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_D DATA FIRST_RESID 109 DATA SEQUENCE VYQEPTDPKF PQQWYLSGVT QRDLNVKEAW AQGFTGHGIV VSILDDGIEK DATA SEQUENCE NHPDLAGNYD PGASFDVNDQ DPDPQPRYTQ MNDNRHGTRC AGEVAAVANN DATA SEQUENCE GVcGVGVAYN ARIGGVRMLD GEVTDAVEAR SLGLNPNHIH IYSASWGPED DATA SEQUENCE DGKTVDGPAR LAEEAFFRGV SQGRGGLGSI FVWASGNGGR EHDScNCDGY DATA SEQUENCE TNSIYTLSIS SATQFGNVPW YSEAcSSTLA TTYSSGNQNE KQIVTTDLRQ DATA SEQUENCE KcTESHTGTS ASAPLAAGII ALTLEANKNL TWRDMQHLVV QTSKPAHLNA DATA SEQUENCE DDWATNGVGR KVSHSYGYGL LDAGAMVALA QNWTTVAPQR KcIVEILVEP DATA SEQUENCE KDIGKRLEVR KAVTAcLGEP NHITRLEHVQ ARLTLSYNRR GDLAIHLISP DATA SEQUENCE MGTRSTLLAA RPHDYSADGF NDWAFMTTHS WDEDPAGEWV LEIENTSEAN DATA SEQUENCE NYGTLTKFTL VLYGTAP 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.145 176.094 0.086 0.000 1.182 109 V CA 0.000 62.341 62.300 0.068 0.000 1.235 109 V CB 0.000 31.870 31.823 0.079 0.000 1.184 110 Y N 3.784 124.103 120.300 0.032 0.000 2.346 110 Y HA 0.556 5.106 4.550 0.000 0.000 0.330 110 Y C 0.131 176.057 175.900 0.042 0.000 1.178 110 Y CA 0.332 58.457 58.100 0.042 0.000 1.331 110 Y CB 0.689 39.195 38.460 0.075 0.000 1.253 110 Y HN 0.355 nan 8.280 nan 0.000 0.529 111 Q N 5.720 124.969 119.800 -0.917 0.000 2.333 111 Q HA 0.178 4.518 4.340 0.000 0.000 0.265 111 Q C -0.702 174.652 176.000 -1.078 0.000 0.989 111 Q CA -0.867 54.478 55.803 -0.765 0.000 0.842 111 Q CB 1.482 29.998 28.738 -0.370 0.000 1.262 111 Q HN 0.795 nan 8.270 nan 0.000 0.451 112 E N 3.208 123.000 120.200 -0.681 0.000 2.404 112 E HA 0.192 4.542 4.350 0.000 0.000 0.261 112 E C -2.187 174.155 176.600 -0.430 0.000 1.074 112 E CA -1.708 54.482 56.400 -0.350 0.000 0.917 112 E CB 0.066 29.803 29.700 0.062 0.000 0.965 112 E HN 0.168 nan 8.360 nan 0.000 0.433 113 P HA -0.101 nan 4.420 nan 0.000 0.264 113 P C 0.150 177.197 177.300 -0.422 0.000 1.173 113 P CA 0.530 63.195 63.100 -0.724 0.000 0.761 113 P CB 0.479 31.506 31.700 -1.123 0.000 0.794 114 T N -2.481 111.908 114.554 -0.274 0.000 3.054 114 T HA 0.138 4.488 4.350 0.000 0.000 0.255 114 T C 0.053 174.717 174.700 -0.060 0.000 1.035 114 T CA -0.391 61.636 62.100 -0.122 0.000 0.941 114 T CB -0.667 68.133 68.868 -0.114 0.000 1.026 114 T HN 0.198 nan 8.240 nan 0.000 0.533 115 D N 4.438 124.790 120.400 -0.081 0.000 2.525 115 D HA 0.096 4.736 4.640 0.000 0.000 0.235 115 D C -0.994 175.349 176.300 0.071 0.000 1.137 115 D CA -1.133 52.861 54.000 -0.009 0.000 0.868 115 D CB 0.861 41.654 40.800 -0.012 0.000 1.180 115 D HN 0.123 nan 8.370 nan 0.000 0.465 116 P HA -0.234 nan 4.420 nan 0.000 0.217 116 P C 0.642 177.993 177.300 0.085 0.000 1.151 116 P CA 1.386 64.524 63.100 0.063 0.000 0.849 116 P CB 0.305 32.032 31.700 0.045 0.000 0.787 117 K N -1.917 118.544 120.400 0.102 0.000 2.374 117 K HA 0.108 4.428 4.320 0.000 0.000 0.196 117 K C 1.623 178.291 176.600 0.113 0.000 1.023 117 K CA -0.341 56.005 56.287 0.098 0.000 1.103 117 K CB -0.787 31.770 32.500 0.095 0.000 0.848 117 K HN 0.116 nan 8.250 nan 0.000 0.528 118 F N 3.284 123.240 119.950 0.011 0.000 2.161 118 F HA -0.100 4.427 4.527 0.000 0.000 0.300 118 F C -1.104 174.696 175.800 0.001 0.000 1.089 118 F CA 0.758 58.763 58.000 0.008 0.000 1.282 118 F CB -0.889 38.121 39.000 0.017 0.000 1.010 118 F HN 0.020 nan 8.300 nan 0.000 0.485 119 P HA -0.171 nan 4.420 nan 0.000 0.218 119 P C 1.180 178.374 177.300 -0.176 0.000 1.148 119 P CA 1.606 64.596 63.100 -0.183 0.000 0.822 119 P CB -0.053 31.635 31.700 -0.020 0.000 0.784 120 Q N -0.869 118.879 119.800 -0.086 0.000 2.436 120 Q HA -0.036 4.304 4.340 0.000 0.000 0.209 120 Q C 0.879 176.851 176.000 -0.047 0.000 0.965 120 Q CA 0.764 56.569 55.803 0.003 0.000 0.910 120 Q CB -0.642 28.138 28.738 0.070 0.000 0.980 120 Q HN 0.438 nan 8.270 nan 0.000 0.491 121 Q N 0.659 120.260 119.800 -0.332 0.000 3.254 121 Q HA -0.026 4.314 4.340 0.000 0.000 0.315 121 Q C 0.269 175.669 176.000 -0.999 0.000 1.405 121 Q CA -0.324 54.992 55.803 -0.812 0.000 0.966 121 Q CB -0.338 27.989 28.738 -0.685 0.000 1.706 121 Q HN 0.563 nan 8.270 nan 0.000 0.525 122 W N 0.476 121.450 121.300 -0.543 0.000 2.321 122 W HA -0.309 4.351 4.660 0.000 0.000 0.285 122 W C 0.701 177.006 176.519 -0.357 0.000 1.213 122 W CA 0.984 58.110 57.345 -0.366 0.000 1.205 122 W CB -1.078 28.266 29.460 -0.193 0.000 1.134 122 W HN 0.530 nan 8.180 nan 0.000 0.549 123 Y N -0.616 119.125 120.300 -0.932 0.000 2.516 123 Y HA 0.187 4.737 4.550 0.000 0.000 0.291 123 Y C 2.340 178.052 175.900 -0.314 0.000 1.131 123 Y CA 0.576 58.208 58.100 -0.780 0.000 1.281 123 Y CB -1.356 36.424 38.460 -1.133 0.000 1.013 123 Y HN -0.115 nan 8.280 nan 0.000 0.554 124 L N -0.597 120.286 121.223 -0.567 0.000 2.115 124 L HA 0.098 4.438 4.340 0.000 0.000 0.200 124 L C 0.893 177.643 176.870 -0.201 0.000 1.094 124 L CA 0.831 55.512 54.840 -0.265 0.000 0.769 124 L CB -0.337 41.629 42.059 -0.156 0.000 0.931 124 L HN 0.127 nan 8.230 nan 0.000 0.455 125 S N -0.299 115.255 115.700 -0.244 0.000 2.707 125 S HA 0.673 5.144 4.470 0.000 0.000 0.312 125 S C -0.495 174.013 174.600 -0.154 0.000 1.116 125 S CA -0.526 57.606 58.200 -0.113 0.000 1.078 125 S CB 1.092 64.349 63.200 0.094 0.000 0.997 125 S HN 0.295 nan 8.310 nan 0.000 0.477 126 G N 2.274 111.037 108.800 -0.061 0.000 2.707 126 G HA2 0.427 4.387 3.960 0.000 0.000 0.299 126 G HA3 0.427 4.387 3.960 0.000 0.000 0.299 126 G C 0.307 175.208 174.900 0.002 0.000 1.442 126 G CA -0.560 44.524 45.100 -0.026 0.000 1.009 126 G HN 0.759 nan 8.290 nan 0.000 0.515 127 V N 2.428 122.344 119.914 0.004 0.000 3.440 127 V HA -0.036 4.084 4.120 0.000 0.000 0.274 127 V C 1.853 177.951 176.094 0.007 0.000 1.207 127 V CA 2.253 64.561 62.300 0.012 0.000 1.183 127 V CB -0.601 31.229 31.823 0.012 0.000 0.837 127 V HN 0.731 nan 8.190 nan 0.000 0.532 128 T N -0.248 114.309 114.554 0.004 0.000 3.065 128 T HA 0.060 4.410 4.350 0.000 0.000 0.252 128 T C 0.855 175.551 174.700 -0.006 0.000 1.099 128 T CA 0.046 62.140 62.100 -0.009 0.000 1.063 128 T CB -0.058 68.803 68.868 -0.012 0.000 0.948 128 T HN 0.588 nan 8.240 nan 0.000 0.506 129 Q N 0.463 120.273 119.800 0.016 0.000 2.434 129 Q HA -0.200 4.140 4.340 0.000 0.000 0.299 129 Q C 0.138 176.168 176.000 0.050 0.000 1.286 129 Q CA 0.612 56.435 55.803 0.034 0.000 0.872 129 Q CB -1.005 27.755 28.738 0.037 0.000 1.193 129 Q HN 0.478 nan 8.270 nan 0.000 0.466 130 R N 1.184 121.715 120.500 0.053 0.000 2.639 130 R HA 0.221 4.561 4.340 0.000 0.000 0.273 130 R C -1.046 175.339 176.300 0.142 0.000 1.732 130 R CA 0.044 56.204 56.100 0.101 0.000 1.586 130 R CB 0.503 30.806 30.300 0.005 0.000 1.263 130 R HN 0.325 nan 8.270 nan 0.000 0.615 131 D N -0.411 120.127 120.400 0.230 0.000 2.946 131 D HA 0.071 4.711 4.640 0.000 0.000 0.337 131 D C 0.394 176.869 176.300 0.292 0.000 1.332 131 D CA -0.826 53.328 54.000 0.257 0.000 0.935 131 D CB 0.500 41.331 40.800 0.052 0.000 1.440 131 D HN 0.079 nan 8.370 nan 0.000 0.540 132 L N -0.791 120.546 121.223 0.189 0.000 2.599 132 L HA 0.177 4.517 4.340 0.000 0.000 0.230 132 L C 0.356 177.215 176.870 -0.019 0.000 1.141 132 L CA 0.265 55.155 54.840 0.084 0.000 0.877 132 L CB -1.087 41.012 42.059 0.065 0.000 1.009 132 L HN 0.556 nan 8.230 nan 0.000 0.447 133 N N -0.274 118.404 118.700 -0.036 0.000 2.725 133 N HA -0.173 4.567 4.740 0.000 0.000 0.251 133 N C 0.828 176.223 175.510 -0.192 0.000 1.031 133 N CA 0.748 53.748 53.050 -0.084 0.000 0.720 133 N CB -0.891 37.572 38.487 -0.041 0.000 0.930 133 N HN 0.277 nan 8.380 nan 0.000 0.543 134 V N -2.798 116.917 119.914 -0.332 0.000 2.407 134 V HA -0.034 4.086 4.120 0.000 0.000 0.245 134 V C 2.219 177.770 176.094 -0.904 0.000 1.041 134 V CA 1.823 63.740 62.300 -0.639 0.000 1.040 134 V CB -0.520 30.801 31.823 -0.836 0.000 0.671 134 V HN 0.380 nan 8.190 nan 0.000 0.455 135 K N 0.676 120.663 120.400 -0.688 0.000 2.089 135 K HA -0.309 4.011 4.320 0.000 0.000 0.210 135 K C 2.320 178.830 176.600 -0.149 0.000 1.048 135 K CA 2.322 58.433 56.287 -0.293 0.000 0.926 135 K CB -0.262 32.264 32.500 0.042 0.000 0.714 135 K HN 0.770 nan 8.250 nan 0.000 0.448 136 E N -0.397 119.721 120.200 -0.137 0.000 2.153 136 E HA -0.198 4.152 4.350 0.000 0.000 0.194 136 E C 1.640 178.207 176.600 -0.056 0.000 0.988 136 E CA 1.058 57.421 56.400 -0.061 0.000 0.811 136 E CB -0.050 29.626 29.700 -0.040 0.000 0.746 136 E HN 0.404 nan 8.360 nan 0.000 0.466 137 A N 0.557 123.311 122.820 -0.111 0.000 1.898 137 A HA -0.111 4.209 4.320 0.000 0.000 0.214 137 A C 1.750 179.393 177.584 0.097 0.000 1.183 137 A CA 0.879 52.928 52.037 0.020 0.000 0.622 137 A CB -0.821 18.154 19.000 -0.042 0.000 0.824 137 A HN 0.446 nan 8.150 nan 0.000 0.444 138 W N -0.009 121.179 121.300 -0.187 0.000 2.335 138 W HA -0.101 4.559 4.660 0.000 0.000 0.311 138 W C 2.800 178.918 176.519 -0.668 0.000 1.213 138 W CA 0.815 57.912 57.345 -0.414 0.000 1.274 138 W CB -1.374 27.799 29.460 -0.479 0.000 1.148 138 W HN 0.432 nan 8.180 nan 0.000 0.498 139 A N 0.366 122.915 122.820 -0.452 0.000 1.948 139 A HA -0.246 4.074 4.320 0.000 0.000 0.220 139 A C 1.880 179.369 177.584 -0.158 0.000 1.177 139 A CA 1.759 53.582 52.037 -0.357 0.000 0.636 139 A CB -0.954 17.999 19.000 -0.079 0.000 0.815 139 A HN 0.465 nan 8.150 nan 0.000 0.449 140 Q N -1.532 118.201 119.800 -0.112 0.000 2.482 140 Q HA 0.218 4.558 4.340 0.000 0.000 0.209 140 Q C 1.030 176.753 176.000 -0.462 0.000 0.961 140 Q CA 0.378 56.095 55.803 -0.143 0.000 0.945 140 Q CB -0.098 28.676 28.738 0.060 0.000 1.012 140 Q HN 0.939 nan 8.270 nan 0.000 0.515 141 G N 0.556 109.124 108.800 -0.387 0.000 2.141 141 G HA2 -0.236 3.724 3.960 0.000 0.000 0.231 141 G HA3 -0.236 3.724 3.960 0.000 0.000 0.231 141 G C -0.402 174.177 174.900 -0.536 0.000 0.984 141 G CA -0.461 44.370 45.100 -0.447 0.000 0.660 141 G HN 0.243 nan 8.290 nan 0.000 0.525 142 F N 1.577 121.536 119.950 0.014 0.000 2.361 142 F HA 0.600 5.127 4.527 0.000 0.000 0.364 142 F C 1.166 176.966 175.800 0.001 0.000 1.117 142 F CA -0.180 57.827 58.000 0.012 0.000 1.071 142 F CB 1.960 40.959 39.000 -0.001 0.000 1.188 142 F HN 0.132 nan 8.300 nan 0.000 0.464 143 T N -1.990 112.572 114.554 0.013 0.000 3.144 143 T HA 0.444 4.794 4.350 0.000 0.000 0.290 143 T C 1.099 175.578 174.700 -0.368 0.000 0.966 143 T CA 0.173 62.065 62.100 -0.348 0.000 0.907 143 T CB 0.318 68.712 68.868 -0.789 0.000 1.152 143 T HN 0.966 nan 8.240 nan 0.000 0.532 144 G N 1.239 109.939 108.800 -0.168 0.000 2.184 144 G HA2 -0.192 3.768 3.960 0.000 0.000 0.206 144 G HA3 -0.192 3.768 3.960 0.000 0.000 0.206 144 G C -0.141 174.670 174.900 -0.148 0.000 0.995 144 G CA -0.354 44.653 45.100 -0.155 0.000 0.651 144 G HN 0.758 nan 8.290 nan 0.000 0.511 145 H N -0.131 118.929 119.070 -0.016 0.000 3.094 145 H HA 0.352 4.908 4.556 0.000 0.000 0.320 145 H C 1.651 176.976 175.328 -0.005 0.000 1.000 145 H CA 2.034 58.080 56.048 -0.004 0.000 1.413 145 H CB 0.734 30.497 29.762 0.002 0.000 1.405 145 H HN 1.280 nan 8.280 nan 0.000 0.586 146 G N 2.735 111.608 108.800 0.121 0.000 2.184 146 G HA2 -0.260 3.700 3.960 0.000 0.000 0.264 146 G HA3 -0.260 3.700 3.960 0.000 0.000 0.264 146 G C 0.053 174.969 174.900 0.027 0.000 0.975 146 G CA 0.159 45.304 45.100 0.074 0.000 0.642 146 G HN 0.446 nan 8.290 nan 0.000 0.536 147 I N 0.968 121.527 120.570 -0.018 0.000 2.392 147 I HA 0.559 4.729 4.170 0.000 0.000 0.295 147 I C 0.440 176.607 176.117 0.083 0.000 0.985 147 I CA -1.245 60.020 61.300 -0.059 0.000 1.221 147 I CB 1.553 39.472 38.000 -0.136 0.000 1.366 147 I HN -0.120 nan 8.210 nan 0.000 0.467 148 V N 6.785 126.878 119.914 0.298 0.000 2.417 148 V HA 0.505 4.625 4.120 0.000 0.000 0.291 148 V C -0.003 176.041 176.094 -0.083 0.000 1.024 148 V CA -0.660 61.617 62.300 -0.039 0.000 0.861 148 V CB 2.250 33.822 31.823 -0.418 0.000 0.985 148 V HN 0.456 nan 8.190 nan 0.000 0.436 149 V N 3.418 123.271 119.914 -0.102 0.000 2.604 149 V HA 0.624 4.744 4.120 0.000 0.000 0.305 149 V C -0.106 175.917 176.094 -0.119 0.000 1.043 149 V CA -0.353 61.879 62.300 -0.114 0.000 0.888 149 V CB 2.181 33.974 31.823 -0.049 0.000 0.995 149 V HN 0.833 nan 8.190 nan 0.000 0.429 150 S N 4.351 119.956 115.700 -0.157 0.000 2.500 150 S HA 0.689 5.160 4.470 0.000 0.000 0.301 150 S C -0.858 173.763 174.600 0.035 0.000 1.092 150 S CA -0.601 57.559 58.200 -0.066 0.000 1.030 150 S CB 0.879 64.009 63.200 -0.117 0.000 1.031 150 S HN 0.481 nan 8.310 nan 0.000 0.483 151 I N 5.490 126.106 120.570 0.077 0.000 2.304 151 I HA 0.296 4.466 4.170 0.000 0.000 0.291 151 I C -0.336 175.875 176.117 0.156 0.000 1.018 151 I CA -0.429 60.931 61.300 0.100 0.000 1.260 151 I CB 0.905 38.952 38.000 0.078 0.000 1.390 151 I HN 0.585 nan 8.210 nan 0.000 0.475 152 L N 6.376 127.724 121.223 0.209 0.000 2.282 152 L HA 0.379 4.719 4.340 0.000 0.000 0.287 152 L C 0.308 177.370 176.870 0.320 0.000 1.075 152 L CA 0.218 55.232 54.840 0.290 0.000 0.839 152 L CB 0.544 42.853 42.059 0.418 0.000 1.219 152 L HN 0.633 nan 8.230 nan 0.000 0.434 153 D N 0.903 121.397 120.400 0.156 0.000 4.378 153 D HA 0.017 4.657 4.640 0.000 0.000 0.318 153 D C -0.585 175.703 176.300 -0.019 0.000 1.651 153 D CA -0.155 53.902 54.000 0.095 0.000 0.976 153 D CB 1.051 41.967 40.800 0.193 0.000 1.451 153 D HN 0.542 nan 8.370 nan 0.000 0.665 154 D N 0.162 120.563 120.400 0.001 0.000 2.358 154 D HA 0.421 5.061 4.640 0.000 0.000 0.224 154 D C 0.823 177.102 176.300 -0.035 0.000 1.123 154 D CA 0.199 54.174 54.000 -0.043 0.000 0.833 154 D CB 0.452 41.223 40.800 -0.048 0.000 0.946 154 D HN 0.700 nan 8.370 nan 0.000 0.505 155 G N -0.238 108.560 108.800 -0.004 0.000 2.497 155 G HA2 0.045 4.005 3.960 0.000 0.000 0.686 155 G HA3 0.045 4.005 3.960 0.000 0.000 0.686 155 G C -1.565 173.334 174.900 -0.002 0.000 1.288 155 G CA -0.589 44.507 45.100 -0.007 0.000 0.899 155 G HN 0.439 nan 8.290 nan 0.000 0.608 156 I N -0.306 120.267 120.570 0.004 0.000 2.569 156 I HA 0.572 4.742 4.170 0.000 0.000 0.290 156 I C 0.111 176.208 176.117 -0.034 0.000 1.088 156 I CA -0.807 60.496 61.300 0.005 0.000 1.047 156 I CB 1.790 39.834 38.000 0.074 0.000 1.237 156 I HN 0.713 nan 8.210 nan 0.000 0.421 157 E N 7.389 127.577 120.200 -0.020 0.000 1.775 157 E HA 0.026 4.376 4.350 0.000 0.000 0.266 157 E C 0.967 177.541 176.600 -0.043 0.000 1.191 157 E CA -0.166 56.243 56.400 0.016 0.000 1.048 157 E CB 0.476 30.250 29.700 0.123 0.000 1.081 157 E HN 0.622 nan 8.360 nan 0.000 0.434 158 K N 2.761 123.023 120.400 -0.230 0.000 2.360 158 K HA -0.173 4.147 4.320 0.000 0.000 0.201 158 K C 0.787 177.200 176.600 -0.312 0.000 1.046 158 K CA 1.319 57.269 56.287 -0.561 0.000 0.940 158 K CB -0.049 31.631 32.500 -1.368 0.000 0.748 158 K HN 0.266 nan 8.250 nan 0.000 0.465 159 N N 0.587 119.203 118.700 -0.139 0.000 2.276 159 N HA -0.087 4.653 4.740 0.000 0.000 0.212 159 N C -0.376 175.133 175.510 -0.001 0.000 1.127 159 N CA -0.247 52.765 53.050 -0.064 0.000 0.834 159 N CB -0.336 38.114 38.487 -0.063 0.000 1.014 159 N HN 0.232 nan 8.380 nan 0.000 0.491 160 H N 3.174 122.220 119.070 -0.041 0.000 2.886 160 H HA 0.081 4.638 4.556 0.000 0.000 0.329 160 H C -1.292 174.035 175.328 -0.003 0.000 1.044 160 H CA -0.878 55.164 56.048 -0.010 0.000 1.456 160 H CB 1.526 31.287 29.762 -0.002 0.000 1.464 160 H HN 0.015 nan 8.280 nan 0.000 0.573 161 P HA -0.159 nan 4.420 nan 0.000 0.220 161 P C 0.580 177.977 177.300 0.162 0.000 1.144 161 P CA 1.246 64.361 63.100 0.025 0.000 0.800 161 P CB 0.467 32.122 31.700 -0.074 0.000 0.772 162 D N -1.906 118.737 120.400 0.406 0.000 2.395 162 D HA 0.175 4.815 4.640 0.000 0.000 0.213 162 D C 1.525 177.899 176.300 0.123 0.000 1.110 162 D CA 0.110 54.238 54.000 0.212 0.000 0.835 162 D CB 0.011 40.917 40.800 0.177 0.000 0.965 162 D HN 0.110 nan 8.370 nan 0.000 0.505 163 L N -1.007 120.308 121.223 0.154 0.000 2.694 163 L HA 0.354 4.694 4.340 0.000 0.000 0.228 163 L C 2.280 179.233 176.870 0.138 0.000 1.048 163 L CA 0.427 55.331 54.840 0.106 0.000 0.887 163 L CB -0.173 41.930 42.059 0.073 0.000 1.265 163 L HN -0.085 nan 8.230 nan 0.000 0.492 164 A N 1.116 124.010 122.820 0.123 0.000 1.915 164 A HA -0.256 4.064 4.320 0.000 0.000 0.220 164 A C 2.254 179.922 177.584 0.140 0.000 1.198 164 A CA 2.358 54.465 52.037 0.116 0.000 0.647 164 A CB -1.419 17.621 19.000 0.067 0.000 0.825 164 A HN 0.450 nan 8.150 nan 0.000 0.456 165 G N -0.927 107.934 108.800 0.103 0.000 2.450 165 G HA2 -0.252 3.708 3.960 0.000 0.000 0.220 165 G HA3 -0.252 3.708 3.960 0.000 0.000 0.220 165 G C 1.209 176.167 174.900 0.096 0.000 1.130 165 G CA 1.184 46.336 45.100 0.086 