655 130 R CB 0.594 30.918 30.300 0.040 0.000 1.356 130 R HN 0.433 nan 8.270 nan 0.000 0.684 131 D N -2.132 118.424 120.400 0.259 0.000 2.677 131 D HA 0.153 4.926 4.640 0.222 0.000 0.298 131 D C 0.679 177.112 176.300 0.222 0.000 1.250 131 D CA -0.879 53.262 54.000 0.234 0.000 0.888 131 D CB 0.561 41.369 40.800 0.014 0.000 1.397 131 D HN -0.024 nan 8.370 nan 0.000 0.461 132 L N -0.576 120.727 121.223 0.134 0.000 2.622 132 L HA 0.120 4.593 4.340 0.222 0.000 0.233 132 L C 0.460 177.295 176.870 -0.059 0.000 1.156 132 L CA 0.257 55.118 54.840 0.034 0.000 0.866 132 L CB -1.327 40.746 42.059 0.023 0.000 0.980 132 L HN 0.567 nan 8.230 nan 0.000 0.448 133 N N -0.157 118.501 118.700 -0.069 0.000 2.714 133 N HA -0.178 4.695 4.740 0.222 0.000 0.252 133 N C 0.789 176.167 175.510 -0.221 0.000 1.014 133 N CA 0.780 53.761 53.050 -0.115 0.000 0.735 133 N CB -0.756 37.687 38.487 -0.073 0.000 0.924 133 N HN 0.309 nan 8.380 nan 0.000 0.540 134 V N -2.778 116.917 119.914 -0.365 0.000 2.725 134 V HA 0.050 4.303 4.120 0.222 0.000 0.247 134 V C 2.081 177.612 176.094 -0.939 0.000 1.058 134 V CA 1.384 63.291 62.300 -0.655 0.000 1.080 134 V CB -0.278 31.053 31.823 -0.820 0.000 0.713 134 V HN 0.312 nan 8.190 nan 0.000 0.465 135 K N 0.751 120.722 120.400 -0.715 0.000 2.113 135 K HA -0.258 4.195 4.320 0.222 0.000 0.208 135 K C 2.262 178.708 176.600 -0.257 0.000 1.047 135 K CA 2.161 58.218 56.287 -0.384 0.000 0.928 135 K CB -0.231 32.258 32.500 -0.017 0.000 0.716 135 K HN 0.752 nan 8.250 nan 0.000 0.446 136 E N 0.567 120.644 120.200 -0.205 0.000 2.153 136 E HA -0.180 4.303 4.350 0.222 0.000 0.194 136 E C 1.824 178.360 176.600 -0.108 0.000 0.988 136 E CA 0.976 57.304 56.400 -0.120 0.000 0.811 136 E CB 0.019 29.673 29.700 -0.077 0.000 0.746 136 E HN 0.319 nan 8.360 nan 0.000 0.466 137 A N 0.676 123.406 122.820 -0.150 0.000 1.929 137 A HA -0.122 4.331 4.320 0.222 0.000 0.216 137 A C 1.753 179.389 177.584 0.087 0.000 1.176 137 A CA 0.881 52.916 52.037 -0.003 0.000 0.628 137 A CB -0.831 18.135 19.000 -0.056 0.000 0.816 137 A HN 0.433 nan 8.150 nan 0.000 0.444 138 W N -0.056 121.127 121.300 -0.196 0.000 2.355 138 W HA -0.078 4.714 4.660 0.221 0.000 0.309 138 W C 2.787 178.955 176.519 -0.585 0.000 1.206 138 W CA 0.758 57.888 57.345 -0.358 0.000 1.284 138 W CB -1.346 27.871 29.460 -0.405 0.000 1.145 138 W HN 0.432 nan 8.180 nan 0.000 0.502 139 A N 0.305 122.820 122.820 -0.509 0.000 1.940 139 A HA -0.239 4.214 4.320 0.222 0.000 0.219 139 A C 1.875 179.371 177.584 -0.146 0.000 1.176 139 A CA 1.699 53.481 52.037 -0.424 0.000 0.631 139 A CB -0.917 17.953 19.000 -0.216 0.000 0.814 139 A HN 0.452 nan 8.150 nan 0.000 0.446 140 Q N -1.571 118.164 119.800 -0.108 0.000 2.466 140 Q HA 0.237 4.710 4.340 0.222 0.000 0.210 140 Q C 1.011 176.755 176.000 -0.427 0.000 0.961 140 Q CA 0.360 56.081 55.803 -0.135 0.000 0.953 140 Q CB -0.054 28.713 28.738 0.048 0.000 1.011 140 Q HN 0.919 nan 8.270 nan 0.000 0.516 141 G N 0.450 109.051 108.800 -0.331 0.000 2.141 141 G HA2 -0.235 3.858 3.960 0.222 0.000 0.231 141 G HA3 -0.235 3.858 3.960 0.222 0.000 0.231 141 G C -0.406 174.210 174.900 -0.473 0.000 0.984 141 G CA -0.474 44.391 45.100 -0.391 0.000 0.660 141 G HN 0.242 nan 8.290 nan 0.000 0.525 142 F N 1.609 121.581 119.950 0.036 0.000 2.361 142 F HA 0.595 5.257 4.527 0.225 0.000 0.364 142 F C 1.172 176.983 175.800 0.018 0.000 1.117 142 F CA -0.178 57.837 58.000 0.025 0.000 1.071 142 F CB 1.936 40.940 39.000 0.007 0.000 1.188 142 F HN 0.125 nan 8.300 nan 0.000 0.464 143 T N -2.040 112.536 114.554 0.037 0.000 3.144 143 T HA 0.445 4.928 4.350 0.222 0.000 0.290 143 T C 1.122 175.637 174.700 -0.308 0.000 0.966 143 T CA 0.186 62.093 62.100 -0.321 0.000 0.907 143 T CB 0.375 68.766 68.868 -0.795 0.000 1.152 143 T HN 0.951 nan 8.240 nan 0.000 0.532 144 G N 1.144 109.880 108.800 -0.108 0.000 2.184 144 G HA2 -0.191 3.902 3.960 0.222 0.000 0.206 144 G HA3 -0.191 3.902 3.960 0.222 0.000 0.206 144 G C -0.142 174.715 174.900 -0.071 0.000 0.995 144 G CA -0.403 44.639 45.100 -0.096 0.000 0.651 144 G HN 0.747 nan 8.290 nan 0.000 0.511 145 H N -0.129 118.930 119.070 -0.018 0.000 3.094 145 H HA 0.346 5.035 4.556 0.223 0.000 0.320 145 H C 1.653 176.977 175.328 -0.007 0.000 1.000 145 H CA 2.003 58.047 56.048 -0.005 0.000 1.413 145 H CB 0.717 30.480 29.762 0.003 0.000 1.405 145 H HN 1.270 nan 8.280 nan 0.000 0.586 146 G N 2.958 111.840 108.800 0.136 0.000 2.184 146 G HA2 -0.259 3.834 3.960 0.222 0.000 0.264 146 G HA3 -0.259 3.834 3.960 0.222 0.000 0.264 146 G C 0.044 174.959 174.900 0.024 0.000 0.975 146 G CA 0.154 45.300 45.100 0.078 0.000 0.642 146 G HN 0.438 nan 8.290 nan 0.000 0.536 147 I N 0.945 121.503 120.570 -0.020 0.000 2.392 147 I HA 0.579 4.882 4.170 0.222 0.000 0.295 147 I C 0.445 176.606 176.117 0.073 0.000 0.985 147 I CA -1.329 59.924 61.300 -0.079 0.000 1.221 147 I CB 1.551 39.464 38.000 -0.145 0.000 1.366 147 I HN -0.117 nan 8.210 nan 0.000 0.467 148 V N 6.672 126.758 119.914 0.287 0.000 2.448 148 V HA 0.511 4.764 4.120 0.222 0.000 0.295 148 V C -0.045 176.009 176.094 -0.066 0.000 1.025 148 V CA -0.662 61.625 62.300 -0.021 0.000 0.859 148 V CB 2.280 33.878 31.823 -0.375 0.000 0.988 148 V HN 0.455 nan 8.190 nan 0.000 0.431 149 V N 3.441 123.298 119.914 -0.094 0.000 2.604 149 V HA 0.629 4.882 4.120 0.222 0.000 0.305 149 V C -0.111 175.913 176.094 -0.115 0.000 1.043 149 V CA -0.365 61.871 62.300 -0.107 0.000 0.888 149 V CB 2.160 33.958 31.823 -0.042 0.000 0.995 149 V HN 0.836 nan 8.190 nan 0.000 0.429 150 S N 4.561 120.167 115.700 -0.157 0.000 2.502 150 S HA 0.681 5.284 4.470 0.222 0.000 0.304 150 S C -0.841 173.780 174.600 0.036 0.000 1.097 150 S CA -0.625 57.533 58.200 -0.069 0.000 1.045 150 S CB 0.872 63.998 63.200 -0.123 0.000 1.019 150 S HN 0.487 nan 8.310 nan 0.000 0.481 151 I N 5.596 126.214 120.570 0.081 0.000 2.297 151 I HA 0.283 4.586 4.170 0.222 0.000 0.291 151 I C -0.313 175.904 176.117 0.167 0.000 1.033 151 I CA -0.389 60.977 61.300 0.110 0.000 1.253 151 I CB 0.863 38.918 38.000 0.093 0.000 1.396 151 I HN 0.596 nan 8.210 nan 0.000 0.476 152 L N 6.433 127.788 121.223 0.221 0.000 2.282 152 L HA 0.360 4.833 4.340 0.222 0.000 0.287 152 L C 0.292 177.359 176.870 0.329 0.000 1.075 152 L CA 0.254 55.276 54.840 0.302 0.000 0.839 152 L CB 0.494 42.815 42.059 0.436 0.000 1.219 152 L HN 0.633 nan 8.230 nan 0.000 0.434 153 D N 0.850 121.350 120.400 0.167 0.000 4.378 153 D HA 0.009 4.782 4.640 0.222 0.000 0.318 153 D C -0.517 175.785 176.300 0.003 0.000 1.651 153 D CA -0.153 53.911 54.000 0.107 0.000 0.976 153 D CB 0.953 41.881 40.800 0.214 0.000 1.451 153 D HN 0.525 nan 8.370 nan 0.000 0.665 154 D N 0.138 120.557 120.400 0.032 0.000 2.358 154 D HA 0.418 5.191 4.640 0.222 0.000 0.224 154 D C 0.864 177.178 176.300 0.024 0.000 1.123 154 D CA 0.331 54.332 54.000 0.001 0.000 0.833 154 D CB 0.417 41.219 40.800 0.002 0.000 0.946 154 D HN 0.696 nan 8.370 nan 0.000 0.505 155 G N -0.309 108.520 108.800 0.048 0.000 2.423 155 G HA2 0.053 4.146 3.960 0.222 0.000 0.684 155 G HA3 0.053 4.146 3.960 0.222 0.000 0.684 155 G C -1.600 173.334 174.900 0.058 0.000 1.309 155 G CA -0.583 44.547 45.100 0.050 0.000 0.950 155 G HN 0.420 nan 8.290 nan 0.000 0.587 156 I N -0.299 120.303 120.570 0.054 0.000 2.569 156 I HA 0.562 4.865 4.170 0.222 0.000 0.290 156 I C 0.085 176.202 176.117 0.000 0.000 1.088 156 I CA -0.799 60.529 61.300 0.048 0.000 1.047 156 I CB 1.824 39.888 38.000 0.107 0.000 1.237 156 I HN 0.715 nan 8.210 nan 0.000 0.421 157 E N 7.309 127.512 120.200 0.005 0.000 1.775 157 E HA 0.024 4.508 4.350 0.222 0.000 0.266 157 E C 0.982 177.547 176.600 -0.058 0.000 1.191 157 E CA -0.161 56.237 56.400 -0.002 0.000 1.048 157 E CB 0.465 30.213 29.700 0.081 0.000 1.081 157 E HN 0.608 nan 8.360 nan 0.000 0.434 158 K N 2.874 123.133 120.400 -0.235 0.000 2.360 158 K HA -0.172 4.281 4.320 0.222 0.000 0.201 158 K C 0.773 177.176 176.600 -0.329 0.000 1.046 158 K CA 1.348 57.302 56.287 -0.555 0.000 0.940 158 K CB -0.039 31.657 32.500 -1.339 0.000 0.748 158 K HN 0.281 nan 8.250 nan 0.000 0.465 159 N N 0.511 119.111 118.700 -0.166 0.000 2.235 159 N HA -0.086 4.787 4.740 0.222 0.000 0.209 159 N C -0.362 175.133 175.510 -0.025 0.000 1.122 159 N CA -0.288 52.708 53.050 -0.090 0.000 0.845 159 N CB -0.277 38.157 38.487 -0.089 0.000 1.004 159 N HN 0.226 nan 8.380 nan 0.000 0.499 160 H N 3.356 122.388 119.070 -0.063 0.000 2.964 160 H HA 0.071 4.762 4.556 0.224 0.000 0.328 160 H C -1.263 174.055 175.328 -0.015 0.000 1.030 160 H CA -0.759 55.272 56.048 -0.030 0.000 1.445 160 H CB 1.524 31.274 29.762 -0.019 0.000 1.449 160 H HN 0.023 nan 8.280 nan 0.000 0.581 161 P HA -0.157 nan 4.420 nan 0.000 0.220 161 P C 0.566 177.956 177.300 0.149 0.000 1.144 161 P CA 1.251 64.352 63.100 0.002 0.000 0.800 161 P CB 0.461 32.106 31.700 -0.093 0.000 0.772 162 D N -1.895 118.745 120.400 0.400 0.000 2.395 162 D HA 0.176 4.949 4.640 0.222 0.000 0.213 162 D C 1.542 177.916 176.300 0.124 0.000 1.110 162 D CA 0.121 54.246 54.000 0.209 0.000 0.835 162 D CB 0.019 40.922 40.800 0.171 0.000 0.965 162 D HN 0.112 nan 8.370 nan 0.000 0.505 163 L N -1.000 120.316 121.223 0.155 0.000 2.694 163 L HA 0.352 4.825 4.340 0.222 0.000 0.228 163 L C 2.275 179.227 176.870 0.137 0.000 1.048 163 L CA 0.410 55.315 54.840 0.108 0.000 0.887 163 L CB -0.170 41.937 42.059 0.080 0.000 1.265 163 L HN -0.085 nan 8.230 nan 0.000 0.492 164 A N 1.132 124.023 122.820 0.119 0.000 1.940 164 A HA -0.242 4.211 4.320 0.222 0.000 0.221 164 A C 2.255 179.918 177.584 0.133 0.000 1.190 164 A CA 2.308 54.411 52.037 0.110 0.000 0.647 164 A CB -1.372 17.661 19.000 0.056 0.000 0.821 164 A HN 0.446 nan 8.150 nan 0.000 0.457 165 G N -0.902 107.955 108.800 0.096 0.000 2.450 165 G HA2 -0.237 3.856 3.960 0.222 0.000 0.220 165 G HA3 -0.237 3.856 3.960 0.222 0.000 0.220 165 G C 1.173 176.125 174.900 0.088 0.000 1.130 165 G CA 1.161 46.308 45.100 0.078 0.000 0.760 165 G HN 0.573 nan 8.290 nan 0.000 0.557 166 N N -1.261 117.501 118.700 0.104 0.000 2.184 166 N HA 0.094 4.967 4.740 0.222 0.000 0.206 166 N C -0.201 175.373 175.510 0.107 0.000 1.151 166 N CA -0.580 52.522 53.050 0.086 0.000 0.878 166 N CB 0.280 38.806 38.487 0.064 0.000 1.014 166 N HN 0.363 nan 8.380 nan 0.000 0.512 167 Y N 2.372 122.695 120.300 0.039 0.000 2.712 167 Y HA 0.054 4.737 4.550 0.220 0.000 0.333 167 Y C -0.097 175.835 175.900 0.052 0.000 1.225 167 Y CA 0.045 58.171 58.100 0.043 0.000 1.499 167 Y CB 0.408 38.894 38.460 0.042 0.000 1.288 167 Y HN -0.090 nan 8.280 nan 0.000 0.575 168 D N 7.870 127.759 120.400 -0.852 0.000 2.473 168 D HA 0.316 5.089 4.640 0.222 0.000 0.253 168 D C -2.339 173.496 176.300 -0.775 0.000 1.233 168 D CA -2.464 51.191 54.000 -0.574 0.000 0.908 168 D CB 1.991 42.679 40.800 -0.186 0.000 1.170 168 D HN 0.264 nan 8.370 nan 0.000 0.558 169 P HA 0.002 nan 4.420 nan 0.000 0.219 169 P C 1.304 178.550 177.300 -0.090 0.000 1.146 169 P CA 0.891 63.855 63.100 -0.226 0.000 0.808 169 P CB 0.350 32.043 31.700 -0.012 0.000 0.779 170 G N -0.363 108.376 108.800 -0.102 0.000 2.534 170 G HA2 -0.061 4.032 3.960 0.222 0.000 0.217 170 G HA3 -0.061 4.032 3.960 0.222 0.000 0.217 170 G C 1.224 176.180 174.900 0.093 0.000 1.128 170 G CA 0.636 45.681 45.100 -0.092 0.000 0.784 170 G HN 0.367 nan 8.290 nan 0.000 0.542 171 A N -0.215 122.649 122.820 0.073 0.000 2.500 171 A HA 0.670 5.123 4.320 0.222 0.000 0.267 171 A C 0.678 178.298 177.584 0.061 0.000 1.290 171 A CA -0.034 52.038 52.037 0.059 0.000 0.928 171 A CB 0.364 19.340 19.000 -0.040 0.000 1.066 171 A HN 0.159 nan 8.150 nan 0.000 0.516 172 S N -1.177 114.581 115.700 0.097 0.000 2.599 172 S HA 0.887 5.490 4.470 0.222 0.000 0.294 172 S C -1.115 173.670 174.600 0.309 0.000 1.094 172 S CA -0.442 57.868 58.200 0.183 0.000 0.931 172 S CB 1.713 65.036 63.200 0.205 0.000 1.093 172 S HN 0.463 nan 8.310 nan 0.000 0.488 173 F N 0.942 120.948 119.950 0.094 0.000 2.793 173 F HA 0.283 4.942 4.527 0.220 0.000 0.316 173 F C -2.162 173.677 175.800 0.066 0.000 1.147 173 F CA -0.567 57.477 58.000 0.075 0.000 0.930 173 F CB 1.304 40.343 39.000 0.064 0.000 1.277 173 F HN 0.554 nan 8.300 nan 0.000 0.443 174 D N 3.143 123.346 120.400 -0.328 0.000 2.464 174 D HA 0.372 5.145 4.640 0.222 0.000 0.243 174 D C 0.413 176.764 176.300 0.084 0.000 1.104 174 D CA -0.031 53.908 54.000 -0.102 0.000 0.883 174 D CB 1.526 42.206 40.800 -0.199 0.000 1.050 174 D HN 0.284 nan 8.370 nan 0.000 0.524 175 V N 3.782 123.862 119.914 0.277 0.000 2.667 175 V HA -0.141 4.112 4.120 0.222 0.000 0.252 175 V C 2.011 178.179 176.094 0.122 0.000 1.065 175 V CA 1.284 63.748 62.300 0.272 0.000 1.083 175 V CB -0.594 31.338 31.823 0.182 0.000 0.692 175 V HN 0.544 nan 8.190 nan 0.000 0.468 176 N N 0.257 118.991 118.700 0.056 0.000 2.166 176 N HA -0.146 4.728 4.740 0.222 0.000 0.186 176 N C 0.899 176.419 175.510 0.016 0.000 1.019 176 N CA 1.359 54.418 53.050 0.016 0.000 0.856 176 N CB -0.005 38.476 38.487 -0.011 0.000 0.993 176 N HN 0.410 nan 8.380 nan 0.000 0.426 177 D N -0.031 120.373 120.400 0.007 0.000 2.395 177 D HA 0.046 4.819 4.640 0.222 0.000 0.213 177 D C -0.181 176.120 176.300 0.002 0.000 1.110 177 D CA 0.141 54.136 54.000 -0.008 0.000 0.835 177 D CB 0.300 41.078 40.800 -0.038 0.000 0.965 177 D HN -0.076 nan 8.370 nan 0.000 0.505 178 Q N 1.310 121.149 119.800 0.064 0.000 2.452 178 Q HA -0.191 4.282 4.340 0.222 0.000 0.318 178 Q C -0.834 175.175 176.000 0.014 0.000 1.386 178 Q CA 0.963 56.855 55.803 0.148 0.000 0.872 178 Q CB -1.173 27.632 28.738 0.113 0.000 1.151 178 Q HN 0.464 nan 8.270 nan 0.000 0.417 179 D N -1.205 119.018 120.400 -0.295 0.000 2.602 179 D HA 0.288 5.061 4.640 0.222 0.000 0.236 179 D C -2.181 173.480 176.300 -1.066 0.000 1.209 179 D CA -1.352 52.382 54.000 -0.442 0.000 0.831 179 D CB 1.917 42.578 40.800 -0.232 0.000 1.478 179 D HN -0.113 nan 8.370 nan 0.000 0.438 180 P HA 0.004 nan 4.420 nan 0.000 0.225 180 P C 0.164 177.274 177.300 -0.317 0.000 1.156 180 P CA 0.440 63.167 63.100 -0.622 0.000 0.787 180 P CB 0.389 32.001 31.700 -0.146 0.000 0.802 181 D N 1.957 122.219 120.400 -0.229 0.000 2.338 181 D HA 0.071 4.844 4.640 0.222 0.000 0.255 181 D C -1.521 174.723 176.300 -0.094 0.000 1.237 181 D CA -2.264 51.674 54.000 -0.103 0.000 0.883 181 D CB 0.789 41.541 40.800 -0.081 0.000 1.087 181 D HN 0.127 nan 8.370 nan 0.000 0.485 182 P HA 0.011 nan 4.420 nan 0.000 0.257 182 P C 0.102 177.404 177.300 0.002 0.000 1.325 182 P CA -0.186 62.922 63.100 0.014 0.000 0.850 182 P CB 0.260 32.023 31.700 0.106 0.000 1.324 183 Q N 3.031 122.814 119.800 -0.028 0.000 2.283 183 Q HA 0.091 4.564 4.340 0.222 0.000 0.301 183 Q C -1.977 174.021 176.000 -0.003 0.000 1.063 183 Q CA -1.179 54.607 55.803 -0.028 0.000 0.952 183 Q CB -0.025 28.689 28.738 -0.039 0.000 1.166 183 Q HN 0.218 nan 8.270 nan 0.000 0.381 184 P HA 0.065 nan 4.420 nan 0.000 0.274 184 P C -1.151 176.171 177.300 0.036 0.000 1.237 184 P CA -0.239 62.875 63.100 0.023 0.000 0.793 184 P CB 0.639 32.357 31.700 0.029 0.000 0.977 185 R N 2.212 122.730 120.500 0.029 0.000 2.248 185 R HA 0.128 4.601 4.340 0.222 0.000 0.328 185 R C -0.327 176.010 176.300 0.061 0.000 1.067 185 R CA -0.544 55.584 56.100 0.047 0.000 0.924 185 R CB -0.376 29.936 30.300 0.021 0.000 1.013 185 R HN 0.449 nan 8.270 nan 0.000 0.454 186 Y N 4.407 124.702 120.300 -0.009 0.000 2.610 186 Y HA 0.037 4.720 4.550 0.222 0.000 0.332 186 Y C -0.349 175.549 175.900 -0.003 0.000 1.201 186 Y CA 0.998 59.095 58.100 -0.006 0.000 1.465 186 Y CB 0.677 39.132 38.460 -0.009 0.000 1.283 186 Y HN 0.720 nan 8.280 nan 0.000 0.563 187 T N 1.966 116.050 114.554 -0.784 0.000 2.894 187 T