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 2qlr_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSXIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.091 176.300 -0.349 0.000 1.140 1 M CA 0.000 55.157 55.300 -0.239 0.000 0.988 1 M CB 0.000 32.452 32.600 -0.247 0.000 1.302 2 N N -0.114 118.431 118.700 -0.259 0.000 2.898 2 N HA 0.384 5.147 4.740 0.039 0.000 0.245 2 N C -0.561 174.953 175.510 0.006 0.000 1.185 2 N CA -0.342 52.633 53.050 -0.126 0.000 0.879 2 N CB 0.533 38.975 38.487 -0.074 0.000 1.157 2 N HN 0.660 nan 8.380 nan 0.000 0.503 3 Y N 1.621 122.065 120.300 0.240 0.000 2.298 3 Y HA -0.261 4.312 4.550 0.039 0.000 0.287 3 Y C 2.524 178.576 175.900 0.254 0.000 1.164 3 Y CA 1.193 59.481 58.100 0.314 0.000 1.229 3 Y CB 0.038 38.601 38.460 0.171 0.000 0.977 3 Y HN 0.657 nan 8.280 nan 0.000 0.538 4 A N 0.499 123.449 122.820 0.218 0.000 1.997 4 A HA -0.276 4.068 4.320 0.039 0.000 0.221 4 A C 2.209 179.789 177.584 -0.006 0.000 1.172 4 A CA 1.802 53.895 52.037 0.094 0.000 0.645 4 A CB -0.611 18.412 19.000 0.037 0.000 0.813 4 A HN 0.445 nan 8.150 nan 0.000 0.454 5 R N -1.884 118.513 120.500 -0.172 0.000 2.148 5 R HA -0.081 4.283 4.340 0.039 0.000 0.227 5 R C 0.010 175.951 176.300 -0.599 0.000 1.103 5 R CA 1.238 57.011 56.100 -0.545 0.000 0.983 5 R CB -0.163 29.497 30.300 -1.068 0.000 0.874 5 R HN 0.631 nan 8.270 nan 0.000 0.451 6 F N -0.462 119.551 119.950 0.105 0.000 2.855 6 F HA 0.382 4.932 4.527 0.039 0.000 0.317 6 F C -0.206 175.668 175.800 0.124 0.000 1.169 6 F CA -0.377 57.702 58.000 0.133 0.000 1.299 6 F CB 0.476 39.583 39.000 0.179 0.000 0.962 6 F HN -0.229 nan 8.300 nan 0.000 0.506 7 I N 0.030 120.715 120.570 0.192 0.000 2.439 7 I HA 0.192 4.385 4.170 0.039 0.000 0.285 7 I C 0.489 176.654 176.117 0.080 0.000 1.021 7 I CA -0.471 60.915 61.300 0.144 0.000 1.091 7 I CB 1.764 39.846 38.000 0.137 0.000 1.242 7 I HN -0.105 nan 8.210 nan 0.000 0.439 8 T N 4.024 118.625 114.554 0.077 0.000 2.906 8 T HA -0.018 4.356 4.350 0.039 0.000 0.329 8 T C 1.399 176.115 174.700 0.026 0.000 1.091 8 T CA 0.809 62.937 62.100 0.046 0.000 1.127 8 T CB 0.953 69.851 68.868 0.051 0.000 1.035 8 T HN 0.768 nan 8.240 nan 0.000 0.547 9 A N 3.407 126.234 122.820 0.012 0.000 1.908 9 A HA -0.026 4.317 4.320 0.039 0.000 0.218 9 A C 2.610 180.195 177.584 0.001 0.000 1.181 9 A CA 2.099 54.140 52.037 0.005 0.000 0.627 9 A CB -1.194 17.806 19.000 -0.001 0.000 0.818 9 A HN 0.992 nan 8.150 nan 0.000 0.445 10 A N -1.031 121.786 122.820 -0.004 0.000 1.940 10 A HA -0.113 4.231 4.320 0.039 0.000 0.219 10 A C 2.466 180.033 177.584 -0.027 0.000 1.176 10 A CA 2.228 54.253 52.037 -0.020 0.000 0.631 10 A CB -0.892 18.090 19.000 -0.029 0.000 0.814 10 A HN 