0.000 0.760 165 G HN 0.578 nan 8.290 nan 0.000 0.557 166 N N -1.263 117.504 118.700 0.112 0.000 2.205 166 N HA 0.089 4.829 4.740 0.000 0.000 0.201 166 N C -0.152 175.429 175.510 0.117 0.000 1.128 166 N CA -0.558 52.549 53.050 0.095 0.000 0.867 166 N CB 0.304 38.835 38.487 0.073 0.000 0.996 166 N HN 0.358 nan 8.380 nan 0.000 0.503 167 Y N 2.416 122.741 120.300 0.042 0.000 2.702 167 Y HA 0.033 4.583 4.550 0.000 0.000 0.336 167 Y C -0.075 175.856 175.900 0.052 0.000 1.235 167 Y CA 0.090 58.216 58.100 0.044 0.000 1.492 167 Y CB 0.400 38.887 38.460 0.045 0.000 1.308 167 Y HN -0.091 nan 8.280 nan 0.000 0.589 168 D N 7.743 127.648 120.400 -0.825 0.000 2.473 168 D HA 0.313 4.953 4.640 0.000 0.000 0.253 168 D C -2.341 173.488 176.300 -0.786 0.000 1.233 168 D CA -2.416 51.242 54.000 -0.571 0.000 0.908 168 D CB 1.976 42.666 40.800 -0.182 0.000 1.170 168 D HN 0.262 nan 8.370 nan 0.000 0.558 169 P HA 0.000 nan 4.420 nan 0.000 0.219 169 P C 1.309 178.541 177.300 -0.113 0.000 1.146 169 P CA 0.890 63.829 63.100 -0.269 0.000 0.808 169 P CB 0.360 32.031 31.700 -0.048 0.000 0.779 170 G N -0.276 108.449 108.800 -0.126 0.000 2.534 170 G HA2 -0.079 3.881 3.960 0.000 0.000 0.217 170 G HA3 -0.079 3.881 3.960 0.000 0.000 0.217 170 G C 1.231 176.173 174.900 0.069 0.000 1.128 170 G CA 0.639 45.667 45.100 -0.121 0.000 0.784 170 G HN 0.367 nan 8.290 nan 0.000 0.542 171 A N -0.194 122.664 122.820 0.065 0.000 2.460 171 A HA 0.675 4.996 4.320 0.000 0.000 0.258 171 A C 0.651 178.273 177.584 0.062 0.000 1.300 171 A CA -0.033 52.041 52.037 0.060 0.000 0.913 171 A CB 0.315 19.295 19.000 -0.033 0.000 1.031 171 A HN 0.162 nan 8.150 nan 0.000 0.512 172 S N -1.253 114.504 115.700 0.096 0.000 2.599 172 S HA 0.890 5.360 4.470 0.000 0.000 0.287 172 S C -1.145 173.629 174.600 0.290 0.000 1.105 172 S CA -0.443 57.864 58.200 0.177 0.000 0.899 172 S CB 1.733 65.055 63.200 0.202 0.000 1.100 172 S HN 0.482 nan 8.310 nan 0.000 0.482 173 F N 0.990 120.994 119.950 0.090 0.000 2.765 173 F HA 0.274 4.801 4.527 0.000 0.000 0.313 173 F C -2.183 173.652 175.800 0.059 0.000 1.136 173 F CA -0.570 57.471 58.000 0.069 0.000 0.952 173 F CB 1.257 40.292 39.000 0.059 0.000 1.268 173 F HN 0.557 nan 8.300 nan 0.000 0.441 174 D N 3.253 123.450 120.400 -0.339 0.000 2.472 174 D HA 0.381 5.021 4.640 0.000 0.000 0.234 174 D C 0.427 176.805 176.300 0.130 0.000 1.088 174 D CA -0.029 53.915 54.000 -0.094 0.000 0.882 174 D CB 1.500 42.178 40.800 -0.202 0.000 1.037 174 D HN 0.285 nan 8.370 nan 0.000 0.520 175 V N 3.807 123.895 119.914 0.290 0.000 2.667 175 V HA -0.133 3.987 4.120 0.000 0.000 0.252 175 V C 2.007 178.174 176.094 0.122 0.000 1.065 175 V CA 1.241 63.703 62.300 0.270 0.000 1.083 175 V CB -0.609 31.313 31.823 0.165 0.000 0.692 175 V HN 0.542 nan 8.190 nan 0.000 0.468 176 N N 0.301 119.034 118.700 0.055 0.000 2.166 176 N HA -0.140 4.600 4.740 0.000 0.000 0.186 176 N C 0.830 176.350 175.510 0.016 0.000 1.019 176 N CA 1.338 54.395 53.050 0.012 0.000 0.856 176 N CB 0.017 38.492 38.487 -0.020 0.000 0.993 176 N HN 0.423 nan 8.380 nan 0.000 0.426 177 D N 0.001 120.409 120.400 0.013 0.000 2.440 177 D HA 0.031 4.671 4.640 0.000 0.000 0.216 177 D C -0.194 176.117 176.300 0.018 0.000 1.150 177 D CA 0.110 54.111 54.000 0.001 0.000 0.832 177 D CB 0.315 41.097 40.800 -0.029 0.000 0.992 177 D HN -0.067 nan 8.370 nan 0.000 0.502 178 Q N 1.543 121.397 119.800 0.091 0.000 2.443 178 Q HA -0.196 4.144 4.340 0.000 0.000 0.337 178 Q C -0.868 175.172 176.000 0.067 0.000 1.401 178 Q CA 0.977 56.895 55.803 0.191 0.000 0.943 178 Q CB -1.134 27.686 28.738 0.137 0.000 1.177 178 Q HN 0.456 nan 8.270 nan 0.000 0.394 179 D N -1.407 118.854 120.400 -0.232 0.000 2.602 179 D HA 0.323 4.963 4.640 0.000 0.000 0.236 179 D C -2.341 173.300 176.300 -1.099 0.000 1.209 179 D CA -1.623 52.124 54.000 -0.422 0.000 0.831 179 D CB 1.889 42.557 40.800 -0.221 0.000 1.478 179 D HN -0.155 nan 8.370 nan 0.000 0.438 180 P HA 0.044 nan 4.420 nan 0.000 0.225 180 P C -0.188 176.902 177.300 -0.349 0.000 1.156 180 P CA 0.479 63.179 63.100 -0.667 0.000 0.787 180 P CB 0.243 31.838 31.700 -0.174 0.000 0.802 181 D N 0.715 120.969 120.400 -0.242 0.000 2.336 181 D HA 0.046 4.686 4.640 0.000 0.000 0.249 181 D C -1.585 174.655 176.300 -0.099 0.000 1.213 181 D CA -2.230 51.707 54.000 -0.106 0.000 0.870 181 D CB 0.635 41.391 40.800 -0.074 0.000 1.076 181 D HN 0.144 nan 8.370 nan 0.000 0.483 182 P HA 0.009 nan 4.420 nan 0.000 0.257 182 P C 0.108 177.398 177.300 -0.016 0.000 1.325 182 P CA -0.187 62.913 63.100 -0.000 0.000 0.850 182 P CB 0.273 32.026 31.700 0.089 0.000 1.324 183 Q N 3.060 122.843 119.800 -0.030 0.000 2.283 183 Q HA 0.090 4.430 4.340 0.000 0.000 0.301 183 Q C -1.975 173.999 176.000 -0.043 0.000 1.063 183 Q CA -1.210 54.582 55.803 -0.018 0.000 0.952 183 Q CB -0.045 28.708 28.738 0.025 0.000 1.166 183 Q HN 0.224 nan 8.270 nan 0.000 0.381 184 P HA 0.063 nan 4.420 nan 0.000 0.274 184 P C -1.138 176.004 177.300 -0.264 0.000 1.237 184 P CA -0.229 62.743 63.100 -0.214 0.000 0.793 184 P CB 0.637 32.151 31.700 -0.310 0.000 0.977 185 R N 2.094 122.480 120.500 -0.190 0.000 2.248 185 R HA 0.207 4.547 4.340 0.000 0.000 0.328 185 R C -0.520 175.683 176.300 -0.161 0.000 1.067 185 R CA -0.365 55.680 56.100 -0.092 0.000 0.924 185 R CB -0.281 29.991 30.300 -0.046 0.000 1.013 185 R HN 0.371 nan 8.270 nan 0.000 0.454 186 Y N 2.718 123.012 120.300 -0.011 0.000 2.359 186 Y HA 0.150 4.700 4.550 0.000 0.000 0.330 186 Y C 0.807 176.704 175.900 -0.005 0.000 1.143 186 Y CA 0.329 58.424 58.100 -0.007 0.000 1.318 186 Y CB 1.475 39.929 38.460 -0.010 0.000 1.234 186 Y HN 0.592 nan 8.280 nan 0.000 0.522 187 T N -1.196 113.423 114.554 0.108 0.000 2.896 187 T HA 0.196 4.546 4.350 0.000 0.000 0.297 187 T C 0.566 175.307 174.700 0.069 0.000 1.108 187 T CA -1.085 61.055 62.100 0.066 0.000 1.004 187 T CB 1.832 70.715 68.868 0.024 0.000 1.159 187 T HN 0.707 nan 8.240 nan 0.000 0.499 188 Q N 0.008 119.838 119.800 0.050 0.000 2.197 188 Q HA -0.130 4.210 4.340 0.000 0.000 0.207 188 Q C 1.124 177.148 176.000 0.040 0.000 0.984 188 Q CA 1.433 57.261 55.803 0.043 0.000 0.869 188 Q CB -0.149 28.607 28.738 0.030 0.000 0.906 188 Q HN 0.638 nan 8.270 nan 0.000 0.426 189 M N 0.223 119.843 119.600 0.034 0.000 2.428 189 M HA 0.074 4.554 4.480 0.000 0.000 0.239 189 M C -0.095 176.223 176.300 0.030 0.000 1.121 189 M CA 0.275 55.593 55.300 0.030 0.000 1.019 189 M CB -0.136 32.478 32.600 0.024 0.000 1.485 189 M HN 0.180 nan 8.290 nan 0.000 0.484 190 N N 1.631 120.349 118.700 0.030 0.000 2.735 190 N HA -0.187 4.553 4.740 0.000 0.000 0.248 190 N C 0.121 175.627 175.510 -0.007 0.000 1.083 190 N CA 0.883 53.941 53.050 0.013 0.000 0.703 190 N CB -1.338 37.168 38.487 0.033 0.000 1.005 190 N HN 0.460 nan 8.380 nan 0.000 0.550 191 D N 0.295 120.691 120.400 -0.007 0.000 2.190 191 D HA -0.139 4.501 4.640 0.000 0.000 0.200 191 D C 0.545 176.834 176.300 -0.018 0.000 0.992 191 D CA 1.023 55.019 54.000 -0.006 0.000 0.854 191 D CB -0.054 40.739 40.800 -0.012 0.000 0.936 191 D HN 0.432 nan 8.370 nan 0.000 0.462 192 N N 0.963 119.628 118.700 -0.058 0.000 2.558 192 N HA 0.038 4.778 4.740 0.000 0.000 0.281 192 N C 1.161 176.618 175.510 -0.088 0.000 1.219 192 N CA -0.031 52.974 53.050 -0.076 0.000 0.942 192 N CB 0.516 38.927 38.487 -0.126 0.000 1.241 192 N HN 0.440 nan 8.380 nan 0.000 0.511 193 R N -0.903 119.574 120.500 -0.039 0.000 2.312 193 R HA 0.123 4.463 4.340 0.000 0.000 0.205 193 R C 1.367 177.643 176.300 -0.041 0.000 0.904 193 R CA -0.038 56.030 56.100 -0.054 0.000 1.052 193 R CB -0.335 29.940 30.300 -0.040 0.000 1.014 193 R HN 0.219 nan 8.270 nan 0.000 0.503 194 H N 1.433 120.462 119.070 -0.068 0.000 2.289 194 H HA -0.094 4.462 4.556 0.000 0.000 0.296 194 H C 1.898 177.199 175.328 -0.045 0.000 1.091 194 H CA 2.541 58.566 56.048 -0.039 0.000 1.274 194 H CB -0.074 29.692 29.762 0.006 0.000 1.364 194 H HN 0.439 nan 8.280 nan 0.000 0.490 195 G N -0.722 108.127 108.800 0.082 0.000 2.421 195 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 195 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 195 G C 1.820 176.697 174.900 -0.037 0.000 1.171 195 G CA 1.354 46.478 45.100 0.040 0.000 0.775 195 G HN 0.398 nan 8.290 nan 0.000 0.543 196 T N 0.624 115.136 114.554 -0.070 0.000 2.746 196 T HA -0.087 4.263 4.350 0.000 0.000 0.267 196 T C 2.480 177.078 174.700 -0.171 0.000 1.039 196 T CA 1.154 63.194 62.100 -0.100 0.000 1.142 196 T CB -0.145 68.672 68.868 -0.085 0.000 0.866 196 T HN 0.272 nan 8.240 nan 0.000 0.444 197 R N 0.150 120.497 120.500 -0.255 0.000 2.096 197 R HA -0.042 4.298 4.340 0.000 0.000 0.235 197 R C 2.744 178.874 176.300 -0.283 0.000 1.127 197 R CA 1.354 57.208 56.100 -0.410 0.000 0.968 197 R CB -0.759 29.012 30.300 -0.882 0.000 0.861 197 R HN 0.393 nan 8.270 nan 0.000 0.440 198 C N 0.107 119.293 119.300 -0.190 0.000 2.446 198 C HA 0.008 4.468 4.460 0.000 0.000 0.277 198 C C 2.946 177.918 174.990 -0.030 0.000 1.275 198 C CA 0.565 59.550 59.018 -0.055 0.000 1.727 198 C CB -0.915 26.810 27.740 -0.025 0.000 2.010 198 C HN 0.580 nan 8.230 nan 0.000 0.486 199 A N 1.202 123.999 122.820 -0.038 0.000 1.865 199 A HA -0.016 4.304 4.320 0.000 0.000 0.217 199 A C 2.445 180.020 177.584 -0.016 0.000 1.191 199 A CA 2.265 54.296 52.037 -0.011 0.000 0.623 199 A CB -1.448 17.550 19.000 -0.003 0.000 0.826 199 A HN 0.540 nan 8.150 nan 0.000 0.444 200 G N -0.725 108.037 108.800 -0.063 0.000 2.469 200 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 200 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 200 G C 1.412 176.327 174.900 0.026 0.000 1.136 200 G CA 1.217 46.288 45.100 -0.049 0.000 0.759 200 G HN 0.659 nan 8.290 nan 0.000 0.562 201 E N -0.520 119.699 120.200 0.033 0.000 2.150 201 E HA -0.033 4.317 4.350 0.000 0.000 0.193 201 E C 2.687 179.343 176.600 0.093 0.000 0.985 201 E CA 0.720 57.169 56.400 0.080 0.000 0.814 201 E CB 0.058 29.791 29.700 0.055 0.000 0.752 201 E HN 0.353 nan 8.360 nan 0.000 0.466 202 V N 0.001 119.952 119.914 0.061 0.000 2.331 202 V HA -0.002 4.118 4.120 0.000 0.000 0.242 202 V C 1.237 177.376 176.094 0.075 0.000 1.034 202 V CA 1.508 63.843 62.300 0.060 0.000 1.027 202 V CB 0.162 32.003 31.823 0.031 0.000 0.667 202 V HN 0.254 nan 8.190 nan 0.000 0.457 203 A N -0.436 122.423 122.820 0.065 0.000 3.045 203 A HA 0.755 5.075 4.320 0.000 0.000 0.244 203 A C 0.291 177.921 177.584 0.077 0.000 0.917 203 A CA 0.216 52.297 52.037 0.072 0.000 1.075 203 A CB -0.154 18.872 19.000 0.043 0.000 1.202 203 A HN 0.426 nan 8.150 nan 0.000 0.486 204 A N 0.227 123.097 122.820 0.083 0.000 2.462 204 A HA 0.520 4.840 4.320 0.000 0.000 0.243 204 A C 0.541 178.164 177.584 0.066 0.000 1.076 204 A CA -0.019 52.052 52.037 0.056 0.000 0.773 204 A CB 0.055 19.085 19.000 0.049 0.000 1.010 204 A HN 0.836 nan 8.150 nan 0.000 0.493 205 V N 1.782 121.721 119.914 0.042 0.000 2.694 205 V HA 0.298 4.418 4.120 0.000 0.000 0.306 205 V C 1.044 177.089 176.094 -0.082 0.000 1.054 205 V CA 0.689 62.994 62.300 0.008 0.000 1.161 205 V CB 0.377 32.209 31.823 0.016 0.000 0.916 205 V HN 1.111 nan 8.190 nan 0.000 0.490 206 A N 4.131 126.822 122.820 -0.216 0.000 2.294 206 A HA 0.592 4.912 4.320 0.000 0.000 0.330 206 A C 0.752 178.131 177.584 -0.343 0.000 1.133 206 A CA -0.614 51.147 52.037 -0.460 0.000 0.836 206 A CB 0.263 18.522 19.000 -1.235 0.000 1.190 206 A HN 0.990 nan 8.150 nan 0.000 0.492 207 N N 0.606 119.104 118.700 -0.337 0.000 2.727 207 N HA -0.176 4.564 4.740 0.000 0.000 0.249 207 N C -0.027 175.400 175.510 -0.139 0.000 1.048 207 N CA 1.266 54.176 53.050 -0.232 0.000 0.714 207 N CB -0.813 37.523 38.487 -0.252 0.000 0.959 207 N HN 0.863 nan 8.380 nan 0.000 0.544 208 N N -1.333 117.304 118.700 -0.105 0.000 2.238 208 N HA 0.198 4.939 4.740 0.000 0.000 0.235 208 N C 1.018 176.506 175.510 -0.037 0.000 1.209 208 N CA 0.529 53.544 53.050 -0.058 0.000 0.879 208 N CB 0.086 38.550 38.487 -0.038 0.000 1.136 208 N HN 0.308 nan 8.380 nan 0.000 0.517 209 G N -0.090 108.684 108.800 -0.042 0.000 2.187 209 G HA2 -0.248 3.712 3.960 0.000 0.000 0.261 209 G HA3 -0.248 3.712 3.960 0.000 0.000 0.261 209 G C -0.526 174.374 174.900 -0.000 0.000 1.000 209 G CA 0.762 45.850 45.100 -0.020 0.000 0.718 209 G HN 0.340 nan 8.290 nan 0.000 0.519 210 V N -0.530 119.388 119.914 0.007 0.000 2.540 210 V HA 0.626 4.746 4.120 0.000 0.000 0.302 210 V C 1.551 177.677 176.094 0.054 0.000 1.035 210 V CA -0.335 61.986 62.300 0.035 0.000 0.873 210 V CB 0.781 32.633 31.823 0.048 0.000 0.992 210 V HN 1.135 nan 8.190 nan 0.000 0.428 211 c N 3.785 122.428 118.600 0.072 0.000 0.169 211 c HA -0.233 4.338 4.570 0.000 0.000 0.017 211 c C 1.707 175.850 174.090 0.088 0.000 0.171 211 c CA 1.746 58.127 56.329 0.087 0.000 0.499 211 c CB -1.176 41.398 42.510 0.107 0.000 3.212 211 c HN 1.365 nan 8.230 nan 0.000 1.118 212 G N -1.041 107.820 108.800 0.101 0.000 3.247 212 G HA2 0.705 4.665 3.960 0.000 0.000 0.163 212 G HA3 0.705 4.665 3.960 0.000 0.000 0.163 212 G C -0.477 174.488 174.900 0.108 0.000 1.206 212 G CA 0.666 45.850 45.100 0.139 0.000 0.918 212 G HN 2.153 nan 8.290 nan 0.000 0.625 213 V N -2.900 117.119 119.914 0.174 0.000 3.114 213 V HA 0.909 5.030 4.120 0.000 0.000 0.308 213 V C 0.164 176.413 176.094 0.259 0.000 1.168 213 V CA -0.140 62.241 62.300 0.135 0.000 1.015 213 V CB 1.400 33.216 31.823 -0.013 0.000 1.050 213 V HN 1.303 nan 8.190 nan 0.000 0.433 214 G N 0.374 109.329 108.800 0.259 0.000 2.502 214 G HA2 0.494 4.454 3.960 0.000 0.000 0.305 214 G HA3 0.494 4.454 3.960 0.000 0.000 0.305 214 G C 0.641 175.780 174.900 0.398 0.000 1.190 214 G CA -0.050 45.212 45.100 0.270 0.000 0.933 214 G HN 1.097 nan 8.290 nan 0.000 0.503 215 V N 0.888 121.003 119.914 0.335 0.000 2.332 215 V HA -0.062 4.058 4.120 0.000 0.000 0.248 215 V C 2.146 178.447 176.094 0.346 0.000 1.055 215 V CA 2.260 64.793 62.300 0.388 0.000 1.038 215 V CB -0.560 31.380 31.823 0.195 0.000 0.651 215 V HN 0.805 nan 8.190 nan 0.000 0.450 216 A N -0.523 122.379 122.820 0.136 0.000 3.056 216 A HA 0.443 4.763 4.320 0.000 0.000 0.328 216 A C 0.700 178.229 177.584 -0.092 0.000 1.233 216 A CA -0.546 51.471 52.037 -0.035 0.000 0.965 216 A CB -0.544 18.438 19.000 -0.029 0.000 1.123 216 A HN 0.598 nan 8.150 nan 0.000 0.502 217 Y N -0.688 119.575 120.300 -0.061 0.000 2.680 217 Y HA 0.036 4.586 4.550 0.000 0.000 0.303 217 Y C 0.834 176.630 175.900 -0.174 0.000 1.166 217 Y CA 0.567 58.589 58.100 -0.129 0.000 1.344 217 Y CB -0.472 37.861 38.460 -0.212 0.000 1.002 217 Y HN 0.456 nan 8.280 nan 0.000 0.537 218 N N 0.398 118.961 118.700 -0.228 0.000 2.177 218 N HA 0.335 5.075 4.740 0.000 0.000 0.218 218 N C 0.133 175.502 175.510 -0.235 0.000 1.182 218 N CA 0.445 53.317 53.050 -0.296 0.000 0.882 218 N CB 0.635 38.580 38.487 -0.902 0.000 1.052 218 N HN 0.395 nan 8.380 nan 0.000 0.519 219 A N 0.769 123.504 122.820 -0.142 0.000 2.257 219 A HA 0.551 4.871 4.320 0.000 0.000 0.289 219 A C 0.378 177.948 177.584 -0.025 0.000 1.095 219 A CA -0.368 51.624 52.037 -0.075 0.000 0.836 219 A CB 0.922 19.887 19.000 -0.059 0.000 1.111 219 A HN -0.009 nan 8.150 nan 0.000 0.497 220 R N -0.151 120.339 120.500 -0.016 0.000 2.349 220 R HA 0.496 4.836 4.340 0.000 0.000 0.299 220 R C -1.340 174.945 176.300 -0.024 0.000 1.027 220 R CA -0.442 55.650 56.100 -0.013 0.000 0.958 220 R CB 1.059 31.347 30.300 -0.021 0.000 1.047 220 R HN 0.574 nan 8.270 nan 0.000 0.468 221 I N 0.740 121.308 120.570 -0.004 0.000 2.465 221 I HA 0.542 4.712 4.170 0.000 0.000 0.291 221 I C -0.179 175.947 176.117 0.015 0.000 1.014 221 I CA -0.256 61.053 61.300 0.014 0.000 1.093 221 I CB 1.977 40.011 38.000 0.057 0.000 1.267 221 I HN 0.685 nan 8.210 nan 0.000 0.431 222 G N 3.888 112.693 108.800 0.007 0.000 2.714 222 G HA2 0.810 4.770 3.960 0.000 0.000 0.292 222 G HA3 0.810 4.770 3.960 0.000 0.000 0.292 222 G C -1.151 173.821 174.900 0.120 0.000 1.308 222 G CA -0.728 44.393 45.100 0.034 0.000 0.964 222 G HN 0.899 nan 8.290 nan 0.000 0.484 223 G N -1.558 107.350 108.800 0.180 0.000 2.682 223 G HA2 0.556 4.516 3.960 0.000 0.000 0.300 223 G HA3 0.556 4.516 3.960 0.000 0.000 0.300 223 G C -1.646 173.353 174.900 0.164 0.000 1.391 223 G CA -0.393 44.802 45.100 0.158 0.000 0.990 223 G HN 0.848 nan 8.290 nan 0.000 0.501 224 V N 1.745 121.753 119.914 0.157 0.000 2.350 224 V HA 0.436 4.556 4.120 0.000 0.000 0.285 224 V C 0.426 176.587 176.094 0.111 0.000 1.014 224 V CA -0.869 61.533 62.300 0.171 0.000 0.831 224 V CB 1.324 33.272 31.823 