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 2j6l_1_B DATA FIRST_RESID 3 DATA SEQUENCE STLLINQPQY AWLKELGLRE ENEGVYNGSW GGRGEVITTY CPANNEPIAR DATA SEQUENCE VRQASVADYE ETVKKAREAW KIWADIPAPK RGEIVRQIGD ALREKIQVLG DATA SEQUENCE SLVSLEMGKI LVEGVGEVQE YVDICDYAVG LSRMIGGPIL PSERSGHALI DATA SEQUENCE EQWNPVGLVG IITAFNFPVA VYGWNNAIAM ICGNVCLWKG APTTSLISVA DATA SEQUENCE VTKIIAKVLE DNKLPGAICS LTCGGADIGT AMAKDERVNL LSFTGSTQVG DATA SEQUENCE KQVGLMVQER FGRSLLELGG NNAIIAFEDA DLSLVVPSAL FAAVGTAGQR DATA SEQUENCE CTTARRLFIH ESIHDEVVNR LKKAYAQIRV GNPWDPNVLY GPLHTKQAVS DATA SEQUENCE MFLGAVEEAK KEGGTVVYGG KVMDRPGNYV EPTIVTGLGH DASIAHTETF DATA SEQUENCE APILYVFKFQ NEEEVFAWNN EVKQGLSSSI FTKDLGRIFR WLGPKGSDCG DATA SEQUENCE IVNVNIPTSG AEIGGAFGGE KHTGGGRESG SDAWKQYMRR STCTINYS 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.573 174.600 -0.045 0.000 1.055 3 S CA 0.000 58.179 58.200 -0.035 0.000 1.107 3 S CB 0.000 63.190 63.200 -0.018 0.000 0.593 4 T N 3.124 117.643 114.554 -0.058 0.000 2.777 4 T HA 0.266 4.617 4.350 0.001 0.000 0.266 4 T C 0.654 175.281 174.700 -0.121 0.000 1.040 4 T CA 0.846 62.903 62.100 -0.071 0.000 1.141 4 T CB -0.357 68.472 68.868 -0.065 0.000 0.868 4 T HN 0.397 nan 8.240 nan 0.000 0.444 5 L N 2.188 123.325 121.223 -0.143 0.000 2.367 5 L HA 0.220 4.560 4.340 0.001 0.000 0.275 5 L C 1.476 178.213 176.870 -0.221 0.000 1.129 5 L CA -0.418 54.299 54.840 -0.206 0.000 0.839 5 L CB 0.752 42.696 42.059 -0.192 0.000 1.133 5 L HN 0.189 nan 8.230 nan 0.000 0.453 6 L N 3.392 124.417 121.223 -0.330 0.000 2.081 6 L HA -0.251 4.090 4.340 0.001 0.000 0.212 6 L C 2.214 178.879 176.870 -0.342 0.000 1.080 6 L CA 1.485 56.049 54.840 -0.460 0.000 0.754 6 L CB -0.293 41.226 42.059 -0.900 0.000 0.893 6 L HN 0.697 nan 8.230 nan 0.000 0.433 7 I N 0.198 120.575 120.570 -0.322 0.000 2.567 7 I HA -0.238 3.932 4.170 0.001 0.000 0.257 7 I C 1.577 177.591 176.117 -0.171 0.000 1.184 7 I CA 1.096 62.235 61.300 -0.267 0.000 1.451 7 I CB -0.070 37.774 38.000 -0.260 0.000 1.089 7 I HN 0.314 nan 8.210 nan 0.000 0.441 8 N N 0.864 119.481 118.700 -0.137 0.000 2.270 8 N HA 0.085 4.826 4.740 0.001 0.000 0.198 8 N C -0.355 175.125 175.510 -0.050 0.000 1.117 8 N CA 0.208 53.204 53.050 -0.091 0.000 0.845 8 N CB 0.268 38.703 38.487 -0.086 0.000 0.980 8 N HN 0.511 nan 8.380 nan 0.000 0.486 9 Q N 0.146 119.936 119.800 -0.017 0.000 2.256 9 Q HA 0.268 4.608 4.340 0.001 0.000 0.257 9 Q C -1.698 174.322 176.000 0.033 0.000 0.936 9 Q CA -1.824 54.006 55.803 0.045 0.000 0.903 9 Q CB 1.695 30.522 28.738 0.149 0.000 1.263 9 Q HN -0.039 nan 8.270 nan 0.000 0.440 10 P HA -0.243 nan 4.420 nan 0.000 0.218 10 P C 1.030 178.292 177.300 -0.063 0.000 1.148 10 P CA 1.191 64.274 63.100 -0.028 0.000 0.822 10 P CB 0.232 31.920 31.700 -0.020 0.000 0.784 11 Q N -1.328 118.394 119.800 -0.131 0.000 2.488 11 Q HA -0.137 4.203 4.340 0.001 0.000 0.211 11 Q C 0.310 176.058 176.000 -0.420 0.000 0.967 11 Q CA 1.405 57.046 55.803 -0.269 0.000 0.926 11 Q CB -0.764 27.758 28.738 -0.360 0.000 0.992 11 Q HN 0.377 nan 8.270 nan 0.000 0.506 12 Y N -0.195 120.009 120.300 -0.159 0.000 2.696 12 Y HA 0.518 5.068 4.550 0.001 0.000 0.260 12 Y C 1.823 177.304 175.900 -0.697 0.000 1.165 12 Y CA -0.079 57.682 58.100 -0.565 0.000 1.189 12 Y CB 0.360 38.471 38.460 -0.582 0.000 1.180 12 Y HN 0.180 nan 8.280 nan 0.000 0.538 13 A N 1.087 123.771 122.820 -0.225 0.000 2.070 13 A HA -0.154 4.166 4.320 0.001 0.000 0.220 13 A C 1.857 179.371 177.584 -0.117 0.000 1.159 13 A CA 1.279 53.225 52.037 -0.151 0.000 0.656 13 A CB -0.956 18.017 19.000 -0.046 0.000 0.800 13 A HN 0.832 nan 8.150 nan 0.000 0.453 14 W N -0.235 121.053 121.300 -0.020 0.000 2.364 14 W HA -0.139 4.521 4.660 0.001 0.000 0.281 14 W C 1.132 177.636 176.519 -0.024 0.000 1.219 14 W CA 0.720 58.052 57.345 -0.022 0.000 1.220 14 W CB -1.134 28.312 29.460 -0.023 0.000 1.127 14 W HN 0.255 nan 8.180 nan 0.000 0.556 15 L N 1.594 122.502 121.223 -0.524 0.000 2.127 15 L HA -0.223 4.117 4.340 0.001 0.000 0.211 15 L C 2.657 179.432 176.870 -0.158 0.000 1.089 15 L CA 1.790 56.371 54.840 -0.431 0.000 0.757 15 L CB -0.641 41.032 42.059 -0.643 0.000 0.899 15 L HN -0.062 nan 8.230 nan 0.000 0.434 16 K N -0.118 120.201 120.400 -0.134 0.000 2.283 16 K HA -0.142 4.178 4.320 0.001 0.000 0.202 16 K C 1.708 178.288 176.600 -0.034 0.000 1.048 16 K CA 0.840 57.075 56.287 -0.087 0.000 0.948 16 K CB -0.081 32.369 32.500 -0.083 0.000 0.742 16 K HN 0.426 nan 8.250 nan 0.000 0.458 17 E N 0.782 120.995 120.200 0.022 0.000 2.333 17 E HA -0.127 4.223 4.350 0.001 0.000 0.198 17 E C 1.303 177.924 176.600 0.034 0.000 1.007 17 E CA 0.668 57.095 56.400 0.046 0.000 0.845 17 E CB -0.017 29.745 29.700 0.103 0.000 0.766 17 E HN 0.305 nan 8.360 nan 0.000 0.507 18 L N -0.449 120.791 121.223 0.027 0.000 2.611 18 L HA 0.185 4.526 4.340 0.001 0.000 0.229 18 L C 1.299 178.140 176.870 -0.047 0.000 1.137 18 L CA 0.197 55.044 54.840 0.010 0.000 0.901 18 L CB 0.279 42.360 42.059 0.036 0.000 1.098 18 L HN 0.233 nan 8.230 nan 0.000 0.456 19 G N 0.344 109.101 108.800 -0.072 0.000 2.159 19 G HA2 -0.273 3.687 3.960 0.001 0.000 0.256 19 G HA3 -0.273 3.687 3.960 0.001 0.000 0.256 19 G C 0.247 175.051 174.900 -0.160 0.000 0.977 19 G CA -0.158 44.869 45.100 -0.122 0.000 0.652 19 G HN 0.224 nan 8.290 nan 0.000 0.531 20 L N -0.085 121.054 121.223 -0.140 0.000 2.417 20 L HA 0.670 5.011 4.340 0.001 0.000 0.268 20 L C 1.196 177.972 176.870 -0.157 0.000 1.158 20 L CA -0.398 54.347 54.840 -0.158 0.000 0.819 20 L CB 0.791 42.757 42.059 -0.154 0.000 1.112 20 L HN 0.234 nan 8.230 nan 0.000 0.458 21 R N 0.482 120.888 120.500 -0.157 0.000 2.987 21 R HA 0.197 4.537 4.340 0.001 0.000 0.248 21 R C 0.582 176.798 176.300 -0.139 0.000 1.264 21 R CA -0.850 55.166 56.100 -0.141 0.000 1.026 21 R CB 1.104 31.328 30.300 -0.128 0.000 1.286 21 R HN 0.603 nan 8.270 nan 0.000 0.483 22 E N 0.961 121.086 120.200 -0.124 0.000 2.070 22 E HA -0.221 4.129 4.350 0.001 0.000 0.197 22 E C -0.230 176.302 176.600 -0.112 0.000 1.004 22 E CA 1.582 57.909 56.400 -0.121 0.000 0.805 22 E CB 0.274 29.914 29.700 -0.100 0.000 0.744 22 E HN 0.397 nan 8.360 nan 0.000 0.451 23 E N -0.111 120.030 120.200 -0.098 0.000 2.234 23 E HA 0.268 4.618 4.350 0.001 0.000 0.266 23 E C -1.510 175.036 176.600 -0.089 0.000 0.877 23 E CA -0.778 55.572 56.400 -0.083 0.000 0.758 23 E CB 1.057 30.720 29.700 -0.062 0.000 1.170 23 E HN 0.113 nan 8.360 nan 0.000 0.415 24 N N 3.028 121.679 118.700 -0.082 0.000 2.238 24 N HA 0.200 4.941 4.740 0.001 0.000 0.302 24 N C -1.270 174.220 175.510 -0.034 0.000 1.072 24 N CA -0.698 52.294 53.050 -0.097 0.000 0.792 24 N CB 1.876 40.291 38.487 -0.119 0.000 1.425 24 N HN 0.452 nan 8.380 nan 0.000 0.478 25 E N 0.072 120.265 120.200 -0.012 0.000 2.376 25 E HA 0.232 4.582 4.350 0.001 0.000 0.266 25 E C 0.905 177.654 176.600 0.249 0.000 1.009 25 E CA 0.068 56.554 56.400 0.143 0.000 0.902 25 E CB 0.564 30.430 29.700 0.276 0.000 0.972 25 E HN 0.753 nan 8.360 nan 0.000 0.439 26 G N 2.176 111.092 108.800 0.192 0.000 3.393 26 G HA2 0.209 4.169 3.960 0.001 0.000 0.255 26 G HA3 0.209 4.169 3.960 0.001 0.000 0.255 26 G C -0.381 174.602 174.900 0.139 0.000 1.097 26 G CA -0.182 45.014 45.100 0.160 0.000 0.780 26 G HN 0.314 nan 8.290 nan 0.000 0.540 27 V N 0.637 120.657 119.914 0.177 0.000 2.495 27 V HA 0.555 4.675 4.120 0.001 0.000 0.298 27 V C -1.323 174.754 176.094 -0.029 0.000 1.031 27 V CA -1.042 61.297 62.300 0.065 0.000 0.871 27 V CB 1.556 33.407 31.823 0.046 0.000 0.988 27 V HN 0.257 nan 8.190 nan 0.000 0.432 28 Y N 5.057 125.125 120.300 -0.386 0.000 2.386 28 Y HA 0.598 5.148 4.550 0.001 0.000 0.334 28 Y C -0.020 175.639 175.900 -0.402 0.000 1.002 28 Y CA -1.112 56.548 58.100 -0.733 0.000 1.068 28 Y CB 2.054 39.706 38.460 -1.347 0.000 1.203 28 Y HN 0.741 nan 8.280 nan 0.000 0.443 29 N N 2.639 120.739 118.700 -1.000 0.000 2.471 29 N HA 0.377 5.117 4.740 0.001 0.000 0.270 29 N C 0.561 175.580 175.510 -0.820 0.000 1.490 29 N CA 0.092 52.692 53.050 -0.751 0.000 0.850 29 N CB 1.045 39.309 38.487 -0.371 0.000 1.411 29 N HN 1.001 nan 8.380 nan 0.000 0.488 30 G N -0.665 107.256 108.800 -1.465 0.000 2.349 30 G HA2 -0.236 3.724 3.960 0.001 0.000 0.213 30 G HA3 -0.236 3.724 3.960 0.001 0.000 0.213 30 G C -0.143 174.509 174.900 -0.413 0.000 1.044 30 G CA 0.165 44.828 45.100 -0.728 0.000 0.633 30 G HN 0.447 nan 8.290 nan 0.000 0.506 31 S N -0.042 115.412 115.700 -0.411 0.000 2.537 31 S HA 0.678 5.148 4.470 0.001 0.000 0.301 31 S C -0.871 173.653 174.600 -0.126 0.000 1.092 31 S CA -0.512 57.618 58.200 -0.116 0.000 1.048 31 S CB 1.338 64.501 63.200 -0.062 0.000 1.053 31 S HN 0.358 nan 8.310 nan 0.000 0.501 32 W N 0.954 122.332 121.300 0.130 0.000 2.438 32 W HA 0.660 5.320 4.660 0.001 0.000 0.324 32 W C 0.723 177.281 176.519 0.065 0.000 1.119 32 W CA 0.090 57.523 57.345 0.147 0.000 1.221 32 W CB 1.383 30.930 29.460 0.145 0.000 1.253 32 W HN 0.921 nan 8.180 nan 0.000 0.555 33 G N -0.051 108.930 108.800 0.302 0.000 2.588 33 G HA2 0.591 4.552 3.960 0.001 0.000 0.281 33 G HA3 0.591 4.552 3.960 0.001 0.000 0.281 33 G C -0.650 174.338 174.900 0.146 0.000 1.223 33 G CA -0.177 45.028 45.100 0.175 0.000 0.871 33 G HN 1.088 nan 8.290 nan 0.000 0.492 34 G N -0.900 107.953 108.800 0.089 0.000 2.308 34 G HA2 0.275 4.235 3.960 0.001 0.000 0.182 34 G HA3 0.275 4.235 3.960 0.001 0.000 0.182 34 G C -0.121 174.808 174.900 0.049 0.000 1.488 34 G CA -0.294 44.848 45.100 0.069 0.000 1.144 34 G HN 0.636 nan 8.290 nan 0.000 0.608 35 R N 0.584 121.108 120.500 0.041 0.000 2.362 35 R HA 0.277 4.618 4.340 0.001 0.000 0.227 35 R C 1.747 178.062 176.300 0.026 0.000 0.905 35 R CA 0.418 56.536 56.100 0.031 0.000 1.067 35 R CB 0.926 31.243 30.300 0.029 0.000 1.078 35 R HN 0.578 nan 8.270 nan 0.000 0.516 36 G N 0.575 109.392 108.800 0.027 0.000 2.509 36 G HA2 0.083 4.043 3.960 0.001 0.000 0.269 36 G HA3 0.083 4.043 3.960 0.001 0.000 0.269 36 G C -0.536 174.373 174.900 0.014 0.000 1.416 36 G CA -0.585 44.527 45.100 0.020 0.000 1.052 36 G HN 0.091 nan 8.290 nan 0.000 0.542 37 E N -0.876 119.329 120.200 0.009 0.000 2.384 37 E HA 0.237 4.587 4.350 0.001 0.000 0.266 37 E C -0.342 176.260 176.600 0.004 0.000 1.012 37 E CA -0.223 56.180 56.400 0.005 0.000 0.901 37 E CB 1.391 31.092 29.700 0.002 0.000 0.967 37 E HN 0.046 nan 8.360 nan 0.000 0.435 38 V N 4.866 124.781 119.914 0.001 0.000 2.530 38 V HA 0.126 4.246 4.120 0.001 0.000 0.282 38 V C 0.124 176.217 176.094 -0.002 0.000 1.048 38 V CA -0.143 62.155 62.300 -0.003 0.000 0.997 38 V CB 0.726 32.545 31.823 -0.007 0.000 0.987 38 V HN 0.500 nan 8.190 nan 0.000 0.477 39 I N 4.250 124.817 120.570 -0.005 0.000 2.493 39 I HA 0.507 4.677 4.170 0.001 0.000 0.298 39 I C 0.242 176.357 176.117 -0.003 0.000 0.998 39 I CA 0.472 61.773 61.300 0.003 0.000 1.137 39 I CB 2.243 40.243 38.000 0.000 0.000 1.310 39 I HN 0.660 nan 8.210 nan 0.000 0.445 40 T N 5.168 119.737 114.554 0.025 0.000 2.779 40 T HA 0.452 4.803 4.350 0.001 0.000 0.280 40 T C -0.170 174.568 174.700 0.064 0.000 0.987 40 T CA -0.563 61.535 62.100 -0.004 0.000 0.966 40 T CB 0.762 69.621 68.868 -0.015 0.000 0.933 40 T HN 0.721 nan 8.240 nan 0.000 0.442 41 T N 1.089 115.625 114.554 -0.030 0.000 2.922 41 T HA 0.664 5.014 4.350 0.001 0.000 0.285 41 T C -0.958 173.703 174.700 -0.064 0.000 1.005 41 T CA -0.595 61.522 62.100 0.029 0.000 1.061 41 T CB 0.591 69.451 68.868 -0.014 0.000 1.007 41 T HN 0.392 nan 8.240 nan 0.000 0.502 42 Y N 0.034 120.259 120.300 -0.125 0.000 2.485 42 Y HA 0.499 5.050 4.550 0.001 0.000 0.345 42 Y C 0.559 176.382 175.900 -0.128 0.000 0.998 42 Y CA -1.547 56.475 58.100 -0.130 0.000 1.059 42 Y CB 1.513 39.898 38.460 -0.126 0.000 1.234 42 Y HN 1.028 nan 8.280 nan 0.000 0.461 43 C N 6.968 126.267 119.300 -0.002 0.000 2.555 43 C HA 0.224 4.684 4.460 0.001 0.000 0.385 43 C C -0.947 174.085 174.990 0.070 0.000 1.296 43 C CA -1.713 57.313 59.018 0.014 0.000 1.757 43 C CB -0.308 27.406 27.740 -0.042 0.000 2.445 43 C HN 0.663 nan 8.230 nan 0.000 0.571 44 P HA -0.045 nan 4.420 nan 0.000 0.226 44 P C 1.158 178.464 177.300 0.011 0.000 1.153 44 P CA 1.620 64.706 63.100 -0.023 0.000 0.777 44 P CB 0.057 31.703 31.700 -0.090 0.000 0.794 45 A N 1.010 123.913 122.820 0.138 0.000 2.016 45 A HA -0.112 4.209 4.320 0.001 0.000 0.217 45 A C 1.565 179.329 177.584 0.299 0.000 1.162 45 A CA 1.601 53.777 52.037 0.231 0.000 0.662 45 A CB -0.889 18.320 19.000 0.349 0.000 0.812 45 A HN 0.386 nan 8.150 nan 0.000 0.450 46 N N -3.189 115.657 118.700 0.244 0.000 2.082 46 N HA 0.049 4.789 4.740 0.001 0.000 0.228 46 N C -0.134 175.460 175.510 0.140 0.000 1.341 46 N CA 0.331 53.502 53.050 0.201 0.000 0.873 46 N CB -1.018 37.607 38.487 0.231 0.000 1.137 46 N HN 0.346 nan 8.380 nan 0.000 0.505 47 N N -0.045 118.733 118.700 0.129 0.000 2.714 47 N HA -0.209 4.531 4.740 0.001 0.000 0.250 47 N C -1.331 174.316 175.510 0.227 0.000 1.117 47 N CA 0.989 54.128 53.050 0.147 0.000 0.719 47 N CB -0.964 37.575 38.487 0.087 0.000 1.081 47 N HN 0.590 nan 8.380 nan 0.000 0.557 48 E N 0.525 120.796 120.200 0.119 0.000 2.214 48 E HA 0.302 4.652 4.350 0.001 0.000 0.274 48 E C -2.354 174.064 176.600 -0.302 0.000 0.977 48 E CA -2.051 54.337 56.400 -0.021 0.000 0.827 48 E CB 1.234 30.890 29.700 -0.072 0.000 1.130 48 E HN 0.045 nan 8.360 nan 0.000 0.394 49 P HA 0.071 nan 4.420 nan 0.000 0.276 49 P C -0.006 176.959 177.300 -0.560 0.000 1.230 49 P CA 0.261 62.744 63.100 -1.028 0.000 0.776 49 P CB 1.044 32.179 31.700 -0.941 0.000 0.888 50 I N 1.613 121.891 120.570 -0.487 0.000 2.499 50 I HA 0.216 4.387 4.170 0.001 0.000 0.243 50 I C 1.226 177.147 176.117 -0.327 0.000 1.085 50 I CA 0.933 61.995 61.300 -0.395 0.000 1.422 50 I CB -0.141 37.657 38.000 -0.338 0.000 1.165 50 I HN 0.440 nan 8.210 nan 0.000 0.440 51 A N 0.014 122.670 122.820 -0.274 0.000 2.456 51 A HA 0.672 4.992 4.320 0.001 0.000 0.294 51 A C -1.227 176.257 177.584 -0.166 0.000 1.057 51 A CA -0.737 51.174 52.037 -0.210 0.000 0.623 51 A CB 0.942 19.823 19.000 -0.198 0.000 1.338 51 A HN 0.054 nan 8.150 nan 0.000 0.464 52 R N -0.575 119.848 120.500 -0.127 0.000 2.778 52 R HA 0.747 5.087 4.340 0.001 0.000 0.277 52 R C -1.542 174.715 176.300 -0.073 0.000 0.977 52 R CA -0.805 55.241 56.100 -0.090 0.000 0.950 52 R CB 2.259 32.515 30.300 -0.074 0.000 1.165 52 R HN 0.457 nan 8.270 nan 0.000 0.474 53 V N 2.462 122.346 119.914 -0.050 0.000 2.577 53 V HA 0.373 4.493 4.120 0.001 0.000 0.303 53 V C -0.307 175.780 176.094 -0.013 0.000 1.042 53 V CA -0.978 61.302 62.300 -0.033 0.000 0.872 53 V CB 2.009 33.810 31.823 -0.036 0.000 0.998 53 V HN 0.655 nan 8.190 nan 0.000 0.423 54 R N 3.825 124.327 120.500 0.004 0.000 2.242 54 R HA 0.388 4.729 4.340 0.001 0.000 0.334 54 R C -0.129 176.189 176.300 0.030 0.000 1.071 54 R CA -0.310 55.800 56.100 0.018 0.000 0.922 54 R CB 0.780 31.096 30.300 0.028 0.000 1.023 54 R HN 0.680 nan 8.270 nan 0.000 0.458 55 Q N 1.043 120.854 119.800 0.019 0.000 2.308 55 Q HA 0.391 4.732 4.340 0.001 0.000 0.207 55 Q C -0.065 175.955 176.000 0.032 0.000 1.035 55 Q CA -0.660 55.154 55.803 0.019 0.000 1.008 55 Q CB 0.779 29.520 28.738 0.005 0.000 1.168 55 Q HN 0.640 nan 8.270 nan 0.000 0.565 56 A N 1.055 123.898 122.820 0.037 0.000 2.409 56 A HA 0.349 4.669 4.320 0.001 0.000 0.262 56 A C 0.101 177.715 177.584 0.050 0.000 1.113 56 A CA -0.385 51.686 52.037 0.057 0.000 0.790 56 A CB 0.110 19.163 19.000 0.089 0.000 1.046 56 A HN 0.653 nan 8.150 nan 0.000 0.496 57 S N 1.922 117.653 115.700 0.053 0.000 2.655 57 S HA 0.295 4.765 4.470 0.001 0.000 0.265 57 S C 1.189 175.834 174.600 0.075 0.000 1.240 57 S CA -0.095 58.133 58.200 0.047 0.000 0.986 57 S CB 0.744 63.968 63.200 0.039 0.000 0.985 57 S HN 0.697 nan 8.310 nan 0.000 0.562 58 V N 1.528 121.478 119.914 0.060 0.000 2.332 58 V HA -0.206 3.914 4.120 0.001 0.000 0.248 58 V C 3.014 179.184 176.094 0.127 0.000 1.055 58 V CA 2.439 64.794 62.300 0.091 0.000 1.038 58 V CB -1.871 29.983 31.823 0.051 0.000 0.651 58 V HN 1.004 nan 8.190 nan 0.000 0.450 59 A N -0.198 122.669 122.820 0.078 0.000 1.902 59 A HA -0.260 4.061 4.320 0.001 0.000 0.217 59 A C 2.008 179.626 177.584 0.056 0.000 1.181 59 A CA 2.036 54.109 52.037 0.059 0.000 0.623 59 A CB -0.612 18.410 19.000 0.037 0.000 0.818 59 A HN 0.559 nan 8.150 nan 0.000 0.443 60 D N -1.588 118.851 120.400 0.065 0.000 2.097 60 D HA -0.170 4.471 4.640 0.001 0.000 0.195 60 D C 1.697 178.027 176.300 0.051 0.000 0.989 60 D CA 1.649 55.678 54.000 0.048 0.000 0.827 60 D CB -0.540 40.295 40.800 0.057 0.000 0.966 60 D HN 0.606 nan 8.370 nan 0.000 0.456 61 Y N 2.115 122.414 120.300 -0.002 0.000 2.128 61 Y HA -0.236 4.314 4.550 0.001 0.000 0.284 61 Y C 2.167 178.067 175.900 0.000 0.000 1.154 61 Y CA 1.704 59.805 58.100 0.002 0.000 1.149 61 Y CB 0.014 38.479 38.460 0.009 0.000 0.976 61 Y HN -0.151 nan 8.280 nan 0.000 0.505 62 E N 0.216 120.421 120.200 0.008 0.000 2.051 62 E HA -0.255 4.095 4.350 0.001 0.000 0.192 62 E C 2.129 178.657 176.600 -0.120 0.000 0.991 62 E CA 1.611 57.975 56.400 -0.060 0.000 0.799 62 E CB -0.416 29.311 29.700 0.046 0.000 0.748 62 E HN 0.591 nan 8.360 nan 0.000 0.449 63 E N 0.337 120.490 120.200 -0.078 0.000 2.110 63 E HA -0.121 4.229 4.350 0.001 0.000 0.193 63 E C 1.941 178.467 176.600 -0.125 0.000 0.988 63 E CA 1.793 58.145 56.400 -0.080 0.000 0.804 63 E CB -0.184 29.484 29.700 -0.053 0.000 0.745 63 E HN 0.095 nan 8.360 nan 0.000 0.458 64 T N -0.363 114.091 114.554 -0.167 0.000 2.812 64 T HA -0.076 4.275 4.350 0.001 0.000 0.264 64 T C 1.860 176.433 