0.540 nan 8.150 nan 0.000 0.446 11 S N -0.549 115.146 115.700 -0.009 0.000 2.345 11 S HA -0.011 4.482 4.470 0.039 0.000 0.220 11 S C 2.258 176.866 174.600 0.013 0.000 1.031 11 S CA 1.477 59.678 58.200 0.002 0.000 0.996 11 S CB -0.542 62.682 63.200 0.039 0.000 0.882 11 S HN 0.871 nan 8.310 nan 0.000 0.445 12 A N 1.159 123.994 122.820 0.025 0.000 1.997 12 A HA 0.002 4.345 4.320 0.039 0.000 0.221 12 A C 2.282 179.874 177.584 0.013 0.000 1.172 12 A CA 2.047 54.100 52.037 0.026 0.000 0.645 12 A CB -1.133 17.884 19.000 0.028 0.000 0.813 12 A HN 0.755 nan 8.150 nan 0.000 0.454 13 A N -0.424 122.398 122.820 0.003 0.000 2.119 13 A HA 0.083 4.426 4.320 0.039 0.000 0.216 13 A C 1.252 178.832 177.584 -0.007 0.000 1.152 13 A CA -0.115 51.920 52.037 -0.002 0.000 0.708 13 A CB -0.207 18.789 19.000 -0.007 0.000 0.805 13 A HN 0.587 nan 8.150 nan 0.000 0.460 14 R N 1.407 121.900 120.500 -0.012 0.000 2.585 14 R HA 0.141 4.505 4.340 0.039 0.000 0.275 14 R C -0.926 175.375 176.300 0.003 0.000 1.018 14 R CA 0.098 56.192 56.100 -0.010 0.000 1.072 14 R CB 0.064 30.356 30.300 -0.013 0.000 0.953 14 R HN 0.340 nan 8.270 nan 0.000 0.419 15 N N 2.744 121.445 118.700 0.003 0.000 2.370 15 N HA 0.312 5.075 4.740 0.039 0.000 0.303 15 N C -2.545 172.970 175.510 0.009 0.000 1.103 15 N CA -1.955 51.099 53.050 0.006 0.000 0.848 15 N CB 1.411 39.900 38.487 0.004 0.000 1.235 15 N HN 0.258 nan 8.380 nan 0.000 0.496 16 P HA -0.021 nan 4.420 nan 0.000 0.261 16 P C -0.283 177.021 177.300 0.007 0.000 1.173 16 P CA 0.404 63.510 63.100 0.010 0.000 0.760 16 P CB 0.463 32.168 31.700 0.008 0.000 0.783 17 S N 3.483 119.188 115.700 0.008 0.000 2.139 17 S HA 0.366 4.860 4.470 0.039 0.000 0.183 17 S C -2.427 172.171 174.600 -0.003 0.000 1.473 17 S CA -1.464 56.738 58.200 0.003 0.000 1.263 17 S CB -0.332 62.873 63.200 0.008 0.000 1.170 17 S HN 0.203 nan 8.310 nan 0.000 0.430 18 P HA 0.400 nan 4.420 nan 0.000 0.281 18 P C -0.261 177.015 177.300 -0.042 0.000 1.264 18 P CA -0.782 62.308 63.100 -0.016 0.000 0.824 18 P CB 0.620 32.314 31.700 -0.011 0.000 1.092 19 I N 1.009 121.540 120.570 -0.065 0.000 2.460 19 I HA 0.094 4.288 4.170 0.039 0.000 0.297 19 I C 1.394 177.480 176.117 -0.052 0.000 1.139 19 I CA -0.373 60.869 61.300 -0.097 0.000 1.340 19 I CB -0.638 37.258 38.000 -0.175 0.000 1.444 19 I HN 0.382 nan 8.210 nan 0.000 0.557 20 R N 3.416 123.893 120.500 -0.037 0.000 2.650 20 R HA 0.247 4.611 4.340 0.039 0.000 0.232 20 R C 1.254 177.545 176.300 -0.015 0.000 1.247 20 R CA -0.102 55.985 56.100 -0.021 0.000 1.061 20 R CB -0.706 29.584 30.300 -0.017 0.000 1.279 20 R HN 0.493 nan 8.270 nan 0.000 0.549 21 T N -1.535 113.013 114.554 -0.010 0.000 3.320 21 T HA -0.078 4.295 4.350 0.039 