0.208 0.000 1.000 224 V HN 0.782 nan 8.190 nan 0.000 0.433 225 R N 5.172 125.721 120.500 0.081 0.000 2.248 225 R HA 0.381 4.721 4.340 0.000 0.000 0.337 225 R C 0.446 176.751 176.300 0.009 0.000 1.085 225 R CA -0.120 55.993 56.100 0.022 0.000 0.934 225 R CB 0.345 30.643 30.300 -0.003 0.000 1.034 225 R HN 0.807 nan 8.270 nan 0.000 0.465 226 M N 2.684 122.254 119.600 -0.050 0.000 2.215 226 M HA 0.188 4.668 4.480 0.000 0.000 0.391 226 M C -0.363 175.807 176.300 -0.216 0.000 0.914 226 M CA 0.382 55.622 55.300 -0.100 0.000 1.035 226 M CB 0.604 33.157 32.600 -0.079 0.000 1.944 226 M HN 0.394 nan 8.290 nan 0.000 0.656 227 L N -0.172 120.908 121.223 -0.237 0.000 2.590 227 L HA 0.283 4.623 4.340 0.000 0.000 0.227 227 L C 0.470 177.230 176.870 -0.182 0.000 1.099 227 L CA 0.110 54.773 54.840 -0.295 0.000 0.872 227 L CB 0.196 42.045 42.059 -0.350 0.000 1.088 227 L HN 0.243 nan 8.230 nan 0.000 0.479 228 D N 1.403 121.727 120.400 -0.127 0.000 2.845 228 D HA 0.399 5.039 4.640 0.000 0.000 0.235 228 D C 0.354 176.610 176.300 -0.074 0.000 1.158 228 D CA 0.414 54.359 54.000 -0.091 0.000 0.990 228 D CB -0.090 40.665 40.800 -0.074 0.000 1.094 228 D HN 0.310 nan 8.370 nan 0.000 0.486 229 G N 0.584 109.335 108.800 -0.082 0.000 2.344 229 G HA2 0.011 3.971 3.960 0.000 0.000 0.282 229 G HA3 0.011 3.971 3.960 0.000 0.000 0.282 229 G C -1.227 173.631 174.900 -0.069 0.000 1.281 229 G CA -0.945 44.118 45.100 -0.062 0.000 0.877 229 G HN 0.178 nan 8.290 nan 0.000 0.494 230 E N -0.044 120.125 120.200 -0.052 0.000 2.265 230 E HA 0.383 4.733 4.350 0.000 0.000 0.272 230 E C -0.166 176.395 176.600 -0.066 0.000 1.067 230 E CA -0.370 56.001 56.400 -0.049 0.000 0.900 230 E CB 0.816 30.498 29.700 -0.029 0.000 1.017 230 E HN 0.277 nan 8.360 nan 0.000 0.431 231 V N 6.470 126.330 119.914 -0.089 0.000 2.267 231 V HA 0.056 4.176 4.120 0.000 0.000 0.254 231 V C 0.700 176.758 176.094 -0.060 0.000 1.144 231 V CA -0.227 62.000 62.300 -0.122 0.000 0.992 231 V CB -0.306 31.386 31.823 -0.218 0.000 1.199 231 V HN 0.772 nan 8.190 nan 0.000 0.493 232 T N -0.751 113.781 114.554 -0.037 0.000 2.816 232 T HA 0.155 4.505 4.350 0.000 0.000 0.282 232 T C 1.054 175.761 174.700 0.012 0.000 0.993 232 T CA -0.168 61.929 62.100 -0.005 0.000 0.994 232 T CB 1.300 70.165 68.868 -0.005 0.000 1.025 232 T HN 0.439 nan 8.240 nan 0.000 0.529 233 D N 0.832 121.250 120.400 0.029 0.000 2.104 233 D HA -0.110 4.530 4.640 0.000 0.000 0.194 233 D C 2.297 178.607 176.300 0.015 0.000 0.994 233 D CA 1.901 55.926 54.000 0.040 0.000 0.830 233 D CB -0.701 40.119 40.800 0.034 0.000 0.959 233 D HN 0.718 nan 8.370 nan 0.000 0.452 234 A N -0.141 122.681 122.820 0.003 0.000 1.940 234 A HA -0.122 4.198 4.320 0.000 0.000 0.219 234 A C 2.581 180.157 177.584 -0.014 0.000 1.176 234 A CA 1.646 53.677 52.037 -0.010 0.000 0.631 234 A CB -0.770 18.225 19.000 -0.008 0.000 0.814 234 A HN 0.229 nan 8.150 nan 0.000 0.446 235 V N 0.176 120.083 119.914 -0.012 0.000 2.358 235 V HA -0.255 3.865 4.120 0.000 0.000 0.246 235 V C 2.425 178.510 176.094 -0.014 0.000 1.047 235 V CA 2.238 64.528 62.300 -0.018 0.000 1.035 235 V CB -0.798 31.001 31.823 -0.040 0.000 0.658 235 V HN 0.652 nan 8.190 nan 0.000 0.452 236 E N 0.488 120.689 120.200 0.002 0.000 2.077 236 E HA -0.191 4.160 4.350 0.000 0.000 0.193 236 E C 2.346 178.944 176.600 -0.003 0.000 0.989 236 E CA 1.305 57.740 56.400 0.058 0.000 0.800 236 E CB -0.363 29.442 29.700 0.175 0.000 0.746 236 E HN 0.586 nan 8.360 nan 0.000 0.452 237 A N 1.784 124.579 122.820 -0.041 0.000 1.908 237 A HA -0.204 4.116 4.320 0.000 0.000 0.218 237 A C 2.104 179.636 177.584 -0.086 0.000 1.181 237 A CA 1.360 53.339 52.037 -0.097 0.000 0.627 237 A CB -0.418 18.537 19.000 -0.074 0.000 0.818 237 A HN 0.088 nan 8.150 nan 0.000 0.445 238 R N -0.408 120.059 120.500 -0.055 0.000 2.115 238 R HA -0.023 4.318 4.340 0.000 0.000 0.226 238 R C 2.416 178.697 176.300 -0.032 0.000 1.100 238 R CA 1.361 57.425 56.100 -0.061 0.000 0.980 238 R CB -0.276 29.983 30.300 -0.067 0.000 0.875 238 R HN 0.511 nan 8.270 nan 0.000 0.445 239 S N 1.286 116.991 115.700 0.008 0.000 2.345 239 S HA -0.012 4.459 4.470 0.000 0.000 0.219 239 S C 1.971 176.609 174.600 0.063 0.000 1.031 239 S CA 0.857 59.106 58.200 0.082 0.000 0.984 239 S CB -0.119 63.154 63.200 0.121 0.000 0.874 239 S HN 0.178 nan 8.310 nan 0.000 0.451 240 L N 0.851 122.038 121.223 -0.060 0.000 2.191 240 L HA -0.021 4.319 4.340 0.000 0.000 0.212 240 L C 2.138 178.840 176.870 -0.281 0.000 1.103 240 L CA 1.040 55.724 54.840 -0.259 0.000 0.769 240 L CB -0.545 41.202 42.059 -0.519 0.000 0.908 240 L HN 0.400 nan 8.230 nan 0.000 0.438 241 G N -0.466 108.258 108.800 -0.127 0.000 3.523 241 G HA2 0.211 4.171 3.960 0.000 0.000 0.270 241 G HA3 0.211 4.171 3.960 0.000 0.000 0.270 241 G C 0.066 174.988 174.900 0.036 0.000 1.134 241 G CA -0.366 44.704 45.100 -0.051 0.000 0.825 241 G HN 0.058 nan 8.290 nan 0.000 0.534 242 L N 0.418 121.715 121.223 0.124 0.000 2.361 242 L HA 0.373 4.713 4.340 0.000 0.000 0.278 242 L C 0.120 177.114 176.870 0.207 0.000 1.113 242 L CA -0.248 54.675 54.840 0.139 0.000 0.849 242 L CB -0.149 42.016 42.059 0.177 0.000 1.155 242 L HN 0.240 nan 8.230 nan 0.000 0.452 243 N N 3.530 122.290 118.700 0.101 0.000 2.688 243 N HA -0.187 4.553 4.740 0.000 0.000 0.258 243 N C -2.064 173.520 175.510 0.124 0.000 1.016 243 N CA 0.827 53.936 53.050 0.098 0.000 0.747 243 N CB -0.756 37.797 38.487 0.111 0.000 0.895 243 N HN 0.557 nan 8.380 nan 0.000 0.543 244 P HA -0.156 nan 4.420 nan 0.000 0.218 244 P C 0.584 177.919 177.300 0.058 0.000 1.146 244 P CA 1.197 64.378 63.100 0.134 0.000 0.820 244 P CB 0.197 31.949 31.700 0.087 0.000 0.778 245 N N -2.759 115.965 118.700 0.039 0.000 2.230 245 N HA -0.016 4.724 4.740 0.000 0.000 0.202 245 N C 1.079 176.582 175.510 -0.012 0.000 1.119 245 N CA 0.353 53.411 53.050 0.015 0.000 0.851 245 N CB -0.148 38.359 38.487 0.034 0.000 0.990 245 N HN 0.314 nan 8.380 nan 0.000 0.497 246 H N -0.260 118.718 119.070 -0.153 0.000 2.521 246 H HA 0.390 4.947 4.556 0.000 0.000 0.267 246 H C 0.144 175.224 175.328 -0.414 0.000 0.963 246 H CA 0.166 56.081 56.048 -0.222 0.000 1.175 246 H CB 0.529 30.212 29.762 -0.132 0.000 1.450 246 H HN -0.107 nan 8.280 nan 0.000 0.472 247 I N 1.636 121.947 120.570 -0.432 0.000 2.371 247 I HA 0.097 4.267 4.170 0.000 0.000 0.290 247 I C 0.498 176.263 176.117 -0.586 0.000 1.028 247 I CA -0.030 60.916 61.300 -0.590 0.000 1.345 247 I CB 1.378 39.013 38.000 -0.609 0.000 1.407 247 I HN 0.431 nan 8.210 nan 0.000 0.501 248 H N 5.300 124.187 119.070 -0.304 0.000 2.418 248 H HA 0.350 4.906 4.556 0.000 0.000 0.300 248 H C -0.077 175.128 175.328 -0.204 0.000 1.041 248 H CA 0.575 56.507 56.048 -0.192 0.000 1.364 248 H CB 0.320 29.999 29.762 -0.139 0.000 1.439 248 H HN 0.381 nan 8.280 nan 0.000 0.540 249 I N 0.771 121.251 120.570 -0.151 0.000 2.498 249 I HA 0.205 4.375 4.170 0.000 0.000 0.290 249 I C -1.339 174.643 176.117 -0.226 0.000 1.032 249 I CA -0.889 60.342 61.300 -0.115 0.000 1.073 249 I CB 1.890 39.871 38.000 -0.031 0.000 1.251 249 I HN 0.045 nan 8.210 nan 0.000 0.426 250 Y N 3.533 123.825 120.300 -0.013 0.000 2.352 250 Y HA 0.451 5.001 4.550 0.000 0.000 0.339 250 Y C 0.401 176.346 175.900 0.074 0.000 0.992 250 Y CA -0.590 57.557 58.100 0.079 0.000 1.100 250 Y CB 2.060 40.665 38.460 0.243 0.000 1.192 250 Y HN 0.411 nan 8.280 nan 0.000 0.458 251 S N 2.635 118.419 115.700 0.140 0.000 2.530 251 S HA 0.829 5.299 4.470 0.000 0.000 0.322 251 S C -0.907 173.603 174.600 -0.151 0.000 1.085 251 S CA -0.498 57.701 58.200 -0.001 0.000 1.096 251 S CB 0.123 63.323 63.200 -0.001 0.000 0.988 251 S HN 0.748 nan 8.310 nan 0.000 0.466 252 A N 3.970 126.467 122.820 -0.537 0.000 2.310 252 A HA 0.634 4.954 4.320 0.000 0.000 0.304 252 A C -0.059 176.850 177.584 -1.126 0.000 1.231 252 A CA -0.600 50.796 52.037 -1.068 0.000 0.799 252 A CB 0.962 18.546 19.000 -2.358 0.000 1.162 252 A HN 0.649 nan 8.150 nan 0.000 0.486 253 S N 4.571 120.003 115.700 -0.447 0.000 2.912 253 S HA 0.491 4.961 4.470 0.000 0.000 0.184 253 S C -0.636 174.002 174.600 0.064 0.000 1.390 253 S CA -0.500 57.612 58.200 -0.147 0.000 1.088 253 S CB -0.686 62.604 63.200 0.150 0.000 1.284 253 S HN 0.769 nan 8.310 nan 0.000 0.502 254 W N -0.645 120.586 121.300 -0.115 0.000 2.982 254 W HA 0.680 5.340 4.660 0.000 0.000 0.344 254 W C -0.343 176.262 176.519 0.144 0.000 1.215 254 W CA -1.034 56.290 57.345 -0.034 0.000 1.182 254 W CB 0.547 29.942 29.460 -0.108 0.000 1.437 254 W HN 0.403 nan 8.180 nan 0.000 0.570 255 G N 0.364 109.456 108.800 0.487 0.000 2.325 255 G HA2 0.509 4.469 3.960 0.000 0.000 0.295 255 G HA3 0.509 4.469 3.960 0.000 0.000 0.295 255 G C -3.299 171.752 174.900 0.251 0.000 1.274 255 G CA -0.971 44.317 45.100 0.314 0.000 0.857 255 G HN 0.267 nan 8.290 nan 0.000 0.499 256 P HA 0.279 nan 4.420 nan 0.000 0.270 256 P C -0.011 177.369 177.300 0.133 0.000 1.223 256 P CA -0.271 62.942 63.100 0.189 0.000 0.785 256 P CB 0.512 32.337 31.700 0.209 0.000 0.923 257 E N 1.045 121.302 120.200 0.095 0.000 2.568 257 E HA -0.111 4.239 4.350 0.000 0.000 0.262 257 E C -0.367 176.274 176.600 0.068 0.000 0.961 257 E CA 0.337 56.778 56.400 0.069 0.000 0.945 257 E CB 0.084 29.812 29.700 0.047 0.000 0.924 257 E HN 0.292 nan 8.360 nan 0.000 0.467 258 D N 4.132 124.571 120.400 0.064 0.000 3.168 258 D HA -0.005 4.636 4.640 0.000 0.000 0.255 258 D C -0.116 176.213 176.300 0.048 0.000 1.314 258 D CA 0.036 54.074 54.000 0.063 0.000 0.900 258 D CB 0.182 41.022 40.800 0.067 0.000 1.072 258 D HN 0.445 nan 8.370 nan 0.000 0.487 259 D N -1.104 119.317 120.400 0.035 0.000 2.339 259 D HA 0.055 4.695 4.640 0.000 0.000 0.217 259 D C 1.558 177.869 176.300 0.018 0.000 1.050 259 D CA 0.091 54.096 54.000 0.008 0.000 0.856 259 D CB 0.027 40.827 40.800 0.001 0.000 0.922 259 D HN 0.186 nan 8.370 nan 0.000 0.518 260 G N 0.562 109.392 108.800 0.051 0.000 2.143 260 G HA2 -0.372 3.589 3.960 0.000 0.000 0.248 260 G HA3 -0.372 3.589 3.960 0.000 0.000 0.248 260 G C 0.866 175.799 174.900 0.054 0.000 0.991 260 G CA 0.668 45.816 45.100 0.081 0.000 0.689 260 G HN 0.485 nan 8.290 nan 0.000 0.522 261 K N -0.812 119.603 120.400 0.024 0.000 2.464 261 K HA 0.255 4.575 4.320 0.000 0.000 0.206 261 K C 1.067 177.646 176.600 -0.034 0.000 1.186 261 K CA 0.739 57.023 56.287 -0.005 0.000 0.990 261 K CB 1.015 33.528 32.500 0.023 0.000 1.003 261 K HN 0.404 nan 8.250 nan 0.000 0.562 262 T N -0.447 114.092 114.554 -0.024 0.000 2.902 262 T HA 0.504 4.854 4.350 0.000 0.000 0.283 262 T C -0.642 173.999 174.700 -0.098 0.000 1.009 262 T CA -0.637 61.433 62.100 -0.050 0.000 1.051 262 T CB 1.330 70.193 68.868 -0.009 0.000 0.999 262 T HN -0.194 nan 8.240 nan 0.000 0.474 263 V N 4.316 124.122 119.914 -0.180 0.000 2.409 263 V HA 0.608 4.728 4.120 0.000 0.000 0.290 263 V C -0.756 175.166 176.094 -0.287 0.000 1.017 263 V CA -0.589 61.489 62.300 -0.370 0.000 0.841 263 V CB 1.192 32.674 31.823 -0.569 0.000 1.003 263 V HN 1.067 nan 8.190 nan 0.000 0.426 264 D N 2.557 122.881 120.400 -0.128 0.000 2.623 264 D HA 0.796 5.436 4.640 0.000 0.000 0.241 264 D C -0.154 176.325 176.300 0.299 0.000 1.241 264 D CA 0.244 54.298 54.000 0.089 0.000 0.788 264 D CB 2.568 43.440 40.800 0.120 0.000 1.413 264 D HN 0.731 nan 8.370 nan 0.000 0.429 265 G N 0.278 109.240 108.800 0.271 0.000 2.682 265 G HA2 0.625 4.585 3.960 0.000 0.000 0.303 265 G HA3 0.625 4.585 3.960 0.000 0.000 0.303 265 G C -2.780 172.028 174.900 -0.154 0.000 1.341 265 G CA -0.992 44.120 45.100 0.020 0.000 0.784 265 G HN 0.414 nan 8.290 nan 0.000 0.497 266 P HA 0.395 nan 4.420 nan 0.000 0.269 266 P C 0.180 177.455 177.300 -0.041 0.000 1.209 266 P CA 0.280 63.232 63.100 -0.246 0.000 0.776 266 P CB 1.380 32.914 31.700 -0.277 0.000 0.876 267 A N 4.014 126.861 122.820 0.045 0.000 2.388 267 A HA 0.249 4.569 4.320 0.000 0.000 0.280 267 A C 1.829 179.424 177.584 0.018 0.000 1.377 267 A CA -0.335 51.726 52.037 0.040 0.000 0.863 267 A CB 0.006 19.041 19.000 0.058 0.000 1.416 267 A HN 0.482 nan 8.150 nan 0.000 0.517 268 R N -1.186 119.325 120.500 0.018 0.000 2.080 268 R HA -0.133 4.207 4.340 0.000 0.000 0.236 268 R C 1.920 178.220 176.300 0.001 0.000 1.137 268 R CA 1.869 57.976 56.100 0.011 0.000 0.943 268 R CB -0.698 29.610 30.300 0.012 0.000 0.846 268 R HN 0.645 nan 8.270 nan 0.000 0.431 269 L N 0.007 121.227 121.223 -0.005 0.000 2.093 269 L HA -0.090 4.250 4.340 0.000 0.000 0.208 269 L C 2.673 179.511 176.870 -0.053 0.000 1.085 269 L CA 0.952 55.778 54.840 -0.025 0.000 0.755 269 L CB -0.509 41.536 42.059 -0.023 0.000 0.904 269 L HN 0.279 nan 8.230 nan 0.000 0.435 270 A N -0.095 122.698 122.820 -0.045 0.000 1.930 270 A HA -0.231 4.089 4.320 0.000 0.000 0.217 270 A C 2.161 179.673 177.584 -0.119 0.000 1.175 270 A CA 1.673 53.641 52.037 -0.116 0.000 0.627 270 A CB -0.371 18.618 19.000 -0.018 0.000 0.815 270 A HN 0.352 nan 8.150 nan 0.000 0.443 271 E N 0.426 120.622 120.200 -0.006 0.000 2.085 271 E HA -0.194 4.156 4.350 0.000 0.000 0.194 271 E C 1.877 178.502 176.600 0.042 0.000 0.994 271 E CA 1.845 58.284 56.400 0.065 0.000 0.801 271 E CB -0.265 29.455 29.700 0.033 0.000 0.743 271 E HN 0.705 nan 8.360 nan 0.000 0.453 272 E N -0.379 119.822 120.200 0.002 0.000 2.077 272 E HA -0.200 4.150 4.350 0.000 0.000 0.193 272 E C 2.044 178.605 176.600 -0.064 0.000 0.989 272 E CA 0.925 57.321 56.400 -0.007 0.000 0.800 272 E CB -0.238 29.446 29.700 -0.027 0.000 0.746 272 E HN 0.384 nan 8.360 nan 0.000 0.452 273 A N 0.805 123.545 122.820 -0.133 0.000 1.908 273 A HA -0.202 4.119 4.320 0.000 0.000 0.218 273 A C 1.964 179.403 177.584 -0.242 0.000 1.181 273 A CA 1.266 53.180 52.037 -0.205 0.000 0.627 273 A CB -0.939 17.881 19.000 -0.300 0.000 0.818 273 A HN 0.230 nan 8.150 nan 0.000 0.445 274 F N -1.596 118.145 119.950 -0.350 0.000 2.095 274 F HA -0.162 4.365 4.527 0.000 0.000 0.298 274 F C 2.243 177.638 175.800 -0.675 0.000 1.104 274 F CA 1.607 59.247 58.000 -0.599 0.000 1.232 274 F CB -0.321 38.313 39.000 -0.610 0.000 0.987 274 F HN 0.340 nan 8.300 nan 0.000 0.475 275 F N 0.469 120.028 119.950 -0.651 0.000 2.186 275 F HA -0.205 4.322 4.527 0.000 0.000 0.299 275 F C 2.734 178.317 175.800 -0.361 0.000 1.090 275 F CA 0.769 58.339 58.000 -0.716 0.000 1.307 275 F CB -0.175 38.583 39.000 -0.405 0.000 1.019 275 F HN -0.177 nan 8.300 nan 0.000 0.489 276 R N 0.456 120.906 120.500 -0.083 0.000 2.081 276 R HA -0.134 4.206 4.340 0.000 0.000 0.235 276 R C 2.341 178.610 176.300 -0.052 0.000 1.131 276 R CA 1.532 57.565 56.100 -0.113 0.000 0.960 276 R CB -0.857 29.386 30.300 -0.095 0.000 0.856 276 R HN 0.368 nan 8.270 nan 0.000 0.436 277 G N -0.323 108.480 108.800 0.006 0.000 2.422 277 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 277 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 277 G C 1.322 176.232 174.900 0.017 0.000 1.140 277 G CA 0.487 45.638 45.100 0.086 0.000 0.775 277 G HN 0.248 nan 8.290 nan 0.000 0.545 278 V N 0.636 120.502 119.914 -0.080 0.000 2.871 278 V HA -0.064 4.056 4.120 0.000 0.000 0.256 278 V C 2.819 178.813 176.094 -0.166 0.000 1.082 278 V CA 2.067 64.136 62.300 -0.385 0.000 1.105 278 V CB 0.281 31.565 31.823 -0.898 0.000 0.713 278 V HN 0.364 nan 8.190 nan 0.000 0.473 279 S N -0.961 114.725 115.700 -0.023 0.000 2.427 279 S HA -0.011 4.459 4.470 0.000 0.000 0.224 279 S C 1.693 176.325 174.600 0.053 0.000 1.047 279 S CA 0.476 58.712 58.200 0.060 0.000 0.953 279 S CB 0.124 63.298 63.200 -0.044 0.000 0.824 279 S HN 0.639 nan 8.310 nan 0.000 0.502 280 Q N 0.554 120.363 119.800 0.016 0.000 2.316 280 Q HA 0.273 4.613 4.340 0.000 0.000 0.235 280 Q C 1.038 177.064 176.000 0.042 0.000 0.863 280 Q CA -0.084 55.733 55.803 0.024 0.000 0.939 280 Q CB 0.360 29.095 28.738 -0.006 0.000 1.108 280 Q HN 0.437 nan 8.270 nan 0.000 0.522 281 G N 0.879 109.706 108.800 0.045 0.000 2.664 281 G HA2 0.040 4.000 3.960 0.000 0.000 0.242 281 G HA3 0.040 4.000 3.960 0.000 0.000 0.242 281 G C -0.319 174.626 174.900 0.074 0.000 1.225 281 G CA -0.391 44.744 45.100 0.058 0.000 0.849 281 G HN 0.308 nan 8.290 nan 0.000 0.581 282 R N -0.551 119.990 120.500 0.068 0.000 3.322 282 R HA -0.193 4.147 4.340 0.000 0.000 0.253 282 R C 1.440 177.794 176.300 0.091 0.000 0.987 282 R CA 0.754 56.907 56.100 0.088 0.000 0.666 282 R CB -1.642 28.735 30.300 0.128 0.000 1.072 282 R HN 1.982 nan 8.270 nan 0.000 0.447 283 G N -1.423 107.419 108.800 0.071 0.000 2.321 283 G HA2 -0.153 3.807 3.960 0.000 0.000 0.287 283 G HA3 -0.153 3.807 3.960 