174.700 -0.211 0.000 1.042 64 T CA 1.203 63.190 62.100 -0.189 0.000 1.140 64 T CB -0.264 68.496 68.868 -0.179 0.000 0.870 64 T HN 0.013 nan 8.240 nan 0.000 0.445 65 V N 1.583 121.304 119.914 -0.321 0.000 2.343 65 V HA -0.204 3.916 4.120 0.001 0.000 0.247 65 V C 2.430 178.441 176.094 -0.139 0.000 1.051 65 V CA 1.645 63.783 62.300 -0.270 0.000 1.036 65 V CB -0.497 31.095 31.823 -0.385 0.000 0.654 65 V HN 0.467 nan 8.190 nan 0.000 0.451 66 K N 0.013 120.340 120.400 -0.121 0.000 2.026 66 K HA -0.185 4.135 4.320 0.001 0.000 0.208 66 K C 2.245 178.819 176.600 -0.044 0.000 1.048 66 K CA 1.518 57.767 56.287 -0.062 0.000 0.929 66 K CB -0.231 32.238 32.500 -0.052 0.000 0.713 66 K HN 0.416 nan 8.250 nan 0.000 0.439 67 K N 0.392 120.750 120.400 -0.069 0.000 2.097 67 K HA -0.080 4.240 4.320 0.001 0.000 0.205 67 K C 2.212 178.787 176.600 -0.042 0.000 1.050 67 K CA 1.127 57.376 56.287 -0.064 0.000 0.938 67 K CB -0.110 32.324 32.500 -0.110 0.000 0.718 67 K HN 0.129 nan 8.250 nan 0.000 0.442 68 A N 1.701 124.492 122.820 -0.049 0.000 1.902 68 A HA -0.167 4.153 4.320 0.001 0.000 0.217 68 A C 2.041 179.676 177.584 0.085 0.000 1.181 68 A CA 1.282 53.318 52.037 -0.002 0.000 0.623 68 A CB -0.334 18.657 19.000 -0.015 0.000 0.818 68 A HN 0.196 nan 8.150 nan 0.000 0.443 69 R N -0.770 119.768 120.500 0.064 0.000 2.115 69 R HA -0.053 4.287 4.340 0.001 0.000 0.226 69 R C 1.961 178.374 176.300 0.189 0.000 1.100 69 R CA 1.060 57.234 56.100 0.123 0.000 0.980 69 R CB -0.172 30.153 30.300 0.042 0.000 0.875 69 R HN 0.462 nan 8.270 nan 0.000 0.445 70 E N 0.831 121.099 120.200 0.112 0.000 2.072 70 E HA -0.112 4.239 4.350 0.001 0.000 0.191 70 E C 1.989 178.663 176.600 0.125 0.000 0.985 70 E CA 1.272 57.736 56.400 0.106 0.000 0.801 70 E CB -0.191 29.539 29.700 0.050 0.000 0.750 70 E HN 0.284 nan 8.360 nan 0.000 0.452 71 A N 0.401 123.285 122.820 0.107 0.000 1.978 71 A HA -0.190 4.130 4.320 0.001 0.000 0.220 71 A C 2.012 179.708 177.584 0.186 0.000 1.170 71 A CA 1.403 53.501 52.037 0.101 0.000 0.636 71 A CB -1.094 17.928 19.000 0.036 0.000 0.810 71 A HN 0.449 nan 8.150 nan 0.000 0.448 72 W N 1.046 122.404 121.300 0.096 0.000 2.374 72 W HA -0.169 4.492 4.660 0.001 0.000 0.288 72 W C 1.927 178.542 176.519 0.161 0.000 1.218 72 W CA 2.006 59.452 57.345 0.167 0.000 1.245 72 W CB 0.014 29.554 29.460 0.133 0.000 1.126 72 W HN 0.281 nan 8.180 nan 0.000 0.545 73 K N -0.254 120.203 120.400 0.095 0.000 2.097 73 K HA -0.167 4.153 4.320 0.001 0.000 0.206 73 K C 1.856 178.347 176.600 -0.183 0.000 1.049 73 K CA 1.831 58.059 56.287 -0.098 0.000 0.933 73 K CB -0.425 32.123 32.500 0.079 0.000 0.717 73 K HN 0.281 nan 8.250 nan 0.000 0.442 74 I N -0.213 120.321 120.570 -0.059 0.000 2.277 74 I HA -0.223 3.947 4.170 0.001 0.000 0.243 74 I C 2.367 178.472 176.117 -0.020 0.000 1.094 74 I CA 0.870 62.155 61.300 -0.025 0.000 1.393 74 I CB -0.269 37.760 38.000 0.048 0.000 1.078 74 I HN 0.380 nan 8.210 nan 0.000 0.417 75 W N 2.089 123.259 121.300 -0.217 0.000 2.358 75 W HA -0.232 4.429 4.660 0.001 0.000 0.303 75 W C 2.427 178.767 176.519 -0.298 0.000 1.208 75 W CA 1.444 58.671 57.345 -0.196 0.000 1.274 75 W CB 0.079 29.472 29.460 -0.111 0.000 1.138 75 W HN 0.131 nan 8.180 nan 0.000 0.515 76 A N 0.202 122.677 122.820 -0.574 0.000 2.067 76 A HA -0.188 4.132 4.320 0.001 0.000 0.219 76 A C 1.378 178.680 177.584 -0.469 0.000 1.158 76 A CA 1.842 53.462 52.037 -0.696 0.000 0.661 76 A CB -0.769 17.458 19.000 -1.288 0.000 0.801 76 A HN 0.207 nan 8.150 nan 0.000 0.452 77 D N -0.388 119.785 120.400 -0.378 0.000 2.355 77 D HA 0.116 4.756 4.640 0.001 0.000 0.218 77 D C 0.396 176.559 176.300 -0.228 0.000 1.004 77 D CA 0.276 54.127 54.000 -0.248 0.000 0.880 77 D CB -0.031 40.662 40.800 -0.178 0.000 0.911 77 D HN 0.443 nan 8.370 nan 0.000 0.528 78 I N 2.154 122.541 120.570 -0.305 0.000 2.416 78 I HA 0.128 4.299 4.170 0.001 0.000 0.288 78 I C -2.036 173.884 176.117 -0.328 0.000 1.051 78 I CA -1.947 59.173 61.300 -0.299 0.000 1.375 78 I CB 0.952 38.731 38.000 -0.367 0.000 1.407 78 I HN -0.340 nan 8.210 nan 0.000 0.516 79 P HA -0.051 nan 4.420 nan 0.000 0.265 79 P C 0.369 177.524 177.300 -0.242 0.000 1.187 79 P CA 0.122 63.103 63.100 -0.198 0.000 0.766 79 P CB 0.775 32.392 31.700 -0.138 0.000 0.820 80 A N 6.033 128.722 122.820 -0.220 0.000 1.908 80 A HA -0.135 4.185 4.320 0.001 0.000 0.218 80 A C -0.456 177.013 177.584 -0.191 0.000 1.181 80 A CA 1.873 53.773 52.037 -0.230 0.000 0.627 80 A CB -2.402 16.480 19.000 -0.197 0.000 0.818 80 A HN 0.483 nan 8.150 nan 0.000 0.445 81 P HA -0.139 nan 4.420 nan 0.000 0.218 81 P C 1.098 178.336 177.300 -0.103 0.000 1.148 81 P CA 1.453 64.481 63.100 -0.119 0.000 0.822 81 P CB -0.047 31.592 31.700 -0.101 0.000 0.784 82 K N -0.587 119.741 120.400 -0.121 0.000 2.167 82 K HA 0.001 4.321 4.320 0.001 0.000 0.203 82 K C 2.194 178.738 176.600 -0.094 0.000 1.052 82 K CA 0.795 57.026 56.287 -0.094 0.000 0.956 82 K CB -0.154 32.287 32.500 -0.098 0.000 0.735 82 K HN 0.087 nan 8.250 nan 0.000 0.451 83 R N 0.207 120.577 120.500 -0.216 0.000 2.096 83 R HA -0.091 4.249 4.340 0.001 0.000 0.235 83 R C 2.470 178.790 176.300 0.033 0.000 1.127 83 R CA 1.356 57.333 56.100 -0.206 0.000 0.968 83 R CB -0.549 29.433 30.300 -0.531 0.000 0.861 83 R HN 0.282 nan 8.270 nan 0.000 0.440 84 G N 1.433 110.211 108.800 -0.036 0.000 2.440 84 G HA2 -0.352 3.609 3.960 0.001 0.000 0.218 84 G HA3 -0.352 3.609 3.960 0.001 0.000 0.218 84 G C 1.348 176.259 174.900 0.018 0.000 1.154 84 G CA 1.056 46.148 45.100 -0.014 0.000 0.767 84 G HN 0.324 nan 8.290 nan 0.000 0.552 85 E N 0.544 120.752 120.200 0.013 0.000 2.153 85 E HA -0.110 4.240 4.350 0.001 0.000 0.194 85 E C 2.355 178.990 176.600 0.059 0.000 0.988 85 E CA 0.668 57.083 56.400 0.024 0.000 0.811 85 E CB -0.266 29.441 29.700 0.011 0.000 0.746 85 E HN 0.330 nan 8.360 nan 0.000 0.466 86 I N 0.315 120.953 120.570 0.113 0.000 2.252 86 I HA -0.182 3.989 4.170 0.001 0.000 0.245 86 I C 2.318 178.501 176.117 0.110 0.000 1.102 86 I CA 0.718 62.105 61.300 0.146 0.000 1.385 86 I CB -1.194 36.975 38.000 0.280 0.000 1.064 86 I HN 0.088 nan 8.210 nan 0.000 0.414 87 V N 1.061 121.048 119.914 0.122 0.000 2.407 87 V HA -0.255 3.866 4.120 0.001 0.000 0.248 87 V C 2.766 178.887 176.094 0.045 0.000 1.055 87 V CA 1.760 64.112 62.300 0.088 0.000 1.049 87 V CB -0.839 31.044 31.823 0.100 0.000 0.662 87 V HN 0.400 nan 8.190 nan 0.000 0.455 88 R N -0.074 120.448 120.500 0.037 0.000 2.083 88 R HA -0.232 4.108 4.340 0.001 0.000 0.237 88 R C 2.379 178.685 176.300 0.009 0.000 1.137 88 R CA 2.089 58.200 56.100 0.019 0.000 0.951 88 R CB -0.221 30.087 30.300 0.014 0.000 0.851 88 R HN 0.592 nan 8.270 nan 0.000 0.434 89 Q N -0.003 119.807 119.800 0.017 0.000 2.119 89 Q HA -0.119 4.222 4.340 0.001 0.000 0.201 89 Q C 2.229 178.223 176.000 -0.010 0.000 0.972 89 Q CA 1.495 57.304 55.803 0.009 0.000 0.847 89 Q CB -0.042 28.709 28.738 0.022 0.000 0.903 89 Q HN 0.448 nan 8.270 nan 0.000 0.433 90 I N 0.426 120.987 120.570 -0.015 0.000 2.208 90 I HA -0.241 3.929 4.170 0.001 0.000 0.245 90 I C 2.339 178.379 176.117 -0.129 0.000 1.097 90 I CA 1.236 62.496 61.300 -0.066 0.000 1.363 90 I CB -0.671 37.295 38.000 -0.057 0.000 1.051 90 I HN 0.287 nan 8.210 nan 0.000 0.413 91 G N 0.459 109.202 108.800 -0.095 0.000 2.446 91 G HA2 -0.265 3.695 3.960 0.001 0.000 0.217 91 G HA3 -0.265 3.695 3.960 0.001 0.000 0.217 91 G C 1.290 176.149 174.900 -0.069 0.000 1.168 91 G CA 1.071 46.114 45.100 -0.095 0.000 0.771 91 G HN 0.287 nan 8.290 nan 0.000 0.551 92 D N 0.839 121.215 120.400 -0.040 0.000 2.144 92 D HA -0.004 4.636 4.640 0.001 0.000 0.199 92 D C 2.812 179.094 176.300 -0.030 0.000 0.984 92 D CA 1.140 55.125 54.000 -0.025 0.000 0.834 92 D CB -0.379 40.414 40.800 -0.011 0.000 0.955 92 D HN 0.306 nan 8.370 nan 0.000 0.465 93 A N 0.516 123.312 122.820 -0.040 0.000 1.930 93 A HA -0.098 4.223 4.320 0.001 0.000 0.217 93 A C 2.375 179.931 177.584 -0.046 0.000 1.175 93 A CA 0.802 52.819 52.037 -0.034 0.000 0.627 93 A CB -0.688 18.294 19.000 -0.030 0.000 0.815 93 A HN 0.196 nan 8.150 nan 0.000 0.443 94 L N -1.260 119.908 121.223 -0.091 0.000 2.046 94 L HA -0.157 4.184 4.340 0.001 0.000 0.208 94 L C 2.789 179.633 176.870 -0.045 0.000 1.077 94 L CA 1.391 56.173 54.840 -0.097 0.000 0.747 94 L CB -0.466 41.465 42.059 -0.214 0.000 0.896 94 L HN 0.339 nan 8.230 nan 0.000 0.432 95 R N -0.037 120.439 120.500 -0.039 0.000 2.103 95 R HA -0.185 4.155 4.340 0.001 0.000 0.242 95 R C 2.216 178.512 176.300 -0.006 0.000 1.142 95 R CA 1.453 57.544 56.100 -0.015 0.000 0.960 95 R CB -0.162 30.131 30.300 -0.011 0.000 0.858 95 R HN 0.393 nan 8.270 nan 0.000 0.439 96 E N -0.001 120.195 120.200 -0.008 0.000 2.204 96 E HA -0.143 4.207 4.350 0.001 0.000 0.195 96 E C 0.998 177.602 176.600 0.006 0.000 0.990 96 E CA 0.897 57.297 56.400 -0.000 0.000 0.821 96 E CB 0.212 29.911 29.700 -0.001 0.000 0.750 96 E HN 0.141 nan 8.360 nan 0.000 0.477 97 K N 0.318 120.722 120.400 0.008 0.000 2.455 97 K HA 0.179 4.500 4.320 0.001 0.000 0.206 97 K C 1.599 178.214 176.600 0.025 0.000 1.027 97 K CA -0.219 56.081 56.287 0.021 0.000 1.113 97 K CB 0.407 32.924 32.500 0.029 0.000 0.850 97 K HN 0.125 nan 8.250 nan 0.000 0.503 98 I N 1.082 121.661 120.570 0.015 0.000 2.226 98 I HA -0.313 3.857 4.170 0.001 0.000 0.245 98 I C 1.908 178.032 176.117 0.013 0.000 1.100 98 I CA 1.567 62.879 61.300 0.020 0.000 1.374 98 I CB 0.390 38.400 38.000 0.016 0.000 1.057 98 I HN 0.103 nan 8.210 nan 0.000 0.413 99 Q N -0.138 119.659 119.800 -0.006 0.000 2.079 99 Q HA -0.160 4.180 4.340 0.001 0.000 0.200 99 Q C 2.360 178.318 176.000 -0.070 0.000 0.974 99 Q CA 1.810 57.590 55.803 -0.038 0.000 0.840 99 Q CB -0.805 27.902 28.738 -0.052 0.000 0.898 99 Q HN 0.540 nan 8.270 nan 0.000 0.430 100 V N 0.759 120.653 119.914 -0.033 0.000 2.453 100 V HA -0.170 3.950 4.120 0.001 0.000 0.247 100 V C 2.159 178.305 176.094 0.086 0.000 1.048 100 V CA 1.108 63.407 62.300 -0.001 0.000 1.049 100 V CB -0.310 31.585 31.823 0.121 0.000 0.672 100 V HN 0.257 nan 8.190 nan 0.000 0.457 101 L N 1.292 122.567 121.223 0.086 0.000 2.093 101 L HA 0.135 4.475 4.340 0.001 0.000 0.208 101 L C 2.371 179.298 176.870 0.097 0.000 1.085 101 L CA 2.446 57.353 54.840 0.112 0.000 0.755 101 L CB -1.419 40.699 42.059 0.099 0.000 0.904 101 L HN 0.312 nan 8.230 nan 0.000 0.435 102 G N -1.395 107.439 108.800 0.056 0.000 2.440 102 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 102 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 102 G C 1.592 176.517 174.900 0.042 0.000 1.154 102 G CA 0.987 46.115 45.100 0.047 0.000 0.767 102 G HN 0.482 nan 8.290 nan 0.000 0.552 103 S N 0.194 115.873 115.700 -0.035 0.000 2.382 103 S HA -0.095 4.376 4.470 0.001 0.000 0.228 103 S C 2.152 176.832 174.600 0.133 0.000 1.027 103 S CA 1.114 59.247 58.200 -0.113 0.000 0.991 103 S CB -0.251 62.537 63.200 -0.687 0.000 0.823 103 S HN 0.291 nan 8.310 nan 0.000 0.469 104 L N 2.037 123.425 121.223 0.276 0.000 2.083 104 L HA -0.029 4.311 4.340 0.001 0.000 0.209 104 L C 2.098 179.078 176.870 0.185 0.000 1.083 104 L CA 1.469 56.499 54.840 0.317 0.000 0.752 104 L CB -0.704 41.509 42.059 0.258 0.000 0.899 104 L HN 0.112 nan 8.230 nan 0.000 0.433 105 V N -0.675 119.327 119.914 0.146 0.000 2.287 105 V HA -0.313 3.807 4.120 0.001 0.000 0.248 105 V C 2.591 178.764 176.094 0.133 0.000 1.053 105 V CA 2.050 64.418 62.300 0.113 0.000 1.027 105 V CB -0.971 30.899 31.823 0.077 0.000 0.646 105 V HN 0.543 nan 8.190 nan 0.000 0.447 106 S N -0.286 115.515 115.700 0.169 0.000 2.383 106 S HA -0.135 4.335 4.470 0.001 0.000 0.227 106 S C 1.818 176.633 174.600 0.357 0.000 1.026 106 S CA 1.576 59.924 58.200 0.247 0.000 0.981 106 S CB -0.317 63.068 63.200 0.307 0.000 0.818 106 S HN 0.444 nan 8.310 nan 0.000 0.472 107 L N 1.461 122.856 121.223 0.287 0.000 2.044 107 L HA 0.057 4.397 4.340 0.001 0.000 0.205 107 L C 2.266 179.196 176.870 0.099 0.000 1.075 107 L CA 1.798 56.717 54.840 0.131 0.000 0.747 107 L CB -0.352 41.686 42.059 -0.035 0.000 0.903 107 L HN 0.259 nan 8.230 nan 0.000 0.435 108 E N -1.514 118.745 120.200 0.097 0.000 2.140 108 E HA -0.142 4.208 4.350 0.001 0.000 0.191 108 E C 2.093 178.803 176.600 0.184 0.000 0.973 108 E CA 0.532 56.982 56.400 0.083 0.000 0.829 108 E CB 0.036 29.772 29.700 0.060 0.000 0.781 108 E HN 0.411 nan 8.360 nan 0.000 0.466 109 M N -0.949 118.776 119.600 0.209 0.000 2.429 109 M HA 0.100 4.580 4.480 0.001 0.000 0.265 109 M C 1.294 177.760 176.300 0.276 0.000 1.120 109 M CA 2.027 57.495 55.300 0.281 0.000 1.173 109 M CB 0.684 33.360 32.600 0.128 0.000 1.343 109 M HN 0.293 nan 8.290 nan 0.000 0.464 110 G N 1.634 110.537 108.800 0.171 0.000 2.192 110 G HA2 -0.203 3.757 3.960 0.001 0.000 0.193 110 G HA3 -0.203 3.757 3.960 0.001 0.000 0.193 110 G C 0.145 175.051 174.900 0.010 0.000 0.999 110 G CA 0.366 45.527 45.100 0.102 0.000 0.659 110 G HN 0.592 nan 8.290 nan 0.000 0.503 111 K N 1.474 121.871 120.400 -0.004 0.000 2.168 111 K HA 0.661 4.982 4.320 0.001 0.000 0.258 111 K C 1.264 177.855 176.600 -0.016 0.000 1.010 111 K CA -0.410 55.837 56.287 -0.066 0.000 0.929 111 K CB 1.275 33.698 32.500 -0.129 0.000 0.998 111 K HN 0.768 nan 8.250 nan 0.000 0.479 112 I N -0.258 120.291 120.570 -0.034 0.000 2.993 112 I HA -0.073 4.097 4.170 0.001 0.000 0.286 112 I C 1.172 177.306 176.117 0.030 0.000 1.215 112 I CA -0.680 60.620 61.300 -0.001 0.000 1.393 112 I CB 0.345 38.342 38.000 -0.004 0.000 1.371 112 I HN 0.716 nan 8.210 nan 0.000 0.602 113 L N 4.512 125.759 121.223 0.040 0.000 2.042 113 L HA -0.139 4.201 4.340 0.001 0.000 0.210 113 L C 2.206 179.100 176.870 0.040 0.000 1.076 113 L CA 1.892 56.762 54.840 0.049 0.000 0.749 113 L CB -0.464 41.618 42.059 0.040 0.000 0.893 113 L HN 0.711 nan 8.230 nan 0.000 0.432 114 V N -0.620 119.318 119.914 0.040 0.000 2.568 114 V HA -0.280 3.841 4.120 0.001 0.000 0.253 114 V C 2.321 178.454 176.094 0.065 0.000 1.072 114 V CA 2.172 64.502 62.300 0.050 0.000 1.084 114 V CB -0.300 31.556 31.823 0.055 0.000 0.676 114 V HN 0.638 nan 8.190 nan 0.000 0.469 115 E N -0.315 119.921 120.200 0.060 0.000 2.122 115 E HA -0.011 4.340 4.350 0.001 0.000 0.190 115 E C 2.173 178.797 176.600 0.039 0.000 0.977 115 E CA 0.867 57.303 56.400 0.060 0.000 0.820 115 E CB -0.438 29.277 29.700 0.025 0.000 0.770 115 E HN 0.679 nan 8.360 nan 0.000 0.462 116 G N 1.376 110.194 108.800 0.030 0.000 2.421 116 G HA2 -0.239 3.721 3.960 0.001 0.000 0.216 116 G HA3 -0.239 3.721 3.960 0.001 0.000 0.216 116 G C 1.765 176.698 174.900 0.055 0.000 1.171 116 G CA 0.746 45.869 45.100 0.038 0.000 0.775 116 G HN 0.098 nan 8.290 nan 0.000 0.543 117 V N 1.729 121.673 119.914 0.050 0.000 2.332 117 V HA -0.131 3.990 4.120 0.001 0.000 0.248 117 V C 3.169 179.304 176.094 0.067 0.000 1.055 117 V CA 2.101 64.430 62.300 0.049 0.000 1.038 117 V CB -1.143 30.701 31.823 0.034 0.000 0.651 117 V HN 0.455 nan 8.190 nan 0.000 0.450 118 G N -0.914 107.933 108.800 0.077 0.000 2.442 118 G HA2 -0.265 3.696 3.960 0.001 0.000 0.219 118 G HA3 -0.265 3.696 3.960 0.001 0.000 0.219 118 G C 1.489 176.461 174.900 0.120 0.000 1.141 118 G CA 0.965 46.125 45.100 0.100 0.000 0.763 118 G HN 0.570 nan 8.290 nan 0.000 0.554 119 E N -0.208 120.062 120.200 0.116 0.000 2.077 119 E HA -0.087 4.264 4.350 0.001 0.000 0.193 119 E C 2.795 179.471 176.600 0.127 0.000 0.989 119 E CA 1.035 57.509 56.400 0.123 0.000 0.800 119 E CB -0.101 29.659 29.700 0.100 0.000 0.746 119 E HN 0.334 nan 8.360 nan 0.000 0.452 120 V N 1.134 121.122 119.914 0.123 0.000 2.343 120 V HA -0.270 3.851 4.120 0.001 0.000 0.247 120 V C 2.401 178.570 176.094 0.125 0.000 1.051 120 V CA 1.872 64.253 62.300 0.135 0.000 1.036 120 V CB -0.523 31.357 31.823 0.095 0.000 0.654 120 V HN 0.196 nan 8.190 nan 0.000 0.451 121 Q N 0.166 120.028 119.800 0.103 0.000 2.124 121 Q HA -0.201 4.139 4.340 0.001 0.000 0.202 121 Q C 2.204 178.279 176.000 0.126 0.000 0.977 121 Q CA 1.671 57.531 55.803 0.094 0.000 0.850 121 Q CB -0.301 28.484 28.738 0.078 0.000 0.901 121 Q HN 0.591 nan 8.270 nan 0.000 0.429 122 E N -0.922 119.370 120.200 0.155 0.000 2.051 122 E HA -0.189 4.161 4.350 0.001 0.000 0.192 122 E C 1.731 178.484 176.600 0.256 0.000 0.991 122 E CA 1.053 57.574 56.400 0.203 0.000 0.799 122 E CB -0.395 29.443 29.700 0.230 0.000 0.748 122 E HN 0.440 nan 8.360 nan 0.000 0.449 123 Y N 1.615 121.948 120.300 0.055 0.000 2.145 123 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 123 Y C 2.369 178.299 175.900 0.050 0.000 1.145 123 Y CA 0.611 58.729 58.100 0.030 0.000 1.148 123 Y CB -0.660 37.793 38.460 -0.010 0.000 0.981 123 Y HN -0.210 nan 8.280 nan 0.000 0.507 124 V N 0.669 120.670 119.914 0.146 0.000 2.282 124 V HA -0.324 3.797 4.120 0.001 0.000 0.249 124 V C 2.190 178.343 176.094 0.098 0.000 1.057 124 V CA 2.318 64.646 62.300 0.047 0.000 1.032 124 V CB -0.639 31.199 31.823 0.026 0.000 0.645 124 V HN 0.299 nan 8.190 nan 0.000 0.447 125 D N -0.568 119.907 120.400 0.124 0.000 2.117 125 D HA -0.115 4.525 4.640 0.001 0.000 0.198 125 D C 1.931 178.314 176.300 0.139 0.000 0.982 125 D CA 1.100 55.167 54.000 0.111 0.000 0.828 125 D CB -0.233 40.620 40.800 0.088 0.000 0.967 125 D HN 0.424 nan 8.370 nan 0.000 0.464 126 I N 0.568 121.247 120.570 0.183 0.000 2.315 126 I HA -0.221 3.950 4.170 0.001 0.000 0.248 126 I C 2.042 178.293 176.117 0.224 0.000 1.117 126 I CA 0.868 62.288 61.300 0.199 0.000 1.404 126 I CB -0.143 38.003 38.000 0.243 0.000 1.071 126 I HN -0.005 nan 8.210 nan 0.000 0.419 127 C N 0.666 120.091 119.300 0.209 0.000 2.413 127 