HA 0.244 4.727 4.350 0.222 0.000 0.309 187 T C 0.270 174.565 174.700 -0.675 0.000 1.208 187 T CA -0.923 60.858 62.100 -0.532 0.000 1.016 187 T CB 1.781 70.508 68.868 -0.235 0.000 1.192 187 T HN 0.762 nan 8.240 nan 0.000 0.491 188 Q N 0.128 119.725 119.800 -0.339 0.000 2.077 188 Q HA -0.089 4.384 4.340 0.222 0.000 0.206 188 Q C 1.577 177.477 176.000 -0.167 0.000 0.989 188 Q CA 1.510 57.194 55.803 -0.199 0.000 0.853 188 Q CB -0.206 28.493 28.738 -0.064 0.000 0.907 188 Q HN 0.582 nan 8.270 nan 0.000 0.418 189 M N -0.022 119.495 119.600 -0.138 0.000 2.556 189 M HA 0.035 4.648 4.480 0.222 0.000 0.245 189 M C -0.215 176.029 176.300 -0.093 0.000 1.128 189 M CA 0.419 55.666 55.300 -0.087 0.000 1.069 189 M CB -0.252 32.317 32.600 -0.051 0.000 1.469 189 M HN 0.161 nan 8.290 nan 0.000 0.494 190 N N 1.803 120.409 118.700 -0.157 0.000 2.771 190 N HA -0.141 4.732 4.740 0.222 0.000 0.249 190 N C -0.071 175.402 175.510 -0.062 0.000 1.069 190 N CA 0.676 53.652 53.050 -0.124 0.000 0.688 190 N CB -1.250 37.193 38.487 -0.073 0.000 0.928 190 N HN 0.374 nan 8.380 nan 0.000 0.551 191 D N -0.132 120.229 120.400 -0.064 0.000 2.178 191 D HA -0.075 4.698 4.640 0.222 0.000 0.202 191 D C 0.643 176.940 176.300 -0.005 0.000 0.974 191 D CA 0.918 54.901 54.000 -0.027 0.000 0.841 191 D CB 0.021 40.799 40.800 -0.036 0.000 0.953 191 D HN 0.406 nan 8.370 nan 0.000 0.478 192 N N 1.162 119.853 118.700 -0.015 0.000 2.558 192 N HA 0.053 4.926 4.740 0.222 0.000 0.281 192 N C 1.086 176.612 175.510 0.028 0.000 1.219 192 N CA -0.040 53.016 53.050 0.010 0.000 0.942 192 N CB 0.564 39.049 38.487 -0.002 0.000 1.241 192 N HN 0.422 nan 8.380 nan 0.000 0.511 193 R N -0.971 119.550 120.500 0.036 0.000 2.312 193 R HA 0.136 4.609 4.340 0.222 0.000 0.205 193 R C 1.397 177.703 176.300 0.009 0.000 0.904 193 R CA -0.060 56.048 56.100 0.013 0.000 1.052 193 R CB -0.327 29.968 30.300 -0.009 0.000 1.014 193 R HN 0.208 nan 8.270 nan 0.000 0.503 194 H N 1.426 120.482 119.070 -0.025 0.000 2.289 194 H HA -0.087 4.598 4.556 0.214 0.000 0.296 194 H C 1.896 177.218 175.328 -0.011 0.000 1.091 194 H CA 2.521 58.566 56.048 -0.006 0.000 1.274 194 H CB -0.056 29.726 29.762 0.035 0.000 1.364 194 H HN 0.441 nan 8.280 nan 0.000 0.490 195 G N -0.774 108.104 108.800 0.130 0.000 2.418 195 G HA2 -0.246 3.847 3.960 0.222 0.000 0.217 195 G HA3 -0.246 3.847 3.960 0.222 0.000 0.217 195 G C 1.820 176.720 174.900 0.001 0.000 1.158 195 G CA 1.298 46.448 45.100 0.083 0.000 0.771 195 G HN 0.392 nan 8.290 nan 0.000 0.545 196 T N 0.571 115.109 114.554 -0.026 0.000 2.746 196 T HA -0.076 4.407 4.350 0.222 0.000 0.267 196 T C 2.486 177.096 174.700 -0.149 0.000 1.039 196 T CA 1.090 63.149 62.100 -0.068 0.000 1.142 196 T CB -0.132 68.706 68.868 -0.050 0.000 0.866 196 T HN 0.264 nan 8.240 nan 0.000 0.444 197 R N 0.144 120.504 120.500 -0.233 0.000 2.096 197 R HA -0.040 4.433 4.340 0.222 0.000 0.235 197 R C 2.743 178.884 176.300 -0.266 0.000 1.127 197 R CA 1.338 57.201 56.100 -0.395 0.000 0.968 197 R CB -0.739 29.043 30.300 -0.863 0.000 0.861 197 R HN 0.389 nan 8.270 nan 0.000 0.440 198 C N 0.107 119.308 119.300 -0.165 0.000 2.440 198 C HA -0.004 4.589 4.460 0.222 0.000 0.278 198 C C 2.940 177.922 174.990 -0.013 0.000 1.295 198 C CA 0.585 59.584 59.018 -0.032 0.000 1.738 198 C CB -0.920 26.822 27.740 0.003 0.000 1.987 198 C HN 0.581 nan 8.230 nan 0.000 0.492 199 A N 1.155 123.963 122.820 -0.021 0.000 1.865 199 A HA -0.019 4.435 4.320 0.222 0.000 0.217 199 A C 2.441 180.022 177.584 -0.005 0.000 1.191 199 A CA 2.257 54.295 52.037 0.003 0.000 0.623 199 A CB -1.420 17.586 19.000 0.010 0.000 0.826 199 A HN 0.542 nan 8.150 nan 0.000 0.444 200 G N -0.793 107.976 108.800 -0.051 0.000 2.442 200 G HA2 -0.241 3.852 3.960 0.222 0.000 0.219 200 G HA3 -0.241 3.852 3.960 0.222 0.000 0.219 200 G C 1.414 176.332 174.900 0.031 0.000 1.141 200 G CA 1.185 46.260 45.100 -0.041 0.000 0.763 200 G HN 0.650 nan 8.290 nan 0.000 0.554 201 E N -0.512 119.711 120.200 0.039 0.000 2.150 201 E HA -0.030 4.453 4.350 0.222 0.000 0.193 201 E C 2.688 179.348 176.600 0.099 0.000 0.985 201 E CA 0.685 57.136 56.400 0.086 0.000 0.814 201 E CB 0.069 29.807 29.700 0.064 0.000 0.752 201 E HN 0.342 nan 8.360 nan 0.000 0.466 202 V N -0.030 119.925 119.914 0.068 0.000 2.331 202 V HA -0.008 4.245 4.120 0.222 0.000 0.242 202 V C 1.263 177.405 176.094 0.081 0.000 1.034 202 V CA 1.524 63.864 62.300 0.067 0.000 1.027 202 V CB 0.145 31.991 31.823 0.039 0.000 0.667 202 V HN 0.261 nan 8.190 nan 0.000 0.457 203 A N -0.500 122.362 122.820 0.070 0.000 3.045 203 A HA 0.751 5.204 4.320 0.222 0.000 0.244 203 A C 0.326 177.955 177.584 0.075 0.000 0.917 203 A CA 0.231 52.313 52.037 0.075 0.000 1.075 203 A CB -0.165 18.863 19.000 0.046 0.000 1.202 203 A HN 0.427 nan 8.150 nan 0.000 0.486 204 A N 0.218 123.085 122.820 0.079 0.000 2.462 204 A HA 0.516 4.969 4.320 0.222 0.000 0.243 204 A C 0.546 178.162 177.584 0.053 0.000 1.076 204 A CA 0.002 52.069 52.037 0.051 0.000 0.773 204 A CB 0.040 19.065 19.000 0.043 0.000 1.010 204 A HN 0.827 nan 8.150 nan 0.000 0.493 205 V N 1.750 121.683 119.914 0.031 0.000 2.763 205 V HA 0.304 4.557 4.120 0.222 0.000 0.306 205 V C 1.040 177.074 176.094 -0.099 0.000 1.059 205 V CA 0.651 62.947 62.300 -0.008 0.000 1.138 205 V CB 0.427 32.252 31.823 0.003 0.000 0.940 205 V HN 1.110 nan 8.190 nan 0.000 0.489 206 A N 4.095 126.774 122.820 -0.234 0.000 2.306 206 A HA 0.598 5.051 4.320 0.222 0.000 0.330 206 A C 0.728 178.097 177.584 -0.359 0.000 1.146 206 A CA -0.611 51.142 52.037 -0.473 0.000 0.827 206 A CB 0.254 18.535 19.000 -1.200 0.000 1.178 206 A HN 0.994 nan 8.150 nan 0.000 0.490 207 N N 0.638 119.128 118.700 -0.350 0.000 2.727 207 N HA -0.172 4.701 4.740 0.222 0.000 0.249 207 N C -0.056 175.364 175.510 -0.151 0.000 1.048 207 N CA 1.277 54.180 53.050 -0.246 0.000 0.714 207 N CB -0.828 37.498 38.487 -0.268 0.000 0.959 207 N HN 0.865 nan 8.380 nan 0.000 0.544 208 N N -1.431 117.200 118.700 -0.115 0.000 2.238 208 N HA 0.215 5.088 4.740 0.222 0.000 0.235 208 N C 1.033 176.517 175.510 -0.044 0.000 1.209 208 N CA 0.510 53.519 53.050 -0.067 0.000 0.879 208 N CB 0.102 38.560 38.487 -0.048 0.000 1.136 208 N HN 0.314 nan 8.380 nan 0.000 0.517 209 G N -0.136 108.635 108.800 -0.049 0.000 2.187 209 G HA2 -0.249 3.844 3.960 0.222 0.000 0.261 209 G HA3 -0.249 3.844 3.960 0.222 0.000 0.261 209 G C -0.521 174.376 174.900 -0.005 0.000 1.000 209 G CA 0.752 45.837 45.100 -0.025 0.000 0.718 209 G HN 0.341 nan 8.290 nan 0.000 0.519 210 V N -0.511 119.403 119.914 0.001 0.000 2.540 210 V HA 0.633 4.886 4.120 0.222 0.000 0.302 210 V C 1.552 177.676 176.094 0.049 0.000 1.035 210 V CA -0.341 61.977 62.300 0.030 0.000 0.873 210 V CB 0.755 32.603 31.823 0.042 0.000 0.992 210 V HN 1.147 nan 8.190 nan 0.000 0.428 211 c N 3.735 122.376 118.600 0.068 0.000 0.169 211 c HA -0.229 4.475 4.570 0.222 0.000 0.017 211 c C 1.684 175.825 174.090 0.085 0.000 0.171 211 c CA 1.731 58.110 56.329 0.084 0.000 0.499 211 c CB -1.182 41.389 42.510 0.103 0.000 3.212 211 c HN 1.380 nan 8.230 nan 0.000 1.118 212 G N -1.052 107.806 108.800 0.097 0.000 3.175 212 G HA2 0.712 4.805 3.960 0.222 0.000 0.153 212 G HA3 0.712 4.805 3.960 0.222 0.000 0.153 212 G C -0.508 174.449 174.900 0.095 0.000 1.216 212 G CA 0.644 45.824 45.100 0.133 0.000 0.943 212 G HN 2.153 nan 8.290 nan 0.000 0.611 213 V N -2.819 117.188 119.914 0.156 0.000 3.114 213 V HA 0.911 5.164 4.120 0.222 0.000 0.308 213 V C 0.180 176.416 176.094 0.237 0.000 1.168 213 V CA -0.140 62.225 62.300 0.107 0.000 1.015 213 V CB 1.412 33.199 31.823 -0.061 0.000 1.050 213 V HN 1.306 nan 8.190 nan 0.000 0.433 214 G N 0.471 109.414 108.800 0.237 0.000 2.502 214 G HA2 0.487 4.580 3.960 0.222 0.000 0.305 214 G HA3 0.487 4.580 3.960 0.222 0.000 0.305 214 G C 0.656 175.794 174.900 0.397 0.000 1.190 214 G CA -0.048 45.210 45.100 0.263 0.000 0.933 214 G HN 1.108 nan 8.290 nan 0.000 0.503 215 V N 0.924 121.044 119.914 0.343 0.000 2.332 215 V HA -0.076 4.177 4.120 0.222 0.000 0.248 215 V C 2.145 178.458 176.094 0.366 0.000 1.055 215 V CA 2.283 64.822 62.300 0.399 0.000 1.038 215 V CB -0.558 31.387 31.823 0.204 0.000 0.651 215 V HN 0.812 nan 8.190 nan 0.000 0.450 216 A N -0.590 122.324 122.820 0.157 0.000 3.056 216 A HA 0.450 4.904 4.320 0.222 0.000 0.328 216 A C 0.695 178.242 177.584 -0.062 0.000 1.233 216 A CA -0.548 51.483 52.037 -0.009 0.000 0.965 216 A CB -0.513 18.483 19.000 -0.008 0.000 1.123 216 A HN 0.594 nan 8.150 nan 0.000 0.502 217 Y N -0.788 119.476 120.300 -0.059 0.000 2.680 217 Y HA 0.041 4.724 4.550 0.222 0.000 0.303 217 Y C 0.871 176.665 175.900 -0.177 0.000 1.166 217 Y CA 0.612 58.631 58.100 -0.135 0.000 1.344 217 Y CB -0.453 37.867 38.460 -0.234 0.000 1.002 217 Y HN 0.448 nan 8.280 nan 0.000 0.537 218 N N 0.366 118.949 118.700 -0.195 0.000 2.177 218 N HA 0.330 5.203 4.740 0.222 0.000 0.218 218 N C 0.172 175.564 175.510 -0.197 0.000 1.182 218 N CA 0.449 53.339 53.050 -0.267 0.000 0.882 218 N CB 0.609 38.649 38.487 -0.745 0.000 1.052 218 N HN 0.396 nan 8.380 nan 0.000 0.519 219 A N 0.816 123.569 122.820 -0.112 0.000 2.272 219 A HA 0.537 4.990 4.320 0.222 0.000 0.275 219 A C 0.362 177.935 177.584 -0.018 0.000 1.096 219 A CA -0.346 51.658 52.037 -0.055 0.000 0.822 219 A CB 0.827 19.802 19.000 -0.041 0.000 1.088 219 A HN -0.004 nan 8.150 nan 0.000 0.495 220 R N -0.159 120.334 120.500 -0.012 0.000 2.349 220 R HA 0.504 4.977 4.340 0.222 0.000 0.299 220 R C -1.314 174.970 176.300 -0.026 0.000 1.027 220 R CA -0.428 55.664 56.100 -0.014 0.000 0.958 220 R CB 0.942 31.229 30.300 -0.023 0.000 1.047 220 R HN 0.570 nan 8.270 nan 0.000 0.468 221 I N 0.657 121.220 120.570 -0.011 0.000 2.465 221 I HA 0.556 4.859 4.170 0.222 0.000 0.291 221 I C -0.214 175.900 176.117 -0.005 0.000 1.014 221 I CA -0.253 61.051 61.300 0.006 0.000 1.093 221 I CB 2.018 40.050 38.000 0.054 0.000 1.267 221 I HN 0.689 nan 8.210 nan 0.000 0.431 222 G N 3.877 112.673 108.800 -0.007 0.000 2.714 222 G HA2 0.809 4.902 3.960 0.222 0.000 0.292 222 G HA3 0.809 4.902 3.960 0.222 0.000 0.292 222 G C -1.178 173.789 174.900 0.112 0.000 1.308 222 G CA -0.729 44.380 45.100 0.014 0.000 0.964 222 G HN 0.898 nan 8.290 nan 0.000 0.484 223 G N -1.520 107.386 108.800 0.177 0.000 2.682 223 G HA2 0.557 4.650 3.960 0.222 0.000 0.300 223 G HA3 0.557 4.650 3.960 0.222 0.000 0.300 223 G C -1.643 173.362 174.900 0.174 0.000 1.391 223 G CA -0.398 44.802 45.100 0.166 0.000 0.990 223 G HN 0.843 nan 8.290 nan 0.000 0.501 224 V N 1.753 121.768 119.914 0.169 0.000 2.378 224 V HA 0.436 4.689 4.120 0.222 0.000 0.288 224 V C 0.444 176.614 176.094 0.126 0.000 1.016 224 V CA -0.860 61.550 62.300 0.182 0.000 0.840 224 V CB 1.338 33.290 31.823 0.215 0.000 0.994 224 V HN 0.774 nan 8.190 nan 0.000 0.431 225 R N 5.149 125.708 120.500 0.098 0.000 2.248 225 R HA 0.371 4.844 4.340 0.222 0.000 0.337 225 R C 0.450 176.765 176.300 0.025 0.000 1.085 225 R CA -0.116 56.010 56.100 0.043 0.000 0.934 225 R CB 0.332 30.645 30.300 0.021 0.000 1.034 225 R HN 0.810 nan 8.270 nan 0.000 0.465 226 M N 2.619 122.198 119.600 -0.034 0.000 2.215 226 M HA 0.188 4.801 4.480 0.222 0.000 0.391 226 M C -0.347 175.830 176.300 -0.204 0.000 0.914 226 M CA 0.384 55.631 55.300 -0.088 0.000 1.035 226 M CB 0.622 33.180 32.600 -0.071 0.000 1.944 226 M HN 0.387 nan 8.290 nan 0.000 0.656 227 L N -0.211 120.878 121.223 -0.222 0.000 2.590 227 L HA 0.285 4.758 4.340 0.222 0.000 0.227 227 L C 0.484 177.256 176.870 -0.165 0.000 1.099 227 L CA 0.089 54.762 54.840 -0.279 0.000 0.872 227 L CB 0.197 42.057 42.059 -0.332 0.000 1.088 227 L HN 0.235 nan 8.230 nan 0.000 0.479 228 D N 1.430 121.766 120.400 -0.107 0.000 2.845 228 D HA 0.393 5.166 4.640 0.222 0.000 0.235 228 D C 0.366 176.631 176.300 -0.059 0.000 1.158 228 D CA 0.424 54.382 54.000 -0.070 0.000 0.990 228 D CB -0.085 40.689 40.800 -0.044 0.000 1.094 228 D HN 0.314 nan 8.370 nan 0.000 0.486 229 G N 0.503 109.262 108.800 -0.069 0.000 2.344 229 G HA2 0.007 4.100 3.960 0.222 0.000 0.282 229 G HA3 0.007 4.100 3.960 0.222 0.000 0.282 229 G C -1.227 173.637 174.900 -0.060 0.000 1.281 229 G CA -0.935 44.134 45.100 -0.052 0.000 0.877 229 G HN 0.168 nan 8.290 nan 0.000 0.494 230 E N 0.008 120.182 120.200 -0.044 0.000 2.265 230 E HA 0.383 4.867 4.350 0.222 0.000 0.272 230 E C -0.169 176.396 176.600 -0.058 0.000 1.067 230 E CA -0.366 56.009 56.400 -0.042 0.000 0.900 230 E CB 0.837 30.523 29.700 -0.023 0.000 1.017 230 E HN 0.263 nan 8.360 nan 0.000 0.431 231 V N 6.468 126.334 119.914 -0.080 0.000 2.223 231 V HA 0.046 4.299 4.120 0.222 0.000 0.249 231 V C 0.729 176.792 176.094 -0.051 0.000 1.233 231 V CA -0.208 62.025 62.300 -0.111 0.000 1.131 231 V CB -0.347 31.355 31.823 -0.201 0.000 1.298 231 V HN 0.760 nan 8.190 nan 0.000 0.498 232 T N -0.713 113.823 114.554 -0.029 0.000 2.816 232 T HA 0.152 4.635 4.350 0.222 0.000 0.282 232 T C 1.052 175.763 174.700 0.019 0.000 0.993 232 T CA -0.159 61.942 62.100 0.002 0.000 0.994 232 T CB 1.275 70.144 68.868 0.001 0.000 1.025 232 T HN 0.438 nan 8.240 nan 0.000 0.529 233 D N 0.719 121.140 120.400 0.034 0.000 2.097 233 D HA -0.092 4.681 4.640 0.222 0.000 0.195 233 D C 2.299 178.611 176.300 0.020 0.000 0.989 233 D CA 1.820 55.847 54.000 0.044 0.000 0.827 233 D CB -0.697 40.125 40.800 0.038 0.000 0.966 233 D HN 0.711 nan 8.370 nan 0.000 0.456 234 A N -0.122 122.703 122.820 0.008 0.000 1.940 234 A HA -0.122 4.331 4.320 0.222 0.000 0.219 234 A C 2.568 180.149 177.584 -0.005 0.000 1.176 234 A CA 1.623 53.658 52.037 -0.003 0.000 0.631 234 A CB -0.764 18.235 19.000 -0.001 0.000 0.814 234 A HN 0.228 nan 8.150 nan 0.000 0.446 235 V N 0.097 120.009 119.914 -0.003 0.000 2.358 235 V HA -0.252 4.001 4.120 0.222 0.000 0.246 235 V C 2.407 178.499 176.094 -0.004 0.000 1.047 235 V CA 2.253 64.548 62.300 -0.008 0.000 1.035 235 V CB -0.780 31.025 31.823 -0.031 0.000 0.658 235 V HN 0.656 nan 8.190 nan 0.000 0.452 236 E N 0.385 120.592 120.200 0.011 0.000 2.072 236 E HA -0.163 4.320 4.350 0.222 0.000 0.191 236 E C 2.327 178.930 176.600 0.005 0.000 0.985 236 E CA 1.228 57.668 56.400 0.067 0.000 0.801 236 E CB -0.335 29.473 29.700 0.180 0.000 0.750 236 E HN 0.591 nan 8.360 nan 0.000 0.452 237 A N 1.740 124.540 122.820 -0.033 0.000 1.902 237 A HA -0.192 4.261 4.320 0.222 0.000 0.217 237 A C 2.089 179.630 177.584 -0.073 0.000 1.181 237 A CA 1.276 53.262 52.037 -0.085 0.000 0.623 237 A CB -0.368 18.594 19.000 -0.065 0.000 0.818 237 A HN 0.078 nan 8.150 nan 0.000 0.443 238 R N -0.412 120.063 120.500 -0.042 0.000 2.115 238 R HA -0.022 4.451 4.340 0.222 0.000 0.226 238 R C 2.430 178.720 176.300 -0.017 0.000 1.100 238 R CA 1.383 57.455 56.100 -0.047 0.000 0.980 238 R CB -0.296 29.975 30.300 -0.048 0.000 0.875 238 R HN 0.501 nan 8.270 nan 0.000 0.445 239 S N 1.305 117.021 115.700 0.026 0.000 2.345 239 S HA -0.012 4.591 4.470 0.222 0.000 0.219 239 S C 1.976 176.634 174.600 0.096 0.000 1.031 239 S CA 0.866 59.127 58.200 0.101 0.000 0.984 239 S CB -0.121 63.162 63.200 0.139 0.000 0.874 239 S HN 0.178 nan 8.310 nan 0.000 0.451 240 L N 0.811 122.019 121.223 -0.025 0.000 2.191 240 L HA -0.024 4.449 4.340 0.222 0.000 0.212 240 L C 2.104 178.833 176.870 -0.236 0.000 1.103 240 L CA 1.023 55.738 54.840 -0.208 0.000 0.769 240 L CB -0.524 41.246 42.059 -0.482 0.000 0.908 240 L HN 0.395 nan 8.230 nan 0.000 0.438 241 G N -0.515 108.225 108.800 -0.099 0.000 3.523 241 G HA2 0.218 4.312 3.960 0.222 0.000 0.270 241 G HA3 0.218 4.312 3.960 0.222 0.000 0.270 241 G C 0.008 174.935 174.900 0.045 0.000 1.134 241 G CA -0.357 44.722 45.100 -0.035 0.000 0.825 241 G HN 0.039 nan 8.290 nan 0.000 0.534 