0.000 0.000 0.287 283 G C 0.984 175.929 174.900 0.076 0.000 1.018 283 G CA 1.087 46.226 45.100 0.066 0.000 0.855 283 G HN 1.458 nan 8.290 nan 0.000 0.507 284 G N -1.935 106.917 108.800 0.087 0.000 2.194 284 G HA2 -0.251 3.709 3.960 0.000 0.000 0.236 284 G HA3 -0.251 3.709 3.960 0.000 0.000 0.236 284 G C 1.132 176.125 174.900 0.155 0.000 0.987 284 G CA 0.679 45.843 45.100 0.107 0.000 0.635 284 G HN 1.140 nan 8.290 nan 0.000 0.520 285 L N 0.824 122.141 121.223 0.156 0.000 2.341 285 L HA 0.450 4.791 4.340 0.000 0.000 0.214 285 L C 1.560 178.611 176.870 0.301 0.000 1.115 285 L CA 0.922 55.880 54.840 0.197 0.000 0.820 285 L CB -0.279 41.871 42.059 0.151 0.000 0.944 285 L HN 1.233 nan 8.230 nan 0.000 0.452 286 G N -0.030 108.911 108.800 0.235 0.000 3.055 286 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 286 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 286 G C -0.350 174.616 174.900 0.110 0.000 1.087 286 G CA -0.668 44.556 45.100 0.205 0.000 0.779 286 G HN 0.004 nan 8.290 nan 0.000 0.599 287 S N 0.633 116.307 115.700 -0.044 0.000 2.568 287 S HA 0.457 4.927 4.470 0.000 0.000 0.282 287 S C 0.943 175.350 174.600 -0.321 0.000 1.338 287 S CA 0.058 58.139 58.200 -0.200 0.000 1.045 287 S CB 0.731 63.655 63.200 -0.459 0.000 0.873 287 S HN 0.602 nan 8.310 nan 0.000 0.516 288 I N 2.828 123.260 120.570 -0.229 0.000 2.330 288 I HA 0.310 4.480 4.170 0.000 0.000 0.289 288 I C -1.103 174.960 176.117 -0.089 0.000 1.001 288 I CA -0.221 61.038 61.300 -0.070 0.000 1.193 288 I CB 0.617 38.652 38.000 0.059 0.000 1.345 288 I HN 0.486 nan 8.210 nan 0.000 0.461 289 F N 6.196 126.341 119.950 0.325 0.000 2.361 289 F HA 0.406 4.934 4.527 0.000 0.000 0.364 289 F C 0.093 176.093 175.800 0.334 0.000 1.120 289 F CA -0.908 57.322 58.000 0.383 0.000 1.102 289 F CB 1.189 40.489 39.000 0.500 0.000 1.183 289 F HN 0.056 nan 8.300 nan 0.000 0.476 290 V N 3.734 123.886 119.914 0.396 0.000 2.427 290 V HA 0.267 4.388 4.120 0.000 0.000 0.286 290 V C -0.567 175.646 176.094 0.197 0.000 1.034 290 V CA -0.815 61.636 62.300 0.252 0.000 0.893 290 V CB 1.428 33.324 31.823 0.122 0.000 0.982 290 V HN 0.715 nan 8.190 nan 0.000 0.452 291 W N 2.798 124.130 121.300 0.052 0.000 2.844 291 W HA 0.723 5.384 4.660 0.000 0.000 0.340 291 W C -0.204 176.301 176.519 -0.024 0.000 1.093 291 W CA -1.027 56.306 57.345 -0.020 0.000 1.212 291 W CB 2.396 31.835 29.460 -0.034 0.000 1.422 291 W HN 0.595 nan 8.180 nan 0.000 0.515 292 A N 2.081 124.922 122.820 0.036 0.000 2.362 292 A HA 0.298 4.618 4.320 0.000 0.000 0.276 292 A C 1.117 178.819 177.584 0.197 0.000 1.153 292 A CA 0.340 52.421 52.037 0.073 0.000 0.813 292 A CB 0.659 19.652 19.000 -0.011 0.000 1.081 292 A HN 0.655 nan 8.150 nan 0.000 0.507 293 S N 2.319 118.106 115.700 0.145 0.000 2.474 293 S HA 0.357 4.827 4.470 0.000 0.000 0.235 293 S C 0.961 175.633 174.600 0.120 0.000 0.997 293 S CA 0.667 58.947 58.200 0.134 0.000 0.949 293 S CB -0.552 62.700 63.200 0.088 0.000 0.766 293 S HN 2.563 nan 8.310 nan 0.000 0.517 294 G N 0.413 109.277 108.800 0.106 0.000 2.402 294 G HA2 0.077 4.037 3.960 0.000 0.000 0.666 294 G HA3 0.077 4.037 3.960 0.000 0.000 0.666 294 G C -0.776 174.167 174.900 0.072 0.000 1.402 294 G CA -0.565 44.590 45.100 0.092 0.000 0.920 294 G HN 0.114 nan 8.290 nan 0.000 0.651 295 N N 0.059 118.786 118.700 0.045 0.000 2.275 295 N HA 0.195 4.935 4.740 0.000 0.000 0.236 295 N C 1.546 177.081 175.510 0.041 0.000 1.154 295 N CA 0.556 53.616 53.050 0.017 0.000 0.866 295 N CB 1.301 39.728 38.487 -0.100 0.000 1.093 295 N HN 0.920 nan 8.380 nan 0.000 0.515 296 G N -0.251 108.583 108.800 0.056 0.000 3.327 296 G HA2 0.104 4.065 3.960 0.000 0.000 0.240 296 G HA3 0.104 4.065 3.960 0.000 0.000 0.240 296 G C 1.360 176.289 174.900 0.049 0.000 1.222 296 G CA 0.153 45.292 45.100 0.065 0.000 0.871 296 G HN 0.259 nan 8.290 nan 0.000 0.525 297 G N 1.122 109.938 108.800 0.027 0.000 2.476 297 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 297 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 297 G C 1.686 176.549 174.900 -0.061 0.000 1.164 297 G CA 0.881 45.965 45.100 -0.027 0.000 0.768 297 G HN 0.498 nan 8.290 nan 0.000 0.560 298 R N 0.309 120.874 120.500 0.108 0.000 2.159 298 R HA -0.077 4.263 4.340 0.000 0.000 0.237 298 R C 1.583 177.868 176.300 -0.025 0.000 1.131 298 R CA 1.356 57.505 56.100 0.082 0.000 0.982 298 R CB -0.000 30.463 30.300 0.272 0.000 0.868 298 R HN 0.251 nan 8.270 nan 0.000 0.453 299 E N -0.392 119.825 120.200 0.028 0.000 2.479 299 E HA -0.017 4.333 4.350 0.000 0.000 0.193 299 E C -0.378 176.378 176.600 0.261 0.000 1.049 299 E CA 0.080 56.568 56.400 0.146 0.000 0.870 299 E CB 0.130 29.867 29.700 0.061 0.000 0.944 299 E HN 0.366 nan 8.360 nan 0.000 0.492 300 H N 0.273 119.426 119.070 0.137 0.000 2.862 300 H HA -0.163 4.393 4.556 0.000 0.000 0.290 300 H C -0.042 175.321 175.328 0.058 0.000 1.211 300 H CA 0.914 57.008 56.048 0.077 0.000 1.140 300 H CB -1.427 28.365 29.762 0.050 0.000 1.341 300 H HN 0.237 nan 8.280 nan 0.000 0.392 301 D N 0.477 120.945 120.400 0.113 0.000 2.368 301 D HA 0.226 4.866 4.640 0.000 0.000 0.240 301 D C 0.175 176.517 176.300 0.071 0.000 1.169 301 D CA 0.274 54.328 54.000 0.090 0.000 0.906 301 D CB 0.959 41.803 40.800 0.074 0.000 1.187 301 D HN 0.227 nan 8.370 nan 0.000 0.435 302 S N 0.765 116.508 115.700 0.072 0.000 2.478 302 S HA 0.266 4.736 4.470 0.000 0.000 0.312 302 S C 1.126 175.779 174.600 0.088 0.000 1.094 302 S CA -0.851 57.390 58.200 0.069 0.000 1.081 302 S CB 0.175 63.419 63.200 0.073 0.000 1.007 302 S HN 0.604 nan 8.310 nan 0.000 0.475 303 c N 3.640 122.288 118.600 0.080 0.000 2.511 303 c HA 0.197 4.767 4.570 0.000 0.000 0.277 303 c C 1.697 175.856 174.090 0.116 0.000 1.451 303 c CA -0.285 56.099 56.329 0.092 0.000 1.735 303 c CB -2.123 40.431 42.510 0.073 0.000 1.704 303 c HN 0.814 nan 8.230 nan 0.000 0.571 304 N N -0.047 118.743 118.700 0.149 0.000 2.461 304 N HA 0.045 4.785 4.740 0.000 0.000 0.188 304 N C 0.854 176.574 175.510 0.350 0.000 1.134 304 N CA 0.530 53.711 53.050 0.218 0.000 0.878 304 N CB -0.291 38.368 38.487 0.286 0.000 0.972 304 N HN 0.589 nan 8.380 nan 0.000 0.456 305 C N 0.093 119.536 119.300 0.238 0.000 2.693 305 C HA 0.204 4.664 4.460 0.000 0.000 0.286 305 C C 0.411 175.506 174.990 0.176 0.000 1.277 305 C CA -0.742 58.345 59.018 0.114 0.000 1.705 305 C CB -1.146 26.605 27.740 0.018 0.000 1.879 305 C HN 0.240 nan 8.230 nan 0.000 0.607 306 D N 0.137 120.699 120.400 0.270 0.000 2.461 306 D HA 0.266 4.906 4.640 0.000 0.000 0.240 306 D C 1.187 177.604 176.300 0.195 0.000 1.094 306 D CA -0.108 54.037 54.000 0.241 0.000 0.868 306 D CB 1.261 42.159 40.800 0.164 0.000 1.062 306 D HN 0.252 nan 8.370 nan 0.000 0.530 307 G N 2.354 111.293 108.800 0.231 0.000 2.498 307 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 307 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 307 G C 0.829 175.410 174.900 -0.532 0.000 1.119 307 G CA 0.809 45.793 45.100 -0.195 0.000 0.766 307 G HN 0.493 nan 8.290 nan 0.000 0.552 308 Y N 1.110 121.169 120.300 -0.402 0.000 2.231 308 Y HA -0.025 4.525 4.550 0.000 0.000 0.294 308 Y C 3.273 178.599 175.900 -0.957 0.000 1.120 308 Y CA 1.544 59.102 58.100 -0.904 0.000 1.141 308 Y CB -0.659 37.007 38.460 -1.324 0.000 1.022 308 Y HN 0.227 nan 8.280 nan 0.000 0.523 309 T N -2.193 112.093 114.554 -0.446 0.000 2.904 309 T HA -0.137 4.213 4.350 0.000 0.000 0.267 309 T C 1.568 176.146 174.700 -0.204 0.000 1.059 309 T CA 1.409 63.363 62.100 -0.244 0.000 1.137 309 T CB -0.561 68.288 68.868 -0.033 0.000 0.879 309 T HN 0.177 nan 8.240 nan 0.000 0.467 310 N N 1.383 119.949 118.700 -0.223 0.000 2.515 310 N HA 0.069 4.809 4.740 0.000 0.000 0.185 310 N C 0.504 175.788 175.510 -0.376 0.000 1.109 310 N CA 0.065 52.978 53.050 -0.229 0.000 0.903 310 N CB -0.198 38.169 38.487 -0.199 0.000 0.969 310 N HN 0.404 nan 8.380 nan 0.000 0.450 311 S N -0.299 115.098 115.700 -0.507 0.000 2.576 311 S HA 0.092 4.562 4.470 0.000 0.000 0.276 311 S C 1.614 175.847 174.600 -0.613 0.000 1.339 311 S CA -0.642 57.154 58.200 -0.674 0.000 1.039 311 S CB 0.232 62.886 63.200 -0.909 0.000 0.902 311 S HN 0.323 nan 8.310 nan 0.000 0.516 312 I N 2.116 122.165 120.570 -0.868 0.000 2.928 312 I HA 0.045 4.215 4.170 0.000 0.000 0.266 312 I C 0.895 176.635 176.117 -0.628 0.000 1.234 312 I CA 0.825 61.576 61.300 -0.915 0.000 1.483 312 I CB -0.422 36.688 38.000 -1.484 0.000 1.097 312 I HN 0.709 nan 8.210 nan 0.000 0.455 313 Y N 2.778 122.782 120.300 -0.494 0.000 2.583 313 Y HA 0.080 4.630 4.550 0.000 0.000 0.293 313 Y C 1.367 177.215 175.900 -0.088 0.000 1.157 313 Y CA 0.188 58.046 58.100 -0.402 0.000 1.315 313 Y CB -0.219 37.869 38.460 -0.621 0.000 1.021 313 Y HN 0.289 nan 8.280 nan 0.000 0.536 314 T N -1.856 112.672 114.554 -0.042 0.000 2.912 314 T HA 0.587 4.937 4.350 0.000 0.000 0.288 314 T C -0.824 173.982 174.700 0.177 0.000 1.030 314 T CA -0.937 61.255 62.100 0.154 0.000 1.020 314 T CB 1.903 70.785 68.868 0.023 0.000 1.056 314 T HN -0.069 nan 8.240 nan 0.000 0.480 315 L N 2.754 124.123 121.223 0.244 0.000 2.270 315 L HA 0.446 4.786 4.340 0.000 0.000 0.286 315 L C 0.766 177.738 176.870 0.170 0.000 1.059 315 L CA -0.213 54.727 54.840 0.166 0.000 0.839 315 L CB 1.084 43.224 42.059 0.134 0.000 1.221 315 L HN 0.827 nan 8.230 nan 0.000 0.431 316 S N 4.509 120.287 115.700 0.129 0.000 2.499 316 S HA 0.527 4.997 4.470 0.000 0.000 0.275 316 S C -0.107 174.556 174.600 0.104 0.000 1.257 316 S CA -0.578 57.706 58.200 0.139 0.000 1.050 316 S CB 0.049 63.301 63.200 0.087 0.000 0.937 316 S HN 0.316 nan 8.310 nan 0.000 0.490 317 I N 4.282 124.917 120.570 0.108 0.000 2.404 317 I HA 0.393 4.563 4.170 0.000 0.000 0.293 317 I C 0.601 176.758 176.117 0.067 0.000 0.992 317 I CA -0.364 60.978 61.300 0.070 0.000 1.149 317 I CB 1.355 39.385 38.000 0.049 0.000 1.315 317 I HN 0.534 nan 8.210 nan 0.000 0.446 318 S N 3.419 119.157 115.700 0.063 0.000 2.758 318 S HA 0.692 5.162 4.470 0.000 0.000 0.292 318 S C 0.097 174.748 174.600 0.084 0.000 1.131 318 S CA -0.500 57.741 58.200 0.068 0.000 0.997 318 S CB 1.785 65.012 63.200 0.046 0.000 1.111 318 S HN 0.651 nan 8.310 nan 0.000 0.552 319 S N 0.089 115.852 115.700 0.104 0.000 2.689 319 S HA 0.887 5.357 4.470 0.000 0.000 0.306 319 S C -0.802 173.899 174.600 0.168 0.000 1.104 319 S CA -0.718 57.556 58.200 0.123 0.000 0.973 319 S CB 1.680 65.008 63.200 0.214 0.000 1.121 319 S HN 0.923 nan 8.310 nan 0.000 0.523 320 A N 1.346 124.258 122.820 0.153 0.000 2.520 320 A HA 0.746 5.066 4.320 0.000 0.000 0.298 320 A C -0.012 177.757 177.584 0.308 0.000 1.051 320 A CA -0.820 51.339 52.037 0.204 0.000 0.690 320 A CB 0.861 19.831 19.000 -0.050 0.000 1.281 320 A HN 0.809 nan 8.150 nan 0.000 0.402 321 T N -0.887 113.835 114.554 0.280 0.000 2.788 321 T HA 0.255 4.605 4.350 0.000 0.000 0.287 321 T C 1.145 176.026 174.700 0.302 0.000 1.007 321 T CA 0.475 62.724 62.100 0.248 0.000 1.005 321 T CB 0.771 69.702 68.868 0.105 0.000 1.012 321 T HN 0.792 nan 8.240 nan 0.000 0.530 322 Q N -0.009 119.737 119.800 -0.090 0.000 2.152 322 Q HA -0.126 4.214 4.340 0.000 0.000 0.206 322 Q C 1.139 177.037 176.000 -0.171 0.000 0.985 322 Q CA 1.703 57.167 55.803 -0.565 0.000 0.863 322 Q CB -0.342 27.558 28.738 -1.396 0.000 0.904 322 Q HN 0.865 nan 8.270 nan 0.000 0.422 323 F N -0.617 119.318 119.950 -0.025 0.000 2.664 323 F HA 0.267 4.794 4.527 0.000 0.000 0.301 323 F C 1.205 177.074 175.800 0.114 0.000 1.126 323 F CA -0.144 57.864 58.000 0.013 0.000 1.373 323 F CB 0.520 39.516 39.000 -0.007 0.000 1.042 323 F HN 0.292 nan 8.300 nan 0.000 0.535 324 G N 1.170 110.190 108.800 0.368 0.000 2.198 324 G HA2 -0.274 3.687 3.960 0.000 0.000 0.257 324 G HA3 -0.274 3.687 3.960 0.000 0.000 0.257 324 G C -0.325 174.738 174.900 0.272 0.000 1.042 324 G CA -0.295 44.993 45.100 0.313 0.000 0.791 324 G HN 0.349 nan 8.290 nan 0.000 0.502 325 N N -1.103 117.763 118.700 0.277 0.000 2.483 325 N HA 0.545 5.285 4.740 0.000 0.000 0.285 325 N C 0.247 175.917 175.510 0.266 0.000 1.210 325 N CA -0.600 52.609 53.050 0.265 0.000 0.931 325 N CB 1.617 40.227 38.487 0.204 0.000 1.220 325 N HN 0.019 nan 8.380 nan 0.000 0.542 326 V N 2.744 122.769 119.914 0.185 0.000 2.439 326 V HA 0.157 4.277 4.120 0.000 0.000 0.271 326 V C -1.810 174.234 176.094 -0.084 0.000 1.040 326 V CA -1.009 61.297 62.300 0.010 0.000 1.002 326 V CB 0.317 32.060 31.823 -0.133 0.000 1.000 326 V HN 0.536 nan 8.190 nan 0.000 0.477 327 P HA -0.022 nan 4.420 nan 0.000 0.268 327 P C 0.932 177.924 177.300 -0.514 0.000 1.208 327 P CA -0.158 62.619 63.100 -0.538 0.000 0.777 327 P CB 0.349 31.278 31.700 -1.285 0.000 0.875 328 W N 2.150 123.243 121.300 -0.345 0.000 2.465 328 W HA -0.161 4.499 4.660 0.000 0.000 0.268 328 W C 0.790 177.216 176.519 -0.155 0.000 1.242 328 W CA 0.751 57.991 57.345 -0.174 0.000 1.248 328 W CB -1.469 27.969 29.460 -0.036 0.000 1.118 328 W HN 0.437 nan 8.180 nan 0.000 0.587 329 Y N 1.396 121.226 120.300 -0.783 0.000 2.482 329 Y HA 0.398 4.948 4.550 0.000 0.000 0.270 329 Y C 1.348 177.047 175.900 -0.335 0.000 1.152 329 Y CA -0.420 57.234 58.100 -0.743 0.000 1.292 329 Y CB -1.432 36.278 38.460 -1.251 0.000 1.070 329 Y HN -0.179 nan 8.280 nan 0.000 0.528 330 S N 1.861 117.260 115.700 -0.501 0.000 2.537 330 S HA 0.042 4.513 4.470 0.000 0.000 0.286 330 S C -0.231 174.293 174.600 -0.127 0.000 1.299 330 S CA -0.465 57.578 58.200 -0.262 0.000 1.067 330 S CB 0.179 63.174 63.200 -0.343 0.000 0.864 330 S HN 0.531 nan 8.310 nan 0.000 0.494 331 E N 2.401 122.566 120.200 -0.058 0.000 2.179 331 E HA 0.586 4.936 4.350 0.000 0.000 0.275 331 E C -0.465 176.110 176.600 -0.042 0.000 0.945 331 E CA -0.797 55.587 56.400 -0.027 0.000 0.792 331 E CB 1.702 31.414 29.700 0.021 0.000 1.125 331 E HN 0.695 nan 8.360 nan 0.000 0.397 332 A N 1.957 124.754 122.820 -0.038 0.000 2.303 332 A HA 0.731 5.051 4.320 0.000 0.000 0.317 332 A C -0.279 177.316 177.584 0.018 0.000 1.149 332 A CA -0.458 51.558 52.037 -0.035 0.000 0.822 332 A CB 0.278 19.245 19.000 -0.057 0.000 1.131 332 A HN 0.860 nan 8.150 nan 0.000 0.493 333 c N -0.544 118.096 118.600 0.067 0.000 3.197 333 c HA 0.599 5.169 4.570 0.000 0.000 0.343 333 c C 0.977 175.121 174.090 0.091 0.000 1.291 333 c CA 0.054 56.438 56.329 0.093 0.000 1.191 333 c CB 0.834 43.384 42.510 0.067 0.000 1.444 333 c HN 1.454 nan 8.230 nan 0.000 0.468 334 S N 0.330 116.048 115.700 0.031 0.000 2.562 334 S HA 0.001 4.471 4.470 0.000 0.000 0.221 334 S C 1.211 175.749 174.600 -0.104 0.000 0.975 334 S CA 1.073 59.103 58.200 -0.283 0.000 0.918 334 S CB -0.466 62.528 63.200 -0.342 0.000 0.772 334 S HN 1.814 nan 8.310 nan 0.000 0.531 335 S N 0.445 116.148 115.700 0.005 0.000 2.528 335 S HA 0.117 4.587 4.470 0.000 0.000 0.219 335 S C 0.706 175.343 174.600 0.062 0.000 0.985 335 S CA -0.209 58.016 58.200 0.041 0.000 0.914 335 S CB -0.756 62.451 63.200 0.010 0.000 0.776 335 S HN 0.378 nan 8.310 nan 0.000 0.526 336 T N 2.846 117.435 114.554 0.058 0.000 2.940 336 T HA 0.270 4.620 4.350 0.000 0.000 0.309 336 T C 0.745 175.487 174.700 0.069 0.000 1.056 336 T CA -0.099 62.035 62.100 0.057 0.000 1.137 336 T CB 1.071 69.960 68.868 0.035 0.000 0.976 336 T HN 0.167 nan 8.240 nan 0.000 0.547 337 L N 2.366 123.626 121.223 0.062 0.000 2.349 337 L HA 0.624 4.964 4.340 0.000 0.000 0.200 337 L C 0.766 177.683 176.870 0.078 0.000 1.064 337 L CA 1.006 55.883 54.840 0.061 0.000 0.821 337 L CB -0.258 41.793 42.059 -0.014 0.000 1.027 337 L HN 0.805 nan 8.230 nan 0.000 0.476 338 A N -2.347 120.503 122.820 0.049 0.000 2.529 338 A HA 0.776 5.097 4.320 0.000 0.000 0.296 338 A C -0.930 176.684 177.584 0.050 0.000 1.205 338 A CA -0.244 51.823 52.037 0.051 0.000 0.671 338 A CB 0.834 19.836 19.000 0.004 0.000 1.301 338 A HN -0.004 nan 8.150 nan 0.000 0.450 339 T N 0.696 115.268 114.554 0.029 0.000 2.906 339 T HA 0.807 5.157 4.350 0.000 0.000 0.295 339 T C -0.506 174.148 174.700 -0.076 0.000 1.075 339 T CA 0.083 62.190 62.100 0.012 0.000 1.005 339 T CB 1.746 70.646 68.868 0.054 0.000 1.136 339 T HN 1.413 nan 8.240 nan 0.000 0.498 340 T N -0.872 113.629 114.554 -0.089 0.000 2.883 340 T HA 0.657 5.007 4.350 0.000 0.000 0.301 340 T C -0.993 173.627 174.700 -0.135 0.000 1.158 340 T CA -0.821 61.200 62.100 -0.131 0.000 1.007 340 T CB 0.684 69.511 68.868 -0.068 0.000 1.186 340 T HN 0.456 nan 8.240 nan 0.000 0.499 341 Y N 0.842 121.122 120.300 -0.034 0.000 2.426 341 Y HA 0.511 5.061 4.550 0.000 0.000 0.344 341 Y C 1.462 177.307 175.900 -0.091 