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 1bcc_1_A DATA FIRST_RESID 4 DATA SEQUENCE YAQALQSVPE TQVSQLDNGV RVASEQSSQP TCTVGVWIDA GSRYESEKNN DATA SEQUENCE GAGYFLEHLA FKGTKNRPQN ALEKEVESMG AHLNAYSSRE HTAYYIKALS DATA SEQUENCE KDVPKAVELL ADIVQNCSLE DSQIEKERDV IVRELQENDT SMREVVFNYL DATA SEQUENCE HATAFQGTGL AQSVEGPSEN IRKLSRADLT EYLSTHYTAP RMVLAAAGGV DATA SEQUENCE EHQQLLELAQ KHFGGVPFTY DDDAVPTLSK CRFTGSQIRH REDGLPLAHV DATA SEQUENCE AIAVEGPGWA HPDLVALQVA NAIIGHYDRT YGGGLHSSSP LASIAVTNKL DATA SEQUENCE CQSFQTFSIC YSETGLFGFY FVCDRMSIDD MMFVLQGQWM RLCTSISESE DATA SEQUENCE VLRGKNFLRN ALVSHLDGTT PVCEDIGREL LTYGRRIPLE EWEERLAEVD DATA SEQUENCE ARMVREVCSK YIYDQCPAVA GPGPIEQLPD YNRIRSGMFW LR 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 4 Y HA 0.000 nan 4.550 nan 0.000 0.201 4 Y C 0.000 175.901 175.900 0.002 0.000 1.272 4 Y CA 0.000 58.102 58.100 0.002 0.000 1.940 4 Y CB 0.000 38.462 38.460 0.004 0.000 1.050 5 A N 1.697 124.398 122.820 -0.199 0.000 1.948 5 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 5 A C 1.823 179.282 177.584 -0.209 0.000 1.177 5 A CA 2.371 54.228 52.037 -0.300 0.000 0.636 5 A CB -0.716 18.235 19.000 -0.080 0.000 0.815 5 A HN 0.757 nan 8.150 nan 0.000 0.449 6 Q N -0.793 118.943 119.800 -0.105 0.000 2.046 6 Q HA -0.056 4.284 4.340 -0.000 0.000 0.200 6 Q C 2.498 178.446 176.000 -0.088 0.000 0.975 6 Q CA 1.176 56.935 55.803 -0.073 0.000 0.836 6 Q CB -0.441 28.280 28.738 -0.029 0.000 0.896 6 Q HN 0.662 nan 8.270 nan 0.000 0.428 7 A N 1.438 124.209 122.820 -0.082 0.000 1.927 7 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 7 A C 2.124 179.641 177.584 -0.111 0.000 1.185 7 A CA 1.432 53.431 52.037 -0.064 0.000 0.639 7 A CB -0.799 18.196 19.000 -0.009 0.000 0.820 7 A HN 0.287 nan 8.150 nan 0.000 0.451 8 L N -1.475 119.619 121.223 -0.215 0.000 2.072 8 L HA -0.189 4.150 4.340 -0.000 0.000 0.205 8 L C 2.877 179.665 176.870 -0.137 0.000 1.079 8 L CA 1.670 56.386 54.840 -0.207 0.000 0.752 8 L CB -0.578 41.282 42.059 -0.332 0.000 0.906 8 L HN 0.568 nan 8.230 nan 0.000 0.436 9 Q N -0.509 119.212 119.800 -0.132 0.000 2.226 9 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 9 Q C 2.019 177.977 176.000 -0.070 0.000 0.975 9 Q CA 1.568 57.316 55.803 -0.092 0.000 0.866 9 Q CB 0.070 28.760 28.738 -0.080 0.000 0.915 9 Q HN 0.288 nan 8.270 nan 0.000 0.440 10 S N -0.510 115.151 115.700 -0.064 0.000 2.634 10 S HA 0.136 4.606 4.470 -0.000 0.000 0.221 10 S C -0.151 174.422 174.600 -0.044 0.000 0.952 10 S CA -0.413 57.759 58.200 -0.047 0.000 0.930 10 S CB 0.331 63.510 63.200 -0.036 0.000 0.780 10 S HN 0.141 nan 8.310 nan 0.000 0.498 11 V N 5.363 125.245 119.914 -0.054 0.000 2.427 11 V HA 0.283 4.403 4.120 -0.000 0.000 0.268 11 V C -1.788 174.276 176.094 -0.050 0.000 1.046 11 V CA -1.923 60.348 62.300 -0.048 0.000 0.970 11 V CB 0.356 32.148 31.823 -0.052 0.000 1.001 11 V HN 0.423 nan 8.190 nan 0.000 0.476 12 P HA -0.029 nan 4.420 nan 0.000 0.264 12 P C -0.097 177.168 177.300 -0.059 0.000 1.173 12 P CA 0.146 63.218 63.100 -0.046 0.000 0.761 12 P CB 0.906 32.582 31.700 -0.039 0.000 0.794 13 E N 0.847 121.010 120.200 -0.061 0.000 2.390 13 E HA 0.122 4.472 4.350 -0.000 0.000 0.261 13 E C -0.390 176.155 176.600 -0.090 0.000 1.076 13 E CA -0.270 56.085 56.400 -0.075 0.000 0.905 13 E CB 0.440 30.100 29.700 -0.067 0.000 0.984 13 E HN 0.316 nan 8.360 nan 0.000 0.427 14 T N 4.219 118.708 114.554 -0.107 0.000 2.811 14 T HA 0.125 4.475 4.350 -0.000 0.000 0.309 14 T C -0.600 174.000 174.700 -0.167 0.000 1.005 14 T CA -0.535 61.484 62.100 -0.134 0.000 0.955 14 T CB 0.717 69.508 68.868 -0.128 0.000 0.970 14 T HN 0.397 nan 8.240 nan 0.000 0.496 15 Q N 2.243 121.897 119.800 -0.244 0.000 2.315 15 Q HA 0.327 4.667 4.340 -0.000 0.000 0.289 15 Q C -0.405 175.372 176.000 -0.372 0.000 1.044 15 Q CA 0.367 55.962 55.803 -0.347 0.000 0.920 15 Q CB 0.455 28.816 28.738 -0.629 0.000 1.214 15 Q HN 0.476 nan 8.270 nan 0.000 0.392 16 V N 1.658 121.506 119.914 -0.111 0.000 2.925 16 V HA 0.848 4.968 4.120 -0.000 0.000 0.311 16 V C -1.024 175.159 176.094 0.148 0.000 1.104 16 V CA -0.668 61.639 62.300 0.011 0.000 0.954 16 V CB 2.365 34.175 31.823 -0.022 0.000 1.022 16 V HN 0.861 nan 8.190 nan 0.000 0.427 17 S N 1.468 117.265 115.700 0.161 0.000 2.583 17 S HA 0.704 5.174 4.470 -0.000 0.000 0.294 17 S C -0.776 173.872 174.600 0.079 0.000 1.121 17 S CA -0.079 58.188 58.200 0.113 0.000 0.910 17 S CB 1.164 64.430 63.200 0.109 0.000 1.102 17 S HN 1.474 nan 8.310 nan 0.000 0.451 18 Q N 2.588 122.417 119.800 0.048 0.000 2.260 18 Q HA 0.801 5.141 4.340 -0.000 0.000 0.238 18 Q C -0.129 175.889 176.000 0.031 0.000 0.948 18 Q CA -0.734 55.092 55.803 0.038 0.000 0.895 18 Q CB 0.441 29.194 28.738 0.025 0.000 1.218 18 Q HN 0.828 nan 8.270 nan 0.000 0.470 19 L N 0.190 121.433 121.223 0.033 0.000 2.448 19 L HA 0.302 4.642 4.340 -0.000 0.000 0.258 19 L C 0.559 177.440 176.870 0.017 0.000 1.104 19 L CA -0.891 53.967 54.840 0.030 0.000 0.800 19 L CB 0.943 43.033 42.059 0.052 0.000 1.241 19 L HN 0.848 nan 8.230 nan 0.000 0.472 20 D N -0.027 120.380 120.400 0.011 0.000 2.371 20 D HA -0.115 4.525 4.640 -0.000 0.000 0.221 20 D C 1.240 177.540 176.300 -0.000 0.000 0.986 20 D CA 0.611 54.611 54.000 0.001 0.000 0.899 20 D CB 0.177 40.972 40.800 -0.008 0.000 0.902 20 D HN 0.436 nan 8.370 nan 0.000 0.530 21 N N 0.245 118.951 118.700 0.010 0.000 2.182 21 N HA -0.084 4.656 4.740 -0.000 0.000 0.186 21 N C 1.501 177.009 175.510 -0.003 0.000 1.036 21 N CA 1.976 55.030 53.050 0.006 0.000 0.850 21 N CB 0.627 39.126 38.487 0.019 0.000 1.010 21 N HN 0.260 nan 8.380 nan 0.000 0.432 22 G N -0.662 108.136 108.800 -0.003 0.000 3.246 22 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 22 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 22 G C -0.327 174.563 174.900 -0.017 0.000 0.978 22 G CA 0.065 45.160 45.100 -0.008 0.000 0.825 22 G HN 0.223 nan 8.290 nan 0.000 0.546 23 V N 2.523 122.420 119.914 -0.028 0.000 2.763 23 V HA 0.321 4.441 4.120 -0.000 0.000 0.306 23 V C 0.742 176.846 176.094 0.016 0.000 1.059 23 V CA 0.263 62.541 62.300 -0.036 0.000 1.138 23 V CB 0.884 32.670 31.823 -0.063 0.000 0.940 23 V HN 0.349 nan 8.190 nan 0.000 0.489 24 R N 3.406 123.918 120.500 0.020 0.000 2.294 24 R HA 0.594 4.934 4.340 -0.000 0.000 0.319 24 R C -1.289 175.057 176.300 0.077 0.000 0.984 24 R CA -0.619 55.506 56.100 0.041 0.000 0.861 24 R CB 1.642 31.953 30.300 0.019 0.000 1.104 24 R HN 0.481 nan 8.270 nan 0.000 0.451 25 V N 2.761 122.744 119.914 0.116 0.000 2.334 25 V HA 0.605 4.725 4.120 -0.000 0.000 0.281 25 V C -0.147 176.060 176.094 0.187 0.000 1.016 25 V CA -0.525 61.876 62.300 0.167 0.000 0.832 25 V CB 1.257 33.199 31.823 0.198 0.000 0.999 25 V HN 0.947 nan 8.190 nan 0.000 0.439 26 A N 4.277 127.146 122.820 0.082 0.000 2.479 26 A HA 1.067 5.387 4.320 -0.000 0.000 0.296 26 A C -0.266 177.269 177.584 -0.080 0.000 1.121 26 A CA -0.136 51.873 52.037 -0.047 0.000 0.743 26 A CB 2.257 21.213 19.000 -0.073 0.000 1.323 26 A HN 1.295 nan 8.150 nan 0.000 0.415 27 S N -0.466 115.123 115.700 -0.185 0.000 2.627 27 S HA 0.571 5.041 4.470 -0.000 0.000 0.268 27 S C -1.345 173.167 174.600 -0.147 0.000 1.130 27 S CA -0.553 57.571 58.200 -0.127 0.000 0.819 27 S CB 1.273 64.430 63.200 -0.072 0.000 1.100 27 S HN 1.069 nan 8.310 nan 0.000 0.465 28 E N 0.646 120.791 120.200 -0.091 0.000 2.279 28 E HA 0.310 4.660 4.350 -0.000 0.000 0.252 28 E C -0.932 175.638 176.600 -0.049 0.000 0.894 28 E CA -0.335 56.017 56.400 -0.078 0.000 0.785 28 E CB 1.449 31.108 29.700 -0.068 0.000 1.237 28 E HN 0.627 nan 8.360 nan 0.000 0.418 29 Q N 2.956 122.729 119.800 -0.045 0.000 2.304 29 Q HA 0.150 4.490 4.340 -0.000 0.000 0.260 29 Q C 0.016 176.004 176.000 -0.021 0.000 0.965 29 Q CA 0.303 56.092 55.803 -0.022 0.000 0.898 29 Q CB 1.001 29.731 28.738 -0.013 0.000 1.196 29 Q HN 0.738 nan 8.270 nan 0.000 0.402 30 S N 1.888 117.580 115.700 -0.014 0.000 3.214 30 S HA 0.279 4.749 4.470 -0.000 0.000 0.182 30 S C 1.031 175.626 174.600 -0.008 0.000 0.728 30 S CA 0.456 58.648 58.200 -0.012 0.000 0.814 30 S CB 0.569 63.763 63.200 -0.011 0.000 0.859 30 S HN 0.681 nan 8.310 nan 0.000 0.647 31 S N -0.374 115.322 115.700 -0.006 0.000 2.455 31 S HA 0.020 4.490 4.470 -0.000 0.000 0.110 31 S C -1.175 173.422 174.600 -0.004 0.000 0.603 31 S CA -0.109 58.088 58.200 -0.004 0.000 1.510 31 S CB -1.306 61.892 63.200 -0.004 0.000 0.940 31 S HN 0.532 nan 8.310 nan 0.000 0.267 32 Q N 3.309 123.106 119.800 -0.005 0.000 2.859 32 Q HA -0.002 4.338 4.340 -0.000 0.000 0.364 32 Q C -1.744 174.252 176.000 -0.007 0.000 1.067 32 Q CA 0.394 56.193 55.803 -0.006 0.000 1.162 32 Q CB 0.382 29.116 28.738 -0.006 0.000 1.023 32 Q HN 0.455 nan 8.270 nan 0.000 0.415 33 P HA -0.183 nan 4.420 nan 0.000 0.220 33 P C 0.388 177.680 177.300 -0.014 0.000 1.144 33 P CA 1.352 64.446 63.100 -0.010 0.000 0.800 33 P CB 0.118 31.812 31.700 -0.011 0.000 0.772 34 T N -1.972 112.572 114.554 -0.015 0.000 2.910 34 T HA 0.578 4.928 4.350 -0.000 0.000 0.279 34 T C 0.423 175.115 174.700 -0.012 0.000 0.989 34 T CA -0.409 61.679 62.100 -0.021 0.000 0.968 34 T CB 1.270 70.122 68.868 -0.028 0.000 1.135 34 T HN 0.459 nan 8.240 nan 0.000 0.562 35 C N -1.198 118.095 119.300 -0.011 0.000 3.209 35 C HA 0.861 5.321 4.460 -0.000 0.000 0.353 35 C C -1.000 173.997 174.990 0.012 0.000 1.436 35 C CA -0.282 58.737 59.018 0.002 0.000 1.186 35 C CB 0.854 28.599 27.740 0.007 0.000 1.550 35 C HN 1.547 nan 8.230 nan 0.000 0.435 36 T N -0.556 114.017 114.554 0.031 0.000 3.105 36 T HA 0.711 5.061 4.350 -0.000 0.000 0.321 36 T C -0.779 173.983 174.700 0.104 0.000 1.135 36 T CA 0.100 62.238 62.100 0.063 0.000 1.053 36 T CB 0.636 69.526 68.868 0.037 0.000 1.133 36 T HN 2.554 nan 8.240 nan 0.000 0.463 37 V N -0.370 119.629 119.914 0.142 0.000 2.962 37 V HA 1.098 5.218 4.120 -0.000 0.000 0.313 37 V C 0.064 176.308 176.094 0.252 0.000 1.099 37 V CA -0.198 62.211 62.300 0.182 0.000 0.971 37 V CB 1.382 33.277 31.823 0.120 0.000 1.028 37 V HN 1.674 nan 8.190 nan 0.000 0.430 38 G N 0.376 109.375 108.800 0.331 0.000 2.466 38 G HA2 0.571 4.531 3.960 -0.000 0.000 0.291 38 G HA3 0.571 4.531 3.960 -0.000 0.000 0.291 38 G C -1.811 173.281 174.900 0.320 0.000 1.460 38 G CA -0.036 45.234 45.100 0.284 0.000 0.791 38 G HN 1.592 nan 8.290 nan 0.000 0.505 39 V N -0.210 119.769 119.914 0.109 0.000 2.547 39 V HA 0.864 4.984 4.120 -0.000 0.000 0.299 39 V C -1.481 174.506 176.094 -0.178 0.000 1.040 39 V CA -0.914 61.468 62.300 0.137 0.000 0.913 39 V CB 1.401 33.272 31.823 0.080 0.000 0.992 39 V HN 0.661 nan 8.190 nan 0.000 0.449 40 W N 6.692 127.937 121.300 -0.091 0.000 2.424 40 W HA 0.618 5.278 4.660 -0.000 0.000 0.318 40 W C -0.438 175.912 176.519 -0.281 0.000 1.016 40 W CA -0.976 56.247 57.345 -0.204 0.000 1.268 40 W CB 1.018 30.358 29.460 -0.201 0.000 1.297 40 W HN 0.277 nan 8.180 nan 0.000 0.428 41 I N 1.925 122.369 120.570 -0.211 0.000 2.532 41 I HA 0.051 4.221 4.170 -0.000 0.000 0.292 41 I C 0.583 176.576 176.117 -0.207 0.000 1.014 41 I CA -0.647 60.497 61.300 -0.261 0.000 1.340 41 I CB 1.026 38.777 38.000 -0.414 0.000 1.422 41 I HN 0.458 nan 8.210 nan 0.000 0.528 42 D N 4.089 124.383 120.400 -0.176 0.000 2.994 42 D HA 0.480 5.120 4.640 -0.000 0.000 0.240 42 D C -0.412 175.703 176.300 -0.309 0.000 1.195 42 D CA 0.030 53.968 54.000 -0.104 0.000 0.957 42 D CB 0.000 40.776 40.800 -0.040 0.000 1.105 42 D HN 0.678 nan 8.370 nan 0.000 0.477 43 A N 0.262 122.916 122.820 -0.277 0.000 2.520 43 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 43 A C 0.039 177.634 177.584 0.018 0.000 1.051 43 A CA -0.328 51.416 52.037 -0.489 0.000 0.690 43 A CB 1.851 20.642 19.000 -0.349 0.000 1.281 43 A HN 0.338 nan 8.150 nan 0.000 0.402 44 G N -0.661 108.295 108.800 0.260 0.000 2.815 44 G HA2 0.537 4.497 3.960 -0.000 0.000 0.305 44 G HA3 0.537 4.497 3.960 -0.000 0.000 0.305 44 G C 0.806 175.882 174.900 0.294 0.000 1.277 44 G CA 0.558 45.860 45.100 0.338 0.000 0.795 44 G HN 1.521 nan 8.290 nan 0.000 0.528 45 S N -0.745 115.060 115.700 0.175 0.000 2.446 45 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 45 S C 2.028 176.684 174.600 0.093 0.000 1.016 45 S CA 1.134 59.380 58.200 0.078 0.000 0.943 45 S CB -0.141 63.062 63.200 0.004 0.000 0.786 45 S HN 0.596 nan 8.310 nan 0.000 0.508 46 R N 0.386 120.945 120.500 0.098 0.000 2.117 46 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 46 R C 1.200 177.476 176.300 -0.041 0.000 1.143 46 R CA 1.687 57.763 56.100 -0.040 0.000 0.968 46 R CB -0.472 29.729 30.300 -0.164 0.000 0.863 46 R HN 0.562 nan 8.270 nan 0.000 0.444 47 Y N 0.796 121.130 120.300 0.057 0.000 2.578 47 Y HA 0.097 4.647 4.550 -0.000 0.000 0.297 47 Y C 0.425 176.401 175.900 0.125 0.000 1.176 47 Y CA 0.179 58.339 58.100 0.100 0.000 1.315 47 Y CB -0.052 38.449 38.460 0.069 0.000 1.031 47 Y HN 0.141 nan 8.280 nan 0.000 0.524 48 E N -0.608 119.709 120.200 0.195 0.000 2.351 48 E HA 0.340 4.690 4.350 -0.000 0.000 0.255 48 E C -0.031 176.632 176.600 0.104 0.000 1.188 48 E CA -0.364 56.120 56.400 0.139 0.000 0.940 48 E CB 0.777 30.500 29.700 0.039 0.000 1.094 48 E HN -0.026 nan 8.360 nan 0.000 0.474 49 S N 0.022 115.774 115.700 0.086 0.000 2.786 49 S HA 0.051 4.521 4.470 -0.000 0.000 0.307 49 S C 0.910 175.533 174.600 0.038 0.000 1.121 49 S CA -0.798 57.439 58.200 0.063 0.000 0.975 49 S CB 1.277 64.516 63.200 0.065 0.000 1.220 49 S HN 0.673 nan 8.310 nan 0.000 0.550 50 E N 0.249 120.468 120.200 0.031 0.000 2.268 50 E HA -0.077 4.273 4.350 -0.000 0.000 0.195 50 E C 0.760 177.372 176.600 0.020 0.000 0.995 50 E CA 1.023 57.436 56.400 0.022 0.000 0.836 50 E CB 0.058 29.770 29.700 0.020 0.000 0.763 50 E HN 0.389 nan 8.360 nan 0.000 0.491 51 K N -0.639 119.774 120.400 0.022 0.000 2.412 51 K HA 0.084 4.404 4.320 -0.000 0.000 0.202 51 K C 1.635 178.243 176.600 0.013 0.000 1.102 51 K CA -0.026 56.271 56.287 0.016 0.000 1.027 51 K CB 0.287 32.795 32.500 0.014 0.000 0.931 51 K HN -0.044 nan 8.250 nan 0.000 0.557 52 N N 2.074 120.789 118.700 0.026 0.000 2.368 52 N HA -0.084 4.656 4.740 -0.000 0.000 0.176 52 N C -0.011 175.492 175.510 -0.012 0.000 1.021 52 N CA 0.255 53.321 53.050 0.027 0.000 0.888 52 N CB 0.065 38.602 38.487 0.084 0.000 0.995 52 N HN 0.177 nan 8.380 nan 0.000 0.437 53 N N -0.290 118.408 118.700 -0.003 0.000 2.223 53 N HA -0.042 4.698 4.740 -0.000 0.000 0.271 53 N C 0.744 176.240 175.510 -0.024 0.000 1.315 53 N CA 1.019 54.056 53.050 -0.022 0.000 0.835 53 N CB 0.077 38.561 38.487 -0.005 0.000 1.066 53 N HN 0.438 nan 8.380 nan 0.000 0.486 54 G N 1.977 110.748 108.800 -0.048 0.000 2.307 54 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.210 54 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.210 54 G C 0.877 175.791 174.900 0.022 0.000 1.005 54 G CA 0.422 45.535 45.100 0.022 0.000 0.634 54 G HN 0.866 nan 8.290 nan 0.000 0.496 55 A N 0.900 123.643 122.820 -0.128 0.000 1.848 55 A HA 0.164 4.484 4.320 -0.000 0.000 0.217 55 A C 3.097 180.481 177.584 -0.333 0.000 1.220 55 A CA 3.413 55.313 52.037 -0.229 0.000 0.645 55 A CB -1.511 17.262 19.000 -0.379 0.000 0.842 55 A HN 1.903 nan 8.150 nan 0.000 0.451 56 G N -2.335 105.917 108.800 -0.913 0.000 2.606 56 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.223 56 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.223 56 G C 1.521 176.399 174.900 -0.037 0.000 1.106 56 G CA 1.792 46.545 45.100 -0.578 0.000 0.745 56 G HN 0.641 nan 8.290 nan 0.000 0.597 57 Y N -0.567 119.643 120.300 -0.149 0.000 2.301 57 Y HA 0.253 4.803 4.550 -0.000 0.000 0.295 57 Y C 2.288 178.138 175.900 -0.082 0.000 1.119 57 Y CA 0.291 58.314 58.100 -0.129 0.000 1.162 57 Y CB -0.340 38.048 38.460 -0.120 0.000 1.046 57 Y HN 0.139 nan 8.280 nan 0.000 0.538 58 F N 0.131 