C HA -0.189 4.271 4.460 0.001 0.000 0.276 127 C C 2.415 177.471 174.990 0.110 0.000 1.236 127 C CA 1.242 60.347 59.018 0.144 0.000 1.735 127 C CB -1.260 26.526 27.740 0.076 0.000 2.031 127 C HN 0.531 nan 8.230 nan 0.000 0.474 128 D N -0.909 119.557 120.400 0.110 0.000 2.117 128 D HA -0.132 4.508 4.640 0.001 0.000 0.197 128 D C 1.727 178.096 176.300 0.116 0.000 0.987 128 D CA 1.245 55.298 54.000 0.089 0.000 0.829 128 D CB -0.573 40.274 40.800 0.079 0.000 0.961 128 D HN 0.651 nan 8.370 nan 0.000 0.460 129 Y N 1.730 122.038 120.300 0.014 0.000 2.145 129 Y HA -0.192 4.358 4.550 0.001 0.000 0.286 129 Y C 2.294 178.183 175.900 -0.019 0.000 1.145 129 Y CA 1.798 59.897 58.100 -0.002 0.000 1.148 129 Y CB -0.325 38.136 38.460 0.002 0.000 0.981 129 Y HN -0.051 nan 8.280 nan 0.000 0.507 130 A N -0.827 122.048 122.820 0.092 0.000 2.019 130 A HA -0.118 4.202 4.320 0.001 0.000 0.219 130 A C 2.288 179.819 177.584 -0.089 0.000 1.164 130 A CA 1.681 53.701 52.037 -0.029 0.000 0.644 130 A CB -1.238 17.793 19.000 0.050 0.000 0.805 130 A HN 0.351 nan 8.150 nan 0.000 0.449 131 V N -0.079 119.807 119.914 -0.048 0.000 2.287 131 V HA -0.213 3.907 4.120 0.001 0.000 0.248 131 V C 2.805 178.832 176.094 -0.111 0.000 1.053 131 V CA 2.051 64.315 62.300 -0.059 0.000 1.027 131 V CB -1.468 30.339 31.823 -0.026 0.000 0.646 131 V HN 0.591 nan 8.190 nan 0.000 0.447 132 G N -0.358 108.356 108.800 -0.144 0.000 2.402 132 G HA2 -0.224 3.736 3.960 0.001 0.000 0.216 132 G HA3 -0.224 3.736 3.960 0.001 0.000 0.216 132 G C 1.545 176.294 174.900 -0.251 0.000 1.162 132 G CA 0.899 45.890 45.100 -0.182 0.000 0.777 132 G HN 0.411 nan 8.290 nan 0.000 0.539 133 L N 2.092 123.107 121.223 -0.347 0.000 2.187 133 L HA -0.057 4.283 4.340 0.001 0.000 0.213 133 L C 3.008 179.666 176.870 -0.355 0.000 1.100 133 L CA 2.193 56.788 54.840 -0.407 0.000 0.765 133 L CB -0.526 41.245 42.059 -0.479 0.000 0.904 133 L HN 0.364 nan 8.230 nan 0.000 0.437 134 S N -1.466 114.078 115.700 -0.260 0.000 2.507 134 S HA -0.118 4.353 4.470 0.001 0.000 0.235 134 S C 1.895 176.368 174.600 -0.212 0.000 0.988 134 S CA 0.517 58.581 58.200 -0.227 0.000 0.944 134 S CB -0.425 62.681 63.200 -0.157 0.000 0.762 134 S HN 0.551 nan 8.310 nan 0.000 0.526 135 R N -0.502 119.878 120.500 -0.199 0.000 2.393 135 R HA 0.421 4.762 4.340 0.001 0.000 0.244 135 R C 1.190 177.383 176.300 -0.178 0.000 0.920 135 R CA 0.202 56.204 56.100 -0.164 0.000 1.076 135 R CB 0.029 30.253 30.300 -0.127 0.000 1.119 135 R HN 0.493 nan 8.270 nan 0.000 0.524 136 M N 0.079 119.530 119.600 -0.248 0.000 2.447 136 M HA 0.208 4.688 4.480 0.001 0.000 0.255 136 M C 0.497 176.592 176.300 -0.343 0.000 1.289 136 M CA -0.033 55.117 55.300 -0.251 0.000 1.128 136 M CB 0.594 33.041 32.600 -0.255 0.000 1.540 136 M HN -0.013 nan 8.290 nan 0.000 0.557 137 I N 0.679 120.912 120.570 -0.561 0.000 2.710 137 I HA 0.561 4.732 4.170 0.001 0.000 0.286 137 I C 0.356 176.191 176.117 -0.471 0.000 1.181 137 I CA 0.092 60.821 61.300 -0.952 0.000 1.430 137 I CB -0.172 37.085 38.000 -1.239 0.000 1.367 137 I HN 0.245 nan 8.210 nan 0.000 0.577 138 G N 3.026 111.646 108.800 -0.300 0.000 2.359 138 G HA2 0.483 4.444 3.960 0.001 0.000 0.293 138 G HA3 0.483 4.444 3.960 0.001 0.000 0.293 138 G C -0.999 174.131 174.900 0.383 0.000 1.300 138 G CA -0.398 44.794 45.100 0.153 0.000 0.888 138 G HN 1.052 nan 8.290 nan 0.000 0.541 139 G N -0.633 108.462 108.800 0.491 0.000 2.816 139 G HA2 0.887 4.847 3.960 0.001 0.000 0.288 139 G HA3 0.887 4.847 3.960 0.001 0.000 0.288 139 G C -2.699 172.354 174.900 0.255 0.000 1.334 139 G CA -1.067 44.323 45.100 0.484 0.000 0.978 139 G HN 0.654 nan 8.290 nan 0.000 0.493 140 P HA 0.287 nan 4.420 nan 0.000 0.275 140 P C -0.707 176.654 177.300 0.101 0.000 1.228 140 P CA -0.311 62.866 63.100 0.128 0.000 0.786 140 P CB 1.880 33.647 31.700 0.111 0.000 0.927 141 I N 2.728 123.343 120.570 0.076 0.000 2.325 141 I HA 0.229 4.400 4.170 0.001 0.000 0.291 141 I C -0.568 175.583 176.117 0.057 0.000 1.019 141 I CA -0.764 60.573 61.300 0.062 0.000 1.302 141 I CB 0.169 38.198 38.000 0.049 0.000 1.401 141 I HN 0.179 nan 8.210 nan 0.000 0.485 142 L N 8.850 130.106 121.223 0.055 0.000 2.334 142 L HA 0.596 4.936 4.340 0.001 0.000 0.272 142 L C -2.218 174.681 176.870 0.049 0.000 1.020 142 L CA -1.949 52.920 54.840 0.048 0.000 0.812 142 L CB 1.616 43.701 42.059 0.043 0.000 1.264 142 L HN 0.479 nan 8.230 nan 0.000 0.439 143 P HA 0.084 nan 4.420 nan 0.000 0.279 143 P C -0.440 176.881 177.300 0.035 0.000 1.318 143 P CA -0.192 62.933 63.100 0.042 0.000 0.819 143 P CB 1.259 32.979 31.700 0.033 0.000 0.927 144 S N 2.151 117.879 115.700 0.046 0.000 2.572 144 S HA -0.004 4.467 4.470 0.001 0.000 0.279 144 S C 1.491 176.088 174.600 -0.004 0.000 1.341 144 S CA -0.359 57.854 58.200 0.022 0.000 1.043 144 S CB 0.311 63.536 63.200 0.042 0.000 0.887 144 S HN 0.550 nan 8.310 nan 0.000 0.516 145 E N 3.468 123.647 120.200 -0.034 0.000 2.418 145 E HA -0.063 4.287 4.350 0.001 0.000 0.197 145 E C 0.017 176.570 176.600 -0.078 0.000 1.026 145 E CA 0.552 56.924 56.400 -0.046 0.000 0.862 145 E CB 0.046 29.716 29.700 -0.050 0.000 0.799 145 E HN 0.498 nan 8.360 nan 0.000 0.518 146 R N 1.651 122.071 120.500 -0.133 0.000 2.229 146 R HA 0.294 4.635 4.340 0.001 0.000 0.328 146 R C -0.498 175.755 176.300 -0.077 0.000 1.009 146 R CA -0.452 55.509 56.100 -0.231 0.000 0.864 146 R CB 1.566 31.465 30.300 -0.668 0.000 1.085 146 R HN -0.038 nan 8.270 nan 0.000 0.453 147 S N 1.430 117.115 115.700 -0.025 0.000 2.558 147 S HA 0.148 4.618 4.470 0.001 0.000 0.288 147 S C 1.296 175.935 174.600 0.064 0.000 1.318 147 S CA 0.765 58.980 58.200 0.025 0.000 1.056 147 S CB 0.870 64.077 63.200 0.010 0.000 0.853 147 S HN 0.971 nan 8.310 nan 0.000 0.505 148 G N 1.787 110.541 108.800 -0.077 0.000 2.179 148 G HA2 -0.221 3.739 3.960 0.001 0.000 0.257 148 G HA3 -0.221 3.739 3.960 0.001 0.000 0.257 148 G C -0.335 173.933 174.900 -1.053 0.000 1.010 148 G CA 0.341 45.093 45.100 -0.579 0.000 0.736 148 G HN 0.814 nan 8.290 nan 0.000 0.513 149 H N -0.356 118.429 119.070 -0.475 0.000 2.690 149 H HA 0.766 5.323 4.556 0.001 0.000 0.368 149 H C 0.375 175.774 175.328 0.118 0.000 1.150 149 H CA 0.208 56.125 56.048 -0.218 0.000 1.174 149 H CB 1.853 31.550 29.762 -0.109 0.000 1.684 149 H HN 0.565 nan 8.280 nan 0.000 0.538 150 A N 1.978 125.002 122.820 0.340 0.000 2.306 150 A HA 0.649 4.969 4.320 0.001 0.000 0.330 150 A C -1.239 176.441 177.584 0.160 0.000 1.146 150 A CA -0.557 51.630 52.037 0.251 0.000 0.827 150 A CB 0.705 19.829 19.000 0.207 0.000 1.178 150 A HN 0.491 nan 8.150 nan 0.000 0.490 151 L N 2.646 123.935 121.223 0.110 0.000 2.404 151 L HA 0.736 5.076 4.340 0.001 0.000 0.272 151 L C -0.857 176.048 176.870 0.059 0.000 0.980 151 L CA -0.352 54.531 54.840 0.073 0.000 0.836 151 L CB 1.351 43.444 42.059 0.055 0.000 1.238 151 L HN 0.676 nan 8.230 nan 0.000 0.408 152 I N 0.983 121.581 120.570 0.047 0.000 2.533 152 I HA 0.587 4.758 4.170 0.001 0.000 0.290 152 I C -0.913 175.218 176.117 0.023 0.000 1.056 152 I CA -0.620 60.706 61.300 0.044 0.000 1.057 152 I CB 2.091 40.118 38.000 0.046 0.000 1.240 152 I HN 0.738 nan 8.210 nan 0.000 0.423 153 E N 5.986 126.210 120.200 0.039 0.000 2.089 153 E HA 0.252 4.602 4.350 0.001 0.000 0.284 153 E C -1.003 175.609 176.600 0.020 0.000 1.023 153 E CA -0.558 55.840 56.400 -0.003 0.000 0.819 153 E CB 0.930 30.659 29.700 0.049 0.000 1.076 153 E HN 0.575 nan 8.360 nan 0.000 0.396 154 Q N 3.436 123.185 119.800 -0.084 0.000 2.235 154 Q HA 0.299 4.640 4.340 0.001 0.000 0.256 154 Q C -1.225 174.682 176.000 -0.155 0.000 0.951 154 Q CA -0.412 55.389 55.803 -0.002 0.000 0.890 154 Q CB 1.557 30.299 28.738 0.005 0.000 1.279 154 Q HN 0.528 nan 8.270 nan 0.000 0.444 155 W N 1.319 122.698 121.300 0.132 0.000 2.739 155 W HA 0.438 5.099 4.660 0.001 0.000 0.331 155 W C 0.072 176.682 176.519 0.152 0.000 1.049 155 W CA -0.421 57.035 57.345 0.184 0.000 1.234 155 W CB 1.401 31.064 29.460 0.338 0.000 1.404 155 W HN 0.365 nan 8.180 nan 0.000 0.477 156 N N 2.661 121.578 118.700 0.362 0.000 2.321 156 N HA 0.454 5.194 4.740 0.001 0.000 0.290 156 N C -2.812 172.898 175.510 0.333 0.000 1.212 156 N CA -1.752 51.468 53.050 0.285 0.000 0.767 156 N CB 2.331 40.941 38.487 0.205 0.000 1.494 156 N HN -0.075 nan 8.380 nan 0.000 0.479 157 P HA -0.028 nan 4.420 nan 0.000 0.267 157 P C 1.253 178.734 177.300 0.302 0.000 1.200 157 P CA -0.120 63.218 63.100 0.396 0.000 0.772 157 P CB 0.635 32.693 31.700 0.597 0.000 0.855 158 V N 0.017 120.069 119.914 0.230 0.000 2.719 158 V HA 0.204 4.325 4.120 0.001 0.000 0.252 158 V C 1.265 177.298 176.094 -0.103 0.000 1.065 158 V CA 1.809 64.162 62.300 0.087 0.000 1.086 158 V CB -1.375 30.509 31.823 0.101 0.000 0.700 158 V HN 0.828 nan 8.190 nan 0.000 0.467 159 G N 0.634 109.342 108.800 -0.153 0.000 1.920 159 G HA2 -0.088 3.872 3.960 0.001 0.000 0.210 159 G HA3 -0.088 3.872 3.960 0.001 0.000 0.210 159 G C -0.614 174.111 174.900 -0.291 0.000 1.302 159 G CA -0.089 44.589 45.100 -0.703 0.000 1.333 159 G HN 0.806 nan 8.290 nan 0.000 0.452 160 L N 2.101 123.215 121.223 -0.182 0.000 2.272 160 L HA 0.800 5.140 4.340 0.001 0.000 0.289 160 L C -0.155 176.753 176.870 0.063 0.000 1.032 160 L CA -0.878 53.957 54.840 -0.008 0.000 0.810 160 L CB 1.663 43.708 42.059 -0.023 0.000 1.205 160 L HN 0.490 nan 8.230 nan 0.000 0.422 161 V N 5.741 125.735 119.914 0.134 0.000 2.333 161 V HA 0.576 4.696 4.120 0.001 0.000 0.274 161 V C 0.896 177.096 176.094 0.176 0.000 1.028 161 V CA -0.341 62.061 62.300 0.171 0.000 0.851 161 V CB 0.834 32.809 31.823 0.254 0.000 1.000 161 V HN 0.935 nan 8.190 nan 0.000 0.456 162 G N 5.123 114.024 108.800 0.168 0.000 2.415 162 G HA2 0.647 4.608 3.960 0.001 0.000 0.269 162 G HA3 0.647 4.608 3.960 0.001 0.000 0.269 162 G C -0.680 174.355 174.900 0.226 0.000 1.209 162 G CA -0.331 44.892 45.100 0.204 0.000 0.835 162 G HN 0.647 nan 8.290 nan 0.000 0.534 163 I N 2.038 122.774 120.570 0.276 0.000 2.497 163 I HA 0.298 4.469 4.170 0.001 0.000 0.284 163 I C -0.552 175.779 176.117 0.357 0.000 1.060 163 I CA -0.377 61.089 61.300 0.278 0.000 1.071 163 I CB 1.937 40.081 38.000 0.241 0.000 1.216 163 I HN 0.223 nan 8.210 nan 0.000 0.442 164 I N 5.694 126.420 120.570 0.260 0.000 2.354 164 I HA 0.470 4.640 4.170 0.001 0.000 0.292 164 I C 0.225 176.361 176.117 0.032 0.000 0.989 164 I CA -0.276 61.142 61.300 0.197 0.000 1.188 164 I CB 2.026 40.170 38.000 0.239 0.000 1.342 164 I HN 0.571 nan 8.210 nan 0.000 0.457 165 T N 2.371 116.986 114.554 0.101 0.000 2.916 165 T HA 0.844 5.194 4.350 0.001 0.000 0.292 165 T C -0.309 174.374 174.700 -0.028 0.000 1.064 165 T CA -0.864 61.263 62.100 0.045 0.000 1.011 165 T CB 1.984 71.014 68.868 0.270 0.000 1.152 165 T HN 0.587 nan 8.240 nan 0.000 0.510 166 A N 0.919 123.696 122.820 -0.072 0.000 2.252 166 A HA 0.651 4.972 4.320 0.001 0.000 0.305 166 A C 0.834 178.393 177.584 -0.042 0.000 1.097 166 A CA -0.891 51.093 52.037 -0.088 0.000 0.849 166 A CB -0.082 18.807 19.000 -0.185 0.000 1.142 166 A HN 1.152 nan 8.150 nan 0.000 0.499 167 F N 0.984 120.893 119.950 -0.067 0.000 2.293 167 F HA -0.127 4.400 4.527 0.001 0.000 0.300 167 F C 1.676 177.363 175.800 -0.189 0.000 1.086 167 F CA 1.493 59.403 58.000 -0.151 0.000 1.375 167 F CB -0.430 38.385 39.000 -0.310 0.000 1.045 167 F HN 0.542 nan 8.300 nan 0.000 0.516 168 N N 0.077 118.225 118.700 -0.921 0.000 2.416 168 N HA -0.086 4.654 4.740 0.001 0.000 0.177 168 N C -0.210 174.939 175.510 -0.601 0.000 1.036 168 N CA 0.507 53.041 53.050 -0.859 0.000 0.901 168 N CB -0.650 37.326 38.487 -0.852 0.000 0.976 168 N HN 0.395 nan 8.380 nan 0.000 0.444 169 F N 1.330 121.138 119.950 -0.237 0.000 2.531 169 F HA 0.432 4.959 4.527 0.001 0.000 0.333 169 F C -1.710 174.011 175.800 -0.133 0.000 1.292 169 F CA -1.932 55.956 58.000 -0.186 0.000 1.184 169 F CB 1.886 40.727 39.000 -0.264 0.000 1.426 169 F HN -0.084 nan 8.300 nan 0.000 0.559 170 P HA -0.014 nan 4.420 nan 0.000 0.241 170 P C 1.022 178.453 177.300 0.219 0.000 1.191 170 P CA 0.883 64.057 63.100 0.122 0.000 0.771 170 P CB 0.839 32.594 31.700 0.091 0.000 0.929 171 V N -0.210 119.778 119.914 0.122 0.000 2.911 171 V HA 0.168 4.289 4.120 0.001 0.000 0.237 171 V C 2.641 178.661 176.094 -0.124 0.000 1.156 171 V CA 1.242 63.612 62.300 0.118 0.000 1.180 171 V CB -1.024 30.897 31.823 0.164 0.000 0.932 171 V HN -0.010 nan 8.190 nan 0.000 0.483 172 A N 0.182 122.871 122.820 -0.219 0.000 1.930 172 A HA -0.101 4.219 4.320 0.001 0.000 0.217 172 A C 2.288 179.130 177.584 -1.237 0.000 1.175 172 A CA 1.958 53.622 52.037 -0.622 0.000 0.627 172 A CB -0.519 18.172 19.000 -0.514 0.000 0.815 172 A HN 0.288 nan 8.150 nan 0.000 0.443 173 V N -1.329 118.019 119.914 -0.944 0.000 2.307 173 V HA -0.256 3.865 4.120 0.001 0.000 0.245 173 V C 2.349 178.128 176.094 -0.525 0.000 1.045 173 V CA 2.013 63.797 62.300 -0.861 0.000 1.024 173 V CB -1.025 30.560 31.823 -0.396 0.000 0.651 173 V HN 0.719 nan 8.190 nan 0.000 0.449 174 Y N 2.053 121.992 120.300 -0.602 0.000 2.165 174 Y HA -0.181 4.369 4.550 0.001 0.000 0.286 174 Y C 2.304 177.696 175.900 -0.848 0.000 1.155 174 Y CA 1.747 59.360 58.100 -0.812 0.000 1.164 174 Y CB -0.917 36.690 38.460 -1.422 0.000 0.978 174 Y HN 0.185 nan 8.280 nan 0.000 0.513 175 G N -0.330 107.757 108.800 -1.188 0.000 2.421 175 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 175 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 175 G C 1.321 175.754 174.900 -0.778 0.000 1.171 175 G CA 0.930 44.958 45.100 -1.787 0.000 0.775 175 G HN 0.512 nan 8.290 nan 0.000 0.543 176 W N 1.370 122.370 121.300 -0.500 0.000 2.335 176 W HA -0.029 4.632 4.660 0.001 0.000 0.311 176 W C 2.433 178.774 176.519 -0.297 0.000 1.213 176 W CA 0.722 57.892 57.345 -0.292 0.000 1.274 176 W CB -1.136 28.205 29.460 -0.198 0.000 1.148 176 W HN 0.230 nan 8.180 nan 0.000 0.498 177 N N 0.134 118.776 118.700 -0.097 0.000 2.142 177 N HA -0.176 4.564 4.740 0.001 0.000 0.186 177 N C 1.612 176.925 175.510 -0.329 0.000 1.023 177 N CA 1.218 54.195 53.050 -0.121 0.000 0.852 177 N CB -0.890 37.581 38.487 -0.026 0.000 0.998 177 N HN 0.316 nan 8.380 nan 0.000 0.424 178 N N 1.569 119.920 118.700 -0.582 0.000 2.043 178 N HA -0.144 4.597 4.740 0.001 0.000 0.193 178 N C 1.729 177.096 175.510 -0.238 0.000 1.037 178 N CA 1.540 54.262 53.050 -0.546 0.000 0.851 178 N CB -0.015 37.869 38.487 -1.006 0.000 1.027 178 N HN 0.106 nan 8.380 nan 0.000 0.422 179 A N 1.721 124.442 122.820 -0.165 0.000 1.883 179 A HA -0.105 4.215 4.320 0.001 0.000 0.217 179 A C 2.285 179.843 177.584 -0.043 0.000 1.186 179 A CA 1.133 53.168 52.037 -0.003 0.000 0.624 179 A CB -0.514 18.545 19.000 0.099 0.000 0.822 179 A HN 0.362 nan 8.150 nan 0.000 0.444 180 I N -0.212 120.268 120.570 -0.149 0.000 2.202 180 I HA -0.192 3.978 4.170 0.001 0.000 0.242 180 I C 2.998 178.944 176.117 -0.285 0.000 1.091 180 I CA 1.420 62.583 61.300 -0.230 0.000 1.368 180 I CB -1.698 36.092 38.000 -0.349 0.000 1.058 180 I HN 0.360 nan 8.210 nan 0.000 0.410 181 A N 0.895 123.469 122.820 -0.411 0.000 1.908 181 A HA -0.220 4.100 4.320 0.001 0.000 0.218 181 A C 2.361 180.022 177.584 0.129 0.000 1.181 181 A CA 1.628 53.594 52.037 -0.119 0.000 0.627 181 A CB -0.479 18.530 19.000 0.014 0.000 0.818 181 A HN 0.280 nan 8.150 nan 0.000 0.445 182 M N -0.197 119.486 119.600 0.137 0.000 2.067 182 M HA -0.122 4.359 4.480 0.001 0.000 0.260 182 M C 2.368 178.889 176.300 0.368 0.000 1.069 182 M CA 1.918 57.444 55.300 0.377 0.000 1.117 182 M CB -1.194 31.576 32.600 0.283 0.000 1.334 182 M HN 0.705 nan 8.290 nan 0.000 0.407 183 I N -2.263 118.396 120.570 0.148 0.000 2.493 183 I HA -0.182 3.988 4.170 0.001 0.000 0.254 183 I C 1.961 178.058 176.117 -0.034 0.000 1.160 183 I CA 1.121 62.431 61.300 0.018 0.000 1.445 183 I CB -0.918 37.050 38.000 -0.054 0.000 1.086 183 I HN 0.100 nan 8.210 nan 0.000 0.433 184 C N 2.444 121.770 119.300 0.043 0.000 2.546 184 C HA 0.403 4.863 4.460 0.001 0.000 0.275 184 C C 1.913 176.995 174.990 0.154 0.000 1.393 184 C CA 0.419 59.495 59.018 0.096 0.000 1.703 184 C CB -1.739 26.127 27.740 0.211 0.000 1.710 184 C HN 0.924 nan 8.230 nan 0.000 0.581 185 G N 1.635 110.507 108.800 0.120 0.000 2.136 185 G HA2 -0.205 3.755 3.960 0.001 0.000 0.242 185 G HA3 -0.205 3.755 3.960 0.001 0.000 0.242 185 G C -0.260 174.943 174.900 0.504 0.000 0.989 185 G CA -0.158 44.981 45.100 0.065 0.000 0.682 185 G HN 0.555 nan 8.290 nan 0.000 0.522 186 N N -0.223 118.845 118.700 0.614 0.000 2.489 186 N HA 0.593 5.334 4.740 0.001 0.000 0.284 186 N C 0.617 176.499 175.510 0.620 0.000 1.158 186 N CA 0.245 53.679 53.050 0.639 0.000 0.965 186 N CB 2.247 40.982 38.487 0.414 0.000 1.195 186 N HN 0.665 nan 8.380 nan 0.000 0.506 187 V N -1.754 118.461 119.914 0.502 0.000 2.837 187 V HA 0.642 4.762 4.120 0.001 0.000 0.310 187 V C 0.033 176.224 176.094 0.162 0.000 1.059 187 V CA -0.638 61.791 62.300 0.215 0.000 1.004 187 V CB 1.068 33.013 31.823 0.203 0.000 1.045 187 V HN 0.615 nan 8.190 nan 0.000 0.465 188 C N 3.809 123.172 119.300 0.105 0.000 2.561 188 C HA 0.819 5.279 4.460 0.001 0.000 0.319 188 C C -0.479 174.614 174.990 0.171 0.000 1.198 188 C CA -0.493 58.615 59.018 0.150 0.000 1.665 188 C CB 0.981 28.810 27.740 0.147 0.000 2.258 188 C HN 0.982 nan 8.230 nan 0.000 0.493 189 L N 2.989 124.339 121.223 0.211 0.000 2.406 189 L HA 0.631 4.971 4.340 0.001 0.000 0.270 189 L C -1.389 175.687 176.870 0.343 0.000 0.982 189 L CA -0.135 54.839 54.840 0.224 0.000 0.843 189 L CB 0.701 42.853 42.059 0.154 0.000 1.225 189 L HN 