0.000 1.256 341 Y CA 0.837 58.940 58.100 0.005 0.000 1.451 341 Y CB 1.011 39.460 38.460 -0.019 0.000 1.342 341 Y HN 0.983 nan 8.280 nan 0.000 0.600 342 S N -0.465 115.401 115.700 0.276 0.000 2.755 342 S HA 0.383 4.853 4.470 0.000 0.000 0.286 342 S C -1.019 173.762 174.600 0.301 0.000 1.207 342 S CA -0.476 57.805 58.200 0.135 0.000 0.892 342 S CB -0.070 63.187 63.200 0.095 0.000 1.240 342 S HN 0.739 nan 8.310 nan 0.000 0.525 343 S N -0.007 115.823 115.700 0.217 0.000 2.589 343 S HA 0.718 5.188 4.470 0.000 0.000 0.265 343 S C 0.641 175.417 174.600 0.294 0.000 1.342 343 S CA 0.325 58.673 58.200 0.246 0.000 1.005 343 S CB 0.579 63.882 63.200 0.173 0.000 0.909 343 S HN 1.328 nan 8.310 nan 0.000 0.555 344 G N 0.957 109.894 108.800 0.229 0.000 3.198 344 G HA2 0.455 4.415 3.960 0.000 0.000 0.166 344 G HA3 0.455 4.415 3.960 0.000 0.000 0.166 344 G C -0.606 174.464 174.900 0.283 0.000 1.134 344 G CA -0.424 44.800 45.100 0.206 0.000 0.941 344 G HN 0.887 nan 8.290 nan 0.000 0.639 345 N N -0.103 118.702 118.700 0.175 0.000 2.322 345 N HA 0.133 4.873 4.740 0.000 0.000 0.270 345 N C 1.366 176.928 175.510 0.086 0.000 1.286 345 N CA 0.325 53.467 53.050 0.153 0.000 0.948 345 N CB 0.087 38.640 38.487 0.110 0.000 1.164 345 N HN 0.732 nan 8.380 nan 0.000 0.551 346 Q N -1.477 118.359 119.800 0.060 0.000 2.364 346 Q HA -0.113 4.227 4.340 0.000 0.000 0.209 346 Q C -0.083 175.929 176.000 0.021 0.000 0.977 346 Q CA 1.626 57.453 55.803 0.040 0.000 0.885 346 Q CB -0.527 28.227 28.738 0.026 0.000 0.941 346 Q HN 0.590 nan 8.270 nan 0.000 0.464 347 N N 0.355 119.066 118.700 0.017 0.000 2.280 347 N HA 0.107 4.847 4.740 0.000 0.000 0.192 347 N C -0.902 174.538 175.510 -0.118 0.000 1.109 347 N CA 0.117 53.175 53.050 0.013 0.000 0.855 347 N CB 0.659 39.212 38.487 0.109 0.000 0.974 347 N HN 0.358 nan 8.380 nan 0.000 0.482 348 E N 0.369 120.439 120.200 -0.217 0.000 2.207 348 E HA 0.286 4.637 4.350 0.000 0.000 0.270 348 E C -0.299 176.109 176.600 -0.320 0.000 0.927 348 E CA -0.939 55.166 56.400 -0.490 0.000 0.799 348 E CB 1.482 30.833 29.700 -0.581 0.000 1.172 348 E HN -0.088 nan 8.360 nan 0.000 0.404 349 K N 1.799 121.901 120.400 -0.497 0.000 2.230 349 K HA 0.117 4.438 4.320 0.000 0.000 0.253 349 K C 0.186 176.859 176.600 0.122 0.000 1.008 349 K CA 0.224 56.358 56.287 -0.254 0.000 0.910 349 K CB 0.440 32.565 32.500 -0.624 0.000 0.994 349 K HN 0.536 nan 8.250 nan 0.000 0.495 350 Q N 0.190 120.213 119.800 0.371 0.000 2.962 350 Q HA 0.475 4.815 4.340 0.000 0.000 0.282 350 Q C -0.161 176.111 176.000 0.454 0.000 1.058 350 Q CA -1.160 54.874 55.803 0.386 0.000 0.854 350 Q CB 0.951 29.817 28.738 0.214 0.000 1.441 350 Q HN 0.294 nan 8.270 nan 0.000 0.497 351 I N 1.557 122.242 120.570 0.191 0.000 2.428 351 I HA 0.215 4.385 4.170 0.000 0.000 0.289 351 I C -0.125 176.121 176.117 0.214 0.000 1.019 351 I CA -0.429 60.912 61.300 0.068 0.000 1.351 351 I CB 0.946 38.832 38.000 -0.190 0.000 1.412 351 I HN 0.280 nan 8.210 nan 0.000 0.513 352 V N 5.665 125.762 119.914 0.306 0.000 2.394 352 V HA 0.642 4.762 4.120 0.000 0.000 0.282 352 V C 0.322 176.522 176.094 0.176 0.000 1.031 352 V CA -0.068 62.367 62.300 0.224 0.000 0.881 352 V CB 1.445 33.389 31.823 0.202 0.000 0.982 352 V HN 0.987 nan 8.190 nan 0.000 0.451 353 T N 2.218 116.830 114.554 0.096 0.000 2.693 353 T HA 0.396 4.746 4.350 0.000 0.000 0.304 353 T C -0.450 174.228 174.700 -0.037 0.000 1.471 353 T CA 0.026 62.143 62.100 0.028 0.000 0.993 353 T CB 1.768 70.627 68.868 -0.015 0.000 1.554 353 T HN 0.831 nan 8.240 nan 0.000 0.496 354 T N 1.506 115.975 114.554 -0.140 0.000 2.851 354 T HA 0.549 4.899 4.350 0.000 0.000 0.298 354 T C -0.453 174.129 174.700 -0.197 0.000 0.977 354 T CA -0.471 61.452 62.100 -0.296 0.000 1.126 354 T CB 0.808 69.230 68.868 -0.744 0.000 0.916 354 T HN 0.527 nan 8.240 nan 0.000 0.529 355 D N 1.308 121.706 120.400 -0.003 0.000 2.414 355 D HA 0.423 5.063 4.640 0.000 0.000 0.241 355 D C 0.270 176.653 176.300 0.138 0.000 1.008 355 D CA -1.030 52.984 54.000 0.024 0.000 1.001 355 D CB 1.467 42.289 40.800 0.038 0.000 1.277 355 D HN 0.562 nan 8.370 nan 0.000 0.538 356 L N 1.458 122.729 121.223 0.080 0.000 2.492 356 L HA 0.094 4.434 4.340 0.000 0.000 0.280 356 L C 0.945 177.923 176.870 0.181 0.000 1.240 356 L CA 0.277 55.193 54.840 0.126 0.000 0.831 356 L CB 0.157 42.245 42.059 0.048 0.000 1.100 356 L HN 0.657 nan 8.230 nan 0.000 0.505 357 R N 1.297 121.953 120.500 0.261 0.000 3.531 357 R HA -0.217 4.123 4.340 0.000 0.000 0.280 357 R C 0.066 176.380 176.300 0.022 0.000 1.130 357 R CA 0.666 56.855 56.100 0.149 0.000 0.757 357 R CB -1.795 28.576 30.300 0.118 0.000 1.218 357 R HN 0.768 nan 8.270 nan 0.000 0.454 358 Q N -2.189 117.585 119.800 -0.044 0.000 2.461 358 Q HA -0.259 4.081 4.340 0.000 0.000 0.273 358 Q C -0.354 175.515 176.000 -0.218 0.000 1.163 358 Q CA 1.647 57.196 55.803 -0.423 0.000 0.929 358 Q CB -0.783 27.748 28.738 -0.344 0.000 1.334 358 Q HN 0.542 nan 8.270 nan 0.000 0.499 359 K N -0.218 120.225 120.400 0.072 0.000 2.240 359 K HA 0.660 4.981 4.320 0.000 0.000 0.237 359 K C -0.424 176.311 176.600 0.224 0.000 1.027 359 K CA -0.535 55.819 56.287 0.111 0.000 0.937 359 K CB 1.613 34.164 32.500 0.085 0.000 1.171 359 K HN 0.225 nan 8.250 nan 0.000 0.479 360 c N 0.563 119.244 118.600 0.136 0.000 2.482 360 c HA 0.561 5.131 4.570 0.000 0.000 0.317 360 c C -0.293 173.848 174.090 0.084 0.000 1.197 360 c CA -0.144 56.258 56.329 0.120 0.000 1.432 360 c CB 1.002 43.579 42.510 0.111 0.000 2.062 360 c HN 0.767 nan 8.230 nan 0.000 0.471 361 T N 2.730 117.325 114.554 0.069 0.000 2.908 361 T HA 0.510 4.860 4.350 0.000 0.000 0.290 361 T C 0.186 174.942 174.700 0.094 0.000 1.034 361 T CA -0.244 61.898 62.100 0.069 0.000 1.010 361 T CB 1.406 70.302 68.868 0.046 0.000 1.068 361 T HN 0.825 nan 8.240 nan 0.000 0.481 362 E N 1.315 121.580 120.200 0.108 0.000 2.603 362 E HA 0.165 4.515 4.350 0.000 0.000 0.211 362 E C 0.148 176.842 176.600 0.156 0.000 0.995 362 E CA -0.169 56.316 56.400 0.141 0.000 0.990 362 E CB 0.710 30.488 29.700 0.130 0.000 1.036 362 E HN 0.558 nan 8.360 nan 0.000 0.475 363 S N -0.363 115.420 115.700 0.139 0.000 2.668 363 S HA 0.145 4.615 4.470 0.000 0.000 0.244 363 S C -0.300 174.400 174.600 0.167 0.000 1.140 363 S CA -0.644 57.642 58.200 0.142 0.000 1.134 363 S CB -0.343 62.925 63.200 0.114 0.000 0.954 363 S HN 0.273 nan 8.310 nan 0.000 0.490 364 H N 2.081 121.171 119.070 0.034 0.000 2.582 364 H HA 0.469 5.025 4.556 0.000 0.000 0.345 364 H C 0.312 175.624 175.328 -0.026 0.000 1.104 364 H CA 0.455 56.492 56.048 -0.020 0.000 1.390 364 H CB 0.952 30.679 29.762 -0.059 0.000 1.461 364 H HN 0.598 nan 8.280 nan 0.000 0.551 365 T N 1.334 115.762 114.554 -0.211 0.000 2.831 365 T HA 0.616 4.966 4.350 0.000 0.000 0.287 365 T C 0.361 174.739 174.700 -0.537 0.000 1.070 365 T CA -0.162 61.769 62.100 -0.283 0.000 1.010 365 T CB 1.500 70.305 68.868 -0.106 0.000 1.264 365 T HN 0.996 nan 8.240 nan 0.000 0.532 366 G N 0.349 108.691 108.800 -0.763 0.000 2.855 366 G HA2 -0.133 3.827 3.960 0.000 0.000 0.352 366 G HA3 -0.133 3.827 3.960 0.000 0.000 0.352 366 G C 0.752 175.296 174.900 -0.592 0.000 1.415 366 G CA 0.623 45.030 45.100 -1.155 0.000 0.871 366 G HN 1.995 nan 8.290 nan 0.000 0.543 367 T N -2.369 111.958 114.554 -0.379 0.000 3.051 367 T HA 0.055 4.405 4.350 0.000 0.000 0.269 367 T C 2.314 176.939 174.700 -0.125 0.000 1.127 367 T CA 2.035 64.076 62.100 -0.097 0.000 1.107 367 T CB -0.100 68.779 68.868 0.017 0.000 0.898 367 T HN 0.823 nan 8.240 nan 0.000 0.517 368 S N 1.133 116.727 115.700 -0.176 0.000 2.474 368 S HA 0.234 4.704 4.470 0.000 0.000 0.235 368 S C 2.343 176.820 174.600 -0.205 0.000 0.997 368 S CA 0.654 58.787 58.200 -0.112 0.000 0.949 368 S CB -0.407 62.791 63.200 -0.004 0.000 0.766 368 S HN 0.789 nan 8.310 nan 0.000 0.517 369 A N 0.476 123.069 122.820 -0.379 0.000 2.030 369 A HA 0.152 4.472 4.320 0.000 0.000 0.215 369 A C 2.209 179.679 177.584 -0.189 0.000 1.164 369 A CA 0.840 52.665 52.037 -0.353 0.000 0.697 369 A CB -0.416 18.266 19.000 -0.531 0.000 0.827 369 A HN 0.393 nan 8.150 nan 0.000 0.457 370 S N 0.165 115.776 115.700 -0.148 0.000 2.371 370 S HA 0.013 4.483 4.470 0.000 0.000 0.224 370 S C 2.339 176.906 174.600 -0.054 0.000 1.029 370 S CA 1.069 59.218 58.200 -0.085 0.000 0.978 370 S CB -0.362 62.819 63.200 -0.033 0.000 0.833 370 S HN 0.747 nan 8.310 nan 0.000 0.466 371 A N 2.690 125.481 122.820 -0.047 0.000 1.865 371 A HA -0.051 4.269 4.320 0.000 0.000 0.217 371 A C 0.094 177.662 177.584 -0.026 0.000 1.191 371 A CA 1.590 53.607 52.037 -0.032 0.000 0.623 371 A CB -1.802 17.158 19.000 -0.065 0.000 0.826 371 A HN 0.451 nan 8.150 nan 0.000 0.444 372 P HA -0.126 nan 4.420 nan 0.000 0.218 372 P C 1.564 178.863 177.300 -0.001 0.000 1.149 372 P CA 0.934 64.028 63.100 -0.009 0.000 0.817 372 P CB -0.210 31.490 31.700 -0.000 0.000 0.785 373 L N -0.552 120.661 121.223 -0.018 0.000 2.083 373 L HA -0.133 4.207 4.340 0.000 0.000 0.209 373 L C 2.764 179.634 176.870 -0.001 0.000 1.083 373 L CA 1.562 56.399 54.840 -0.006 0.000 0.752 373 L CB -1.105 40.923 42.059 -0.052 0.000 0.899 373 L HN -0.042 nan 8.230 nan 0.000 0.433 374 A N -0.084 122.729 122.820 -0.012 0.000 1.930 374 A HA -0.100 4.220 4.320 0.000 0.000 0.217 374 A C 2.535 180.117 177.584 -0.003 0.000 1.175 374 A CA 1.466 53.498 52.037 -0.010 0.000 0.627 374 A CB -0.590 18.409 19.000 -0.003 0.000 0.815 374 A HN 0.381 nan 8.150 nan 0.000 0.443 375 A N -0.330 122.494 122.820 0.006 0.000 1.933 375 A HA 0.105 4.425 4.320 0.000 0.000 0.218 375 A C 2.379 179.965 177.584 0.002 0.000 1.175 375 A CA 1.938 53.980 52.037 0.009 0.000 0.628 375 A CB -1.333 17.674 19.000 0.012 0.000 0.814 375 A HN 0.690 nan 8.150 nan 0.000 0.444 376 G N 0.015 108.823 108.800 0.013 0.000 2.421 376 G HA2 -0.185 3.775 3.960 0.000 0.000 0.216 376 G HA3 -0.185 3.775 3.960 0.000 0.000 0.216 376 G C 1.514 176.419 174.900 0.009 0.000 1.171 376 G CA 1.085 46.200 45.100 0.025 0.000 0.775 376 G HN 0.473 nan 8.290 nan 0.000 0.543 377 I N 0.556 121.124 120.570 -0.003 0.000 2.286 377 I HA -0.116 4.054 4.170 0.000 0.000 0.248 377 I C 2.546 178.629 176.117 -0.056 0.000 1.115 377 I CA 0.836 62.117 61.300 -0.033 0.000 1.392 377 I CB -0.160 37.814 38.000 -0.044 0.000 1.065 377 I HN 0.168 nan 8.210 nan 0.000 0.418 378 I N 0.591 121.132 120.570 -0.047 0.000 2.546 378 I HA -0.187 3.983 4.170 0.000 0.000 0.255 378 I C 2.737 178.811 176.117 -0.072 0.000 1.163 378 I CA 0.825 62.088 61.300 -0.062 0.000 1.457 378 I CB -0.340 37.640 38.000 -0.034 0.000 1.092 378 I HN 0.149 nan 8.210 nan 0.000 0.434 379 A N 1.262 124.049 122.820 -0.055 0.000 1.898 379 A HA -0.119 4.201 4.320 0.000 0.000 0.216 379 A C 2.271 179.806 177.584 -0.082 0.000 1.181 379 A CA 1.179 53.175 52.037 -0.067 0.000 0.620 379 A CB -0.687 18.286 19.000 -0.045 0.000 0.819 379 A HN 0.351 nan 8.150 nan 0.000 0.442 380 L N -0.592 120.594 121.223 -0.061 0.000 2.046 380 L HA -0.166 4.174 4.340 0.000 0.000 0.208 380 L C 2.729 179.490 176.870 -0.183 0.000 1.077 380 L CA 1.805 56.610 54.840 -0.057 0.000 0.747 380 L CB -1.272 40.779 42.059 -0.013 0.000 0.896 380 L HN 0.339 nan 8.230 nan 0.000 0.432 381 T N 0.383 114.825 114.554 -0.186 0.000 2.788 381 T HA -0.158 4.192 4.350 0.000 0.000 0.268 381 T C 2.026 176.584 174.700 -0.236 0.000 1.044 381 T CA 1.122 63.077 62.100 -0.242 0.000 1.139 381 T CB -0.199 68.555 68.868 -0.190 0.000 0.867 381 T HN 0.198 nan 8.240 nan 0.000 0.454 382 L N 0.576 121.691 121.223 -0.179 0.000 2.093 382 L HA -0.080 4.260 4.340 0.000 0.000 0.208 382 L C 2.842 179.613 176.870 -0.165 0.000 1.085 382 L CA 1.396 56.135 54.840 -0.169 0.000 0.755 382 L CB -0.414 41.532 42.059 -0.187 0.000 0.904 382 L HN 0.378 nan 8.230 nan 0.000 0.435 383 E N 0.318 120.432 120.200 -0.142 0.000 2.077 383 E HA -0.251 4.099 4.350 0.000 0.000 0.193 383 E C 2.092 178.659 176.600 -0.054 0.000 0.989 383 E CA 1.219 57.599 56.400 -0.034 0.000 0.800 383 E CB 0.014 29.781 29.700 0.112 0.000 0.746 383 E HN 0.467 nan 8.360 nan 0.000 0.452 384 A N 0.620 123.202 122.820 -0.397 0.000 2.067 384 A HA -0.102 4.218 4.320 0.000 0.000 0.219 384 A C 1.042 178.495 177.584 -0.218 0.000 1.158 384 A CA 1.093 52.745 52.037 -0.642 0.000 0.661 384 A CB 0.011 18.298 19.000 -1.188 0.000 0.801 384 A HN 0.292 nan 8.150 nan 0.000 0.452 385 N N -0.755 117.853 118.700 -0.154 0.000 2.969 385 N HA 0.083 4.823 4.740 0.000 0.000 0.230 385 N C -0.104 175.373 175.510 -0.055 0.000 1.397 385 N CA -0.347 52.665 53.050 -0.064 0.000 0.762 385 N CB 0.538 39.000 38.487 -0.043 0.000 1.495 385 N HN 0.015 nan 8.380 nan 0.000 0.583 386 K N 0.591 120.968 120.400 -0.039 0.000 2.442 386 K HA 0.053 4.373 4.320 0.000 0.000 0.198 386 K C 0.204 176.802 176.600 -0.004 0.000 1.044 386 K CA 0.557 56.817 56.287 -0.045 0.000 0.948 386 K CB 0.210 32.691 32.500 -0.031 0.000 0.762 386 K HN 0.415 nan 8.250 nan 0.000 0.472 387 N N 0.769 119.480 118.700 0.019 0.000 2.268 387 N HA 0.082 4.822 4.740 0.000 0.000 0.204 387 N C 0.067 175.615 175.510 0.064 0.000 1.124 387 N CA 0.038 53.116 53.050 0.048 0.000 0.838 387 N CB 0.298 38.818 38.487 0.055 0.000 0.994 387 N HN 0.115 nan 8.380 nan 0.000 0.489 388 L N 1.341 122.587 121.223 0.039 0.000 2.410 388 L HA 0.089 4.429 4.340 0.000 0.000 0.273 388 L C 1.350 178.255 176.870 0.058 0.000 1.152 388 L CA -0.100 54.759 54.840 0.031 0.000 0.855 388 L CB 0.391 42.419 42.059 -0.052 0.000 1.129 388 L HN 0.093 nan 8.230 nan 0.000 0.463 389 T N -1.084 113.514 114.554 0.073 0.000 2.824 389 T HA 0.069 4.419 4.350 0.000 0.000 0.277 389 T C 1.294 176.065 174.700 0.118 0.000 0.975 389 T CA -0.671 61.499 62.100 0.117 0.000 0.966 389 T CB 0.859 69.773 68.868 0.076 0.000 1.054 389 T HN 0.760 nan 8.240 nan 0.000 0.533 390 W N 0.989 122.350 121.300 0.102 0.000 2.350 390 W HA -0.106 4.554 4.660 0.000 0.000 0.289 390 W C 1.610 178.214 176.519 0.142 0.000 1.215 390 W CA 0.684 58.094 57.345 0.108 0.000 1.236 390 W CB -0.947 28.597 29.460 0.140 0.000 1.130 390 W HN 0.650 nan 8.180 nan 0.000 0.541 391 R N 0.605 120.709 120.500 -0.659 0.000 2.075 391 R HA -0.095 4.245 4.340 0.000 0.000 0.226 391 R C 1.901 178.189 176.300 -0.019 0.000 1.114 391 R CA 1.507 57.303 56.100 -0.507 0.000 0.972 391 R CB -0.524 29.399 30.300 -0.628 0.000 0.869 391 R HN 0.002 nan 8.270 nan 0.000 0.437 392 D N 0.914 121.297 120.400 -0.028 0.000 2.116 392 D HA -0.221 4.419 4.640 0.000 0.000 0.193 392 D C 1.752 177.893 176.300 -0.265 0.000 0.998 392 D CA 1.417 55.361 54.000 -0.094 0.000 0.836 392 D CB -0.104 40.634 40.800 -0.103 0.000 0.951 392 D HN 0.024 nan 8.370 nan 0.000 0.449 393 M N 0.805 120.307 119.600 -0.164 0.000 2.108 393 M HA -0.177 4.304 4.480 0.000 0.000 0.261 393 M C 1.940 178.125 176.300 -0.192 0.000 1.066 393 M CA 1.559 56.755 55.300 -0.172 0.000 1.107 393 M CB -0.254 32.317 32.600 -0.048 0.000 1.356 393 M HN -0.028 nan 8.290 nan 0.000 0.406 394 Q N -1.556 118.163 119.800 -0.135 0.000 2.119 394 Q HA -0.182 4.158 4.340 0.000 0.000 0.201 394 Q C 2.133 177.836 176.000 -0.494 0.000 0.972 394 Q CA 1.296 56.937 55.803 -0.270 0.000 0.847 394 Q CB -0.351 28.295 28.738 -0.153 0.000 0.903 394 Q HN 0.655 nan 8.270 nan 0.000 0.433 395 H N 0.565 119.465 119.070 -0.284 0.000 2.353 395 H HA -0.099 4.457 4.556 0.000 0.000 0.300 395 H C 2.219 177.244 175.328 -0.505 0.000 1.090 395 H CA 1.192 57.074 56.048 -0.277 0.000 1.327 395 H CB 0.001 29.714 29.762 -0.082 0.000 1.383 395 H HN 0.236 nan 8.280 nan 0.000 0.508 396 L N 0.004 120.925 121.223 -0.505 0.000 2.046 396 L HA -0.156 4.184 4.340 0.000 0.000 0.208 396 L C 2.729 179.391 176.870 -0.347 0.000 1.077 396 L CA 0.712 55.256 54.840 -0.493 0.000 0.747 396 L CB -0.476 41.286 42.059 -0.495 0.000 0.896 396 L HN 0.061 nan 8.230 nan 0.000 0.432 397 V N -0.593 119.114 119.914 -0.346 0.000 2.343 397 V HA -0.240 3.880 4.120 0.000 0.000 0.247 397 V C 2.455 178.327 176.094 -0.370 0.000 1.051 397 V CA 1.468 63.590 62.300 -0.296 0.000 1.036 397 V CB -0.251 31.415 31.823 -0.261 0.000 0.654 397 V HN 0.197 nan 8.190 nan 0.000 0.451 398 V N -0.434 119.116 119.914 -0.607 0.000 2.343 398 V HA -0.301 3.819 4.120 0.000 0.000 0.247 398 V C 2.408 178.159 176.094 -0.572 0.000 1.051 398 V CA 2.062 63.816 62.300 -0.909 0.000 1.036 398 V CB -0.651 30.313 31.823 -1.431 0.000 0.654 398 V HN 0.593 nan 8.190 nan 0.000 0.451 399 Q N -0.155 119.434 119.800 -0.351 0.000 2.187 399 Q HA -0.109 4.232 4.340 0.000 0.000 0.199 399 Q C 2.243 178.172 176.000 -0.119 0.000 0.957 399 Q CA 