242 L N 0.508 121.813 121.223 0.136 0.000 2.361 242 L HA 0.381 4.854 4.340 0.222 0.000 0.278 242 L C 0.148 177.137 176.870 0.199 0.000 1.113 242 L CA -0.280 54.642 54.840 0.137 0.000 0.849 242 L CB -0.159 42.000 42.059 0.168 0.000 1.155 242 L HN 0.256 nan 8.230 nan 0.000 0.452 243 N N 3.572 122.329 118.700 0.094 0.000 2.688 243 N HA -0.186 4.687 4.740 0.222 0.000 0.258 243 N C -2.073 173.510 175.510 0.122 0.000 1.016 243 N CA 0.815 53.921 53.050 0.093 0.000 0.747 243 N CB -0.706 37.846 38.487 0.108 0.000 0.895 243 N HN 0.551 nan 8.380 nan 0.000 0.543 244 P HA -0.144 nan 4.420 nan 0.000 0.218 244 P C 0.626 177.959 177.300 0.054 0.000 1.146 244 P CA 1.147 64.325 63.100 0.130 0.000 0.813 244 P CB 0.209 31.959 31.700 0.083 0.000 0.778 245 N N -2.624 116.097 118.700 0.035 0.000 2.280 245 N HA -0.029 4.844 4.740 0.222 0.000 0.192 245 N C 1.147 176.647 175.510 -0.017 0.000 1.109 245 N CA 0.411 53.467 53.050 0.010 0.000 0.855 245 N CB -0.165 38.339 38.487 0.029 0.000 0.974 245 N HN 0.312 nan 8.380 nan 0.000 0.482 246 H N -0.229 118.749 119.070 -0.154 0.000 2.501 246 H HA 0.385 5.075 4.556 0.223 0.000 0.281 246 H C 0.174 175.262 175.328 -0.400 0.000 0.988 246 H CA 0.156 56.073 56.048 -0.219 0.000 1.232 246 H CB 0.490 30.176 29.762 -0.128 0.000 1.455 246 H HN -0.108 nan 8.280 nan 0.000 0.501 247 I N 1.687 122.010 120.570 -0.411 0.000 2.371 247 I HA 0.081 4.384 4.170 0.222 0.000 0.290 247 I C 0.510 176.296 176.117 -0.552 0.000 1.028 247 I CA 0.037 61.001 61.300 -0.560 0.000 1.345 247 I CB 1.293 38.943 38.000 -0.583 0.000 1.407 247 I HN 0.438 nan 8.210 nan 0.000 0.501 248 H N 5.353 124.252 119.070 -0.285 0.000 2.451 248 H HA 0.351 5.038 4.556 0.219 0.000 0.294 248 H C -0.108 175.114 175.328 -0.177 0.000 1.028 248 H CA 0.594 56.539 56.048 -0.172 0.000 1.349 248 H CB 0.323 30.010 29.762 -0.126 0.000 1.444 248 H HN 0.384 nan 8.280 nan 0.000 0.538 249 I N 0.710 121.203 120.570 -0.128 0.000 2.498 249 I HA 0.200 4.503 4.170 0.222 0.000 0.290 249 I C -1.349 174.644 176.117 -0.206 0.000 1.032 249 I CA -0.889 60.356 61.300 -0.092 0.000 1.073 249 I CB 1.916 39.906 38.000 -0.017 0.000 1.251 249 I HN 0.032 nan 8.210 nan 0.000 0.426 250 Y N 3.579 123.882 120.300 0.006 0.000 2.341 250 Y HA 0.465 5.143 4.550 0.212 0.000 0.337 250 Y C 0.422 176.376 175.900 0.089 0.000 1.014 250 Y CA -0.577 57.582 58.100 0.097 0.000 1.111 250 Y CB 2.045 40.665 38.460 0.265 0.000 1.194 250 Y HN 0.415 nan 8.280 nan 0.000 0.462 251 S N 2.661 118.452 115.700 0.150 0.000 2.530 251 S HA 0.825 5.428 4.470 0.222 0.000 0.322 251 S C -0.908 173.612 174.600 -0.133 0.000 1.085 251 S CA -0.509 57.697 58.200 0.010 0.000 1.096 251 S CB 0.114 63.319 63.200 0.009 0.000 0.988 251 S HN 0.746 nan 8.310 nan 0.000 0.466 252 A N 3.980 126.490 122.820 -0.517 0.000 2.285 252 A HA 0.629 5.082 4.320 0.222 0.000 0.310 252 A C -0.018 176.893 177.584 -1.122 0.000 1.266 252 A CA -0.594 50.813 52.037 -1.049 0.000 0.832 252 A CB 0.900 18.490 19.000 -2.350 0.000 1.163 252 A HN 0.651 nan 8.150 nan 0.000 0.499 253 S N 4.544 119.982 115.700 -0.436 0.000 2.912 253 S HA 0.471 5.074 4.470 0.222 0.000 0.184 253 S C -0.602 174.033 174.600 0.058 0.000 1.390 253 S CA -0.504 57.610 58.200 -0.145 0.000 1.088 253 S CB -0.687 62.608 63.200 0.158 0.000 1.284 253 S HN 0.769 nan 8.310 nan 0.000 0.502 254 W N -0.664 120.565 121.300 -0.119 0.000 2.937 254 W HA 0.699 5.535 4.660 0.294 0.000 0.360 254 W C -0.310 176.301 176.519 0.154 0.000 1.215 254 W CA -1.030 56.297 57.345 -0.031 0.000 1.183 254 W CB 0.570 29.969 29.460 -0.102 0.000 1.458 254 W HN 0.386 nan 8.180 nan 0.000 0.574 255 G N 0.343 109.434 108.800 0.485 0.000 2.325 255 G HA2 0.497 4.590 3.960 0.222 0.000 0.295 255 G HA3 0.497 4.590 3.960 0.222 0.000 0.295 255 G C -3.299 171.748 174.900 0.244 0.000 1.274 255 G CA -0.963 44.317 45.100 0.299 0.000 0.857 255 G HN 0.278 nan 8.290 nan 0.000 0.499 256 P HA 0.301 nan 4.420 nan 0.000 0.271 256 P C -0.052 177.329 177.300 0.135 0.000 1.233 256 P CA -0.323 62.888 63.100 0.186 0.000 0.789 256 P CB 0.509 32.334 31.700 0.208 0.000 0.951 257 E N 0.913 121.172 120.200 0.099 0.000 2.568 257 E HA -0.106 4.378 4.350 0.222 0.000 0.262 257 E C -0.415 176.230 176.600 0.075 0.000 0.961 257 E CA 0.283 56.727 56.400 0.074 0.000 0.945 257 E CB 0.039 29.771 29.700 0.053 0.000 0.924 257 E HN 0.272 nan 8.360 nan 0.000 0.467 258 D N 4.254 124.698 120.400 0.072 0.000 3.168 258 D HA 0.000 4.773 4.640 0.222 0.000 0.255 258 D C -0.201 176.136 176.300 0.061 0.000 1.314 258 D CA 0.029 54.073 54.000 0.074 0.000 0.900 258 D CB 0.198 41.046 40.800 0.079 0.000 1.072 258 D HN 0.456 nan 8.370 nan 0.000 0.487 259 D N -1.147 119.281 120.400 0.046 0.000 2.339 259 D HA 0.061 4.834 4.640 0.222 0.000 0.217 259 D C 1.548 177.869 176.300 0.035 0.000 1.050 259 D CA 0.049 54.061 54.000 0.020 0.000 0.856 259 D CB 0.025 40.830 40.800 0.008 0.000 0.922 259 D HN 0.186 nan 8.370 nan 0.000 0.518 260 G N 0.695 109.536 108.800 0.068 0.000 2.143 260 G HA2 -0.362 3.731 3.960 0.222 0.000 0.248 260 G HA3 -0.362 3.731 3.960 0.222 0.000 0.248 260 G C 0.837 175.783 174.900 0.077 0.000 0.991 260 G CA 0.640 45.801 45.100 0.101 0.000 0.689 260 G HN 0.492 nan 8.290 nan 0.000 0.522 261 K N -0.864 119.563 120.400 0.045 0.000 2.502 261 K HA 0.210 4.663 4.320 0.222 0.000 0.211 261 K C 1.026 177.614 176.600 -0.020 0.000 1.259 261 K CA 0.659 56.957 56.287 0.018 0.000 0.983 261 K CB 1.052 33.580 32.500 0.046 0.000 1.054 261 K HN 0.395 nan 8.250 nan 0.000 0.572 262 T N -0.181 114.364 114.554 -0.015 0.000 2.902 262 T HA 0.470 4.953 4.350 0.222 0.000 0.283 262 T C -0.560 174.082 174.700 -0.096 0.000 1.009 262 T CA -0.588 61.485 62.100 -0.044 0.000 1.051 262 T CB 1.413 70.280 68.868 -0.003 0.000 0.999 262 T HN -0.192 nan 8.240 nan 0.000 0.474 263 V N 4.489 124.294 119.914 -0.181 0.000 2.380 263 V HA 0.596 4.849 4.120 0.222 0.000 0.286 263 V C -0.730 175.196 176.094 -0.280 0.000 1.015 263 V CA -0.627 61.447 62.300 -0.375 0.000 0.834 263 V CB 1.174 32.643 31.823 -0.590 0.000 1.009 263 V HN 1.050 nan 8.190 nan 0.000 0.428 264 D N 2.527 122.859 120.400 -0.114 0.000 2.609 264 D HA 0.811 5.584 4.640 0.222 0.000 0.239 264 D C -0.151 176.344 176.300 0.326 0.000 1.229 264 D CA 0.220 54.287 54.000 0.111 0.000 0.808 264 D CB 2.665 43.546 40.800 0.135 0.000 1.448 264 D HN 0.723 nan 8.370 nan 0.000 0.433 265 G N 0.273 109.248 108.800 0.292 0.000 2.682 265 G HA2 0.609 4.702 3.960 0.222 0.000 0.303 265 G HA3 0.609 4.702 3.960 0.222 0.000 0.303 265 G C -2.804 172.008 174.900 -0.145 0.000 1.341 265 G CA -0.973 44.149 45.100 0.035 0.000 0.784 265 G HN 0.410 nan 8.290 nan 0.000 0.497 266 P HA 0.395 nan 4.420 nan 0.000 0.269 266 P C 0.167 177.439 177.300 -0.047 0.000 1.209 266 P CA 0.304 63.253 63.100 -0.251 0.000 0.776 266 P CB 1.404 32.931 31.700 -0.287 0.000 0.876 267 A N 3.647 126.490 122.820 0.038 0.000 2.529 267 A HA 0.287 4.740 4.320 0.222 0.000 0.269 267 A C 1.823 179.415 177.584 0.015 0.000 1.509 267 A CA -0.237 51.822 52.037 0.036 0.000 0.857 267 A CB -0.114 18.921 19.000 0.057 0.000 1.531 267 A HN 0.385 nan 8.150 nan 0.000 0.541 268 R N -1.289 119.221 120.500 0.017 0.000 2.097 268 R HA -0.136 4.337 4.340 0.222 0.000 0.236 268 R C 1.991 178.291 176.300 -0.000 0.000 1.135 268 R CA 2.246 58.352 56.100 0.010 0.000 0.934 268 R CB -0.762 29.544 30.300 0.011 0.000 0.846 268 R HN 0.660 nan 8.270 nan 0.000 0.431 269 L N -0.706 120.514 121.223 -0.005 0.000 2.093 269 L HA -0.087 4.386 4.340 0.222 0.000 0.208 269 L C 2.462 179.300 176.870 -0.053 0.000 1.085 269 L CA 1.157 55.983 54.840 -0.024 0.000 0.755 269 L CB -0.525 41.522 42.059 -0.021 0.000 0.904 269 L HN 0.322 nan 8.230 nan 0.000 0.435 270 A N -0.101 122.690 122.820 -0.050 0.000 1.930 270 A HA -0.229 4.224 4.320 0.222 0.000 0.217 270 A C 2.165 179.665 177.584 -0.139 0.000 1.175 270 A CA 1.667 53.628 52.037 -0.127 0.000 0.627 270 A CB -0.366 18.612 19.000 -0.037 0.000 0.815 270 A HN 0.354 nan 8.150 nan 0.000 0.443 271 E N 0.394 120.583 120.200 -0.018 0.000 2.077 271 E HA -0.184 4.299 4.350 0.222 0.000 0.193 271 E C 1.869 178.492 176.600 0.038 0.000 0.989 271 E CA 1.769 58.205 56.400 0.060 0.000 0.800 271 E CB -0.242 29.476 29.700 0.029 0.000 0.746 271 E HN 0.709 nan 8.360 nan 0.000 0.452 272 E N -0.331 119.869 120.200 -0.000 0.000 2.051 272 E HA -0.193 4.290 4.350 0.222 0.000 0.192 272 E C 2.051 178.619 176.600 -0.054 0.000 0.991 272 E CA 0.917 57.315 56.400 -0.004 0.000 0.799 272 E CB -0.233 29.454 29.700 -0.022 0.000 0.748 272 E HN 0.381 nan 8.360 nan 0.000 0.449 273 A N 0.830 123.577 122.820 -0.122 0.000 1.908 273 A HA -0.204 4.249 4.320 0.222 0.000 0.218 273 A C 1.969 179.428 177.584 -0.208 0.000 1.181 273 A CA 1.278 53.203 52.037 -0.186 0.000 0.627 273 A CB -0.948 17.883 19.000 -0.281 0.000 0.818 273 A HN 0.231 nan 8.150 nan 0.000 0.445 274 F N -1.614 118.143 119.950 -0.321 0.000 2.095 274 F HA -0.163 4.501 4.527 0.229 0.000 0.298 274 F C 2.247 177.676 175.800 -0.618 0.000 1.104 274 F CA 1.579 59.250 58.000 -0.548 0.000 1.232 274 F CB -0.322 38.347 39.000 -0.552 0.000 0.987 274 F HN 0.341 nan 8.300 nan 0.000 0.475 275 F N 0.511 120.098 119.950 -0.605 0.000 2.146 275 F HA -0.208 4.455 4.527 0.227 0.000 0.298 275 F C 2.740 178.330 175.800 -0.351 0.000 1.096 275 F CA 0.788 58.376 58.000 -0.686 0.000 1.275 275 F CB -0.184 38.574 39.000 -0.403 0.000 1.008 275 F HN -0.181 nan 8.300 nan 0.000 0.480 276 R N 0.469 120.932 120.500 -0.062 0.000 2.083 276 R HA -0.152 4.321 4.340 0.222 0.000 0.237 276 R C 2.351 178.621 176.300 -0.049 0.000 1.137 276 R CA 1.637 57.675 56.100 -0.104 0.000 0.951 276 R CB -0.915 29.335 30.300 -0.084 0.000 0.851 276 R HN 0.378 nan 8.270 nan 0.000 0.434 277 G N -0.346 108.462 108.800 0.013 0.000 2.408 277 G HA2 -0.182 3.911 3.960 0.222 0.000 0.217 277 G HA3 -0.182 3.911 3.960 0.222 0.000 0.217 277 G C 1.342 176.240 174.900 -0.004 0.000 1.150 277 G CA 0.553 45.700 45.100 0.078 0.000 0.776 277 G HN 0.256 nan 8.290 nan 0.000 0.542 278 V N 0.645 120.503 119.914 -0.093 0.000 2.809 278 V HA -0.075 4.178 4.120 0.222 0.000 0.256 278 V C 2.864 178.845 176.094 -0.188 0.000 1.080 278 V CA 2.084 64.137 62.300 -0.412 0.000 1.102 278 V CB 0.242 31.507 31.823 -0.930 0.000 0.705 278 V HN 0.363 nan 8.190 nan 0.000 0.475 279 S N -0.894 114.784 115.700 -0.037 0.000 2.427 279 S HA -0.032 4.571 4.470 0.222 0.000 0.224 279 S C 1.722 176.346 174.600 0.040 0.000 1.047 279 S CA 0.592 58.817 58.200 0.042 0.000 0.953 279 S CB 0.080 63.231 63.200 -0.081 0.000 0.824 279 S HN 0.645 nan 8.310 nan 0.000 0.502 280 Q N 0.566 120.369 119.800 0.004 0.000 2.350 280 Q HA 0.272 4.745 4.340 0.222 0.000 0.225 280 Q C 1.055 177.076 176.000 0.035 0.000 0.878 280 Q CA -0.060 55.752 55.803 0.016 0.000 0.935 280 Q CB 0.272 29.002 28.738 -0.013 0.000 1.099 280 Q HN 0.438 nan 8.270 nan 0.000 0.527 281 G N 0.935 109.757 108.800 0.036 0.000 2.630 281 G HA2 0.026 4.119 3.960 0.222 0.000 0.236 281 G HA3 0.026 4.119 3.960 0.222 0.000 0.236 281 G C -0.340 174.600 174.900 0.068 0.000 1.248 281 G CA -0.385 44.744 45.100 0.049 0.000 0.844 281 G HN 0.311 nan 8.290 nan 0.000 0.588 282 R N -0.487 120.050 120.500 0.062 0.000 3.251 282 R HA -0.189 4.284 4.340 0.222 0.000 0.249 282 R C 1.445 177.797 176.300 0.087 0.000 0.949 282 R CA 0.761 56.909 56.100 0.081 0.000 0.645 282 R CB -1.624 28.752 30.300 0.126 0.000 1.065 282 R HN 1.995 nan 8.270 nan 0.000 0.452 283 G N -1.385 107.455 108.800 0.066 0.000 2.321 283 G HA2 -0.151 3.942 3.960 0.222 0.000 0.287 283 G HA3 -0.151 3.942 3.960 0.222 0.000 0.287 283 G C 1.002 175.946 174.900 0.073 0.000 1.018 283 G CA 1.095 46.233 45.100 0.063 0.000 0.855 283 G HN 1.469 nan 8.290 nan 0.000 0.507 284 G N -1.903 106.947 108.800 0.083 0.000 2.194 284 G HA2 -0.261 3.832 3.960 0.222 0.000 0.236 284 G HA3 -0.261 3.832 3.960 0.222 0.000 0.236 284 G C 1.148 176.140 174.900 0.154 0.000 0.987 284 G CA 0.691 45.853 45.100 0.103 0.000 0.635 284 G HN 1.147 nan 8.290 nan 0.000 0.520 285 L N 0.855 122.172 121.223 0.157 0.000 2.341 285 L HA 0.444 4.917 4.340 0.222 0.000 0.214 285 L C 1.564 178.617 176.870 0.306 0.000 1.115 285 L CA 0.933 55.895 54.840 0.203 0.000 0.820 285 L CB -0.311 41.844 42.059 0.159 0.000 0.944 285 L HN 1.247 nan 8.230 nan 0.000 0.452 286 G N -0.090 108.850 108.800 0.233 0.000 3.055 286 G HA2 -0.168 3.925 3.960 0.222 0.000 0.686 286 G HA3 -0.168 3.925 3.960 0.222 0.000 0.686 286 G C -0.358 174.602 174.900 0.100 0.000 1.087 286 G CA -0.682 44.534 45.100 0.193 0.000 0.779 286 G HN -0.005 nan 8.290 nan 0.000 0.599 287 S N 0.547 116.211 115.700 -0.060 0.000 2.579 287 S HA 0.458 5.061 4.470 0.222 0.000 0.275 287 S C 0.941 175.355 174.600 -0.311 0.000 1.345 287 S CA 0.068 58.146 58.200 -0.203 0.000 1.031 287 S CB 0.704 63.610 63.200 -0.491 0.000 0.892 287 S HN 0.599 nan 8.310 nan 0.000 0.529 288 I N 2.867 123.317 120.570 -0.201 0.000 2.328 288 I HA 0.304 4.607 4.170 0.222 0.000 0.287 288 I C -1.097 174.989 176.117 -0.051 0.000 1.012 288 I CA -0.198 61.073 61.300 -0.048 0.000 1.195 288 I CB 0.574 38.619 38.000 0.075 0.000 1.350 288 I HN 0.483 nan 8.210 nan 0.000 0.464 289 F N 6.196 126.340 119.950 0.324 0.000 2.361 289 F HA 0.400 5.044 4.527 0.195 0.000 0.364 289 F C 0.124 176.124 175.800 0.334 0.000 1.120 289 F CA -0.909 57.321 58.000 0.382 0.000 1.102 289 F CB 1.137 40.433 39.000 0.492 0.000 1.183 289 F HN 0.058 nan 8.300 nan 0.000 0.476 290 V N 3.793 123.949 119.914 0.403 0.000 2.439 290 V HA 0.253 4.506 4.120 0.222 0.000 0.282 290 V C -0.547 175.671 176.094 0.206 0.000 1.039 290 V CA -0.803 61.651 62.300 0.256 0.000 0.913 290 V CB 1.376 33.275 31.823 0.127 0.000 0.983 290 V HN 0.716 nan 8.190 nan 0.000 0.460 291 W N 2.856 124.189 121.300 0.055 0.000 2.844 291 W HA 0.721 5.388 4.660 0.012 0.000 0.340 291 W C -0.183 176.324 176.519 -0.020 0.000 1.093 291 W CA -1.021 56.315 57.345 -0.015 0.000 1.212 291 W CB 2.374 31.815 29.460 -0.031 0.000 1.422 291 W HN 0.594 nan 8.180 nan 0.000 0.515 292 A N 2.089 124.931 122.820 0.036 0.000 2.362 292 A HA 0.293 4.746 4.320 0.222 0.000 0.276 292 A C 1.120 178.826 177.584 0.204 0.000 1.153 292 A CA 0.333 52.416 52.037 0.077 0.000 0.813 292 A CB 0.672 19.668 19.000 -0.007 0.000 1.081 292 A HN 0.657 nan 8.150 nan 0.000 0.507 293 S N 2.304 118.093 115.700 0.149 0.000 2.474 293 S HA 0.358 4.961 4.470 0.222 0.000 0.235 293 S C 0.961 175.635 174.600 0.124 0.000 0.997 293 S CA 0.667 58.950 58.200 0.137 0.000 0.949 293 S CB -0.559 62.694 63.200 0.088 0.000 0.766 293 S HN 2.569 nan 8.310 nan 0.000 0.517 294 G N 0.432 109.300 108.800 0.113 0.000 2.453 294 G HA2 0.065 4.158 3.960 0.222 0.000 0.665 294 G HA3 0.065 4.158 3.960 0.222 0.000 0.665 294 G C -0.747 174.203 174.900 0.084 0.000 1.411 294 G CA -0.555 44.605 45.100 0.100 0.000 0.889 294 G HN 0.116 nan 8.290 nan 0.000 0.651 295 N N 0.078 118.814 118.700 0.061 0.000 2.275 295 N HA 0.184 5.057 4.740 0.222 0.000 0.236 295 N C 1.575 177.124 175.510 0.065 0.000 1.154 295 N CA 0.565 53.639 53.050 0.040 0.000 0.866 295 N CB 1.286 39.730 38.487 -0.072 0.000 1.093 295 N HN 0.916 nan 8.380 nan 0.000 0.515 296 G N -0.203 108.641 108.800 0.073 0.000 3.327 296 G HA2 0.098 4.191 3.960 0.222 0.000 0.240 296 G HA3 0.098 4.191 3.960 0.222 0.000 0.240 296 G C 1.364 176.304 174.900 0.067 0.000 1.222 296 G CA 0.164 45.314 45.100 0.083 0.000 0.871 296 G HN 0.258 nan 8.290 nan 0.000 0.525 297 G N 1.267 110.092 108.800 0.042 0.000 2.491 297 G HA2 -0.266 3.827 3.960 0.222 0.000 0.218 297 G HA3 -0.266 3.827 3.960 0.222 0.000 0.218 297 G C 1.763 176.637 174.900 -0.043 0.000 1.180 297 G CA 0.504 45.592 45.100 -0.021 0.000 0.774 297 G HN 0.470 nan 