0.816 nan 8.230 nan 0.000 0.412 190 W N 6.162 127.532 121.300 0.118 0.000 2.390 190 W HA 0.499 5.159 4.660 0.001 0.000 0.312 190 W C -0.721 175.821 176.519 0.037 0.000 1.123 190 W CA -1.025 56.363 57.345 0.071 0.000 1.202 190 W CB 1.115 30.485 29.460 -0.150 0.000 1.251 190 W HN 0.597 nan 8.180 nan 0.000 0.511 191 K N 5.180 125.740 120.400 0.267 0.000 2.521 191 K HA 0.475 4.796 4.320 0.001 0.000 0.248 191 K C 0.216 176.758 176.600 -0.096 0.000 0.978 191 K CA -0.374 55.907 56.287 -0.010 0.000 0.947 191 K CB 0.427 32.981 32.500 0.090 0.000 1.165 191 K HN 0.704 nan 8.250 nan 0.000 0.445 192 G N 1.751 110.246 108.800 -0.508 0.000 2.588 192 G HA2 0.451 4.412 3.960 0.001 0.000 0.281 192 G HA3 0.451 4.412 3.960 0.001 0.000 0.281 192 G C -0.515 174.314 174.900 -0.118 0.000 1.236 192 G CA -0.639 44.272 45.100 -0.315 0.000 0.969 192 G HN 0.702 nan 8.290 nan 0.000 0.504 193 A N 0.396 123.205 122.820 -0.019 0.000 2.511 193 A HA 0.428 4.749 4.320 0.001 0.000 0.242 193 A C -0.955 176.637 177.584 0.013 0.000 1.069 193 A CA -0.606 51.456 52.037 0.042 0.000 0.763 193 A CB 0.350 19.430 19.000 0.134 0.000 1.001 193 A HN 0.391 nan 8.150 nan 0.000 0.498 194 P HA -0.145 nan 4.420 nan 0.000 0.218 194 P C 1.497 178.814 177.300 0.028 0.000 1.148 194 P CA 2.073 65.176 63.100 0.006 0.000 0.822 194 P CB -0.069 31.637 31.700 0.010 0.000 0.784 195 T N -4.915 109.689 114.554 0.084 0.000 3.163 195 T HA -0.027 4.323 4.350 0.001 0.000 0.260 195 T C 1.066 175.866 174.700 0.166 0.000 1.156 195 T CA 1.245 63.416 62.100 0.118 0.000 1.072 195 T CB -1.238 67.740 68.868 0.182 0.000 0.937 195 T HN 0.194 nan 8.240 nan 0.000 0.528 196 T N -1.897 112.727 114.554 0.118 0.000 3.331 196 T HA 0.403 4.753 4.350 0.001 0.000 0.282 196 T C 1.411 176.095 174.700 -0.027 0.000 1.010 196 T CA -0.373 61.773 62.100 0.077 0.000 0.928 196 T CB 0.017 68.949 68.868 0.106 0.000 1.154 196 T HN 0.125 nan 8.240 nan 0.000 0.516 197 S N 1.383 117.054 115.700 -0.047 0.000 2.382 197 S HA 0.020 4.490 4.470 0.001 0.000 0.228 197 S C 1.799 176.340 174.600 -0.099 0.000 1.027 197 S CA 1.046 59.184 58.200 -0.104 0.000 0.991 197 S CB -0.384 62.773 63.200 -0.072 0.000 0.823 197 S HN 0.539 nan 8.310 nan 0.000 0.469 198 L N 0.723 121.909 121.223 -0.063 0.000 2.093 198 L HA -0.076 4.264 4.340 0.001 0.000 0.208 198 L C 2.162 179.012 176.870 -0.034 0.000 1.085 198 L CA 1.037 55.841 54.840 -0.060 0.000 0.755 198 L CB -0.578 41.439 42.059 -0.071 0.000 0.904 198 L HN 0.286 nan 8.230 nan 0.000 0.435 199 I N -0.745 119.820 120.570 -0.009 0.000 2.179 199 I HA -0.273 3.897 4.170 0.001 0.000 0.242 199 I C 2.622 178.753 176.117 0.024 0.000 1.088 199 I CA 1.175 62.502 61.300 0.045 0.000 1.357 199 I CB -0.249 37.801 38.000 0.083 0.000 1.051 199 I HN 0.153 nan 8.210 nan 0.000 0.409 200 S N 0.284 115.887 115.700 -0.161 0.000 2.370 200 S HA -0.155 4.315 4.470 0.001 0.000 0.226 200 S C 2.117 176.593 174.600 -0.206 0.000 1.033 200 S CA 1.330 59.220 58.200 -0.517 0.000 1.011 200 S CB -0.383 62.229 63.200 -0.980 0.000 0.852 200 S HN 0.223 nan 8.310 nan 0.000 0.457 201 V N 2.055 121.916 119.914 -0.090 0.000 2.261 201 V HA -0.223 3.898 4.120 0.001 0.000 0.246 201 V C 2.693 178.840 176.094 0.089 0.000 1.047 201 V CA 1.770 64.103 62.300 0.055 0.000 1.015 201 V CB -1.269 30.559 31.823 0.009 0.000 0.642 201 V HN 0.551 nan 8.190 nan 0.000 0.446 202 A N -0.340 122.506 122.820 0.045 0.000 1.908 202 A HA -0.182 4.138 4.320 0.001 0.000 0.218 202 A C 2.390 180.050 177.584 0.126 0.000 1.181 202 A CA 2.237 54.309 52.037 0.058 0.000 0.627 202 A CB -0.737 18.298 19.000 0.058 0.000 0.818 202 A HN 0.344 nan 8.150 nan 0.000 0.445 203 V N -0.407 119.628 119.914 0.202 0.000 2.343 203 V HA -0.214 3.907 4.120 0.001 0.000 0.247 203 V C 2.726 178.991 176.094 0.284 0.000 1.051 203 V CA 2.447 64.922 62.300 0.291 0.000 1.036 203 V CB -1.205 30.906 31.823 0.480 0.000 0.654 203 V HN 0.610 nan 8.190 nan 0.000 0.451 204 T N -0.522 114.214 114.554 0.303 0.000 2.833 204 T HA -0.184 4.166 4.350 0.001 0.000 0.269 204 T C 1.910 176.719 174.700 0.181 0.000 1.054 204 T CA 1.287 63.534 62.100 0.245 0.000 1.135 204 T CB -0.199 68.805 68.868 0.225 0.000 0.869 204 T HN 0.469 nan 8.240 nan 0.000 0.466 205 K N 0.602 121.147 120.400 0.242 0.000 2.063 205 K HA -0.010 4.311 4.320 0.001 0.000 0.208 205 K C 2.141 178.783 176.600 0.070 0.000 1.048 205 K CA 1.156 57.533 56.287 0.149 0.000 0.928 205 K CB -0.318 32.172 32.500 -0.016 0.000 0.713 205 K HN 0.330 nan 8.250 nan 0.000 0.442 206 I N 0.852 121.465 120.570 0.073 0.000 2.179 206 I HA -0.290 3.881 4.170 0.001 0.000 0.242 206 I C 2.200 178.340 176.117 0.038 0.000 1.088 206 I CA 1.331 62.658 61.300 0.045 0.000 1.357 206 I CB -0.211 37.813 38.000 0.040 0.000 1.051 206 I HN 0.099 nan 8.210 nan 0.000 0.409 207 I N 0.581 121.190 120.570 0.066 0.000 2.252 207 I HA -0.272 3.898 4.170 0.001 0.000 0.245 207 I C 2.785 178.918 176.117 0.027 0.000 1.102 207 I CA 1.273 62.610 61.300 0.062 0.000 1.385 207 I CB -0.536 37.549 38.000 0.141 0.000 1.064 207 I HN 0.177 nan 8.210 nan 0.000 0.414 208 A N 0.894 123.686 122.820 -0.046 0.000 1.908 208 A HA -0.300 4.021 4.320 0.001 0.000 0.218 208 A C 2.392 179.990 177.584 0.023 0.000 1.181 208 A CA 2.211 54.174 52.037 -0.123 0.000 0.627 208 A CB -0.617 18.037 19.000 -0.577 0.000 0.818 208 A HN 0.389 nan 8.150 nan 0.000 0.445 209 K N -0.344 120.073 120.400 0.030 0.000 2.057 209 K HA -0.110 4.210 4.320 0.001 0.000 0.207 209 K C 1.802 178.429 176.600 0.045 0.000 1.049 209 K CA 1.689 58.005 56.287 0.048 0.000 0.931 209 K CB -0.304 32.217 32.500 0.034 0.000 0.714 209 K HN 0.234 nan 8.250 nan 0.000 0.440 210 V N 1.807 121.742 119.914 0.034 0.000 2.295 210 V HA -0.271 3.850 4.120 0.001 0.000 0.246 210 V C 2.358 178.478 176.094 0.042 0.000 1.049 210 V CA 1.723 64.043 62.300 0.033 0.000 1.024 210 V CB -0.424 31.413 31.823 0.023 0.000 0.648 210 V HN 0.321 nan 8.190 nan 0.000 0.447 211 L N -0.364 120.885 121.223 0.042 0.000 2.017 211 L HA -0.192 4.148 4.340 0.001 0.000 0.208 211 L C 2.635 179.542 176.870 0.061 0.000 1.073 211 L CA 1.823 56.686 54.840 0.039 0.000 0.745 211 L CB -0.702 41.373 42.059 0.026 0.000 0.894 211 L HN 0.372 nan 8.230 nan 0.000 0.432 212 E N -0.026 120.224 120.200 0.083 0.000 2.110 212 E HA -0.217 4.133 4.350 0.001 0.000 0.193 212 E C 1.696 178.336 176.600 0.066 0.000 0.988 212 E CA 1.198 57.651 56.400 0.088 0.000 0.804 212 E CB -0.108 29.663 29.700 0.119 0.000 0.745 212 E HN 0.450 nan 8.360 nan 0.000 0.458 213 D N 0.562 120.997 120.400 0.058 0.000 2.218 213 D HA -0.087 4.553 4.640 0.001 0.000 0.204 213 D C 1.101 177.428 176.300 0.045 0.000 0.976 213 D CA 0.732 54.760 54.000 0.047 0.000 0.853 213 D CB -0.163 40.661 40.800 0.039 0.000 0.939 213 D HN 0.084 nan 8.370 nan 0.000 0.481 214 N N 0.530 119.261 118.700 0.052 0.000 2.276 214 N HA 0.024 4.764 4.740 0.001 0.000 0.212 214 N C -0.275 175.270 175.510 0.060 0.000 1.127 214 N CA 0.030 53.114 53.050 0.056 0.000 0.834 214 N CB 0.522 39.051 38.487 0.070 0.000 1.014 214 N HN 0.137 nan 8.380 nan 0.000 0.491 215 K N 0.312 120.744 120.400 0.054 0.000 3.071 215 K HA -0.172 4.148 4.320 0.001 0.000 0.265 215 K C -0.684 175.950 176.600 0.056 0.000 1.060 215 K CA 0.545 56.862 56.287 0.050 0.000 0.767 215 K CB -1.477 31.048 32.500 0.042 0.000 1.241 215 K HN 0.257 nan 8.250 nan 0.000 0.486 216 L N 0.738 121.997 121.223 0.060 0.000 2.334 216 L HA 0.490 4.830 4.340 0.001 0.000 0.273 216 L C -1.863 175.024 176.870 0.029 0.000 1.013 216 L CA -2.435 52.440 54.840 0.059 0.000 0.816 216 L CB 1.174 43.275 42.059 0.070 0.000 1.278 216 L HN -0.132 nan 8.230 nan 0.000 0.431 217 P HA 0.026 nan 4.420 nan 0.000 0.271 217 P C 0.545 177.815 177.300 -0.050 0.000 1.220 217 P CA -0.100 62.989 63.100 -0.019 0.000 0.768 217 P CB 1.118 32.806 31.700 -0.020 0.000 0.848 218 G N 3.163 111.934 108.800 -0.048 0.000 2.470 218 G HA2 -0.207 3.753 3.960 0.001 0.000 0.220 218 G HA3 -0.207 3.753 3.960 0.001 0.000 0.220 218 G C 1.475 176.297 174.900 -0.131 0.000 1.121 218 G CA 0.639 45.741 45.100 0.003 0.000 0.766 218 G HN 0.597 nan 8.290 nan 0.000 0.553 219 A N 0.648 123.328 122.820 -0.233 0.000 2.178 219 A HA 0.096 4.417 4.320 0.001 0.000 0.218 219 A C 2.204 179.725 177.584 -0.106 0.000 1.157 219 A CA 0.711 52.629 52.037 -0.199 0.000 0.689 219 A CB -0.343 18.552 19.000 -0.176 0.000 0.787 219 A HN 0.417 nan 8.150 nan 0.000 0.465 220 I N -1.018 119.466 120.570 -0.142 0.000 2.236 220 I HA -0.289 3.881 4.170 0.001 0.000 0.249 220 I C 0.327 176.352 176.117 -0.153 0.000 1.102 220 I CA 0.718 61.862 61.300 -0.261 0.000 1.365 220 I CB -0.249 37.390 38.000 -0.601 0.000 1.051 220 I HN 0.331 nan 8.210 nan 0.000 0.420 221 C N 0.850 120.133 119.300 -0.028 0.000 3.188 221 C HA 0.403 4.864 4.460 0.001 0.000 0.230 221 C C 0.544 175.652 174.990 0.197 0.000 1.239 221 C CA -0.896 58.191 59.018 0.114 0.000 1.494 221 C CB -0.554 27.276 27.740 0.151 0.000 1.798 221 C HN 0.165 nan 8.230 nan 0.000 0.458 222 S N 1.541 117.318 115.700 0.129 0.000 2.632 222 S HA 0.698 5.169 4.470 0.001 0.000 0.271 222 S C -0.448 174.246 174.600 0.157 0.000 1.260 222 S CA -0.361 57.880 58.200 0.069 0.000 1.010 222 S CB 1.217 64.402 63.200 -0.026 0.000 0.965 222 S HN 0.611 nan 8.310 nan 0.000 0.534 223 L N 2.569 123.846 121.223 0.089 0.000 2.381 223 L HA 0.623 4.963 4.340 0.001 0.000 0.274 223 L C -0.522 176.360 176.870 0.019 0.000 0.988 223 L CA -0.071 54.811 54.840 0.068 0.000 0.824 223 L CB 1.896 43.969 42.059 0.023 0.000 1.263 223 L HN 0.727 nan 8.230 nan 0.000 0.410 224 T N 1.124 115.699 114.554 0.035 0.000 3.068 224 T HA 0.377 4.727 4.350 0.001 0.000 0.364 224 T C -0.034 174.668 174.700 0.004 0.000 1.161 224 T CA -0.469 61.662 62.100 0.052 0.000 1.155 224 T CB -0.220 68.742 68.868 0.157 0.000 1.060 224 T HN 0.619 nan 8.240 nan 0.000 0.513 225 C N 2.840 122.116 119.300 -0.040 0.000 2.642 225 C HA 0.767 5.227 4.460 0.001 0.000 0.420 225 C C 1.498 176.471 174.990 -0.028 0.000 1.349 225 C CA 0.823 59.793 59.018 -0.079 0.000 1.821 225 C CB -0.663 27.030 27.740 -0.078 0.000 2.637 225 C HN 1.278 nan 8.230 nan 0.000 0.605 226 G N 1.813 110.591 108.800 -0.036 0.000 2.321 226 G HA2 0.573 4.533 3.960 0.001 0.000 0.296 226 G HA3 0.573 4.533 3.960 0.001 0.000 0.296 226 G C -0.470 174.425 174.900 -0.010 0.000 1.287 226 G CA 0.113 45.204 45.100 -0.015 0.000 0.846 226 G HN 0.990 nan 8.290 nan 0.000 0.508 227 G N -1.302 107.497 108.800 -0.002 0.000 3.019 227 G HA2 0.651 4.611 3.960 0.001 0.000 0.152 227 G HA3 0.651 4.611 3.960 0.001 0.000 0.152 227 G C 1.561 176.472 174.900 0.018 0.000 1.320 227 G CA 0.938 46.045 45.100 0.012 0.000 1.013 227 G HN 1.649 nan 8.290 nan 0.000 0.593 228 A N -0.292 122.540 122.820 0.021 0.000 1.972 228 A HA -0.027 4.293 4.320 0.001 0.000 0.219 228 A C 1.929 179.505 177.584 -0.013 0.000 1.169 228 A CA 2.396 54.444 52.037 0.019 0.000 0.635 228 A CB -0.547 18.463 19.000 0.016 0.000 0.810 228 A HN 0.422 nan 8.150 nan 0.000 0.446 229 D N -0.003 120.380 120.400 -0.028 0.000 2.097 229 D HA -0.104 4.537 4.640 0.001 0.000 0.197 229 D C 1.870 178.106 176.300 -0.107 0.000 0.984 229 D CA 0.905 54.870 54.000 -0.058 0.000 0.826 229 D CB -0.223 40.547 40.800 -0.050 0.000 0.973 229 D HN 0.340 nan 8.370 nan 0.000 0.460 230 I N 0.890 121.400 120.570 -0.101 0.000 2.252 230 I HA -0.102 4.068 4.170 0.001 0.000 0.245 230 I C 2.486 178.519 176.117 -0.140 0.000 1.102 230 I CA 1.071 62.269 61.300 -0.170 0.000 1.385 230 I CB -1.414 36.543 38.000 -0.071 0.000 1.064 230 I HN -0.007 nan 8.210 nan 0.000 0.414 231 G N 0.421 109.203 108.800 -0.029 0.000 2.440 231 G HA2 -0.245 3.715 3.960 0.001 0.000 0.218 231 G HA3 -0.245 3.715 3.960 0.001 0.000 0.218 231 G C 1.679 176.575 174.900 -0.006 0.000 1.154 231 G CA 1.441 46.563 45.100 0.037 0.000 0.767 231 G HN 0.317 nan 8.290 nan 0.000 0.552 232 T N 1.520 116.046 114.554 -0.047 0.000 2.777 232 T HA 0.075 4.425 4.350 0.001 0.000 0.266 232 T C 2.830 177.475 174.700 -0.091 0.000 1.040 232 T CA 1.386 63.448 62.100 -0.063 0.000 1.141 232 T CB -0.349 68.482 68.868 -0.061 0.000 0.868 232 T HN 0.377 nan 8.240 nan 0.000 0.444 233 A N 1.540 124.256 122.820 -0.173 0.000 1.883 233 A HA -0.125 4.196 4.320 0.001 0.000 0.217 233 A C 2.325 179.821 177.584 -0.147 0.000 1.186 233 A CA 1.748 53.631 52.037 -0.257 0.000 0.624 233 A CB -0.744 17.888 19.000 -0.614 0.000 0.822 233 A HN 0.465 nan 8.150 nan 0.000 0.444 234 M N -0.490 119.046 119.600 -0.108 0.000 2.080 234 M HA -0.174 4.307 4.480 0.001 0.000 0.260 234 M C 2.492 178.837 176.300 0.075 0.000 1.068 234 M CA 1.595 56.953 55.300 0.096 0.000 1.109 234 M CB -0.436 32.256 32.600 0.154 0.000 1.342 234 M HN 0.465 nan 8.290 nan 0.000 0.405 235 A N 0.180 123.017 122.820 0.028 0.000 1.972 235 A HA -0.161 4.159 4.320 0.001 0.000 0.219 235 A C 2.044 179.625 177.584 -0.005 0.000 1.169 235 A CA 1.644 53.682 52.037 0.003 0.000 0.635 235 A CB -0.456 18.519 19.000 -0.042 0.000 0.810 235 A HN 0.475 nan 8.150 nan 0.000 0.446 236 K N -0.634 119.763 120.400 -0.005 0.000 2.367 236 K HA 0.030 4.351 4.320 0.001 0.000 0.194 236 K C -0.324 176.292 176.600 0.028 0.000 1.027 236 K CA 0.035 56.320 56.287 -0.003 0.000 1.075 236 K CB 0.253 32.742 32.500 -0.018 0.000 0.845 236 K HN 0.296 nan 8.250 nan 0.000 0.529 237 D N 1.948 122.386 120.400 0.062 0.000 2.316 237 D HA 0.013 4.653 4.640 0.001 0.000 0.245 237 D C 0.445 176.786 176.300 0.069 0.000 1.171 237 D CA 0.186 54.244 54.000 0.096 0.000 0.856 237 D CB 0.978 41.895 40.800 0.195 0.000 1.090 237 D HN 0.050 nan 8.370 nan 0.000 0.476 238 E N 2.418 122.649 120.200 0.052 0.000 2.331 238 E HA -0.165 4.186 4.350 0.001 0.000 0.199 238 E C 1.296 177.912 176.600 0.025 0.000 1.008 238 E CA 0.645 57.069 56.400 0.038 0.000 0.843 238 E CB 0.308 30.029 29.700 0.035 0.000 0.761 238 E HN 0.430 nan 8.360 nan 0.000 0.507 239 R N 0.217 120.735 120.500 0.030 0.000 2.275 239 R HA 0.043 4.384 4.340 0.001 0.000 0.199 239 R C 0.276 176.576 176.300 0.000 0.000 0.989 239 R CA 0.124 56.225 56.100 0.002 0.000 1.016 239 R CB 0.451 30.750 30.300 -0.002 0.000 0.918 239 R HN -0.090 nan 8.270 nan 0.000 0.473 240 V N 2.459 122.397 119.914 0.039 0.000 2.339 240 V HA 0.049 4.169 4.120 0.001 0.000 0.261 240 V C 0.286 176.401 176.094 0.035 0.000 1.058 240 V CA -0.115 62.216 62.300 0.052 0.000 0.897 240 V CB 1.006 32.892 31.823 0.105 0.000 1.052 240 V HN 0.263 nan 8.190 nan 0.000 0.480 241 N N 3.478 122.183 118.700 0.008 0.000 2.216 241 N HA 0.031 4.772 4.740 0.001 0.000 0.183 241 N C 0.092 175.618 175.510 0.027 0.000 1.017 241 N CA 0.612 53.663 53.050 0.000 0.000 0.861 241 N CB 0.187 38.648 38.487 -0.044 0.000 0.986 241 N HN 0.527 nan 8.380 nan 0.000 0.428 242 L N 0.243 121.493 121.223 0.045 0.000 2.410 242 L HA 0.545 4.885 4.340 0.001 0.000 0.270 242 L C -1.895 175.018 176.870 0.071 0.000 0.983 242 L CA -1.039 53.826 54.840 0.042 0.000 0.822 242 L CB 1.697 43.771 42.059 0.025 0.000 1.285 242 L HN -0.118 nan 8.230 nan 0.000 0.409 243 L N 4.005 125.269 121.223 0.070 0.000 2.316 243 L HA 0.614 4.955 4.340 0.001 0.000 0.280 243 L C -0.497 176.448 176.870 0.124 0.000 1.006 243 L CA 0.194 55.102 54.840 0.114 0.000 0.836 243 L CB 1.427 43.554 42.059 0.114 0.000 1.221 243 L HN 0.722 nan 8.230 nan 0.000 0.418 244 S N 5.505 121.296 115.700 0.152 0.000 2.422 244 S HA 0.536 5.006 4.470 0.001 0.000 0.298 244 S C -0.895 173.840 174.600 0.224 0.000 1.118 244 S CA -0.380 57.914 58.200 0.157 0.000 1.083 244 S CB -0.026 63.266 63.200 0.153 0.000 0.971 244 S HN 0.457 nan 8.310 nan 0.000 0.478 245 F N 4.410 124.410 119.950 0.083 0.000 2.477 245 F HA 0.540 5.067 4.527 0.001 0.000 0.335 245 F C -0.371 175.483 175.800 0.089 0.000 1.130 245 F CA -0.247 57.804 58.000 0.086 0.000 0.948 245 F CB 1.819 40.854 39.000 0.059 0.000 1.154 245 F HN 0.432 nan 8.300 nan 0.000 0.439 246 T N 4.886 119.095 114.554 -0.575 0.000 2.786 246 T HA 0.801 5.151 4.350 0.001 0.000 0.283 246 T C -0.095 174.180 174.700 -0.708 0.000 0.992 246 T CA -0.329 61.548 62.100 -0.371 0.000 0.954 246 T CB 1.151 69.941 68.868 -0.129 0.000 0.934 246 T HN 1.070 nan 8.240 nan 0.000 0.440 247 G N 1.707 110.296 108.800 -0.351 0.000 2.323 247 G HA2 0.446 4.406 3.960 0.001 0.000 0.291 247 G HA3 0.446 4.406 3.960 0.001 0.000 0.291 247 G C -0.583 174.389 174.900 0.120 0.000 1.278 247 G CA -0.451 44.541 45.100 -0.181 0.000 0.860 247 G HN 0.876 nan 8.290 nan 0.000 0.504 248 S N -0.664 115.133 115.700 0.162 0.000 2.579 248 S HA 0.372 4.842 4.470 0.001 0.000 0.275 248 S C 1.408 176.119 174.600 0.184 0.000 1.345 248 S CA 1.051 59.325 58.200 0.124 0.000 1.031 248 S CB 1.231 64.485 63.200 0.090 0.000 0.892 248 S HN 0.848 nan 8.310 nan 0.000 0.529 249 T N 1.422 116.052 114.554 0.126 0.000 2.720 249 T HA -0.198 4.152 4.350 0.001 0.000 0.268 249 T C 1.865 176.592 174.700 0.046 0.000 1.037 249 T CA 1.897 64.056 62.100 0.099 0.000 1.144 249 T CB -0.490 68.451 68.868 0.123 0.000 0.864 249 T HN 0.809 nan 8.240 nan 0.000 0.444 250 Q N 0.366 120.200 119.800 0.056 0.000 2.061 250 Q HA -0.125 4.215 4.340 0.001 0.000 0.204 250 Q C 2.289 178.277 176.000 -0.020 0.000 0.984 250 Q CA 1.564 57.381 55.803 0.023 0.000 0.846 250 Q CB -0.173 28.590 28.738 0.041 0.000 0.902 250 Q HN 0.375 nan 8.270 nan 0.000 0.421 251 V N 0.183 120.098 119.914 0.002 0.000 2.379 251 V HA -0.120 4.000 4.120 0.001 0.000 0.245 251 V C 2.311 178.205 176.094 -0.333 0.000 1.044 251 V CA 1.680 63.931 62.300 -0.082 0.000 1.036 251 V CB -1.028 30.841 31.823 0.078 0.000 0.664 251 V HN 0.627 nan 8.190 nan 0.000 0.453 252 G N -0.150 108.471 108.800 -0.299 