120.058 119.950 -0.038 0.000 2.126 58 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 58 F C 2.232 177.978 175.800 -0.090 0.000 1.096 58 F CA 1.635 59.607 58.000 -0.047 0.000 1.255 58 F CB -0.784 38.207 39.000 -0.016 0.000 0.997 58 F HN 0.188 nan 8.300 nan 0.000 0.479 59 L N 0.595 121.926 121.223 0.179 0.000 2.012 59 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 59 L C 2.254 179.123 176.870 -0.001 0.000 1.073 59 L CA 2.290 57.192 54.840 0.105 0.000 0.748 59 L CB -1.360 40.783 42.059 0.140 0.000 0.891 59 L HN 0.342 nan 8.230 nan 0.000 0.431 60 E N -1.218 118.920 120.200 -0.104 0.000 2.058 60 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 60 E C 1.897 178.281 176.600 -0.359 0.000 0.997 60 E CA 1.359 57.610 56.400 -0.248 0.000 0.801 60 E CB -0.200 29.239 29.700 -0.435 0.000 0.746 60 E HN 0.650 nan 8.360 nan 0.000 0.450 61 H N -0.520 118.322 119.070 -0.380 0.000 2.568 61 H HA -0.035 4.521 4.556 -0.000 0.000 0.281 61 H C 1.468 176.666 175.328 -0.218 0.000 1.028 61 H CA 0.784 56.624 56.048 -0.346 0.000 1.199 61 H CB 0.174 29.678 29.762 -0.429 0.000 1.352 61 H HN 0.255 nan 8.280 nan 0.000 0.605 62 L N -1.697 119.490 121.223 -0.059 0.000 2.840 62 L HA 0.236 4.576 4.340 -0.000 0.000 0.249 62 L C 2.437 179.268 176.870 -0.065 0.000 1.119 62 L CA 0.476 55.305 54.840 -0.019 0.000 0.930 62 L CB 0.093 42.181 42.059 0.049 0.000 1.295 62 L HN 0.035 nan 8.230 nan 0.000 0.534 63 A N 0.751 123.462 122.820 -0.181 0.000 1.958 63 A HA -0.236 4.084 4.320 -0.000 0.000 0.221 63 A C 1.846 179.396 177.584 -0.057 0.000 1.178 63 A CA 1.976 53.873 52.037 -0.232 0.000 0.642 63 A CB -0.504 18.258 19.000 -0.396 0.000 0.816 63 A HN 0.350 nan 8.150 nan 0.000 0.453 64 F N -0.908 119.055 119.950 0.022 0.000 2.446 64 F HA 0.173 4.700 4.527 -0.000 0.000 0.292 64 F C 1.463 177.263 175.800 0.001 0.000 1.096 64 F CA 0.694 58.698 58.000 0.008 0.000 1.438 64 F CB -0.624 38.386 39.000 0.017 0.000 1.107 64 F HN -0.038 nan 8.300 nan 0.000 0.546 65 K N 1.067 121.570 120.400 0.172 0.000 2.732 65 K HA 0.262 4.582 4.320 -0.000 0.000 0.206 65 K C 0.577 177.217 176.600 0.066 0.000 0.992 65 K CA 0.552 56.896 56.287 0.096 0.000 1.035 65 K CB -1.127 31.407 32.500 0.056 0.000 0.843 65 K HN 0.355 nan 8.250 nan 0.000 0.488 66 G N -0.735 108.109 108.800 0.075 0.000 2.617 66 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.686 66 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.686 66 G C -0.320 174.600 174.900 0.033 0.000 1.214 66 G CA -0.588 44.540 45.100 0.047 0.000 0.796 66 G HN 0.231 nan 8.290 nan 0.000 0.654 67 T N -1.460 113.109 114.554 0.026 0.000 2.927 67 T HA 0.704 5.054 4.350 -0.000 0.000 0.286 67 T C 1.339 176.048 174.700 0.014 0.000 1.040 67 T CA -0.028 62.083 62.100 0.018 0.000 1.010 67 T CB 2.074 70.954 68.868 0.020 0.000 1.177 67 T HN 0.626 nan 8.240 nan 0.000 0.546 68 K N 0.226 120.632 120.400 0.010 0.000 2.057 68 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 68 K C 2.216 178.823 176.600 0.011 0.000 1.050 68 K CA 1.330 57.622 56.287 0.008 0.000 0.935 68 K CB -0.305 32.199 32.500 0.005 0.000 0.715 68 K HN 0.694 nan 8.250 nan 0.000 0.439 69 N N 1.088 119.797 118.700 0.014 0.000 2.364 69 N HA -0.144 4.596 4.740 -0.000 0.000 0.183 69 N C -0.282 175.236 175.510 0.014 0.000 1.022 69 N CA 0.462 53.521 53.050 0.016 0.000 0.883 69 N CB 0.274 38.774 38.487 0.022 0.000 0.965 69 N HN 0.118 nan 8.380 nan 0.000 0.438 70 R N -0.192 120.317 120.500 0.014 0.000 3.009 70 R HA 0.286 4.626 4.340 -0.000 0.000 0.278 70 R C -3.192 173.117 176.300 0.015 0.000 1.515 70 R CA -1.338 54.770 56.100 0.013 0.000 1.055 70 R CB 0.953 31.260 30.300 0.012 0.000 1.345 70 R HN -0.117 nan 8.270 nan 0.000 0.421 71 P HA -0.217 nan 4.420 nan 0.000 0.272 71 P C 0.332 177.643 177.300 0.018 0.000 1.239 71 P CA 0.052 63.161 63.100 0.015 0.000 0.807 71 P CB 0.868 32.575 31.700 0.011 0.000 0.951 72 Q N 1.711 121.524 119.800 0.021 0.000 1.935 72 Q HA -0.342 3.998 4.340 -0.000 0.000 0.212 72 Q C 2.292 178.302 176.000 0.018 0.000 1.008 72 Q CA 2.962 58.780 55.803 0.025 0.000 0.868 72 Q CB -1.281 27.471 28.738 0.024 0.000 0.946 72 Q HN 0.575 nan 8.270 nan 0.000 0.418 73 N N -0.017 118.690 118.700 0.013 0.000 2.139 73 N HA -0.325 4.415 4.740 -0.000 0.000 0.199 73 N C 1.808 177.322 175.510 0.007 0.000 1.003 73 N CA 2.964 56.019 53.050 0.008 0.000 0.892 73 N CB -1.295 37.196 38.487 0.006 0.000 1.039 73 N HN 0.611 nan 8.380 nan 0.000 0.461 74 A N -0.218 122.606 122.820 0.008 0.000 1.826 74 A HA 0.295 4.615 4.320 -0.000 0.000 0.214 74 A C 2.466 180.053 177.584 0.005 0.000 1.212 74 A CA 1.705 53.746 52.037 0.006 0.000 0.605 74 A CB -0.837 18.167 19.000 0.007 0.000 0.861 74 A HN 0.790 nan 8.150 nan 0.000 0.447 75 L N 0.389 121.617 121.223 0.009 0.000 2.010 75 L HA -0.297 4.043 4.340 -0.000 0.000 0.219 75 L C 2.264 179.132 176.870 -0.003 0.000 1.077 75 L CA 2.850 57.694 54.840 0.007 0.000 0.773 75 L CB -0.873 41.200 42.059 0.023 0.000 0.892 75 L HN 0.602 nan 8.230 nan 0.000 0.436 76 E N -0.682 119.519 120.200 0.002 0.000 2.038 76 E HA -0.319 4.031 4.350 -0.000 0.000 0.195 76 E C 2.253 178.847 176.600 -0.010 0.000 1.000 76 E CA 1.755 58.149 56.400 -0.009 0.000 0.803 76 E CB -0.257 29.443 29.700 0.000 0.000 0.750 76 E HN 0.493 nan 8.360 nan 0.000 0.448 77 K N 1.046 121.443 120.400 -0.004 0.000 2.063 77 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 77 K C 2.163 178.760 176.600 -0.004 0.000 1.048 77 K CA 1.718 58.003 56.287 -0.003 0.000 0.928 77 K CB -0.017 32.483 32.500 -0.000 0.000 0.713 77 K HN 0.049 nan 8.250 nan 0.000 0.442 78 E N -0.199 119.997 120.200 -0.006 0.000 2.153 78 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 78 E C 1.668 178.261 176.600 -0.012 0.000 0.988 78 E CA 1.129 57.524 56.400 -0.008 0.000 0.811 78 E CB 0.243 29.938 29.700 -0.008 0.000 0.746 78 E HN 0.160 nan 8.360 nan 0.000 0.466 79 V N 0.903 120.807 119.914 -0.017 0.000 2.302 79 V HA -0.170 3.950 4.120 -0.000 0.000 0.243 79 V C 2.071 178.164 176.094 -0.002 0.000 1.036 79 V CA 1.805 64.093 62.300 -0.019 0.000 1.020 79 V CB -0.563 31.234 31.823 -0.043 0.000 0.657 79 V HN 0.234 nan 8.190 nan 0.000 0.453 80 E N 1.265 121.464 120.200 -0.001 0.000 2.065 80 E HA -0.270 4.080 4.350 -0.000 0.000 0.201 80 E C 2.325 178.933 176.600 0.014 0.000 1.016 80 E CA 2.083 58.491 56.400 0.013 0.000 0.818 80 E CB -0.341 29.361 29.700 0.004 0.000 0.749 80 E HN 0.731 nan 8.360 nan 0.000 0.453 81 S N 1.070 116.773 115.700 0.005 0.000 2.420 81 S HA -0.204 4.266 4.470 -0.000 0.000 0.237 81 S C 1.961 176.561 174.600 0.000 0.000 1.023 81 S CA 1.608 59.809 58.200 0.002 0.000 0.991 81 S CB -0.501 62.698 63.200 -0.001 0.000 0.792 81 S HN 0.392 nan 8.310 nan 0.000 0.488 82 M N -1.030 118.569 119.600 -0.002 0.000 2.419 82 M HA 0.562 5.042 4.480 -0.000 0.000 0.252 82 M C 1.222 177.514 176.300 -0.013 0.000 1.143 82 M CA 0.266 55.561 55.300 -0.009 0.000 0.985 82 M CB -0.076 32.515 32.600 -0.014 0.000 1.489 82 M HN 0.280 nan 8.290 nan 0.000 0.484 83 G N 1.492 110.292 108.800 0.000 0.000 2.203 83 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.263 83 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.263 83 G C 0.139 175.011 174.900 -0.047 0.000 1.012 83 G CA 0.333 45.429 45.100 -0.006 0.000 0.749 83 G HN 0.957 nan 8.290 nan 0.000 0.512 84 A N -0.319 122.497 122.820 -0.007 0.000 2.304 84 A HA 0.758 5.078 4.320 -0.000 0.000 0.301 84 A C -0.011 177.650 177.584 0.129 0.000 1.132 84 A CA -0.441 51.586 52.037 -0.017 0.000 0.819 84 A CB 0.623 19.617 19.000 -0.010 0.000 1.094 84 A HN 0.573 nan 8.150 nan 0.000 0.492 85 H N 0.616 119.680 119.070 -0.010 0.000 2.511 85 H HA 0.461 5.017 4.556 -0.000 0.000 0.328 85 H C -1.247 174.058 175.328 -0.039 0.000 1.044 85 H CA -0.716 55.321 56.048 -0.018 0.000 1.212 85 H CB 1.726 31.507 29.762 0.031 0.000 1.428 85 H HN 0.470 nan 8.280 nan 0.000 0.483 86 L N 3.944 125.129 121.223 -0.063 0.000 2.298 86 L HA 0.393 4.733 4.340 -0.000 0.000 0.284 86 L C -0.852 175.763 176.870 -0.425 0.000 1.013 86 L CA -0.216 54.456 54.840 -0.281 0.000 0.824 86 L CB 0.836 42.580 42.059 -0.524 0.000 1.221 86 L HN 0.664 nan 8.230 nan 0.000 0.418 87 N N 3.806 122.302 118.700 -0.340 0.000 2.732 87 N HA 0.959 5.699 4.740 -0.000 0.000 0.259 87 N C -1.617 173.531 175.510 -0.604 0.000 1.402 87 N CA 0.134 53.001 53.050 -0.305 0.000 0.829 87 N CB 2.265 40.658 38.487 -0.156 0.000 1.495 87 N HN 0.915 nan 8.380 nan 0.000 0.511 88 A N -0.311 122.265 122.820 -0.407 0.000 2.410 88 A HA 0.583 4.903 4.320 -0.000 0.000 0.300 88 A C -2.171 175.236 177.584 -0.294 0.000 1.077 88 A CA -0.302 51.367 52.037 -0.614 0.000 0.610 88 A CB 0.155 18.715 19.000 -0.732 0.000 1.371 88 A HN 1.103 nan 8.150 nan 0.000 0.510 89 Y N -2.331 117.710 120.300 -0.431 0.000 2.788 89 Y HA 0.825 5.375 4.550 -0.000 0.000 0.335 89 Y C -0.618 175.158 175.900 -0.206 0.000 1.287 89 Y CA -0.663 57.296 58.100 -0.235 0.000 1.068 89 Y CB 0.730 39.138 38.460 -0.088 0.000 1.340 89 Y HN 1.786 nan 8.280 nan 0.000 0.449 90 S N 0.295 116.161 115.700 0.277 0.000 2.592 90 S HA 0.649 5.119 4.470 -0.000 0.000 0.275 90 S C -0.775 173.979 174.600 0.257 0.000 1.169 90 S CA -0.122 58.212 58.200 0.223 0.000 0.958 90 S CB 1.104 64.368 63.200 0.108 0.000 1.095 90 S HN 1.489 nan 8.310 nan 0.000 0.471 91 S N 3.020 118.898 115.700 0.296 0.000 2.626 91 S HA 0.516 4.986 4.470 -0.000 0.000 0.243 91 S C 0.954 175.670 174.600 0.194 0.000 1.116 91 S CA -0.929 57.395 58.200 0.206 0.000 1.089 91 S CB 0.276 63.617 63.200 0.235 0.000 1.180 91 S HN 0.725 nan 8.310 nan 0.000 0.523 92 R N 0.576 121.218 120.500 0.238 0.000 2.156 92 R HA 0.308 4.648 4.340 -0.000 0.000 0.207 92 R C 0.560 177.035 176.300 0.291 0.000 1.040 92 R CA 0.714 56.928 56.100 0.190 0.000 1.013 92 R CB 0.038 30.393 30.300 0.091 0.000 0.931 92 R HN 0.646 nan 8.270 nan 0.000 0.465 93 E N 0.164 120.618 120.200 0.423 0.000 3.306 93 E HA 0.138 4.488 4.350 -0.000 0.000 0.197 93 E C -1.061 175.863 176.600 0.539 0.000 0.980 93 E CA -0.065 56.645 56.400 0.517 0.000 1.259 93 E CB 0.748 30.750 29.700 0.503 0.000 1.112 93 E HN 0.143 nan 8.360 nan 0.000 0.458 94 H N 0.071 119.320 119.070 0.297 0.000 3.163 94 H HA 0.165 4.721 4.556 -0.000 0.000 0.298 94 H C -1.542 173.900 175.328 0.191 0.000 1.187 94 H CA -0.071 56.123 56.048 0.244 0.000 1.525 94 H CB 1.169 31.113 29.762 0.304 0.000 2.172 94 H HN -0.009 nan 8.280 nan 0.000 0.397 95 T N 2.818 117.426 114.554 0.090 0.000 2.924 95 T HA 0.905 5.255 4.350 -0.000 0.000 0.291 95 T C -0.679 173.742 174.700 -0.467 0.000 1.045 95 T CA -0.139 61.870 62.100 -0.152 0.000 1.015 95 T CB 1.853 70.652 68.868 -0.114 0.000 1.103 95 T HN 0.736 nan 8.240 nan 0.000 0.496 96 A N 1.414 123.674 122.820 -0.933 0.000 2.605 96 A HA 0.718 5.038 4.320 -0.000 0.000 0.294 96 A C -2.396 174.443 177.584 -1.242 0.000 1.062 96 A CA -0.836 50.535 52.037 -1.109 0.000 0.682 96 A CB 1.095 19.122 19.000 -1.623 0.000 1.278 96 A HN 0.726 nan 8.150 nan 0.000 0.410 97 Y N 0.580 120.475 120.300 -0.676 0.000 2.373 97 Y HA 0.633 5.183 4.550 -0.000 0.000 0.336 97 Y C -0.556 175.151 175.900 -0.321 0.000 0.979 97 Y CA -0.580 57.271 58.100 -0.415 0.000 1.080 97 Y CB 1.917 40.293 38.460 -0.140 0.000 1.190 97 Y HN 0.767 nan 8.280 nan 0.000 0.446 98 Y N 0.833 121.094 120.300 -0.064 0.000 2.524 98 Y HA 0.901 5.451 4.550 -0.000 0.000 0.347 98 Y C -1.551 174.369 175.900 0.035 0.000 1.005 98 Y CA -2.372 55.718 58.100 -0.016 0.000 1.025 98 Y CB 1.273 39.725 38.460 -0.015 0.000 1.275 98 Y HN 0.467 nan 8.280 nan 0.000 0.460 99 I N 3.159 123.905 120.570 0.292 0.000 2.646 99 I HA 0.457 4.627 4.170 -0.000 0.000 0.299 99 I C -1.132 175.089 176.117 0.174 0.000 1.036 99 I CA -1.304 60.108 61.300 0.186 0.000 1.074 99 I CB 2.611 40.657 38.000 0.078 0.000 1.258 99 I HN 0.738 nan 8.210 nan 0.000 0.430 100 K N 4.797 125.276 120.400 0.132 0.000 2.535 100 K HA 0.872 5.192 4.320 -0.000 0.000 0.253 100 K C -1.185 175.396 176.600 -0.030 0.000 0.953 100 K CA -0.564 55.757 56.287 0.056 0.000 0.863 100 K CB 2.448 34.988 32.500 0.067 0.000 1.111 100 K HN 0.634 nan 8.250 nan 0.000 0.431 101 A N 2.603 125.407 122.820 -0.027 0.000 2.686 101 A HA 0.580 4.900 4.320 -0.000 0.000 0.263 101 A C -0.539 177.019 177.584 -0.043 0.000 1.264 101 A CA -0.818 51.188 52.037 -0.051 0.000 0.799 101 A CB 0.322 19.303 19.000 -0.032 0.000 1.363 101 A HN 0.502 nan 8.150 nan 0.000 0.507 102 L N 1.492 122.693 121.223 -0.037 0.000 2.805 102 L HA 0.196 4.536 4.340 -0.000 0.000 0.237 102 L C 1.372 178.232 176.870 -0.017 0.000 1.252 102 L CA 1.069 55.892 54.840 -0.029 0.000 1.064 102 L CB -0.757 41.285 42.059 -0.029 0.000 1.361 102 L HN 1.044 nan 8.230 nan 0.000 0.474 103 S N -1.598 114.095 115.700 -0.012 0.000 3.023 103 S HA -0.412 4.058 4.470 -0.000 0.000 0.318 103 S C 1.402 175.998 174.600 -0.007 0.000 1.285 103 S CA 1.954 60.151 58.200 -0.005 0.000 1.050 103 S CB -1.459 61.739 63.200 -0.002 0.000 1.161 103 S HN 0.724 nan 8.310 nan 0.000 0.702 104 K N 0.981 121.375 120.400 -0.011 0.000 2.358 104 K HA 0.122 4.442 4.320 -0.000 0.000 0.197 104 K C -0.101 176.491 176.600 -0.013 0.000 1.025 104 K CA 0.480 56.761 56.287 -0.010 0.000 1.104 104 K CB 0.279 32.772 32.500 -0.012 0.000 0.855 104 K HN 0.533 nan 8.250 nan 0.000 0.531 105 D N 0.534 120.924 120.400 -0.017 0.000 2.582 105 D HA 0.010 4.650 4.640 -0.000 0.000 0.246 105 D C 1.306 177.587 176.300 -0.031 0.000 1.334 105 D CA 0.006 53.992 54.000 -0.024 0.000 0.805 105 D CB 0.964 41.748 40.800 -0.026 0.000 1.087 105 D HN -0.100 nan 8.370 nan 0.000 0.499 106 V N 2.685 122.586 119.914 -0.022 0.000 2.233 106 V HA -0.234 3.886 4.120 -0.000 0.000 0.252 106 V C -0.147 175.910 176.094 -0.060 0.000 1.063 106 V CA 2.290 64.576 62.300 -0.024 0.000 1.032 106 V CB -1.577 30.242 31.823 -0.005 0.000 0.645 106 V HN 0.245 nan 8.190 nan 0.000 0.446 107 P HA -0.233 nan 4.420 nan 0.000 0.215 107 P C 1.517 178.717 177.300 -0.167 0.000 1.157 107 P CA 2.021 65.065 63.100 -0.092 0.000 0.874 107 P CB 0.028 31.712 31.700 -0.025 0.000 0.790 108 K N 0.410 120.747 120.400 -0.105 0.000 2.001 108 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 108 K C 2.273 178.794 176.600 -0.132 0.000 1.048 108 K CA 1.599 57.820 56.287 -0.109 0.000 0.932 108 K CB -1.278 31.187 32.500 -0.058 0.000 0.715 108 K HN -0.044 nan 8.250 nan 0.000 0.437 109 A N 0.387 123.151 122.820 -0.094 0.000 1.849 109 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 109 A C 2.318 179.829 177.584 -0.123 0.000 1.202 109 A CA 2.353 54.346 52.037 -0.074 0.000 0.629 109 A CB -1.238 17.743 19.000 -0.032 0.000 0.834 109 A HN 0.138 nan 8.150 nan 0.000 0.447 110 V N 0.274 120.089 119.914 -0.165 0.000 2.277 110 V HA -0.378 3.742 4.120 -0.000 0.000 0.253 110 V C 2.590 178.432 176.094 -0.420 0.000 1.067 110 V CA 2.759 64.903 62.300 -0.259 0.000 1.047 110 V CB -0.905 30.744 31.823 -0.290 0.000 0.649 110 V HN 0.827 nan 8.190 nan 0.000 0.447 111 E N -0.016 119.854 120.200 -0.550 0.000 2.031 111 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 111 E C 2.242 178.707 176.600 -0.224 0.000 0.994 111 E CA 1.498 57.550 56.400 -0.579 0.000 0.800 111 E CB -0.198 29.175 29.700 -0.544 0.000 0.752 111 E HN 0.585 nan 8.360 nan 0.000 0.447 112 L N 0.777 121.910 121.223 -0.150 0.000 1.997 112 L HA -0.287 4.053 4.340 -0.000 0.000 0.216 112 L C 2.715 179.565 176.870 -0.033 0.000 1.074 112 L CA 1.332 56.132 54.840 -0.065 0.000 0.763 112 L CB -0.870 41.157 42.059 -0.052 0.000 0.890 112 L HN 0.283 nan 8.230 nan 0.000 0.434 113 L N -0.156 121.046 121.223 -0.034 0.000 1.957 113 L HA -0.333 4.007 4.340 -0.000 0.000 0.228 113 L C 2.948 179.868 176.870 0.082 0.000 1.086 113 L CA 1.654 56.513 54.840 0.033 0.000 0.796 113 L CB -1.075 41.022 42.059 0.063 0.000 0.900 113 L HN 0.326 nan 8.230 nan 0.000 