8.290 nan 0.000 0.562 298 R N 0.109 120.690 120.500 0.135 0.000 2.200 298 R HA -0.039 4.434 4.340 0.222 0.000 0.234 298 R C 1.709 178.039 176.300 0.050 0.000 1.127 298 R CA 1.068 57.233 56.100 0.109 0.000 0.989 298 R CB 0.051 30.507 30.300 0.260 0.000 0.869 298 R HN 0.288 nan 8.270 nan 0.000 0.459 299 E N -0.571 119.683 120.200 0.090 0.000 2.474 299 E HA -0.002 4.481 4.350 0.222 0.000 0.195 299 E C -0.340 176.442 176.600 0.304 0.000 1.039 299 E CA 0.091 56.619 56.400 0.214 0.000 0.881 299 E CB 0.111 29.876 29.700 0.108 0.000 0.970 299 E HN 0.300 nan 8.360 nan 0.000 0.486 300 H N 0.313 119.470 119.070 0.145 0.000 2.862 300 H HA -0.162 4.528 4.556 0.222 0.000 0.290 300 H C -0.076 175.290 175.328 0.062 0.000 1.211 300 H CA 0.890 56.985 56.048 0.078 0.000 1.140 300 H CB -1.314 28.472 29.762 0.041 0.000 1.341 300 H HN 0.238 nan 8.280 nan 0.000 0.392 301 D N 0.390 120.861 120.400 0.117 0.000 2.368 301 D HA 0.219 4.992 4.640 0.222 0.000 0.240 301 D C 0.168 176.512 176.300 0.074 0.000 1.169 301 D CA 0.290 54.347 54.000 0.096 0.000 0.906 301 D CB 0.943 41.793 40.800 0.083 0.000 1.187 301 D HN 0.222 nan 8.370 nan 0.000 0.435 302 S N 0.752 116.496 115.700 0.074 0.000 2.478 302 S HA 0.262 4.865 4.470 0.222 0.000 0.312 302 S C 1.125 175.778 174.600 0.088 0.000 1.094 302 S CA -0.858 57.384 58.200 0.071 0.000 1.081 302 S CB 0.145 63.390 63.200 0.075 0.000 1.007 302 S HN 0.604 nan 8.310 nan 0.000 0.475 303 c N 3.678 122.326 118.600 0.080 0.000 2.511 303 c HA 0.180 4.883 4.570 0.222 0.000 0.277 303 c C 1.722 175.881 174.090 0.115 0.000 1.451 303 c CA -0.278 56.106 56.329 0.091 0.000 1.735 303 c CB -2.084 40.470 42.510 0.073 0.000 1.704 303 c HN 0.807 nan 8.230 nan 0.000 0.571 304 N N 0.043 118.831 118.700 0.147 0.000 2.467 304 N HA 0.039 4.912 4.740 0.222 0.000 0.184 304 N C 0.879 176.591 175.510 0.337 0.000 1.106 304 N CA 0.553 53.734 53.050 0.218 0.000 0.892 304 N CB -0.311 38.348 38.487 0.287 0.000 0.969 304 N HN 0.597 nan 8.380 nan 0.000 0.454 305 C N 0.040 119.471 119.300 0.219 0.000 2.754 305 C HA 0.201 4.794 4.460 0.222 0.000 0.276 305 C C 0.462 175.545 174.990 0.155 0.000 1.264 305 C CA -0.794 58.270 59.018 0.077 0.000 1.700 305 C CB -1.059 26.678 27.740 -0.005 0.000 1.885 305 C HN 0.235 nan 8.230 nan 0.000 0.607 306 D N 0.267 120.826 120.400 0.265 0.000 2.461 306 D HA 0.259 5.032 4.640 0.222 0.000 0.240 306 D C 1.206 177.632 176.300 0.209 0.000 1.094 306 D CA -0.064 54.082 54.000 0.244 0.000 0.868 306 D CB 1.273 42.172 40.800 0.164 0.000 1.062 306 D HN 0.265 nan 8.370 nan 0.000 0.530 307 G N 2.410 111.363 108.800 0.254 0.000 2.501 307 G HA2 -0.274 3.819 3.960 0.222 0.000 0.220 307 G HA3 -0.274 3.819 3.960 0.222 0.000 0.220 307 G C 0.847 175.440 174.900 -0.511 0.000 1.114 307 G CA 0.824 45.819 45.100 -0.175 0.000 0.757 307 G HN 0.491 nan 8.290 nan 0.000 0.559 308 Y N 1.110 121.174 120.300 -0.394 0.000 2.231 308 Y HA -0.024 4.643 4.550 0.196 0.000 0.294 308 Y C 3.272 178.603 175.900 -0.949 0.000 1.120 308 Y CA 1.525 59.090 58.100 -0.890 0.000 1.141 308 Y CB -0.716 36.942 38.460 -1.337 0.000 1.022 308 Y HN 0.226 nan 8.280 nan 0.000 0.523 309 T N -2.206 112.080 114.554 -0.447 0.000 2.951 309 T HA -0.136 4.347 4.350 0.222 0.000 0.268 309 T C 1.555 176.136 174.700 -0.198 0.000 1.073 309 T CA 1.433 63.388 62.100 -0.241 0.000 1.134 309 T CB -0.525 68.326 68.868 -0.029 0.000 0.884 309 T HN 0.178 nan 8.240 nan 0.000 0.479 310 N N 1.259 119.826 118.700 -0.221 0.000 2.467 310 N HA 0.092 4.965 4.740 0.222 0.000 0.184 310 N C 0.478 175.767 175.510 -0.369 0.000 1.106 310 N CA 0.035 52.953 53.050 -0.221 0.000 0.892 310 N CB -0.144 38.234 38.487 -0.181 0.000 0.969 310 N HN 0.393 nan 8.380 nan 0.000 0.454 311 S N -0.233 115.163 115.700 -0.506 0.000 2.576 311 S HA 0.094 4.697 4.470 0.222 0.000 0.276 311 S C 1.625 175.843 174.600 -0.637 0.000 1.339 311 S CA -0.640 57.150 58.200 -0.684 0.000 1.039 311 S CB 0.220 62.871 63.200 -0.916 0.000 0.902 311 S HN 0.325 nan 8.310 nan 0.000 0.516 312 I N 2.227 122.255 120.570 -0.903 0.000 2.928 312 I HA 0.032 4.335 4.170 0.222 0.000 0.266 312 I C 0.877 176.593 176.117 -0.668 0.000 1.234 312 I CA 0.868 61.596 61.300 -0.954 0.000 1.483 312 I CB -0.418 36.686 38.000 -1.493 0.000 1.097 312 I HN 0.713 nan 8.210 nan 0.000 0.455 313 Y N 2.735 122.737 120.300 -0.496 0.000 2.583 313 Y HA 0.071 4.750 4.550 0.216 0.000 0.293 313 Y C 1.414 177.253 175.900 -0.101 0.000 1.157 313 Y CA 0.204 58.057 58.100 -0.411 0.000 1.315 313 Y CB -0.170 37.903 38.460 -0.645 0.000 1.021 313 Y HN 0.298 nan 8.280 nan 0.000 0.536 314 T N -1.891 112.625 114.554 -0.063 0.000 2.912 314 T HA 0.582 5.065 4.350 0.222 0.000 0.288 314 T C -0.844 173.955 174.700 0.164 0.000 1.030 314 T CA -0.911 61.273 62.100 0.141 0.000 1.020 314 T CB 1.937 70.815 68.868 0.017 0.000 1.056 314 T HN -0.055 nan 8.240 nan 0.000 0.480 315 L N 2.717 124.081 121.223 0.235 0.000 2.270 315 L HA 0.437 4.910 4.340 0.222 0.000 0.286 315 L C 0.719 177.689 176.870 0.166 0.000 1.059 315 L CA -0.226 54.711 54.840 0.160 0.000 0.839 315 L CB 1.167 43.305 42.059 0.131 0.000 1.221 315 L HN 0.831 nan 8.230 nan 0.000 0.431 316 S N 4.542 120.318 115.700 0.126 0.000 2.505 316 S HA 0.506 5.109 4.470 0.222 0.000 0.276 316 S C -0.106 174.556 174.600 0.102 0.000 1.274 316 S CA -0.582 57.700 58.200 0.137 0.000 1.053 316 S CB 0.032 63.283 63.200 0.085 0.000 0.919 316 S HN 0.305 nan 8.310 nan 0.000 0.490 317 I N 4.224 124.858 120.570 0.107 0.000 2.404 317 I HA 0.397 4.700 4.170 0.222 0.000 0.293 317 I C 0.637 176.794 176.117 0.067 0.000 0.992 317 I CA -0.370 60.971 61.300 0.069 0.000 1.149 317 I CB 1.387 39.416 38.000 0.049 0.000 1.315 317 I HN 0.526 nan 8.210 nan 0.000 0.446 318 S N 3.344 119.082 115.700 0.063 0.000 2.745 318 S HA 0.697 5.300 4.470 0.222 0.000 0.292 318 S C 0.048 174.700 174.600 0.087 0.000 1.127 318 S CA -0.481 57.760 58.200 0.068 0.000 1.007 318 S CB 1.774 64.999 63.200 0.042 0.000 1.165 318 S HN 0.659 nan 8.310 nan 0.000 0.544 319 S N 0.099 115.863 115.700 0.107 0.000 2.648 319 S HA 0.880 5.483 4.470 0.222 0.000 0.305 319 S C -0.871 173.833 174.600 0.175 0.000 1.094 319 S CA -0.718 57.561 58.200 0.132 0.000 0.983 319 S CB 1.715 65.050 63.200 0.226 0.000 1.101 319 S HN 0.912 nan 8.310 nan 0.000 0.514 320 A N 1.415 124.338 122.820 0.173 0.000 2.486 320 A HA 0.757 5.210 4.320 0.222 0.000 0.300 320 A C 0.028 177.809 177.584 0.328 0.000 1.048 320 A CA -0.808 51.365 52.037 0.227 0.000 0.696 320 A CB 0.884 19.886 19.000 0.003 0.000 1.278 320 A HN 0.818 nan 8.150 nan 0.000 0.405 321 T N -0.876 113.858 114.554 0.300 0.000 2.788 321 T HA 0.235 4.718 4.350 0.222 0.000 0.287 321 T C 1.142 176.023 174.700 0.301 0.000 1.007 321 T CA 0.509 62.787 62.100 0.296 0.000 1.005 321 T CB 0.729 69.724 68.868 0.212 0.000 1.012 321 T HN 0.793 nan 8.240 nan 0.000 0.530 322 Q N -0.225 119.532 119.800 -0.072 0.000 2.197 322 Q HA -0.134 4.339 4.340 0.222 0.000 0.207 322 Q C 0.766 176.343 176.000 -0.705 0.000 0.984 322 Q CA 1.695 57.039 55.803 -0.765 0.000 0.869 322 Q CB -0.334 27.462 28.738 -1.570 0.000 0.906 322 Q HN 0.828 nan 8.270 nan 0.000 0.426 323 F N -0.524 119.415 119.950 -0.018 0.000 2.660 323 F HA 0.328 4.989 4.527 0.223 0.000 0.297 323 F C 1.205 177.076 175.800 0.118 0.000 1.132 323 F CA 0.313 58.325 58.000 0.020 0.000 1.372 323 F CB 0.689 39.679 39.000 -0.017 0.000 1.003 323 F HN 0.211 nan 8.300 nan 0.000 0.524 324 G N 0.727 109.694 108.800 0.279 0.000 2.176 324 G HA2 -0.282 3.811 3.960 0.222 0.000 0.252 324 G HA3 -0.282 3.811 3.960 0.222 0.000 0.252 324 G C -0.079 174.973 174.900 0.254 0.000 1.024 324 G CA -0.225 45.035 45.100 0.268 0.000 0.755 324 G HN 0.342 nan 8.290 nan 0.000 0.507 325 N N -1.020 117.842 118.700 0.269 0.000 2.483 325 N HA 0.529 5.402 4.740 0.222 0.000 0.285 325 N C 0.271 175.937 175.510 0.260 0.000 1.210 325 N CA -0.581 52.624 53.050 0.259 0.000 0.931 325 N CB 1.605 40.211 38.487 0.197 0.000 1.220 325 N HN 0.013 nan 8.380 nan 0.000 0.542 326 V N 2.730 122.751 119.914 0.178 0.000 2.439 326 V HA 0.147 4.400 4.120 0.222 0.000 0.271 326 V C -1.803 174.242 176.094 -0.081 0.000 1.040 326 V CA -0.979 61.323 62.300 0.004 0.000 1.002 326 V CB 0.277 32.018 31.823 -0.136 0.000 1.000 326 V HN 0.537 nan 8.190 nan 0.000 0.477 327 P HA -0.011 nan 4.420 nan 0.000 0.269 327 P C 0.929 177.924 177.300 -0.509 0.000 1.217 327 P CA -0.199 62.594 63.100 -0.512 0.000 0.783 327 P CB 0.355 31.330 31.700 -1.210 0.000 0.898 328 W N 2.033 123.138 121.300 -0.325 0.000 2.425 328 W HA -0.168 4.636 4.660 0.239 0.000 0.277 328 W C 0.870 177.299 176.519 -0.150 0.000 1.231 328 W CA 0.801 58.047 57.345 -0.164 0.000 1.248 328 W CB -1.497 27.949 29.460 -0.024 0.000 1.117 328 W HN 0.436 nan 8.180 nan 0.000 0.568 329 Y N 1.521 121.356 120.300 -0.774 0.000 2.511 329 Y HA 0.383 5.059 4.550 0.209 0.000 0.279 329 Y C 1.373 177.082 175.900 -0.318 0.000 1.157 329 Y CA -0.362 57.309 58.100 -0.715 0.000 1.300 329 Y CB -1.454 36.279 38.460 -1.212 0.000 1.052 329 Y HN -0.175 nan 8.280 nan 0.000 0.529 330 S N 1.858 117.248 115.700 -0.516 0.000 2.537 330 S HA 0.039 4.642 4.470 0.222 0.000 0.286 330 S C -0.239 174.281 174.600 -0.133 0.000 1.299 330 S CA -0.479 57.561 58.200 -0.267 0.000 1.067 330 S CB 0.155 63.146 63.200 -0.350 0.000 0.864 330 S HN 0.534 nan 8.310 nan 0.000 0.494 331 E N 2.466 122.629 120.200 -0.061 0.000 2.179 331 E HA 0.589 5.072 4.350 0.222 0.000 0.275 331 E C -0.448 176.124 176.600 -0.046 0.000 0.945 331 E CA -0.791 55.591 56.400 -0.029 0.000 0.792 331 E CB 1.685 31.398 29.700 0.022 0.000 1.125 331 E HN 0.697 nan 8.360 nan 0.000 0.397 332 A N 1.967 124.761 122.820 -0.042 0.000 2.303 332 A HA 0.735 5.188 4.320 0.222 0.000 0.317 332 A C -0.305 177.290 177.584 0.018 0.000 1.149 332 A CA -0.468 51.545 52.037 -0.038 0.000 0.822 332 A CB 0.282 19.246 19.000 -0.061 0.000 1.131 332 A HN 0.859 nan 8.150 nan 0.000 0.493 333 c N -0.534 118.102 118.600 0.060 0.000 3.197 333 c HA 0.594 5.297 4.570 0.222 0.000 0.343 333 c C 0.971 175.087 174.090 0.043 0.000 1.291 333 c CA 0.040 56.419 56.329 0.083 0.000 1.191 333 c CB 0.835 43.382 42.510 0.061 0.000 1.444 333 c HN 1.434 nan 8.230 nan 0.000 0.468 334 S N 0.335 116.021 115.700 -0.024 0.000 2.562 334 S HA -0.004 4.599 4.470 0.222 0.000 0.221 334 S C 1.221 175.749 174.600 -0.120 0.000 0.975 334 S CA 1.065 59.060 58.200 -0.342 0.000 0.918 334 S CB -0.462 62.507 63.200 -0.386 0.000 0.772 334 S HN 1.793 nan 8.310 nan 0.000 0.531 335 S N 0.503 116.198 115.700 -0.008 0.000 2.528 335 S HA 0.109 4.712 4.470 0.222 0.000 0.219 335 S C 0.710 175.343 174.600 0.054 0.000 0.985 335 S CA -0.196 58.025 58.200 0.035 0.000 0.914 335 S CB -0.791 62.414 63.200 0.008 0.000 0.776 335 S HN 0.380 nan 8.310 nan 0.000 0.526 336 T N 2.920 117.501 114.554 0.046 0.000 2.940 336 T HA 0.249 4.732 4.350 0.222 0.000 0.309 336 T C 0.751 175.488 174.700 0.061 0.000 1.056 336 T CA -0.071 62.058 62.100 0.048 0.000 1.137 336 T CB 1.032 69.916 68.868 0.026 0.000 0.976 336 T HN 0.169 nan 8.240 nan 0.000 0.547 337 L N 2.480 123.736 121.223 0.055 0.000 2.349 337 L HA 0.615 5.088 4.340 0.222 0.000 0.200 337 L C 0.791 177.704 176.870 0.071 0.000 1.064 337 L CA 1.027 55.898 54.840 0.053 0.000 0.821 337 L CB -0.279 41.766 42.059 -0.024 0.000 1.027 337 L HN 0.805 nan 8.230 nan 0.000 0.476 338 A N -2.343 120.502 122.820 0.042 0.000 2.533 338 A HA 0.782 5.235 4.320 0.222 0.000 0.293 338 A C -0.913 176.698 177.584 0.045 0.000 1.228 338 A CA -0.260 51.802 52.037 0.042 0.000 0.689 338 A CB 0.880 19.876 19.000 -0.007 0.000 1.303 338 A HN -0.000 nan 8.150 nan 0.000 0.444 339 T N 0.671 115.240 114.554 0.024 0.000 2.906 339 T HA 0.801 5.284 4.350 0.222 0.000 0.295 339 T C -0.512 174.144 174.700 -0.075 0.000 1.075 339 T CA 0.095 62.202 62.100 0.012 0.000 1.005 339 T CB 1.755 70.659 68.868 0.061 0.000 1.136 339 T HN 1.389 nan 8.240 nan 0.000 0.498 340 T N -0.861 113.645 114.554 -0.081 0.000 2.883 340 T HA 0.663 5.146 4.350 0.222 0.000 0.301 340 T C -0.986 173.645 174.700 -0.114 0.000 1.158 340 T CA -0.819 61.207 62.100 -0.124 0.000 1.007 340 T CB 0.707 69.536 68.868 -0.065 0.000 1.186 340 T HN 0.461 nan 8.240 nan 0.000 0.499 341 Y N 0.753 121.032 120.300 -0.035 0.000 2.426 341 Y HA 0.512 5.199 4.550 0.229 0.000 0.344 341 Y C 1.453 177.311 175.900 -0.069 0.000 1.256 341 Y CA 0.805 58.910 58.100 0.009 0.000 1.451 341 Y CB 1.076 39.518 38.460 -0.029 0.000 1.342 341 Y HN 0.974 nan 8.280 nan 0.000 0.600 342 S N -0.419 115.465 115.700 0.307 0.000 2.815 342 S HA 0.369 4.972 4.470 0.222 0.000 0.296 342 S C -1.043 173.755 174.600 0.330 0.000 1.224 342 S CA -0.474 57.826 58.200 0.165 0.000 0.938 342 S CB -0.066 63.199 63.200 0.108 0.000 1.285 342 S HN 0.724 nan 8.310 nan 0.000 0.549 343 S N -0.030 115.819 115.700 0.249 0.000 2.600 343 S HA 0.730 5.333 4.470 0.222 0.000 0.265 343 S C 0.615 175.421 174.600 0.343 0.000 1.325 343 S CA 0.309 58.681 58.200 0.288 0.000 1.002 343 S CB 0.631 63.957 63.200 0.210 0.000 0.921 343 S HN 1.294 nan 8.310 nan 0.000 0.554 344 G N 0.988 109.972 108.800 0.306 0.000 3.265 344 G HA2 0.454 4.547 3.960 0.222 0.000 0.171 344 G HA3 0.454 4.547 3.960 0.222 0.000 0.171 344 G C -0.508 174.612 174.900 0.367 0.000 1.110 344 G CA -0.401 44.876 45.100 0.295 0.000 0.855 344 G HN 0.905 nan 8.290 nan 0.000 0.658 345 N N -0.256 118.614 118.700 0.284 0.000 2.322 345 N HA 0.140 5.013 4.740 0.222 0.000 0.270 345 N C 0.980 176.594 175.510 0.173 0.000 1.286 345 N CA -0.026 53.162 53.050 0.231 0.000 0.948 345 N CB 0.292 38.871 38.487 0.154 0.000 1.164 345 N HN 0.510 nan 8.380 nan 0.000 0.551 346 Q N -1.307 118.560 119.800 0.113 0.000 2.364 346 Q HA -0.056 4.418 4.340 0.222 0.000 0.209 346 Q C 0.267 176.312 176.000 0.075 0.000 0.977 346 Q CA 1.204 57.058 55.803 0.086 0.000 0.885 346 Q CB -0.558 28.208 28.738 0.047 0.000 0.941 346 Q HN 0.654 nan 8.270 nan 0.000 0.464 347 N N 0.021 118.767 118.700 0.077 0.000 2.236 347 N HA 0.046 4.920 4.740 0.222 0.000 0.196 347 N C -0.726 174.861 175.510 0.127 0.000 1.114 347 N CA -0.055 53.034 53.050 0.065 0.000 0.859 347 N CB 0.626 39.119 38.487 0.011 0.000 0.982 347 N HN 0.167 nan 8.380 nan 0.000 0.493 348 E N 0.793 121.077 120.200 0.139 0.000 2.207 348 E HA 0.283 4.766 4.350 0.222 0.000 0.270 348 E C -0.374 176.206 176.600 -0.034 0.000 0.927 348 E CA -0.869 55.586 56.400 0.090 0.000 0.799 348 E CB 1.534 31.304 29.700 0.117 0.000 1.172 348 E HN -0.053 nan 8.360 nan 0.000 0.404 349 K N 1.854 122.093 120.400 -0.267 0.000 2.230 349 K HA 0.108 4.561 4.320 0.222 0.000 0.253 349 K C 0.168 176.859 176.600 0.153 0.000 1.008 349 K CA 0.253 56.442 56.287 -0.163 0.000 0.910 349 K CB 0.511 32.687 32.500 -0.540 0.000 0.994 349 K HN 0.538 nan 8.250 nan 0.000 0.495 350 Q N 0.282 120.310 119.800 0.380 0.000 2.962 350 Q HA 0.464 4.937 4.340 0.222 0.000 0.282 350 Q C -0.179 176.106 176.000 0.475 0.000 1.058 350 Q CA -1.146 54.901 55.803 0.406 0.000 0.854 350 Q CB 0.926 29.809 28.738 0.243 0.000 1.441 350 Q HN 0.305 nan 8.270 nan 0.000 0.497 351 I N 1.598 122.295 120.570 0.210 0.000 2.428 351 I HA 0.199 4.502 4.170 0.222 0.000 0.289 351 I C -0.130 176.116 176.117 0.215 0.000 1.019 351 I CA -0.377 60.965 61.300 0.070 0.000 1.351 351 I CB 0.871 38.765 38.000 -0.176 0.000 1.412 351 I HN 0.280 nan 8.210 nan 0.000 0.513 352 V N 5.882 125.978 119.914 0.303 0.000 2.407 352 V HA 0.632 4.885 4.120 0.222 0.000 0.278 352 V C 0.347 176.549 176.094 0.179 0.000 1.037 352 V CA -0.038 62.400 62.300 0.230 0.000 0.900 352 V CB 1.444 33.397 31.823 0.217 0.000 0.983 352 V HN 0.989 nan 8.190 nan 0.000 0.459 353 T N 2.242 116.855 114.554 0.097 0.000 2.661 353 T HA 0.393 4.876 4.350 