0.000 2.442 252 G HA2 -0.320 3.640 3.960 0.001 0.000 0.219 252 G HA3 -0.320 3.640 3.960 0.001 0.000 0.219 252 G C 1.622 176.341 174.900 -0.302 0.000 1.141 252 G CA 1.139 45.949 45.100 -0.483 0.000 0.763 252 G HN 0.501 nan 8.290 nan 0.000 0.554 253 K N -0.264 120.026 120.400 -0.182 0.000 2.032 253 K HA -0.160 4.160 4.320 0.001 0.000 0.209 253 K C 2.586 179.084 176.600 -0.169 0.000 1.048 253 K CA 1.435 57.626 56.287 -0.160 0.000 0.927 253 K CB -0.107 32.313 32.500 -0.134 0.000 0.712 253 K HN 0.169 nan 8.250 nan 0.000 0.441 254 Q N 0.378 120.071 119.800 -0.179 0.000 2.079 254 Q HA -0.103 4.237 4.340 0.001 0.000 0.200 254 Q C 2.307 178.193 176.000 -0.190 0.000 0.974 254 Q CA 1.177 56.885 55.803 -0.159 0.000 0.840 254 Q CB -0.464 28.194 28.738 -0.133 0.000 0.898 254 Q HN 0.199 nan 8.270 nan 0.000 0.430 255 V N 0.718 120.456 119.914 -0.293 0.000 2.287 255 V HA -0.218 3.903 4.120 0.001 0.000 0.248 255 V C 2.322 178.298 176.094 -0.197 0.000 1.053 255 V CA 2.064 64.187 62.300 -0.296 0.000 1.027 255 V CB -1.261 30.221 31.823 -0.567 0.000 0.646 255 V HN 0.467 nan 8.190 nan 0.000 0.447 256 G N -0.571 108.112 108.800 -0.195 0.000 2.422 256 G HA2 -0.198 3.762 3.960 0.001 0.000 0.218 256 G HA3 -0.198 3.762 3.960 0.001 0.000 0.218 256 G C 1.600 176.429 174.900 -0.118 0.000 1.146 256 G CA 0.882 45.905 45.100 -0.128 0.000 0.769 256 G HN 0.465 nan 8.290 nan 0.000 0.547 257 L N -0.312 120.836 121.223 -0.126 0.000 2.056 257 L HA -0.007 4.334 4.340 0.001 0.000 0.207 257 L C 3.086 179.886 176.870 -0.117 0.000 1.078 257 L CA 0.936 55.706 54.840 -0.117 0.000 0.749 257 L CB -0.298 41.697 42.059 -0.107 0.000 0.901 257 L HN 0.219 nan 8.230 nan 0.000 0.433 258 M N -1.108 118.427 119.600 -0.109 0.000 2.117 258 M HA -0.200 4.281 4.480 0.001 0.000 0.262 258 M C 2.272 178.520 176.300 -0.088 0.000 1.065 258 M CA 1.437 56.681 55.300 -0.093 0.000 1.114 258 M CB -0.392 32.159 32.600 -0.081 0.000 1.361 258 M HN 0.067 nan 8.290 nan 0.000 0.408 259 V N -0.015 119.850 119.914 -0.083 0.000 2.358 259 V HA -0.265 3.856 4.120 0.001 0.000 0.246 259 V C 2.330 178.365 176.094 -0.099 0.000 1.047 259 V CA 2.013 64.275 62.300 -0.063 0.000 1.035 259 V CB -0.757 31.042 31.823 -0.040 0.000 0.658 259 V HN 0.455 nan 8.190 nan 0.000 0.452 260 Q N 0.826 120.545 119.800 -0.135 0.000 2.084 260 Q HA -0.257 4.083 4.340 0.001 0.000 0.202 260 Q C 2.053 177.830 176.000 -0.372 0.000 0.978 260 Q CA 2.263 57.934 55.803 -0.220 0.000 0.844 260 Q CB -0.448 28.178 28.738 -0.187 0.000 0.898 260 Q HN 0.678 nan 8.270 nan 0.000 0.426 261 E N 0.604 120.647 120.200 -0.262 0.000 2.130 261 E HA -0.227 4.124 4.350 0.001 0.000 0.196 261 E C 1.224 177.667 176.600 -0.262 0.000 0.998 261 E CA 1.870 58.115 56.400 -0.259 0.000 0.806 261 E CB -0.170 29.443 29.700 -0.146 0.000 0.738 261 E HN 0.585 nan 8.360 nan 0.000 0.459 262 R N -1.142 119.256 120.500 -0.169 0.000 2.427 262 R HA 0.184 4.525 4.340 0.001 0.000 0.262 262 R C -0.221 176.120 176.300 0.069 0.000 0.943 262 R CA 0.118 56.195 56.100 -0.038 0.000 1.081 262 R CB -0.506 29.795 30.300 0.001 0.000 1.166 262 R HN -0.033 nan 8.270 nan 0.000 0.534 263 F N 0.679 120.622 119.950 -0.013 0.000 3.090 263 F HA -0.232 4.295 4.527 0.001 0.000 0.282 263 F C 0.968 176.761 175.800 -0.012 0.000 0.923 263 F CA 0.957 58.949 58.000 -0.013 0.000 0.977 263 F CB -1.638 37.354 39.000 -0.013 0.000 0.954 263 F HN 0.418 nan 8.300 nan 0.000 0.695 264 G N 0.031 108.888 108.800 0.095 0.000 2.525 264 G HA2 0.692 4.653 3.960 0.001 0.000 0.287 264 G HA3 0.692 4.653 3.960 0.001 0.000 0.287 264 G C -0.220 174.712 174.900 0.053 0.000 1.350 264 G CA -1.014 44.125 45.100 0.066 0.000 1.039 264 G HN 0.237 nan 8.290 nan 0.000 0.513 265 R N -0.584 119.938 120.500 0.035 0.000 2.514 265 R HA 0.550 4.890 4.340 0.001 0.000 0.301 265 R C -0.399 175.906 176.300 0.008 0.000 0.962 265 R CA -0.455 55.657 56.100 0.020 0.000 0.882 265 R CB 1.956 32.265 30.300 0.014 0.000 1.143 265 R HN 0.650 nan 8.270 nan 0.000 0.452 266 S N 2.370 118.068 115.700 -0.003 0.000 2.566 266 S HA 0.589 5.060 4.470 0.001 0.000 0.298 266 S C -0.751 173.843 174.600 -0.010 0.000 1.083 266 S CA -0.953 57.249 58.200 0.004 0.000 0.978 266 S CB 1.604 64.805 63.200 0.001 0.000 1.073 266 S HN 0.552 nan 8.310 nan 0.000 0.491 267 L N 2.717 123.946 121.223 0.011 0.000 2.388 267 L HA 0.561 4.901 4.340 0.001 0.000 0.267 267 L C -1.844 175.077 176.870 0.086 0.000 0.995 267 L CA -0.811 54.032 54.840 0.004 0.000 0.864 267 L CB 0.688 42.705 42.059 -0.070 0.000 1.216 267 L HN 0.734 nan 8.230 nan 0.000 0.430 268 L N 4.757 126.031 121.223 0.085 0.000 2.296 268 L HA 0.539 4.879 4.340 0.001 0.000 0.286 268 L C -0.336 176.614 176.870 0.132 0.000 1.023 268 L CA -0.521 54.408 54.840 0.148 0.000 0.812 268 L CB 1.618 43.736 42.059 0.098 0.000 1.223 268 L HN 0.513 nan 8.230 nan 0.000 0.421 269 E N 5.707 126.015 120.200 0.181 0.000 2.437 269 E HA 0.449 4.799 4.350 0.001 0.000 0.238 269 E C -0.679 176.013 176.600 0.155 0.000 0.969 269 E CA -0.138 56.352 56.400 0.150 0.000 0.759 269 E CB 1.958 31.767 29.700 0.183 0.000 1.283 269 E HN 0.526 nan 8.360 nan 0.000 0.416 270 L N -0.289 121.018 121.223 0.140 0.000 2.755 270 L HA 0.643 4.983 4.340 0.001 0.000 0.243 270 L C 1.198 178.142 176.870 0.123 0.000 1.579 270 L CA -1.222 53.709 54.840 0.152 0.000 1.669 270 L CB 0.069 42.222 42.059 0.156 0.000 2.294 270 L HN 0.341 nan 8.230 nan 0.000 0.588 271 G N -1.252 107.622 108.800 0.123 0.000 2.634 271 G HA2 0.487 4.447 3.960 0.001 0.000 0.255 271 G HA3 0.487 4.447 3.960 0.001 0.000 0.255 271 G C -0.507 174.478 174.900 0.141 0.000 1.205 271 G CA 0.179 45.357 45.100 0.131 0.000 0.884 271 G HN 0.714 nan 8.290 nan 0.000 0.549 272 G N -1.048 107.859 108.800 0.178 0.000 2.605 272 G HA2 0.445 4.406 3.960 0.001 0.000 0.296 272 G HA3 0.445 4.406 3.960 0.001 0.000 0.296 272 G C -0.995 174.016 174.900 0.184 0.000 1.304 272 G CA -0.582 44.616 45.100 0.163 0.000 0.941 272 G HN 0.656 nan 8.290 nan 0.000 0.475 273 N N 0.358 119.153 118.700 0.158 0.000 2.700 273 N HA 0.070 4.810 4.740 0.001 0.000 0.242 273 N C -0.943 174.681 175.510 0.189 0.000 1.541 273 N CA -0.541 52.616 53.050 0.178 0.000 0.764 273 N CB 0.155 38.723 38.487 0.136 0.000 1.319 273 N HN 0.440 nan 8.380 nan 0.000 0.518 274 N N 0.607 119.427 118.700 0.201 0.000 2.514 274 N HA 0.369 5.110 4.740 0.001 0.000 0.277 274 N C -0.334 175.336 175.510 0.265 0.000 1.126 274 N CA -0.092 53.083 53.050 0.208 0.000 0.978 274 N CB 1.748 40.348 38.487 0.188 0.000 1.106 274 N HN 0.390 nan 8.380 nan 0.000 0.461 275 A N 2.574 125.581 122.820 0.311 0.000 2.324 275 A HA 0.652 4.972 4.320 0.001 0.000 0.330 275 A C 0.021 177.834 177.584 0.382 0.000 1.165 275 A CA -0.674 51.609 52.037 0.411 0.000 0.813 275 A CB 0.586 19.916 19.000 0.551 0.000 1.197 275 A HN 0.670 nan 8.150 nan 0.000 0.484 276 I N 2.162 122.961 120.570 0.382 0.000 2.412 276 I HA 0.398 4.569 4.170 0.001 0.000 0.296 276 I C -0.760 175.583 176.117 0.377 0.000 0.987 276 I CA -0.314 61.205 61.300 0.365 0.000 1.180 276 I CB 1.686 39.874 38.000 0.313 0.000 1.340 276 I HN 0.480 nan 8.210 nan 0.000 0.455 277 I N 5.481 126.225 120.570 0.290 0.000 2.418 277 I HA 0.515 4.686 4.170 0.001 0.000 0.287 277 I C -0.100 176.162 176.117 0.242 0.000 1.008 277 I CA -0.516 60.893 61.300 0.182 0.000 1.104 277 I CB 1.863 39.776 38.000 -0.146 0.000 1.264 277 I HN 0.571 nan 8.210 nan 0.000 0.438 278 A N 6.897 129.875 122.820 0.263 0.000 2.256 278 A HA 0.719 5.040 4.320 0.001 0.000 0.317 278 A C -0.740 177.006 177.584 0.272 0.000 1.318 278 A CA -0.307 51.899 52.037 0.282 0.000 0.894 278 A CB 0.162 19.253 19.000 0.152 0.000 1.165 278 A HN 0.541 nan 8.150 nan 0.000 0.525 279 F N 0.433 120.581 119.950 0.331 0.000 2.378 279 F HA 0.234 4.761 4.527 0.001 0.000 0.319 279 F C 1.772 177.626 175.800 0.090 0.000 1.155 279 F CA 0.179 58.341 58.000 0.271 0.000 1.157 279 F CB 0.930 40.038 39.000 0.180 0.000 1.252 279 F HN 0.832 nan 8.300 nan 0.000 0.550 280 E N 0.573 120.820 120.200 0.078 0.000 2.160 280 E HA -0.249 4.102 4.350 0.001 0.000 0.195 280 E C 1.227 177.846 176.600 0.032 0.000 0.991 280 E CA 1.601 57.965 56.400 -0.061 0.000 0.810 280 E CB -0.093 29.401 29.700 -0.342 0.000 0.742 280 E HN 0.693 nan 8.360 nan 0.000 0.466 281 D N -0.039 120.409 120.400 0.081 0.000 2.328 281 D HA 0.049 4.690 4.640 0.001 0.000 0.226 281 D C 0.162 176.523 176.300 0.102 0.000 1.066 281 D CA 0.155 54.195 54.000 0.067 0.000 0.861 281 D CB -0.133 40.691 40.800 0.039 0.000 0.912 281 D HN 0.160 nan 8.370 nan 0.000 0.521 282 A N 0.690 123.603 122.820 0.155 0.000 2.483 282 A HA 0.132 4.452 4.320 0.001 0.000 0.238 282 A C 0.197 177.856 177.584 0.126 0.000 1.070 282 A CA -0.257 51.890 52.037 0.183 0.000 0.770 282 A CB 0.208 19.351 19.000 0.239 0.000 1.008 282 A HN 0.125 nan 8.150 nan 0.000 0.497 283 D N 2.184 122.668 120.400 0.139 0.000 2.344 283 D HA 0.165 4.806 4.640 0.001 0.000 0.253 283 D C 0.979 177.326 176.300 0.080 0.000 1.255 283 D CA 0.030 54.090 54.000 0.101 0.000 0.894 283 D CB 0.226 41.091 40.800 0.108 0.000 1.067 283 D HN 0.434 nan 8.370 nan 0.000 0.492 284 L N 2.896 124.145 121.223 0.042 0.000 2.201 284 L HA -0.149 4.192 4.340 0.001 0.000 0.212 284 L C 2.378 179.246 176.870 -0.004 0.000 1.105 284 L CA 0.975 55.818 54.840 0.005 0.000 0.775 284 L CB -0.500 41.560 42.059 0.001 0.000 0.913 284 L HN 0.417 nan 8.230 nan 0.000 0.440 285 S N -0.043 115.666 115.700 0.016 0.000 2.474 285 S HA -0.158 4.312 4.470 0.001 0.000 0.235 285 S C 1.780 176.395 174.600 0.026 0.000 0.997 285 S CA 0.804 59.013 58.200 0.016 0.000 0.949 285 S CB -0.210 63.003 63.200 0.022 0.000 0.766 285 S HN 0.347 nan 8.310 nan 0.000 0.517 286 L N 1.000 122.252 121.223 0.049 0.000 2.221 286 L HA 0.338 4.678 4.340 0.001 0.000 0.202 286 L C 2.392 179.258 176.870 -0.006 0.000 1.074 286 L CA 0.954 55.848 54.840 0.089 0.000 0.795 286 L CB -0.610 41.568 42.059 0.198 0.000 0.960 286 L HN 0.151 nan 8.230 nan 0.000 0.458 287 V N -0.639 119.185 119.914 -0.150 0.000 2.287 287 V HA -0.306 3.815 4.120 0.001 0.000 0.248 287 V C 2.485 178.399 176.094 -0.301 0.000 1.053 287 V CA 1.940 63.934 62.300 -0.509 0.000 1.027 287 V CB -0.622 30.982 31.823 -0.364 0.000 0.646 287 V HN 0.325 nan 8.190 nan 0.000 0.447 288 V N 0.799 120.629 119.914 -0.140 0.000 2.237 288 V HA -0.135 3.986 4.120 0.001 0.000 0.245 288 V C 0.276 176.355 176.094 -0.026 0.000 1.046 288 V CA 2.576 64.829 62.300 -0.079 0.000 1.007 288 V CB -1.958 29.833 31.823 -0.052 0.000 0.638 288 V HN 0.538 nan 8.190 nan 0.000 0.445 289 P HA -0.084 nan 4.420 nan 0.000 0.218 289 P C 1.836 179.189 177.300 0.088 0.000 1.149 289 P CA 1.526 64.650 63.100 0.041 0.000 0.817 289 P CB -0.061 31.657 31.700 0.031 0.000 0.785 290 S N 0.479 116.218 115.700 0.064 0.000 2.356 290 S HA -0.102 4.368 4.470 0.001 0.000 0.223 290 S C 2.242 176.940 174.600 0.164 0.000 1.032 290 S CA 1.454 59.749 58.200 0.158 0.000 1.005 290 S CB -1.078 62.245 63.200 0.205 0.000 0.867 290 S HN 0.199 nan 8.310 nan 0.000 0.449 291 A N 1.497 124.332 122.820 0.026 0.000 1.902 291 A HA -0.067 4.253 4.320 0.001 0.000 0.217 291 A C 2.144 179.799 177.584 0.117 0.000 1.181 291 A CA 1.520 53.588 52.037 0.052 0.000 0.623 291 A CB -0.779 18.205 19.000 -0.028 0.000 0.818 291 A HN 0.420 nan 8.150 nan 0.000 0.443 292 L N -1.430 119.869 121.223 0.126 0.000 2.012 292 L HA -0.132 4.209 4.340 0.001 0.000 0.210 292 L C 2.210 179.133 176.870 0.089 0.000 1.073 292 L CA 2.584 57.495 54.840 0.117 0.000 0.748 292 L CB -0.815 41.300 42.059 0.094 0.000 0.891 292 L HN 0.416 nan 8.230 nan 0.000 0.431 293 F N 0.411 120.373 119.950 0.020 0.000 2.113 293 F HA -0.089 4.438 4.527 0.001 0.000 0.297 293 F C 2.283 178.114 175.800 0.052 0.000 1.103 293 F CA 1.621 59.640 58.000 0.031 0.000 1.248 293 F CB -0.742 38.291 39.000 0.054 0.000 0.999 293 F HN 0.152 nan 8.300 nan 0.000 0.475 294 A N 0.203 123.080 122.820 0.095 0.000 1.930 294 A HA 0.015 4.335 4.320 0.001 0.000 0.217 294 A C 2.337 179.897 177.584 -0.040 0.000 1.175 294 A CA 1.701 53.744 52.037 0.011 0.000 0.627 294 A CB -1.449 17.663 19.000 0.186 0.000 0.815 294 A HN 0.510 nan 8.150 nan 0.000 0.443 295 A N -1.036 121.786 122.820 0.002 0.000 1.903 295 A HA 0.193 4.514 4.320 0.001 0.000 0.213 295 A C 1.957 179.504 177.584 -0.061 0.000 1.185 295 A CA 1.599 53.640 52.037 0.007 0.000 0.628 295 A CB -0.358 18.700 19.000 0.097 0.000 0.830 295 A HN 0.420 nan 8.150 nan 0.000 0.446 296 V N -0.188 119.650 119.914 -0.127 0.000 3.565 296 V HA 0.161 4.281 4.120 0.001 0.000 0.260 296 V C 1.569 177.596 176.094 -0.112 0.000 1.231 296 V CA 0.246 62.466 62.300 -0.133 0.000 1.100 296 V CB -0.674 30.964 31.823 -0.309 0.000 0.807 296 V HN 0.507 nan 8.190 nan 0.000 0.454 297 G N 0.412 109.056 108.800 -0.259 0.000 2.414 297 G HA2 0.274 4.235 3.960 0.001 0.000 0.236 297 G HA3 0.274 4.235 3.960 0.001 0.000 0.236 297 G C 0.771 175.519 174.900 -0.254 0.000 1.293 297 G CA 0.930 45.821 45.100 -0.350 0.000 0.869 297 G HN 0.478 nan 8.290 nan 0.000 0.556 298 T N -0.158 114.268 114.554 -0.214 0.000 4.210 298 T HA -0.151 4.199 4.350 0.001 0.000 0.329 298 T C 1.425 175.977 174.700 -0.247 0.000 0.793 298 T CA 1.572 63.538 62.100 -0.223 0.000 1.935 298 T CB -1.988 66.741 68.868 -0.232 0.000 1.918 298 T HN 2.626 nan 8.240 nan 0.000 0.875 299 A N -0.999 121.660 122.820 -0.268 0.000 2.783 299 A HA 0.174 4.495 4.320 0.001 0.000 0.292 299 A C 2.222 179.710 177.584 -0.161 0.000 1.495 299 A CA 1.507 53.384 52.037 -0.266 0.000 0.787 299 A CB -2.008 16.692 19.000 -0.500 0.000 1.017 299 A HN 2.688 nan 8.150 nan 0.000 0.516 300 G N -2.200 106.503 108.800 -0.162 0.000 2.153 300 G HA2 -0.290 3.671 3.960 0.001 0.000 0.252 300 G HA3 -0.290 3.671 3.960 0.001 0.000 0.252 300 G C 0.184 174.837 174.900 -0.412 0.000 0.994 300 G CA 0.914 45.900 45.100 -0.189 0.000 0.698 300 G HN 1.404 nan 8.290 nan 0.000 0.521 301 Q N -0.371 119.148 119.800 -0.467 0.000 2.241 301 Q HA 0.251 4.591 4.340 0.001 0.000 0.296 301 Q C 0.848 176.540 176.000 -0.514 0.000 0.889 301 Q CA -0.310 54.990 55.803 -0.839 0.000 1.089 301 Q CB 0.671 29.241 28.738 -0.280 0.000 1.195 301 Q HN 0.472 nan 8.270 nan 0.000 0.451 302 R N 0.079 120.416 120.500 -0.271 0.000 2.486 302 R HA 0.175 4.515 4.340 0.001 0.000 0.286 302 R C 1.264 177.732 176.300 0.280 0.000 0.999 302 R CA -0.226 55.975 56.100 0.168 0.000 0.993 302 R CB 1.031 31.453 30.300 0.204 0.000 1.084 302 R HN 0.386 nan 8.270 nan 0.000 0.487 303 C N -0.828 118.758 119.300 0.477 0.000 2.411 303 C HA -0.099 4.361 4.460 0.001 0.000 0.279 303 C C 2.059 177.228 174.990 0.299 0.000 1.288 303 C CA 0.895 60.165 59.018 0.421 0.000 1.764 303 C CB -1.404 26.536 27.740 0.333 0.000 1.974 303 C HN 0.872 nan 8.230 nan 0.000 0.498 304 T N -2.434 112.279 114.554 0.265 0.000 3.188 304 T HA 0.131 4.481 4.350 0.001 0.000 0.250 304 T C 0.390 175.191 174.700 0.168 0.000 1.077 304 T CA 0.146 62.377 62.100 0.218 0.000 0.967 304 T CB -0.765 68.251 68.868 0.247 0.000 1.006 304 T HN 0.504 nan 8.240 nan 0.000 0.552 305 T N 3.464 118.094 114.554 0.127 0.000 2.934 305 T HA 0.427 4.778 4.350 0.001 0.000 0.306 305 T C 0.636 175.402 174.700 0.111 0.000 1.042 305 T CA -0.118 62.019 62.100 0.061 0.000 1.145 305 T CB 0.296 69.147 68.868 -0.029 0.000 0.982 305 T HN 0.585 nan 8.240 nan 0.000 0.544 306 A N 4.061 126.947 122.820 0.109 0.000 2.444 306 A HA 0.249 4.569 4.320 0.001 0.000 0.273 306 A C 1.195 178.859 177.584 0.133 0.000 1.136 306 A CA -0.208 51.919 52.037 0.149 0.000 0.799 306 A CB 0.129 19.222 19.000 0.155 0.000 1.081 306 A HN 0.955 nan 8.150 nan 0.000 0.509 307 R N 1.361 121.969 120.500 0.181 0.000 2.344 307 R HA 0.131 4.472 4.340 0.001 0.000 0.209 307 R C -0.111 176.348 176.300 0.265 0.000 0.886 307 R CA 0.254 56.472 56.100 0.197 0.000 1.040 307 R CB 0.588 31.042 30.300 0.258 0.000 1.114 307 R HN 0.693 nan 8.270 nan 0.000 0.547 308 R N 1.173 121.841 120.500 0.281 0.000 2.513 308 R HA 0.362 4.702 4.340 0.001 0.000 0.301 308 R C -1.584 174.836 176.300 0.200 0.000 0.968 308 R CA -0.842 55.440 56.100 0.302 0.000 0.872 308 R CB 2.232 32.803 30.300 0.451 0.000 1.177 308 R HN -0.151 nan 8.270 nan 0.000 0.444 309 L N 4.090 125.333 121.223 0.033 0.000 2.345 309 L HA 0.493 4.834 4.340 0.001 0.000 0.274 309 L C -1.627 175.265 176.870 0.037 0.000 0.999 309 L CA -0.350 54.532 54.840 0.071 0.000 0.849 309 L CB 0.793 42.856 42.059 0.007 0.000 1.220 309 L HN 0.448 nan 8.230 nan 0.000 0.422 310 F N 6.055 126.210 119.950 0.342 0.000 2.405 310 F HA 0.591 5.118 4.527 0.000 0.000 0.355 310 F C 0.159 176.217 175.800 0.429 0.000 1.121 310 F CA -0.291 57.971 58.000 0.437 0.000 1.112 310 F CB 1.024 40.196 39.000 0.288 0.000 1.126 310 F HN 0.256 nan 8.300 nan 0.000 0.481 311 I N 2.888 123.818 120.570 0.600 0.000 2.498 311 I HA 0.213 4.383 4.170 0.001 0.000 0.290 311 I C -0.028 176.134 176.117 0.076 0.000 1.032 311 I CA -0.941 60.578 61.300 0.364 0.000 1.073 311 I CB 1.567 39.673 38.000 0.178 0.000 1.251 311 I HN 0.551 nan 8.210 nan 0.000 0.426 312 H N 5.743 124.576 119.070 -0.396 0.000 3.001 312 H HA 0.005 4.561 4.556 0.001 0.000 0.334 312 H C 0.735 175.879 175.328 -0.306 0.000 1.034 312 H CA 1.009 56.550 56.048 -0.844 0.000 1.420 312 H CB 1.079 30.465 29.762 -0.626 0.000 1.405 312 H HN 0.730 nan 8.280 nan 0.000 0.593 313 E N 2.031 121.702 120.200 -0.883 0.000 2.147 313 E HA -0.239 4.112 4.350 0.001 0.000 0.199 313 E C 2.107 178.618 176.600 -0.148 0.000 1.005 313 E CA 1.886 58.040 56.400 -0.411 0.000 0.810 313 E CB 0.123 29.564 29.700 -0.432 0.000 0.736 313 E HN 0.725 nan 8.360 nan 0.000 0.460 314 S