1.807 57.510 55.803 -0.167 0.000 0.857 399 Q CB -0.136 28.576 28.738 -0.044 0.000 0.929 399 Q HN 0.832 nan 8.270 nan 0.000 0.453 400 T N -2.922 111.547 114.554 -0.141 0.000 3.044 400 T HA 0.153 4.503 4.350 0.000 0.000 0.250 400 T C 0.895 175.543 174.700 -0.087 0.000 1.081 400 T CA -0.309 61.731 62.100 -0.100 0.000 1.040 400 T CB 0.314 69.118 68.868 -0.106 0.000 0.962 400 T HN -0.145 nan 8.240 nan 0.000 0.506 401 S N 2.787 118.432 115.700 -0.091 0.000 2.531 401 S HA 0.288 4.758 4.470 0.000 0.000 0.279 401 S C 0.023 174.605 174.600 -0.031 0.000 1.305 401 S CA -0.527 57.645 58.200 -0.047 0.000 1.058 401 S CB 0.369 63.565 63.200 -0.007 0.000 0.899 401 S HN 0.293 nan 8.310 nan 0.000 0.493 402 K N 4.709 125.078 120.400 -0.051 0.000 2.253 402 K HA 0.246 4.566 4.320 0.000 0.000 0.277 402 K C -1.928 174.593 176.600 -0.131 0.000 1.053 402 K CA -2.380 53.854 56.287 -0.089 0.000 0.892 402 K CB 0.955 33.405 32.500 -0.083 0.000 1.102 402 K HN 0.308 nan 8.250 nan 0.000 0.469 403 P HA -0.106 nan 4.420 nan 0.000 0.220 403 P C 0.281 177.276 177.300 -0.509 0.000 1.152 403 P CA 0.484 63.276 63.100 -0.514 0.000 0.812 403 P CB 0.229 31.302 31.700 -1.046 0.000 0.792 404 A N 1.163 123.730 122.820 -0.423 0.000 2.603 404 A HA -0.087 4.233 4.320 0.000 0.000 0.235 404 A C 0.734 178.150 177.584 -0.281 0.000 1.035 404 A CA 0.881 52.661 52.037 -0.429 0.000 0.755 404 A CB -1.030 17.692 19.000 -0.463 0.000 0.954 404 A HN 0.432 nan 8.150 nan 0.000 0.511 405 H N -1.807 117.208 119.070 -0.091 0.000 3.642 405 H HA -0.148 4.408 4.556 0.000 0.000 0.185 405 H C -0.533 174.809 175.328 0.024 0.000 0.992 405 H CA 1.144 57.189 56.048 -0.004 0.000 1.216 405 H CB -1.616 28.171 29.762 0.043 0.000 1.055 405 H HN 0.458 nan 8.280 nan 0.000 0.351 406 L N 2.769 124.033 121.223 0.069 0.000 2.264 406 L HA 0.306 4.647 4.340 0.000 0.000 0.289 406 L C 0.363 177.449 176.870 0.361 0.000 1.044 406 L CA -0.199 54.664 54.840 0.040 0.000 0.807 406 L CB 1.010 42.925 42.059 -0.239 0.000 1.192 406 L HN 0.078 nan 8.230 nan 0.000 0.425 407 N N 3.768 122.689 118.700 0.369 0.000 2.434 407 N HA 0.738 5.479 4.740 0.000 0.000 0.272 407 N C -0.595 175.212 175.510 0.495 0.000 1.040 407 N CA -0.220 53.080 53.050 0.417 0.000 0.956 407 N CB 1.992 40.642 38.487 0.272 0.000 1.108 407 N HN 0.655 nan 8.380 nan 0.000 0.481 408 A N 1.122 124.188 122.820 0.410 0.000 2.604 408 A HA 0.381 4.701 4.320 0.000 0.000 0.295 408 A C -0.720 176.923 177.584 0.098 0.000 1.067 408 A CA -0.672 51.436 52.037 0.119 0.000 0.683 408 A CB 1.028 19.898 19.000 -0.217 0.000 1.281 408 A HN 0.437 nan 8.150 nan 0.000 0.407 409 D N 0.647 121.052 120.400 0.009 0.000 2.339 409 D HA 0.074 4.714 4.640 0.000 0.000 0.217 409 D C 0.227 176.537 176.300 0.016 0.000 1.050 409 D CA 1.020 55.042 54.000 0.037 0.000 0.856 409 D CB 0.473 41.283 40.800 0.017 0.000 0.922 409 D HN 0.613 nan 8.370 nan 0.000 0.518 410 D N -1.094 119.271 120.400 -0.059 0.000 2.599 410 D HA -0.059 4.581 4.640 0.000 0.000 0.249 410 D C -0.316 175.971 176.300 -0.022 0.000 1.313 410 D CA -0.668 53.313 54.000 -0.032 0.000 0.815 410 D CB -0.935 39.846 40.800 -0.033 0.000 1.077 410 D HN 0.036 nan 8.370 nan 0.000 0.492 411 W N 1.644 122.977 121.300 0.056 0.000 2.397 411 W HA 0.427 5.087 4.660 0.000 0.000 0.327 411 W C 0.511 177.038 176.519 0.014 0.000 1.421 411 W CA -0.196 57.165 57.345 0.027 0.000 1.288 411 W CB 0.866 30.343 29.460 0.027 0.000 1.312 411 W HN 0.103 nan 8.180 nan 0.000 0.559 412 A N 2.859 125.837 122.820 0.264 0.000 2.435 412 A HA 0.726 5.046 4.320 0.000 0.000 0.304 412 A C -0.645 177.013 177.584 0.122 0.000 1.064 412 A CA -0.744 51.387 52.037 0.157 0.000 0.727 412 A CB 1.204 20.276 19.000 0.119 0.000 1.284 412 A HN 0.309 nan 8.150 nan 0.000 0.415 413 T N 2.802 117.407 114.554 0.086 0.000 2.771 413 T HA 0.411 4.761 4.350 0.000 0.000 0.291 413 T C 0.529 175.262 174.700 0.055 0.000 0.954 413 T CA -0.399 61.738 62.100 0.062 0.000 1.045 413 T CB 0.418 69.312 68.868 0.043 0.000 0.917 413 T HN 0.858 nan 8.240 nan 0.000 0.484 414 N N 1.742 120.480 118.700 0.063 0.000 2.418 414 N HA 0.314 5.054 4.740 0.000 0.000 0.283 414 N C 1.659 177.205 175.510 0.061 0.000 1.267 414 N CA -0.448 52.645 53.050 0.071 0.000 0.975 414 N CB -0.301 38.251 38.487 0.109 0.000 1.167 414 N HN 0.489 nan 8.380 nan 0.000 0.581 415 G N -1.730 107.102 108.800 0.054 0.000 2.535 415 G HA2 -0.108 3.852 3.960 0.000 0.000 0.218 415 G HA3 -0.108 3.852 3.960 0.000 0.000 0.218 415 G C 0.720 175.647 174.900 0.045 0.000 1.122 415 G CA 1.099 46.219 45.100 0.033 0.000 0.769 415 G HN 0.685 nan 8.290 nan 0.000 0.549 416 V N -3.782 116.176 119.914 0.073 0.000 3.176 416 V HA 0.653 4.773 4.120 0.000 0.000 0.332 416 V C 1.371 177.505 176.094 0.067 0.000 1.414 416 V CA 0.266 62.609 62.300 0.072 0.000 1.133 416 V CB -0.298 31.584 31.823 0.098 0.000 1.088 416 V HN 0.870 nan 8.190 nan 0.000 0.473 417 G N 0.978 109.813 108.800 0.059 0.000 2.159 417 G HA2 -0.263 3.697 3.960 0.000 0.000 0.256 417 G HA3 -0.263 3.697 3.960 0.000 0.000 0.256 417 G C 0.333 175.266 174.900 0.055 0.000 0.977 417 G CA 0.420 45.547 45.100 0.046 0.000 0.652 417 G HN 0.640 nan 8.290 nan 0.000 0.531 418 R N 0.335 120.893 120.500 0.097 0.000 2.428 418 R HA 0.466 4.806 4.340 0.000 0.000 0.294 418 R C 0.216 176.579 176.300 0.106 0.000 1.000 418 R CA -0.572 55.603 56.100 0.126 0.000 0.960 418 R CB 0.903 31.347 30.300 0.241 0.000 1.076 418 R HN 0.145 nan 8.270 nan 0.000 0.475 419 K N 1.622 122.064 120.400 0.070 0.000 2.234 419 K HA 0.304 4.625 4.320 0.000 0.000 0.282 419 K C -0.748 175.951 176.600 0.164 0.000 1.039 419 K CA -0.284 56.057 56.287 0.090 0.000 0.928 419 K CB 1.685 34.141 32.500 -0.074 0.000 1.039 419 K HN 0.170 nan 8.250 nan 0.000 0.470 420 V N 1.475 121.457 119.914 0.115 0.000 2.925 420 V HA 0.522 4.642 4.120 0.000 0.000 0.311 420 V C -1.367 174.508 176.094 -0.365 0.000 1.104 420 V CA -0.381 61.732 62.300 -0.312 0.000 0.954 420 V CB 2.271 33.481 31.823 -1.023 0.000 1.022 420 V HN 0.849 nan 8.190 nan 0.000 0.427 421 S N 2.925 118.201 115.700 -0.707 0.000 2.548 421 S HA 0.543 5.014 4.470 0.000 0.000 0.286 421 S C 0.081 174.410 174.600 -0.453 0.000 1.098 421 S CA -0.398 57.353 58.200 -0.748 0.000 0.930 421 S CB 1.616 63.929 63.200 -1.478 0.000 1.070 421 S HN 0.890 nan 8.310 nan 0.000 0.480 422 H N 2.047 120.995 119.070 -0.203 0.000 2.546 422 H HA 0.210 4.766 4.556 0.000 0.000 0.277 422 H C 1.693 176.883 175.328 -0.230 0.000 1.004 422 H CA 1.326 57.315 56.048 -0.098 0.000 1.231 422 H CB 0.326 30.032 29.762 -0.094 0.000 1.382 422 H HN 0.424 nan 8.280 nan 0.000 0.580 423 S N -1.077 114.408 115.700 -0.360 0.000 2.483 423 S HA 0.065 4.535 4.470 0.000 0.000 0.221 423 S C 0.562 174.799 174.600 -0.605 0.000 1.030 423 S CA 0.285 58.138 58.200 -0.578 0.000 0.925 423 S CB 0.313 62.942 63.200 -0.951 0.000 0.795 423 S HN 0.506 nan 8.310 nan 0.000 0.511 424 Y N 0.570 120.712 120.300 -0.263 0.000 2.563 424 Y HA 0.375 4.925 4.550 0.000 0.000 0.250 424 Y C 1.610 177.425 175.900 -0.140 0.000 1.126 424 Y CA -0.269 57.727 58.100 -0.173 0.000 1.231 424 Y CB 0.400 38.787 38.460 -0.123 0.000 1.288 424 Y HN 0.302 nan 8.280 nan 0.000 0.537 425 G N 1.195 109.933 108.800 -0.103 0.000 2.583 425 G HA2 -0.411 3.549 3.960 0.000 0.000 0.292 425 G HA3 -0.411 3.549 3.960 0.000 0.000 0.292 425 G C 0.253 175.007 174.900 -0.243 0.000 1.203 425 G CA 0.896 45.900 45.100 -0.160 0.000 0.987 425 G HN 0.355 nan 8.290 nan 0.000 0.554 426 Y N 2.927 123.207 120.300 -0.033 0.000 2.490 426 Y HA 0.421 4.971 4.550 0.000 0.000 0.281 426 Y C 1.850 177.830 175.900 0.133 0.000 1.174 426 Y CA 1.764 59.877 58.100 0.022 0.000 1.295 426 Y CB 0.118 38.517 38.460 -0.102 0.000 1.062 426 Y HN 1.590 nan 8.280 nan 0.000 0.522 427 G N -0.153 108.817 108.800 0.284 0.000 2.331 427 G HA2 -0.103 3.857 3.960 0.000 0.000 0.479 427 G HA3 -0.103 3.857 3.960 0.000 0.000 0.479 427 G C -1.720 173.206 174.900 0.043 0.000 1.262 427 G CA -1.032 44.203 45.100 0.225 0.000 1.029 427 G HN -0.012 nan 8.290 nan 0.000 0.487 428 L N 0.693 121.879 121.223 -0.061 0.000 2.380 428 L HA 0.628 4.968 4.340 0.000 0.000 0.273 428 L C 0.926 177.748 176.870 -0.080 0.000 1.138 428 L CA -0.395 54.366 54.840 -0.131 0.000 0.832 428 L CB 0.587 42.523 42.059 -0.205 0.000 1.124 428 L HN 0.549 nan 8.230 nan 0.000 0.454 429 L N 3.935 125.110 121.223 -0.080 0.000 2.456 429 L HA 0.142 4.482 4.340 0.000 0.000 0.272 429 L C -0.138 176.697 176.870 -0.057 0.000 1.189 429 L CA 0.166 54.966 54.840 -0.066 0.000 0.846 429 L CB 0.354 42.376 42.059 -0.062 0.000 1.111 429 L HN 0.625 nan 8.230 nan 0.000 0.475 430 D N 1.769 122.131 120.400 -0.063 0.000 2.446 430 D HA 0.333 4.973 4.640 0.000 0.000 0.251 430 D C 0.606 176.862 176.300 -0.074 0.000 1.137 430 D CA -0.289 53.677 54.000 -0.056 0.000 0.890 430 D CB 1.784 42.554 40.800 -0.050 0.000 1.071 430 D HN 0.546 nan 8.370 nan 0.000 0.528 431 A N 3.122 125.892 122.820 -0.085 0.000 1.892 431 A HA -0.110 4.210 4.320 0.000 0.000 0.218 431 A C 2.038 179.565 177.584 -0.096 0.000 1.188 431 A CA 2.152 54.125 52.037 -0.106 0.000 0.631 431 A CB -0.967 17.944 19.000 -0.150 0.000 0.822 431 A HN 0.589 nan 8.150 nan 0.000 0.447 432 G N -0.732 108.018 108.800 -0.083 0.000 2.459 432 G HA2 -0.049 3.911 3.960 0.000 0.000 0.217 432 G HA3 -0.049 3.911 3.960 0.000 0.000 0.217 432 G C 1.790 176.664 174.900 -0.043 0.000 1.183 432 G CA 1.774 46.843 45.100 -0.051 0.000 0.776 432 G HN 0.923 nan 8.290 nan 0.000 0.552 433 A N 0.209 123.001 122.820 -0.048 0.000 1.933 433 A HA 0.049 4.369 4.320 0.000 0.000 0.218 433 A C 2.466 180.009 177.584 -0.068 0.000 1.175 433 A CA 1.895 53.904 52.037 -0.045 0.000 0.628 433 A CB -0.342 18.631 19.000 -0.046 0.000 0.814 433 A HN 0.304 nan 8.150 nan 0.000 0.444 434 M N -0.612 118.931 119.600 -0.095 0.000 2.065 434 M HA -0.136 4.344 4.480 0.000 0.000 0.259 434 M C 2.274 178.485 176.300 -0.150 0.000 1.071 434 M CA 1.485 56.706 55.300 -0.131 0.000 1.109 434 M CB -1.248 31.268 32.600 -0.139 0.000 1.313 434 M HN 0.251 nan 8.290 nan 0.000 0.408 435 V N 0.462 120.280 119.914 -0.161 0.000 2.332 435 V HA -0.272 3.848 4.120 0.000 0.000 0.248 435 V C 2.657 178.653 176.094 -0.163 0.000 1.055 435 V CA 1.914 64.065 62.300 -0.247 0.000 1.038 435 V CB -1.123 30.559 31.823 -0.235 0.000 0.651 435 V HN 0.531 nan 8.190 nan 0.000 0.450 436 A N -0.447 122.334 122.820 -0.065 0.000 1.877 436 A HA -0.198 4.123 4.320 0.000 0.000 0.216 436 A C 2.125 179.711 177.584 0.003 0.000 1.186 436 A CA 2.105 54.137 52.037 -0.008 0.000 0.620 436 A CB -0.602 18.403 19.000 0.009 0.000 0.822 436 A HN 0.456 nan 8.150 nan 0.000 0.443 437 L N -0.409 120.814 121.223 -0.000 0.000 2.201 437 L HA 0.054 4.394 4.340 0.000 0.000 0.212 437 L C 2.577 179.510 176.870 0.105 0.000 1.105 437 L CA 1.813 56.694 54.840 0.069 0.000 0.775 437 L CB -0.755 41.338 42.059 0.056 0.000 0.913 437 L HN 0.344 nan 8.230 nan 0.000 0.440 438 A N -0.930 121.880 122.820 -0.017 0.000 1.902 438 A HA -0.242 4.078 4.320 0.000 0.000 0.217 438 A C 2.122 179.730 177.584 0.039 0.000 1.181 438 A CA 1.705 53.724 52.037 -0.030 0.000 0.623 438 A CB -0.516 18.384 19.000 -0.165 0.000 0.818 438 A HN 0.649 nan 8.150 nan 0.000 0.443 439 Q N -0.284 119.514 119.800 -0.004 0.000 2.181 439 Q HA -0.154 4.186 4.340 0.000 0.000 0.205 439 Q C 0.699 176.738 176.000 0.065 0.000 0.980 439 Q CA 1.507 57.326 55.803 0.026 0.000 0.862 439 Q CB -0.319 28.441 28.738 0.036 0.000 0.905 439 Q HN 0.798 nan 8.270 nan 0.000 0.429 440 N N -0.643 118.108 118.700 0.087 0.000 2.273 440 N HA 0.027 4.768 4.740 0.000 0.000 0.231 440 N C -0.725 174.826 175.510 0.068 0.000 1.134 440 N CA -0.443 52.644 53.050 0.061 0.000 0.856 440 N CB 0.369 38.878 38.487 0.037 0.000 1.068 440 N HN 0.219 nan 8.380 nan 0.000 0.510 441 W N 2.450 123.725 121.300 -0.043 0.000 2.287 441 W HA 0.149 4.809 4.660 0.000 0.000 0.313 441 W C -0.621 175.871 176.519 -0.046 0.000 1.267 441 W CA 0.300 57.616 57.345 -0.048 0.000 1.201 441 W CB 0.902 30.329 29.460 -0.054 0.000 1.196 441 W HN -0.114 nan 8.180 nan 0.000 0.536 442 T N 4.628 118.718 114.554 -0.773 0.000 2.744 442 T HA 0.018 4.368 4.350 0.000 0.000 0.291 442 T C 0.374 174.795 174.700 -0.465 0.000 0.957 442 T CA -0.070 61.746 62.100 -0.473 0.000 1.002 442 T CB 1.131 69.741 68.868 -0.430 0.000 0.919 442 T HN 0.367 nan 8.240 nan 0.000 0.468 443 T N 3.709 118.237 114.554 -0.043 0.000 2.933 443 T HA 0.129 4.479 4.350 0.000 0.000 0.306 443 T C 0.857 175.572 174.700 0.024 0.000 1.045 443 T CA -0.468 61.711 62.100 0.132 0.000 1.143 443 T CB -0.152 68.781 68.868 0.109 0.000 1.003 443 T HN 0.515 nan 8.240 nan 0.000 0.540 444 V N 3.682 123.660 119.914 0.107 0.000 3.139 444 V HA 0.613 4.734 4.120 0.000 0.000 0.307 444 V C 0.925 177.009 176.094 -0.018 0.000 1.095 444 V CA -0.759 61.531 62.300 -0.017 0.000 1.160 444 V CB -0.490 31.301 31.823 -0.053 0.000 1.003 444 V HN 1.117 nan 8.190 nan 0.000 0.489 445 A N 4.616 127.411 122.820 -0.041 0.000 2.429 445 A HA 0.499 4.819 4.320 0.000 0.000 0.242 445 A C -1.526 176.063 177.584 0.008 0.000 1.088 445 A CA -0.818 51.207 52.037 -0.019 0.000 0.784 445 A CB -0.923 18.059 19.000 -0.030 0.000 1.038 445 A HN 0.998 nan 8.150 nan 0.000 0.501 446 P HA -0.015 nan 4.420 nan 0.000 0.266 446 P C -0.661 176.672 177.300 0.056 0.000 1.195 446 P CA 0.029 63.160 63.100 0.051 0.000 0.768 446 P CB 0.349 32.081 31.700 0.054 0.000 0.838 447 Q N 3.199 123.054 119.800 0.091 0.000 2.286 447 Q HA 0.062 4.402 4.340 0.000 0.000 0.267 447 Q C -0.291 175.781 176.000 0.119 0.000 1.028 447 Q CA -0.236 55.635 55.803 0.113 0.000 0.901 447 Q CB 0.435 29.283 28.738 0.184 0.000 1.183 447 Q HN 0.300 nan 8.270 nan 0.000 0.392 448 R N 3.509 124.053 120.500 0.074 0.000 2.598 448 R HA 0.431 4.771 4.340 0.000 0.000 0.279 448 R C -0.662 175.635 176.300 -0.005 0.000 0.984 448 R CA -0.562 55.557 56.100 0.032 0.000 0.999 448 R CB 1.099 31.392 30.300 -0.011 0.000 1.114 448 R HN 0.548 nan 8.270 nan 0.000 0.493 449 K N 1.003 121.352 120.400 -0.085 0.000 2.613 449 K HA 0.234 4.554 4.320 0.000 0.000 0.248 449 K C -1.513 174.939 176.600 -0.246 0.000 0.959 449 K CA -0.408 55.703 56.287 -0.293 0.000 0.855 449 K CB 1.344 33.678 32.500 -0.277 0.000 1.143 449 K HN 0.624 nan 8.250 nan 0.000 0.437 450 c N 7.175 125.607 118.600 -0.280 0.000 2.264 450 c HA 0.560 5.130 4.570 0.000 0.000 0.324 450 c C -0.211 173.732 174.090 -0.245 0.000 1.267 450 c CA -0.731 55.478 56.329 -0.201 0.000 1.618 450 c CB -0.777 41.645 42.510 -0.146 0.000 2.278 450 c HN 0.801 nan 8.230 nan 0.000 0.499 451 I N 6.545 126.995 120.570 -0.199 0.000 2.321 451 I HA 0.458 4.629 4.170 0.000 0.000 0.291 451 I C -0.132 175.877 176.117 -0.180 0.000 0.998 451 I CA -0.159 61.022 61.300 -0.199 0.000 1.227 451 I CB 1.467 39.374 38.000 -0.154 0.000 1.368 451 I HN 0.446 nan 8.210 nan 0.000 0.466 452 V N 6.484 126.263 119.914 -0.224 0.000 2.525 452 V HA 0.367 4.488 4.120 0.000 0.000 0.299 452 V C -0.417 175.518 176.094 -0.265 0.000 1.034 452 V CA -0.367 61.800 62.300 -0.221 0.000 0.863 452 V CB 1.851 33.533 31.823 -0.235 0.000 0.999 452 V HN 0.758 nan 8.190 nan 0.000 0.423 453 E N 6.736 126.817 120.200 -0.197 0.000 2.166 453 E HA 0.233 4.583 4.350 0.000 0.000 0.279 453 E C 0.495 176.964 176.600 -0.219 0.000 1.095 453 E CA -0.407 55.880 56.400 -0.188 0.000 0.888 453 E CB 1.295 30.931 29.700 -0.106 0.000 1.041 453 E HN 0.634 nan 8.360 nan 0.000 0.414 454 I N 2.676 123.043 120.570 -0.339 0.000 2.339 454 I HA -0.056 4.114 4.170 0.000 0.000 0.245 454 I C 1.102 177.167 176.117 -0.086 0.000 1.096 454 I CA 0.829 61.942 61.300 -0.311 0.000 1.408 454 I CB -0.494 37.077 38.000 -0.716 0.000 1.092 454 I HN 0.481 nan 8.210 nan 0.000 0.423 455 L N 1.069 122.286 121.223 -0.011 0.000 2.436 455 L HA 0.131 4.471 4.340 0.000 0.000 0.265 455 L C 1.205 178.090 176.870 0.024 0.000 1.168 455 L CA -0.169 54.703 54.840 0.052 0.000 0.815 455 L CB 1.182 43.302 42.059 0.102 0.000 1.109 455 L HN 0.018 nan 8.230 nan 0.000 0.462 456 V N -1.731 118.202 119.914 0.033 0.000 3.556 456 V HA 0.318 4.438 4.120 0.000 0.000 0.287 456 V C 0.043 176.154 176.094 0.029 0.000 1.422 456 V CA 0.151 62.465 62.300 0.023 0.000 1.038 456 V CB -0.309 31.526 31.823 0.019 0.000 0.850 456 V HN 0.985 nan 8.190 nan 0.000 0.437 457 E N -0.710 119.514 120.200 0.041 0.000 2.392 457 E HA 0.460 4.810 4.350 0.000 0.000 0.281 457 E C -3.401 173.232 176.600 0.055 0.000 1.088 457 E CA -1.839 54.586 56.400 0.042 0.000 0.850 457 E CB 0.663 30.385 29.700 0.036 0.000 1.267 457 E HN 0.047 nan 8.360 