0.439 114 A N -0.007 122.872 122.820 0.099 0.000 1.909 114 A HA -0.391 3.929 4.320 -0.000 0.000 0.221 114 A C 1.957 179.648 177.584 0.177 0.000 1.223 114 A CA 2.604 54.822 52.037 0.302 0.000 0.658 114 A CB -1.127 17.888 19.000 0.025 0.000 0.831 114 A HN 0.594 nan 8.150 nan 0.000 0.462 115 D N -0.826 119.620 120.400 0.076 0.000 2.271 115 D HA -0.116 4.524 4.640 -0.000 0.000 0.207 115 D C 1.580 177.905 176.300 0.042 0.000 0.983 115 D CA 1.376 55.410 54.000 0.058 0.000 0.878 115 D CB -0.157 40.662 40.800 0.032 0.000 0.920 115 D HN 0.603 nan 8.370 nan 0.000 0.479 116 I N -0.508 120.081 120.570 0.031 0.000 2.512 116 I HA -0.103 4.067 4.170 -0.000 0.000 0.247 116 I C 2.148 178.241 176.117 -0.039 0.000 1.094 116 I CA 0.489 61.778 61.300 -0.019 0.000 1.427 116 I CB -0.286 37.682 38.000 -0.053 0.000 1.149 116 I HN -0.044 nan 8.210 nan 0.000 0.438 117 V N -1.608 118.303 119.914 -0.005 0.000 3.488 117 V HA -0.084 4.036 4.120 -0.000 0.000 0.273 117 V C 1.386 177.566 176.094 0.144 0.000 1.209 117 V CA 1.274 63.643 62.300 0.115 0.000 1.179 117 V CB -0.846 31.008 31.823 0.051 0.000 0.842 117 V HN 0.521 nan 8.190 nan 0.000 0.515 118 Q N -0.556 119.289 119.800 0.075 0.000 2.279 118 Q HA 0.314 4.654 4.340 -0.000 0.000 0.261 118 Q C 0.389 176.399 176.000 0.016 0.000 0.796 118 Q CA 0.127 55.964 55.803 0.056 0.000 0.971 118 Q CB 0.629 29.429 28.738 0.104 0.000 1.179 118 Q HN 0.592 nan 8.270 nan 0.000 0.505 119 N N 0.392 119.098 118.700 0.011 0.000 2.622 119 N HA 0.189 4.929 4.740 -0.000 0.000 0.304 119 N C -1.251 174.253 175.510 -0.011 0.000 1.844 119 N CA -0.032 53.017 53.050 -0.001 0.000 0.886 119 N CB 0.993 39.489 38.487 0.015 0.000 1.366 119 N HN 0.106 nan 8.380 nan 0.000 0.491 120 C N 0.871 120.152 119.300 -0.032 0.000 2.634 120 C HA 0.176 4.636 4.460 -0.000 0.000 0.418 120 C C 2.489 177.469 174.990 -0.016 0.000 1.373 120 C CA 0.118 59.120 59.018 -0.027 0.000 1.756 120 C CB -0.351 27.358 27.740 -0.051 0.000 2.589 120 C HN 0.664 nan 8.230 nan 0.000 0.602 121 S N 2.984 118.684 115.700 -0.001 0.000 2.372 121 S HA -0.145 4.324 4.470 -0.000 0.000 0.227 121 S C 1.243 175.842 174.600 -0.001 0.000 1.044 121 S CA 1.723 59.925 58.200 0.002 0.000 1.050 121 S CB -0.613 nan 63.200 nan 0.000 0.901 121 S HN 0.964 nan 8.310 nan 0.000 0.447 122 L N 0.002 121.227 121.223 0.004 0.000 3.678 122 L HA -0.156 4.184 4.340 -0.000 0.000 0.425 122 L C -0.012 176.864 176.870 0.009 0.000 1.240 122 L CA -0.118 54.726 54.840 0.007 0.000 0.876 122 L CB -1.673 40.378 42.059 -0.014 0.000 1.766 122 L HN 0.505 nan 8.230 nan 0.000 0.917 123 E N 0.771 120.981 120.200 0.017 0.000 2.498 123 E HA -0.052 4.298 4.350 -0.000 0.000 0.252 123 E C 0.997 177.608 176.600 0.019 0.000 1.025 123 E CA 0.508 56.917 56.400 0.014 0.000 0.938 123 E CB 0.742 30.452 29.700 0.017 0.000 0.947 123 E HN 0.273 nan 8.360 nan 0.000 0.478 124 D N 2.273 122.678 120.400 0.008 0.000 2.280 124 D HA -0.211 4.429 4.640 -0.000 0.000 0.206 124 D C 1.327 177.638 176.300 0.018 0.000 0.988 124 D CA 1.803 55.807 54.000 0.007 0.000 0.886 124 D CB 0.266 41.064 40.800 -0.003 0.000 0.914 124 D HN 0.446 nan 8.370 nan 0.000 0.473 125 S N -1.508 114.203 115.700 0.018 0.000 2.439 125 S HA -0.075 4.395 4.470 -0.000 0.000 0.224 125 S C 1.913 176.529 174.600 0.027 0.000 1.029 125 S CA 0.327 58.539 58.200 0.019 0.000 0.946 125 S CB -0.107 63.100 63.200 0.012 0.000 0.797 125 S HN 0.152 nan 8.310 nan 0.000 0.504 126 Q N 1.793 121.612 119.800 0.032 0.000 2.033 126 Q HA 0.186 4.526 4.340 -0.000 0.000 0.196 126 Q C 1.874 177.912 176.000 0.064 0.000 0.970 126 Q CA 1.417 57.241 55.803 0.035 0.000 0.828 126 Q CB -0.719 28.039 28.738 0.033 0.000 0.895 126 Q HN 0.617 nan 8.270 nan 0.000 0.440 127 I N 0.805 121.439 120.570 0.105 0.000 2.065 127 I HA -0.372 3.798 4.170 -0.000 0.000 0.236 127 I C 2.279 178.535 176.117 0.231 0.000 1.028 127 I CA 1.929 63.366 61.300 0.228 0.000 1.299 127 I CB -0.587 37.513 38.000 0.166 0.000 1.015 127 I HN 0.346 nan 8.210 nan 0.000 0.396 128 E N 1.288 121.576 120.200 0.147 0.000 2.279 128 E HA -0.307 4.043 4.350 -0.000 0.000 0.205 128 E C 2.007 178.655 176.600 0.079 0.000 1.028 128 E CA 2.680 59.150 56.400 0.117 0.000 0.830 128 E CB -0.203 29.534 29.700 0.061 0.000 0.736 128 E HN 0.459 nan 8.360 nan 0.000 0.478 129 K N 0.699 121.125 120.400 0.044 0.000 2.005 129 K HA -0.006 4.314 4.320 -0.000 0.000 0.206 129 K C 2.043 178.606 176.600 -0.062 0.000 1.044 129 K CA 1.350 57.632 56.287 -0.007 0.000 0.942 129 K CB -0.929 31.562 32.500 -0.016 0.000 0.727 129 K HN 0.155 nan 8.250 nan 0.000 0.439 130 E N 0.288 120.428 120.200 -0.099 0.000 2.209 130 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 130 E C 2.097 178.480 176.600 -0.361 0.000 0.993 130 E CA 0.933 57.173 56.400 -0.266 0.000 0.819 130 E CB -0.211 29.306 29.700 -0.304 0.000 0.745 130 E HN 0.546 nan 8.360 nan 0.000 0.477 131 R N 0.961 121.343 120.500 -0.197 0.000 2.096 131 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 131 R C 1.325 177.582 176.300 -0.072 0.000 1.139 131 R CA 1.828 57.880 56.100 -0.079 0.000 0.952 131 R CB -0.000 30.470 30.300 0.284 0.000 0.854 131 R HN 0.082 nan 8.270 nan 0.000 0.436 132 D N -0.270 120.102 120.400 -0.047 0.000 2.317 132 D HA -0.054 4.586 4.640 -0.000 0.000 0.211 132 D C 1.812 178.064 176.300 -0.080 0.000 0.966 132 D CA 0.528 54.504 54.000 -0.040 0.000 0.876 132 D CB 0.324 41.113 40.800 -0.019 0.000 0.927 132 D HN 0.140 nan 8.370 nan 0.000 0.519 133 V N 1.182 121.009 119.914 -0.145 0.000 2.488 133 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 133 V C 2.440 178.425 176.094 -0.181 0.000 1.046 133 V CA 0.879 63.067 62.300 -0.186 0.000 1.053 133 V CB -0.112 31.534 31.823 -0.294 0.000 0.679 133 V HN 0.147 nan 8.190 nan 0.000 0.458 134 I N -0.392 120.061 120.570 -0.195 0.000 2.162 134 I HA -0.162 4.008 4.170 -0.000 0.000 0.238 134 I C 2.404 178.521 176.117 0.001 0.000 1.076 134 I CA 1.092 62.356 61.300 -0.060 0.000 1.353 134 I CB -0.622 37.347 38.000 -0.051 0.000 1.063 134 I HN 0.088 nan 8.210 nan 0.000 0.408 135 V N 1.232 121.139 119.914 -0.012 0.000 2.511 135 V HA -0.332 3.788 4.120 -0.000 0.000 0.257 135 V C 2.613 178.709 176.094 0.004 0.000 1.088 135 V CA 2.158 64.464 62.300 0.011 0.000 1.098 135 V CB -0.891 30.941 31.823 0.015 0.000 0.674 135 V HN 0.408 nan 8.190 nan 0.000 0.470 136 R N 0.409 120.902 120.500 -0.012 0.000 2.055 136 R HA -0.041 4.299 4.340 -0.000 0.000 0.221 136 R C 2.304 178.604 176.300 -0.001 0.000 1.154 136 R CA 1.748 57.842 56.100 -0.011 0.000 0.975 136 R CB -0.702 29.582 30.300 -0.027 0.000 0.869 136 R HN 0.550 nan 8.270 nan 0.000 0.437 137 E N -0.163 120.037 120.200 -0.000 0.000 2.171 137 E HA -0.223 4.127 4.350 -0.000 0.000 0.197 137 E C 1.629 178.260 176.600 0.051 0.000 0.997 137 E CA 1.297 57.717 56.400 0.033 0.000 0.810 137 E CB -0.075 29.665 29.700 0.066 0.000 0.738 137 E HN 0.239 nan 8.360 nan 0.000 0.467 138 L N 0.831 122.083 121.223 0.048 0.000 2.109 138 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 138 L C 2.306 179.178 176.870 0.002 0.000 1.086 138 L CA 1.634 56.489 54.840 0.025 0.000 0.760 138 L CB -0.214 41.860 42.059 0.026 0.000 0.910 138 L HN 0.107 nan 8.230 nan 0.000 0.437 139 Q N -0.967 118.837 119.800 0.007 0.000 2.482 139 Q HA -0.088 4.252 4.340 -0.000 0.000 0.209 139 Q C 1.652 177.654 176.000 0.003 0.000 0.961 139 Q CA 1.037 56.842 55.803 0.003 0.000 0.945 139 Q CB 0.255 28.996 28.738 0.006 0.000 1.012 139 Q HN 0.698 nan 8.270 nan 0.000 0.515 140 E N 0.185 120.387 120.200 0.004 0.000 2.206 140 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 140 E C 1.436 178.034 176.600 -0.003 0.000 0.935 140 E CA 0.437 56.840 56.400 0.005 0.000 0.875 140 E CB -0.515 29.191 29.700 0.010 0.000 0.841 140 E HN 0.372 nan 8.360 nan 0.000 0.477 141 N N 1.219 119.914 118.700 -0.009 0.000 2.205 141 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 141 N C 1.427 176.908 175.510 -0.048 0.000 1.015 141 N CA 1.593 54.624 53.050 -0.033 0.000 0.862 141 N CB -0.163 38.293 38.487 -0.052 0.000 0.986 141 N HN 0.446 nan 8.380 nan 0.000 0.429 142 D N 0.531 120.908 120.400 -0.038 0.000 2.088 142 D HA -0.112 4.528 4.640 -0.000 0.000 0.191 142 D C 1.669 177.956 176.300 -0.021 0.000 0.992 142 D CA 1.905 55.881 54.000 -0.040 0.000 0.831 142 D CB -0.471 40.317 40.800 -0.020 0.000 0.973 142 D HN 0.345 nan 8.370 nan 0.000 0.447 143 T N -1.971 112.583 114.554 0.001 0.000 3.139 143 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 143 T C 1.214 175.931 174.700 0.028 0.000 1.164 143 T CA 0.657 62.769 62.100 0.021 0.000 1.075 143 T CB -0.464 68.420 68.868 0.027 0.000 0.904 143 T HN 0.014 nan 8.240 nan 0.000 0.540 144 S N 1.902 117.604 115.700 0.003 0.000 4.139 144 S HA 0.216 4.686 4.470 -0.000 0.000 0.215 144 S C 1.438 176.031 174.600 -0.012 0.000 1.390 144 S CA -0.792 57.409 58.200 0.003 0.000 0.885 144 S CB -0.735 62.448 63.200 -0.028 0.000 1.560 144 S HN 0.263 nan 8.310 nan 0.000 0.449 145 M N 1.799 121.433 119.600 0.055 0.000 2.507 145 M HA -0.118 4.362 4.480 -0.000 0.000 0.258 145 M C 1.828 178.024 176.300 -0.174 0.000 1.081 145 M CA 1.208 56.553 55.300 0.075 0.000 1.039 145 M CB -1.252 31.555 32.600 0.345 0.000 1.386 145 M HN 0.582 nan 8.290 nan 0.000 0.459 146 R N -0.081 120.290 120.500 -0.215 0.000 2.153 146 R HA -0.065 4.275 4.340 -0.000 0.000 0.218 146 R C 1.897 178.051 176.300 -0.243 0.000 1.072 146 R CA 0.764 56.677 56.100 -0.312 0.000 0.990 146 R CB 0.362 30.608 30.300 -0.089 0.000 0.889 146 R HN 0.279 nan 8.270 nan 0.000 0.452 147 E N -0.396 119.696 120.200 -0.181 0.000 2.162 147 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 147 E C 1.938 178.436 176.600 -0.170 0.000 0.953 147 E CA 0.800 57.095 56.400 -0.175 0.000 0.849 147 E CB -0.347 29.249 29.700 -0.173 0.000 0.810 147 E HN 0.156 nan 8.360 nan 0.000 0.470 148 V N 1.409 121.196 119.914 -0.211 0.000 2.282 148 V HA -0.225 3.895 4.120 -0.000 0.000 0.249 148 V C 2.323 178.189 176.094 -0.380 0.000 1.057 148 V CA 2.298 64.374 62.300 -0.374 0.000 1.032 148 V CB -0.587 31.014 31.823 -0.370 0.000 0.645 148 V HN 0.133 nan 8.190 nan 0.000 0.447 149 V N -0.211 119.594 119.914 -0.182 0.000 2.252 149 V HA -0.297 3.823 4.120 -0.000 0.000 0.249 149 V C 2.264 178.303 176.094 -0.091 0.000 1.056 149 V CA 3.118 65.371 62.300 -0.080 0.000 1.022 149 V CB -0.791 30.945 31.823 -0.146 0.000 0.641 149 V HN 0.608 nan 8.190 nan 0.000 0.445 150 F N 1.139 120.924 119.950 -0.275 0.000 2.126 150 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 150 F C 2.445 178.237 175.800 -0.014 0.000 1.096 150 F CA 2.323 60.222 58.000 -0.167 0.000 1.255 150 F CB -0.759 38.092 39.000 -0.249 0.000 0.997 150 F HN 0.289 nan 8.300 nan 0.000 0.479 151 N N -0.429 118.304 118.700 0.056 0.000 2.025 151 N HA -0.245 4.495 4.740 -0.000 0.000 0.194 151 N C 1.868 177.458 175.510 0.134 0.000 1.044 151 N CA 1.710 54.761 53.050 0.003 0.000 0.851 151 N CB -1.006 37.384 38.487 -0.161 0.000 1.036 151 N HN 0.204 nan 8.380 nan 0.000 0.422 152 Y N 1.811 122.133 120.300 0.036 0.000 2.181 152 Y HA -0.123 4.427 4.550 -0.000 0.000 0.284 152 Y C 2.467 178.381 175.900 0.023 0.000 1.179 152 Y CA 0.254 58.365 58.100 0.019 0.000 1.179 152 Y CB -1.035 37.421 38.460 -0.007 0.000 0.973 152 Y HN 0.099 nan 8.280 nan 0.000 0.519 153 L N -0.906 120.425 121.223 0.180 0.000 1.955 153 L HA -0.316 4.024 4.340 -0.000 0.000 0.213 153 L C 2.353 179.306 176.870 0.138 0.000 1.072 153 L CA 1.882 56.770 54.840 0.079 0.000 0.755 153 L CB -0.516 41.519 42.059 -0.042 0.000 0.888 153 L HN 0.184 nan 8.230 nan 0.000 0.432 154 H N -0.084 119.075 119.070 0.149 0.000 2.321 154 H HA -0.214 4.342 4.556 -0.000 0.000 0.295 154 H C 2.203 177.649 175.328 0.198 0.000 1.102 154 H CA 1.847 58.052 56.048 0.262 0.000 1.266 154 H CB -0.640 29.272 29.762 0.249 0.000 1.363 154 H HN 0.587 nan 8.280 nan 0.000 0.492 155 A N -0.486 122.496 122.820 0.270 0.000 1.863 155 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 155 A C 2.559 180.189 177.584 0.077 0.000 1.233 155 A CA 3.022 55.160 52.037 0.169 0.000 0.655 155 A CB -1.474 17.634 19.000 0.179 0.000 0.839 155 A HN 0.536 nan 8.150 nan 0.000 0.454 156 T N -1.222 113.341 114.554 0.015 0.000 2.821 156 T HA 0.089 4.439 4.350 -0.000 0.000 0.267 156 T C 1.978 176.546 174.700 -0.220 0.000 1.046 156 T CA 1.946 63.989 62.100 -0.095 0.000 1.139 156 T CB -0.561 68.240 68.868 -0.112 0.000 0.871 156 T HN 0.651 nan 8.240 nan 0.000 0.454 157 A N 0.543 123.213 122.820 -0.251 0.000 1.865 157 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 157 A C 1.261 178.394 177.584 -0.753 0.000 1.191 157 A CA 1.372 53.052 52.037 -0.595 0.000 0.623 157 A CB -0.710 18.029 19.000 -0.436 0.000 0.826 157 A HN 0.596 nan 8.150 nan 0.000 0.444 158 F N 0.729 120.623 119.950 -0.094 0.000 2.923 158 F HA 0.222 4.749 4.527 -0.000 0.000 0.314 158 F C 0.685 176.456 175.800 -0.049 0.000 1.196 158 F CA -0.655 57.318 58.000 -0.045 0.000 1.320 158 F CB -0.179 38.822 39.000 0.002 0.000 0.953 158 F HN 0.380 nan 8.300 nan 0.000 0.505 159 Q N -0.110 119.695 119.800 0.008 0.000 2.304 159 Q HA 0.293 4.633 4.340 -0.000 0.000 0.301 159 Q C 1.141 177.152 176.000 0.018 0.000 1.063 159 Q CA 0.788 56.592 55.803 0.001 0.000 0.947 159 Q CB 0.588 29.286 28.738 -0.067 0.000 1.201 159 Q HN 0.603 nan 8.270 nan 0.000 0.389 160 G N 1.768 110.582 108.800 0.024 0.000 2.162 160 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.260 160 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.260 160 G C 0.164 175.085 174.900 0.034 0.000 0.976 160 G CA 0.501 45.613 45.100 0.021 0.000 0.655 160 G HN 1.247 nan 8.290 nan 0.000 0.533 161 T N -4.040 110.546 114.554 0.054 0.000 2.907 161 T HA 0.679 5.028 4.350 -0.000 0.000 0.290 161 T C 1.635 176.344 174.700 0.016 0.000 1.066 161 T CA 0.308 62.434 62.100 0.043 0.000 1.012 161 T CB 1.495 70.406 68.868 0.072 0.000 1.184 161 T HN 1.206 nan 8.240 nan 0.000 0.522 162 G N 0.093 108.880 108.800 -0.021 0.000 2.475 162 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.220 162 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.220 162 G C 1.315 176.167 174.900 -0.080 0.000 1.125 162 G CA 0.765 45.837 45.100 -0.048 0.000 0.755 162 G HN 0.696 nan 8.290 nan 0.000 0.565 163 L N 0.493 121.630 121.223 -0.142 0.000 2.093 163 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 163 L C 3.384 180.245 176.870 -0.016 0.000 1.085 163 L CA 0.821 55.529 54.840 -0.221 0.000 0.755 163 L CB -0.377 41.299 42.059 -0.638 0.000 0.904 163 L HN 0.312 nan 8.230 nan 0.000 0.435 164 A N -0.646 122.224 122.820 0.082 0.000 2.032 164 A HA -0.203 4.116 4.320 -0.000 0.000 0.221 164 A C 1.204 178.839 177.584 0.084 0.000 1.165 164 A CA 1.012 53.131 52.037 0.138 0.000 0.645 164 A CB -0.519 18.550 19.000 0.114 0.000 0.807 164 A HN 0.447 nan 8.150 nan 0.000 0.453 165 Q N 0.891 120.711 119.800 0.033 0.000 2.332 165 Q HA 0.348 4.688 4.340 -0.000 0.000 0.263 165 Q C 0.397 176.385 176.000 -0.019 0.000 0.979 165 Q CA 0.093 55.902 55.803 0.009 0.000 0.885 165 Q CB 0.817 29.554 28.738 -0.001 0.000 1.218 165 Q HN 0.555 nan 8.270 nan 0.000 0.405 166 S N 0.803 116.480 115.700 -0.037 0.000 2.580 166 S HA 0.097 4.567 4.470 -0.000 0.000 0.274 166 S C 1.054 175.581 174.600 -0.122 0.000 1.329 166 S CA -0.865 57.281 58.200 -0.090 0.000 1.036 166 S CB 1.101 64.239 63.200 -0.104 0.000 0.919 166 S HN 0.477 nan 8.310 nan 0.000 0.515 167 V N 2.404 122.222 119.914 -0.161 0.000 2.568 167 V HA -0.150 3.970 4.120 -0.000 0.000 0.253 167 V C 2.476 178.383 176.094 -0.312 0.000 1.072 167 V CA 2.137 64.329 62.300 -0.180 0.000 1.084 167 V CB -1.063 30.660 31.823 -0.166 0.000 0.676 167 V HN 0.923 nan 8.190 nan 0.000 0.469 168 E N 0.493 120.441 120.200 -0.421 0.000 2.102 168 E HA 0.281 4.631 4.350 -0.000 0.000 0.190 