0.000 0.262 21 T C 1.482 176.178 174.700 -0.006 0.000 1.187 21 T CA 1.051 63.147 62.100 -0.007 0.000 1.038 21 T CB -0.760 68.106 68.868 -0.005 0.000 0.939 21 T HN 0.598 nan 8.240 nan 0.000 0.550 22 M N 1.443 121.039 119.600 -0.007 0.000 2.149 22 M HA -0.048 4.456 4.480 0.039 0.000 0.261 22 M C 1.980 178.279 176.300 -0.003 0.000 1.064 22 M CA 2.060 57.357 55.300 -0.004 0.000 1.102 22 M CB -1.327 31.271 32.600 -0.004 0.000 1.369 22 M HN 0.379 nan 8.290 nan 0.000 0.408 23 T N -3.487 111.064 114.554 -0.004 0.000 3.266 23 T HA 0.248 4.621 4.350 0.039 0.000 0.278 23 T C 0.424 175.120 174.700 -0.007 0.000 1.010 23 T CA -0.483 61.615 62.100 -0.004 0.000 0.909 23 T CB 0.261 69.128 68.868 -0.001 0.000 1.122 23 T HN 0.259 nan 8.240 nan 0.000 0.536 24 D N 0.520 120.916 120.400 -0.007 0.000 3.050 24 D HA 0.319 4.982 4.640 0.039 0.000 0.281 24 D C 1.919 178.216 176.300 -0.005 0.000 1.246 24 D CA -0.093 53.903 54.000 -0.007 0.000 1.073 24 D CB 0.321 41.117 40.800 -0.006 0.000 1.382 24 D HN 0.308 nan 8.370 nan 0.000 0.433 25 I N 1.164 121.732 120.570 -0.004 0.000 2.399 25 I HA -0.213 3.980 4.170 0.039 0.000 0.254 25 I C 1.290 177.404 176.117 -0.004 0.000 1.146 25 I CA 0.747 62.045 61.300 -0.004 0.000 1.412 25 I CB 0.129 38.128 38.000 -0.003 0.000 1.076 25 I HN -0.017 nan 8.210 nan 0.000 0.432 26 L N -0.215 121.006 121.223 -0.005 0.000 2.998 26 L HA 0.092 4.455 4.340 0.039 0.000 0.234 26 L C 0.930 177.796 176.870 -0.007 0.000 1.350 26 L CA 0.492 55.330 54.840 -0.005 0.000 1.202 26 L CB 0.019 42.076 42.059 -0.004 0.000 1.583 26 L HN -0.006 nan 8.230 nan 0.000 0.456 27 S N -0.811 114.885 115.700 -0.007 0.000 2.483 27 S HA 0.122 4.616 4.470 0.039 0.000 0.280 27 S C 1.395 175.990 174.600 -0.008 0.000 1.059 27 S CA -0.114 58.081 58.200 -0.009 0.000 1.359 27 S CB -0.090 63.104 63.200 -0.010 0.000 1.171 27 S HN 0.552 nan 8.310 nan 0.000 0.625 28 R N 1.478 121.974 120.500 -0.006 0.000 2.476 28 R HA 0.353 4.716 4.340 0.039 0.000 0.276 28 R C 0.690 176.987 176.300 -0.005 0.000 0.941 28 R CA 0.376 56.473 56.100 -0.006 0.000 1.088 28 R CB -0.366 29.931 30.300 -0.004 0.000 1.216 28 R HN 0.278 nan 8.270 nan 0.000 0.533 29 G N 2.169 110.966 108.800 -0.005 0.000 2.562 29 G HA2 0.465 4.449 3.960 0.039 0.000 0.275 29 G HA3 0.465 4.449 3.960 0.039 0.000 0.275 29 G C -2.372 172.524 174.900 -0.005 0.000 1.196 29 G CA -0.983 44.114 45.100 -0.005 0.000 0.908 29 G HN 0.109 nan 8.290 nan 0.000 0.524 30 P HA 0.199 nan 4.420 nan 0.000 0.268 30 P C 0.686 177.982 177.300 -0.006 0.000 1.205 30 P CA -0.434 62.663 63.100 -0.005 0.000 0.771 30 P CB 1.013 32.711 31.700 -0.004 0.000 0.858 31 K N 1.976 122.372 120.400 -0.006 0.000 2.144 31 K HA -0.196 4.148 4.320 0.039 0.000 0.209 