nan 0.000 0.438 458 P HA 0.138 nan 4.420 nan 0.000 0.268 458 P C -1.130 176.208 177.300 0.063 0.000 1.204 458 P CA -0.303 62.836 63.100 0.064 0.000 0.768 458 P CB 0.445 32.181 31.700 0.061 0.000 0.842 459 K N 2.202 122.644 120.400 0.070 0.000 2.221 459 K HA 0.304 4.624 4.320 0.000 0.000 0.258 459 K C -0.607 176.036 176.600 0.072 0.000 0.944 459 K CA -0.794 55.532 56.287 0.065 0.000 0.823 459 K CB 1.421 33.958 32.500 0.063 0.000 1.113 459 K HN 0.412 nan 8.250 nan 0.000 0.431 460 D N 2.425 122.867 120.400 0.070 0.000 2.348 460 D HA 0.111 4.751 4.640 0.000 0.000 0.253 460 D C 0.936 177.292 176.300 0.093 0.000 1.161 460 D CA -0.083 53.969 54.000 0.087 0.000 0.876 460 D CB 0.595 41.441 40.800 0.077 0.000 1.160 460 D HN 0.414 nan 8.370 nan 0.000 0.459 461 I N 3.168 123.815 120.570 0.130 0.000 2.235 461 I HA 0.090 4.260 4.170 0.000 0.000 0.241 461 I C 2.006 178.210 176.117 0.145 0.000 1.085 461 I CA 0.789 62.162 61.300 0.121 0.000 1.378 461 I CB -0.853 37.237 38.000 0.151 0.000 1.076 461 I HN 0.760 nan 8.210 nan 0.000 0.415 462 G N 1.291 110.218 108.800 0.212 0.000 2.622 462 G HA2 -0.379 3.581 3.960 0.000 0.000 0.307 462 G HA3 -0.379 3.581 3.960 0.000 0.000 0.307 462 G C 1.068 176.078 174.900 0.183 0.000 1.226 462 G CA 0.683 45.890 45.100 0.178 0.000 0.997 462 G HN 0.189 nan 8.290 nan 0.000 0.551 463 K N 1.026 121.494 120.400 0.114 0.000 2.186 463 K HA 0.144 4.465 4.320 0.000 0.000 0.202 463 K C 1.352 177.986 176.600 0.056 0.000 1.052 463 K CA 1.105 57.446 56.287 0.090 0.000 0.965 463 K CB 0.066 32.602 32.500 0.060 0.000 0.746 463 K HN 0.601 nan 8.250 nan 0.000 0.457 464 R N 0.008 120.533 120.500 0.041 0.000 2.594 464 R HA 0.251 4.591 4.340 0.000 0.000 0.265 464 R C -2.045 174.261 176.300 0.011 0.000 1.070 464 R CA -0.495 55.612 56.100 0.012 0.000 0.909 464 R CB 1.039 31.342 30.300 0.005 0.000 1.243 464 R HN 0.005 nan 8.270 nan 0.000 0.455 465 L N 2.876 124.094 121.223 -0.008 0.000 2.455 465 L HA 0.576 4.916 4.340 0.000 0.000 0.264 465 L C -1.582 175.278 176.870 -0.016 0.000 0.968 465 L CA -0.324 54.514 54.840 -0.004 0.000 0.827 465 L CB 2.156 44.212 42.059 -0.004 0.000 1.317 465 L HN 0.921 nan 8.230 nan 0.000 0.407 466 E N 3.728 123.928 120.200 0.001 0.000 2.246 466 E HA 0.559 4.909 4.350 0.000 0.000 0.266 466 E C -1.946 174.673 176.600 0.031 0.000 0.880 466 E CA -0.585 55.818 56.400 0.006 0.000 0.762 466 E CB 2.553 32.258 29.700 0.008 0.000 1.180 466 E HN 0.482 nan 8.360 nan 0.000 0.416 467 V N 5.206 125.149 119.914 0.049 0.000 2.409 467 V HA 0.486 4.606 4.120 0.000 0.000 0.291 467 V C -0.278 175.906 176.094 0.150 0.000 1.020 467 V CA -0.666 61.699 62.300 0.107 0.000 0.848 467 V CB 1.529 33.446 31.823 0.156 0.000 0.990 467 V HN 0.630 nan 8.190 nan 0.000 0.430 468 R N 3.441 124.018 120.500 0.129 0.000 2.562 468 R HA 0.805 5.145 4.340 0.000 0.000 0.298 468 R C -0.892 175.488 176.300 0.134 0.000 0.961 468 R CA -0.954 55.226 56.100 0.134 0.000 0.881 468 R CB 2.361 32.712 30.300 0.086 0.000 1.159 468 R HN 0.590 nan 8.270 nan 0.000 0.450 469 K N 1.034 121.529 120.400 0.159 0.000 2.525 469 K HA 0.478 4.798 4.320 0.000 0.000 0.254 469 K C -1.616 175.067 176.600 0.139 0.000 0.934 469 K CA -0.432 55.925 56.287 0.118 0.000 0.802 469 K CB 2.164 34.709 32.500 0.075 0.000 1.295 469 K HN 0.696 nan 8.250 nan 0.000 0.433 470 A N 3.060 125.937 122.820 0.094 0.000 2.362 470 A HA 0.542 4.862 4.320 0.000 0.000 0.276 470 A C -0.792 176.853 177.584 0.101 0.000 1.153 470 A CA -0.436 51.661 52.037 0.099 0.000 0.813 470 A CB 0.427 19.463 19.000 0.060 0.000 1.081 470 A HN 0.401 nan 8.150 nan 0.000 0.507 471 V N 2.908 122.920 119.914 0.163 0.000 2.495 471 V HA 0.367 4.487 4.120 0.000 0.000 0.298 471 V C 1.225 177.394 176.094 0.125 0.000 1.031 471 V CA 0.278 62.657 62.300 0.132 0.000 0.871 471 V CB 1.679 33.616 31.823 0.190 0.000 0.988 471 V HN 1.077 nan 8.190 nan 0.000 0.432 472 T N 0.661 115.261 114.554 0.075 0.000 3.086 472 T HA 0.297 4.647 4.350 0.000 0.000 0.250 472 T C 1.008 175.782 174.700 0.124 0.000 1.074 472 T CA 0.476 62.627 62.100 0.085 0.000 0.988 472 T CB 0.167 69.061 68.868 0.043 0.000 0.988 472 T HN 1.832 nan 8.240 nan 0.000 0.530 473 A N 0.074 122.948 122.820 0.090 0.000 2.739 473 A HA -0.142 4.179 4.320 0.000 0.000 0.296 473 A C 1.178 178.842 177.584 0.132 0.000 1.488 473 A CA 0.159 52.241 52.037 0.075 0.000 0.746 473 A CB -2.887 16.163 19.000 0.084 0.000 1.047 473 A HN 1.423 nan 8.150 nan 0.000 0.477 474 c N -2.878 115.767 118.600 0.075 0.000 4.365 474 c HA -0.161 4.409 4.570 0.000 0.000 0.299 474 c C 0.850 175.007 174.090 0.111 0.000 1.409 474 c CA 0.539 56.910 56.329 0.070 0.000 2.007 474 c CB -2.758 39.779 42.510 0.045 0.000 1.264 474 c HN 1.993 nan 8.230 nan 0.000 0.777 475 L N 0.952 122.208 121.223 0.055 0.000 2.499 475 L HA 0.490 4.830 4.340 0.000 0.000 0.273 475 L C 1.337 178.082 176.870 -0.207 0.000 1.195 475 L CA 2.322 57.007 54.840 -0.258 0.000 0.882 475 L CB 0.408 42.354 42.059 -0.189 0.000 1.133 475 L HN 1.085 nan 8.230 nan 0.000 0.483 476 G N 2.543 111.172 108.800 -0.284 0.000 2.179 476 G HA2 -0.227 3.733 3.960 0.000 0.000 0.260 476 G HA3 -0.227 3.733 3.960 0.000 0.000 0.260 476 G C 0.162 175.021 174.900 -0.069 0.000 0.977 476 G CA 0.427 45.442 45.100 -0.142 0.000 0.641 476 G HN 0.666 nan 8.290 nan 0.000 0.533 477 E N -0.420 119.758 120.200 -0.037 0.000 2.320 477 E HA 0.453 4.803 4.350 0.000 0.000 0.264 477 E C -1.897 174.723 176.600 0.034 0.000 0.923 477 E CA -2.120 54.280 56.400 -0.000 0.000 0.796 477 E CB 1.750 31.451 29.700 0.002 0.000 1.262 477 E HN -0.031 nan 8.360 nan 0.000 0.428 478 P HA -0.095 nan 4.420 nan 0.000 0.221 478 P C 0.405 177.732 177.300 0.045 0.000 1.145 478 P CA 1.003 64.124 63.100 0.035 0.000 0.795 478 P CB 0.227 31.941 31.700 0.022 0.000 0.775 479 N N -1.538 117.185 118.700 0.038 0.000 2.276 479 N HA -0.027 4.713 4.740 0.000 0.000 0.212 479 N C 0.219 175.752 175.510 0.038 0.000 1.127 479 N CA -0.015 53.047 53.050 0.020 0.000 0.834 479 N CB -0.590 37.887 38.487 -0.017 0.000 1.014 479 N HN 0.280 nan 8.380 nan 0.000 0.491 480 H N 1.264 120.319 119.070 -0.025 0.000 3.094 480 H HA 0.103 4.659 4.556 0.000 0.000 0.320 480 H C -0.155 175.161 175.328 -0.019 0.000 1.000 480 H CA 0.762 56.797 56.048 -0.021 0.000 1.413 480 H CB 0.173 29.927 29.762 -0.013 0.000 1.405 480 H HN 0.047 nan 8.280 nan 0.000 0.586 481 I N 4.449 124.769 120.570 -0.416 0.000 2.474 481 I HA 0.153 4.323 4.170 0.000 0.000 0.294 481 I C 0.827 176.681 176.117 -0.438 0.000 1.005 481 I CA -0.212 60.880 61.300 -0.347 0.000 1.113 481 I CB 2.209 40.111 38.000 -0.164 0.000 1.289 481 I HN 0.838 nan 8.210 nan 0.000 0.436 482 T N 1.139 115.507 114.554 -0.309 0.000 2.975 482 T HA 0.325 4.675 4.350 0.000 0.000 0.261 482 T C 0.696 175.340 174.700 -0.094 0.000 0.984 482 T CA -0.171 61.813 62.100 -0.193 0.000 0.911 482 T CB 0.311 69.086 68.868 -0.154 0.000 1.127 482 T HN 0.468 nan 8.240 nan 0.000 0.514 483 R N 1.073 121.512 120.500 -0.101 0.000 2.468 483 R HA 0.555 4.895 4.340 0.000 0.000 0.302 483 R C -0.974 175.248 176.300 -0.131 0.000 1.041 483 R CA -0.542 55.510 56.100 -0.079 0.000 0.899 483 R CB 1.652 31.917 30.300 -0.059 0.000 1.167 483 R HN 0.256 nan 8.270 nan 0.000 0.483 484 L N 2.216 123.365 121.223 -0.124 0.000 2.464 484 L HA 0.156 4.497 4.340 0.000 0.000 0.264 484 L C 1.045 177.587 176.870 -0.547 0.000 1.199 484 L CA 0.570 55.294 54.840 -0.192 0.000 0.818 484 L CB 0.657 42.698 42.059 -0.030 0.000 1.102 484 L HN 0.674 nan 8.230 nan 0.000 0.473 485 E N -0.583 119.221 120.200 -0.660 0.000 4.156 485 E HA 0.225 4.575 4.350 0.000 0.000 0.223 485 E C -0.748 175.416 176.600 -0.726 0.000 1.107 485 E CA -0.793 54.697 56.400 -1.517 0.000 0.903 485 E CB 0.355 29.312 29.700 -1.239 0.000 2.687 485 E HN 0.520 nan 8.360 nan 0.000 0.517 486 H N 0.105 119.023 119.070 -0.254 0.000 2.615 486 H HA 0.372 4.928 4.556 0.000 0.000 0.363 486 H C -0.695 174.692 175.328 0.098 0.000 1.148 486 H CA -0.186 55.879 56.048 0.028 0.000 1.401 486 H CB 0.942 30.659 29.762 -0.075 0.000 1.461 486 H HN -0.084 nan 8.280 nan 0.000 0.588 487 V N 2.768 122.811 119.914 0.215 0.000 2.577 487 V HA 0.237 4.357 4.120 0.000 0.000 0.303 487 V C -0.602 175.541 176.094 0.082 0.000 1.042 487 V CA -0.791 61.580 62.300 0.119 0.000 0.872 487 V CB 1.643 33.536 31.823 0.117 0.000 0.998 487 V HN 0.754 nan 8.190 nan 0.000 0.423 488 Q N 2.769 122.585 119.800 0.027 0.000 2.316 488 Q HA 0.782 5.122 4.340 0.000 0.000 0.264 488 Q C -0.461 175.545 176.000 0.010 0.000 0.987 488 Q CA -0.646 55.157 55.803 -0.001 0.000 0.852 488 Q CB 2.628 31.342 28.738 -0.040 0.000 1.287 488 Q HN 0.866 nan 8.270 nan 0.000 0.448 489 A N 3.335 126.209 122.820 0.091 0.000 2.394 489 A HA 0.376 4.696 4.320 0.000 0.000 0.333 489 A C -0.506 177.215 177.584 0.228 0.000 1.397 489 A CA -0.637 51.533 52.037 0.223 0.000 0.884 489 A CB 0.291 19.386 19.000 0.157 0.000 1.147 489 A HN 0.669 nan 8.150 nan 0.000 0.505 490 R N 2.582 123.200 120.500 0.197 0.000 2.220 490 R HA 0.419 4.759 4.340 0.000 0.000 0.340 490 R C -0.969 175.469 176.300 0.230 0.000 1.076 490 R CA 0.066 56.246 56.100 0.133 0.000 0.920 490 R CB 0.406 30.730 30.300 0.040 0.000 1.062 490 R HN 0.642 nan 8.270 nan 0.000 0.469 491 L N 1.981 123.351 121.223 0.245 0.000 2.334 491 L HA 0.513 4.853 4.340 0.000 0.000 0.276 491 L C 0.076 177.098 176.870 0.252 0.000 1.014 491 L CA -0.730 54.250 54.840 0.233 0.000 0.815 491 L CB 2.221 44.392 42.059 0.187 0.000 1.268 491 L HN 0.434 nan 8.230 nan 0.000 0.428 492 T N 4.106 118.789 114.554 0.215 0.000 2.906 492 T HA 0.671 5.021 4.350 0.000 0.000 0.302 492 T C -0.781 174.035 174.700 0.193 0.000 1.002 492 T CA -0.440 61.787 62.100 0.211 0.000 0.988 492 T CB 1.184 70.144 68.868 0.154 0.000 0.972 492 T HN 0.409 nan 8.240 nan 0.000 0.447 493 L N 0.694 122.055 121.223 0.230 0.000 2.479 493 L HA 1.002 5.342 4.340 0.000 0.000 0.255 493 L C -0.477 176.497 176.870 0.173 0.000 1.026 493 L CA -1.004 53.951 54.840 0.192 0.000 0.842 493 L CB 1.791 43.965 42.059 0.192 0.000 1.444 493 L HN 0.468 nan 8.230 nan 0.000 0.409 494 S N 0.074 115.867 115.700 0.156 0.000 2.482 494 S HA 0.871 5.341 4.470 0.000 0.000 0.303 494 S C -1.141 173.576 174.600 0.195 0.000 1.091 494 S CA -0.539 57.736 58.200 0.125 0.000 1.057 494 S CB 1.403 64.660 63.200 0.096 0.000 1.031 494 S HN 0.851 nan 8.310 nan 0.000 0.485 495 Y N 1.750 122.005 120.300 -0.076 0.000 2.581 495 Y HA 0.363 4.913 4.550 0.000 0.000 0.337 495 Y C 0.678 176.440 175.900 -0.230 0.000 1.108 495 Y CA -1.087 56.924 58.100 -0.148 0.000 1.033 495 Y CB 1.612 40.012 38.460 -0.100 0.000 1.318 495 Y HN 0.790 nan 8.280 nan 0.000 0.459 496 N N 1.656 119.911 118.700 -0.741 0.000 2.333 496 N HA 0.011 4.751 4.740 0.000 0.000 0.178 496 N C -0.144 175.207 175.510 -0.265 0.000 1.018 496 N CA 0.902 53.615 53.050 -0.562 0.000 0.882 496 N CB 0.354 38.267 38.487 -0.957 0.000 0.984 496 N HN 0.508 nan 8.380 nan 0.000 0.434 497 R N 0.818 121.212 120.500 -0.177 0.000 2.487 497 R HA 0.239 4.579 4.340 0.000 0.000 0.288 497 R C 0.568 176.959 176.300 0.152 0.000 1.394 497 R CA -0.330 55.778 56.100 0.014 0.000 1.155 497 R CB 1.334 31.647 30.300 0.022 0.000 1.156 497 R HN 0.130 nan 8.270 nan 0.000 0.553 498 R N 1.272 121.806 120.500 0.056 0.000 2.096 498 R HA -0.139 4.201 4.340 0.000 0.000 0.240 498 R C 1.761 178.050 176.300 -0.019 0.000 1.139 498 R CA 2.281 58.379 56.100 -0.002 0.000 0.952 498 R CB -0.254 29.934 30.300 -0.186 0.000 0.854 498 R HN 0.670 nan 8.270 nan 0.000 0.436 499 G N -0.216 108.538 108.800 -0.076 0.000 2.527 499 G HA2 -0.219 3.741 3.960 0.000 0.000 0.219 499 G HA3 -0.219 3.741 3.960 0.000 0.000 0.219 499 G C 0.629 175.482 174.900 -0.079 0.000 1.117 499 G CA 0.886 45.921 45.100 -0.108 0.000 0.759 499 G HN 0.357 nan 8.290 nan 0.000 0.556 500 D N -0.179 120.210 120.400 -0.019 0.000 2.347 500 D HA 0.105 4.745 4.640 0.000 0.000 0.213 500 D C 1.213 177.488 176.300 -0.042 0.000 0.985 500 D CA -0.003 53.997 54.000 0.000 0.000 0.879 500 D CB 0.221 41.078 40.800 0.095 0.000 0.919 500 D HN 0.243 nan 8.370 nan 0.000 0.526 501 L N 0.547 121.710 121.223 -0.100 0.000 2.395 501 L HA 0.464 4.804 4.340 0.000 0.000 0.269 501 L C 0.230 177.007 176.870 -0.155 0.000 1.133 501 L CA -0.593 54.128 54.840 -0.199 0.000 0.812 501 L CB 1.134 43.022 42.059 -0.285 0.000 1.125 501 L HN -0.149 nan 8.230 nan 0.000 0.452 502 A N 4.747 127.461 122.820 -0.177 0.000 2.359 502 A HA 0.778 5.098 4.320 0.000 0.000 0.303 502 A C -0.858 176.569 177.584 -0.262 0.000 1.066 502 A CA -0.416 51.503 52.037 -0.196 0.000 0.730 502 A CB 0.908 19.862 19.000 -0.077 0.000 1.211 502 A HN 0.604 nan 8.150 nan 0.000 0.439 503 I N 2.260 122.558 120.570 -0.453 0.000 2.465 503 I HA 0.466 4.636 4.170 0.000 0.000 0.291 503 I C -0.747 174.999 176.117 -0.620 0.000 1.014 503 I CA -0.545 60.467 61.300 -0.480 0.000 1.093 503 I CB 2.063 39.675 38.000 -0.647 0.000 1.267 503 I HN 0.759 nan 8.210 nan 0.000 0.431 504 H N 4.869 123.798 119.070 -0.235 0.000 2.690 504 H HA 0.680 5.237 4.556 0.000 0.000 0.368 504 H C -1.308 173.950 175.328 -0.117 0.000 1.150 504 H CA -0.724 55.229 56.048 -0.159 0.000 1.174 504 H CB 2.481 32.174 29.762 -0.114 0.000 1.684 504 H HN 0.354 nan 8.280 nan 0.000 0.538 505 L N 2.955 124.226 121.223 0.079 0.000 2.381 505 L HA 0.556 4.896 4.340 0.000 0.000 0.274 505 L C -1.550 175.427 176.870 0.178 0.000 0.988 505 L CA -0.332 54.593 54.840 0.142 0.000 0.824 505 L CB 1.008 43.175 42.059 0.180 0.000 1.263 505 L HN 0.624 nan 8.230 nan 0.000 0.410 506 I N 3.991 124.658 120.570 0.162 0.000 2.389 506 I HA 0.416 4.586 4.170 0.000 0.000 0.288 506 I C 0.218 176.237 176.117 -0.163 0.000 0.999 506 I CA -0.562 60.755 61.300 0.028 0.000 1.129 506 I CB 2.007 40.002 38.000 -0.008 0.000 1.288 506 I HN 0.756 nan 8.210 nan 0.000 0.444 507 S N 5.434 120.890 115.700 -0.406 0.000 2.603 507 S HA 0.338 4.808 4.470 0.000 0.000 0.268 507 S C -1.940 172.192 174.600 -0.780 0.000 1.317 507 S CA -1.051 56.472 58.200 -1.128 0.000 1.012 507 S CB 1.118 63.850 63.200 -0.780 0.000 0.926 507 S HN 0.373 nan 8.310 nan 0.000 0.539 508 P HA -0.097 nan 4.420 nan 0.000 0.217 508 P C 0.966 178.106 177.300 -0.266 0.000 1.148 508 P CA 1.546 64.369 63.100 -0.462 0.000 0.828 508 P CB -0.069 31.407 31.700 -0.374 0.000 0.783 509 M N -2.127 117.324 119.600 -0.248 0.000 2.639 509 M HA 0.219 4.699 4.480 0.000 0.000 0.220 509 M C 0.940 177.176 176.300 -0.106 0.000 1.155 509 M CA 0.619 55.840 55.300 -0.132 0.000 1.003 509 M CB -0.546 32.003 32.600 -0.085 0.000 1.725 509 M HN 0.041 nan 8.290 nan 0.000 0.489 510 G N 0.562 109.278 108.800 -0.139 0.000 2.148 510 G HA2 -0.213 3.747 3.960 0.000 0.000 0.254 510 G HA3 -0.213 3.747 3.960 0.000 0.000 0.254 510 G C 0.076 174.944 174.900 -0.052 0.000 0.981 510 G CA 0.191 45.238 45.100 -0.088 0.000 0.670 510 G HN 0.420 nan 8.290 nan 0.000 0.528 511 T N 0.645 115.165 114.554 -0.057 0.000 2.729 511 T HA 0.449 4.799 4.350 0.000 0.000 0.296 511 T C 0.549 175.272 174.700 0.038 0.000 0.928 511 T CA -0.171 61.938 62.100 0.016 0.000 1.045 511 T CB 1.146 70.045 68.868 0.052 0.000 0.902 511 T HN 0.460 nan 8.240 nan 0.000 0.500 512 R N 2.897 123.442 120.500 0.075 0.000 2.198 512 R HA 0.364 4.704 4.340 0.000 0.000 0.339 512 R C -0.578 175.834 176.300 0.186 0.000 1.020 512 R CA -0.235 55.925 56.100 0.100 0.000 0.864 512 R CB 0.330 30.662 30.300 0.055 0.000 1.105 512 R HN 0.505 nan 8.270 nan 0.000 0.463 513 S N 2.334 118.135 115.700 0.168 0.000 2.462 513 S HA 0.201 4.671 4.470 0.000 0.000 0.294 513 S C -0.492 174.186 174.600 0.130 0.000 1.144 513 S CA -0.530 57.764 58.200 0.157 0.000 1.088 513 S CB 1.889 65.102 63.200 0.022 0.000 1.009 513 S HN 0.513 nan 8.310 nan 0.000 0.484 514 T N 4.682 119.319 114.554 0.139 0.000 2.782 514 T HA 0.206 4.556 4.350 0.000 0.000 0.298 514 T C 1.504 176.048 174.700 -0.259 0.000 0.944 514 T CA -0.230 61.678 62.100 -0.319 0.000 1.001 514 T CB -0.157 68.345 68.868 -0.610 0.000 0.932 514 T HN 0.443 nan 8.240 nan 0.000 0.524 515 L N 2.735 123.760 121.223 -0.330 0.000 2.141 515 L HA 0.174 4.514 4.340 0.000 0.000 0.209 515 L C 0.500 177.201 176.870 -0.282 0.000 1.094 515 L CA 0.829 55.502 54.840 -0.278 0.000 0.763 515 L CB -0.082 41.686 42.059 -0.485 0.000 0.908 515 L HN 0.393 nan 8.230 nan 0.000 0.437 516 L N -0.503 120.464 121.223 -0.427 0.000 2.562 516 L HA 0.645 4.985 4.340 0.000 0.000 0.266 516 L C -0.671 176.019 176.870 -0.300 0.000 0.949 516 L CA -0.297 54.374 54.840 -0.283 0.000 0.879 516 L CB 1.411 43.271 42.059 -0.331 0.000 