168 E C 1.326 177.807 176.600 -0.199 0.000 0.971 168 E CA 0.995 57.047 56.400 -0.581 0.000 0.821 168 E CB -0.217 29.108 29.700 -0.625 0.000 0.777 168 E HN 0.616 nan 8.360 nan 0.000 0.460 169 G N 2.837 111.559 108.800 -0.130 0.000 2.662 169 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.686 169 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.686 169 G C -2.735 172.156 174.900 -0.015 0.000 1.271 169 G CA -0.487 44.585 45.100 -0.046 0.000 0.816 169 G HN 0.061 nan 8.290 nan 0.000 0.608 170 P HA 0.195 nan 4.420 nan 0.000 0.269 170 P C 1.290 178.610 177.300 0.034 0.000 1.215 170 P CA 0.563 63.674 63.100 0.017 0.000 0.780 170 P CB 1.152 32.865 31.700 0.020 0.000 0.898 171 S N 0.699 116.418 115.700 0.033 0.000 2.399 171 S HA -0.202 4.268 4.470 -0.000 0.000 0.231 171 S C 1.791 176.421 174.600 0.050 0.000 1.022 171 S CA 1.215 59.441 58.200 0.043 0.000 0.983 171 S CB -0.750 62.471 63.200 0.033 0.000 0.803 171 S HN 0.445 nan 8.310 nan 0.000 0.480 172 E N 2.201 122.424 120.200 0.039 0.000 2.023 172 E HA -0.129 4.221 4.350 -0.000 0.000 0.196 172 E C 1.922 178.548 176.600 0.044 0.000 1.003 172 E CA 1.750 58.171 56.400 0.036 0.000 0.809 172 E CB -0.604 29.112 29.700 0.026 0.000 0.755 172 E HN 0.581 nan 8.360 nan 0.000 0.449 173 N N -0.052 118.674 118.700 0.043 0.000 2.037 173 N HA -0.176 4.564 4.740 -0.000 0.000 0.196 173 N C 1.846 177.407 175.510 0.085 0.000 1.034 173 N CA 1.637 54.714 53.050 0.046 0.000 0.861 173 N CB -0.298 38.214 38.487 0.041 0.000 1.039 173 N HN 0.214 nan 8.380 nan 0.000 0.427 174 I N 0.496 121.148 120.570 0.137 0.000 2.226 174 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 174 I C 2.011 178.267 176.117 0.232 0.000 1.100 174 I CA 1.010 62.464 61.300 0.256 0.000 1.374 174 I CB -0.172 37.958 38.000 0.216 0.000 1.057 174 I HN 0.156 nan 8.210 nan 0.000 0.413 175 R N 0.798 121.376 120.500 0.130 0.000 2.193 175 R HA -0.136 4.204 4.340 -0.000 0.000 0.229 175 R C 1.401 177.746 176.300 0.075 0.000 1.110 175 R CA 1.051 57.210 56.100 0.100 0.000 0.988 175 R CB -0.037 30.299 30.300 0.061 0.000 0.871 175 R HN 0.410 nan 8.270 nan 0.000 0.458 176 K N -0.446 119.984 120.400 0.050 0.000 2.477 176 K HA 0.219 4.539 4.320 -0.000 0.000 0.208 176 K C -0.168 176.400 176.600 -0.054 0.000 1.117 176 K CA -0.234 56.055 56.287 0.003 0.000 1.039 176 K CB 0.816 33.318 32.500 0.003 0.000 0.937 176 K HN -0.017 nan 8.250 nan 0.000 0.570 177 L N 2.375 123.539 121.223 -0.099 0.000 2.543 177 L HA -0.007 4.333 4.340 -0.000 0.000 0.285 177 L C 0.184 176.896 176.870 -0.263 0.000 1.236 177 L CA 0.377 55.093 54.840 -0.207 0.000 0.871 177 L CB 0.521 42.376 42.059 -0.340 0.000 1.121 177 L HN 0.071 nan 8.230 nan 0.000 0.501 178 S N 2.643 118.227 115.700 -0.194 0.000 2.578 178 S HA 0.238 4.708 4.470 -0.000 0.000 0.283 178 S C 0.983 175.474 174.600 -0.180 0.000 1.195 178 S CA -0.812 57.292 58.200 -0.160 0.000 1.050 178 S CB 1.844 64.989 63.200 -0.092 0.000 1.012 178 S HN 0.562 nan 8.310 nan 0.000 0.511 179 R N 1.782 122.196 120.500 -0.144 0.000 2.174 179 R HA -0.232 4.108 4.340 -0.000 0.000 0.253 179 R C 1.873 178.116 176.300 -0.094 0.000 1.165 179 R CA 2.090 58.121 56.100 -0.115 0.000 0.984 179 R CB -1.197 29.062 30.300 -0.067 0.000 0.873 179 R HN 0.776 nan 8.270 nan 0.000 0.456 180 A N 0.987 123.759 122.820 -0.081 0.000 1.832 180 A HA -0.179 4.141 4.320 -0.000 0.000 0.214 180 A C 1.772 179.322 177.584 -0.055 0.000 1.200 180 A CA 1.850 53.852 52.037 -0.059 0.000 0.610 180 A CB -0.847 18.125 19.000 -0.048 0.000 0.842 180 A HN 0.415 nan 8.150 nan 0.000 0.444 181 D N 0.226 120.588 120.400 -0.064 0.000 2.200 181 D HA -0.212 4.428 4.640 -0.000 0.000 0.192 181 D C 1.760 178.051 176.300 -0.014 0.000 1.008 181 D CA 1.441 55.417 54.000 -0.040 0.000 0.872 181 D CB -0.245 40.511 40.800 -0.073 0.000 0.923 181 D HN 0.264 nan 8.370 nan 0.000 0.447 182 L N 0.164 121.345 121.223 -0.069 0.000 1.994 182 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 182 L C 2.901 179.777 176.870 0.011 0.000 1.071 182 L CA 2.345 57.169 54.840 -0.028 0.000 0.745 182 L CB -2.067 39.940 42.059 -0.087 0.000 0.892 182 L HN 0.273 nan 8.230 nan 0.000 0.431 183 T N -0.990 113.545 114.554 -0.032 0.000 2.684 183 T HA -0.278 4.072 4.350 -0.000 0.000 0.267 183 T C 1.905 176.582 174.700 -0.038 0.000 1.036 183 T CA 1.889 63.960 62.100 -0.049 0.000 1.148 183 T CB -0.371 68.467 68.868 -0.051 0.000 0.863 183 T HN 0.317 nan 8.240 nan 0.000 0.436 184 E N -0.863 119.332 120.200 -0.008 0.000 2.085 184 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 184 E C 1.924 178.556 176.600 0.054 0.000 0.994 184 E CA 1.278 57.682 56.400 0.007 0.000 0.801 184 E CB -0.251 29.462 29.700 0.021 0.000 0.743 184 E HN 0.785 nan 8.360 nan 0.000 0.453 185 Y N 0.753 121.049 120.300 -0.007 0.000 2.200 185 Y HA -0.124 4.426 4.550 -0.000 0.000 0.290 185 Y C 1.865 177.795 175.900 0.049 0.000 1.137 185 Y CA 1.313 59.465 58.100 0.087 0.000 1.163 185 Y CB -0.187 38.299 38.460 0.045 0.000 0.988 185 Y HN 0.022 nan 8.280 nan 0.000 0.518 186 L N -0.283 120.820 121.223 -0.201 0.000 1.976 186 L HA -0.216 4.124 4.340 -0.000 0.000 0.209 186 L C 2.809 179.470 176.870 -0.348 0.000 1.071 186 L CA 1.755 56.297 54.840 -0.497 0.000 0.746 186 L CB -1.120 40.690 42.059 -0.415 0.000 0.890 186 L HN 0.398 nan 8.230 nan 0.000 0.432 187 S N -1.449 114.128 115.700 -0.205 0.000 2.547 187 S HA -0.107 4.363 4.470 -0.000 0.000 0.235 187 S C 1.865 176.365 174.600 -0.167 0.000 0.980 187 S CA 1.696 59.808 58.200 -0.147 0.000 0.941 187 S CB -0.421 62.714 63.200 -0.108 0.000 0.763 187 S HN 0.383 nan 8.310 nan 0.000 0.532 188 T N -0.291 114.120 114.554 -0.239 0.000 3.039 188 T HA 0.133 4.483 4.350 -0.000 0.000 0.250 188 T C 1.199 175.578 174.700 -0.534 0.000 1.052 188 T CA 0.861 62.731 62.100 -0.384 0.000 1.125 188 T CB -0.099 68.476 68.868 -0.487 0.000 0.908 188 T HN 0.733 nan 8.240 nan 0.000 0.473 189 H N -1.280 117.642 119.070 -0.247 0.000 2.855 189 H HA 0.292 4.848 4.556 -0.000 0.000 0.259 189 H C -0.051 175.251 175.328 -0.044 0.000 0.972 189 H CA -0.032 55.887 56.048 -0.214 0.000 1.213 189 H CB 0.195 29.713 29.762 -0.405 0.000 1.451 189 H HN 0.154 nan 8.280 nan 0.000 0.484 190 Y N 2.941 123.132 120.300 -0.182 0.000 2.971 190 Y HA 0.136 4.686 4.550 -0.000 0.000 0.384 190 Y C 0.577 176.386 175.900 -0.152 0.000 1.166 190 Y CA -0.734 57.271 58.100 -0.159 0.000 1.973 190 Y CB -1.094 37.276 38.460 -0.150 0.000 2.082 190 Y HN 0.071 nan 8.280 nan 0.000 0.420 191 T N -3.612 110.923 114.554 -0.033 0.000 2.824 191 T HA 0.626 4.976 4.350 -0.000 0.000 0.280 191 T C 1.412 176.046 174.700 -0.110 0.000 0.995 191 T CA -0.357 61.700 62.100 -0.071 0.000 1.009 191 T CB 1.944 70.775 68.868 -0.062 0.000 0.955 191 T HN 0.320 nan 8.240 nan 0.000 0.452 192 A N 4.721 127.460 122.820 -0.135 0.000 1.944 192 A HA -0.125 4.195 4.320 -0.000 0.000 0.222 192 A C 0.301 177.824 177.584 -0.100 0.000 1.237 192 A CA 2.133 54.077 52.037 -0.156 0.000 0.668 192 A CB -2.077 16.847 19.000 -0.126 0.000 0.830 192 A HN 0.843 nan 8.150 nan 0.000 0.471 193 P HA -0.192 nan 4.420 nan 0.000 0.216 193 P C 0.992 178.269 177.300 -0.039 0.000 1.150 193 P CA 1.613 64.691 63.100 -0.036 0.000 0.843 193 P CB -0.225 31.464 31.700 -0.019 0.000 0.787 194 R N -1.701 118.763 120.500 -0.059 0.000 2.300 194 R HA 0.282 4.622 4.340 -0.000 0.000 0.199 194 R C 1.307 177.549 176.300 -0.095 0.000 0.920 194 R CA 0.104 56.166 56.100 -0.063 0.000 1.046 194 R CB -0.092 30.164 30.300 -0.073 0.000 0.984 194 R HN 0.303 nan 8.270 nan 0.000 0.493 195 M N 0.629 120.159 119.600 -0.117 0.000 2.528 195 M HA 0.383 4.863 4.480 -0.000 0.000 0.318 195 M C -0.601 175.660 176.300 -0.064 0.000 1.195 195 M CA -0.813 54.409 55.300 -0.130 0.000 1.000 195 M CB 2.340 34.807 32.600 -0.221 0.000 1.615 195 M HN -0.272 nan 8.290 nan 0.000 0.469 196 V N 2.795 122.714 119.914 0.008 0.000 2.686 196 V HA 0.413 4.533 4.120 -0.000 0.000 0.306 196 V C -1.013 175.189 176.094 0.180 0.000 1.065 196 V CA -0.795 61.545 62.300 0.068 0.000 0.894 196 V CB 2.561 34.409 31.823 0.041 0.000 1.004 196 V HN 0.623 nan 8.190 nan 0.000 0.424 197 L N 4.722 126.053 121.223 0.181 0.000 2.277 197 L HA 0.860 5.200 4.340 -0.000 0.000 0.284 197 L C 0.039 177.028 176.870 0.198 0.000 1.028 197 L CA 0.076 55.073 54.840 0.261 0.000 0.835 197 L CB 0.787 43.046 42.059 0.332 0.000 1.215 197 L HN 0.868 nan 8.230 nan 0.000 0.425 198 A N 4.389 127.342 122.820 0.221 0.000 2.354 198 A HA 1.007 5.327 4.320 -0.000 0.000 0.321 198 A C -0.851 176.812 177.584 0.130 0.000 1.125 198 A CA -0.046 52.053 52.037 0.104 0.000 0.799 198 A CB 1.861 20.828 19.000 -0.055 0.000 1.293 198 A HN 1.003 nan 8.150 nan 0.000 0.452 199 A N -0.676 122.178 122.820 0.055 0.000 2.601 199 A HA 0.948 5.268 4.320 -0.000 0.000 0.291 199 A C -0.799 176.790 177.584 0.008 0.000 1.075 199 A CA 0.012 52.083 52.037 0.057 0.000 0.671 199 A CB 0.937 19.978 19.000 0.068 0.000 1.277 199 A HN 2.650 nan 8.150 nan 0.000 0.417 200 A N -0.287 122.540 122.820 0.011 0.000 2.513 200 A HA 0.961 5.281 4.320 -0.000 0.000 0.296 200 A C 0.057 177.641 177.584 -0.001 0.000 1.052 200 A CA 0.550 52.582 52.037 -0.009 0.000 0.714 200 A CB 0.790 19.777 19.000 -0.022 0.000 1.279 200 A HN 2.845 nan 8.150 nan 0.000 0.397 201 G N 0.376 109.173 108.800 -0.005 0.000 2.491 201 G HA2 0.491 4.451 3.960 -0.000 0.000 0.183 201 G HA3 0.491 4.451 3.960 -0.000 0.000 0.183 201 G C 0.663 175.561 174.900 -0.002 0.000 1.221 201 G CA 0.336 45.434 45.100 -0.003 0.000 0.996 201 G HN 1.696 nan 8.290 nan 0.000 0.474 202 G N -0.207 108.593 108.800 -0.000 0.000 2.920 202 G HA2 0.400 4.359 3.960 -0.000 0.000 0.208 202 G HA3 0.400 4.359 3.960 -0.000 0.000 0.208 202 G C 0.742 175.646 174.900 0.006 0.000 1.159 202 G CA 1.045 46.146 45.100 0.001 0.000 0.784 202 G HN 1.035 nan 8.290 nan 0.000 0.535 203 V N 2.215 122.136 119.914 0.010 0.000 2.763 203 V HA 0.131 4.251 4.120 -0.000 0.000 0.306 203 V C 0.027 176.139 176.094 0.030 0.000 1.059 203 V CA -0.355 61.958 62.300 0.021 0.000 1.138 203 V CB 0.981 32.821 31.823 0.028 0.000 0.940 203 V HN 0.442 nan 8.190 nan 0.000 0.489 204 E N 3.774 123.999 120.200 0.041 0.000 2.175 204 E HA 0.236 4.586 4.350 -0.000 0.000 0.278 204 E C 0.770 177.438 176.600 0.112 0.000 0.969 204 E CA -0.716 55.720 56.400 0.060 0.000 0.796 204 E CB 1.091 30.816 29.700 0.041 0.000 1.104 204 E HN 0.731 nan 8.360 nan 0.000 0.395 205 H N 2.286 121.356 119.070 0.001 0.000 2.260 205 H HA -0.316 4.240 4.556 -0.000 0.000 0.288 205 H C 1.941 177.274 175.328 0.008 0.000 1.094 205 H CA 2.588 58.638 56.048 0.004 0.000 1.197 205 H CB 0.429 30.192 29.762 0.001 0.000 1.346 205 H HN 0.696 nan 8.280 nan 0.000 0.486 206 Q N 0.252 120.054 119.800 0.002 0.000 1.998 206 Q HA -0.271 4.068 4.340 -0.000 0.000 0.209 206 Q C 2.458 178.431 176.000 -0.045 0.000 1.002 206 Q CA 2.259 58.009 55.803 -0.088 0.000 0.858 206 Q CB -0.134 28.578 28.738 -0.043 0.000 0.932 206 Q HN 0.629 nan 8.270 nan 0.000 0.416 207 Q N -0.279 119.520 119.800 -0.002 0.000 2.217 207 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 207 Q C 2.133 178.138 176.000 0.009 0.000 0.988 207 Q CA 1.396 57.202 55.803 0.004 0.000 0.878 207 Q CB -0.157 28.588 28.738 0.012 0.000 0.909 207 Q HN 0.383 nan 8.270 nan 0.000 0.424 208 L N 0.388 121.628 121.223 0.028 0.000 1.993 208 L HA -0.152 4.187 4.340 -0.000 0.000 0.206 208 L C 1.995 178.878 176.870 0.021 0.000 1.074 208 L CA 1.494 56.362 54.840 0.047 0.000 0.746 208 L CB -0.791 41.343 42.059 0.126 0.000 0.896 208 L HN 0.175 nan 8.230 nan 0.000 0.435 209 L N -0.329 120.876 121.223 -0.031 0.000 1.997 209 L HA -0.353 3.987 4.340 -0.000 0.000 0.227 209 L C 2.537 179.396 176.870 -0.019 0.000 1.087 209 L CA 2.217 57.020 54.840 -0.063 0.000 0.797 209 L CB -1.062 40.871 42.059 -0.209 0.000 0.902 209 L HN 0.387 nan 8.230 nan 0.000 0.441 210 E N -0.042 120.139 120.200 -0.033 0.000 2.065 210 E HA -0.311 4.039 4.350 -0.000 0.000 0.201 210 E C 2.551 179.159 176.600 0.014 0.000 1.016 210 E CA 1.991 58.383 56.400 -0.013 0.000 0.818 210 E CB -0.603 29.086 29.700 -0.018 0.000 0.749 210 E HN 0.516 nan 8.360 nan 0.000 0.453 211 L N 1.051 122.289 121.223 0.026 0.000 2.043 211 L HA -0.104 4.235 4.340 -0.000 0.000 0.212 211 L C 2.605 179.526 176.870 0.084 0.000 1.075 211 L CA 2.649 57.534 54.840 0.074 0.000 0.752 211 L CB -1.940 40.128 42.059 0.014 0.000 0.891 211 L HN 0.334 nan 8.230 nan 0.000 0.432 212 A N -1.907 120.913 122.820 -0.001 0.000 1.872 212 A HA -0.204 4.116 4.320 -0.000 0.000 0.214 212 A C 2.287 179.901 177.584 0.051 0.000 1.187 212 A CA 1.376 53.373 52.037 -0.066 0.000 0.614 212 A CB -0.619 18.434 19.000 0.089 0.000 0.826 212 A HN 0.772 nan 8.150 nan 0.000 0.442 213 Q N -0.483 119.363 119.800 0.076 0.000 2.368 213 Q HA -0.200 4.140 4.340 -0.000 0.000 0.210 213 Q C 1.906 177.928 176.000 0.037 0.000 0.982 213 Q CA 1.849 57.696 55.803 0.073 0.000 0.884 213 Q CB -0.077 28.680 28.738 0.031 0.000 0.933 213 Q HN 0.706 nan 8.270 nan 0.000 0.460 214 K N -1.499 118.903 120.400 0.003 0.000 2.214 214 K HA -0.055 4.265 4.320 -0.000 0.000 0.201 214 K C 1.035 177.513 176.600 -0.202 0.000 1.049 214 K CA 0.785 57.010 56.287 -0.104 0.000 0.978 214 K CB 0.224 32.633 32.500 -0.150 0.000 0.842 214 K HN 0.291 nan 8.250 nan 0.000 0.474 215 H N -1.500 117.495 119.070 -0.125 0.000 2.563 215 H HA 0.138 4.694 4.556 -0.000 0.000 0.264 215 H C -0.378 174.920 175.328 -0.051 0.000 0.957 215 H CA 0.266 56.223 56.048 -0.152 0.000 1.173 215 H CB 0.390 29.982 29.762 -0.285 0.000 1.420 215 H HN 0.006 nan 8.280 nan 0.000 0.551 216 F N 0.958 120.972 119.950 0.106 0.000 2.611 216 F HA 0.353 4.880 4.527 -0.000 0.000 0.321 216 F C 1.294 177.114 175.800 0.033 0.000 1.208 216 F CA -1.230 56.808 58.000 0.063 0.000 1.249 216 F CB 0.180 39.213 39.000 0.056 0.000 1.514 216 F HN 0.056 nan 8.300 nan 0.000 0.561 217 G N 0.631 109.548 108.800 0.195 0.000 3.397 217 G HA2 0.269 4.229 3.960 -0.000 0.000 0.248 217 G HA3 0.269 4.229 3.960 -0.000 0.000 0.248 217 G C 0.881 175.834 174.900 0.088 0.000 1.284 217 G CA -0.160 45.001 45.100 0.102 0.000 1.570 217 G HN 0.598 nan 8.290 nan 0.000 0.587 218 G N -0.904 107.953 108.800 0.095 0.000 2.527 218 G HA2 0.423 4.383 3.960 -0.000 0.000 0.248 218 G HA3 0.423 4.383 3.960 -0.000 0.000 0.248 218 G C -0.769 174.158 174.900 0.044 0.000 1.231 218 G CA -0.228 44.909 45.100 0.062 0.000 0.838 218 G HN 0.644 nan 8.290 nan 0.000 0.570 219 V N 3.578 123.527 119.914 0.058 0.000 2.569 219 V HA 0.638 4.758 4.120 -0.000 0.000 0.301 219 V C -2.411 173.727 176.094 0.073 0.000 1.044 219 V CA -1.644 60.667 62.300 0.019 0.000 0.874 219 V CB 2.404 34.211 31.823 -0.027 0.000 1.002 219 V HN 0.715 nan 8.190 nan 0.000 0.424 220 P HA 0.538 nan 4.420 nan 0.000 0.297 220 P C -0.448 176.877 177.300 0.043 0.000 1.319 220 P CA -0.286 62.861 63.100 0.079 0.000 0.810 220 P CB 1.093 32.812 31.700 0.032 0.000 0.947 221 F N -0.204 119.744 119.950 -0.003 0.000 2.204 221 F HA 0.028 4.555 4.527 -0.000 0.000 0.276 221 F C 1.941 177.754 175.800 0.023 0.000 1.085 221 F CA 0.828 58.833 58.000 0.007 0.000 1.160 221 F CB -1.180 37.821 39.000 0.001 0.000 1.091 221 F HN 0.214 nan 8.300 nan 0.000 0.522 222 T N -1.161 113.541 114.554 0.246 0.000 2.681 222 T HA -0.049 4.301 4.350 -0.000 0.000 0.333 222 T C 0.736 175.523 174.700 0.144 0.000 1.049 222 T CA 0.371 62.566 62.100 0.158 0.000 1.002 222 T CB -0.038 68.860 68.868 0.050 0.000 1.161 222 T HN 0.426 nan 8.240 nan 0.000 0.519 223 Y N -0.887 119.441 120.300 0.046 0.000 2.503 223 Y HA 0.237 4.787 4.550 -0.000 0.000 0.278 223 Y C 1.797 177.715 175.900 0.029 0.000 1.111 223 Y CA 0.319 58.439 58.100 0.033 0.000 1.270 223 Y CB -0.728 37.747 38.460 0.026 0.000 1.063 223 Y HN 0.446 nan 8.280 nan 0.000 0.548 224 D N 1.670 121.651 120.400 -0.699 0.000 2.088 224 D HA -0.205 4.435 4.640 -0.000 0.000 0.191 224 D C 1.331 177.516 176.300 -0.191 0.000 0.992 224 D CA 1.899 55.584 54.000 -0.525 0.000 0.831 224 D CB -0.451 40.066 40.800 -0.472 0.000 0.973 224 D HN 0.373 nan 8.370 nan 0.000 0.447 225 D N 0.641 120.965 120.400 -0.127 0.000 2.192 225 D HA -0.209 4.431 4.640 -0.000 0.000 0.189 225 D C 1.601 177.887 176.300 -0.023 0.000 1.007 225 D CA 1.417 55.386 54.000 -0.051 0.000 0.859 225 D CB -0.579 40.224 40.800 0.004 0.000 0.936 225 D HN 0.240 nan 8.370 nan 0.000 0.447 226 D N -0.445 119.957 120.400 0.004 0.000 2.264 226 D HA 0.055 4.695 4.640 -0.000 0.000 0.208 226 D C 0.080 176.400 176.300 0.033 0.000 0.966 226 D CA 0.665 54.682 54.000 0.028 0.000 0.864 226 D CB 0.113 40.948 40.800 0.058 0.000 0.933 226 D HN 0.206 nan 8.370 nan 0.000 0.499 227 A N -0.278 122.560 122.820 0.029 0.000 2.294 227 A HA 0.567 4.887 4.320 -0.000 0.000 0.330 227 A C -0.850 176.750 177.584 0.026 0.000 1.133 227 A CA -0.648 51.417 52.037 0.047 0.000 0.836 227 A CB 1.699 20.754 19.000 0.093 0.000 1.190 227 A HN 0.073 nan 8.150 nan 0.000 0.492 228 V N 4.005 123.947 119.914 0.046 0.000 2.334 228 V HA 0.512 4.631 4.120 -0.000 0.000 0.281 228 V C -2.052 174.088 176.094 0.077 0.000 1.016 228 V CA -1.788 60.544 62.300 0.054 0.000 0.832 228 V CB 1.148 33.007 31.823 0.060 0.000 0.999 228 V HN 0.905 nan 8.190 nan 0.000 0.439 229 P HA 0.210 nan 4.420 nan 0.000 0.271 229 P C -0.192 177.183 177.300 0.125 0.000 1.220 229 P CA 0.098 63.256 63.100 0.096 0.000 0.768 229 P CB 0.742 32.496 31.700 0.091 0.000 0.848 230 T N 1.248 115.861 114.554 0.099 0.000 2.856 230 T HA 0.449 4.799 4.350 -0.000 0.000 0.292 230 T C 0.596 175.336 174.700 0.066 0.000 0.980 230 T CA -0.872 61.283 62.100 0.091 0.000 1.091 230 T CB 0.717 69.632 68.868 0.078 0.000 0.936 230 T HN 0.231 nan 8.240 nan 0.000 0.503 231 L N 2.201 123.444 121.223 0.034 0.000 2.466 231 L HA 0.319 4.659 4.340 -0.000 0.000 0.257 231 L C 0.900 177.767 176.870 -0.005 0.000 1.189 231 L CA -0.902 53.925 54.840 -0.022 0.000 0.813 231 L CB 0.694 42.669 42.059 -0.141 0.000 1.118 231 L HN 0.756 nan 8.230 nan 0.000 0.471 232 S N 0.755 116.446 115.700 -0.014 0.000 2.531 232 S HA 0.101 4.571 4.470 -0.000 0.000 0.279 232 S C -0.049 174.550 174.600 -0.001 0.000 1.305 232 S CA -0.508 57.694 58.200 0.003 0.000 1.058 232 S CB 0.875 64.078 63.200 0.004 0.000 0.899 232 S HN 0.334 nan 8.310 nan 0.000 0.493 233 K N 1.297 121.710 120.400 0.022 0.000 2.494 233 K HA 0.075 4.395 4.320 -0.000 0.000 0.273 233 K C -0.881 175.743 176.600 0.040 0.000 0.970 233 K CA 0.178 56.486 56.287 0.036 0.000 0.963 233 K CB 0.154 32.686 32.500 0.053 0.000 0.913 233 K HN 0.680 nan 8.250 nan 0.000 0.502 234 C N 4.190 123.527 119.300 0.062 0.000 2.298 234 C HA 0.399 4.859 4.460 -0.000 0.000 0.323 234 C C -0.284 174.857 174.990 0.253 0.000 1.284 234 C CA -0.816 58.270 59.018 0.114 0.000 1.577 234 C CB 0.406 28.145 27.740 -0.003 0.000 2.249 234 C HN 0.848 nan 8.230 nan 0.000 0.497 235 R N 3.086 123.712 120.500 0.210 0.000 2.316 235 R HA 0.271 4.611 4.340 -0.000 0.000 0.314 235 R C -0.529 175.898 176.300 0.212 0.000 1.069 235 R CA -0.158 56.054 56.100 0.186 0.000 0.959 235 R CB 0.295 30.651 30.300 0.092 0.000 0.987 235 R HN 0.671 nan 8.270 nan 0.000 0.446 236 F N 2.849 122.818 119.950 0.032 0.000 2.380 236 F HA 0.291 4.818 4.527 -0.000 0.000 0.325 236 F C -0.484 175.243 175.800 -0.122 0.000 1.136 236 F CA 0.446 58.350 58.000 -0.160 0.000 1.171 236 F CB 1.540 40.437 39.000 -0.172 0.000 1.230 236 F HN 0.436 nan 8.300 nan 0.000 0.554 237 T N 3.221 117.106 114.554 -1.115 0.000 3.143 237 T HA 0.348 4.698 4.350 -0.000 0.000 0.312 237 T C -0.323 173.924 174.700 -0.755 0.000 0.986 237 T CA -0.455 61.251 62.100 -0.657 0.000 1.024 237 T CB 0.995 69.629 68.868 -0.390 0.000 1.030 237 T HN 0.941 nan 8.240 nan 0.000 0.448 238 G N 2.987 111.577 108.800 -0.350 0.000 2.363 238 G HA2 0.452 4.412 3.960 -0.000 0.000 0.285 238 G HA3 0.452 4.412 3.960 -0.000 0.000 0.285 238 G C 0.174 174.917 174.900 -0.261 0.000 1.084 238 G CA 0.007 45.031 45.100 -0.126 0.000 1.216 238 G HN 0.884 nan 8.290 nan 0.000 0.429 239 S N 1.442 116.974 115.700 -0.280 0.000 2.643 239 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 239 S C -0.836 173.649 174.600 -0.192 0.000 1.166 239 S CA -1.017 56.946 58.200 -0.394 0.000 0.815 239 S CB 1.844 64.845 63.200 -0.333 0.000 1.139 239 S HN 0.958 nan 8.310 nan 0.000 0.472 240 Q N 0.150 119.832 119.800 -0.196 0.000 2.484 240 Q HA 0.847 5.187 4.340 -0.000 0.000 0.285 240 Q C -1.378 174.565 176.000 -0.095 0.000 1.097 240 Q CA -1.157 54.618 55.803 -0.047 0.000 0.802 240 Q CB 2.188 30.980 28.738 0.089 0.000 1.444 240 Q HN 0.876 nan 8.270 nan 0.000 0.429 241 I N 0.370 120.892 120.570 -0.080 0.000 2.610 241 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 241 I C -1.763 174.281 176.117 -0.122 0.000 1.163 241 I CA -0.701 60.519 61.300 -0.132 0.000 1.044 241 I CB 1.800 39.690 38.000 -0.183 0.000 1.251 241 I HN 0.712 nan 8.210 nan 0.000 0.424 242 R N 5.766 126.193 120.500 -0.122 0.000 2.371 242 R HA 0.423 4.763 4.340 -0.000 0.000 0.312 242 R C -0.513 175.726 176.300 -0.103 0.000 0.980 242 R CA -0.587 55.465 56.100 -0.081 0.000 0.867 242 R CB 1.047 31.326 30.300 -0.036 0.000 1.163 242 R HN 0.787 nan 8.270 nan 0.000 0.492 243 H N 2.840 121.853 119.070 -0.095 0.000 2.787 243 H HA 0.310 4.866 4.556 -0.000 0.000 0.275 243 H C -0.086 175.253 175.328 0.020 0.000 1.183 243 H CA -0.754 55.258 56.048 -0.060 0.000 1.290 243 H CB 0.414 30.168 29.762 -0.014 0.000 1.438 243 H HN 0.476 nan 8.280 nan 0.000 0.487 244 R N 1.858 122.363 120.500 0.007 0.000 2.457 244 R HA 0.492 4.832 4.340 -0.000 0.000 0.284 244 R C -0.709 175.609 176.300 0.030 0.000 1.024 244 R CA -0.240 55.874 56.100 0.023 0.000 1.025 244 R CB 0.770 31.077 30.300 0.013 0.000 1.063 244 R HN 0.816 nan 8.270 nan 0.000 0.493 245 E N 3.051 123.272 120.200 0.035 0.000 2.667 245 E HA 0.023 4.373 4.350 -0.000 0.000 0.386 245 E C -0.958 175.660 176.600 0.030 0.000 1.000 245 E CA -0.373 56.047 56.400 0.033 0.000 0.722 245 E CB 0.471 30.197 29.700 0.043 0.000 1.529 245 E HN 0.727 nan 8.360 nan 0.000 0.390 246 D N 2.690 123.104 120.400 0.023 0.000 2.411 246 D HA -0.077 4.563 4.640 -0.000 0.000 0.226 246 D C 1.569 177.880 176.300 0.019 0.000 0.988 246 D CA 1.063 55.074 54.000 0.019 0.000 0.938 246 D CB 0.068 40.877 40.800 0.015 0.000 0.883 246 D HN 0.602 nan 8.370 nan 0.000 0.525 247 G N 0.094 108.907 108.800 0.022 0.000 2.534 247 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.217 247 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.217 247 G C 0.824 175.738 174.900 0.023 0.000 1.128 247 G CA -0.040 45.073 45.100 0.022 0.000 0.784 247 G HN 0.215 nan 8.290 nan 0.000 0.542 248 L N 0.871 122.110 121.223 0.025 0.000 2.399 248 L HA 0.250 4.590 4.340 -0.000 0.000 0.266 248 L C -0.690 176.187 176.870 0.011 0.000 1.114 248 L CA -1.916 52.938 54.840 0.024 0.000 0.804 248 L CB 1.479 43.558 42.059 0.033 0.000 1.146 248 L HN -0.075 nan 8.230 nan 0.000 0.451 249 P HA -0.108 nan 4.420 nan 0.000 0.216 249 P C -0.263 177.029 177.300 -0.014 0.000 1.150 249 P CA 1.565 64.665 63.100 0.001 0.000 0.837 249 P CB 0.237 31.941 31.700 0.007 0.000 0.786 250 L N -4.867 116.331 121.223 -0.041 0.000 2.720 250 L HA 0.839 5.179 4.340 -0.000 0.000 0.261 250 L C -1.334 175.456 176.870 -0.133 0.000 1.046 250 L CA -1.701 53.098 54.840 -0.069 0.000 0.886 250 L CB 0.702 42.718 42.059 -0.072 0.000 1.493 250 L HN -0.170 nan 8.230 nan 0.000 0.407 251 A N -0.151 122.605 122.820 -0.107 0.000 2.282 251 A HA 0.812 5.132 4.320 -0.000 0.000 0.319 251 A C -0.839 176.638 177.584 -0.178 0.000 1.121 251 A CA -0.352 51.630 52.037 -0.091 0.000 0.836 251 A CB 0.433 19.448 19.000 0.025 0.000 1.146 251 A HN 0.834 nan 8.150 nan 0.000 0.494 252 H N -0.300 118.825 119.070 0.091 0.000 2.600 252 H HA 0.602 5.158 4.556 -0.000 0.000 0.357 252 H C -1.234 174.086 175.328 -0.013 0.000 1.106 252 H CA -0.406 55.712 56.048 0.117 0.000 1.193 252 H CB 1.766 31.703 29.762 0.292 0.000 1.594 252 H HN 0.373 nan 8.280 nan 0.000 0.526 253 V N 1.334 121.178 119.914 -0.116 0.000 2.789 253 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 253 V C -0.494 175.479 176.094 -0.203 0.000 1.073 253 V CA -0.857 61.227 62.300 -0.360 0.000 0.921 253 V CB 2.033 33.281 31.823 -0.958 0.000 1.009 253 V HN 0.946 nan 8.190 nan 0.000 0.426 254 A N 4.652 127.366 122.820 -0.177 0.000 2.429 254 A HA 0.858 5.178 4.320 -0.000 0.000 0.289 254 A C -1.306 176.132 177.584 -0.243 0.000 1.043 254 A CA -0.301 51.627 52.037 -0.182 0.000 0.722 254 A CB 1.222 20.036 19.000 -0.311 0.000 1.243 254 A HN 0.858 nan 8.150 nan 0.000 0.415 255 I N 1.655 121.973 120.570 -0.420 0.000 2.689 255 I HA 0.886 5.056 4.170 -0.000 0.000 0.299 255 I C -0.292 175.709 176.117 -0.193 0.000 1.059 255 I CA -0.577 60.510 61.300 -0.354 0.000 1.055 255 I CB 2.065 39.723 38.000 -0.569 0.000 1.243 255 I HN 1.096 nan 8.210 nan 0.000 0.425 256 A N 5.654 128.518 122.820 0.074 0.000 2.597 256 A HA 0.636 4.956 4.320 -0.000 0.000 0.292 256 A C -1.531 176.171 177.584 0.197 0.000 1.057 256 A CA -0.424 51.715 52.037 0.172 0.000 0.674 256 A CB 1.183 20.247 19.000 0.106 0.000 1.278 256 A HN 0.759 nan 8.150 nan 0.000 0.416 257 V N -1.318 118.613 119.914 0.028 0.000 3.096 257 V HA 0.778 4.898 4.120 -0.000 0.000 0.319 257 V C 0.262 176.028 176.094 -0.547 0.000 1.103 257 V CA -0.745 61.437 62.300 -0.197 0.000 1.016 257 V CB 1.461 33.191 31.823 -0.154 0.000 1.090 257 V HN 1.071 nan 8.190 nan 0.000 0.449 258 E N 0.634 120.201 120.200 -1.056 0.000 2.373 258 E HA 0.463 4.813 4.350 -0.000 0.000 0.267 258 E C 0.173 176.626 176.600 -0.246 0.000 1.032 258 E CA 0.116 55.991 56.400 -0.875 0.000 0.889 258 E CB 1.035 30.214 29.700 -0.869 0.000 0.984 258 E HN 1.108 nan 8.360 nan 0.000 0.425 259 G N 3.517 112.275 108.800 -0.070 0.000 2.437 259 G HA2 0.262 4.222 3.960 -0.000 0.000 0.319 259 G HA3 0.262 4.222 3.960 -0.000 0.000 0.319 259 G C -1.698 173.228 174.900 0.043 0.000 1.158 259 G CA -1.087 44.016 45.100 0.005 0.000 0.899 259 G HN 0.486 nan 8.290 nan 0.000 0.502 260 P HA 0.054 nan 4.420 nan 0.000 0.215 260 P C 0.836 178.160 177.300 0.041 0.000 1.157 260 P CA 1.568 64.692 63.100 0.040 0.000 0.863 260 P CB 0.230 31.898 31.700 -0.053 0.000 0.787 261 G N -1.339 107.452 108.800 -0.014 0.000 2.885 261 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.685 261 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.685 261 G C -0.014 174.916 174.900 0.050 0.000 1.216 261 G CA -0.403 44.684 45.100 -0.021 0.000 0.790 261 G HN 0.001 nan 8.290 nan 0.000 0.631 262 W N 1.258 122.607 121.300 0.081 0.000 2.288 262 W HA -0.199 4.461 4.660 -0.000 0.000 0.346 262 W C 3.024 179.662 176.519 0.199 0.000 1.402 262 W CA 3.392 60.758 57.345 0.036 0.000 1.311 262 W CB -0.886 28.448 29.460 -0.208 0.000 1.100 262 W HN 1.346 nan 8.180 nan 0.000 0.468 263 A N -0.570 122.508 122.820 0.429 0.000 1.929 263 A HA -0.300 4.020 4.320 -0.000 0.000 0.221 263 A C 0.857 178.634 177.584 0.322 0.000 1.211 263 A CA 2.005 54.258 52.037 0.359 0.000 0.657 263 A CB -1.519 17.640 19.000 0.265 0.000 0.827 263 A HN 0.467 nan 8.150 nan 0.000 0.462 264 H N 0.135 119.333 119.070 0.213 0.000 2.928 264 H HA 0.212 4.768 4.556 -0.000 0.000 0.338 264 H C -1.565 173.866 175.328 0.171 0.000 1.047 264 H CA -0.755 55.389 56.048 0.161 0.000 1.435 264 H CB 0.837 30.671 29.762 0.119 0.000 1.428 264 H HN 0.079 nan 8.280 nan 0.000 0.590 265 P HA -0.120 nan 4.420 nan 0.000 0.215 265 P C 0.986 178.293 177.300 0.012 0.000 1.157 265 P CA 1.024 64.079 63.100 -0.075 0.000 0.859 265 P CB 0.362 31.964 31.700 -0.164 0.000 0.786 266 D N -0.242 120.177 120.400 0.032 0.000 2.292 266 D HA -0.170 4.469 4.640 -0.000 0.000 0.205 266 D C 1.751 178.034 176.300 -0.029 0.000 0.994 266 D CA 0.870 54.914 54.000 0.074 0.000 0.897 266 D CB -0.686 40.223 40.800 0.181 0.000 0.907 266 D HN 0.211 nan 8.370 nan 0.000 0.467 267 L N 0.332 121.572 121.223 0.028 0.000 2.556 267 L HA -0.162 4.177 4.340 -0.000 0.000 0.230 267 L C 2.034 178.877 176.870 -0.044 0.000 1.163 267 L CA 0.196 55.013 54.840 -0.038 0.000 0.819 267 L CB -0.002 42.088 42.059 0.052 0.000 0.939 267 L HN -0.009 nan 8.230 nan 0.000 0.452 268 V N -1.154 118.747 119.914 -0.021 0.000 2.403 268 V HA -0.040 4.080 4.120 -0.000 0.000 0.239 268 V C 2.548 178.608 176.094 -0.058 0.000 1.041 268 V CA 1.319 63.591 62.300 -0.047 0.000 1.051 268 V CB -0.479 31.354 31.823 0.016 0.000 0.704 268 V HN 0.408 nan 8.190 nan 0.000 0.472 269 A N 0.199 122.987 122.820 -0.053 0.000 1.892 269 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 269 A C 2.159 179.681 177.584 -0.103 0.000 1.188 269 A CA 2.259 54.257 52.037 -0.065 0.000 0.631 269 A CB -0.720 18.241 19.000 -0.065 0.000 0.822 269 A HN 0.414 nan 8.150 nan 0.000 0.447 270 L N -0.808 120.305 121.223 -0.183 0.000 2.131 270 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 270 L C 2.391 179.232 176.870 -0.048 0.000 1.092 270 L CA 2.390 57.067 54.840 -0.271 0.000 0.759 270 L CB -0.652 41.093 42.059 -0.523 0.000 0.903 270 L HN 0.474 nan 8.230 nan 0.000 0.435 271 Q N -1.471 118.305 119.800 -0.040 0.000 2.172 271 Q HA -0.076 4.263 4.340 -0.000 0.000 0.200 271 Q C 2.106 178.122 176.000 0.026 0.000 0.964 271 Q CA 1.368 57.172 55.803 0.002 0.000 0.855 271 Q CB -0.091 28.599 28.738 -0.080 0.000 0.918 271 Q HN 0.394 nan 8.270 nan 0.000 0.444 272 V N 0.019 119.936 119.914 0.006 0.000 2.548 272 V HA -0.154 3.966 4.120 -0.000 0.000 0.249 272 V C 2.041 178.172 176.094 0.063 0.000 1.055 272 V CA 1.429 63.747 62.300 0.030 0.000 1.065 272 V CB -0.774 31.053 31.823 0.006 0.000 0.681 272 V HN 0.447 nan 8.190 nan 0.000 0.462 273 A N 0.351 123.207 122.820 0.061 0.000 1.873 273 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 273 A C 2.022 179.702 177.584 0.160 0.000 1.186 273 A CA 2.123 54.215 52.037 0.093 0.000 0.616 273 A CB -0.849 18.195 19.000 0.073 0.000 0.823 273 A HN 0.647 nan 8.150 nan 0.000 0.442 274 N N 0.046 118.874 118.700 0.214 0.000 2.272 274 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 274 N C 1.730 177.328 175.510 0.146 0.000 1.014 274 N CA 0.792 53.955 53.050 0.189 0.000 0.870 274 N CB -0.195 38.387 38.487 0.158 0.000 0.975 274 N HN 0.527 nan 8.380 nan 0.000 0.433 275 A N 0.702 123.614 122.820 0.153 0.000 2.067 275 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 275 A C 1.981 179.587 177.584 0.036 0.000 1.158 275 A CA 0.701 52.847 52.037 0.183 0.000 0.661 275 A CB -0.297 18.893 19.000 0.317 0.000 0.801 275 A HN 0.211 nan 8.150 nan 0.000 0.452 276 I N 0.108 120.714 120.570 0.061 0.000 2.333 276 I HA -0.147 4.022 4.170 -0.000 0.000 0.246 276 I C 2.328 178.465 176.117 0.034 0.000 1.106 276 I CA 1.365 62.684 61.300 0.032 0.000 1.411 276 I CB -0.271 37.757 38.000 0.046 0.000 1.082 276 I HN 0.490 nan 8.210 nan 0.000 0.420 277 I N -1.179 119.439 120.570 0.080 0.000 2.876 277 I HA 0.271 4.441 4.170 -0.000 0.000 0.264 277 I C 1.667 177.905 176.117 0.201 0.000 1.204 277 I CA 0.562 61.922 61.300 0.101 0.000 1.485 277 I CB -1.104 36.939 38.000 0.073 0.000 1.103 277 I HN 0.268 nan 8.210 nan 0.000 0.446 278 G N 2.698 111.570 108.800 0.119 0.000 2.632 278 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.322 278 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.322 278 G C 0.012 175.055 174.900 0.237 0.000 1.326 278 G CA 1.005 46.136 45.100 0.051 0.000 0.986 278 G HN 1.019 nan 8.290 nan 0.000 0.541 279 H N -3.424 115.573 119.070 -0.121 0.000 3.046 279 H HA 0.675 5.231 4.556 -0.000 0.000 0.361 279 H C -1.145 173.693 175.328 -0.817 0.000 1.235 279 H CA -1.030 54.621 56.048 -0.661 0.000 1.146 279 H CB 1.742 31.340 29.762 -0.272 0.000 1.859 279 H