0.222 0.000 0.305 353 T C -0.456 174.220 174.700 -0.040 0.000 1.441 353 T CA 0.035 62.151 62.100 0.027 0.000 0.999 353 T CB 1.745 70.604 68.868 -0.016 0.000 1.650 353 T HN 0.826 nan 8.240 nan 0.000 0.489 354 T N 1.449 115.917 114.554 -0.144 0.000 2.884 354 T HA 0.562 5.045 4.350 0.222 0.000 0.298 354 T C -0.475 174.100 174.700 -0.209 0.000 0.998 354 T CA -0.482 61.435 62.100 -0.306 0.000 1.124 354 T CB 0.840 69.262 68.868 -0.743 0.000 0.931 354 T HN 0.513 nan 8.240 nan 0.000 0.531 355 D N 1.198 121.580 120.400 -0.031 0.000 2.414 355 D HA 0.444 5.217 4.640 0.222 0.000 0.241 355 D C 0.324 176.694 176.300 0.116 0.000 1.008 355 D CA -1.004 53.002 54.000 0.010 0.000 1.001 355 D CB 1.487 42.305 40.800 0.030 0.000 1.277 355 D HN 0.555 nan 8.370 nan 0.000 0.538 356 L N 1.442 122.705 121.223 0.068 0.000 2.483 356 L HA 0.146 4.619 4.340 0.222 0.000 0.277 356 L C 1.070 178.004 176.870 0.106 0.000 1.248 356 L CA 0.119 55.015 54.840 0.094 0.000 0.825 356 L CB 0.173 42.262 42.059 0.050 0.000 1.096 356 L HN 0.624 nan 8.230 nan 0.000 0.512 357 R N 1.028 121.589 120.500 0.101 0.000 3.531 357 R HA -0.191 4.282 4.340 0.222 0.000 0.280 357 R C -0.056 176.244 176.300 -0.001 0.000 1.130 357 R CA 0.509 56.651 56.100 0.069 0.000 0.757 357 R CB -1.559 28.794 30.300 0.089 0.000 1.218 357 R HN 0.807 nan 8.270 nan 0.000 0.454 358 Q N -2.703 117.053 119.800 -0.072 0.000 2.468 358 Q HA -0.226 4.247 4.340 0.222 0.000 0.256 358 Q C -0.233 175.653 176.000 -0.191 0.000 0.984 358 Q CA 1.827 57.388 55.803 -0.403 0.000 1.110 358 Q CB -0.960 27.602 28.738 -0.294 0.000 1.527 358 Q HN 0.603 nan 8.270 nan 0.000 0.535 359 K N -0.120 120.330 120.400 0.083 0.000 2.419 359 K HA 0.633 5.086 4.320 0.222 0.000 0.246 359 K C -0.119 176.615 176.600 0.222 0.000 1.037 359 K CA -0.393 55.963 56.287 0.115 0.000 0.982 359 K CB 1.569 34.115 32.500 0.077 0.000 1.283 359 K HN 0.236 nan 8.250 nan 0.000 0.500 360 c N 0.489 119.168 118.600 0.132 0.000 2.441 360 c HA 0.561 5.264 4.570 0.222 0.000 0.318 360 c C -0.274 173.865 174.090 0.081 0.000 1.222 360 c CA -0.136 56.262 56.329 0.115 0.000 1.474 360 c CB 1.081 43.657 42.510 0.109 0.000 2.125 360 c HN 0.762 nan 8.230 nan 0.000 0.479 361 T N 2.638 117.231 114.554 0.065 0.000 2.908 361 T HA 0.502 4.985 4.350 0.222 0.000 0.290 361 T C 0.190 174.947 174.700 0.096 0.000 1.034 361 T CA -0.222 61.919 62.100 0.068 0.000 1.010 361 T CB 1.434 70.328 68.868 0.043 0.000 1.068 361 T HN 0.831 nan 8.240 nan 0.000 0.481 362 E N 1.308 121.576 120.200 0.113 0.000 2.603 362 E HA 0.157 4.640 4.350 0.222 0.000 0.211 362 E C 0.158 176.859 176.600 0.168 0.000 0.995 362 E CA -0.147 56.343 56.400 0.150 0.000 0.990 362 E CB 0.718 30.501 29.700 0.139 0.000 1.036 362 E HN 0.578 nan 8.360 nan 0.000 0.475 363 S N -0.410 115.379 115.700 0.148 0.000 2.668 363 S HA 0.150 4.753 4.470 0.222 0.000 0.244 363 S C -0.299 174.409 174.600 0.180 0.000 1.140 363 S CA -0.639 57.654 58.200 0.156 0.000 1.134 363 S CB -0.328 62.948 63.200 0.127 0.000 0.954 363 S HN 0.261 nan 8.310 nan 0.000 0.490 364 H N 2.081 121.178 119.070 0.044 0.000 2.582 364 H HA 0.465 5.155 4.556 0.223 0.000 0.345 364 H C 0.311 175.631 175.328 -0.013 0.000 1.104 364 H CA 0.479 56.521 56.048 -0.010 0.000 1.390 364 H CB 0.931 30.663 29.762 -0.051 0.000 1.461 364 H HN 0.603 nan 8.280 nan 0.000 0.551 365 T N 1.338 115.781 114.554 -0.185 0.000 2.804 365 T HA 0.612 5.095 4.350 0.222 0.000 0.290 365 T C 0.350 174.742 174.700 -0.515 0.000 1.099 365 T CA -0.164 61.781 62.100 -0.257 0.000 1.011 365 T CB 1.516 70.338 68.868 -0.076 0.000 1.291 365 T HN 1.000 nan 8.240 nan 0.000 0.523 366 G N 0.390 108.741 108.800 -0.749 0.000 2.855 366 G HA2 -0.133 3.961 3.960 0.222 0.000 0.352 366 G HA3 -0.133 3.961 3.960 0.222 0.000 0.352 366 G C 0.741 175.293 174.900 -0.580 0.000 1.415 366 G CA 0.615 45.024 45.100 -1.152 0.000 0.871 366 G HN 2.005 nan 8.290 nan 0.000 0.543 367 T N -2.356 111.980 114.554 -0.363 0.000 3.051 367 T HA 0.084 4.567 4.350 0.222 0.000 0.269 367 T C 2.309 176.939 174.700 -0.116 0.000 1.127 367 T CA 1.976 64.024 62.100 -0.086 0.000 1.107 367 T CB -0.068 68.817 68.868 0.027 0.000 0.898 367 T HN 0.795 nan 8.240 nan 0.000 0.517 368 S N 1.180 116.778 115.700 -0.171 0.000 2.447 368 S HA 0.211 4.814 4.470 0.222 0.000 0.233 368 S C 2.369 176.847 174.600 -0.203 0.000 1.006 368 S CA 0.701 58.838 58.200 -0.105 0.000 0.957 368 S CB -0.424 62.772 63.200 -0.008 0.000 0.773 368 S HN 0.789 nan 8.310 nan 0.000 0.507 369 A N 0.501 123.088 122.820 -0.388 0.000 2.030 369 A HA 0.138 4.591 4.320 0.222 0.000 0.215 369 A C 2.207 179.682 177.584 -0.183 0.000 1.164 369 A CA 0.911 52.732 52.037 -0.360 0.000 0.697 369 A CB -0.402 18.275 19.000 -0.538 0.000 0.827 369 A HN 0.400 nan 8.150 nan 0.000 0.457 370 S N 0.157 115.773 115.700 -0.140 0.000 2.371 370 S HA 0.035 4.639 4.470 0.222 0.000 0.224 370 S C 2.332 176.904 174.600 -0.047 0.000 1.029 370 S CA 1.006 59.160 58.200 -0.077 0.000 0.978 370 S CB -0.353 62.831 63.200 -0.026 0.000 0.833 370 S HN 0.744 nan 8.310 nan 0.000 0.466 371 A N 2.746 125.542 122.820 -0.041 0.000 1.865 371 A HA -0.048 4.405 4.320 0.222 0.000 0.217 371 A C 0.106 177.678 177.584 -0.020 0.000 1.191 371 A CA 1.564 53.586 52.037 -0.026 0.000 0.623 371 A CB -1.791 17.173 19.000 -0.059 0.000 0.826 371 A HN 0.448 nan 8.150 nan 0.000 0.444 372 P HA -0.128 nan 4.420 nan 0.000 0.217 372 P C 1.587 178.891 177.300 0.006 0.000 1.150 372 P CA 0.928 64.027 63.100 -0.000 0.000 0.832 372 P CB -0.208 31.498 31.700 0.011 0.000 0.787 373 L N -0.520 120.696 121.223 -0.011 0.000 2.083 373 L HA -0.144 4.329 4.340 0.222 0.000 0.209 373 L C 2.768 179.639 176.870 0.002 0.000 1.083 373 L CA 1.602 56.442 54.840 -0.001 0.000 0.752 373 L CB -1.102 40.928 42.059 -0.047 0.000 0.899 373 L HN -0.040 nan 8.230 nan 0.000 0.433 374 A N -0.127 122.687 122.820 -0.009 0.000 1.930 374 A HA -0.116 4.337 4.320 0.222 0.000 0.217 374 A C 2.525 180.108 177.584 -0.001 0.000 1.175 374 A CA 1.509 53.541 52.037 -0.010 0.000 0.627 374 A CB -0.600 18.398 19.000 -0.003 0.000 0.815 374 A HN 0.391 nan 8.150 nan 0.000 0.443 375 A N -0.353 122.472 122.820 0.009 0.000 1.933 375 A HA 0.117 4.570 4.320 0.222 0.000 0.218 375 A C 2.379 179.967 177.584 0.007 0.000 1.175 375 A CA 1.922 53.968 52.037 0.014 0.000 0.628 375 A CB -1.330 17.681 19.000 0.019 0.000 0.814 375 A HN 0.683 nan 8.150 nan 0.000 0.444 376 G N 0.091 108.902 108.800 0.018 0.000 2.421 376 G HA2 -0.195 3.898 3.960 0.222 0.000 0.216 376 G HA3 -0.195 3.898 3.960 0.222 0.000 0.216 376 G C 1.517 176.425 174.900 0.013 0.000 1.171 376 G CA 1.101 46.220 45.100 0.031 0.000 0.775 376 G HN 0.470 nan 8.290 nan 0.000 0.543 377 I N 0.588 121.157 120.570 -0.002 0.000 2.264 377 I HA -0.138 4.165 4.170 0.222 0.000 0.248 377 I C 2.561 178.642 176.117 -0.059 0.000 1.111 377 I CA 0.849 62.128 61.300 -0.036 0.000 1.382 377 I CB -0.159 37.810 38.000 -0.051 0.000 1.060 377 I HN 0.168 nan 8.210 nan 0.000 0.418 378 I N 0.528 121.069 120.570 -0.048 0.000 2.546 378 I HA -0.192 4.111 4.170 0.222 0.000 0.255 378 I C 2.725 178.800 176.117 -0.070 0.000 1.163 378 I CA 0.847 62.110 61.300 -0.062 0.000 1.457 378 I CB -0.339 37.642 38.000 -0.032 0.000 1.092 378 I HN 0.156 nan 8.210 nan 0.000 0.434 379 A N 1.192 123.981 122.820 -0.052 0.000 1.898 379 A HA -0.116 4.337 4.320 0.222 0.000 0.216 379 A C 2.268 179.806 177.584 -0.078 0.000 1.181 379 A CA 1.167 53.166 52.037 -0.063 0.000 0.620 379 A CB -0.669 18.309 19.000 -0.038 0.000 0.819 379 A HN 0.352 nan 8.150 nan 0.000 0.442 380 L N -0.639 120.549 121.223 -0.059 0.000 2.046 380 L HA -0.159 4.314 4.340 0.222 0.000 0.208 380 L C 2.725 179.482 176.870 -0.189 0.000 1.077 380 L CA 1.786 56.591 54.840 -0.058 0.000 0.747 380 L CB -1.228 40.822 42.059 -0.016 0.000 0.896 380 L HN 0.334 nan 8.230 nan 0.000 0.432 381 T N 0.388 114.828 114.554 -0.191 0.000 2.788 381 T HA -0.151 4.332 4.350 0.222 0.000 0.268 381 T C 2.026 176.583 174.700 -0.238 0.000 1.044 381 T CA 1.111 63.062 62.100 -0.248 0.000 1.139 381 T CB -0.188 68.562 68.868 -0.196 0.000 0.867 381 T HN 0.197 nan 8.240 nan 0.000 0.454 382 L N 0.589 121.706 121.223 -0.178 0.000 2.093 382 L HA -0.077 4.397 4.340 0.222 0.000 0.208 382 L C 2.826 179.599 176.870 -0.161 0.000 1.085 382 L CA 1.365 56.106 54.840 -0.164 0.000 0.755 382 L CB -0.418 41.532 42.059 -0.182 0.000 0.904 382 L HN 0.382 nan 8.230 nan 0.000 0.435 383 E N 0.364 120.480 120.200 -0.141 0.000 2.077 383 E HA -0.247 4.236 4.350 0.222 0.000 0.193 383 E C 2.128 178.695 176.600 -0.055 0.000 0.989 383 E CA 1.205 57.586 56.400 -0.032 0.000 0.800 383 E CB 0.015 29.785 29.700 0.117 0.000 0.746 383 E HN 0.459 nan 8.360 nan 0.000 0.452 384 A N 0.678 123.255 122.820 -0.404 0.000 2.070 384 A HA -0.118 4.335 4.320 0.222 0.000 0.220 384 A C 1.086 178.547 177.584 -0.205 0.000 1.159 384 A CA 1.198 52.852 52.037 -0.638 0.000 0.656 384 A CB -0.020 18.300 19.000 -1.134 0.000 0.800 384 A HN 0.298 nan 8.150 nan 0.000 0.453 385 N N -0.811 117.802 118.700 -0.146 0.000 2.969 385 N HA 0.090 4.963 4.740 0.222 0.000 0.230 385 N C -0.079 175.404 175.510 -0.045 0.000 1.397 385 N CA -0.360 52.657 53.050 -0.056 0.000 0.762 385 N CB 0.590 39.057 38.487 -0.034 0.000 1.495 385 N HN 0.014 nan 8.380 nan 0.000 0.583 386 K N 0.649 121.031 120.400 -0.029 0.000 2.442 386 K HA 0.045 4.498 4.320 0.222 0.000 0.198 386 K C 0.293 176.898 176.600 0.009 0.000 1.044 386 K CA 0.557 56.825 56.287 -0.032 0.000 0.948 386 K CB 0.214 32.702 32.500 -0.019 0.000 0.762 386 K HN 0.423 nan 8.250 nan 0.000 0.472 387 N N 0.791 119.510 118.700 0.030 0.000 2.270 387 N HA 0.071 4.944 4.740 0.222 0.000 0.198 387 N C 0.157 175.715 175.510 0.080 0.000 1.117 387 N CA 0.049 53.134 53.050 0.059 0.000 0.845 387 N CB 0.253 38.778 38.487 0.063 0.000 0.980 387 N HN 0.130 nan 8.380 nan 0.000 0.486 388 L N 1.365 122.623 121.223 0.060 0.000 2.455 388 L HA 0.072 4.545 4.340 0.222 0.000 0.272 388 L C 1.366 178.288 176.870 0.087 0.000 1.174 388 L CA -0.083 54.795 54.840 0.064 0.000 0.869 388 L CB 0.349 42.393 42.059 -0.025 0.000 1.130 388 L HN 0.083 nan 8.230 nan 0.000 0.474 389 T N -1.136 113.482 114.554 0.106 0.000 2.824 389 T HA 0.075 4.558 4.350 0.222 0.000 0.277 389 T C 1.271 176.057 174.700 0.144 0.000 0.975 389 T CA -0.665 61.520 62.100 0.142 0.000 0.966 389 T CB 0.846 69.775 68.868 0.101 0.000 1.054 389 T HN 0.760 nan 8.240 nan 0.000 0.533 390 W N 0.872 122.241 121.300 0.115 0.000 2.350 390 W HA -0.086 4.694 4.660 0.200 0.000 0.289 390 W C 1.609 178.220 176.519 0.155 0.000 1.215 390 W CA 0.599 58.015 57.345 0.117 0.000 1.236 390 W CB -0.945 28.599 29.460 0.141 0.000 1.130 390 W HN 0.643 nan 8.180 nan 0.000 0.541 391 R N 0.613 120.728 120.500 -0.640 0.000 2.075 391 R HA -0.094 4.380 4.340 0.222 0.000 0.226 391 R C 1.887 178.197 176.300 0.017 0.000 1.114 391 R CA 1.504 57.304 56.100 -0.500 0.000 0.972 391 R CB -0.506 29.415 30.300 -0.632 0.000 0.869 391 R HN -0.003 nan 8.270 nan 0.000 0.437 392 D N 0.893 121.310 120.400 0.029 0.000 2.116 392 D HA -0.218 4.555 4.640 0.222 0.000 0.193 392 D C 1.747 177.918 176.300 -0.215 0.000 0.998 392 D CA 1.395 55.403 54.000 0.013 0.000 0.836 392 D CB -0.098 40.718 40.800 0.027 0.000 0.951 392 D HN 0.026 nan 8.370 nan 0.000 0.449 393 M N 0.752 120.272 119.600 -0.135 0.000 2.108 393 M HA -0.169 4.444 4.480 0.222 0.000 0.261 393 M C 1.933 178.121 176.300 -0.187 0.000 1.066 393 M CA 1.549 56.752 55.300 -0.162 0.000 1.107 393 M CB -0.237 32.340 32.600 -0.039 0.000 1.356 393 M HN -0.039 nan 8.290 nan 0.000 0.406 394 Q N -1.529 118.196 119.800 -0.126 0.000 2.119 394 Q HA -0.179 4.294 4.340 0.222 0.000 0.201 394 Q C 2.130 177.837 176.000 -0.488 0.000 0.972 394 Q CA 1.285 56.929 55.803 -0.266 0.000 0.847 394 Q CB -0.323 28.327 28.738 -0.147 0.000 0.903 394 Q HN 0.654 nan 8.270 nan 0.000 0.433 395 H N 0.522 119.437 119.070 -0.259 0.000 2.353 395 H HA -0.101 4.592 4.556 0.229 0.000 0.300 395 H C 2.213 177.239 175.328 -0.502 0.000 1.090 395 H CA 1.211 57.112 56.048 -0.245 0.000 1.327 395 H CB 0.002 29.757 29.762 -0.012 0.000 1.383 395 H HN 0.237 nan 8.280 nan 0.000 0.508 396 L N -0.007 120.903 121.223 -0.521 0.000 2.046 396 L HA -0.149 4.324 4.340 0.222 0.000 0.208 396 L C 2.724 179.373 176.870 -0.367 0.000 1.077 396 L CA 0.649 55.176 54.840 -0.523 0.000 0.747 396 L CB -0.461 41.278 42.059 -0.534 0.000 0.896 396 L HN 0.054 nan 8.230 nan 0.000 0.432 397 V N -0.574 119.123 119.914 -0.361 0.000 2.343 397 V HA -0.231 4.022 4.120 0.222 0.000 0.247 397 V C 2.452 178.315 176.094 -0.384 0.000 1.051 397 V CA 1.450 63.564 62.300 -0.310 0.000 1.036 397 V CB -0.196 31.465 31.823 -0.270 0.000 0.654 397 V HN 0.198 nan 8.190 nan 0.000 0.451 398 V N -0.422 119.122 119.914 -0.617 0.000 2.343 398 V HA -0.299 3.954 4.120 0.222 0.000 0.247 398 V C 2.383 178.139 176.094 -0.563 0.000 1.051 398 V CA 2.007 63.769 62.300 -0.897 0.000 1.036 398 V CB -0.684 30.279 31.823 -1.434 0.000 0.654 398 V HN 0.591 nan 8.190 nan 0.000 0.451 399 Q N -0.141 119.445 119.800 -0.356 0.000 2.245 399 Q HA -0.107 4.366 4.340 0.222 0.000 0.201 399 Q C 2.233 178.152 176.000 -0.135 0.000 0.955 399 Q CA 1.780 57.476 55.803 -0.179 0.000 0.870 399 Q CB -0.084 28.615 28.738 -0.065 0.000 0.945 399 Q HN 0.841 nan 8.270 nan 0.000 0.461 400 T N -3.462 110.997 114.554 -0.160 0.000 3.014 400 T HA 0.168 4.652 4.350 0.222 0.000 0.250 400 T C 0.914 175.550 174.700 -0.107 0.000 1.060 400 T CA -0.336 61.692 62.100 -0.120 0.000 1.040 400 T CB 0.330 69.123 68.868 -0.126 0.000 0.971 400 T HN -0.137 nan 8.240 nan 0.000 0.497 401 S N 2.511 118.146 115.700 -0.108 0.000 2.560 401 S HA 0.276 4.879 4.470 0.222 0.000 0.284 401 S C -0.023 174.542 174.600 -0.059 0.000 1.327 401 S CA -0.275 57.884 58.200 -0.068 0.000 1.055 401 S CB 0.330 63.518 63.200 -0.020 0.000 0.868 401 S HN 0.298 nan 8.310 nan 0.000 0.506 402 K N 3.350 123.700 120.400 -0.083 0.000 2.293 402 K HA 0.287 4.740 4.320 0.222 0.000 0.267 402 K C -2.237 174.258 176.600 -0.175 0.000 1.010 402 K CA -2.267 53.939 56.287 -0.134 0.000 0.875 402 K CB 1.263 33.675 32.500 -0.146 0.000 1.106 402 K HN 0.226 nan 8.250 nan 0.000 0.450 403 P HA -0.078 nan 4.420 nan 0.000 0.220 403 P C -0.002 176.974 177.300 -0.540 0.000 1.152 403 P CA 0.571 63.305 63.100 -0.609 0.000 0.812 403 P CB 0.275 31.283 31.700 -1.154 0.000 0.792 404 A N 0.074 122.619 122.820 -0.458 0.000 2.603 404 A HA -0.113 4.340 4.320 0.222 0.000 0.235 404 A C 0.383 177.791 177.584 -0.294 0.000 1.035 404 A CA 1.006 52.770 52.037 -0.455 0.000 0.755 404 A CB -1.362 17.282 19.000 -0.594 0.000 0.954 404 A HN 0.546 nan 8.150 nan 0.000 0.511 405 H N -1.847 117.173 119.070 -0.084 0.000 3.641 405 H HA -0.181 4.507 4.556 0.221 0.000 0.193 405 H C -0.561 174.778 175.328 0.017 0.000 1.013 405 H CA 0.592 56.638 56.048 -0.003 0.000 1.212 405 H CB -1.219 28.561 29.762 0.030 0.000 1.089 405 H HN 0.415 nan 8.280 nan 0.000 0.339 406 L N 2.992 124.256 121.223 0.068 0.000 2.265 406 L HA 0.285 4.758 4.340 0.222 0.000 0.289 406 L C 0.038 177.093 176.870 0.309 0.000 1.033 406 L CA -0.216 54.620 54.840 -0.006 0.000 0.814 406 L CB 0.999 42.835 42.059 -0.373 0.000 1.203 406 L HN 0.150 nan 8.230 nan 0.000 0.423 407 N N 3.930 122.834 118.700 0.340 0.000 2.472 407 N HA 0.723 5.596 4.740 0.222 0.000 0.277 407 N C -0.511 175.290 175.510 0.486 0.000 1.081 407 N CA -0.233 53.060 53.050 0.406 0.000 0.973 407 N CB 1.967 40.613 38.487 0.266 0.000 1.105 407 N HN 0.633 nan 8.380 nan 0.000 0.470 408 A N 0.934 124.001 122.820 0.411 0.000 2.604 408 A HA 0.361 4.814 4.320 0.222 0.000 0.295 408 A C -0.638 177.009 177.584 0.105 0.000 1.067 408 A CA -0.648 51.464 52.037 0.126 0.000 