1.278 516 L HN -0.108 nan 8.230 nan 0.000 0.404 517 A N 3.586 126.294 122.820 -0.186 0.000 2.281 517 A HA 0.933 5.253 4.320 0.000 0.000 0.329 517 A C 0.075 177.599 177.584 -0.099 0.000 1.122 517 A CA -0.179 51.761 52.037 -0.162 0.000 0.850 517 A CB 0.932 19.856 19.000 -0.127 0.000 1.207 517 A HN 1.322 nan 8.150 nan 0.000 0.495 518 A N 0.494 123.257 122.820 -0.096 0.000 2.531 518 A HA 0.438 4.758 4.320 0.000 0.000 0.236 518 A C 0.344 177.880 177.584 -0.080 0.000 1.062 518 A CA 0.286 52.266 52.037 -0.094 0.000 0.760 518 A CB -0.168 18.765 19.000 -0.112 0.000 0.995 518 A HN 0.681 nan 8.150 nan 0.000 0.501 519 R N 3.427 123.878 120.500 -0.082 0.000 2.363 519 R HA 0.253 4.594 4.340 0.000 0.000 0.297 519 R C -2.050 174.142 176.300 -0.179 0.000 1.208 519 R CA -1.607 54.456 56.100 -0.062 0.000 1.121 519 R CB 1.429 31.716 30.300 -0.021 0.000 1.124 519 R HN 0.596 nan 8.270 nan 0.000 0.561 520 P HA -0.217 nan 4.420 nan 0.000 0.220 520 P C 0.286 177.218 177.300 -0.614 0.000 1.144 520 P CA 1.397 64.254 63.100 -0.405 0.000 0.800 520 P CB 0.285 31.721 31.700 -0.439 0.000 0.772 521 H N -1.502 117.401 119.070 -0.278 0.000 2.539 521 H HA 0.128 4.684 4.556 0.000 0.000 0.269 521 H C 0.150 175.116 175.328 -0.603 0.000 0.980 521 H CA 0.051 55.880 56.048 -0.364 0.000 1.152 521 H CB 0.010 29.733 29.762 -0.066 0.000 1.407 521 H HN 0.172 nan 8.280 nan 0.000 0.564 522 D N 0.271 120.391 120.400 -0.467 0.000 2.411 522 D HA 0.009 4.649 4.640 0.000 0.000 0.225 522 D C -0.038 175.989 176.300 -0.456 0.000 1.156 522 D CA -0.339 53.460 54.000 -0.335 0.000 0.874 522 D CB 0.006 40.702 40.800 -0.174 0.000 1.034 522 D HN 0.158 nan 8.370 nan 0.000 0.502 523 Y N 1.370 121.666 120.300 -0.008 0.000 2.467 523 Y HA 0.159 4.709 4.550 0.000 0.000 0.250 523 Y C 1.554 177.425 175.900 -0.048 0.000 1.155 523 Y CA -0.518 57.568 58.100 -0.024 0.000 1.249 523 Y CB 0.282 38.734 38.460 -0.012 0.000 1.146 523 Y HN 0.249 nan 8.280 nan 0.000 0.524 524 S N 1.060 116.775 115.700 0.025 0.000 2.554 524 S HA 0.168 4.638 4.470 0.000 0.000 0.290 524 S C 1.122 175.690 174.600 -0.054 0.000 1.309 524 S CA 0.489 58.669 58.200 -0.033 0.000 1.047 524 S CB 0.772 63.904 63.200 -0.114 0.000 0.828 524 S HN 0.445 nan 8.310 nan 0.000 0.509 525 A N 3.084 125.869 122.820 -0.058 0.000 2.538 525 A HA 0.298 4.618 4.320 0.000 0.000 0.269 525 A C 0.951 178.489 177.584 -0.077 0.000 1.231 525 A CA -0.231 51.764 52.037 -0.070 0.000 0.948 525 A CB 0.109 19.076 19.000 -0.054 0.000 1.110 525 A HN 0.776 nan 8.150 nan 0.000 0.529 526 D N 0.403 120.739 120.400 -0.107 0.000 2.347 526 D HA 0.248 4.888 4.640 0.000 0.000 0.213 526 D C 1.559 177.767 176.300 -0.154 0.000 0.985 526 D CA 1.322 55.255 54.000 -0.112 0.000 0.879 526 D CB 0.164 40.892 40.800 -0.120 0.000 0.919 526 D HN 0.553 nan 8.370 nan 0.000 0.526 527 G N 0.597 109.257 108.800 -0.234 0.000 2.564 527 G HA2 -0.277 3.683 3.960 0.000 0.000 0.273 527 G HA3 -0.277 3.683 3.960 0.000 0.000 0.273 527 G C -0.412 174.160 174.900 -0.546 0.000 1.242 527 G CA -0.250 44.677 45.100 -0.289 0.000 0.951 527 G HN 0.249 nan 8.290 nan 0.000 0.564 528 F N 0.881 120.855 119.950 0.040 0.000 2.565 528 F HA 0.550 5.077 4.527 0.000 0.000 0.313 528 F C 0.136 175.991 175.800 0.092 0.000 1.091 528 F CA -0.889 57.140 58.000 0.049 0.000 0.915 528 F CB 2.395 41.480 39.000 0.142 0.000 1.208 528 F HN 0.305 nan 8.300 nan 0.000 0.453 529 N N 2.569 121.443 118.700 0.290 0.000 2.569 529 N HA 0.136 4.876 4.740 0.000 0.000 0.254 529 N C -1.016 174.628 175.510 0.224 0.000 1.004 529 N CA -0.278 52.898 53.050 0.209 0.000 0.904 529 N CB 1.286 39.853 38.487 0.133 0.000 1.165 529 N HN 0.718 nan 8.380 nan 0.000 0.513 530 D N 0.885 121.404 120.400 0.198 0.000 2.689 530 D HA -0.199 4.441 4.640 0.000 0.000 0.237 530 D C -0.586 175.788 176.300 0.123 0.000 1.148 530 D CA 0.565 54.644 54.000 0.133 0.000 0.656 530 D CB -0.713 40.132 40.800 0.075 0.000 1.050 530 D HN 0.551 nan 8.370 nan 0.000 0.426 531 W N 0.358 121.624 121.300 -0.057 0.000 2.311 531 W HA 0.538 5.199 4.660 0.000 0.000 0.310 531 W C -0.097 176.205 176.519 -0.362 0.000 1.274 531 W CA -0.323 56.865 57.345 -0.262 0.000 1.215 531 W CB 0.676 29.885 29.460 -0.418 0.000 1.227 531 W HN 0.227 nan 8.180 nan 0.000 0.523 532 A N 7.623 129.876 122.820 -0.946 0.000 2.923 532 A HA 0.308 4.628 4.320 0.000 0.000 0.306 532 A C -0.852 176.336 177.584 -0.660 0.000 1.542 532 A CA -0.471 51.192 52.037 -0.624 0.000 1.225 532 A CB -0.860 17.837 19.000 -0.504 0.000 1.147 532 A HN 0.514 nan 8.150 nan 0.000 0.542 533 F N 1.929 121.700 119.950 -0.298 0.000 2.578 533 F HA 0.219 4.746 4.527 0.000 0.000 0.376 533 F C 0.805 176.512 175.800 -0.155 0.000 1.085 533 F CA 0.495 58.392 58.000 -0.172 0.000 1.260 533 F CB 0.623 39.557 39.000 -0.111 0.000 1.095 533 F HN 0.390 nan 8.300 nan 0.000 0.573 534 M N 3.412 123.020 119.600 0.014 0.000 2.383 534 M HA 0.361 4.841 4.480 0.000 0.000 0.325 534 M C -0.928 175.399 176.300 0.046 0.000 1.092 534 M CA -0.194 55.107 55.300 0.003 0.000 0.961 534 M CB 1.984 34.536 32.600 -0.081 0.000 1.672 534 M HN 0.637 nan 8.290 nan 0.000 0.438 535 T N 1.602 116.206 114.554 0.082 0.000 2.861 535 T HA 0.530 4.880 4.350 0.000 0.000 0.287 535 T C 0.655 175.469 174.700 0.190 0.000 1.003 535 T CA -0.218 61.924 62.100 0.070 0.000 0.977 535 T CB 0.942 69.834 68.868 0.041 0.000 0.996 535 T HN 0.831 nan 8.240 nan 0.000 0.448 536 T N 0.490 115.198 114.554 0.256 0.000 3.054 536 T HA 0.188 4.538 4.350 0.000 0.000 0.255 536 T C 1.263 176.267 174.700 0.507 0.000 1.035 536 T CA 0.117 62.455 62.100 0.397 0.000 0.941 536 T CB -0.419 68.645 68.868 0.327 0.000 1.026 536 T HN 0.813 nan 8.240 nan 0.000 0.533 537 H N 1.042 120.189 119.070 0.128 0.000 2.521 537 H HA 0.125 4.681 4.556 0.000 0.000 0.286 537 H C 1.253 176.696 175.328 0.193 0.000 1.034 537 H CA 0.685 56.768 56.048 0.057 0.000 1.278 537 H CB 0.296 30.008 29.762 -0.082 0.000 1.386 537 H HN 0.351 nan 8.280 nan 0.000 0.567 538 S N 0.249 116.168 115.700 0.364 0.000 2.582 538 S HA -0.027 4.443 4.470 0.000 0.000 0.234 538 S C 0.042 174.823 174.600 0.301 0.000 0.961 538 S CA -0.457 57.916 58.200 0.287 0.000 0.953 538 S CB 0.008 63.370 63.200 0.269 0.000 0.800 538 S HN 0.367 nan 8.310 nan 0.000 0.471 539 W N 3.138 124.528 121.300 0.150 0.000 2.343 539 W HA -0.061 4.599 4.660 0.000 0.000 0.337 539 W C -0.009 176.536 176.519 0.044 0.000 1.320 539 W CA 1.001 58.371 57.345 0.041 0.000 1.290 539 W CB 0.063 29.493 29.460 -0.049 0.000 1.206 539 W HN 0.384 nan 8.180 nan 0.000 0.565 540 D N 1.452 121.857 120.400 0.008 0.000 2.911 540 D HA -0.209 4.431 4.640 0.000 0.000 0.199 540 D C 0.031 176.368 176.300 0.061 0.000 1.041 540 D CA 1.444 55.485 54.000 0.068 0.000 1.013 540 D CB -0.921 40.008 40.800 0.215 0.000 1.093 540 D HN 0.597 nan 8.370 nan 0.000 0.431 541 E N 0.668 120.912 120.200 0.073 0.000 2.345 541 E HA 0.255 4.605 4.350 0.000 0.000 0.259 541 E C 0.091 176.712 176.600 0.035 0.000 1.117 541 E CA -0.507 55.927 56.400 0.056 0.000 0.913 541 E CB 0.733 30.469 29.700 0.061 0.000 1.057 541 E HN 0.018 nan 8.360 nan 0.000 0.432 542 D N 1.999 122.412 120.400 0.022 0.000 2.295 542 D HA 0.066 4.706 4.640 0.000 0.000 0.248 542 D C -1.612 174.722 176.300 0.057 0.000 1.154 542 D CA -2.323 51.690 54.000 0.022 0.000 0.857 542 D CB 1.112 41.920 40.800 0.012 0.000 1.117 542 D HN 0.106 nan 8.370 nan 0.000 0.468 543 P HA 0.057 nan 4.420 nan 0.000 0.237 543 P C 0.100 177.586 177.300 0.310 0.000 1.178 543 P CA -0.032 63.256 63.100 0.313 0.000 0.766 543 P CB 0.160 32.051 31.700 0.318 0.000 0.876 544 A N 0.294 123.209 122.820 0.158 0.000 2.488 544 A HA 0.517 4.837 4.320 0.000 0.000 0.249 544 A C 0.915 178.553 177.584 0.090 0.000 1.083 544 A CA 0.818 52.941 52.037 0.143 0.000 0.768 544 A CB -0.703 18.365 19.000 0.113 0.000 1.017 544 A HN 0.439 nan 8.150 nan 0.000 0.496 545 G N 0.954 109.820 108.800 0.109 0.000 2.293 545 G HA2 0.230 4.191 3.960 0.000 0.000 0.282 545 G HA3 0.230 4.191 3.960 0.000 0.000 0.282 545 G C -0.670 174.275 174.900 0.076 0.000 1.299 545 G CA -0.205 44.920 45.100 0.040 0.000 1.018 545 G HN 1.097 nan 8.290 nan 0.000 0.478 546 E N -0.309 119.892 120.200 0.000 0.000 2.167 546 E HA 0.507 4.857 4.350 0.000 0.000 0.284 546 E C -0.924 175.673 176.600 -0.005 0.000 1.016 546 E CA -0.766 55.664 56.400 0.051 0.000 0.817 546 E CB 0.614 30.331 29.700 0.030 0.000 1.080 546 E HN 0.429 nan 8.360 nan 0.000 0.397 547 W N 3.279 124.606 121.300 0.045 0.000 2.512 547 W HA 0.468 5.128 4.660 0.000 0.000 0.335 547 W C -0.872 175.704 176.519 0.094 0.000 1.088 547 W CA -0.473 56.915 57.345 0.072 0.000 1.236 547 W CB 1.664 31.177 29.460 0.088 0.000 1.307 547 W HN 0.209 nan 8.180 nan 0.000 0.567 548 V N 4.380 124.481 119.914 0.312 0.000 2.577 548 V HA 0.368 4.488 4.120 0.000 0.000 0.303 548 V C -1.073 175.130 176.094 0.182 0.000 1.042 548 V CA -1.053 61.370 62.300 0.204 0.000 0.872 548 V CB 1.426 33.304 31.823 0.091 0.000 0.998 548 V HN 0.328 nan 8.190 nan 0.000 0.423 549 L N 4.463 125.755 121.223 0.116 0.000 2.307 549 L HA 0.658 4.998 4.340 0.000 0.000 0.284 549 L C -0.195 176.631 176.870 -0.073 0.000 1.023 549 L CA 0.349 55.146 54.840 -0.072 0.000 0.810 549 L CB 1.479 43.299 42.059 -0.397 0.000 1.231 549 L HN 0.713 nan 8.230 nan 0.000 0.423 550 E N 6.109 126.262 120.200 -0.077 0.000 2.199 550 E HA 0.515 4.865 4.350 0.000 0.000 0.265 550 E C -1.226 175.320 176.600 -0.090 0.000 0.882 550 E CA -0.362 56.008 56.400 -0.050 0.000 0.759 550 E CB 2.176 31.877 29.700 0.002 0.000 1.148 550 E HN 0.517 nan 8.360 nan 0.000 0.412 551 I N 3.188 123.696 120.570 -0.104 0.000 2.466 551 I HA 0.261 4.431 4.170 0.000 0.000 0.289 551 I C -0.392 175.661 176.117 -0.107 0.000 1.026 551 I CA -0.569 60.642 61.300 -0.148 0.000 1.078 551 I CB 1.631 39.520 38.000 -0.185 0.000 1.249 551 I HN 0.538 nan 8.210 nan 0.000 0.429 552 E N 4.728 124.862 120.200 -0.110 0.000 2.340 552 E HA 0.350 4.700 4.350 0.000 0.000 0.273 552 E C -1.310 175.238 176.600 -0.086 0.000 0.891 552 E CA -1.016 55.342 56.400 -0.071 0.000 0.757 552 E CB 2.082 31.763 29.700 -0.032 0.000 1.231 552 E HN 0.408 nan 8.360 nan 0.000 0.439 553 N N 1.779 120.464 118.700 -0.025 0.000 2.415 553 N HA 0.028 4.768 4.740 0.000 0.000 0.246 553 N C 0.472 175.991 175.510 0.014 0.000 1.078 553 N CA 0.011 53.077 53.050 0.028 0.000 0.942 553 N CB 1.243 39.817 38.487 0.145 0.000 1.140 553 N HN 0.642 nan 8.380 nan 0.000 0.501 554 T N -0.230 114.319 114.554 -0.008 0.000 3.160 554 T HA 0.027 4.377 4.350 0.000 0.000 0.257 554 T C 0.867 175.562 174.700 -0.008 0.000 1.147 554 T CA -0.031 62.059 62.100 -0.017 0.000 1.064 554 T CB -0.165 68.679 68.868 -0.039 0.000 0.949 554 T HN 0.331 nan 8.240 nan 0.000 0.526 555 S N -0.091 115.618 115.700 0.014 0.000 2.713 555 S HA 0.303 4.773 4.470 0.000 0.000 0.283 555 S C 0.867 175.481 174.600 0.023 0.000 1.161 555 S CA -0.761 57.448 58.200 0.016 0.000 0.999 555 S CB 1.494 64.711 63.200 0.029 0.000 1.039 555 S HN 0.349 nan 8.310 nan 0.000 0.548 556 E N 0.704 120.915 120.200 0.018 0.000 2.442 556 E HA 0.176 4.526 4.350 0.000 0.000 0.195 556 E C 0.715 177.331 176.600 0.026 0.000 1.030 556 E CA 0.031 56.442 56.400 0.019 0.000 0.869 556 E CB 0.184 29.891 29.700 0.011 0.000 0.857 556 E HN 0.679 nan 8.360 nan 0.000 0.505 557 A N 1.876 124.714 122.820 0.030 0.000 2.466 557 A HA 0.054 4.374 4.320 0.000 0.000 0.238 557 A C 0.212 177.821 177.584 0.042 0.000 1.074 557 A CA -0.243 51.813 52.037 0.032 0.000 0.774 557 A CB 0.169 19.187 19.000 0.030 0.000 1.015 557 A HN 0.045 nan 8.150 nan 0.000 0.498 558 N N 2.676 121.404 118.700 0.046 0.000 2.807 558 N HA 0.099 4.839 4.740 0.000 0.000 0.259 558 N C -0.545 175.017 175.510 0.085 0.000 1.149 558 N CA 0.036 53.123 53.050 0.063 0.000 1.042 558 N CB -0.081 38.439 38.487 0.056 0.000 1.367 558 N HN 0.541 nan 8.380 nan 0.000 0.516 559 N N 1.249 119.971 118.700 0.036 0.000 2.408 559 N HA 0.289 5.030 4.740 0.000 0.000 0.260 559 N C -0.259 175.169 175.510 -0.136 0.000 1.242 559 N CA 0.014 52.968 53.050 -0.160 0.000 0.959 559 N CB 0.735 39.062 38.487 -0.267 0.000 1.201 559 N HN 0.394 nan 8.380 nan 0.000 0.511 560 Y N -3.848 116.130 120.300 -0.538 0.000 2.609 560 Y HA 0.758 5.308 4.550 0.000 0.000 0.336 560 Y C -0.172 175.498 175.900 -0.383 0.000 1.129 560 Y CA -1.165 56.750 58.100 -0.309 0.000 1.040 560 Y CB 1.207 39.578 38.460 -0.148 0.000 1.310 560 Y HN 0.694 nan 8.280 nan 0.000 0.460 561 G N 0.081 108.957 108.800 0.127 0.000 2.322 561 G HA2 0.511 4.471 3.960 0.000 0.000 0.295 561 G HA3 0.511 4.471 3.960 0.000 0.000 0.295 561 G C -1.926 173.121 174.900 0.244 0.000 1.369 561 G CA -0.757 44.474 45.100 0.218 0.000 0.821 561 G HN 0.759 nan 8.290 nan 0.000 0.536 562 T N 0.160 114.834 114.554 0.199 0.000 2.916 562 T HA 0.526 4.876 4.350 0.000 0.000 0.298 562 T C -1.099 173.679 174.700 0.130 0.000 1.031 562 T CA -0.435 61.753 62.100 0.147 0.000 0.993 562 T CB 1.887 70.826 68.868 0.118 0.000 1.045 562 T HN 0.794 nan 8.240 nan 0.000 0.454 563 L N 3.855 125.140 121.223 0.103 0.000 2.261 563 L HA 0.468 4.808 4.340 0.000 0.000 0.289 563 L C 1.283 178.212 176.870 0.098 0.000 1.059 563 L CA 0.230 55.125 54.840 0.091 0.000 0.816 563 L CB 0.602 42.694 42.059 0.054 0.000 1.191 563 L HN 0.897 nan 8.230 nan 0.000 0.431 564 T N 0.899 115.517 114.554 0.107 0.000 3.022 564 T HA 0.260 4.610 4.350 0.000 0.000 0.250 564 T C 0.620 175.382 174.700 0.104 0.000 1.060 564 T CA -0.052 62.107 62.100 0.097 0.000 1.013 564 T CB 0.031 68.952 68.868 0.089 0.000 0.982 564 T HN 0.476 nan 8.240 nan 0.000 0.508 565 K N 0.116 120.594 120.400 0.129 0.000 2.557 565 K HA 0.503 4.823 4.320 0.000 0.000 0.257 565 K C -2.511 174.228 176.600 0.231 0.000 0.933 565 K CA -0.908 55.465 56.287 0.144 0.000 0.820 565 K CB 2.092 34.658 32.500 0.110 0.000 1.330 565 K HN 0.051 nan 8.250 nan 0.000 0.432 566 F N 2.847 122.806 119.950 0.016 0.000 2.828 566 F HA 0.401 4.928 4.527 0.000 0.000 0.355 566 F C -1.506 174.277 175.800 -0.028 0.000 1.200 566 F CA -0.391 57.610 58.000 0.002 0.000 1.062 566 F CB 1.467 40.467 39.000 -0.001 0.000 1.351 566 F HN 0.300 nan 8.300 nan 0.000 0.504 567 T N 7.206 121.793 114.554 0.055 0.000 2.770 567 T HA 0.490 4.840 4.350 0.000 0.000 0.283 567 T C -0.959 173.601 174.700 -0.233 0.000 0.988 567 T CA -0.417 61.569 62.100 -0.189 0.000 0.957 567 T CB 1.295 70.112 68.868 -0.085 0.000 0.930 567 T HN 0.526 nan 8.240 nan 0.000 0.443 568 L N 5.602 126.547 121.223 -0.464 0.000 2.264 568 L HA 0.607 4.947 4.340 0.000 0.000 0.289 568 L C -0.875 175.793 176.870 -0.337 0.000 1.044 568 L CA -0.281 54.313 54.840 -0.410 0.000 0.807 568 L CB 0.799 42.471 42.059 -0.645 0.000 1.192 568 L HN 0.410 nan 8.230 nan 0.000 0.425 569 V N 6.913 126.670 119.914 -0.263 0.000 2.357 569 V HA 0.417 4.537 4.120 0.000 0.000 0.284 569 V C -0.083 175.831 176.094 -0.300 0.000 1.018 569 V CA -0.542 61.583 62.300 -0.292 0.000 0.841 569 V CB 1.403 33.075 31.823 -0.251 0.000 0.991 569 V HN 0.575 nan 8.190 nan 0.000 0.437 570 L N 5.620 126.633 121.223 -0.350 0.000 2.307 570 L HA 0.595 4.935 4.340 0.000 0.000 0.284 570 L C -1.032 175.653 176.870 -0.309 0.000 1.023 570 L CA -0.564 54.125 54.840 -0.251 0.000 0.810 570 L CB 1.174 43.108 42.059 -0.208 0.000 1.231 570 L HN 0.486 nan 8.230 nan 0.000 0.423 571 Y N 1.275 121.517 120.300 -0.096 0.000 2.409 571 Y HA 0.819 5.369 4.550 0.000 0.000 0.339 571 Y C 0.740 176.553 175.900 -0.146 0.000 1.033 571 Y CA -0.157 57.894 58.100 -0.083 0.000 1.094 571 Y CB 2.317 40.763 38.460 -0.023 0.000 1.210 571 Y HN 0.718 nan 8.280 nan 0.000 0.456 572 G N 0.311 109.123 108.800 0.021 0.000 2.344 572 G HA2 0.428 4.388 3.960 0.000 0.000 0.282 572 G HA3 0.428 4.388 3.960 0.000 0.000 0.282 572 G C -1.129 173.733 174.900 -0.062 0.000 1.281 572 G CA -0.372 44.671 45.100 -0.094 0.000 0.877 572 G HN 0.730 nan 8.290 nan 0.000 0.494 573 T N -2.382 112.121 114.554 -0.086 0.000 2.864 573 T HA 0.948 5.298 4.350 0.000 0.000 0.289 573 T C -0.081 174.563 174.700 -0.093 0.000 1.082 573 T CA 0.249 62.310 62.100 -0.066 0.000 1.009 573 T CB 1.682 70.521 68.868 -0.049 0.000 1.234 573 T HN 2.231 nan 8.240 nan 0.000 0.526 574 A N 1.150 123.927 122.820 -0.072 0.000 2.386 574 A HA 0.951 5.271 4.320 0.000 0.000 0.308 574 A C -2.299 175.261 177.584 -0.039 0.000 1.128 574 A CA -1.660 50.333 52.037 -0.073 0.000 0.789 574 A CB 0.056 19.034 19.000 -0.037 0.000 1.325 574 A HN 0.891 nan 8.150 nan 0.000 0.437 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 575 P CB 0.000 31.694 31.700 -0.010 0.000 0.726