HN 0.871 nan 8.280 nan 0.000 0.548 280 Y N 1.187 120.590 120.300 -1.494 0.000 2.650 280 Y HA 0.478 5.028 4.550 -0.000 0.000 0.331 280 Y C -1.321 173.981 175.900 -0.997 0.000 1.082 280 Y CA -0.779 56.636 58.100 -1.141 0.000 1.171 280 Y CB 2.494 40.555 38.460 -0.665 0.000 1.326 280 Y HN 0.983 nan 8.280 nan 0.000 0.513 281 D N 1.018 120.148 120.400 -2.117 0.000 2.087 281 D HA 0.162 4.802 4.640 -0.000 0.000 0.161 281 D C -0.445 175.170 176.300 -1.142 0.000 1.196 281 D CA -0.408 52.874 54.000 -1.195 0.000 0.916 281 D CB 0.602 41.018 40.800 -0.640 0.000 2.216 281 D HN 0.644 nan 8.370 nan 0.000 0.512 282 R N 1.161 121.244 120.500 -0.695 0.000 2.477 282 R HA -0.144 4.196 4.340 -0.000 0.000 0.262 282 R C 0.622 176.851 176.300 -0.118 0.000 1.231 282 R CA 1.744 57.685 56.100 -0.264 0.000 1.089 282 R CB -0.776 29.495 30.300 -0.047 0.000 0.846 282 R HN 0.530 nan 8.270 nan 0.000 0.510 283 T N -3.542 110.966 114.554 -0.076 0.000 3.375 283 T HA 0.292 4.642 4.350 -0.000 0.000 0.363 283 T C -0.113 174.723 174.700 0.225 0.000 1.837 283 T CA -0.693 61.441 62.100 0.057 0.000 1.445 283 T CB 0.285 69.170 68.868 0.028 0.000 1.089 283 T HN 0.033 nan 8.240 nan 0.000 0.722 284 Y N 1.519 121.758 120.300 -0.103 0.000 2.731 284 Y HA 0.504 5.054 4.550 -0.000 0.000 0.269 284 Y C 1.634 177.605 175.900 0.119 0.000 1.156 284 Y CA -0.214 57.889 58.100 0.004 0.000 1.191 284 Y CB 0.135 38.645 38.460 0.084 0.000 1.382 284 Y HN 0.772 nan 8.280 nan 0.000 0.477 285 G N 0.595 109.542 108.800 0.245 0.000 2.636 285 G HA2 0.256 4.216 3.960 -0.000 0.000 0.261 285 G HA3 0.256 4.216 3.960 -0.000 0.000 0.261 285 G C 0.173 175.198 174.900 0.209 0.000 1.018 285 G CA 0.338 45.531 45.100 0.156 0.000 1.308 285 G HN 1.080 nan 8.290 nan 0.000 0.514 286 G N -0.550 108.259 108.800 0.015 0.000 3.391 286 G HA2 0.590 4.550 3.960 -0.000 0.000 0.257 286 G HA3 0.590 4.550 3.960 -0.000 0.000 0.257 286 G C 0.643 175.210 174.900 -0.555 0.000 3.853 286 G CA 0.732 45.668 45.100 -0.273 0.000 0.453 286 G HN 1.535 nan 8.290 nan 0.000 0.287 287 G N 0.034 108.704 108.800 -0.216 0.000 3.042 287 G HA2 0.328 4.288 3.960 -0.000 0.000 0.212 287 G HA3 0.328 4.288 3.960 -0.000 0.000 0.212 287 G C 1.011 175.844 174.900 -0.112 0.000 1.166 287 G CA 0.184 45.178 45.100 -0.177 0.000 0.767 287 G HN 0.540 nan 8.290 nan 0.000 0.546 288 L N 0.200 121.378 121.223 -0.074 0.000 2.959 288 L HA 0.302 4.642 4.340 -0.000 0.000 0.259 288 L C 0.266 177.205 176.870 0.115 0.000 1.185 288 L CA -0.600 54.251 54.840 0.018 0.000 0.998 288 L CB 0.001 42.080 42.059 0.032 0.000 1.337 288 L HN 0.166 nan 8.230 nan 0.000 0.555 289 H N 1.304 120.404 119.070 0.050 0.000 3.167 289 H HA -0.004 4.552 4.556 -0.000 0.000 0.306 289 H C 0.857 176.205 175.328 0.033 0.000 0.965 289 H CA -0.230 55.854 56.048 0.061 0.000 1.408 289 H CB 0.567 30.387 29.762 0.097 0.000 1.406 289 H HN 0.277 nan 8.280 nan 0.000 0.576 290 S N 3.411 119.194 115.700 0.139 0.000 2.558 290 S HA -0.054 4.415 4.470 -0.000 0.000 0.291 290 S C 0.987 175.622 174.600 0.058 0.000 1.306 290 S CA -0.149 58.090 58.200 0.064 0.000 1.056 290 S CB 0.934 64.148 63.200 0.023 0.000 0.836 290 S HN 0.828 nan 8.310 nan 0.000 0.504 291 S N 2.986 118.710 115.700 0.040 0.000 3.883 291 S HA -0.328 4.141 4.470 -0.000 0.000 0.538 291 S C 0.993 175.625 174.600 0.052 0.000 1.422 291 S CA 2.433 60.651 58.200 0.031 0.000 3.635 291 S CB -1.987 61.220 63.200 0.012 0.000 2.050 291 S HN 2.549 nan 8.310 nan 0.000 0.787 292 S N -0.406 115.320 115.700 0.043 0.000 3.491 292 S HA -0.149 4.321 4.470 -0.000 0.000 0.371 292 S C -1.554 173.095 174.600 0.082 0.000 0.980 292 S CA 0.959 59.212 58.200 0.089 0.000 1.204 292 S CB -2.057 61.217 63.200 0.124 0.000 0.915 292 S HN 0.467 nan 8.310 nan 0.000 0.482 293 P HA -0.114 nan 4.420 nan 0.000 0.217 293 P C 1.814 179.083 177.300 -0.051 0.000 1.148 293 P CA 0.979 64.071 63.100 -0.013 0.000 0.828 293 P CB 0.000 31.683 31.700 -0.029 0.000 0.783 294 L N -0.291 120.884 121.223 -0.079 0.000 2.043 294 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 294 L C 2.137 178.980 176.870 -0.046 0.000 1.075 294 L CA 2.248 56.968 54.840 -0.200 0.000 0.752 294 L CB -1.469 40.320 42.059 -0.451 0.000 0.891 294 L HN -0.090 nan 8.230 nan 0.000 0.432 295 A N -1.411 121.507 122.820 0.163 0.000 1.897 295 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 295 A C 2.517 179.986 177.584 -0.192 0.000 1.181 295 A CA 1.849 53.946 52.037 0.099 0.000 0.620 295 A CB -1.254 17.938 19.000 0.319 0.000 0.821 295 A HN 0.579 nan 8.150 nan 0.000 0.443 296 S N 0.500 116.156 115.700 -0.073 0.000 2.351 296 S HA -0.137 4.333 4.470 -0.000 0.000 0.220 296 S C 1.958 176.456 174.600 -0.171 0.000 1.035 296 S CA 1.702 59.825 58.200 -0.128 0.000 1.031 296 S CB -0.674 62.497 63.200 -0.049 0.000 0.928 296 S HN 0.421 nan 8.310 nan 0.000 0.433 297 I N 1.580 122.069 120.570 -0.135 0.000 2.151 297 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 297 I C 3.014 179.015 176.117 -0.192 0.000 1.080 297 I CA 1.076 62.293 61.300 -0.137 0.000 1.339 297 I CB -0.483 37.445 38.000 -0.121 0.000 1.039 297 I HN 0.411 nan 8.210 nan 0.000 0.409 298 A N 0.277 122.946 122.820 -0.252 0.000 2.032 298 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 298 A C 2.362 179.724 177.584 -0.371 0.000 1.165 298 A CA 2.071 53.918 52.037 -0.315 0.000 0.645 298 A CB -0.796 17.982 19.000 -0.370 0.000 0.807 298 A HN 0.322 nan 8.150 nan 0.000 0.453 299 V N -0.932 118.733 119.914 -0.416 0.000 2.500 299 V HA -0.027 4.093 4.120 -0.000 0.000 0.243 299 V C 3.080 179.073 176.094 -0.169 0.000 1.039 299 V CA 2.258 64.369 62.300 -0.315 0.000 1.053 299 V CB -1.545 30.084 31.823 -0.323 0.000 0.695 299 V HN 0.674 nan 8.190 nan 0.000 0.463 300 T N 0.306 114.770 114.554 -0.151 0.000 2.674 300 T HA -0.204 4.146 4.350 -0.000 0.000 0.265 300 T C 1.527 176.175 174.700 -0.086 0.000 1.039 300 T CA 1.860 63.900 62.100 -0.099 0.000 1.150 300 T CB -0.368 68.449 68.868 -0.085 0.000 0.864 300 T HN 0.388 nan 8.240 nan 0.000 0.427 301 N N 0.935 119.576 118.700 -0.098 0.000 2.268 301 N HA 0.100 4.839 4.740 -0.000 0.000 0.204 301 N C -0.400 175.058 175.510 -0.086 0.000 1.124 301 N CA 0.034 53.034 53.050 -0.084 0.000 0.838 301 N CB 0.548 38.986 38.487 -0.082 0.000 0.994 301 N HN 0.522 nan 8.380 nan 0.000 0.489 302 K N 0.825 121.168 120.400 -0.095 0.000 3.257 302 K HA -0.156 4.164 4.320 -0.000 0.000 0.270 302 K C 0.631 177.182 176.600 -0.081 0.000 0.984 302 K CA 0.067 56.308 56.287 -0.076 0.000 0.739 302 K CB -1.551 30.923 32.500 -0.043 0.000 1.351 302 K HN 0.273 nan 8.250 nan 0.000 0.463 303 L N -1.270 119.880 121.223 -0.121 0.000 2.313 303 L HA -0.042 4.298 4.340 -0.000 0.000 0.214 303 L C 1.323 178.121 176.870 -0.121 0.000 1.119 303 L CA 0.842 55.596 54.840 -0.144 0.000 0.809 303 L CB -0.196 41.738 42.059 -0.208 0.000 0.933 303 L HN 0.682 nan 8.230 nan 0.000 0.449 304 C N -4.642 114.633 119.300 -0.042 0.000 3.259 304 C HA 0.240 4.700 4.460 -0.000 0.000 0.344 304 C C 0.893 175.960 174.990 0.127 0.000 1.401 304 C CA -0.897 58.147 59.018 0.043 0.000 1.219 304 C CB 1.622 29.399 27.740 0.062 0.000 1.521 304 C HN 0.113 nan 8.230 nan 0.000 0.455 305 Q N 1.119 120.993 119.800 0.123 0.000 2.331 305 Q HA 0.248 4.588 4.340 -0.000 0.000 0.203 305 Q C 0.870 176.920 176.000 0.084 0.000 0.944 305 Q CA 1.546 57.408 55.803 0.098 0.000 0.892 305 Q CB 0.259 29.035 28.738 0.064 0.000 0.983 305 Q HN 1.254 nan 8.270 nan 0.000 0.482 306 S N -0.914 114.871 115.700 0.141 0.000 2.701 306 S HA 0.531 5.001 4.470 -0.000 0.000 0.267 306 S C -1.339 173.388 174.600 0.212 0.000 1.034 306 S CA -0.977 57.263 58.200 0.065 0.000 0.867 306 S CB 0.497 63.660 63.200 -0.061 0.000 1.123 306 S HN 0.260 nan 8.310 nan 0.000 0.470 307 F N -1.000 119.001 119.950 0.086 0.000 2.744 307 F HA 0.813 5.339 4.527 -0.000 0.000 0.311 307 F C -1.950 173.992 175.800 0.236 0.000 1.144 307 F CA -0.705 57.378 58.000 0.138 0.000 0.938 307 F CB 1.046 40.132 39.000 0.142 0.000 1.292 307 F HN 1.001 nan 8.300 nan 0.000 0.444 308 Q N 1.089 121.312 119.800 0.704 0.000 2.309 308 Q HA 0.550 4.890 4.340 -0.000 0.000 0.273 308 Q C -1.641 174.794 176.000 0.724 0.000 1.040 308 Q CA -0.991 55.184 55.803 0.620 0.000 0.834 308 Q CB 2.305 31.358 28.738 0.525 0.000 1.345 308 Q HN 0.898 nan 8.270 nan 0.000 0.414 309 T N 2.485 117.365 114.554 0.542 0.000 2.837 309 T HA 0.736 5.086 4.350 -0.000 0.000 0.285 309 T C -1.192 173.730 174.700 0.370 0.000 0.984 309 T CA -0.410 61.926 62.100 0.392 0.000 1.049 309 T CB 0.284 69.301 68.868 0.248 0.000 0.947 309 T HN 0.494 nan 8.240 nan 0.000 0.472 310 F N 1.436 121.450 119.950 0.107 0.000 2.608 310 F HA 0.676 5.203 4.527 -0.000 0.000 0.309 310 F C -0.391 175.414 175.800 0.009 0.000 1.103 310 F CA -1.147 56.910 58.000 0.095 0.000 0.954 310 F CB 1.515 40.646 39.000 0.218 0.000 1.267 310 F HN 0.373 nan 8.300 nan 0.000 0.444 311 S N 4.362 120.125 115.700 0.106 0.000 2.078 311 S HA 0.504 4.973 4.470 -0.000 0.000 0.168 311 S C -0.517 174.137 174.600 0.090 0.000 1.542 311 S CA -0.454 57.793 58.200 0.078 0.000 1.223 311 S CB -0.659 62.619 63.200 0.131 0.000 1.152 311 S HN 0.593 nan 8.310 nan 0.000 0.452 312 I N 3.808 124.532 120.570 0.256 0.000 2.533 312 I HA 0.211 4.381 4.170 -0.000 0.000 0.284 312 I C 0.701 176.745 176.117 -0.122 0.000 1.109 312 I CA -0.329 61.045 61.300 0.124 0.000 1.412 312 I CB 0.253 38.476 38.000 0.373 0.000 1.396 312 I HN 0.616 nan 8.210 nan 0.000 0.543 313 C N 4.828 123.806 119.300 -0.537 0.000 2.971 313 C HA 0.778 5.238 4.460 -0.000 0.000 0.310 313 C C -0.646 173.704 174.990 -1.068 0.000 1.285 313 C CA -0.946 57.632 59.018 -0.733 0.000 1.593 313 C CB 1.249 28.442 27.740 -0.911 0.000 2.076 313 C HN 0.668 nan 8.230 nan 0.000 0.472 314 Y N -0.040 120.088 120.300 -0.286 0.000 2.790 314 Y HA 0.529 5.079 4.550 -0.000 0.000 0.323 314 Y C 2.014 177.999 175.900 0.140 0.000 1.230 314 Y CA 0.055 58.177 58.100 0.036 0.000 1.121 314 Y CB 0.987 39.475 38.460 0.045 0.000 1.328 314 Y HN 0.860 nan 8.280 nan 0.000 0.514 315 S N 0.728 116.721 115.700 0.488 0.000 2.389 315 S HA -0.295 4.175 4.470 -0.000 0.000 0.229 315 S C 0.833 175.592 174.600 0.266 0.000 1.048 315 S CA 2.403 60.839 58.200 0.394 0.000 1.117 315 S CB -0.556 62.805 63.200 0.268 0.000 1.020 315 S HN 0.757 nan 8.310 nan 0.000 0.430 316 E N 0.139 120.454 120.200 0.191 0.000 2.693 316 E HA 0.518 4.868 4.350 -0.000 0.000 0.214 316 E C 0.276 176.954 176.600 0.130 0.000 0.990 316 E CA -0.048 56.440 56.400 0.145 0.000 1.047 316 E CB 0.285 30.055 29.700 0.116 0.000 1.039 316 E HN 0.463 nan 8.360 nan 0.000 0.475 317 T N -2.075 112.569 114.554 0.150 0.000 2.653 317 T HA 0.763 5.113 4.350 -0.000 0.000 0.306 317 T C -0.980 173.859 174.700 0.231 0.000 1.426 317 T CA -0.185 62.025 62.100 0.184 0.000 1.008 317 T CB 1.155 70.166 68.868 0.238 0.000 1.692 317 T HN 0.461 nan 8.240 nan 0.000 0.483 318 G N -0.169 108.833 108.800 0.338 0.000 2.340 318 G HA2 0.529 4.489 3.960 -0.000 0.000 0.299 318 G HA3 0.529 4.489 3.960 -0.000 0.000 0.299 318 G C -2.401 172.713 174.900 0.358 0.000 1.291 318 G CA -0.660 44.655 45.100 0.358 0.000 0.841 318 G HN 0.811 nan 8.290 nan 0.000 0.500 319 L N 0.302 121.694 121.223 0.283 0.000 2.441 319 L HA 0.502 4.842 4.340 -0.000 0.000 0.270 319 L C -1.534 175.391 176.870 0.092 0.000 0.973 319 L CA -0.514 54.459 54.840 0.222 0.000 0.842 319 L CB 2.255 44.544 42.059 0.385 0.000 1.239 319 L HN 0.516 nan 8.230 nan 0.000 0.406 320 F N 3.338 123.170 119.950 -0.197 0.000 2.325 320 F HA 0.766 5.293 4.527 -0.000 0.000 0.369 320 F C 0.291 175.872 175.800 -0.365 0.000 1.095 320 F CA -0.136 57.662 58.000 -0.337 0.000 1.082 320 F CB 1.005 39.813 39.000 -0.319 0.000 1.289 320 F HN 0.426 nan 8.300 nan 0.000 0.462 321 G N 4.243 112.335 108.800 -1.180 0.000 2.896 321 G HA2 0.588 4.548 3.960 -0.000 0.000 0.247 321 G HA3 0.588 4.548 3.960 -0.000 0.000 0.247 321 G C -1.656 172.964 174.900 -0.465 0.000 1.187 321 G CA -0.341 44.430 45.100 -0.548 0.000 0.837 321 G HN 0.691 nan 8.290 nan 0.000 0.559 322 F N -2.049 117.931 119.950 0.049 0.000 2.713 322 F HA 0.805 5.332 4.527 -0.000 0.000 0.311 322 F C -2.013 174.066 175.800 0.464 0.000 1.141 322 F CA -2.062 56.129 58.000 0.319 0.000 0.939 322 F CB 1.752 40.764 39.000 0.019 0.000 1.325 322 F HN 0.736 nan 8.300 nan 0.000 0.453 323 Y N 3.601 124.298 120.300 0.662 0.000 2.362 323 Y HA 0.687 5.237 4.550 -0.000 0.000 0.326 323 Y C -2.116 174.060 175.900 0.459 0.000 1.083 323 Y CA -2.331 55.972 58.100 0.337 0.000 1.073 323 Y CB 1.483 40.054 38.460 0.185 0.000 1.211 323 Y HN 0.783 nan 8.280 nan 0.000 0.433 324 F N 4.192 124.111 119.950 -0.053 0.000 2.561 324 F HA 0.890 5.417 4.527 -0.000 0.000 0.321 324 F C -1.817 173.833 175.800 -0.249 0.000 1.065 324 F CA -1.744 56.160 58.000 -0.159 0.000 0.934 324 F CB 1.125 40.156 39.000 0.051 0.000 1.215 324 F HN 0.198 nan 8.300 nan 0.000 0.471 325 V N 1.832 121.809 119.914 0.105 0.000 2.417 325 V HA 0.751 4.871 4.120 -0.000 0.000 0.291 325 V C 0.336 176.543 176.094 0.187 0.000 1.024 325 V CA -0.128 62.241 62.300 0.115 0.000 0.861 325 V CB 0.602 32.495 31.823 0.115 0.000 0.985 325 V HN 1.372 nan 8.190 nan 0.000 0.436 326 C N 3.080 122.471 119.300 0.153 0.000 3.288 326 C HA 0.710 5.170 4.460 -0.000 0.000 0.318 326 C C -0.273 174.751 174.990 0.056 0.000 1.356 326 C CA -0.827 58.268 59.018 0.128 0.000 1.359 326 C CB 1.550 29.402 27.740 0.187 0.000 1.688 326 C HN 0.730 nan 8.230 nan 0.000 0.467 327 D N 1.143 121.564 120.400 0.036 0.000 2.382 327 D HA 0.152 4.792 4.640 -0.000 0.000 0.240 327 D C 1.209 177.523 176.300 0.025 0.000 1.146 327 D CA 0.114 54.124 54.000 0.017 0.000 0.897 327 D CB 1.101 41.907 40.800 0.009 0.000 1.197 327 D HN 0.729 nan 8.370 nan 0.000 0.432 328 R N 0.931 121.441 120.500 0.016 0.000 2.133 328 R HA -0.190 4.150 4.340 -0.000 0.000 0.247 328 R C 1.632 177.944 176.300 0.020 0.000 1.151 328 R CA 1.600 57.712 56.100 0.020 0.000 0.971 328 R CB 0.071 30.378 30.300 0.012 0.000 0.866 328 R HN 0.405 nan 8.270 nan 0.000 0.447 329 M N -0.319 119.286 119.600 0.009 0.000 2.514 329 M HA 0.032 4.512 4.480 -0.000 0.000 0.258 329 M C 1.608 177.903 176.300 -0.009 0.000 1.119 329 M CA 0.829 56.129 55.300 -0.001 0.000 1.111 329 M CB 0.318 32.913 32.600 -0.008 0.000 1.390 329 M HN 0.169 nan 8.290 nan 0.000 0.475 330 S N -0.722 114.973 115.700 -0.008 0.000 2.568 330 S HA 0.272 4.742 4.470 -0.000 0.000 0.232 330 S C 1.502 176.081 174.600 -0.036 0.000 0.975 330 S CA -0.410 57.769 58.200 -0.034 0.000 0.949 330 S CB -0.451 62.718 63.200 -0.051 0.000 0.829 330 S HN 0.336 nan 8.310 nan 0.000 0.479 331 I N 1.865 122.454 120.570 0.031 0.000 2.127 331 I HA -0.209 3.961 4.170 -0.000 0.000 0.241 331 I C 2.591 178.740 176.117 0.053 0.000 1.075 331 I CA 1.999 63.368 61.300 0.116 0.000 1.334 331 I CB -0.545 37.559 38.000 0.173 0.000 1.040 331 I HN 0.348 nan 8.210 nan 0.000 0.405 332 D N 1.191 121.611 120.400 0.034 0.000 2.095 332 D HA -0.234 4.406 4.640 -0.000 0.000 0.192 332 D C 1.710 178.011 176.300 0.003 0.000 0.990 332 D CA 1.936 55.952 54.000 0.027 0.000 0.836 332 D CB -0.113 40.687 40.800 0.000 0.000 0.979 332 D HN 0.193 nan 8.370 nan 0.000 0.447 333 D N -0.857 119.516 120.400 -0.045 0.000 2.133 333 D HA -0.215 4.425 4.640 -0.000 0.000 0.192 333 D C 1.864 178.130 176.300 -0.057 0.000 1.001 333 D CA 1.273 55.251 54.000 -0.036 0.000 0.844 333 D CB -0.354 40.395 40.800 -0.084 0.000 0.944 333 D HN 0.211 nan 8.370 nan 0.000 0.447 334 M N -0.087 119.380 119.600 -0.223 0.000 2.082 334 M HA -0.200 4.280 4.480 -0.000 0.000 0.258 334 M C 2.017 178.013 176.300 -0.506 0.000 1.071 334 M CA 1.571 56.580 55.300 -0.485 0.000 1.103 334 M CB -0.567 31.517 32.600 -0.860 0.000 1.307 334 M HN 0.117 nan 8.290 nan 0.000 0.409 335 M N -0.424 118.963 119.600 -0.355 