0.683 408 A CB 1.141 20.020 19.000 -0.202 0.000 1.281 408 A HN 0.429 nan 8.150 nan 0.000 0.407 409 D N 0.601 121.010 120.400 0.014 0.000 2.339 409 D HA 0.079 4.852 4.640 0.222 0.000 0.217 409 D C 0.215 176.526 176.300 0.018 0.000 1.050 409 D CA 1.058 55.082 54.000 0.040 0.000 0.856 409 D CB 0.491 41.302 40.800 0.019 0.000 0.922 409 D HN 0.611 nan 8.370 nan 0.000 0.518 410 D N -1.342 119.025 120.400 -0.054 0.000 2.599 410 D HA -0.064 4.709 4.640 0.222 0.000 0.249 410 D C -0.208 176.090 176.300 -0.004 0.000 1.313 410 D CA -0.619 53.363 54.000 -0.030 0.000 0.815 410 D CB -1.008 39.762 40.800 -0.051 0.000 1.077 410 D HN 0.029 nan 8.370 nan 0.000 0.492 411 W N 1.665 123.006 121.300 0.068 0.000 2.397 411 W HA 0.411 5.204 4.660 0.222 0.000 0.327 411 W C 0.505 177.040 176.519 0.028 0.000 1.421 411 W CA -0.177 57.193 57.345 0.042 0.000 1.288 411 W CB 0.807 30.290 29.460 0.039 0.000 1.312 411 W HN 0.103 nan 8.180 nan 0.000 0.559 412 A N 2.936 125.928 122.820 0.286 0.000 2.475 412 A HA 0.710 5.163 4.320 0.222 0.000 0.301 412 A C -0.613 177.052 177.584 0.135 0.000 1.059 412 A CA -0.748 51.392 52.037 0.173 0.000 0.710 412 A CB 1.177 20.259 19.000 0.137 0.000 1.288 412 A HN 0.303 nan 8.150 nan 0.000 0.408 413 T N 2.837 117.448 114.554 0.095 0.000 2.806 413 T HA 0.416 4.899 4.350 0.222 0.000 0.290 413 T C 0.504 175.241 174.700 0.062 0.000 0.966 413 T CA -0.380 61.762 62.100 0.069 0.000 1.060 413 T CB 0.426 69.323 68.868 0.048 0.000 0.927 413 T HN 0.861 nan 8.240 nan 0.000 0.485 414 N N 1.613 120.354 118.700 0.069 0.000 2.476 414 N HA 0.331 5.204 4.740 0.222 0.000 0.287 414 N C 1.683 177.230 175.510 0.063 0.000 1.262 414 N CA -0.456 52.639 53.050 0.075 0.000 0.980 414 N CB -0.271 38.282 38.487 0.110 0.000 1.163 414 N HN 0.484 nan 8.380 nan 0.000 0.592 415 G N -1.521 107.310 108.800 0.051 0.000 2.516 415 G HA2 -0.170 3.923 3.960 0.222 0.000 0.221 415 G HA3 -0.170 3.923 3.960 0.222 0.000 0.221 415 G C 0.797 175.722 174.900 0.043 0.000 1.107 415 G CA 1.323 46.441 45.100 0.031 0.000 0.747 415 G HN 0.737 nan 8.290 nan 0.000 0.567 416 V N -3.636 116.320 119.914 0.070 0.000 3.214 416 V HA 0.659 4.912 4.120 0.222 0.000 0.330 416 V C 1.400 177.532 176.094 0.064 0.000 1.403 416 V CA 0.280 62.620 62.300 0.068 0.000 1.143 416 V CB -0.329 31.549 31.823 0.091 0.000 1.098 416 V HN 0.953 nan 8.190 nan 0.000 0.463 417 G N 0.930 109.764 108.800 0.058 0.000 2.159 417 G HA2 -0.258 3.835 3.960 0.222 0.000 0.256 417 G HA3 -0.258 3.835 3.960 0.222 0.000 0.256 417 G C 0.313 175.246 174.900 0.054 0.000 0.977 417 G CA 0.384 45.511 45.100 0.045 0.000 0.652 417 G HN 0.636 nan 8.290 nan 0.000 0.531 418 R N 0.363 120.920 120.500 0.096 0.000 2.428 418 R HA 0.452 4.925 4.340 0.222 0.000 0.294 418 R C 0.189 176.555 176.300 0.110 0.000 1.000 418 R CA -0.605 55.570 56.100 0.125 0.000 0.960 418 R CB 0.926 31.365 30.300 0.232 0.000 1.076 418 R HN 0.144 nan 8.270 nan 0.000 0.475 419 K N 2.098 122.543 120.400 0.074 0.000 2.234 419 K HA 0.311 4.764 4.320 0.222 0.000 0.282 419 K C -0.588 176.115 176.600 0.171 0.000 1.039 419 K CA -0.339 56.007 56.287 0.098 0.000 0.928 419 K CB 1.347 33.808 32.500 -0.064 0.000 1.039 419 K HN 0.223 nan 8.250 nan 0.000 0.470 420 V N 0.817 120.792 119.914 0.102 0.000 2.876 420 V HA 0.424 4.677 4.120 0.222 0.000 0.312 420 V C -0.519 175.386 176.094 -0.315 0.000 1.085 420 V CA -0.938 61.161 62.300 -0.334 0.000 0.945 420 V CB 1.910 33.097 31.823 -1.060 0.000 1.017 420 V HN 0.805 nan 8.190 nan 0.000 0.428 421 S N 0.149 115.464 115.700 -0.643 0.000 2.536 421 S HA 0.551 5.154 4.470 0.222 0.000 0.287 421 S C 0.134 174.510 174.600 -0.372 0.000 1.101 421 S CA -0.474 57.323 58.200 -0.672 0.000 0.950 421 S CB 1.368 63.692 63.200 -1.460 0.000 1.056 421 S HN 0.806 nan 8.310 nan 0.000 0.481 422 H N 2.088 121.045 119.070 -0.189 0.000 2.546 422 H HA 0.209 4.900 4.556 0.224 0.000 0.277 422 H C 1.660 176.848 175.328 -0.234 0.000 1.004 422 H CA 1.305 57.290 56.048 -0.105 0.000 1.231 422 H CB 0.316 30.012 29.762 -0.108 0.000 1.382 422 H HN 0.417 nan 8.280 nan 0.000 0.580 423 S N -1.104 114.383 115.700 -0.354 0.000 2.492 423 S HA 0.075 4.678 4.470 0.222 0.000 0.218 423 S C 0.536 174.767 174.600 -0.615 0.000 1.016 423 S CA 0.215 58.069 58.200 -0.576 0.000 0.916 423 S CB 0.328 62.962 63.200 -0.944 0.000 0.791 423 S HN 0.505 nan 8.310 nan 0.000 0.513 424 Y N 0.598 120.744 120.300 -0.257 0.000 2.563 424 Y HA 0.385 5.061 4.550 0.212 0.000 0.250 424 Y C 1.608 177.420 175.900 -0.145 0.000 1.126 424 Y CA -0.262 57.733 58.100 -0.175 0.000 1.231 424 Y CB 0.382 38.760 38.460 -0.137 0.000 1.288 424 Y HN 0.295 nan 8.280 nan 0.000 0.537 425 G N 1.196 109.936 108.800 -0.100 0.000 2.583 425 G HA2 -0.409 3.684 3.960 0.222 0.000 0.292 425 G HA3 -0.409 3.684 3.960 0.222 0.000 0.292 425 G C 0.238 174.987 174.900 -0.251 0.000 1.203 425 G CA 0.887 45.889 45.100 -0.164 0.000 0.987 425 G HN 0.349 nan 8.290 nan 0.000 0.554 426 Y N 2.915 123.193 120.300 -0.037 0.000 2.490 426 Y HA 0.428 5.102 4.550 0.206 0.000 0.281 426 Y C 1.824 177.797 175.900 0.122 0.000 1.174 426 Y CA 1.716 59.827 58.100 0.017 0.000 1.295 426 Y CB 0.150 38.544 38.460 -0.111 0.000 1.062 426 Y HN 1.598 nan 8.280 nan 0.000 0.522 427 G N -0.170 108.790 108.800 0.267 0.000 2.331 427 G HA2 -0.094 3.999 3.960 0.222 0.000 0.479 427 G HA3 -0.094 3.999 3.960 0.222 0.000 0.479 427 G C -1.723 173.191 174.900 0.024 0.000 1.262 427 G CA -1.075 44.146 45.100 0.202 0.000 1.029 427 G HN -0.016 nan 8.290 nan 0.000 0.487 428 L N 0.643 121.815 121.223 -0.086 0.000 2.416 428 L HA 0.607 5.080 4.340 0.222 0.000 0.272 428 L C 0.947 177.752 176.870 -0.109 0.000 1.161 428 L CA -0.344 54.401 54.840 -0.158 0.000 0.845 428 L CB 0.539 42.452 42.059 -0.243 0.000 1.119 428 L HN 0.545 nan 8.230 nan 0.000 0.464 429 L N 3.968 125.128 121.223 -0.104 0.000 2.456 429 L HA 0.142 4.615 4.340 0.222 0.000 0.272 429 L C -0.146 176.672 176.870 -0.087 0.000 1.189 429 L CA 0.168 54.955 54.840 -0.089 0.000 0.846 429 L CB 0.381 42.393 42.059 -0.079 0.000 1.111 429 L HN 0.629 nan 8.230 nan 0.000 0.475 430 D N 1.862 122.208 120.400 -0.091 0.000 2.420 430 D HA 0.331 5.104 4.640 0.222 0.000 0.255 430 D C 0.599 176.839 176.300 -0.099 0.000 1.185 430 D CA -0.298 53.650 54.000 -0.086 0.000 0.904 430 D CB 1.795 42.546 40.800 -0.082 0.000 1.102 430 D HN 0.543 nan 8.370 nan 0.000 0.534 431 A N 3.130 125.885 122.820 -0.108 0.000 1.892 431 A HA -0.108 4.345 4.320 0.222 0.000 0.218 431 A C 2.036 179.550 177.584 -0.117 0.000 1.188 431 A CA 2.156 54.117 52.037 -0.126 0.000 0.631 431 A CB -0.964 17.936 19.000 -0.166 0.000 0.822 431 A HN 0.592 nan 8.150 nan 0.000 0.447 432 G N -0.754 107.982 108.800 -0.107 0.000 2.446 432 G HA2 -0.043 4.051 3.960 0.222 0.000 0.217 432 G HA3 -0.043 4.051 3.960 0.222 0.000 0.217 432 G C 1.784 176.645 174.900 -0.065 0.000 1.168 432 G CA 1.741 46.796 45.100 -0.075 0.000 0.771 432 G HN 0.910 nan 8.290 nan 0.000 0.551 433 A N 0.263 123.039 122.820 -0.072 0.000 1.898 433 A HA 0.057 4.510 4.320 0.222 0.000 0.216 433 A C 2.465 179.995 177.584 -0.090 0.000 1.181 433 A CA 1.879 53.875 52.037 -0.069 0.000 0.620 433 A CB -0.345 18.612 19.000 -0.071 0.000 0.819 433 A HN 0.299 nan 8.150 nan 0.000 0.442 434 M N -0.590 118.940 119.600 -0.117 0.000 2.065 434 M HA -0.136 4.477 4.480 0.222 0.000 0.259 434 M C 2.274 178.472 176.300 -0.170 0.000 1.069 434 M CA 1.473 56.681 55.300 -0.153 0.000 1.110 434 M CB -1.229 31.277 32.600 -0.158 0.000 1.328 434 M HN 0.254 nan 8.290 nan 0.000 0.405 435 V N 0.426 120.233 119.914 -0.177 0.000 2.343 435 V HA -0.267 3.986 4.120 0.222 0.000 0.247 435 V C 2.661 178.652 176.094 -0.171 0.000 1.051 435 V CA 1.898 64.044 62.300 -0.258 0.000 1.036 435 V CB -1.115 30.559 31.823 -0.249 0.000 0.654 435 V HN 0.525 nan 8.190 nan 0.000 0.451 436 A N -0.395 122.379 122.820 -0.076 0.000 1.858 436 A HA -0.218 4.235 4.320 0.222 0.000 0.216 436 A C 2.138 179.717 177.584 -0.009 0.000 1.190 436 A CA 2.201 54.227 52.037 -0.018 0.000 0.617 436 A CB -0.651 18.347 19.000 -0.004 0.000 0.827 436 A HN 0.464 nan 8.150 nan 0.000 0.443 437 L N -0.510 120.702 121.223 -0.019 0.000 2.201 437 L HA 0.022 4.495 4.340 0.222 0.000 0.212 437 L C 2.579 179.492 176.870 0.072 0.000 1.105 437 L CA 1.830 56.695 54.840 0.041 0.000 0.775 437 L CB -0.576 41.491 42.059 0.013 0.000 0.913 437 L HN 0.349 nan 8.230 nan 0.000 0.440 438 A N -1.084 121.711 122.820 -0.042 0.000 1.898 438 A HA -0.224 4.229 4.320 0.222 0.000 0.216 438 A C 2.122 179.723 177.584 0.029 0.000 1.181 438 A CA 1.526 53.535 52.037 -0.046 0.000 0.620 438 A CB -0.519 18.376 19.000 -0.176 0.000 0.819 438 A HN 0.619 nan 8.150 nan 0.000 0.442 439 Q N -1.046 118.745 119.800 -0.015 0.000 2.217 439 Q HA -0.200 4.273 4.340 0.222 0.000 0.209 439 Q C 0.292 176.330 176.000 0.064 0.000 0.988 439 Q CA 1.450 57.265 55.803 0.021 0.000 0.878 439 Q CB -0.219 28.544 28.738 0.042 0.000 0.909 439 Q HN 0.639 nan 8.270 nan 0.000 0.424 440 N N -0.327 118.426 118.700 0.088 0.000 2.791 440 N HA 0.070 4.943 4.740 0.222 0.000 0.265 440 N C -2.135 173.445 175.510 0.116 0.000 1.580 440 N CA -0.298 52.797 53.050 0.075 0.000 0.809 440 N CB 0.495 39.004 38.487 0.037 0.000 1.178 440 N HN 0.226 nan 8.380 nan 0.000 0.499 441 W N 2.826 124.102 121.300 -0.041 0.000 2.587 441 W HA 0.455 5.255 4.660 0.234 0.000 0.324 441 W C -1.181 175.310 176.519 -0.046 0.000 1.040 441 W CA -0.519 56.798 57.345 -0.048 0.000 1.222 441 W CB 1.702 31.130 29.460 -0.054 0.000 1.381 441 W HN 0.063 nan 8.180 nan 0.000 0.483 442 T N 3.915 117.994 114.554 -0.793 0.000 2.743 442 T HA 0.046 4.529 4.350 0.222 0.000 0.293 442 T C 0.360 174.696 174.700 -0.607 0.000 0.945 442 T CA 0.118 61.902 62.100 -0.528 0.000 1.030 442 T CB 1.157 69.753 68.868 -0.454 0.000 0.912 442 T HN 0.393 nan 8.240 nan 0.000 0.483 443 T N 3.703 118.155 114.554 -0.169 0.000 2.905 443 T HA 0.126 4.609 4.350 0.222 0.000 0.299 443 T C 0.838 175.496 174.700 -0.071 0.000 1.024 443 T CA -0.487 61.628 62.100 0.025 0.000 1.151 443 T CB -0.163 68.747 68.868 0.070 0.000 0.987 443 T HN 0.515 nan 8.240 nan 0.000 0.535 444 V N 3.718 123.643 119.914 0.018 0.000 2.999 444 V HA 0.610 4.864 4.120 0.222 0.000 0.307 444 V C 0.920 176.984 176.094 -0.050 0.000 1.084 444 V CA -0.762 61.493 62.300 -0.075 0.000 1.155 444 V CB -0.495 31.278 31.823 -0.083 0.000 0.975 444 V HN 1.118 nan 8.190 nan 0.000 0.490 445 A N 4.812 127.591 122.820 -0.068 0.000 2.429 445 A HA 0.507 4.960 4.320 0.222 0.000 0.242 445 A C -1.543 176.039 177.584 -0.003 0.000 1.088 445 A CA -0.866 51.150 52.037 -0.036 0.000 0.784 445 A CB -0.920 18.053 19.000 -0.045 0.000 1.038 445 A HN 0.989 nan 8.150 nan 0.000 0.501 446 P HA -0.017 nan 4.420 nan 0.000 0.266 446 P C -0.641 176.691 177.300 0.054 0.000 1.195 446 P CA 0.038 63.166 63.100 0.048 0.000 0.768 446 P CB 0.327 32.059 31.700 0.052 0.000 0.838 447 Q N 3.133 122.989 119.800 0.093 0.000 2.297 447 Q HA 0.058 4.531 4.340 0.222 0.000 0.267 447 Q C -0.274 175.798 176.000 0.120 0.000 1.006 447 Q CA -0.211 55.662 55.803 0.117 0.000 0.896 447 Q CB 0.435 29.289 28.738 0.194 0.000 1.186 447 Q HN 0.293 nan 8.270 nan 0.000 0.392 448 R N 3.510 124.055 120.500 0.075 0.000 2.598 448 R HA 0.424 4.897 4.340 0.222 0.000 0.279 448 R C -0.639 175.659 176.300 -0.002 0.000 0.984 448 R CA -0.552 55.568 56.100 0.033 0.000 0.999 448 R CB 1.118 31.412 30.300 -0.009 0.000 1.114 448 R HN 0.548 nan 8.270 nan 0.000 0.493 449 K N 1.105 121.456 120.400 -0.082 0.000 2.640 449 K HA 0.225 4.678 4.320 0.222 0.000 0.245 449 K C -1.501 174.955 176.600 -0.241 0.000 0.962 449 K CA -0.405 55.709 56.287 -0.289 0.000 0.896 449 K CB 1.333 33.665 32.500 -0.279 0.000 1.147 449 K HN 0.625 nan 8.250 nan 0.000 0.445 450 c N 7.168 125.606 118.600 -0.269 0.000 2.264 450 c HA 0.560 5.263 4.570 0.222 0.000 0.324 450 c C -0.194 173.753 174.090 -0.237 0.000 1.267 450 c CA -0.723 55.490 56.329 -0.192 0.000 1.618 450 c CB -0.801 41.629 42.510 -0.134 0.000 2.278 450 c HN 0.799 nan 8.230 nan 0.000 0.499 451 I N 6.522 126.975 120.570 -0.194 0.000 2.321 451 I HA 0.468 4.771 4.170 0.222 0.000 0.291 451 I C -0.137 175.874 176.117 -0.176 0.000 0.998 451 I CA -0.163 61.021 61.300 -0.195 0.000 1.227 451 I CB 1.492 39.401 38.000 -0.152 0.000 1.368 451 I HN 0.453 nan 8.210 nan 0.000 0.466 452 V N 6.410 126.192 119.914 -0.220 0.000 2.525 452 V HA 0.373 4.626 4.120 0.222 0.000 0.299 452 V C -0.442 175.495 176.094 -0.263 0.000 1.034 452 V CA -0.362 61.806 62.300 -0.219 0.000 0.863 452 V CB 1.858 33.541 31.823 -0.233 0.000 0.999 452 V HN 0.758 nan 8.190 nan 0.000 0.423 453 E N 6.637 126.720 120.200 -0.196 0.000 2.217 453 E HA 0.237 4.720 4.350 0.222 0.000 0.279 453 E C 0.481 176.950 176.600 -0.219 0.000 1.068 453 E CA -0.402 55.887 56.400 -0.186 0.000 0.882 453 E CB 1.307 30.944 29.700 -0.105 0.000 1.039 453 E HN 0.638 nan 8.360 nan 0.000 0.418 454 I N 2.663 123.030 120.570 -0.339 0.000 2.339 454 I HA -0.051 4.252 4.170 0.222 0.000 0.245 454 I C 1.109 177.172 176.117 -0.089 0.000 1.096 454 I CA 0.787 61.899 61.300 -0.313 0.000 1.408 454 I CB -0.456 37.115 38.000 -0.716 0.000 1.092 454 I HN 0.491 nan 8.210 nan 0.000 0.423 455 L N 0.383 121.597 121.223 -0.015 0.000 2.417 455 L HA 0.129 4.602 4.340 0.222 0.000 0.268 455 L C 1.113 177.996 176.870 0.022 0.000 1.158 455 L CA 0.071 54.941 54.840 0.051 0.000 0.819 455 L CB 1.917 44.036 42.059 0.099 0.000 1.112 455 L HN -0.124 nan 8.230 nan 0.000 0.458 456 V N 1.167 121.099 119.914 0.031 0.000 3.451 456 V HA 0.223 4.476 4.120 0.222 0.000 0.288 456 V C -0.013 176.098 176.094 0.028 0.000 1.502 456 V CA 0.383 62.695 62.300 0.020 0.000 1.026 456 V CB 0.626 32.458 31.823 0.015 0.000 0.840 456 V HN 0.840 nan 8.190 nan 0.000 0.437 457 E N 0.282 120.505 120.200 0.040 0.000 2.372 457 E HA 0.394 4.877 4.350 0.222 0.000 0.279 457 E C -2.861 173.771 176.600 0.054 0.000 0.946 457 E CA -1.781 54.644 56.400 0.041 0.000 0.769 457 E CB 2.302 32.025 29.700 0.038 0.000 1.230 457 E HN 0.044 nan 8.360 nan 0.000 0.442 458 P HA 0.144 nan 4.420 nan 0.000 0.274 458 P C -1.065 176.273 177.300 0.064 0.000 1.237 458 P CA -0.341 62.797 63.100 0.064 0.000 0.793 458 P CB 0.610 32.346 31.700 0.061 0.000 0.977 459 K N 1.563 122.005 120.400 0.071 0.000 2.378 459 K HA 0.313 4.766 4.320 0.222 0.000 0.252 459 K C -1.021 175.623 176.600 0.073 0.000 0.931 459 K CA -0.767 55.560 56.287 0.066 0.000 0.794 459 K CB 1.928 34.466 32.500 0.064 0.000 1.181 459 K HN 0.413 nan 8.250 nan 0.000 0.425 460 D N 2.410 122.854 120.400 0.072 0.000 2.343 460 D HA 0.143 4.916 4.640 0.222 0.000 0.255 460 D C 0.978 177.334 176.300 0.094 0.000 1.187 460 D CA -0.102 53.952 54.000 0.090 0.000 0.875 460 D CB 0.589 41.437 40.800 0.079 0.000 1.136 460 D HN 0.409 nan 8.370 nan 0.000 0.469 461 I N 3.252 123.900 120.570 0.129 0.000 2.206 461 I HA 0.082 4.385 4.170 0.222 0.000 0.239 461 I C 2.017 178.220 176.117 0.143 0.000 1.078 461 I CA 0.774 62.146 61.300 0.120 0.000 1.367 461 I CB -0.876 37.210 38.000 0.144 0.000 1.078 461 I HN 0.758 nan 8.210 nan 0.000 0.413 462 G N 1.409 110.339 108.800 0.216 0.000 2.622 462 G HA2 -0.471 3.622 3.960 0.222 0.000 0.307 462 G HA3 -0.471 3.622 3.960 0.222 0.000 0.307 462 G C 0.922 175.934 174.900 0.186 0.000 1.226 462 G CA 1.080 46.290 45.100 0.184 0.000 0.997 462 G HN 0.300 nan 8.290 nan 0.000 0.551 463 K N 0.502 120.971 120.400 0.114 0.000 2.137 463 K HA 0.243 4.696 4.320 0.222 0.000 0.202 463 K C 1.268 177.899 176.600 0.051 0.000 1.052 463 K CA 1.630 57.971 56.287 0.089 0.000 0.961 463 K CB 0.101 32.636 32.500 0.059 0.000 0.741 463 K HN 0.628 nan 8.250 nan 0.000 0.452 464 R N -0.507 120.015 120.500 0.037 0.000 2.594 464 R