N 0.767 116.462 115.700 -0.009 0.000 2.423 314 S HA -0.134 4.337 4.470 0.001 0.000 0.231 314 S C 1.941 176.596 174.600 0.092 0.000 1.014 314 S CA 1.239 59.512 58.200 0.121 0.000 0.965 314 S CB -0.456 62.891 63.200 0.245 0.000 0.785 314 S HN 0.469 nan 8.310 nan 0.000 0.495 315 I N -2.555 118.075 120.570 0.100 0.000 4.154 315 I HA 0.358 4.529 4.170 0.001 0.000 0.334 315 I C 2.075 178.230 176.117 0.064 0.000 1.371 315 I CA -0.329 61.014 61.300 0.071 0.000 1.110 315 I CB -0.443 37.596 38.000 0.064 0.000 1.085 315 I HN 0.131 nan 8.210 nan 0.000 0.398 316 H N 2.889 121.946 119.070 -0.022 0.000 2.289 316 H HA -0.203 4.353 4.556 0.001 0.000 0.296 316 H C 1.126 176.436 175.328 -0.030 0.000 1.091 316 H CA 2.699 58.732 56.048 -0.026 0.000 1.274 316 H CB 0.073 29.814 29.762 -0.035 0.000 1.364 316 H HN 0.355 nan 8.280 nan 0.000 0.490 317 D N 0.371 120.864 120.400 0.156 0.000 2.117 317 D HA -0.142 4.499 4.640 0.001 0.000 0.197 317 D C 2.256 178.535 176.300 -0.034 0.000 0.987 317 D CA 1.166 55.209 54.000 0.071 0.000 0.829 317 D CB -0.410 40.449 40.800 0.099 0.000 0.961 317 D HN 0.621 nan 8.370 nan 0.000 0.460 318 E N 0.523 120.712 120.200 -0.018 0.000 2.051 318 E HA -0.149 4.201 4.350 0.001 0.000 0.192 318 E C 2.047 178.606 176.600 -0.069 0.000 0.991 318 E CA 0.890 57.270 56.400 -0.033 0.000 0.799 318 E CB 0.127 29.820 29.700 -0.012 0.000 0.748 318 E HN 0.001 nan 8.360 nan 0.000 0.449 319 V N 0.571 120.431 119.914 -0.090 0.000 2.295 319 V HA -0.243 3.877 4.120 0.001 0.000 0.246 319 V C 2.461 178.451 176.094 -0.174 0.000 1.049 319 V CA 1.487 63.716 62.300 -0.119 0.000 1.024 319 V CB -0.283 31.471 31.823 -0.115 0.000 0.648 319 V HN 0.224 nan 8.190 nan 0.000 0.447 320 V N 0.686 120.452 119.914 -0.248 0.000 2.332 320 V HA -0.260 3.861 4.120 0.001 0.000 0.248 320 V C 2.343 178.320 176.094 -0.195 0.000 1.055 320 V CA 2.186 64.322 62.300 -0.274 0.000 1.038 320 V CB -0.895 30.712 31.823 -0.359 0.000 0.651 320 V HN 0.569 nan 8.190 nan 0.000 0.450 321 N N 0.353 118.971 118.700 -0.135 0.000 2.120 321 N HA -0.144 4.596 4.740 0.001 0.000 0.188 321 N C 1.986 177.440 175.510 -0.094 0.000 1.024 321 N CA 1.413 54.407 53.050 -0.093 0.000 0.852 321 N CB -0.376 38.078 38.487 -0.056 0.000 1.003 321 N HN 0.471 nan 8.380 nan 0.000 0.424 322 R N -0.015 120.431 120.500 -0.091 0.000 2.115 322 R HA -0.014 4.326 4.340 0.001 0.000 0.230 322 R C 1.906 178.148 176.300 -0.097 0.000 1.111 322 R CA 0.528 56.583 56.100 -0.076 0.000 0.976 322 R CB -0.290 29.974 30.300 -0.060 0.000 0.870 322 R HN 0.101 nan 8.270 nan 0.000 0.445 323 L N 1.479 122.612 121.223 -0.149 0.000 2.056 323 L HA -0.133 4.208 4.340 0.001 0.000 0.207 323 L C 1.762 178.444 176.870 -0.314 0.000 1.078 323 L CA 1.790 56.514 54.840 -0.194 0.000 0.749 323 L CB -0.284 41.602 42.059 -0.288 0.000 0.901 323 L HN -0.005 nan 8.230 nan 0.000 0.433 324 K N -0.543 119.650 120.400 -0.346 0.000 2.074 324 K HA -0.277 4.043 4.320 0.001 0.000 0.209 324 K C 2.167 178.635 176.600 -0.220 0.000 1.048 324 K CA 1.842 57.921 56.287 -0.347 0.000 0.926 324 K CB -0.248 32.173 32.500 -0.132 0.000 0.713 324 K HN 0.267 nan 8.250 nan 0.000 0.444 325 K N 0.840 121.172 120.400 -0.113 0.000 2.057 325 K HA -0.135 4.185 4.320 0.001 0.000 0.207 325 K C 2.130 178.700 176.600 -0.051 0.000 1.049 325 K CA 1.288 57.543 56.287 -0.054 0.000 0.931 325 K CB -0.093 32.386 32.500 -0.035 0.000 0.714 325 K HN 0.140 nan 8.250 nan 0.000 0.440 326 A N 0.092 122.887 122.820 -0.042 0.000 1.930 326 A HA -0.136 4.184 4.320 0.001 0.000 0.217 326 A C 1.844 179.423 177.584 -0.009 0.000 1.175 326 A CA 1.069 53.103 52.037 -0.005 0.000 0.627 326 A CB -0.743 18.274 19.000 0.028 0.000 0.815 326 A HN 0.395 nan 8.150 nan 0.000 0.443 327 Y N 0.018 120.110 120.300 -0.347 0.000 2.207 327 Y HA -0.120 4.430 4.550 0.001 0.000 0.287 327 Y C 2.824 178.491 175.900 -0.389 0.000 1.156 327 Y CA 0.470 58.262 58.100 -0.512 0.000 1.182 327 Y CB -0.762 37.064 38.460 -1.057 0.000 0.979 327 Y HN 0.332 nan 8.280 nan 0.000 0.521 328 A N -0.855 121.889 122.820 -0.126 0.000 2.121 328 A HA -0.112 4.208 4.320 0.001 0.000 0.218 328 A C 1.931 179.526 177.584 0.019 0.000 1.154 328 A CA 1.385 53.462 52.037 0.066 0.000 0.679 328 A CB -0.473 18.605 19.000 0.130 0.000 0.795 328 A HN 0.419 nan 8.150 nan 0.000 0.458 329 Q N -0.787 119.000 119.800 -0.022 0.000 2.319 329 Q HA 0.301 4.642 4.340 0.001 0.000 0.202 329 Q C 0.412 176.393 176.000 -0.032 0.000 0.896 329 Q CA -0.140 55.652 55.803 -0.019 0.000 0.942 329 Q CB -0.311 28.418 28.738 -0.015 0.000 1.083 329 Q HN 0.797 nan 8.270 nan 0.000 0.510 330 I N 2.286 122.818 120.570 -0.064 0.000 2.598 330 I HA 0.054 4.224 4.170 0.001 0.000 0.284 330 I C 0.893 176.992 176.117 -0.028 0.000 1.140 330 I CA 0.017 61.277 61.300 -0.067 0.000 1.420 330 I CB 0.374 38.271 38.000 -0.172 0.000 1.387 330 I HN 0.103 nan 8.210 nan 0.000 0.553 331 R N 6.422 126.923 120.500 0.002 0.000 2.296 331 R HA 0.344 4.684 4.340 0.001 0.000 0.323 331 R C -1.114 175.213 176.300 0.046 0.000 1.067 331 R CA -0.371 55.734 56.100 0.009 0.000 0.946 331 R CB 0.495 30.797 30.300 0.002 0.000 0.991 331 R HN 0.482 nan 8.270 nan 0.000 0.448 332 V N 4.349 124.285 119.914 0.036 0.000 2.539 332 V HA 0.776 4.897 4.120 0.001 0.000 0.292 332 V C 0.917 176.997 176.094 -0.022 0.000 1.045 332 V CA 0.106 62.453 62.300 0.079 0.000 0.945 332 V CB 1.369 33.224 31.823 0.054 0.000 0.993 332 V HN 1.065 nan 8.190 nan 0.000 0.464 333 G N 2.937 111.727 108.800 -0.016 0.000 2.348 333 G HA2 0.188 4.148 3.960 0.001 0.000 0.296 333 G HA3 0.188 4.148 3.960 0.001 0.000 0.296 333 G C -1.433 173.403 174.900 -0.107 0.000 1.258 333 G CA -0.913 44.119 45.100 -0.113 0.000 0.868 333 G HN 0.464 nan 8.290 nan 0.000 0.488 334 N N 1.882 120.394 118.700 -0.313 0.000 2.475 334 N HA 0.276 5.017 4.740 0.001 0.000 0.267 334 N C -1.438 173.653 175.510 -0.698 0.000 1.169 334 N CA -1.340 51.286 53.050 -0.706 0.000 0.947 334 N CB 1.952 39.678 38.487 -1.268 0.000 1.061 334 N HN 0.133 nan 8.380 nan 0.000 0.466 335 P HA -0.072 nan 4.420 nan 0.000 0.226 335 P C 0.802 178.070 177.300 -0.052 0.000 1.153 335 P CA 0.989 63.992 63.100 -0.163 0.000 0.777 335 P CB -0.063 31.634 31.700 -0.004 0.000 0.794 336 W N -0.554 120.778 121.300 0.054 0.000 3.180 336 W HA 0.277 4.937 4.660 0.001 0.000 0.254 336 W C -0.458 176.051 176.519 -0.016 0.000 1.318 336 W CA -0.485 56.869 57.345 0.015 0.000 1.608 336 W CB -1.031 28.457 29.460 0.047 0.000 1.124 336 W HN -0.253 nan 8.180 nan 0.000 0.694 337 D N 2.471 122.721 120.400 -0.250 0.000 2.277 337 D HA 0.163 4.804 4.640 0.001 0.000 0.249 337 D C -2.203 174.054 176.300 -0.072 0.000 1.134 337 D CA -1.755 52.160 54.000 -0.141 0.000 0.863 337 D CB 1.015 41.680 40.800 -0.225 0.000 1.143 337 D HN -0.233 nan 8.370 nan 0.000 0.458 338 P HA 0.004 nan 4.420 nan 0.000 0.264 338 P C 0.198 177.483 177.300 -0.024 0.000 1.183 338 P CA 0.206 63.294 63.100 -0.020 0.000 0.763 338 P CB 0.439 32.130 31.700 -0.015 0.000 0.807 339 N N -0.893 117.799 118.700 -0.012 0.000 2.936 339 N HA -0.141 4.599 4.740 0.001 0.000 0.236 339 N C -0.406 175.099 175.510 -0.009 0.000 0.930 339 N CA 0.699 53.745 53.050 -0.006 0.000 0.966 339 N CB -1.981 36.501 38.487 -0.007 0.000 1.090 339 N HN 0.172 nan 8.380 nan 0.000 0.592 340 V N 1.912 121.810 119.914 -0.026 0.000 2.585 340 V HA 0.024 4.144 4.120 0.001 0.000 0.296 340 V C 1.797 177.898 176.094 0.012 0.000 1.035 340 V CA 0.408 62.696 62.300 -0.021 0.000 1.084 340 V CB 0.905 32.686 31.823 -0.069 0.000 0.953 340 V HN 0.181 nan 8.190 nan 0.000 0.483 341 L N 4.666 125.917 121.223 0.047 0.000 2.664 341 L HA 0.333 4.673 4.340 0.001 0.000 0.233 341 L C -0.207 176.742 176.870 0.132 0.000 1.113 341 L CA 0.257 55.143 54.840 0.076 0.000 0.896 341 L CB 0.191 42.294 42.059 0.073 0.000 1.163 341 L HN 0.636 nan 8.230 nan 0.000 0.497 342 Y N 0.396 120.686 120.300 -0.016 0.000 2.330 342 Y HA 0.613 5.163 4.550 0.001 0.000 0.324 342 Y C 0.082 176.024 175.900 0.070 0.000 1.093 342 Y CA -0.945 57.151 58.100 -0.006 0.000 1.103 342 Y CB 1.416 39.866 38.460 -0.016 0.000 1.183 342 Y HN -0.087 nan 8.280 nan 0.000 0.433 343 G N 5.028 113.566 108.800 -0.436 0.000 2.938 343 G HA2 0.655 4.616 3.960 0.001 0.000 0.258 343 G HA3 0.655 4.616 3.960 0.001 0.000 0.258 343 G C -3.029 171.403 174.900 -0.781 0.000 1.356 343 G CA -1.877 43.020 45.100 -0.340 0.000 1.052 343 G HN 0.374 nan 8.290 nan 0.000 0.550 344 P HA 0.336 nan 4.420 nan 0.000 0.278 344 P C -0.015 176.989 177.300 -0.494 0.000 1.258 344 P CA -0.472 62.013 63.100 -1.024 0.000 0.811 344 P CB 1.501 32.626 31.700 -0.959 0.000 1.063 345 L N 1.077 122.086 121.223 -0.357 0.000 2.476 345 L HA 0.034 4.374 4.340 0.001 0.000 0.264 345 L C 2.218 179.028 176.870 -0.100 0.000 1.224 345 L CA -0.101 54.641 54.840 -0.164 0.000 0.821 345 L CB -0.335 41.654 42.059 -0.116 0.000 1.101 345 L HN 0.585 nan 8.230 nan 0.000 0.488 346 H N -0.093 118.882 119.070 -0.159 0.000 2.470 346 H HA -0.015 4.541 4.556 0.001 0.000 0.289 346 H C 0.427 175.618 175.328 -0.229 0.000 1.033 346 H CA 1.090 57.000 56.048 -0.230 0.000 1.331 346 H CB 0.296 29.740 29.762 -0.530 0.000 1.414 346 H HN 0.728 nan 8.280 nan 0.000 0.545 347 T N -3.475 110.944 114.554 -0.225 0.000 2.883 347 T HA 0.291 4.641 4.350 0.001 0.000 0.301 347 T C 0.653 175.275 174.700 -0.130 0.000 1.158 347 T CA -0.998 60.959 62.100 -0.238 0.000 1.007 347 T CB 2.134 70.863 68.868 -0.231 0.000 1.186 347 T HN 0.096 nan 8.240 nan 0.000 0.499 348 K N 0.204 120.532 120.400 -0.120 0.000 2.097 348 K HA -0.161 4.159 4.320 0.001 0.000 0.206 348 K C 2.281 178.861 176.600 -0.032 0.000 1.049 348 K CA 1.486 57.733 56.287 -0.067 0.000 0.933 348 K CB -0.177 32.278 32.500 -0.075 0.000 0.717 348 K HN 0.734 nan 8.250 nan 0.000 0.442 349 Q N 0.785 120.560 119.800 -0.043 0.000 2.152 349 Q HA -0.215 4.126 4.340 0.001 0.000 0.206 349 Q C 1.968 177.989 176.000 0.035 0.000 0.985 349 Q CA 1.777 57.577 55.803 -0.006 0.000 0.863 349 Q CB -0.126 28.602 28.738 -0.018 0.000 0.904 349 Q HN 0.364 nan 8.270 nan 0.000 0.422 350 A N -0.389 122.447 122.820 0.027 0.000 1.930 350 A HA -0.099 4.221 4.320 0.001 0.000 0.217 350 A C 2.166 179.823 177.584 0.121 0.000 1.175 350 A CA 1.316 53.405 52.037 0.087 0.000 0.627 350 A CB -0.503 18.541 19.000 0.073 0.000 0.815 350 A HN 0.304 nan 8.150 nan 0.000 0.443 351 V N -0.511 119.447 119.914 0.072 0.000 2.295 351 V HA -0.216 3.905 4.120 0.001 0.000 0.246 351 V C 2.791 179.003 176.094 0.197 0.000 1.049 351 V CA 2.311 64.677 62.300 0.110 0.000 1.024 351 V CB -0.850 31.000 31.823 0.044 0.000 0.648 351 V HN 0.643 nan 8.190 nan 0.000 0.447 352 S N -0.755 115.020 115.700 0.125 0.000 2.368 352 S HA -0.196 4.274 4.470 0.001 0.000 0.225 352 S C 2.035 176.711 174.600 0.127 0.000 1.030 352 S CA 1.597 59.864 58.200 0.112 0.000 0.999 352 S CB -0.243 62.996 63.200 0.064 0.000 0.844 352 S HN 0.416 nan 8.310 nan 0.000 0.459 353 M N 0.173 119.856 119.600 0.139 0.000 2.159 353 M HA -0.033 4.447 4.480 0.001 0.000 0.263 353 M C 1.988 178.395 176.300 0.178 0.000 1.063 353 M CA 1.171 56.557 55.300 0.143 0.000 1.110 353 M CB -1.243 31.448 32.600 0.152 0.000 1.374 353 M HN 0.544 nan 8.290 nan 0.000 0.411 354 F N 1.710 121.711 119.950 0.085 0.000 2.069 354 F HA -0.224 4.304 4.527 0.001 0.000 0.298 354 F C 2.001 177.847 175.800 0.076 0.000 1.113 354 F CA 1.673 59.725 58.000 0.086 0.000 1.214 354 F CB -0.441 38.605 39.000 0.078 0.000 0.978 354 F HN -0.017 nan 8.300 nan 0.000 0.474 355 L N 0.139 121.378 121.223 0.025 0.000 2.083 355 L HA -0.118 4.222 4.340 0.001 0.000 0.209 355 L C 2.828 179.635 176.870 -0.105 0.000 1.083 355 L CA 1.240 56.015 54.840 -0.109 0.000 0.752 355 L CB -1.569 40.533 42.059 0.071 0.000 0.899 355 L HN 0.400 nan 8.230 nan 0.000 0.433 356 G N -0.408 108.378 108.800 -0.023 0.000 2.418 356 G HA2 -0.232 3.728 3.960 0.001 0.000 0.217 356 G HA3 -0.232 3.728 3.960 0.001 0.000 0.217 356 G C 1.768 176.656 174.900 -0.019 0.000 1.158 356 G CA 0.786 45.882 45.100 -0.007 0.000 0.771 356 G HN 0.461 nan 8.290 nan 0.000 0.545 357 A N 0.079 122.887 122.820 -0.020 0.000 1.930 357 A HA 0.129 4.450 4.320 0.001 0.000 0.217 357 A C 2.595 180.165 177.584 -0.024 0.000 1.175 357 A CA 1.672 53.720 52.037 0.019 0.000 0.627 357 A CB -0.559 18.494 19.000 0.087 0.000 0.815 357 A HN 0.237 nan 8.150 nan 0.000 0.443 358 V N 0.076 119.881 119.914 -0.181 0.000 2.295 358 V HA -0.260 3.861 4.120 0.001 0.000 0.246 358 V C 2.619 178.662 176.094 -0.085 0.000 1.049 358 V CA 2.482 64.669 62.300 -0.188 0.000 1.024 358 V CB -0.697 30.898 31.823 -0.379 0.000 0.648 358 V HN 0.715 nan 8.190 nan 0.000 0.447 359 E N 0.189 120.341 120.200 -0.079 0.000 2.077 359 E HA -0.214 4.136 4.350 0.001 0.000 0.193 359 E C 2.183 178.772 176.600 -0.019 0.000 0.989 359 E CA 1.299 57.675 56.400 -0.040 0.000 0.800 359 E CB -0.210 29.471 29.700 -0.031 0.000 0.746 359 E HN 0.508 nan 8.360 nan 0.000 0.452 360 E N 0.084 120.279 120.200 -0.009 0.000 2.077 360 E HA -0.174 4.177 4.350 0.001 0.000 0.193 360 E C 1.990 178.590 176.600 0.001 0.000 0.989 360 E CA 1.152 57.551 56.400 -0.001 0.000 0.800 360 E CB -0.542 29.162 29.700 0.007 0.000 0.746 360 E HN 0.382 nan 8.360 nan 0.000 0.452 361 A N 1.580 124.416 122.820 0.027 0.000 1.908 361 A HA -0.230 4.090 4.320 0.001 0.000 0.218 361 A C 2.093 179.689 177.584 0.020 0.000 1.181 361 A CA 1.830 53.897 52.037 0.051 0.000 0.627 361 A CB -0.359 18.733 19.000 0.153 0.000 0.818 361 A HN 0.153 nan 8.150 nan 0.000 0.445 362 K N -0.202 120.201 120.400 0.005 0.000 2.057 362 K HA -0.111 4.210 4.320 0.001 0.000 0.206 362 K C 2.051 178.645 176.600 -0.010 0.000 1.050 362 K CA 1.536 57.819 56.287 -0.006 0.000 0.935 362 K CB -0.172 32.320 32.500 -0.014 0.000 0.715 362 K HN 0.422 nan 8.250 nan 0.000 0.439 363 K N 1.151 121.544 120.400 -0.012 0.000 2.103 363 K HA -0.155 4.166 4.320 0.001 0.000 0.207 363 K C 1.496 178.083 176.600 -0.021 0.000 1.048 363 K CA 1.300 57.577 56.287 -0.016 0.000 0.930 363 K CB 0.023 32.513 32.500 -0.016 0.000 0.716 363 K HN 0.228 nan 8.250 nan 0.000 0.444 364 E N -0.530 119.656 120.200 -0.023 0.000 2.494 364 E HA 0.018 4.368 4.350 0.001 0.000 0.193 364 E C 0.614 177.197 176.600 -0.027 0.000 1.074 364 E CA 0.286 56.665 56.400 -0.034 0.000 0.867 364 E CB 0.475 30.145 29.700 -0.049 0.000 0.924 364 E HN 0.531 nan 8.360 nan 0.000 0.502 365 G N 1.042 109.832 108.800 -0.017 0.000 2.176 365 G HA2 -0.225 3.735 3.960 0.001 0.000 0.232 365 G HA3 -0.225 3.735 3.960 0.001 0.000 0.232 365 G C 0.534 175.431 174.900 -0.004 0.000 0.986 365 G CA -0.310 44.783 45.100 -0.013 0.000 0.643 365 G HN 0.472 nan 8.290 nan 0.000 0.522 366 G N -0.601 108.201 108.800 0.004 0.000 2.572 366 G HA2 0.553 4.514 3.960 0.001 0.000 0.261 366 G HA3 0.553 4.514 3.960 0.001 0.000 0.261 366 G C -0.164 174.739 174.900 0.005 0.000 1.197 366 G CA 0.727 45.835 45.100 0.013 0.000 0.870 366 G HN 0.618 nan 8.290 nan 0.000 0.548 367 T N 0.403 114.957 114.554 0.001 0.000 2.812 367 T HA 0.331 4.681 4.350 0.001 0.000 0.282 367 T C -0.004 174.688 174.700 -0.013 0.000 0.990 367 T CA -0.335 61.761 62.100 -0.007 0.000 0.960 367 T CB 1.697 70.561 68.868 -0.007 0.000 0.948 367 T HN 0.305 nan 8.240 nan 0.000 0.438 368 V N 4.913 124.817 119.914 -0.017 0.000 2.415 368 V HA 0.059 4.180 4.120 0.001 0.000 0.267 368 V C 1.555 177.635 176.094 -0.022 0.000 1.042 368 V CA 0.121 62.408 62.300 -0.022 0.000 1.000 368 V CB 0.484 32.291 31.823 -0.027 0.000 1.015 368 V HN 0.886 nan 8.190 nan 0.000 0.478 369 V N 2.860 122.763 119.914 -0.020 0.000 3.471 369 V HA 0.340 4.460 4.120 0.001 0.000 0.258 369 V C 0.177 176.294 176.094 0.037 0.000 1.192 369 V CA 0.461 62.754 62.300 -0.011 0.000 1.116 369 V CB -0.560 31.243 31.823 -0.032 0.000 0.792 369 V HN 0.650 nan 8.190 nan 0.000 0.459 370 Y N -0.126 120.117 120.300 -0.095 0.000 2.482 370 Y HA 0.639 5.189 4.550 0.001 0.000 0.334 370 Y C 0.396 176.295 175.900 -0.002 0.000 1.091 370 Y CA 0.219 58.279 58.100 -0.067 0.000 1.027 370 Y CB 1.431 39.809 38.460 -0.137 0.000 1.306 370 Y HN 0.571 nan 8.280 nan 0.000 0.446 371 G N 2.589 111.148 108.800 -0.402 0.000 2.496 371 G HA2 0.248 4.208 3.960 0.001 0.000 0.243 371 G HA3 0.248 4.208 3.960 0.001 0.000 0.243 371 G C 0.775 175.682 174.900 0.011 0.000 1.176 371 G CA 0.689 45.715 45.100 -0.123 0.000 0.940 371 G HN 2.167 nan 8.290 nan 0.000 0.573 372 G N -1.627 107.289 108.800 0.193 0.000 2.194 372 G HA2 -0.099 3.861 3.960 0.001 0.000 0.236 372 G HA3 -0.099 3.861 3.960 0.001 0.000 0.236 372 G C 0.257 175.287 174.900 0.218 0.000 0.987 372 G CA 1.686 46.865 45.100 0.132 0.000 0.635 372 G HN 1.231 nan 8.290 nan 0.000 0.520 373 K N 0.000 120.570 120.400 0.284 0.000 2.350 373 K HA 0.721 5.042 4.320 0.001 0.000 0.241 373 K C 0.505 177.259 176.600 0.257 0.000 0.994 373 K CA -0.499 55.934 56.287 0.244 0.000 0.839 373 K CB 2.837 35.394 32.500 0.095 0.000 1.244 373 K HN 0.678 nan 8.250 nan 0.000 0.443 374 V N -0.894 119.136 119.914 0.194 0.000 2.811 374 V HA 0.248 4.368 4.120 0.001 0.000 0.302 374 V C 0.061 176.201 176.094 0.076 0.000 1.063 374 V CA -0.499 61.868 62.300 0.112 0.000 1.088 374 V CB 0.281 32.166 31.823 0.104 0.000 0.982 374 V HN 0.618 nan 8.190 nan 0.000 0.485 375 M N 2.984 122.630 119.600 0.076 0.000 2.235 375 M HA 0.253 4.734 4.480 0.001 0.000 0.351 375 M C 0.076 176.397 176.300 0.036 0.000 1.178 375 M CA -0.157 55.175 55.300 0.053 0.000 1.143 375 M CB 0.590 33.233 32.600 0.071 0.000 1.530 375 M HN 0.846 nan 8.290 nan 0.000 0.461 376 D N 4.695 125.098 120.400 0.005 0.000 2.551 376 D HA 0.166 4.807 4.640 0.001 0.000 0.223 376 D C -0.684 175.601 176.300 -0.025 0.000 1.144 376 D CA 0.074 54.073 54.000 -0.002 0.000 1.025 376 D CB 0.060 40.856 40.800 -0.007 0.000 1.085 376 D HN 0.555 nan 8.370 nan 0.000 0.506 377 R N 0.894 121.383 120.500 -0.018 0.000 2.709 377 R HA 0.518 4.859 4.340 0.001 0.000 0.270 377 R C -3.085 173.224 176.300 0.014 0.000 1.038 377 R CA -1.521 54.547 56.100 -0.053 0.000 0.872 377 R CB -0.232 29.952 30.300 -0.193 0.000 1.259 377 R HN -0.106 nan 8.270 nan 0.000 0.473 378 P HA 0.266 nan 4.420 nan 0.000 0.267 378 P C 0.117 177.547 177.300 0.217 0.000 1.200 378 P CA 1.426 64.583 63.100 0.095 0.000 0.772 378 P CB 0.531 32.283 31.700 0.085 0.000 0.855 379 G N 2.084 111.009 108.800 0.210 0.000 2.710 379 G HA2 -0.186 3.774 3.960 0.001 0.000 0.668 379 G HA3 -0.186 3.774 3.960 0.001 0.000 0.668 379 G C -0.485 174.520 174.900 0.176 0.000 1.320 379 G CA -0.777 44.460 45.100 0.229 0.000 0.860 379 G HN 0.522 nan 8.290 nan 0.000 0.538 380 N N 0.509 119.191 118.700 -0.031 0.000 3.052 380 N HA 0.280 5.020 4.740 0.001 0.000 0.302 380 N C -0.606 174.807 175.510 -0.162 0.000 1.332 380 N CA 0.211 53.210 53.050 -0.085 0.000 1.129 380 N CB -0.089 38.312 38.487 -0.143 0.000 1.436 380 N HN 0.433 nan 8.380 nan 0.000 0.536 381 Y N -0.013 120.265 120.300 -0.036 0.000 2.313 381 Y HA 0.312 4.862 4.550 0.001 0.000 0.332 381 Y C 0.963 176.831 175.900 -0.053 0.000 1.071 381 Y CA -0.905 57.179 58.100 -0.026 0.000 1.169 381 Y CB 1.099 39.574 38.460 0.025 0.000 1.192 381 Y HN -0.031 nan 8.280 nan 0.000 0.487 382 V N -0.308 119.621 119.914 0.026 0.000 2.864 382 V HA 0.553 4.673 4.120 0.001 0.000 0.314 382 V C -0.600 175.467 176.094 -0.045 0.000 1.073 382 V CA -1.410 60.771 62.300 -0.198 0.000 0.956 382 V CB 1.920 33.189 31.823 -0.922 0.000 1.023 382 V HN 0.731 nan 8.190 nan 0.000 0.435 383 E N 4.275 124.449 120.200 -0.043 0.000 2.324 383 E HA 0.289 4.639 4.350 0.001 0.000 0.271 383 E C -2.432 174.229 176.600 0.102 0.000 1.028 383 E CA -1.592 54.836 56.400 0.047 0.000 0.890 383 E CB 0.730 30.484 29.700 0.090 0.000 1.004 383 E HN 0.651 nan 8.360 nan 0.000 0.431 384 P HA -0.004 nan 4.420 nan 0.000 0.268 384 P C -0.739 176.833 177.300 0.453 0.000 1.205 384 P CA -0.065 63.112 63.100 0.128 0.000 0.771 384 P CB 0.878 32.417 31.700 -0.267 0.000 0.858 385 T N 3.705 118.521 114.554 0.437 0.000 2.861 385 T HA 0.585 4.936 4.350 0.001 0.000 0.287 385 T C 0.007 174.797 174.700 0.150 0.000 1.003 385 T CA -0.362 61.938 62.100 0.334 0.000 0.977 385 T CB 0.779 69.822 68.868 0.292 0.000 0.996 385 T HN 0.212 nan 8.240 nan 0.000 0.448 386 I N 2.519 123.104 120.570 0.025 0.000 2.406 386 I HA 0.544 4.715 4.170 0.001 0.000 0.290 386 I C -0.720 175.331 176.117 -0.110 0.000 0.999 386 I CA -1.122 60.095 61.300 -0.139 0.000 1.124 386 I CB 1.904 39.730 38.000 -0.290 0.000 1.289 386 I HN 0.236 nan 8.210 nan 0.000 0.441 387 V N 4.656 124.482 119.914 -0.146 0.000 2.409 387 V HA 0.459 4.579 4.120 0.001 0.000 0.291 387 V C 0.325 176.360 176.094 -0.099 0.000 1.020 387 V CA -0.461 61.791 62.300 -0.079 0.000 0.848 387 V CB 1.846 33.672 31.823 0.004 0.000 0.990 387 V HN 0.893 nan 8.190 nan 0.000 0.430 388 T N 0.631 115.149 114.554 -0.061 0.000 2.948 388 T HA 0.724 5.074 4.350 0.001 0.000 0.285 388 T C 1.002 175.689 174.700 -0.021 0.000 1.019 388 T CA 0.184 62.259 62.100 -0.042 0.000 1.013 388 T CB 1.700 70.588 68.868 0.033 0.000 1.117 388 T HN 1.739 nan 8.240 nan 0.000 0.533 389 G N 0.103 108.898 108.800 -0.009 0.000 2.199 389 G HA2 -0.196 3.765 3.960 0.001 0.000 0.254 389 G HA3 -0.196 3.765 3.960 0.001 0.000 0.254 389 G C 0.024 174.940 174.900 0.027 0.000 0.982 389 G CA 0.076 45.180 45.100 0.007 0.000 0.632 389 G HN 0.865 nan 8.290 nan 0.000 0.529 390 L N 1.308 122.555 121.223 0.039 0.000 2.452 390 L HA 0.531 4.872 4.340 0.001 0.000 0.267 390 L C 1.596 178.583 176.870 0.195 0.000 1.188 390 L CA -0.054 54.843 54.840 0.095 0.000 0.821 390 L CB 0.606 42.741 42.059 0.126 0.000 1.102 390 L HN 0.233 nan 8.230 nan 0.000 0.470 391 G N -0.659 108.173 108.800 0.054 0.000 2.491 391 G HA2 0.050 4.010 3.960 0.001 0.000 0.242 391 G HA3 0.050 4.010 3.960 0.001 0.000 0.242 391 G C 0.750 175.554 174.900 -0.161 0.000 1.266 391 G CA -0.158 44.890 45.100 -0.087 0.000 0.844 391 G HN 0.981 nan 8.290 nan 0.000 0.571 392 H N -0.193 118.605 119.070 -0.453 0.000 2.489 392 H HA -0.107 4.449 4.556 0.001 0.000 0.295 392 H C 1.227 176.278 175.328 -0.462 0.000 1.082 392 H CA 1.527 56.990 56.048 -0.976 0.000 1.295 392 H CB 0.237 29.349 29.762 -1.082 0.000 1.380 392 H HN 0.466 nan 8.280 nan 0.000 0.548 393 D N 0.587 120.505 120.400 -0.803 0.000 2.368 393 D HA 0.202 4.842 4.640 0.001 0.000 0.218 393 D C 0.527 176.496 176.300 -0.550 0.000 1.112 393 D CA 0.017 53.634 54.000 -0.638 0.000 0.834 393 D CB -0.526 39.896 40.800 -0.630 0.000 0.953 393 D HN 0.579 nan 8.370 nan 0.000 0.505 394 A N 0.393 123.008 122.820 -0.342 0.000 2.546 394 A HA 0.166 4.487 4.320 0.001 0.000 0.243 394 A C 1.703 179.138 177.584 -0.248 0.000 1.063 394 A CA 0.355 52.251 52.037 -0.235 0.000 0.757 394 A CB 0.360 19.282 19.000 -0.129 0.000 0.991 394 A HN 0.178 nan 8.150 nan 0.000 0.503 395 S N 1.782 117.362 115.700 -0.201 0.000 2.372 395 S HA -0.211 4.259 4.470 0.001 0.000 0.227 395 S C 1.779 176.333 174.600 -0.076 0.000 1.044 395 S CA 2.013 60.130 58.200 -0.138 0.000 1.050 395 S CB -0.447 62.700 63.200 -0.089 0.000 0.901 395 S HN 0.809 nan 8.310 nan 0.000 0.447 396 I N 1.592 122.096 120.570 -0.109 0.000 2.493 396 I HA 0.044 4.214 4.170 0.001 0.000 0.254 396 I C 2.197 178.166 176.117 -0.246 0.000 1.160 396 I CA 1.170 62.401 61.300 -0.115 0.000 1.445 396 I CB -0.722 37.216 38.000 -0.103 0.000 1.086 396 I HN 0.325 nan 8.210 nan 0.000 0.433 397 A N -1.275 121.335 122.820 -0.349 0.000 2.066 397 A HA -0.170 4.150 4.320 0.001 0.000 0.218 397 A C 2.138 179.783 177.584 0.101 0.000 1.157 397 A CA 1.298 53.147 52.037 -0.314 0.000 0.670 397 A CB -0.983 17.980 19.000 -0.061 0.000 0.804 397 A HN 0.620 nan 8.150 nan 0.000 0.453 398 H N -0.993 118.043 119.070 -0.056 0.000 2.548 398 H HA 0.057 4.613 4.556 0.001 0.000 0.265 398 H C -0.134 175.219 175.328 0.041 0.000 0.969 398 H CA 0.442 56.494 56.048 0.006 0.000 1.155 398 H CB 0.358 30.108 29.762 -0.019 0.000 1.394 398 H HN 0.334 nan 8.280 nan 0.000 0.570 399 T N 0.983 115.628 114.554 0.152 0.000 2.837 399 T HA 0.049 4.400 4.350 0.001 0.000 0.285 399 T C 0.160 174.971 174.700 0.186 0.000 0.984 399 T CA -0.581 61.604 62.100 0.143 0.000 1.049 399 T CB 2.312 71.249 68.868 0.116 0.000 0.947 399 T HN 0.252 nan 8.240 nan 0.000 0.472 400 E N 2.494 122.811 120.200 0.195 0.000 2.166 400 E HA 0.153 4.503 4.350 0.001 0.000 0.279 400 E C -0.727 176.039 176.600 0.277 0.000 1.095 400 E CA -0.200 56.352 56.400 0.252 0.000 0.888 400 E CB 0.331 30.179 29.700 0.247 0.000 1.041 400 E HN 0.475 nan 8.360 nan 0.000 0.414 401 T N 5.340 120.082 114.554 0.313 0.000 2.756 401 T HA 0.190 4.540 4.350 0.001 0.000 0.290 401 T C -0.380 174.546 174.700 0.376 0.000 0.985 401 T CA -0.466 61.825 62.100 0.318 0.000 0.955 401 T CB 0.185 69.221 68.868 0.280 0.000 0.930 401 T HN 0.302 nan 8.240 nan 0.000 0.451 402 F N 4.100 124.167 119.950 0.195 0.000 2.661 402 F HA 0.528 5.055 4.527 0.001 0.000 0.356 402 F C 0.661 176.579 175.800 0.196 0.000 1.244 402 F CA -0.717 57.402 58.000 0.198 0.000 1.290 402 F CB -0.973 38.165 39.000 0.230 0.000 1.677 402 F HN 0.714 nan 8.300 nan 0.000 0.649 403 A N 3.543 126.431 122.820 0.113 0.000 2.608 403 A HA 0.640 4.960 4.320 0.001 0.000 0.292 403 A C -2.884 174.768 177.584 0.112 0.000 1.066 403 A CA -1.235 50.887 52.037 0.141 0.000 0.676 403 A CB 1.290 20.498 19.000 0.346 0.000 1.277 403 A HN 0.072 nan 8.150 nan 0.000 0.413 404 P HA 0.440 nan 4.420 nan 0.000 0.238 404 P C -1.074 176.337 177.300 0.186 0.000 1.794 404 P CA 0.434 63.598 63.100 0.107 0.000 1.088 404 P CB -0.582 31.181 31.700 0.105 0.000 1.923 405 I N 3.470 124.088 120.570 0.080 0.000 2.439 405 I HA 0.299 4.469 4.170 0.001 0.000 0.285 405 I C -0.302 175.617 176.117 -0.330 0.000 1.021 405 I CA -1.100 60.135 61.300 -0.108 0.000 1.091 405 I CB 2.345 40.218 38.000 -0.212 0.000 1.242 405 I HN 0.023 nan 8.210 nan 0.000 0.439 406 L N 8.005 129.046 121.223 -0.303 0.000 2.280 406 L HA 0.480 4.820 4.340 0.001 0.000 0.287 406 L C -1.252 175.353 176.870 -0.441 0.000 1.023 406 L CA -0.220 54.453 54.840 -0.277 0.000 0.819 406 L CB 0.491 42.502 42.059 -0.079 0.000 1.212 406 L HN 0.267 nan 8.230 nan 0.000 0.420 407 Y N 4.568 124.793 120.300 -0.124 0.000 2.350 407 Y HA 0.513 5.064 4.550 0.001 0.000 0.340 407 Y C 0.137 175.613 175.900 -0.707 0.000 1.006 407 Y CA -0.701 57.180 58.100 -0.365 0.000 1.166 407 Y CB 1.129 39.455 38.460 -0.223 0.000 1.168 407 Y HN 0.269 nan 8.280 nan 0.000 0.502 408 V N 5.191 124.718 119.914 -0.645 0.000 2.483 408 V HA 0.478 4.598 4.120 0.001 0.000 0.295 408 V C -0.601 175.018 176.094 -0.792 0.000 1.035 408 V CA -0.991 60.962 62.300 -0.577 0.000 0.896 408 V CB 0.930 32.592 31.823 -0.268 0.000 0.986 408 V HN 0.452 nan 8.190 nan 0.000 0.447 409 F N 1.958 121.899 119.950 -0.016 0.000 2.576 409 F HA 0.596 5.123 4.527 0.000 0.000 0.313 409 F C 0.269 176.240 175.800 0.285 0.000 1.078 409 F CA -1.118 56.922 58.000 0.067 0.000 0.921 409 F CB 1.779 40.707 39.000 -0.119 0.000 1.232 409 F HN 0.274 nan 8.300 nan 0.000 0.459 410 K N 2.100 122.749 120.400 0.415 0.000 2.118 410 K HA 0.653 4.974 4.320 0.001 0.000 0.264 410 K C -1.028 175.923 176.600 0.585 0.000 1.000 410 K CA -0.478 56.000 56.287 0.318 0.000 0.929 410 K CB 1.189 33.690 32.500 0.001 0.000 1.021 410 K HN 0.596 nan 8.250 nan 0.000 0.463 411 F N -1.666 118.429 119.950 0.242 0.000 2.692 411 F HA 0.341 4.868 4.527 0.001 0.000 0.320 411 F C 0.382 176.133 175.800 -0.082 0.000 1.123 411 F CA -0.853 57.257 58.000 0.183 0.000 0.961 411 F CB 1.384 40.455 39.000 0.118 0.000 1.383 411 F HN 0.374 nan 8.300 nan 0.000 0.483 412 Q N 0.242 120.059 119.800 0.029 0.000 2.581 412 Q HA 0.315 4.656 4.340 0.001 0.000 0.222 412 Q C -0.634 175.513 176.000 0.245 0.000 0.904 412 Q CA 0.116 55.876 55.803 -0.072 0.000 0.923 412 Q CB 0.563 29.304 28.738 0.005 0.000 1.117 412 Q HN 0.779 nan 8.270 nan 0.000 0.618 413 N N 0.271 119.130 118.700 0.265 0.000 2.335 413 N HA 0.082 4.823 4.740 0.001 0.000 0.304 413 N C -0.054 175.511 175.510 0.092 0.000 1.135 413 N CA -0.270 52.882 53.050 0.170 0.000 0.817 413 N CB 1.837 40.336 38.487 0.019 0.000 1.294 413 N HN 0.077 nan 8.380 nan 0.000 0.497 414 E N 1.023 121.247 120.200 0.039 0.000 2.051 414 E HA -0.238 4.112 4.350 0.001 0.000 0.192 414 E C 0.496 176.756 176.600 -0.567 0.000 0.991 414 E CA 1.558 57.830 56.400 -0.212 0.000 0.799 414 E CB 0.213 29.706 29.700 -0.346 0.000 0.748 414 E HN 0.565 nan 8.360 nan 0.000 0.449 415 E N 1.141 121.105 120.200 -0.394 0.000 2.077 415 E HA -0.253 4.098 4.350 0.001 0.000 0.193 415 E C 2.001 178.392 176.600 -0.349 0.000 0.989 415 E CA 1.765 57.969 56.400 -0.326 0.000 0.800 415 E CB -0.356 29.232 29.700 -0.187 0.000 0.746 415 E HN 0.594 nan 8.360 nan 0.000 0.452 416 E N 0.938 120.860 120.200 -0.463 0.000 2.072 416 E HA -0.146 4.204 4.350 0.001 0.000 0.191 416 E C 2.210 178.028 176.600 -1.303 0.000 0.985 416 E CA 1.268 57.179 56.400 -0.815 0.000 0.801 416 E CB -0.412 28.782 29.700 -0.844 0.000 0.750 416 E HN 0.169 nan 8.360 nan 0.000 0.452 417 V N 0.122 119.409 119.914 -1.045 0.000 2.548 417 V HA -0.164 3.956 4.120 0.001 0.000 0.249 417 V C 1.838 177.658 176.094 -0.456 0.000 1.055 417 V CA 1.235 62.917 62.300 -1.031 0.000 1.065 417 V CB -0.580 30.423 31.823 -1.367 0.000 0.681 417 V HN 0.223 nan 8.190 nan 0.000 0.462 418 F N 1.235 120.953 119.950 -0.386 0.000 2.126 418 F HA -0.113 4.415 4.527 0.001 0.000 0.299 418 F C 2.554 178.272 175.800 -0.135 0.000 1.096 418 F CA 1.214 59.159 58.000 -0.091 0.000 1.255 418 F CB -1.644 37.375 39.000 0.033 0.000 0.997 418 F HN 0.256 nan 8.300 nan 0.000 0.479 419 A N -0.454 122.347 122.820 -0.031 0.000 1.908 419 A HA -0.198 4.123 4.320 0.001 0.000 0.218 419 A C 2.071 179.685 177.584 0.050 0.000 1.181 419 A CA 1.554 53.575 52.037 -0.027 0.000 0.627 419 A CB -1.241 17.717 19.000 -0.071 0.000 0.818 419 A HN 0.451 nan 8.150 nan 0.000 0.445 420 W N 0.020 121.161 121.300 -0.265 0.000 2.388 420 W HA -0.080 4.581 4.660 0.001 0.000 0.294 420 W C 2.043 178.387 176.519 -0.291 0.000 1.212 420 W CA 0.584 57.707 57.345 -0.370 0.000 1.271 420 W CB -1.487 27.552 29.460 -0.702 0.000 1.126 420 W HN 0.594 nan 8.180 nan 0.000 0.535 421 N N 0.954 119.581 118.700 -0.122 0.000 2.094 421 N HA -0.209 4.531 4.740 0.001 0.000 0.191 421 N C 1.232 176.765 175.510 0.039 0.000 1.023 421 N CA 1.977 55.034 53.050 0.012 0.000 0.857 421 N CB -0.404 38.148 38.487 0.110 0.000 1.013 421 N HN -0.125 nan 8.380 nan 0.000 0.426 422 N N 0.073 118.784 118.700 0.019 0.000 2.422 422 N HA -0.061 4.679 4.740 0.001 0.000 0.181 422 N C 0.890 176.402 175.510 0.004 0.000 1.080 422 N CA 0.546 53.592 53.050 -0.006 0.000 0.893 422 N CB -0.101 38.378 38.487 -0.013 0.000 0.973 422 N HN 0.688 nan 8.380 nan 0.000 0.456 423 E N 0.311 120.533 120.200 0.037 0.000 2.358 423 E HA -0.041 4.310 4.350 0.001 0.000 0.195 423 E C 0.771 177.345 176.600 -0.044 0.000 1.010 423 E CA 0.131 56.565 56.400 0.058 0.000 0.856 423 E CB -0.065 29.745 29.700 0.184 0.000 0.795 423 E HN 0.089 nan 8.360 nan 0.000 0.504 424 V N -0.839 118.964 119.914 -0.185 0.000 3.264 424 V HA 0.132 4.252 4.120 0.001 0.000 0.304 424 V C 1.058 177.044 176.094 -0.180 0.000 1.086 424 V CA -0.775 61.337 62.300 -0.313 0.000 1.090 424 V CB 1.461 33.080 31.823 -0.340 0.000 1.112 424 V HN -0.094 nan 8.190 nan 0.000 0.472 425 K N -0.031 120.237 120.400 -0.219 0.000 2.228 425 K HA 0.095 4.416 4.320 0.001 0.000 0.202 425 K C 0.897 177.370 176.600 -0.212 0.000 1.051 425 K CA 0.751 56.815 56.287 -0.373 0.000 0.960 425 K CB -0.246 31.805 32.500 -0.749 0.000 0.743 425 K HN 0.858 nan 8.250 nan 0.000 0.458 426 Q N -0.627 119.126 119.800 -0.078 0.000 2.417 426 Q HA 0.390 4.730 4.340 0.001 0.000 0.241 426 Q C 0.634 176.634 176.000 0.000 0.000 1.008 426 Q CA 0.357 56.171 55.803 0.018 0.000 0.901 426 Q CB 0.851 29.620 28.738 0.052 0.000 1.259 426 Q HN 0.258 nan 8.270 nan 0.000 0.489 427 G N 0.421 109.227 108.800 0.009 0.000 5.102 427 G HA2 0.221 4.182 3.960 0.001 0.000 0.212 427 G HA3 0.221 4.182 3.960 0.001 0.000 0.212 427 G C -0.491 174.378 174.900 -0.051 0.000 0.832 427 G CA -0.224 44.859 45.100 -0.027 0.000 0.718 427 G HN 0.425 nan 8.290 nan 0.000 0.506 428 L N 0.171 121.377 121.223 -0.028 0.000 2.121 428 L HA 0.613 4.954 4.340 0.001 0.000 0.200 428 L C 0.993 177.809 176.870 -0.090 0.000 1.132 428 L CA 1.313 56.109 54.840 -0.073 0.000 0.782 428 L CB -0.041 42.008 42.059 -0.017 0.000 0.940 428 L HN 0.186 nan 8.230 nan 0.000 0.458 429 S N -1.532 114.165 115.700 -0.006 0.000 2.634 429 S HA 0.808 5.278 4.470 0.001 0.000 0.296 429 S C -0.992 173.664 174.600 0.093 0.000 1.104 429 S CA -0.011 58.204 58.200 0.025 0.000 0.920 429 S CB 1.184 64.431 63.200 0.078 0.000 1.111 429 S HN 0.702 nan 8.310 nan 0.000 0.493 430 S N 0.916 116.700 115.700 0.140 0.000 2.565 430 S HA 0.753 5.224 4.470 0.001 0.000 0.274 430 S C -1.466 173.378 174.600 0.406 0.000 1.144 430 S CA -0.709 57.662 58.200 0.285 0.000 0.849 430 S CB 1.291 64.631 63.200 0.233 0.000 1.103 430 S HN 0.612 nan 8.310 nan 0.000 0.455 431 S N 1.140 117.121 115.700 0.468 0.000 2.543 431 S HA 0.660 5.130 4.470 0.001 0.000 0.271 431 S C -0.724 173.918 174.600 0.070 0.000 1.148 431 S CA -0.877 57.505 58.200 0.304 0.000 0.914 431 S CB 1.030 64.396 63.200 0.277 0.000 1.096 431 S HN 1.067 nan 8.310 nan 0.000 0.471 432 I N -0.680 119.715 120.570 -0.292 0.000 2.562 432 I HA 0.751 4.922 4.170 0.001 0.000 0.301 432 I C -1.528 174.480 176.117 -0.182 0.000 1.003 432 I CA -0.908 60.215 61.300 -0.296 0.000 1.127 432 I CB 1.315 38.889 38.000 -0.710 0.000 1.304 432 I HN 0.463 nan 8.210 nan 0.000 0.446 433 F N 3.110 123.103 119.950 0.070 0.000 2.427 433 F HA 0.688 5.215 4.527 0.000 0.000 0.348 433 F C 0.351 176.250 175.800 0.165 0.000 1.125 433 F CA -0.405 57.654 58.000 0.098 0.000 0.989 433 F CB 2.021 41.087 39.000 0.110 0.000 1.165 433 F HN 0.671 nan 8.300 nan 0.000 0.442 434 T N 1.896 116.547 114.554 0.161 0.000 2.831 434 T HA 0.246 4.596 4.350 0.001 0.000 0.333 434 T C -0.141 174.569 174.700 0.016 0.000 1.684 434 T CA -0.751 61.401 62.100 0.088 0.000 1.049 434 T CB 1.490 70.299 68.868 -0.099 0.000 1.518 434 T HN 0.663 nan 8.240 nan 0.000 0.491 435 K N 0.642 121.049 120.400 0.012 0.000 2.358 435 K HA 0.183 4.503 4.320 0.001 0.000 0.200 435 K C 0.098 176.689 176.600 -0.014 0.000 1.030 435 K CA -0.327 55.963 56.287 0.005 0.000 1.097 435 K CB 0.430 32.943 32.500 0.022 0.000 0.862 435 K HN 0.441 nan 8.250 nan 0.000 0.534 436 D N 1.838 122.208 120.400 -0.049 0.000 2.338 436 D HA -0.029 4.611 4.640 0.001 0.000 0.255 436 D C 0.936 177.226 176.300 -0.016 0.000 1.237 436 D CA -0.106 53.864 54.000 -0.051 0.000 0.883 436 D CB 1.160 41.894 40.800 -0.111 0.000 1.087 436 D HN -0.073 nan 8.370 nan 0.000 0.485 437 L N 5.620 126.865 121.223 0.036 0.000 2.012 437 L HA -0.049 4.291 4.340 0.001 0.000 0.210 437 L C 2.179 179.165 176.870 0.192 0.000 1.073 437 L CA 2.496 57.409 54.840 0.123 0.000 0.748 437 L CB -0.820 41.305 42.059 0.111 0.000 0.891 437 L HN 0.589 nan 8.230 nan 0.000 0.431 438 G N -1.074 107.789 108.800 0.106 0.000 2.421 438 G HA2 -0.318 3.642 3.960 0.001 0.000 0.216 438 G HA3 -0.318 3.642 3.960 0.001 0.000 0.216 438 G C 1.800 176.770 174.900 0.117 0.000 1.171 438 G CA 0.766 45.931 45.100 0.109 