31 K C 1.606 178.202 176.600 -0.006 0.000 1.047 31 K CA 2.230 58.513 56.287 -0.007 0.000 0.927 31 K CB -0.562 31.933 32.500 -0.007 0.000 0.716 31 K HN 0.538 nan 8.250 nan 0.000 0.454 32 S N -0.746 114.950 115.700 -0.006 0.000 2.650 32 S HA 0.051 4.544 4.470 0.039 0.000 0.219 32 S C 0.633 175.230 174.600 -0.005 0.000 0.960 32 S CA -0.400 57.796 58.200 -0.005 0.000 0.925 32 S CB -0.402 62.795 63.200 -0.005 0.000 0.775 32 S HN 0.240 nan 8.310 nan 0.000 0.525 33 M N 2.308 121.906 119.600 -0.005 0.000 2.250 33 M HA 0.328 4.831 4.480 0.039 0.000 0.337 33 M C -0.443 175.854 176.300 -0.004 0.000 1.161 33 M CA 0.076 55.373 55.300 -0.004 0.000 1.088 33 M CB 0.452 33.050 32.600 -0.004 0.000 1.639 33 M HN 0.512 nan 8.290 nan 0.000 0.447 34 I N 3.420 123.988 120.570 -0.004 0.000 2.418 34 I HA 0.516 4.709 4.170 0.039 0.000 0.287 34 I C -1.224 174.892 176.117 -0.003 0.000 1.008 34 I CA -0.023 61.275 61.300 -0.004 0.000 1.104 34 I CB 1.709 39.706 38.000 -0.004 0.000 1.264 34 I HN 0.616 nan 8.210 nan 0.000 0.438 35 S N 6.791 122.489 115.700 -0.002 0.000 2.454 35 S HA 0.589 5.082 4.470 0.039 0.000 0.306 35 S C 0.075 174.675 174.600 0.000 0.000 1.100 35 S CA -0.711 57.489 58.200 -0.001 0.000 1.087 35 S CB 1.195 64.395 63.200 -0.000 0.000 1.019 35 S HN 0.765 nan 8.310 nan 0.000 0.480 36 L N 3.918 125.141 121.223 0.001 0.000 2.910 36 L HA 0.389 4.753 4.340 0.039 0.000 0.252 36 L C 1.626 178.498 176.870 0.003 0.000 1.195 36 L CA -0.069 54.772 54.840 0.002 0.000 1.003 36 L CB 0.041 42.100 42.059 0.001 0.000 1.328 36 L HN 0.769 nan 8.230 nan 0.000 0.540 37 A N -0.019 122.802 122.820 0.003 0.000 2.220 37 A HA 0.352 4.696 4.320 0.039 0.000 0.211 37 A C 1.299 178.885 177.584 0.003 0.000 1.176 37 A CA 0.320 52.358 52.037 0.002 0.000 0.834 37 A CB -0.111 18.889 19.000 0.000 0.000 0.868 37 A HN 0.309 nan 8.150 nan 0.000 0.488 38 G N -0.982 107.822 108.800 0.006 0.000 2.442 38 G HA2 0.403 4.387 3.960 0.039 0.000 0.249 38 G HA3 0.403 4.387 3.960 0.039 0.000 0.249 38 G C 0.861 175.771 174.900 0.015 0.000 1.263 38 G CA 0.159 45.265 45.100 0.010 0.000 0.846 38 G HN 0.423 nan 8.290 nan 0.000 0.555 39 G N 1.076 109.882 108.800 0.011 0.000 2.985 39 G HA2 0.166 4.149 3.960 0.039 0.000 0.209 39 G HA3 0.166 4.149 3.960 0.039 0.000 0.209 39 G C 0.771 175.711 174.900 0.066 0.000 1.165 39 G CA -0.395 44.714 45.100 0.016 0.000 0.776 39 G HN 0.503 nan 8.290 nan 0.000 0.541 40 L N 1.986 123.265 121.223 0.093 0.000 2.456 40 L HA 0.248 4.612 4.340 0.039 0.000 0.272 40 L C -1.497 175.474 176.870 0.169 0.000 1.189 40 L CA -1.512 53.446 54.840 0.196 0.000 0.846 40 L CB 0.360 42.520 42.059 0.169 0.000 1.111 40 L HN 0.038 nan 8.230 nan 0.000 0.475 41 P HA 0.096 nan 4.420 nan 0.000 