HA 0.384 4.857 4.340 0.222 0.000 0.265 464 R C -2.180 174.124 176.300 0.007 0.000 1.070 464 R CA -0.787 55.317 56.100 0.006 0.000 0.909 464 R CB 1.096 31.397 30.300 0.001 0.000 1.243 464 R HN 0.090 nan 8.270 nan 0.000 0.455 465 L N 1.833 123.048 121.223 -0.013 0.000 2.431 465 L HA 0.547 5.020 4.340 0.222 0.000 0.266 465 L C -1.475 175.383 176.870 -0.020 0.000 0.978 465 L CA -0.147 54.688 54.840 -0.008 0.000 0.822 465 L CB 2.100 44.154 42.059 -0.009 0.000 1.310 465 L HN 0.720 nan 8.230 nan 0.000 0.409 466 E N 3.542 123.741 120.200 -0.002 0.000 2.224 466 E HA 0.630 5.113 4.350 0.222 0.000 0.265 466 E C -1.883 174.735 176.600 0.030 0.000 0.878 466 E CA -0.697 55.706 56.400 0.004 0.000 0.759 466 E CB 2.107 31.811 29.700 0.007 0.000 1.164 466 E HN 0.535 nan 8.360 nan 0.000 0.414 467 V N 5.278 125.221 119.914 0.048 0.000 2.409 467 V HA 0.470 4.723 4.120 0.222 0.000 0.291 467 V C -0.286 175.899 176.094 0.151 0.000 1.020 467 V CA -0.638 61.727 62.300 0.108 0.000 0.848 467 V CB 1.519 33.440 31.823 0.164 0.000 0.990 467 V HN 0.630 nan 8.190 nan 0.000 0.430 468 R N 3.483 124.060 120.500 0.128 0.000 2.514 468 R HA 0.812 5.285 4.340 0.222 0.000 0.301 468 R C -0.934 175.445 176.300 0.132 0.000 0.962 468 R CA -0.991 55.189 56.100 0.133 0.000 0.882 468 R CB 2.217 32.568 30.300 0.086 0.000 1.143 468 R HN 0.514 nan 8.270 nan 0.000 0.452 469 K N 1.144 121.637 120.400 0.155 0.000 2.550 469 K HA 0.427 4.881 4.320 0.222 0.000 0.252 469 K C -1.617 175.064 176.600 0.136 0.000 0.943 469 K CA -0.390 55.965 56.287 0.114 0.000 0.806 469 K CB 2.132 34.675 32.500 0.071 0.000 1.289 469 K HN 0.702 nan 8.250 nan 0.000 0.435 470 A N 3.152 126.028 122.820 0.093 0.000 2.409 470 A HA 0.544 4.997 4.320 0.222 0.000 0.267 470 A C -0.727 176.916 177.584 0.099 0.000 1.127 470 A CA -0.374 51.721 52.037 0.097 0.000 0.795 470 A CB 0.323 19.359 19.000 0.059 0.000 1.061 470 A HN 0.400 nan 8.150 nan 0.000 0.502 471 V N 2.973 122.983 119.914 0.159 0.000 2.495 471 V HA 0.361 4.614 4.120 0.222 0.000 0.298 471 V C 1.243 177.410 176.094 0.123 0.000 1.031 471 V CA 0.287 62.664 62.300 0.128 0.000 0.871 471 V CB 1.711 33.641 31.823 0.178 0.000 0.988 471 V HN 1.083 nan 8.190 nan 0.000 0.432 472 T N 0.734 115.331 114.554 0.073 0.000 3.081 472 T HA 0.286 4.769 4.350 0.222 0.000 0.250 472 T C 1.010 175.783 174.700 0.122 0.000 1.100 472 T CA 0.501 62.649 62.100 0.080 0.000 1.038 472 T CB 0.152 69.040 68.868 0.034 0.000 0.962 472 T HN 1.860 nan 8.240 nan 0.000 0.516 473 A N 0.045 122.921 122.820 0.093 0.000 2.739 473 A HA -0.136 4.317 4.320 0.222 0.000 0.296 473 A C 1.171 178.842 177.584 0.146 0.000 1.488 473 A CA 0.158 52.247 52.037 0.087 0.000 0.746 473 A CB -2.893 16.170 19.000 0.105 0.000 1.047 473 A HN 1.437 nan 8.150 nan 0.000 0.477 474 c N -2.888 115.757 118.600 0.075 0.000 4.365 474 c HA -0.160 4.543 4.570 0.222 0.000 0.299 474 c C 0.854 174.991 174.090 0.077 0.000 1.409 474 c CA 0.554 56.920 56.329 0.063 0.000 2.007 474 c CB -2.773 39.764 42.510 0.045 0.000 1.264 474 c HN 2.007 nan 8.230 nan 0.000 0.777 475 L N 0.923 122.145 121.223 -0.002 0.000 2.490 475 L HA 0.497 4.971 4.340 0.222 0.000 0.274 475 L C 1.340 178.068 176.870 -0.238 0.000 1.201 475 L CA 2.341 56.971 54.840 -0.349 0.000 0.869 475 L CB 0.455 42.366 42.059 -0.247 0.000 1.123 475 L HN 1.086 nan 8.230 nan 0.000 0.484 476 G N 2.481 111.103 108.800 -0.298 0.000 2.179 476 G HA2 -0.230 3.863 3.960 0.222 0.000 0.260 476 G HA3 -0.230 3.863 3.960 0.222 0.000 0.260 476 G C 0.185 175.040 174.900 -0.074 0.000 0.977 476 G CA 0.435 45.447 45.100 -0.146 0.000 0.641 476 G HN 0.667 nan 8.290 nan 0.000 0.533 477 E N -0.323 119.849 120.200 -0.047 0.000 2.281 477 E HA 0.458 4.941 4.350 0.222 0.000 0.262 477 E C -1.850 174.768 176.600 0.031 0.000 0.933 477 E CA -2.088 54.309 56.400 -0.006 0.000 0.809 477 E CB 1.700 31.398 29.700 -0.003 0.000 1.242 477 E HN -0.026 nan 8.360 nan 0.000 0.418 478 P HA -0.099 nan 4.420 nan 0.000 0.219 478 P C 0.397 177.724 177.300 0.045 0.000 1.146 478 P CA 1.023 64.143 63.100 0.034 0.000 0.808 478 P CB 0.227 31.940 31.700 0.021 0.000 0.779 479 N N -1.553 117.170 118.700 0.038 0.000 2.276 479 N HA -0.028 4.845 4.740 0.222 0.000 0.212 479 N C 0.232 175.770 175.510 0.046 0.000 1.127 479 N CA -0.011 53.053 53.050 0.022 0.000 0.834 479 N CB -0.603 37.876 38.487 -0.015 0.000 1.014 479 N HN 0.280 nan 8.380 nan 0.000 0.491 480 H N 1.269 120.324 119.070 -0.025 0.000 3.094 480 H HA 0.108 4.798 4.556 0.223 0.000 0.320 480 H C -0.152 175.164 175.328 -0.019 0.000 1.000 480 H CA 0.759 56.794 56.048 -0.021 0.000 1.413 480 H CB 0.186 29.939 29.762 -0.014 0.000 1.405 480 H HN 0.047 nan 8.280 nan 0.000 0.586 481 I N 4.318 124.664 120.570 -0.374 0.000 2.474 481 I HA 0.156 4.459 4.170 0.222 0.000 0.294 481 I C 0.776 176.632 176.117 -0.435 0.000 1.005 481 I CA -0.210 60.888 61.300 -0.336 0.000 1.113 481 I CB 2.231 40.140 38.000 -0.151 0.000 1.289 481 I HN 0.840 nan 8.210 nan 0.000 0.436 482 T N 1.042 115.408 114.554 -0.313 0.000 2.986 482 T HA 0.267 4.750 4.350 0.222 0.000 0.264 482 T C 0.567 175.207 174.700 -0.100 0.000 0.964 482 T CA -0.230 61.751 62.100 -0.198 0.000 0.895 482 T CB 0.279 69.049 68.868 -0.165 0.000 1.163 482 T HN 0.505 nan 8.240 nan 0.000 0.517 483 R N 1.151 121.587 120.500 -0.106 0.000 2.507 483 R HA 0.575 5.048 4.340 0.222 0.000 0.298 483 R C -1.052 175.168 176.300 -0.134 0.000 1.087 483 R CA -0.639 55.409 56.100 -0.086 0.000 0.917 483 R CB 0.839 31.097 30.300 -0.070 0.000 1.173 483 R HN 0.248 nan 8.270 nan 0.000 0.472 484 L N 2.930 124.077 121.223 -0.126 0.000 2.473 484 L HA 0.180 4.653 4.340 0.222 0.000 0.268 484 L C 0.932 177.483 176.870 -0.532 0.000 1.215 484 L CA 0.534 55.260 54.840 -0.189 0.000 0.823 484 L CB 0.879 42.919 42.059 -0.032 0.000 1.099 484 L HN 0.736 nan 8.230 nan 0.000 0.483 485 E N -0.552 119.270 120.200 -0.630 0.000 4.072 485 E HA 0.232 4.715 4.350 0.222 0.000 0.247 485 E C -0.760 175.410 176.600 -0.717 0.000 1.033 485 E CA -0.810 54.727 56.400 -1.438 0.000 1.019 485 E CB 0.358 29.372 29.700 -1.144 0.000 2.662 485 E HN 0.519 nan 8.360 nan 0.000 0.514 486 H N 0.074 119.000 119.070 -0.240 0.000 2.615 486 H HA 0.363 5.043 4.556 0.207 0.000 0.363 486 H C -0.667 174.724 175.328 0.105 0.000 1.148 486 H CA -0.176 55.889 56.048 0.030 0.000 1.401 486 H CB 0.873 30.588 29.762 -0.079 0.000 1.461 486 H HN -0.082 nan 8.280 nan 0.000 0.588 487 V N 2.709 122.754 119.914 0.218 0.000 2.577 487 V HA 0.236 4.489 4.120 0.222 0.000 0.303 487 V C -0.609 175.542 176.094 0.095 0.000 1.042 487 V CA -0.811 61.567 62.300 0.130 0.000 0.872 487 V CB 1.648 33.547 31.823 0.127 0.000 0.998 487 V HN 0.749 nan 8.190 nan 0.000 0.423 488 Q N 2.868 122.693 119.800 0.042 0.000 2.316 488 Q HA 0.773 5.246 4.340 0.222 0.000 0.264 488 Q C -0.459 175.555 176.000 0.023 0.000 0.987 488 Q CA -0.640 55.171 55.803 0.014 0.000 0.852 488 Q CB 2.627 31.353 28.738 -0.021 0.000 1.287 488 Q HN 0.857 nan 8.270 nan 0.000 0.448 489 A N 3.449 126.333 122.820 0.105 0.000 2.316 489 A HA 0.373 4.826 4.320 0.222 0.000 0.324 489 A C -0.466 177.263 177.584 0.242 0.000 1.375 489 A CA -0.662 51.516 52.037 0.235 0.000 0.882 489 A CB 0.295 19.398 19.000 0.172 0.000 1.152 489 A HN 0.663 nan 8.150 nan 0.000 0.512 490 R N 2.608 123.234 120.500 0.210 0.000 2.220 490 R HA 0.429 4.902 4.340 0.222 0.000 0.340 490 R C -0.996 175.449 176.300 0.243 0.000 1.076 490 R CA 0.062 56.251 56.100 0.148 0.000 0.920 490 R CB 0.412 30.744 30.300 0.053 0.000 1.062 490 R HN 0.638 nan 8.270 nan 0.000 0.469 491 L N 1.989 123.369 121.223 0.262 0.000 2.334 491 L HA 0.516 4.989 4.340 0.222 0.000 0.276 491 L C 0.041 177.069 176.870 0.264 0.000 1.014 491 L CA -0.762 54.223 54.840 0.242 0.000 0.815 491 L CB 2.242 44.409 42.059 0.180 0.000 1.268 491 L HN 0.438 nan 8.230 nan 0.000 0.428 492 T N 4.130 118.815 114.554 0.219 0.000 2.864 492 T HA 0.688 5.171 4.350 0.222 0.000 0.299 492 T C -0.780 174.036 174.700 0.193 0.000 1.011 492 T CA -0.444 61.784 62.100 0.214 0.000 0.975 492 T CB 1.222 70.184 68.868 0.157 0.000 0.962 492 T HN 0.412 nan 8.240 nan 0.000 0.448 493 L N 0.663 122.023 121.223 0.227 0.000 2.540 493 L HA 0.988 5.461 4.340 0.222 0.000 0.256 493 L C -0.469 176.503 176.870 0.169 0.000 1.001 493 L CA -1.013 53.939 54.840 0.186 0.000 0.843 493 L CB 1.750 43.919 42.059 0.183 0.000 1.436 493 L HN 0.475 nan 8.230 nan 0.000 0.410 494 S N 0.141 115.929 115.700 0.148 0.000 2.482 494 S HA 0.875 5.478 4.470 0.222 0.000 0.303 494 S C -1.112 173.594 174.600 0.177 0.000 1.091 494 S CA -0.543 57.725 58.200 0.113 0.000 1.057 494 S CB 1.421 64.669 63.200 0.081 0.000 1.031 494 S HN 0.841 nan 8.310 nan 0.000 0.485 495 Y N 1.653 121.894 120.300 -0.099 0.000 2.581 495 Y HA 0.356 5.040 4.550 0.223 0.000 0.337 495 Y C 0.692 176.439 175.900 -0.255 0.000 1.108 495 Y CA -1.129 56.864 58.100 -0.179 0.000 1.033 495 Y CB 1.601 39.995 38.460 -0.111 0.000 1.318 495 Y HN 0.794 nan 8.280 nan 0.000 0.459 496 N N 1.356 119.595 118.700 -0.769 0.000 2.333 496 N HA -0.004 4.869 4.740 0.222 0.000 0.178 496 N C -0.350 175.013 175.510 -0.246 0.000 1.018 496 N CA 0.866 53.586 53.050 -0.551 0.000 0.882 496 N CB 0.321 38.292 38.487 -0.859 0.000 0.984 496 N HN 0.356 nan 8.380 nan 0.000 0.434 497 R N 1.118 121.522 120.500 -0.159 0.000 2.513 497 R HA 0.251 4.724 4.340 0.222 0.000 0.283 497 R C 0.664 177.051 176.300 0.145 0.000 1.535 497 R CA -0.350 55.761 56.100 0.019 0.000 1.315 497 R CB 0.934 31.250 30.300 0.028 0.000 1.163 497 R HN 0.227 nan 8.270 nan 0.000 0.573 498 R N 1.085 121.620 120.500 0.057 0.000 2.096 498 R HA -0.141 4.332 4.340 0.222 0.000 0.240 498 R C 1.738 178.032 176.300 -0.010 0.000 1.139 498 R CA 2.325 58.432 56.100 0.011 0.000 0.952 498 R CB -0.265 29.939 30.300 -0.160 0.000 0.854 498 R HN 0.660 nan 8.270 nan 0.000 0.436 499 G N -0.168 108.587 108.800 -0.075 0.000 2.501 499 G HA2 -0.224 3.869 3.960 0.222 0.000 0.220 499 G HA3 -0.224 3.869 3.960 0.222 0.000 0.220 499 G C 0.668 175.515 174.900 -0.089 0.000 1.114 499 G CA 0.897 45.931 45.100 -0.110 0.000 0.757 499 G HN 0.354 nan 8.290 nan 0.000 0.559 500 D N -0.152 120.228 120.400 -0.033 0.000 2.347 500 D HA 0.093 4.866 4.640 0.222 0.000 0.213 500 D C 1.238 177.511 176.300 -0.045 0.000 0.985 500 D CA 0.013 54.005 54.000 -0.012 0.000 0.879 500 D CB 0.192 41.041 40.800 0.081 0.000 0.919 500 D HN 0.244 nan 8.370 nan 0.000 0.526 501 L N 0.544 121.710 121.223 -0.095 0.000 2.395 501 L HA 0.441 4.914 4.340 0.222 0.000 0.269 501 L C 0.238 177.018 176.870 -0.150 0.000 1.133 501 L CA -0.551 54.175 54.840 -0.190 0.000 0.812 501 L CB 1.106 43.006 42.059 -0.265 0.000 1.125 501 L HN -0.147 nan 8.230 nan 0.000 0.452 502 A N 4.794 127.512 122.820 -0.170 0.000 2.359 502 A HA 0.783 5.237 4.320 0.222 0.000 0.303 502 A C -0.882 176.564 177.584 -0.230 0.000 1.066 502 A CA -0.409 51.521 52.037 -0.178 0.000 0.730 502 A CB 0.949 19.910 19.000 -0.064 0.000 1.211 502 A HN 0.603 nan 8.150 nan 0.000 0.439 503 I N 2.207 122.531 120.570 -0.410 0.000 2.465 503 I HA 0.474 4.777 4.170 0.222 0.000 0.291 503 I C -0.742 175.039 176.117 -0.560 0.000 1.014 503 I CA -0.524 60.513 61.300 -0.439 0.000 1.093 503 I CB 2.138 39.759 38.000 -0.633 0.000 1.267 503 I HN 0.765 nan 8.210 nan 0.000 0.431 504 H N 4.810 123.741 119.070 -0.232 0.000 2.747 504 H HA 0.695 5.385 4.556 0.224 0.000 0.371 504 H C -1.338 173.923 175.328 -0.113 0.000 1.161 504 H CA -0.716 55.241 56.048 -0.153 0.000 1.167 504 H CB 2.425 32.121 29.762 -0.109 0.000 1.732 504 H HN 0.344 nan 8.280 nan 0.000 0.544 505 L N 2.838 124.113 121.223 0.086 0.000 2.385 505 L HA 0.565 5.038 4.340 0.222 0.000 0.273 505 L C -1.543 175.436 176.870 0.182 0.000 0.990 505 L CA -0.356 54.574 54.840 0.150 0.000 0.821 505 L CB 1.071 43.246 42.059 0.193 0.000 1.279 505 L HN 0.619 nan 8.230 nan 0.000 0.412 506 I N 3.964 124.636 120.570 0.170 0.000 2.389 506 I HA 0.404 4.707 4.170 0.222 0.000 0.288 506 I C 0.225 176.247 176.117 -0.157 0.000 0.999 506 I CA -0.615 60.705 61.300 0.033 0.000 1.129 506 I CB 1.940 39.941 38.000 0.002 0.000 1.288 506 I HN 0.739 nan 8.210 nan 0.000 0.444 507 S N 5.465 120.922 115.700 -0.406 0.000 2.593 507 S HA 0.319 4.922 4.470 0.222 0.000 0.269 507 S C -1.901 172.235 174.600 -0.774 0.000 1.334 507 S CA -0.970 56.560 58.200 -1.116 0.000 1.015 507 S CB 1.050 63.795 63.200 -0.757 0.000 0.912 507 S HN 0.384 nan 8.310 nan 0.000 0.541 508 P HA -0.092 nan 4.420 nan 0.000 0.217 508 P C 0.974 178.115 177.300 -0.266 0.000 1.148 508 P CA 1.505 64.330 63.100 -0.457 0.000 0.828 508 P CB -0.059 31.422 31.700 -0.366 0.000 0.783 509 M N -2.009 117.439 119.600 -0.253 0.000 2.581 509 M HA 0.231 4.844 4.480 0.222 0.000 0.224 509 M C 0.997 177.233 176.300 -0.107 0.000 1.171 509 M CA 0.701 55.920 55.300 -0.135 0.000 0.993 509 M CB -0.631 31.915 32.600 -0.090 0.000 1.685 509 M HN 0.072 nan 8.290 nan 0.000 0.479 510 G N 0.720 109.437 108.800 -0.138 0.000 2.162 510 G HA2 -0.219 3.874 3.960 0.222 0.000 0.260 510 G HA3 -0.219 3.874 3.960 0.222 0.000 0.260 510 G C 0.138 175.007 174.900 -0.051 0.000 0.976 510 G CA 0.304 45.352 45.100 -0.086 0.000 0.655 510 G HN 0.433 nan 8.290 nan 0.000 0.533 511 T N 0.743 115.263 114.554 -0.056 0.000 2.737 511 T HA 0.428 4.912 4.350 0.222 0.000 0.296 511 T C 0.585 175.310 174.700 0.041 0.000 0.922 511 T CA -0.111 61.999 62.100 0.018 0.000 1.079 511 T CB 1.097 69.996 68.868 0.051 0.000 0.892 511 T HN 0.453 nan 8.240 nan 0.000 0.514 512 R N 2.932 123.480 120.500 0.080 0.000 2.205 512 R HA 0.334 4.807 4.340 0.222 0.000 0.342 512 R C -0.522 175.891 176.300 0.188 0.000 1.058 512 R CA -0.180 55.983 56.100 0.106 0.000 0.904 512 R CB 0.285 30.624 30.300 0.064 0.000 1.089 512 R HN 0.497 nan 8.270 nan 0.000 0.471 513 S N 2.329 118.129 115.700 0.166 0.000 2.442 513 S HA 0.199 4.802 4.470 0.222 0.000 0.297 513 S C -0.503 174.171 174.600 0.122 0.000 1.131 513 S CA -0.524 57.760 58.200 0.140 0.000 1.092 513 S CB 1.865 65.076 63.200 0.018 0.000 0.998 513 S HN 0.509 nan 8.310 nan 0.000 0.478 514 T N 4.833 119.483 114.554 0.161 0.000 2.782 514 T HA 0.208 4.691 4.350 0.222 0.000 0.298 514 T C 1.508 176.068 174.700 -0.233 0.000 0.944 514 T CA -0.239 61.674 62.100 -0.312 0.000 1.001 514 T CB -0.108 68.421 68.868 -0.566 0.000 0.932 514 T HN 0.448 nan 8.240 nan 0.000 0.524 515 L N 2.722 123.755 121.223 -0.317 0.000 2.156 515 L HA 0.185 4.658 4.340 0.222 0.000 0.208 515 L C 0.491 177.207 176.870 -0.257 0.000 1.095 515 L CA 0.834 55.518 54.840 -0.259 0.000 0.770 515 L CB -0.067 41.714 42.059 -0.463 0.000 0.914 515 L HN 0.399 nan 8.230 nan 0.000 0.439 516 L N -0.524 120.458 121.223 -0.403 0.000 2.614 516 L HA 0.634 5.107 4.340 0.222 0.000 0.264 516 L C -0.665 176.035 176.870 -0.283 0.000 0.940 516 L CA -0.262 54.419 54.840 -0.265 0.000 0.903 516 L CB 1.415 43.281 42.059 -0.323 0.000 1.306 516 L HN -0.111 nan 8.230 nan 0.000 0.410 517 A N 3.541 126.257 122.820 -0.173 0.000 2.281 517 A HA 0.936 5.389 4.320 0.222 0.000 0.329 517 A C 0.059 177.587 177.584 -0.093 0.000 1.122 517 A CA -0.160 51.786 52.037 -0.152 0.000 0.850 517 A CB 0.940 19.870 19.000 -0.117 0.000 1.207 517 A HN 1.280 nan 8.150 nan 0.000 0.495 518 A N 0.423 123.187 122.820 -0.093 0.000 2.498 518 A HA 0.472 4.925 4.320 0.222 0.000 0.239 518 A C 0.323 177.858 177.584 -0.080 0.000 1.068 518 A CA 0.190 52.171 52.037 -0.093 0.000 0.766 518 A CB -0.122 18.810 19.000 -0.114 0.000 1.003 518 A HN 0.686 nan 8.150 nan 0.000 0.497 519 R N 3.231 123.681 120.500 -0.083 0.000 2.415 519 R HA 0.259 4.732 4.340 0.222 0.000 0.292 519 R C -2.069 174.125 176.300 -0.177 0.000 1.295 519 R CA -1.603 54.460 56.100 -0.061 0.000 1.137 519 R CB 1.475 