0.000 2.108 335 M HA -0.161 4.319 4.480 -0.000 0.000 0.261 335 M C 1.899 178.172 176.300 -0.046 0.000 1.066 335 M CA 1.868 57.146 55.300 -0.037 0.000 1.107 335 M CB -0.935 31.795 32.600 0.217 0.000 1.356 335 M HN 0.431 nan 8.290 nan 0.000 0.406 336 F N -0.047 119.824 119.950 -0.132 0.000 2.025 336 F HA -0.225 4.302 4.527 -0.000 0.000 0.297 336 F C 1.919 177.637 175.800 -0.136 0.000 1.132 336 F CA 2.395 60.331 58.000 -0.107 0.000 1.191 336 F CB -0.958 37.985 39.000 -0.096 0.000 0.963 336 F HN 0.013 nan 8.300 nan 0.000 0.481 337 V N 0.890 120.726 119.914 -0.128 0.000 2.282 337 V HA -0.350 3.770 4.120 -0.000 0.000 0.249 337 V C 2.877 178.731 176.094 -0.400 0.000 1.057 337 V CA 2.214 64.364 62.300 -0.250 0.000 1.032 337 V CB -1.752 29.996 31.823 -0.126 0.000 0.645 337 V HN 0.580 nan 8.190 nan 0.000 0.447 338 L N -0.720 120.204 121.223 -0.498 0.000 1.961 338 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 338 L C 2.459 178.951 176.870 -0.631 0.000 1.072 338 L CA 2.899 57.298 54.840 -0.735 0.000 0.749 338 L CB -1.649 39.754 42.059 -1.095 0.000 0.889 338 L HN 0.457 nan 8.230 nan 0.000 0.432 339 Q N -0.235 119.297 119.800 -0.447 0.000 2.308 339 Q HA -0.175 4.165 4.340 -0.000 0.000 0.209 339 Q C 2.217 178.114 176.000 -0.172 0.000 0.985 339 Q CA 1.567 57.221 55.803 -0.248 0.000 0.881 339 Q CB -0.490 28.175 28.738 -0.122 0.000 0.917 339 Q HN 0.797 nan 8.270 nan 0.000 0.443 340 G N -0.442 108.181 108.800 -0.296 0.000 2.430 340 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 340 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 340 G C 1.245 176.090 174.900 -0.092 0.000 1.146 340 G CA 0.139 45.123 45.100 -0.193 0.000 0.793 340 G HN 0.249 nan 8.290 nan 0.000 0.537 341 Q N -0.338 119.364 119.800 -0.164 0.000 2.172 341 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 341 Q C 2.284 178.323 176.000 0.064 0.000 0.964 341 Q CA 0.609 56.352 55.803 -0.100 0.000 0.855 341 Q CB -0.275 28.348 28.738 -0.193 0.000 0.918 341 Q HN 0.613 nan 8.270 nan 0.000 0.444 342 W N 0.871 122.123 121.300 -0.080 0.000 2.355 342 W HA -0.087 4.573 4.660 -0.000 0.000 0.309 342 W C 2.134 178.633 176.519 -0.034 0.000 1.206 342 W CA 0.717 58.066 57.345 0.007 0.000 1.284 342 W CB -0.647 28.874 29.460 0.103 0.000 1.145 342 W HN 0.145 nan 8.180 nan 0.000 0.502 343 M N -0.369 119.343 119.600 0.187 0.000 2.065 343 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 343 M C 2.149 178.261 176.300 -0.313 0.000 1.071 343 M CA 1.714 56.999 55.300 -0.026 0.000 1.109 343 M CB -1.884 30.689 32.600 -0.044 0.000 1.313 343 M HN 0.036 nan 8.290 nan 0.000 0.408 344 R N 0.362 120.643 120.500 -0.364 0.000 2.113 344 R HA -0.234 4.106 4.340 -0.000 0.000 0.244 344 R C 2.261 178.420 176.300 -0.234 0.000 1.142 344 R CA 1.876 57.738 56.100 -0.396 0.000 0.953 344 R CB -0.612 29.570 30.300 -0.196 0.000 0.860 344 R HN 0.266 nan 8.270 nan 0.000 0.438 345 L N 1.027 122.194 121.223 -0.095 0.000 1.997 345 L HA -0.245 4.095 4.340 -0.000 0.000 0.216 345 L C 2.194 179.015 176.870 -0.080 0.000 1.074 345 L CA 2.320 57.139 54.840 -0.035 0.000 0.763 345 L CB -0.771 41.334 42.059 0.077 0.000 0.890 345 L HN 0.581 nan 8.230 nan 0.000 0.434 346 C N -3.773 115.470 119.300 -0.096 0.000 2.780 346 C HA 0.389 4.849 4.460 -0.000 0.000 0.287 346 C C 1.905 176.781 174.990 -0.190 0.000 1.288 346 C CA 0.101 59.047 59.018 -0.120 0.000 1.713 346 C CB -1.539 26.149 27.740 -0.087 0.000 1.955 346 C HN 0.662 nan 8.230 nan 0.000 0.613 347 T N 0.270 114.664 114.554 -0.265 0.000 2.966 347 T HA 0.212 4.562 4.350 -0.000 0.000 0.254 347 T C 0.739 175.262 174.700 -0.295 0.000 0.961 347 T CA 1.130 63.030 62.100 -0.333 0.000 0.915 347 T CB -0.079 68.478 68.868 -0.518 0.000 1.186 347 T HN 0.730 nan 8.240 nan 0.000 0.505 348 S N 0.726 116.257 115.700 -0.280 0.000 2.630 348 S HA 0.403 4.873 4.470 -0.000 0.000 0.173 348 S C -0.461 174.059 174.600 -0.133 0.000 1.048 348 S CA -0.728 57.357 58.200 -0.193 0.000 1.172 348 S CB -0.748 62.319 63.200 -0.221 0.000 1.638 348 S HN 0.450 nan 8.310 nan 0.000 0.429 349 I N 2.618 123.124 120.570 -0.107 0.000 3.021 349 I HA 0.622 4.792 4.170 -0.000 0.000 0.303 349 I C 0.239 176.328 176.117 -0.046 0.000 1.044 349 I CA 0.076 61.335 61.300 -0.069 0.000 1.266 349 I CB 1.527 39.493 38.000 -0.057 0.000 1.447 349 I HN 0.708 nan 8.210 nan 0.000 0.593 350 S N 3.428 119.111 115.700 -0.029 0.000 2.599 350 S HA 0.392 4.862 4.470 -0.000 0.000 0.287 350 S C 0.353 174.947 174.600 -0.010 0.000 1.105 350 S CA -0.803 57.387 58.200 -0.018 0.000 0.899 350 S CB 1.825 65.018 63.200 -0.012 0.000 1.100 350 S HN 0.640 nan 8.310 nan 0.000 0.482 351 E N 1.390 121.586 120.200 -0.006 0.000 2.051 351 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 351 E C 1.953 178.555 176.600 0.003 0.000 0.991 351 E CA 1.465 57.864 56.400 -0.001 0.000 0.799 351 E CB -0.596 29.104 29.700 -0.000 0.000 0.748 351 E HN 0.674 nan 8.360 nan 0.000 0.449 352 S N 0.474 116.176 115.700 0.003 0.000 2.402 352 S HA -0.215 4.255 4.470 -0.000 0.000 0.233 352 S C 1.747 176.351 174.600 0.008 0.000 1.030 352 S CA 1.454 59.658 58.200 0.006 0.000 1.003 352 S CB 0.007 63.210 63.200 0.006 0.000 0.813 352 S HN 0.265 nan 8.310 nan 0.000 0.477 353 E N 0.251 120.454 120.200 0.005 0.000 2.008 353 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 353 E C 2.338 178.946 176.600 0.013 0.000 0.986 353 E CA 1.457 57.861 56.400 0.007 0.000 0.807 353 E CB -0.491 29.210 29.700 0.001 0.000 0.766 353 E HN 0.569 nan 8.360 nan 0.000 0.450 354 V N 0.666 120.586 119.914 0.010 0.000 2.380 354 V HA -0.268 3.852 4.120 -0.000 0.000 0.251 354 V C 2.344 178.451 176.094 0.022 0.000 1.063 354 V CA 1.643 63.953 62.300 0.015 0.000 1.055 354 V CB -0.793 31.034 31.823 0.006 0.000 0.657 354 V HN 0.146 nan 8.190 nan 0.000 0.455 355 L N 0.737 121.971 121.223 0.018 0.000 1.971 355 L HA -0.184 4.156 4.340 -0.000 0.000 0.215 355 L C 2.826 179.713 176.870 0.029 0.000 1.072 355 L CA 2.845 57.697 54.840 0.020 0.000 0.758 355 L CB -0.889 41.179 42.059 0.015 0.000 0.889 355 L HN 0.431 nan 8.230 nan 0.000 0.433 356 R N -0.821 119.698 120.500 0.031 0.000 2.070 356 R HA -0.143 4.197 4.340 -0.000 0.000 0.233 356 R C 2.221 178.569 176.300 0.080 0.000 1.137 356 R CA 1.568 57.696 56.100 0.047 0.000 0.945 356 R CB -1.098 29.222 30.300 0.034 0.000 0.845 356 R HN 0.559 nan 8.270 nan 0.000 0.430 357 G N 1.587 110.429 108.800 0.070 0.000 2.703 357 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.222 357 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.222 357 G C 1.237 176.210 174.900 0.123 0.000 1.183 357 G CA 1.728 46.889 45.100 0.102 0.000 0.775 357 G HN 0.414 nan 8.290 nan 0.000 0.615 358 K N 0.373 120.814 120.400 0.069 0.000 1.977 358 K HA -0.169 4.151 4.320 -0.000 0.000 0.218 358 K C 2.430 179.055 176.600 0.041 0.000 1.051 358 K CA 1.551 57.864 56.287 0.044 0.000 0.953 358 K CB -0.461 32.058 32.500 0.032 0.000 0.727 358 K HN 0.217 nan 8.250 nan 0.000 0.445 359 N N 0.822 119.548 118.700 0.043 0.000 2.036 359 N HA -0.239 4.501 4.740 -0.000 0.000 0.199 359 N C 1.596 177.128 175.510 0.037 0.000 1.036 359 N CA 1.570 54.633 53.050 0.022 0.000 0.870 359 N CB -0.711 37.791 38.487 0.026 0.000 1.055 359 N HN 0.170 nan 8.380 nan 0.000 0.436 360 F N 1.063 120.992 119.950 -0.035 0.000 2.154 360 F HA -0.118 4.409 4.527 -0.000 0.000 0.301 360 F C 2.058 177.827 175.800 -0.052 0.000 1.087 360 F CA 1.066 59.044 58.000 -0.037 0.000 1.274 360 F CB -0.360 38.626 39.000 -0.025 0.000 1.009 360 F HN 0.076 nan 8.300 nan 0.000 0.485 361 L N -0.022 121.112 121.223 -0.148 0.000 1.988 361 L HA -0.203 4.136 4.340 -0.000 0.000 0.207 361 L C 2.716 179.423 176.870 -0.271 0.000 1.071 361 L CA 1.488 56.167 54.840 -0.268 0.000 0.744 361 L CB -0.479 41.511 42.059 -0.115 0.000 0.893 361 L HN 0.029 nan 8.230 nan 0.000 0.433 362 R N -0.200 120.218 120.500 -0.137 0.000 2.133 362 R HA -0.276 4.064 4.340 -0.000 0.000 0.247 362 R C 1.985 178.222 176.300 -0.106 0.000 1.151 362 R CA 2.067 58.123 56.100 -0.074 0.000 0.971 362 R CB -0.565 29.733 30.300 -0.003 0.000 0.866 362 R HN 0.415 nan 8.270 nan 0.000 0.447 363 N N 0.090 118.686 118.700 -0.173 0.000 2.244 363 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 363 N C 1.431 176.807 175.510 -0.223 0.000 1.016 363 N CA 1.401 54.350 53.050 -0.169 0.000 0.866 363 N CB -0.003 38.388 38.487 -0.161 0.000 0.980 363 N HN 0.266 nan 8.380 nan 0.000 0.430 364 A N 1.219 123.809 122.820 -0.383 0.000 1.840 364 A HA -0.012 4.308 4.320 -0.000 0.000 0.214 364 A C 2.090 179.493 177.584 -0.302 0.000 1.198 364 A CA 1.104 52.901 52.037 -0.399 0.000 0.608 364 A CB -1.171 17.475 19.000 -0.589 0.000 0.839 364 A HN 0.401 nan 8.150 nan 0.000 0.443 365 L N 0.440 121.471 121.223 -0.320 0.000 2.113 365 L HA -0.232 4.108 4.340 -0.000 0.000 0.221 365 L C 2.216 179.082 176.870 -0.006 0.000 1.084 365 L CA 2.830 57.543 54.840 -0.211 0.000 0.787 365 L CB -1.006 40.963 42.059 -0.151 0.000 0.893 365 L HN 0.252 nan 8.230 nan 0.000 0.440 366 V N -0.757 119.158 119.914 0.000 0.000 2.331 366 V HA -0.137 3.983 4.120 -0.000 0.000 0.242 366 V C 2.629 178.760 176.094 0.062 0.000 1.034 366 V CA 1.601 63.938 62.300 0.062 0.000 1.027 366 V CB -0.416 31.450 31.823 0.071 0.000 0.667 366 V HN 0.508 nan 8.190 nan 0.000 0.457 367 S N -1.504 114.207 115.700 0.019 0.000 2.584 367 S HA -0.197 4.273 4.470 -0.000 0.000 0.240 367 S C 1.747 176.409 174.600 0.104 0.000 0.975 367 S CA 0.822 59.044 58.200 0.036 0.000 0.949 367 S CB -0.814 62.386 63.200 -0.001 0.000 0.761 367 S HN 0.716 nan 8.310 nan 0.000 0.536 368 H N -0.207 118.855 119.070 -0.013 0.000 2.524 368 H HA 0.138 4.694 4.556 -0.000 0.000 0.282 368 H C 0.216 175.553 175.328 0.015 0.000 1.016 368 H CA 0.726 56.774 56.048 0.000 0.000 1.270 368 H CB 0.209 29.974 29.762 0.005 0.000 1.394 368 H HN 0.343 nan 8.280 nan 0.000 0.568 369 L N 1.338 122.634 121.223 0.122 0.000 2.999 369 L HA 0.170 4.510 4.340 -0.000 0.000 0.263 369 L C -0.765 176.127 176.870 0.037 0.000 1.320 369 L CA -0.385 54.487 54.840 0.053 0.000 0.913 369 L CB 0.740 42.833 42.059 0.056 0.000 1.296 369 L HN 0.017 nan 8.230 nan 0.000 0.546 370 D N 1.559 121.980 120.400 0.036 0.000 2.485 370 D HA 0.568 5.208 4.640 -0.000 0.000 0.221 370 D C 0.512 176.821 176.300 0.016 0.000 1.112 370 D CA 0.489 54.505 54.000 0.027 0.000 0.911 370 D CB 0.735 41.553 40.800 0.031 0.000 1.019 370 D HN 0.468 nan 8.370 nan 0.000 0.516 371 G N 1.744 110.550 108.800 0.009 0.000 2.343 371 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.562 371 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.562 371 G C 0.736 175.633 174.900 -0.006 0.000 1.269 371 G CA 0.021 45.123 45.100 0.003 0.000 1.011 371 G HN 0.449 nan 8.290 nan 0.000 0.498 372 T N -3.421 111.127 114.554 -0.010 0.000 2.925 372 T HA 0.103 4.453 4.350 -0.000 0.000 0.245 372 T C 2.368 177.052 174.700 -0.027 0.000 1.025 372 T CA 2.457 64.549 62.100 -0.014 0.000 1.149 372 T CB -0.854 68.009 68.868 -0.008 0.000 0.866 372 T HN 0.900 nan 8.240 nan 0.000 0.437 373 T N 3.759 118.288 114.554 -0.043 0.000 2.620 373 T HA -0.091 4.259 4.350 -0.000 0.000 0.267 373 T C -0.257 174.391 174.700 -0.086 0.000 1.044 373 T CA 2.059 64.093 62.100 -0.111 0.000 1.161 373 T CB -1.530 67.245 68.868 -0.155 0.000 0.862 373 T HN 0.481 nan 8.240 nan 0.000 0.438 374 P HA -0.013 nan 4.420 nan 0.000 0.216 374 P C 1.678 178.937 177.300 -0.069 0.000 1.153 374 P CA 0.913 63.986 63.100 -0.045 0.000 0.848 374 P CB -0.272 31.413 31.700 -0.026 0.000 0.787 375 V N 0.826 120.707 119.914 -0.055 0.000 2.255 375 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 375 V C 3.078 179.103 176.094 -0.116 0.000 1.051 375 V CA 2.212 64.471 62.300 -0.068 0.000 1.018 375 V CB -1.809 29.987 31.823 -0.045 0.000 0.641 375 V HN 0.248 nan 8.190 nan 0.000 0.445 376 C N 0.468 119.715 119.300 -0.089 0.000 2.391 376 C HA -0.251 4.209 4.460 -0.000 0.000 0.276 376 C C 2.888 177.654 174.990 -0.374 0.000 1.217 376 C CA 2.054 61.006 59.018 -0.109 0.000 1.766 376 C CB -0.908 26.872 27.740 0.066 0.000 2.046 376 C HN 0.738 nan 8.230 nan 0.000 0.475 377 E N 0.821 120.839 120.200 -0.304 0.000 2.118 377 E HA -0.203 4.146 4.350 -0.000 0.000 0.195 377 E C 1.432 177.686 176.600 -0.577 0.000 0.992 377 E CA 2.414 58.469 56.400 -0.574 0.000 0.804 377 E CB -0.390 29.300 29.700 -0.017 0.000 0.741 377 E HN 0.734 nan 8.360 nan 0.000 0.458 378 D N -0.385 119.819 120.400 -0.328 0.000 2.103 378 D HA -0.070 4.570 4.640 -0.000 0.000 0.199 378 D C 1.924 178.076 176.300 -0.247 0.000 0.978 378 D CA 1.464 55.337 54.000 -0.212 0.000 0.829 378 D CB -0.097 40.645 40.800 -0.097 0.000 0.981 378 D HN 0.264 nan 8.370 nan 0.000 0.464 379 I N 0.894 121.292 120.570 -0.287 0.000 2.127 379 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 379 I C 2.563 178.454 176.117 -0.377 0.000 1.075 379 I CA 1.407 62.549 61.300 -0.263 0.000 1.334 379 I CB -0.803 37.063 38.000 -0.223 0.000 1.040 379 I HN 0.065 nan 8.210 nan 0.000 0.405 380 G N 0.909 109.269 108.800 -0.732 0.000 2.514 380 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 380 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 380 G C 1.777 176.371 174.900 -0.511 0.000 1.198 380 G CA 0.833 45.306 45.100 -1.044 0.000 0.780 380 G HN 0.295 nan 8.290 nan 0.000 0.565 381 R N -0.001 120.254 120.500 -0.408 0.000 2.089 381 R HA 0.032 4.372 4.340 -0.000 0.000 0.222 381 R C 2.455 178.662 176.300 -0.155 0.000 1.151 381 R CA 1.252 57.295 56.100 -0.094 0.000 0.908 381 R CB -0.715 29.554 30.300 -0.051 0.000 0.813 381 R HN 0.312 nan 8.270 nan 0.000 0.440 382 E N 0.753 120.908 120.200 -0.075 0.000 2.240 382 E HA -0.292 4.058 4.350 -0.000 0.000 0.236 382 E C 1.878 178.501 176.600 0.038 0.000 1.085 382 E CA 2.191 58.664 56.400 0.122 0.000 0.979 382 E CB -0.450 29.280 29.700 0.050 0.000 0.845 382 E HN 0.213 nan 8.360 nan 0.000 0.483 383 L N -0.322 120.869 121.223 -0.053 0.000 1.956 383 L HA -0.249 4.091 4.340 -0.000 0.000 0.216 383 L C 2.660 179.498 176.870 -0.052 0.000 1.073 383 L CA 1.561 56.372 54.840 -0.047 0.000 0.762 383 L CB -0.645 41.372 42.059 -0.070 0.000 0.889 383 L HN 0.284 nan 8.230 nan 0.000 0.433 384 L N -0.483 120.686 121.223 -0.091 0.000 2.051 384 L HA -0.293 4.047 4.340 -0.000 0.000 0.214 384 L C 2.655 179.460 176.870 -0.110 0.000 1.076 384 L CA 2.313 57.098 54.840 -0.091 0.000 0.758 384 L CB -0.291 41.692 42.059 -0.127 0.000 0.890 384 L HN 0.597 nan 8.230 nan 0.000 0.433 385 T N -5.615 108.793 114.554 -0.243 0.000 3.042 385 T HA -0.043 4.307 4.350 -0.000 0.000 0.245 385 T C 1.550 176.064 174.700 -0.311 0.000 1.029 385 T CA 0.179 62.031 62.100 -0.414 0.000 1.120 385 T CB -0.452 67.730 68.868 -1.143 0.000 0.917 385 T HN 0.195 nan 8.240 nan 0.000 0.467 386 Y N 1.935 122.173 120.300 -0.103 0.000 2.301 386 Y HA 0.482 5.032 4.550 -0.000 0.000 0.295 386 Y C 2.482 178.375 175.900 -0.011 0.000 1.119 386 Y CA 0.592 58.684 58.100 -0.012 0.000 1.162 386 Y CB -0.200 38.239 38.460 -0.034 0.000 1.046 386 Y HN 0.503 nan 8.280 nan 0.000 0.538 387 G N -1.031 107.838 108.800 0.116 0.000 2.705 387 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.193 387 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.193 387 G C 0.562 175.475 174.900 0.021 0.000 1.015 387 G CA 0.026 45.160 45.100 0.057 0.000 0.743 387 G HN 0.296 nan 8.290 nan 0.000 0.476 388 R N -0.486 120.021 120.500 0.012 0.000 3.519 388 R HA 0.790 5.130 4.340 -0.000 0.000 0.258 388 R C -1.130 175.128 176.300 -0.071 0.000 1.147 388 R CA -0.628 55.448 56.100 -0.040 0.000 0.950 388 R CB 0.199 30.462 30.300 -0.061 0.000 1.538 388 R HN 0.350 nan 8.270 nan 0.000 0.427 389 R N 0.747 121.171 120.500 -0.127 0.000 2.589 389 R HA 0.542 4.882 4.340 -0.000 0.000 0.293 389 R C -0.730 175.392 176.300 -0.297 0.000 0.963 389 R CA -0.730 55.263 56.100 -0.178 0.000 0.905 389 R CB 0.829 31.038 30.300 -0.152 0.000 1.144 389 R HN 0.585 nan 8.270 nan 0.000 0.459 390 I N 6.600 126.900 120.570 -0.451 0.000 2.328 390 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 390 I C -2.108 173.668 176.117 -0.568 0.000 1.012 390 I CA -2.579 58.280 61.300 -0.735 0.000 1.195 390 I CB 1.248 38.322 38.000 -1.543 0.000 1.350 390 I HN 0.545 nan 8.210 nan 0.000 0.464 391 P HA 0.211 nan 4.420 nan 0.000 0.275 391 P C 1.076 178.284 177.300 -0.153 0.000 1.227 391 P CA -0.422 62.551 63.100 -0.212 0.000 0.781 391 P CB 1.734 33.333 31.700 -0.168 0.000 0.906 392 L N 1.402 122.611 121.223 -0.023 0.000 2.051 392 L HA -0.245 4.095 4.340 -0.000 0.000 0.214 392 L C 2.646 179.533 176.870 0.028 0.000 1.076 392 L CA 1.962 56.854 54.840 0.086 0.000 0.758 392 L CB -0.846 41.255 42.059 0.070 0.000 0.890 392 L HN 0.543 nan 8.230 nan 0.000 0.433 393 E N 0.169 120.336 120.200 -0.055 0.000 2.187 393 E HA -0.304 4.046 4.350 -0.000 0.000 0.199 393 E C 2.009 178.576 176.600 -0.055 0.000 1.004 393 E CA 1.792 58.145 56.400 -0.078 0.000 0.813 393 E CB 0.081 29.722 29.700 -0.099 0.000 0.736 393 E HN 0.554 nan 8.360 nan 0.000 0.468 394 E N -0.396 119.749 120.200 -0.092 0.000 2.024 394 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 394 E C 1.821 178.438 176.600 0.029 0.000 0.974 394 E CA 0.679 57.014 56.400 -0.110 0.000 0.810 394 E CB -0.420 29.116 29.700 -0.274 0.000 0.775 394 E HN 0.399 nan 8.360 nan 0.000 0.453 395 W N 1.331 122.595 121.300 -0.061 0.000 2.255 395 W HA -0.349 4.311 4.660 -0.000 0.000 0.318 395 W C 2.334 178.840 176.519 -0.021 0.000 1.277 395 W CA 0.950 58.269 57.345 -0.044 0.000 1.286 395 W CB -0.203 29.239 29.460 -0.030 0.000 1.132 395 W HN 0.359 nan 8.180 nan 0.000 0.504 396 E N 1.005 121.350 120.200 0.241 0.000 2.028 396 E HA -0.338 4.012 4.350 -0.000 0.000 0.217 396 E C 1.736 178.407 176.600 0.118 0.000 1.039 396 E CA 2.273 58.763 56.400 0.149 0.000 0.882 396 E CB -0.746 29.004 29.700 0.084 0.000 0.794 396 E HN 0.162 nan 8.360 nan 0.000 0.488 397 E N 0.166 120.413 120.200 0.079 0.000 2.035 397 E HA -0.268 4.082 4.350 -0.000 0.000 0.204 397 E C 2.121 178.766 176.600 0.074 0.000 1.025 397 E CA 2.016 58.450 56.400 0.057 0.000 0.835 397 E CB -0.285 29.429 29.700 0.025 0.000 0.764 397 E HN 0.179 nan 8.360 nan 0.000 0.457 398 R N -0.368 120.193 120.500 0.103 0.000 2.191 398 R HA -0.215 4.125 4.340 -0.000 0.000 0.248 398 R C 2.428 178.788 176.300 0.100 0.000 1.127 398 R CA 1.993 58.169 56.100 0.127 0.000 0.943 398 R CB -1.457 29.002 30.300 0.266 0.000 0.891 398 R HN 0.487 nan 8.270 nan 0.000 0.439 399 L N -3.001 118.285 121.223 0.105 0.000 2.700 399 L HA 0.485 4.825 4.340 -0.000 0.000 0.234 399 L C 1.345 178.244 176.870 0.049 0.000 1.156 399 L CA 0.899 55.771 54.840 0.053 0.000 0.946 399 L CB 0.509 42.577 42.059 0.014 0.000 1.216 399 L HN -0.033 nan 8.230 nan 0.000 0.493 400 A N -0.231 122.626 122.820 0.061 0.000 2.348 400 A HA 0.622 4.942 4.320 -0.000 0.000 0.224 400 A C 1.470 179.078 177.584 0.041 0.000 1.227 400 A CA 0.608 52.679 52.037 0.057 0.000 0.885 400 A CB -0.334 18.710 19.000 0.073 0.000 0.933 400 A HN 0.488 nan 8.150 nan 0.000 0.506 401 E N -0.488 119.733 120.200 0.035 0.000 2.887 401 E HA 0.500 4.850 4.350 -0.000 0.000 0.206 401 E C -0.421 176.190 176.600 0.018 0.000 0.983 401 E CA 0.014 56.429 56.400 0.025 0.000 1.141 401 E CB -0.032 29.681 29.700 0.023 0.000 1.061 401 E HN 0.227 nan 8.360 nan 0.000 0.468 402 V N 3.492 123.416 119.914 0.017 0.000 2.385 402 V HA 0.295 4.415 4.120 -0.000 0.000 0.269 402 V C 0.031 176.128 176.094 0.006 0.000 1.043 402 V CA -0.689 61.616 62.300 0.008 0.000 0.906 402 V CB 0.910 32.736 31.823 0.005 0.000 0.995 402 V HN 0.664 nan 8.190 nan 0.000 0.467 403 D N 4.657 125.058 120.400 0.001 0.000 2.549 403 D HA 0.478 5.118 4.640 -0.000 0.000 0.270 403 D C 1.059 177.354 176.300 -0.008 0.000 1.181 403 D CA -0.040 53.960 54.000 -0.001 0.000 1.070 403 D CB 2.091 42.890 40.800 -0.002 0.000 1.154 403 D HN 0.352 nan 8.370 nan 0.000 0.602 404 A N 0.435 123.249 122.820 -0.011 0.000 1.834 404 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 404 A C 2.251 179.819 177.584 -0.027 0.000 1.203 404 A CA 2.261 54.287 52.037 -0.019 0.000 0.621 404 A CB -1.006 17.982 19.000 -0.019 0.000 0.841 404 A HN 0.723 nan 8.150 nan 0.000 0.446 405 R N -1.110 119.375 120.500 -0.025 0.000 2.204 405 R HA -0.222 4.118 4.340 -0.000 0.000 0.253 405 R C 2.109 178.391 176.300 -0.029 0.000 1.172 405 R CA 2.026 58.108 56.100 -0.029 0.000 0.994 405 R CB -0.332 29.955 30.300 -0.022 0.000 0.874 405 R HN 0.654 nan 8.270 nan 0.000 0.462 406 M N -0.576 119.010 119.600 -0.023 0.000 2.156 406 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 406 M C 1.859 178.139 176.300 -0.034 0.000 1.067 406 M CA 1.252 56.539 55.300 -0.021 0.000 1.131 406 M CB 0.241 32.833 32.600 -0.013 0.000 1.368 406 M HN 0.074 nan 8.290 nan 0.000 0.416 407 V N 0.661 120.551 119.914 -0.039 0.000 2.237 407 V HA -0.307 3.813 4.120 -0.000 0.000 0.245 407 V C 2.237 178.289 176.094 -0.069 0.000 1.046 407 V CA 2.011 64.278 62.300 -0.054 0.000 1.007 407 V CB -0.853 30.946 31.823 -0.041 0.000 0.638 407 V HN 0.476 nan 8.190 nan 0.000 0.445 408 R N -0.152 120.308 120.500 -0.066 0.000 2.148 408 R HA -0.251 4.088 4.340 -0.000 0.000 0.230 408 R C 2.328 178.582 176.300 -0.076 0.000 1.120 408 R CA 2.105 58.155 56.100 -0.083 0.000 0.902 408 R CB -0.646 29.602 30.300 -0.087 0.000 0.839 408 R HN 0.398 nan 8.270 nan 0.000 0.431 409 E N -0.032 120.133 120.200 -0.059 0.000 2.172 409 E HA -0.241 4.109 4.350 -0.000 0.000 0.213 409 E C 1.895 178.482 176.600 -0.022 0.000 1.051 409 E CA 1.795 58.170 56.400 -0.041 0.000 0.860 409 E CB -0.349 29.336 29.700 -0.024 0.000 0.755 409 E HN 0.165 nan 8.360 nan 0.000 0.462 410 V N -0.726 119.173 119.914 -0.025 0.000 2.256 410 V HA -0.270 3.850 4.120 -0.000 0.000 0.240 410 V C 2.449 178.527 176.094 -0.027 0.000 1.036 410 V CA 1.625 63.926 62.300 0.003 0.000 1.008 410 V CB -0.632 31.146 31.823 -0.074 0.000 0.648 410 V HN 0.410 nan 8.190 nan 0.000 0.453 411 C N 1.243 120.456 119.300 -0.145 0.000 2.363 411 C HA -0.226 4.234 4.460 -0.000 0.000 0.274 411 C C 3.262 178.181 174.990 -0.118 0.000 1.183 411 C CA 1.876 60.761 59.018 -0.221 0.000 1.771 411 C CB -1.386 26.244 27.740 -0.182 0.000 2.059 411 C HN 0.780 nan 8.230 nan 0.000 0.455 412 S N 1.037 116.694 115.700 -0.073 0.000 2.400 412 S HA -0.266 4.204 4.470 -0.000 0.000 0.232 412 S C 1.749 176.350 174.600 0.002 0.000 1.025 412 S CA 1.779 59.961 58.200 -0.029 0.000 0.993 412 S CB -0.580 62.553 63.200 -0.112 0.000 0.808 412 S HN 0.780 nan 8.310 nan 0.000 0.478 413 K N 0.106 120.503 120.400 -0.005 0.000 2.147 413 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 413 K C 1.091 177.583 176.600 -0.180 0.000 1.049 413 K CA 1.290 57.543 56.287 -0.056 0.000 0.936 413 K CB -0.175 32.319 32.500 -0.010 0.000 0.722 413 K HN 0.525 nan 8.250 nan 0.000 0.446 414 Y N -0.672 119.499 120.300 -0.216 0.000 2.442 414 Y HA 0.228 4.778 4.550 -0.000 0.000 0.250 414 Y C 1.500 177.234 175.900 -0.276 0.000 1.113 414 Y CA -0.077 57.855 58.100 -0.279 0.000 1.273 414 Y CB 0.570 38.774 38.460 -0.426 0.000 1.138 414 Y HN -0.029 nan 8.280 nan 0.000 0.522 415 I N -2.776 117.735 120.570 -0.099 0.000 3.443 415 I HA -0.027 4.143 4.170 -0.000 0.000 0.277 415 I C 0.077 176.210 176.117 0.026 0.000 1.169 415 I CA -0.189 61.029 61.300 -0.137 0.000 1.419 415 I CB -0.027 37.802 38.000 -0.284 0.000 1.331 415 I HN -0.178 nan 8.210 nan 0.000 0.458 416 Y N 4.027 124.306 120.300 -0.036 0.000 2.805 416 Y HA -0.166 4.384 4.550 -0.000 0.000 0.331 416 Y C 0.843 176.788 175.900 0.075 0.000 1.241 416 Y CA 0.503 58.628 58.100 0.042 0.000 1.546 416 Y CB -0.191 38.289 38.460 0.033 0.000 1.248 416 Y HN 0.218 nan 8.280 nan 0.000 0.559 417 D N 2.587 122.777 120.400 -0.351 0.000 2.737 417 D HA -0.236 4.404 4.640 -0.000 0.000 0.233 417 D C -0.864 175.435 176.300 -0.001 0.000 1.155 417 D CA 0.790 54.708 54.000 -0.138 0.000 0.667 417 D CB -0.504 40.233 40.800 -0.104 0.000 1.060 417 D HN 0.572 nan 8.370 nan 0.000 0.427 418 Q N -0.524 119.283 119.800 0.011 0.000 2.226 418 Q HA 0.410 4.750 4.340 -0.000 0.000 0.256 418 Q C 0.016 176.072 176.000 0.093 0.000 0.962 418 Q CA -0.459 55.370 55.803 0.044 0.000 0.887 418 Q CB 1.721 30.466 28.738 0.011 0.000 1.282 418 Q HN 0.295 nan 8.270 nan 0.000 0.449 419 C N 4.508 123.896 119.300 0.146 0.000 2.289 419 C HA 0.300 4.760 4.460 -0.000 0.000 0.340 419 C C -1.406 173.762 174.990 0.296 0.000 1.152 419 C CA -1.073 58.075 59.018 0.217 0.000 1.650 419 C CB -0.912 26.955 27.740 0.212 0.000 2.203 419 C HN 0.535 nan 8.230 nan 0.000 0.511 420 P HA 0.332 nan 4.420 nan 0.000 0.274 420 P C -0.815 176.667 177.300 0.302 0.000 1.260 420 P CA -0.036 63.235 63.100 0.284 0.000 0.793 420 P CB 0.962 32.765 31.700 0.173 0.000 1.048 421 A N 0.859 123.826 122.820 0.245 0.000 2.363 421 A HA 0.496 4.816 4.320 -0.000 0.000 0.296 421 A C -0.650 176.969 177.584 0.059 0.000 1.237 421 A CA -0.688 51.404 52.037 0.091 0.000 0.773 421 A CB 0.673 19.643 19.000 -0.051 0.000 1.153 421 A HN 0.377 nan 8.150 nan 0.000 0.473 422 V N 1.874 121.829 119.914 0.067 0.000 2.850 422 V HA 0.937 5.057 4.120 -0.000 0.000 0.315 422 V C 0.044 176.130 176.094 -0.014 0.000 1.064 422 V CA 0.181 62.480 62.300 -0.001 0.000 0.979 422 V CB 1.866 33.692 31.823 0.006 0.000 1.039 422 V HN 1.628 nan 8.190 nan 0.000 0.452 423 A N 3.103 125.900 122.820 -0.039 0.000 2.520 423 A HA 0.909 5.229 4.320 -0.000 0.000 0.298 423 A C -0.426 177.157 177.584 -0.001 0.000 1.051 423 A CA -0.001 52.028 52.037 -0.014 0.000 0.690 423 A CB 1.929 20.934 19.000 0.009 0.000 1.281 423 A HN 1.745 nan 8.150 nan 0.000 0.402 424 G N 1.984 110.802 108.800 0.030 0.000 2.608 424 G HA2 0.660 4.620 3.960 -0.000 0.000 0.285 424 G HA3 0.660 4.620 3.960 -0.000 0.000 0.285 424 G C -3.639 171.317 174.900 0.092 0.000 1.407 424 G CA -1.067 44.068 45.100 0.059 0.000 1.276 424 G HN 0.479 nan 8.290 nan 0.000 0.587 425 P HA 0.835 nan 4.420 nan 0.000 0.292 425 P C 0.547 177.930 177.300 0.139 0.000 1.308 425 P CA 0.175 63.381 63.100 0.177 0.000 0.933 425 P CB 2.368 34.227 31.700 0.266 0.000 1.217 426 G N 1.414 110.275 108.800 0.102 0.000 2.582 426 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.222 426 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.222 426 G C -2.787 172.139 174.900 0.043 0.000 1.311 426 G CA -0.816 44.321 45.100 0.062 0.000 0.915 426 G HN 0.518 nan 8.290 nan 0.000 0.528 427 P HA 0.281 nan 4.420 nan 0.000 0.256 427 P C 0.799 178.119 177.300 0.032 0.000 1.688 427 P CA 0.268 63.383 63.100 0.025 0.000 1.162 427 P CB -0.865 30.846 31.700 0.017 0.000 1.870 428 I N -0.871 119.721 120.570 0.036 0.000 3.816 428 I HA 0.265 4.435 4.170 -0.000 0.000 0.334 428 I C 1.408 177.547 176.117 0.037 0.000 1.551 428 I CA -0.439 60.888 61.300 0.044 0.000 1.153 428 I CB -0.124 37.904 38.000 0.047 0.000 1.197 428 I HN 0.068 nan 8.210 nan 0.000 0.439 429 E N 1.883 122.100 120.200 0.028 0.000 2.160 429 E HA -0.299 4.051 4.350 -0.000 0.000 0.195 429 E C 1.986 178.600 176.600 0.023 0.000 0.991 429 E CA 1.401 57.814 56.400 0.022 0.000 0.810 429 E CB 0.065 29.774 29.700 0.015 0.000 0.742 429 E HN 0.762 nan 8.360 nan 0.000 0.466 430 Q N 0.169 119.986 119.800 0.028 0.000 2.435 430 Q HA 0.032 4.372 4.340 -0.000 0.000 0.207 430 Q C 0.497 176.521 176.000 0.040 0.000 0.956 430 Q CA -0.114 55.705 55.803 0.027 0.000 0.917 430 Q CB 0.129 28.882 28.738 0.024 0.000 0.997 430 Q HN 0.298 nan 8.270 nan 0.000 0.497 431 L N 3.766 125.022 121.223 0.054 0.000 2.456 431 L HA 0.200 4.539 4.340 -0.000 0.000 0.277 431 L C -1.895 175.003 176.870 0.047 0.000 1.124 431 L CA -1.561 53.319 54.840 0.068 0.000 0.880 431 L CB 0.576 42.682 42.059 0.078 0.000 1.192 431 L HN 0.121 nan 8.230 nan 0.000 0.463 432 P HA -0.047 nan 4.420 nan 0.000 0.271 432 P C -0.740 176.577 177.300 0.028 0.000 1.233 432 P CA -0.284 62.832 63.100 0.026 0.000 0.795 432 P CB 0.395 32.107 31.700 0.021 0.000 0.936 433 D N -0.001 120.416 120.400 0.028 0.000 2.369 433 D HA -0.123 4.516 4.640 -0.000 0.000 0.241 433 D C 1.014 177.348 176.300 0.057 0.000 1.271 433 D CA -0.230 53.802 54.000 0.052 0.000 0.942 433 D CB 0.274 41.107 40.800 0.055 0.000 1.129 433 D HN 0.356 nan 8.370 nan 0.000 0.476 434 Y N 0.975 121.269 120.300 -0.010 0.000 2.097 434 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 434 Y C 2.240 178.133 175.900 -0.013 0.000 1.152 434 Y CA 2.080 60.171 58.100 -0.014 0.000 1.136 434 Y CB -0.474 37.973 38.460 -0.022 0.000 0.975 434 Y HN 0.373 nan 8.280 nan 0.000 0.498 435 N N 0.197 118.976 118.700 0.133 0.000 2.069 435 N HA -0.252 4.488 4.740 -0.000 0.000 0.196 435 N C 1.873 177.341 175.510 -0.070 0.000 1.024 435 N CA 1.742 54.823 53.050 0.052 0.000 0.869 435 N CB -0.290 38.240 38.487 0.072 0.000 1.035 435 N HN 0.351 nan 8.380 nan 0.000 0.434 436 R N 1.268 121.729 120.500 -0.065 0.000 2.061 436 R HA -0.036 4.304 4.340 -0.000 0.000 0.230 436 R C 2.457 178.666 176.300 -0.151 0.000 1.140 436 R CA 0.841 56.892 56.100 -0.082 0.000 0.940 436 R CB -1.209 29.072 30.300 -0.032 0.000 0.839 436 R HN 0.501 nan 8.270 nan 0.000 0.429 437 I N -0.618 119.843 120.570 -0.183 0.000 2.530 437 I HA -0.177 3.993 4.170 -0.000 0.000 0.257 437 I C 2.407 178.333 176.117 -0.318 0.000 1.179 437 I CA 1.248 62.419 61.300 -0.214 0.000 1.440 437 I CB -0.202 37.666 38.000 -0.220 0.000 1.087 437 I HN -0.074 nan 8.210 nan 0.000 0.440 438 R N 2.292 122.538 120.500 -0.423 0.000 2.062 438 R HA -0.090 4.249 4.340 -0.000 0.000 0.231 438 R C 2.325 178.412 176.300 -0.355 0.000 1.136 438 R CA 2.139 58.004 56.100 -0.392 0.000 0.948 438 R CB -0.872 29.242 30.300 -0.309 0.000 0.845 438 R HN 0.638 nan 8.270 nan 0.000 0.430 439 S N -0.814 114.646 115.700 -0.400 0.000 2.803 439 S HA 0.065 4.535 4.470 -0.000 0.000 0.226 439 S C 1.265 175.366 174.600 -0.831 0.000 0.962 439 S CA 0.361 58.061 58.200 -0.834 0.000 0.968 439 S CB 0.041 62.966 63.200 -0.458 0.000 0.786 439 S HN 0.387 nan 8.310 nan 0.000 0.527 440 G N 0.532 109.056 108.800 -0.460 0.000 3.434 440 G HA2 0.325 4.285 3.960 -0.000 0.000 0.258 440 G HA3 0.325 4.285 3.960 -0.000 0.000 0.258 440 G C 0.779 175.560 174.900 -0.199 0.000 1.128 440 G CA -0.315 44.623 45.100 -0.271 0.000 0.792 440 G HN 0.440 nan 8.290 nan 0.000 0.539 441 M N 0.512 119.910 119.600 -0.337 0.000 2.333 441 M HA 0.358 4.838 4.480 -0.000 0.000 0.257 441 M C -0.471 175.690 176.300 -0.232 0.000 1.078 441 M CA -0.018 55.187 55.300 -0.158 0.000 1.005 441 M CB -0.111 32.419 32.600 -0.117 0.000 1.444 441 M HN 0.291 nan 8.290 nan 0.000 0.496 442 F N -2.363 117.494 119.950 -0.155 0.000 2.547 442 F HA 0.651 5.178 4.527 -0.000 0.000 0.316 442 F C -1.190 174.728 175.800 0.196 0.000 1.121 442 F CA -2.136 55.711 58.000 -0.255 0.000 0.911 442 F CB 0.066 38.846 39.000 -0.366 0.000 1.179 442 F HN -0.088 nan 8.300 nan 0.000 0.443 443 W N 4.773 126.368 121.300 0.491 0.000 2.261 443 W HA 0.551 5.211 4.660 -0.000 0.000 0.323 443 W C -0.297 176.421 176.519 0.331 0.000 1.243 443 W CA -1.052 56.498 57.345 0.342 0.000 1.210 443 W CB 1.434 31.069 29.460 0.292 0.000 1.149 443 W HN 0.513 nan 8.180 nan 0.000 0.562 444 L N 6.605 127.887 121.223 0.097 0.000 2.650 444 L HA 0.165 4.505 4.340 -0.000 0.000 0.239 444 L C 1.115 177.967 176.870 -0.029 0.000 1.412 444 L CA 0.149 55.010 54.840 0.034 0.000 1.219 444 L CB -1.589 40.430 42.059 -0.066 0.000 1.534 444 L HN 0.272 nan 8.230 nan 0.000 0.430 445 R N 0.000 120.627 120.500 0.212 0.000 2.786 445 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 445 R CA 0.000 56.264 56.100 0.273 0.000 0.921 445 R CB 0.000 30.487 30.300 0.312 0.000 0.687 445 R HN 0.000 nan 8.270 nan 0.000 0.535