0.000 0.775 438 G HN 0.431 nan 8.290 nan 0.000 0.543 439 R N 0.048 120.561 120.500 0.023 0.000 2.105 439 R HA -0.003 4.338 4.340 0.001 0.000 0.239 439 R C 2.536 178.890 176.300 0.090 0.000 1.135 439 R CA 1.213 57.306 56.100 -0.011 0.000 0.967 439 R CB -0.329 29.820 30.300 -0.252 0.000 0.861 439 R HN 0.440 nan 8.270 nan 0.000 0.442 440 I N -0.106 120.486 120.570 0.035 0.000 2.179 440 I HA -0.278 3.892 4.170 0.001 0.000 0.242 440 I C 1.749 177.858 176.117 -0.014 0.000 1.088 440 I CA 1.395 62.685 61.300 -0.016 0.000 1.357 440 I CB -0.250 37.680 38.000 -0.116 0.000 1.051 440 I HN 0.136 nan 8.210 nan 0.000 0.409 441 F N 0.668 120.666 119.950 0.080 0.000 2.293 441 F HA -0.085 4.442 4.527 0.000 0.000 0.300 441 F C 2.617 178.474 175.800 0.094 0.000 1.086 441 F CA 1.060 59.101 58.000 0.069 0.000 1.375 441 F CB -0.340 38.681 39.000 0.034 0.000 1.045 441 F HN -0.120 nan 8.300 nan 0.000 0.516 442 R N -0.624 120.048 120.500 0.287 0.000 2.092 442 R HA -0.207 4.133 4.340 0.001 0.000 0.231 442 R C 2.258 178.744 176.300 0.311 0.000 1.119 442 R CA 1.407 57.676 56.100 0.281 0.000 0.970 442 R CB -0.819 29.657 30.300 0.292 0.000 0.864 442 R HN 0.497 nan 8.270 nan 0.000 0.440 443 W N 1.599 122.931 121.300 0.053 0.000 2.342 443 W HA -0.170 4.490 4.660 0.001 0.000 0.297 443 W C 1.023 177.403 176.519 -0.232 0.000 1.213 443 W CA 1.129 58.313 57.345 -0.269 0.000 1.251 443 W CB 0.020 29.315 29.460 -0.275 0.000 1.136 443 W HN 0.092 nan 8.180 nan 0.000 0.526 444 L N 0.412 121.581 121.223 -0.090 0.000 2.552 444 L HA 0.142 4.482 4.340 0.001 0.000 0.227 444 L C 1.564 178.358 176.870 -0.127 0.000 1.146 444 L CA 0.396 55.114 54.840 -0.202 0.000 0.858 444 L CB -1.084 40.884 42.059 -0.152 0.000 0.969 444 L HN -0.131 nan 8.230 nan 0.000 0.451 445 G N -0.104 108.668 108.800 -0.047 0.000 2.568 445 G HA2 0.282 4.243 3.960 0.001 0.000 0.293 445 G HA3 0.282 4.243 3.960 0.001 0.000 0.293 445 G C -1.734 173.139 174.900 -0.045 0.000 1.347 445 G CA -0.570 44.526 45.100 -0.006 0.000 1.039 445 G HN -0.104 nan 8.290 nan 0.000 0.523 446 P HA 0.049 nan 4.420 nan 0.000 0.226 446 P C 0.660 177.951 177.300 -0.016 0.000 1.153 446 P CA 0.843 63.926 63.100 -0.028 0.000 0.777 446 P CB 0.364 32.058 31.700 -0.010 0.000 0.794 447 K N -0.127 120.288 120.400 0.024 0.000 2.440 447 K HA 0.321 4.642 4.320 0.001 0.000 0.206 447 K C 1.219 177.896 176.600 0.128 0.000 1.025 447 K CA -0.036 56.293 56.287 0.070 0.000 1.135 447 K CB 0.639 33.197 32.500 0.098 0.000 0.856 447 K HN 0.112 nan 8.250 nan 0.000 0.502 448 G N 0.548 109.337 108.800 -0.019 0.000 2.849 448 G HA2 0.084 4.044 3.960 0.001 0.000 0.174 448 G HA3 0.084 4.044 3.960 0.001 0.000 0.174 448 G C -0.514 174.097 174.900 -0.482 0.000 1.370 448 G CA -0.351 44.610 45.100 -0.231 0.000 1.040 448 G HN 0.111 nan 8.290 nan 0.000 0.582 449 S N 0.113 115.202 115.700 -1.019 0.000 2.549 449 S HA 0.123 4.593 4.470 0.001 0.000 0.286 449 S C 0.899 175.172 174.600 -0.545 0.000 1.314 449 S CA 0.363 57.952 58.200 -1.018 0.000 1.062 449 S CB 0.675 62.846 63.200 -1.715 0.000 0.865 449 S HN 0.557 nan 8.310 nan 0.000 0.498 450 D N 2.677 122.867 120.400 -0.349 0.000 2.328 450 D HA 0.112 4.753 4.640 0.001 0.000 0.221 450 D C 0.372 176.550 176.300 -0.203 0.000 1.072 450 D CA -0.212 53.654 54.000 -0.223 0.000 0.850 450 D CB -0.796 39.922 40.800 -0.136 0.000 0.922 450 D HN 0.294 nan 8.370 nan 0.000 0.516 451 C N -0.349 118.798 119.300 -0.256 0.000 2.403 451 C HA 0.667 5.128 4.460 0.001 0.000 0.361 451 C C 2.244 177.111 174.990 -0.204 0.000 1.274 451 C CA -0.195 58.706 59.018 -0.195 0.000 2.433 451 C CB 1.069 28.707 27.740 -0.170 0.000 2.323 451 C HN 0.449 nan 8.230 nan 0.000 0.614 452 G N 0.110 108.799 108.800 -0.184 0.000 2.511 452 G HA2 0.129 4.090 3.960 0.001 0.000 0.217 452 G HA3 0.129 4.090 3.960 0.001 0.000 0.217 452 G C 0.318 175.090 174.900 -0.214 0.000 1.133 452 G CA 0.591 45.569 45.100 -0.203 0.000 0.792 452 G HN 0.681 nan 8.290 nan 0.000 0.539 453 I N 0.891 121.343 120.570 -0.197 0.000 2.418 453 I HA 0.379 4.549 4.170 0.001 0.000 0.287 453 I C -1.166 174.875 176.117 -0.125 0.000 1.008 453 I CA -0.755 60.458 61.300 -0.144 0.000 1.104 453 I CB 2.769 40.704 38.000 -0.109 0.000 1.264 453 I HN -0.300 nan 8.210 nan 0.000 0.438 454 V N 5.884 125.717 119.914 -0.134 0.000 2.398 454 V HA 0.411 4.532 4.120 0.001 0.000 0.282 454 V C -0.536 175.559 176.094 0.002 0.000 1.014 454 V CA -0.657 61.532 62.300 -0.185 0.000 0.838 454 V CB 1.233 32.779 31.823 -0.462 0.000 1.018 454 V HN 0.644 nan 8.190 nan 0.000 0.432 455 N N 2.491 121.307 118.700 0.193 0.000 2.404 455 N HA 0.780 5.520 4.740 0.001 0.000 0.297 455 N C -0.946 174.643 175.510 0.133 0.000 1.163 455 N CA -0.460 52.667 53.050 0.128 0.000 0.864 455 N CB 2.579 41.115 38.487 0.082 0.000 1.247 455 N HN 0.324 nan 8.380 nan 0.000 0.510 456 V N 2.184 122.063 119.914 -0.058 0.000 2.569 456 V HA 0.318 4.439 4.120 0.001 0.000 0.301 456 V C -0.160 175.717 176.094 -0.362 0.000 1.044 456 V CA -0.782 61.396 62.300 -0.203 0.000 0.874 456 V CB 1.266 33.011 31.823 -0.130 0.000 1.002 456 V HN 0.705 nan 8.190 nan 0.000 0.424 457 N N 2.312 120.551 118.700 -0.768 0.000 2.741 457 N HA -0.196 4.544 4.740 0.001 0.000 0.251 457 N C -0.551 174.627 175.510 -0.552 0.000 1.112 457 N CA 1.447 53.969 53.050 -0.879 0.000 0.750 457 N CB -0.649 37.666 38.487 -0.287 0.000 1.119 457 N HN 0.779 nan 8.380 nan 0.000 0.561 458 I N -0.790 119.479 120.570 -0.501 0.000 2.722 458 I HA 0.438 4.608 4.170 0.001 0.000 0.295 458 I C -2.414 173.761 176.117 0.096 0.000 1.161 458 I CA -1.969 59.301 61.300 -0.051 0.000 1.032 458 I CB 2.716 40.708 38.000 -0.013 0.000 1.244 458 I HN -0.278 nan 8.210 nan 0.000 0.421 459 P HA 0.147 nan 4.420 nan 0.000 0.282 459 P C 0.517 177.990 177.300 0.287 0.000 1.286 459 P CA 0.082 63.424 63.100 0.402 0.000 0.777 459 P CB 0.104 32.065 31.700 0.434 0.000 1.184 460 T N -4.109 110.613 114.554 0.281 0.000 2.995 460 T HA -0.079 4.271 4.350 0.001 0.000 0.269 460 T C 1.372 176.204 174.700 0.219 0.000 1.091 460 T CA 1.303 63.541 62.100 0.230 0.000 1.128 460 T CB -1.267 67.733 68.868 0.220 0.000 0.891 460 T HN 0.437 nan 8.240 nan 0.000 0.492 461 S N 0.751 116.601 115.700 0.251 0.000 2.631 461 S HA 0.356 4.826 4.470 0.001 0.000 0.217 461 S C 1.216 175.973 174.600 0.262 0.000 0.958 461 S CA -0.401 57.955 58.200 0.260 0.000 0.920 461 S CB -0.240 63.109 63.200 0.247 0.000 0.776 461 S HN 0.667 nan 8.310 nan 0.000 0.517 462 G N 1.178 110.111 108.800 0.223 0.000 2.389 462 G HA2 0.557 4.517 3.960 0.001 0.000 0.287 462 G HA3 0.557 4.517 3.960 0.001 0.000 0.287 462 G C -0.270 174.705 174.900 0.125 0.000 1.126 462 G CA 0.135 45.330 45.100 0.158 0.000 1.073 462 G HN 0.739 nan 8.290 nan 0.000 0.429 463 A N 3.004 125.886 122.820 0.104 0.000 2.608 463 A HA 0.859 5.180 4.320 0.001 0.000 0.292 463 A C -0.631 176.955 177.584 0.003 0.000 1.066 463 A CA -0.807 51.272 52.037 0.070 0.000 0.676 463 A CB 1.510 20.609 19.000 0.165 0.000 1.277 463 A HN 0.918 nan 8.150 nan 0.000 0.413 464 E N -0.038 120.128 120.200 -0.058 0.000 2.433 464 E HA 0.522 4.873 4.350 0.001 0.000 0.278 464 E C 0.343 176.821 176.600 -0.204 0.000 0.976 464 E CA -0.372 55.970 56.400 -0.097 0.000 0.793 464 E CB 1.218 30.880 29.700 -0.062 0.000 1.311 464 E HN 0.921 nan 8.360 nan 0.000 0.460 465 I N -1.555 118.869 120.570 -0.243 0.000 2.614 465 I HA 0.093 4.263 4.170 0.001 0.000 0.258 465 I C 1.649 177.458 176.117 -0.514 0.000 1.189 465 I CA 1.400 62.453 61.300 -0.411 0.000 1.462 465 I CB -0.308 37.468 38.000 -0.375 0.000 1.092 465 I HN 0.605 nan 8.210 nan 0.000 0.442 466 G N 1.182 109.756 108.800 -0.377 0.000 2.471 466 G HA2 0.114 4.074 3.960 0.001 0.000 0.219 466 G HA3 0.114 4.074 3.960 0.001 0.000 0.219 466 G C 0.847 175.643 174.900 -0.173 0.000 1.125 466 G CA 0.478 45.393 45.100 -0.309 0.000 0.775 466 G HN 0.591 nan 8.290 nan 0.000 0.548 467 G N -0.797 107.904 108.800 -0.165 0.000 2.437 467 G HA2 0.586 4.546 3.960 0.001 0.000 0.319 467 G HA3 0.586 4.546 3.960 0.001 0.000 0.319 467 G C -0.195 174.628 174.900 -0.129 0.000 1.158 467 G CA 0.056 45.091 45.100 -0.109 0.000 0.899 467 G HN 0.447 nan 8.290 nan 0.000 0.502 468 A N 0.140 122.907 122.820 -0.087 0.000 2.450 468 A HA 0.550 4.870 4.320 0.001 0.000 0.255 468 A C -0.946 176.592 177.584 -0.076 0.000 1.096 468 A CA -0.274 51.714 52.037 -0.082 0.000 0.778 468 A CB 0.187 19.145 19.000 -0.070 0.000 1.031 468 A HN 0.765 nan 8.150 nan 0.000 0.494 469 F N 2.612 122.415 119.950 -0.245 0.000 2.426 469 F HA 0.652 5.179 4.527 0.000 0.000 0.348 469 F C 0.439 176.151 175.800 -0.145 0.000 1.124 469 F CA 0.768 58.616 58.000 -0.252 0.000 1.008 469 F CB 1.375 40.092 39.000 -0.471 0.000 1.139 469 F HN 0.998 nan 8.300 nan 0.000 0.452 470 G N 2.666 110.996 108.800 -0.782 0.000 2.327 470 G HA2 0.465 4.426 3.960 0.001 0.000 0.291 470 G HA3 0.465 4.426 3.960 0.001 0.000 0.291 470 G C -1.499 173.147 174.900 -0.423 0.000 1.290 470 G CA -0.207 44.573 45.100 -0.533 0.000 0.857 470 G HN 1.071 nan 8.290 nan 0.000 0.520 471 G N -1.441 107.217 108.800 -0.237 0.000 2.818 471 G HA2 0.711 4.671 3.960 0.001 0.000 0.286 471 G HA3 0.711 4.671 3.960 0.001 0.000 0.286 471 G C -1.272 173.571 174.900 -0.095 0.000 1.364 471 G CA -0.398 44.603 45.100 -0.164 0.000 0.938 471 G HN 0.519 nan 8.290 nan 0.000 0.490 472 E N -0.198 119.958 120.200 -0.073 0.000 2.303 472 E HA 0.459 4.809 4.350 0.001 0.000 0.254 472 E C 0.131 176.732 176.600 0.002 0.000 0.979 472 E CA -0.554 55.819 56.400 -0.044 0.000 0.843 472 E CB 1.698 31.359 29.700 -0.065 0.000 1.245 472 E HN 0.651 nan 8.360 nan 0.000 0.413 473 K N -0.333 120.082 120.400 0.025 0.000 1.844 473 K HA -0.282 4.039 4.320 0.001 0.000 0.160 473 K C 1.240 177.944 176.600 0.172 0.000 1.448 473 K CA 1.495 57.841 56.287 0.099 0.000 0.446 473 K CB -1.135 31.402 32.500 0.061 0.000 0.635 473 K HN 0.645 nan 8.250 nan 0.000 0.848 474 H N 0.866 119.937 119.070 0.001 0.000 2.563 474 H HA -0.001 4.555 4.556 0.001 0.000 0.272 474 H C 1.307 176.649 175.328 0.023 0.000 1.005 474 H CA 0.985 57.041 56.048 0.014 0.000 1.171 474 H CB -0.017 29.760 29.762 0.024 0.000 1.351 474 H HN 0.380 nan 8.280 nan 0.000 0.602 475 T N -1.006 113.620 114.554 0.120 0.000 3.055 475 T HA 0.028 4.378 4.350 0.001 0.000 0.265 475 T C 1.842 176.573 174.700 0.052 0.000 1.111 475 T CA 0.895 63.038 62.100 0.073 0.000 1.118 475 T CB 0.183 69.068 68.868 0.028 0.000 0.909 475 T HN 0.713 nan 8.240 nan 0.000 0.501 476 G N 0.239 109.060 108.800 0.035 0.000 2.238 476 G HA2 -0.020 3.940 3.960 0.001 0.000 0.217 476 G HA3 -0.020 3.940 3.960 0.001 0.000 0.217 476 G C 1.052 175.953 174.900 0.003 0.000 0.996 476 G CA 0.219 45.330 45.100 0.019 0.000 0.632 476 G HN 1.227 nan 8.290 nan 0.000 0.503 477 G N -0.755 108.039 108.800 -0.010 0.000 2.217 477 G HA2 0.210 4.171 3.960 0.001 0.000 0.246 477 G HA3 0.210 4.171 3.960 0.001 0.000 0.246 477 G C 1.501 176.380 174.900 -0.033 0.000 0.990 477 G CA 1.060 46.143 45.100 -0.029 0.000 0.627 477 G HN 2.133 nan 8.290 nan 0.000 0.522 478 G N -0.271 108.521 108.800 -0.013 0.000 2.606 478 G HA2 0.555 4.516 3.960 0.001 0.000 0.252 478 G HA3 0.555 4.516 3.960 0.001 0.000 0.252 478 G C -0.074 174.816 174.900 -0.017 0.000 1.206 478 G CA -0.251 44.842 45.100 -0.010 0.000 0.861 478 G HN 0.378 nan 8.290 nan 0.000 0.561 479 R N 0.129 120.623 120.500 -0.009 0.000 2.744 479 R HA 0.471 4.812 4.340 0.001 0.000 0.279 479 R C -0.680 175.671 176.300 0.086 0.000 0.977 479 R CA -0.640 55.463 56.100 0.005 0.000 0.906 479 R CB 2.347 32.624 30.300 -0.039 0.000 1.197 479 R HN 0.724 nan 8.270 nan 0.000 0.463 480 E N -0.100 120.163 120.200 0.105 0.000 2.359 480 E HA 0.467 4.817 4.350 0.001 0.000 0.266 480 E C -0.245 176.304 176.600 -0.084 0.000 0.920 480 E CA -0.683 55.794 56.400 0.128 0.000 0.788 480 E CB 2.277 32.127 29.700 0.250 0.000 1.279 480 E HN 0.606 nan 8.360 nan 0.000 0.438 481 S N -0.642 114.996 115.700 -0.103 0.000 4.158 481 S HA -0.182 4.289 4.470 0.001 0.000 0.621 481 S C 0.727 175.264 174.600 -0.105 0.000 1.867 481 S CA 0.968 59.002 58.200 -0.277 0.000 4.249 481 S CB -1.645 61.113 63.200 -0.736 0.000 0.202 481 S HN 0.837 nan 8.310 nan 0.000 0.457 482 G N 0.254 108.952 108.800 -0.169 0.000 2.702 482 G HA2 0.610 4.570 3.960 0.001 0.000 0.254 482 G HA3 0.610 4.570 3.960 0.001 0.000 0.254 482 G C 0.512 175.455 174.900 0.071 0.000 1.380 482 G CA 0.912 45.979 45.100 -0.055 0.000 1.042 482 G HN 1.910 nan 8.290 nan 0.000 0.557 483 S N -0.754 115.018 115.700 0.120 0.000 3.711 483 S HA -0.312 4.159 4.470 0.001 0.000 0.625 483 S C 0.984 175.665 174.600 0.136 0.000 2.458 483 S CA 2.095 60.356 58.200 0.101 0.000 4.059 483 S CB -1.377 61.830 63.200 0.012 0.000 0.257 483 S HN 1.336 nan 8.310 nan 0.000 0.974 484 D N 1.507 121.891 120.400 -0.026 0.000 2.460 484 D HA 0.546 5.186 4.640 0.001 0.000 0.229 484 D C 1.249 177.285 176.300 -0.440 0.000 1.170 484 D CA 0.857 54.672 54.000 -0.307 0.000 0.827 484 D CB -0.553 39.999 40.800 -0.413 0.000 0.973 484 D HN 0.759 nan 8.370 nan 0.000 0.496 485 A N 1.154 123.905 122.820 -0.115 0.000 2.032 485 A HA -0.183 4.138 4.320 0.001 0.000 0.221 485 A C 1.974 179.604 177.584 0.077 0.000 1.165 485 A CA 1.321 53.347 52.037 -0.019 0.000 0.645 485 A CB -1.413 17.642 19.000 0.092 0.000 0.807 485 A HN 0.676 nan 8.150 nan 0.000 0.453 486 W N 0.428 121.785 121.300 0.096 0.000 2.331 486 W HA -0.197 4.464 4.660 0.000 0.000 0.291 486 W C 1.219 177.801 176.519 0.106 0.000 1.214 486 W CA 1.270 58.691 57.345 0.127 0.000 1.228 486 W CB -0.815 28.625 29.460 -0.033 0.000 1.135 486 W HN 0.292 nan 8.180 nan 0.000 0.537 487 K N 1.001 120.890 120.400 -0.852 0.000 2.211 487 K HA -0.197 4.123 4.320 0.001 0.000 0.204 487 K C 2.152 178.668 176.600 -0.140 0.000 1.047 487 K CA 2.026 57.773 56.287 -0.900 0.000 0.935 487 K CB -0.326 31.412 32.500 -1.269 0.000 0.728 487 K HN 0.322 nan 8.250 nan 0.000 0.452 488 Q N -0.678 119.070 119.800 -0.087 0.000 2.369 488 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 488 Q C 0.608 176.527 176.000 -0.135 0.000 0.963 488 Q CA 1.037 56.768 55.803 -0.121 0.000 0.894 488 Q CB 0.114 28.695 28.738 -0.261 0.000 0.965 488 Q HN 0.462 nan 8.270 nan 0.000 0.475 489 Y N -0.710 119.670 120.300 0.133 0.000 2.493 489 Y HA 0.273 4.823 4.550 0.001 0.000 0.275 489 Y C 0.481 176.529 175.900 0.247 0.000 1.183 489 Y CA -0.155 58.055 58.100 0.183 0.000 1.258 489 Y CB 0.410 38.986 38.460 0.194 0.000 1.108 489 Y HN 0.007 nan 8.280 nan 0.000 0.521 490 M N 0.229 120.076 119.600 0.411 0.000 2.631 490 M HA 0.433 4.913 4.480 0.001 0.000 0.288 490 M C -0.851 175.727 176.300 0.463 0.000 1.260 490 M CA -1.005 54.592 55.300 0.494 0.000 0.842 490 M CB 3.079 36.103 32.600 0.707 0.000 1.743 490 M HN -0.005 nan 8.290 nan 0.000 0.461 491 R N 0.987 121.700 120.500 0.356 0.000 2.393 491 R HA 0.632 4.972 4.340 0.001 0.000 0.310 491 R C -0.789 175.462 176.300 -0.081 0.000 0.968 491 R CA -0.870 55.317 56.100 0.146 0.000 0.867 491 R CB 1.888 32.231 30.300 0.073 0.000 1.124 491 R HN 0.657 nan 8.270 nan 0.000 0.450 492 R N 2.118 122.327 120.500 -0.486 0.000 2.390 492 R HA 0.182 4.522 4.340 0.001 0.000 0.291 492 R C -0.927 175.080 176.300 -0.489 0.000 1.070 492 R CA -0.157 55.322 56.100 -1.035 0.000 1.014 492 R CB 1.020 30.617 30.300 -1.172 0.000 1.007 492 R HN 0.960 nan 8.270 nan 0.000 0.466 493 S N 1.592 117.035 115.700 -0.429 0.000 2.526 493 S HA 0.385 4.856 4.470 0.001 0.000 0.293 493 S C -0.804 173.677 174.600 -0.199 0.000 1.092 493 S CA -0.828 57.235 58.200 -0.228 0.000 0.980 493 S CB 2.158 65.280 63.200 -0.129 0.000 1.048 493 S HN 0.491 nan 8.310 nan 0.000 0.483 494 T N 2.263 116.739 114.554 -0.130 0.000 2.756 494 T HA 0.514 4.865 4.350 0.001 0.000 0.290 494 T C -0.672 174.001 174.700 -0.044 0.000 0.985 494 T CA -0.406 61.646 62.100 -0.081 0.000 0.955 494 T CB -0.158 68.669 68.868 -0.069 0.000 0.930 494 T HN 0.815 nan 8.240 nan 0.000 0.451 495 C N 3.674 122.961 119.300 -0.021 0.000 2.340 495 C HA 0.627 5.087 4.460 0.001 0.000 0.323 495 C C 0.646 175.653 174.990 0.028 0.000 1.260 495 C CA -0.945 58.073 59.018 0.001 0.000 1.464 495 C CB 0.505 28.247 27.740 0.003 0.000 2.156 495 C HN 0.818 nan 8.230 nan 0.000 0.476 496 T N 4.263 118.840 114.554 0.039 0.000 2.771 496 T HA 0.561 4.911 4.350 0.001 0.000 0.281 496 T C -0.261 174.490 174.700 0.085 0.000 0.982 496 T CA -0.049 62.097 62.100 0.077 0.000 0.978 496 T CB 0.496 69.413 68.868 0.083 0.000 0.930 496 T HN 0.483 nan 8.240 nan 0.000 0.447 497 I N 3.856 124.488 120.570 0.103 0.000 2.382 497 I HA 0.284 4.454 4.170 0.001 0.000 0.285 497 I C 0.064 176.170 176.117 -0.019 0.000 1.007 497 I CA -0.919 60.423 61.300 0.070 0.000 1.142 497 I CB 1.182 39.244 38.000 0.103 0.000 1.289 497 I HN 0.450 nan 8.210 nan 0.000 0.453 498 N N 6.261 124.849 118.700 -0.186 0.000 2.402 498 N HA 0.013 4.753 4.740 0.001 0.000 0.252 498 N C 0.125 175.447 175.510 -0.313 0.000 1.118 498 N CA -0.147 52.532 53.050 -0.618 0.000 0.945 498 N CB 0.336 38.491 38.487 -0.553 0.000 1.147 498 N HN 0.490 nan 8.380 nan 0.000 0.495 499 Y N 1.441 121.591 120.300 -0.249 0.000 2.485 499 Y HA 0.387 4.938 4.550 0.001 0.000 0.260 499 Y C 0.566 176.400 175.900 -0.109 0.000 1.173 499 Y CA -0.869 57.153 58.100 -0.130 0.000 1.252 499 Y CB -0.663 37.748 38.460 -0.081 0.000 1.123 499 Y HN 0.309 nan 8.280 nan 0.000 0.524 500 S N 0.000 115.514 115.700 -0.310 0.000 2.498 500 S HA 0.000 4.470 4.470 0.001 0.000 0.327 500 S CA 0.000 58.089 58.200 -0.186 0.000 1.107 500 S CB 0.000 63.015 63.200 -0.309 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517