31.768 30.300 -0.013 0.000 1.135 519 R HN 0.586 nan 8.270 nan 0.000 0.560 520 P HA -0.218 nan 4.420 nan 0.000 0.220 520 P C 0.285 177.234 177.300 -0.584 0.000 1.144 520 P CA 1.406 64.259 63.100 -0.412 0.000 0.800 520 P CB 0.281 31.713 31.700 -0.447 0.000 0.772 521 H N -1.509 117.424 119.070 -0.228 0.000 2.539 521 H HA 0.127 4.815 4.556 0.220 0.000 0.269 521 H C 0.156 175.240 175.328 -0.407 0.000 0.980 521 H CA 0.053 55.957 56.048 -0.240 0.000 1.152 521 H CB -0.000 29.759 29.762 -0.004 0.000 1.407 521 H HN 0.175 nan 8.280 nan 0.000 0.564 522 D N 0.296 120.485 120.400 -0.352 0.000 2.411 522 D HA 0.004 4.777 4.640 0.222 0.000 0.225 522 D C -0.084 175.980 176.300 -0.393 0.000 1.156 522 D CA -0.391 53.458 54.000 -0.252 0.000 0.874 522 D CB -0.020 40.697 40.800 -0.138 0.000 1.034 522 D HN 0.133 nan 8.370 nan 0.000 0.502 523 Y N 1.409 121.709 120.300 0.000 0.000 2.485 523 Y HA 0.169 4.853 4.550 0.224 0.000 0.260 523 Y C 1.537 177.413 175.900 -0.039 0.000 1.173 523 Y CA -0.484 57.606 58.100 -0.015 0.000 1.252 523 Y CB 0.185 38.642 38.460 -0.005 0.000 1.123 523 Y HN 0.245 nan 8.280 nan 0.000 0.524 524 S N 1.001 116.721 115.700 0.034 0.000 2.554 524 S HA 0.195 4.798 4.470 0.222 0.000 0.290 524 S C 1.132 175.703 174.600 -0.048 0.000 1.309 524 S CA 0.471 58.655 58.200 -0.025 0.000 1.047 524 S CB 0.742 63.879 63.200 -0.105 0.000 0.828 524 S HN 0.447 nan 8.310 nan 0.000 0.509 525 A N 3.079 125.867 122.820 -0.054 0.000 2.538 525 A HA 0.300 4.753 4.320 0.222 0.000 0.269 525 A C 0.897 178.435 177.584 -0.077 0.000 1.231 525 A CA -0.267 51.729 52.037 -0.069 0.000 0.948 525 A CB 0.135 19.103 19.000 -0.053 0.000 1.110 525 A HN 0.781 nan 8.150 nan 0.000 0.529 526 D N 0.348 120.685 120.400 -0.105 0.000 2.349 526 D HA 0.260 5.033 4.640 0.222 0.000 0.215 526 D C 1.514 177.726 176.300 -0.146 0.000 1.016 526 D CA 1.289 55.224 54.000 -0.108 0.000 0.870 526 D CB 0.305 41.040 40.800 -0.108 0.000 0.917 526 D HN 0.547 nan 8.370 nan 0.000 0.524 527 G N 0.762 109.430 108.800 -0.220 0.000 2.564 527 G HA2 -0.278 3.815 3.960 0.222 0.000 0.273 527 G HA3 -0.278 3.815 3.960 0.222 0.000 0.273 527 G C -0.450 174.134 174.900 -0.528 0.000 1.242 527 G CA -0.336 44.606 45.100 -0.264 0.000 0.951 527 G HN 0.243 nan 8.290 nan 0.000 0.564 528 F N 0.820 120.799 119.950 0.047 0.000 2.551 528 F HA 0.556 5.215 4.527 0.221 0.000 0.316 528 F C 0.302 176.163 175.800 0.102 0.000 1.089 528 F CA -0.819 57.220 58.000 0.064 0.000 0.915 528 F CB 2.367 41.467 39.000 0.165 0.000 1.186 528 F HN 0.315 nan 8.300 nan 0.000 0.456 529 N N 2.524 121.401 118.700 0.296 0.000 2.626 529 N HA 0.110 4.983 4.740 0.222 0.000 0.249 529 N C -1.046 174.602 175.510 0.230 0.000 1.021 529 N CA -0.184 52.994 53.050 0.213 0.000 0.886 529 N CB 1.180 39.749 38.487 0.136 0.000 1.149 529 N HN 0.731 nan 8.380 nan 0.000 0.517 530 D N 1.134 121.656 120.400 0.203 0.000 2.701 530 D HA -0.208 4.566 4.640 0.222 0.000 0.235 530 D C -0.512 175.862 176.300 0.123 0.000 1.155 530 D CA 0.614 54.697 54.000 0.137 0.000 0.649 530 D CB -0.718 40.128 40.800 0.076 0.000 1.050 530 D HN 0.532 nan 8.370 nan 0.000 0.425 531 W N 0.319 121.600 121.300 -0.032 0.000 2.311 531 W HA 0.535 5.322 4.660 0.212 0.000 0.310 531 W C -0.085 176.238 176.519 -0.327 0.000 1.274 531 W CA -0.301 56.907 57.345 -0.229 0.000 1.215 531 W CB 0.693 29.945 29.460 -0.346 0.000 1.227 531 W HN 0.216 nan 8.180 nan 0.000 0.523 532 A N 7.620 129.888 122.820 -0.920 0.000 3.015 532 A HA 0.294 4.747 4.320 0.222 0.000 0.293 532 A C -0.789 176.437 177.584 -0.596 0.000 1.572 532 A CA -0.492 51.191 52.037 -0.590 0.000 1.274 532 A CB -0.978 17.726 19.000 -0.494 0.000 1.156 532 A HN 0.502 nan 8.150 nan 0.000 0.562 533 F N 1.745 121.544 119.950 -0.252 0.000 2.608 533 F HA 0.161 4.819 4.527 0.219 0.000 0.380 533 F C 0.833 176.555 175.800 -0.130 0.000 1.083 533 F CA 0.626 58.546 58.000 -0.132 0.000 1.266 533 F CB 0.536 39.483 39.000 -0.089 0.000 1.076 533 F HN 0.380 nan 8.300 nan 0.000 0.574 534 M N 3.549 123.167 119.600 0.031 0.000 2.383 534 M HA 0.361 4.974 4.480 0.222 0.000 0.325 534 M C -0.844 175.488 176.300 0.054 0.000 1.092 534 M CA -0.198 55.111 55.300 0.014 0.000 0.961 534 M CB 1.954 34.510 32.600 -0.075 0.000 1.672 534 M HN 0.636 nan 8.290 nan 0.000 0.438 535 T N 1.544 116.152 114.554 0.089 0.000 2.876 535 T HA 0.542 5.025 4.350 0.222 0.000 0.289 535 T C 0.616 175.434 174.700 0.196 0.000 1.014 535 T CA -0.204 61.943 62.100 0.078 0.000 0.986 535 T CB 0.969 69.863 68.868 0.043 0.000 1.021 535 T HN 0.828 nan 8.240 nan 0.000 0.458 536 T N 0.382 115.094 114.554 0.264 0.000 3.054 536 T HA 0.205 4.688 4.350 0.222 0.000 0.255 536 T C 1.217 176.224 174.700 0.513 0.000 1.035 536 T CA 0.073 62.413 62.100 0.400 0.000 0.941 536 T CB -0.417 68.646 68.868 0.325 0.000 1.026 536 T HN 0.807 nan 8.240 nan 0.000 0.533 537 H N 0.917 120.069 119.070 0.137 0.000 2.521 537 H HA 0.154 4.837 4.556 0.212 0.000 0.286 537 H C 1.219 176.667 175.328 0.201 0.000 1.034 537 H CA 0.629 56.720 56.048 0.072 0.000 1.278 537 H CB 0.353 30.070 29.762 -0.075 0.000 1.386 537 H HN 0.351 nan 8.280 nan 0.000 0.567 538 S N 0.241 116.159 115.700 0.364 0.000 2.575 538 S HA -0.023 4.580 4.470 0.222 0.000 0.237 538 S C 0.030 174.801 174.600 0.285 0.000 0.975 538 S CA -0.465 57.904 58.200 0.281 0.000 0.960 538 S CB 0.039 63.397 63.200 0.263 0.000 0.822 538 S HN 0.371 nan 8.310 nan 0.000 0.472 539 W N 3.176 124.559 121.300 0.138 0.000 2.385 539 W HA -0.063 4.737 4.660 0.232 0.000 0.336 539 W C 0.019 176.558 176.519 0.034 0.000 1.351 539 W CA 1.019 58.381 57.345 0.027 0.000 1.295 539 W CB 0.054 29.472 29.460 -0.070 0.000 1.239 539 W HN 0.387 nan 8.180 nan 0.000 0.565 540 D N 1.471 121.850 120.400 -0.036 0.000 2.911 540 D HA -0.209 4.564 4.640 0.222 0.000 0.199 540 D C 0.047 176.375 176.300 0.046 0.000 1.041 540 D CA 1.451 55.476 54.000 0.041 0.000 1.013 540 D CB -0.892 40.023 40.800 0.191 0.000 1.093 540 D HN 0.597 nan 8.370 nan 0.000 0.431 541 E N 0.701 120.937 120.200 0.060 0.000 2.345 541 E HA 0.241 4.724 4.350 0.222 0.000 0.259 541 E C 0.087 176.704 176.600 0.028 0.000 1.117 541 E CA -0.488 55.940 56.400 0.047 0.000 0.913 541 E CB 0.716 30.447 29.700 0.051 0.000 1.057 541 E HN 0.016 nan 8.360 nan 0.000 0.432 542 D N 2.010 122.420 120.400 0.017 0.000 2.295 542 D HA 0.062 4.835 4.640 0.222 0.000 0.248 542 D C -1.600 174.733 176.300 0.055 0.000 1.154 542 D CA -2.281 51.730 54.000 0.019 0.000 0.857 542 D CB 1.102 41.907 40.800 0.009 0.000 1.117 542 D HN 0.109 nan 8.370 nan 0.000 0.468 543 P HA 0.049 nan 4.420 nan 0.000 0.233 543 P C 0.094 177.583 177.300 0.315 0.000 1.167 543 P CA -0.019 63.271 63.100 0.316 0.000 0.770 543 P CB 0.163 32.059 31.700 0.326 0.000 0.837 544 A N 0.295 123.213 122.820 0.163 0.000 2.488 544 A HA 0.517 4.970 4.320 0.222 0.000 0.249 544 A C 0.912 178.551 177.584 0.091 0.000 1.083 544 A CA 0.812 52.937 52.037 0.146 0.000 0.768 544 A CB -0.708 18.362 19.000 0.116 0.000 1.017 544 A HN 0.439 nan 8.150 nan 0.000 0.496 545 G N 0.992 109.859 108.800 0.111 0.000 2.302 545 G HA2 0.242 4.335 3.960 0.222 0.000 0.276 545 G HA3 0.242 4.335 3.960 0.222 0.000 0.276 545 G C -0.679 174.272 174.900 0.084 0.000 1.316 545 G CA -0.209 44.917 45.100 0.044 0.000 0.988 545 G HN 1.113 nan 8.290 nan 0.000 0.479 546 E N -0.301 119.906 120.200 0.012 0.000 2.167 546 E HA 0.510 4.993 4.350 0.222 0.000 0.284 546 E C -0.928 175.682 176.600 0.018 0.000 1.016 546 E CA -0.781 55.658 56.400 0.065 0.000 0.817 546 E CB 0.621 30.345 29.700 0.039 0.000 1.080 546 E HN 0.433 nan 8.360 nan 0.000 0.397 547 W N 3.305 124.632 121.300 0.045 0.000 2.449 547 W HA 0.464 5.254 4.660 0.218 0.000 0.331 547 W C -0.847 175.729 176.519 0.095 0.000 1.119 547 W CA -0.466 56.923 57.345 0.073 0.000 1.240 547 W CB 1.638 31.151 29.460 0.089 0.000 1.251 547 W HN 0.214 nan 8.180 nan 0.000 0.576 548 V N 4.362 124.467 119.914 0.318 0.000 2.577 548 V HA 0.389 4.642 4.120 0.222 0.000 0.303 548 V C -1.071 175.136 176.094 0.188 0.000 1.042 548 V CA -1.074 61.351 62.300 0.208 0.000 0.872 548 V CB 1.468 33.347 31.823 0.093 0.000 0.998 548 V HN 0.325 nan 8.190 nan 0.000 0.423 549 L N 4.409 125.703 121.223 0.118 0.000 2.307 549 L HA 0.669 5.142 4.340 0.222 0.000 0.284 549 L C -0.249 176.578 176.870 -0.071 0.000 1.023 549 L CA 0.309 55.110 54.840 -0.065 0.000 0.810 549 L CB 1.563 43.395 42.059 -0.377 0.000 1.231 549 L HN 0.722 nan 8.230 nan 0.000 0.423 550 E N 5.998 126.151 120.200 -0.077 0.000 2.199 550 E HA 0.527 5.010 4.350 0.222 0.000 0.265 550 E C -1.253 175.292 176.600 -0.092 0.000 0.882 550 E CA -0.343 56.024 56.400 -0.055 0.000 0.759 550 E CB 2.203 31.894 29.700 -0.014 0.000 1.148 550 E HN 0.507 nan 8.360 nan 0.000 0.412 551 I N 3.238 123.742 120.570 -0.110 0.000 2.466 551 I HA 0.286 4.590 4.170 0.222 0.000 0.289 551 I C -0.340 175.708 176.117 -0.115 0.000 1.026 551 I CA -0.547 60.660 61.300 -0.154 0.000 1.078 551 I CB 1.563 39.446 38.000 -0.194 0.000 1.249 551 I HN 0.536 nan 8.210 nan 0.000 0.429 552 E N 4.700 124.829 120.200 -0.119 0.000 2.383 552 E HA 0.337 4.820 4.350 0.222 0.000 0.275 552 E C -1.431 175.112 176.600 -0.095 0.000 0.918 552 E CA -1.014 55.337 56.400 -0.082 0.000 0.764 552 E CB 2.066 31.741 29.700 -0.042 0.000 1.252 552 E HN 0.406 nan 8.360 nan 0.000 0.449 553 N N 1.502 120.182 118.700 -0.034 0.000 2.415 553 N HA 0.032 4.905 4.740 0.222 0.000 0.246 553 N C 0.486 176.001 175.510 0.009 0.000 1.078 553 N CA 0.074 53.135 53.050 0.020 0.000 0.942 553 N CB 1.217 39.788 38.487 0.139 0.000 1.140 553 N HN 0.625 nan 8.380 nan 0.000 0.501 554 T N -0.231 114.316 114.554 -0.013 0.000 3.160 554 T HA 0.032 4.515 4.350 0.222 0.000 0.257 554 T C 0.846 175.538 174.700 -0.013 0.000 1.147 554 T CA -0.062 62.025 62.100 -0.021 0.000 1.064 554 T CB -0.182 68.660 68.868 -0.044 0.000 0.949 554 T HN 0.335 nan 8.240 nan 0.000 0.526 555 S N -0.185 115.521 115.700 0.010 0.000 2.690 555 S HA 0.326 4.929 4.470 0.222 0.000 0.291 555 S C 0.900 175.513 174.600 0.023 0.000 1.138 555 S CA -0.724 57.484 58.200 0.013 0.000 1.013 555 S CB 1.364 64.579 63.200 0.026 0.000 1.053 555 S HN 0.164 nan 8.310 nan 0.000 0.539 556 E N 0.957 121.167 120.200 0.018 0.000 2.478 556 E HA 0.203 4.686 4.350 0.222 0.000 0.194 556 E C 0.803 177.420 176.600 0.028 0.000 1.045 556 E CA 0.135 56.546 56.400 0.020 0.000 0.868 556 E CB 0.022 29.729 29.700 0.012 0.000 0.885 556 E HN 0.658 nan 8.360 nan 0.000 0.505 557 A N 1.195 124.036 122.820 0.035 0.000 2.406 557 A HA 0.098 4.552 4.320 0.222 0.000 0.243 557 A C 0.253 177.867 177.584 0.051 0.000 1.082 557 A CA -0.122 51.939 52.037 0.040 0.000 0.786 557 A CB -0.073 18.952 19.000 0.041 0.000 1.029 557 A HN 0.122 nan 8.150 nan 0.000 0.495 558 N N 1.938 120.669 118.700 0.052 0.000 3.124 558 N HA 0.052 4.926 4.740 0.222 0.000 0.284 558 N C -0.597 174.973 175.510 0.100 0.000 1.209 558 N CA -0.374 52.716 53.050 0.067 0.000 1.149 558 N CB 0.015 38.531 38.487 0.049 0.000 1.434 558 N HN 0.542 nan 8.380 nan 0.000 0.529 559 N N 1.376 120.117 118.700 0.067 0.000 2.424 559 N HA 0.168 5.041 4.740 0.222 0.000 0.257 559 N C -0.657 174.805 175.510 -0.079 0.000 1.250 559 N CA 0.315 53.314 53.050 -0.085 0.000 0.946 559 N CB 0.650 39.043 38.487 -0.156 0.000 1.175 559 N HN 0.349 nan 8.380 nan 0.000 0.477 560 Y N -3.438 116.540 120.300 -0.536 0.000 2.609 560 Y HA 0.772 5.456 4.550 0.223 0.000 0.336 560 Y C -0.107 175.544 175.900 -0.414 0.000 1.129 560 Y CA -1.129 56.780 58.100 -0.318 0.000 1.040 560 Y CB 1.197 39.569 38.460 -0.145 0.000 1.310 560 Y HN 0.665 nan 8.280 nan 0.000 0.460 561 G N 0.038 108.888 108.800 0.082 0.000 2.322 561 G HA2 0.501 4.594 3.960 0.222 0.000 0.295 561 G HA3 0.501 4.594 3.960 0.222 0.000 0.295 561 G C -1.925 173.117 174.900 0.236 0.000 1.369 561 G CA -0.735 44.471 45.100 0.178 0.000 0.821 561 G HN 0.759 nan 8.290 nan 0.000 0.536 562 T N 0.165 114.834 114.554 0.192 0.000 2.916 562 T HA 0.525 5.008 4.350 0.222 0.000 0.298 562 T C -1.137 173.638 174.700 0.125 0.000 1.031 562 T CA -0.426 61.760 62.100 0.143 0.000 0.993 562 T CB 1.866 70.805 68.868 0.117 0.000 1.045 562 T HN 0.824 nan 8.240 nan 0.000 0.454 563 L N 3.853 125.135 121.223 0.099 0.000 2.255 563 L HA 0.478 4.951 4.340 0.222 0.000 0.289 563 L C 1.275 178.202 176.870 0.096 0.000 1.046 563 L CA 0.222 55.114 54.840 0.087 0.000 0.816 563 L CB 0.624 42.713 42.059 0.050 0.000 1.197 563 L HN 0.889 nan 8.230 nan 0.000 0.427 564 T N 0.958 115.576 114.554 0.106 0.000 3.014 564 T HA 0.236 4.719 4.350 0.222 0.000 0.250 564 T C 0.598 175.361 174.700 0.104 0.000 1.060 564 T CA -0.026 62.132 62.100 0.097 0.000 1.040 564 T CB 0.025 68.946 68.868 0.089 0.000 0.971 564 T HN 0.482 nan 8.240 nan 0.000 0.497 565 K N 0.088 120.566 120.400 0.130 0.000 2.557 565 K HA 0.507 4.960 4.320 0.222 0.000 0.257 565 K C -2.481 174.257 176.600 0.230 0.000 0.933 565 K CA -0.969 55.405 56.287 0.144 0.000 0.820 565 K CB 1.964 34.531 32.500 0.111 0.000 1.330 565 K HN 0.030 nan 8.250 nan 0.000 0.432 566 F N 3.121 123.082 119.950 0.017 0.000 2.828 566 F HA 0.421 5.079 4.527 0.220 0.000 0.355 566 F C -1.536 174.249 175.800 -0.026 0.000 1.200 566 F CA -0.414 57.587 58.000 0.003 0.000 1.062 566 F CB 1.519 40.519 39.000 -0.001 0.000 1.351 566 F HN 0.344 nan 8.300 nan 0.000 0.504 567 T N 7.209 121.803 114.554 0.066 0.000 2.770 567 T HA 0.489 4.972 4.350 0.222 0.000 0.283 567 T C -0.958 173.605 174.700 -0.228 0.000 0.988 567 T CA -0.427 61.563 62.100 -0.183 0.000 0.957 567 T CB 1.344 70.162 68.868 -0.082 0.000 0.930 567 T HN 0.524 nan 8.240 nan 0.000 0.443 568 L N 5.502 126.448 121.223 -0.463 0.000 2.264 568 L HA 0.597 5.071 4.340 0.222 0.000 0.289 568 L C -0.865 175.807 176.870 -0.331 0.000 1.044 568 L CA -0.287 54.307 54.840 -0.410 0.000 0.807 568 L CB 0.796 42.465 42.059 -0.650 0.000 1.192 568 L HN 0.416 nan 8.230 nan 0.000 0.425 569 V N 6.901 126.663 119.914 -0.254 0.000 2.357 569 V HA 0.413 4.667 4.120 0.222 0.000 0.284 569 V C -0.074 175.851 176.094 -0.282 0.000 1.018 569 V CA -0.549 61.584 62.300 -0.278 0.000 0.841 569 V CB 1.403 33.087 31.823 -0.232 0.000 0.991 569 V HN 0.567 nan 8.190 nan 0.000 0.437 570 L N 5.671 126.694 121.223 -0.334 0.000 2.296 570 L HA 0.588 5.061 4.340 0.222 0.000 0.286 570 L C -1.044 175.656 176.870 -0.284 0.000 1.023 570 L CA -0.550 54.150 54.840 -0.234 0.000 0.812 570 L CB 1.147 43.090 42.059 -0.193 0.000 1.223 570 L HN 0.493 nan 8.230 nan 0.000 0.421 571 Y N 1.374 121.623 120.300 -0.085 0.000 2.409 571 Y HA 0.810 5.501 4.550 0.234 0.000 0.339 571 Y C 0.738 176.557 175.900 -0.135 0.000 1.033 571 Y CA -0.154 57.904 58.100 -0.071 0.000 1.094 571 Y CB 2.309 40.763 38.460 -0.010 0.000 1.210 571 Y HN 0.717 nan 8.280 nan 0.000 0.456 572 G N 0.367 109.185 108.800 0.031 0.000 2.360 572 G HA2 0.433 4.526 3.960 0.222 0.000 0.276 572 G HA3 0.433 4.526 3.960 0.222 0.000 0.276 572 G C -1.194 173.670 174.900 -0.060 0.000 1.256 572 G CA -0.398 44.651 45.100 -0.086 0.000 0.890 572 G HN 0.712 nan 8.290 nan 0.000 0.486 573 T N -2.259 112.242 114.554 -0.088 0.000 2.901 573 T HA 0.915 5.398 4.350 0.222 0.000 0.293 573 T C -0.073 174.565 174.700 -0.104 0.000 1.084 573 T CA 0.257 62.313 62.100 -0.073 0.000 1.008 573 T CB 1.716 70.548 68.868 -0.060 0.000 1.170 573 T HN 2.136 nan 8.240 nan 0.000 0.509 574 A N 1.628 124.396 122.820 -0.086 0.000 2.322 574 A HA 0.943 5.396 4.320 0.222 0.000 0.327 574 A C -2.106 175.444 177.584 -0.057 0.000 1.134 574 A CA -1.710 50.269 52.037 -0.097 0.000 0.831 574 A CB -0.149 18.819 19.000 -0.053 0.000 1.288 574 A HN 0.878 nan 8.150 nan 0.000 0.472 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 575 P CB 0.000 31.691 31.700 -0.015 0.000 0.726