0.276 41 P C -0.915 176.376 177.300 -0.016 0.000 1.252 41 P CA -0.664 62.504 63.100 0.112 0.000 0.802 41 P CB 0.528 32.338 31.700 0.184 0.000 1.035 42 N N 1.680 120.314 118.700 -0.109 0.000 2.427 42 N HA 0.017 4.780 4.740 0.039 0.000 0.269 42 N C -1.120 174.073 175.510 -0.529 0.000 1.235 42 N CA -1.115 51.807 53.050 -0.213 0.000 0.934 42 N CB 0.466 38.857 38.487 -0.161 0.000 1.121 42 N HN 0.273 nan 8.380 nan 0.000 0.480 43 P HA -0.110 nan 4.420 nan 0.000 0.222 43 P C 0.296 177.269 177.300 -0.546 0.000 1.153 43 P CA 0.999 63.665 63.100 -0.722 0.000 0.798 43 P CB 0.285 31.893 31.700 -0.152 0.000 0.796 44 N N -0.386 118.133 118.700 -0.302 0.000 2.348 44 N HA -0.072 4.691 4.740 0.039 0.000 0.185 44 N C 1.605 177.013 175.510 -0.170 0.000 1.019 44 N CA 1.045 53.995 53.050 -0.168 0.000 0.880 44 N CB -0.285 38.135 38.487 -0.112 0.000 0.965 44 N HN 0.162 nan 8.380 nan 0.000 0.437 45 M N -0.039 119.390 119.600 -0.285 0.000 2.394 45 M HA 0.049 4.552 4.480 0.039 0.000 0.264 45 M C 0.441 176.703 176.300 -0.062 0.000 1.073 45 M CA 0.305 55.491 55.300 -0.189 0.000 1.111 45 M CB -0.793 31.676 32.600 -0.218 0.000 1.401 45 M HN -0.055 nan 8.290 nan 0.000 0.448 46 F N 1.688 121.623 119.950 -0.025 0.000 2.518 46 F HA 0.034 4.585 4.527 0.040 0.000 0.359 46 F C -1.020 174.722 175.800 -0.096 0.000 1.118 46 F CA -1.710 56.262 58.000 -0.047 0.000 1.287 46 F CB -0.021 38.996 39.000 0.028 0.000 1.132 46 F HN 0.051 nan 8.300 nan 0.000 0.587 47 P HA 0.005 nan 4.420 nan 0.000 0.234 47 P C -0.319 176.873 177.300 -0.180 0.000 1.175 47 P CA 0.692 63.668 63.100 -0.207 0.000 0.801 47 P CB 0.157 31.616 31.700 -0.401 0.000 0.891 48 F N 0.350 120.356 119.950 0.093 0.000 2.375 48 F HA 0.348 4.899 4.527 0.040 0.000 0.333 48 F C 1.759 177.627 175.800 0.113 0.000 1.104 48 F CA -0.344 57.704 58.000 0.080 0.000 1.149 48 F CB 0.806 39.845 39.000 0.066 0.000 1.190 48 F HN -0.366 nan 8.300 nan 0.000 0.533 49 K N -0.100 120.475 120.400 0.292 0.000 2.511 49 K HA 0.184 4.527 4.320 0.039 0.000 0.206 49 K C 0.094 176.802 176.600 0.181 0.000 1.333 49 K CA 0.541 56.947 56.287 0.198 0.000 0.957 49 K CB 0.868 33.443 32.500 0.124 0.000 1.172 49 K HN 0.809 nan 8.250 nan 0.000 0.547 50 T N -1.786 112.873 114.554 0.176 0.000 2.792 50 T HA 0.801 5.174 4.350 0.039 0.000 0.303 50 T C -1.553 173.218 174.700 0.117 0.000 1.310 50 T CA -0.857 61.333 62.100 0.150 0.000 1.007 50 T CB 2.269 71.194 68.868 0.094 0.000 1.335 50 T HN 0.053 nan 8.240 nan 0.000 0.504 51 A N 0.696 123.546 122.820 0.051 0.000 2.488 51 A HA 0.760 5.103 4.320 0.039 0.000 0.298 51 A C -1.319 176.174 177.584 -0.152 0.000 1.044 51 A CA -0.771 51.218 52.037 -0.080 0.000 0.693 51 A CB 1.953 20.807 19.000 -0.243 0.000 1.272 51 A HN 1.089 nan 8.150 nan 0.000 0.402 52 V N 3.420 123.252 119.914 -0.136 0.000 2.443 52 V HA 0.493 4.637 4.120 0.039 0.000 0.293 52 V C -0.673 175.328 176.094 -0.155 0.000 1.021 52 V CA -0.108 62.115 62.300 -0.128 0.000 0.848 52 V CB 1.229 33.013 31.823 -0.065 0.000 0.998 52 V HN 0.732 nan 8.190 nan 0.000 0.424 53 I N 4.470 124.924 120.570 -0.193 0.000 2.447 53 I HA 0.439 4.632 4.170 0.039 0.000 0.287 53 I C 0.387 176.419 176.117 -0.143 0.000 1.023 53 I CA -0.389 60.802 61.300 -0.182 0.000 1.083 53 I CB 2.555 40.397 38.000 -0.263 0.000 1.245 53 I HN 0.673 nan 8.210 nan 0.000 0.434 54 T N 3.016 117.505 114.554 -0.108 0.000 2.909 54 T HA 0.647 5.020 4.350 0.039 0.000 0.286 54 T C -0.394 174.251 174.700 -0.090 0.000 1.002 54 T CA -0.689 61.360 62.100 -0.085 0.000 1.074 54 T CB 1.980 70.815 68.868 -0.055 0.000 0.984 54 T HN 0.216 nan 8.240 nan 0.000 0.495 55 V N 2.414 122.281 119.914 -0.078 0.000 2.443 55 V HA 0.331 4.474 4.120 0.039 0.000 0.293 55 V C 0.250 176.341 176.094 -0.004 0.000 1.021 55 V CA -0.887 61.370 62.300 -0.073 0.000 0.848 55 V CB 1.319 33.062 31.823 -0.135 0.000 0.998 55 V HN 1.059 nan 8.190 nan 0.000 0.424 56 E N 4.296 124.510 120.200 0.023 0.000 2.415 56 E HA 0.107 4.481 4.350 0.039 0.000 0.260 56 E C 0.308 176.988 176.600 0.133 0.000 1.016 56 E CA 0.542 56.979 56.400 0.062 0.000 0.924 56 E CB 0.011 29.744 29.700 0.056 0.000 0.961 56 E HN 0.791 nan 8.360 nan 0.000 0.459 57 N N 1.755 120.532 118.700 0.129 0.000 2.990 57 N HA -0.131 4.632 4.740 0.039 0.000 0.247 57 N C -0.643 175.044 175.510 0.296 0.000 1.096 57 N CA 0.423 53.592 53.050 0.198 0.000 0.797 57 N CB -0.974 37.658 38.487 0.243 0.000 1.114 57 N HN 0.667 nan 8.380 nan 0.000 0.549 58 G N -0.213 108.689 108.800 0.171 0.000 2.340 58 G HA2 0.292 4.275 3.960 0.039 0.000 0.298 58 G HA3 0.292 4.275 3.960 0.039 0.000 0.298 58 G C -1.534 173.379 174.900 0.020 0.000 1.498 58 G CA -1.044 44.131 45.100 0.126 0.000 0.847 58 G HN 0.127 nan 8.290 nan 0.000 0.594 59 K N 0.450 120.845 120.400 -0.008 0.000 2.448 59 K HA 0.382 4.726 4.320 0.039 0.000 0.278 59 K C 1.121 177.677 176.600 -0.072 0.000 1.009 59 K CA 0.483 56.751 56.287 -0.032 0.000 0.995 59 K CB 0.398 32.879 32.500 -0.031 0.000 0.917 59 K HN 0.747 nan 8.250 nan 0.000 0.481 60 T N 2.020 116.537 114.554 -0.060 0.000 2.919 60 T HA 0.223 4.596 4.350 0.039 0.000 0.302 60 T C 0.408 175.052 174.700 -0.093 0.000 1.031 60 T CA -0.612 61.440 62.100 -0.081 0.000 1.127 60 T CB 0.260 69.088 68.868 -0.066 0.000 0.952 60 T HN 0.377 nan 8.240 nan 0.000 0.540 61 I N 3.500 123.992 120.570 -0.129 0.000 2.416 61 I HA 0.220 4.413 4.170 0.039 0.000 0.288 61 I C 0.738 176.785 176.117 -0.115 0.000 1.051 61 I CA -0.258 60.967 61.300 -0.125 0.000 1.375 61 I CB 0.771 38.667 38.000 -0.173 0.000 1.407 61 I HN 0.611 nan 8.210 nan 0.000 0.516 62 Q N 6.866 126.660 119.800 -0.011 0.000 2.340 62 Q HA 0.484 4.847 4.340 0.039 0.000 0.268 62 Q C -1.223 174.951 176.000 0.290 0.000 1.031 62 Q CA -0.469 55.358 55.803 0.041 0.000 0.804 62 Q CB 2.625 31.377 28.738 0.022 0.000 1.286 62 Q HN 0.564 nan 8.270 nan 0.000 0.448 63 F N 1.279 121.159 119.950 -0.117 0.000 2.307 63 F HA 0.335 4.886 4.527 0.040 0.000 0.369 63 F C 1.176 176.943 175.800 -0.055 0.000 1.076 63 F CA -1.072 56.857 58.000 -0.118 0.000 1.149 63 F CB 1.130 40.029 39.000 -0.168 0.000 1.410 63 F HN 0.703 nan 8.300 nan 0.000 0.481 64 G N 1.832 110.700 108.800 0.114 0.000 2.661 64 G HA2 -0.064 3.920 3.960 0.039 0.000 0.272 64 G HA3 -0.064 3.920 3.960 0.039 0.000 0.272 64 G C 0.896 175.839 174.900 0.071 0.000 1.296 64 G CA -0.312 44.829 45.100 0.068 0.000 0.998 64 G HN 0.648 nan 8.290 nan 0.000 0.553 65 E N -0.540 119.690 120.200 0.051 0.000 2.150 65 E HA -0.124 4.249 4.350 0.039 0.000 0.193 65 E C 2.072 178.698 176.600 0.044 0.000 0.985 65 E CA 1.309 57.744 56.400 0.058 0.000 0.814 65 E CB 0.066 29.791 29.700 0.042 0.000 0.752 65 E HN 0.652 nan 8.360 nan 0.000 0.466 66 E N 0.957 121.164 120.200 0.013 0.000 2.051 66 E HA -0.131 4.243 4.350 0.039 0.000 0.189 66 E C 1.970 178.546 176.600 -0.040 0.000 0.979 66 E CA 0.728 57.122 56.400 -0.011 0.000 0.803 66 E CB -0.048 29.637 29.700 -0.026 0.000 0.761 66 E HN 0.044 nan 8.360 nan 0.000 0.451 67 M N -0.162 119.392 119.600 -0.077 0.000 2.175 67 M HA -0.020 4.484 4.480 0.039 0.000 0.264 67 M C 1.981 178.156 176.300 -0.208 0.000 1.063 67 M CA 1.395 56.575 55.300 -0.200 0.000 1.119 67 M CB -0.298 32.133 32.600 -0.282 0.000 1.377 67 M HN 0.298 nan 8.290 nan 0.000 0.415 68 M N 0.216 119.804 119.600 -0.020 0.000 2.108 68 M HA -0.176 4.328 4.480 0.039 0.000 0.261 68 M C 1.818 178.207 176.300 0.148 0.000 1.066 68 M CA 1.995 57.380 55.300 0.142 0.000 1.107 68 M CB -0.470 32.276 32.600 0.243 0.000 1.356 68 M HN 0.256 nan 8.290 nan 0.000 0.406 69 K N -0.875 119.589 120.400 0.106 0.000 2.097 69 K HA -0.183 4.160 4.320 0.039 0.000 0.206 69 K C 2.221 178.882 176.600 0.102 0.000 1.049 69 K CA 1.659 58.021 56.287 0.126 0.000 0.933 69 K CB -0.290 32.249 32.500 0.065 0.000 0.717 69 K HN 0.413 nan 8.250 nan 0.000 0.442 70 R N 0.742 121.251 120.500 0.017 0.000 2.073 70 R HA -0.067 4.297 4.340 0.039 0.000 0.229 70 R C 2.174 178.467 176.300 -0.011 0.000 1.120 70 R CA 1.303 57.392 56.100 -0.017 0.000 0.967 70 R CB -0.248 29.996 30.300 -0.094 0.000 0.862 70 R HN 0.152 nan 8.270 nan 0.000 0.436 71 A N 1.219 124.008 122.820 -0.052 0.000 1.986 71 A HA -0.132 4.211 4.320 0.039 0.000 0.220 71 A C 2.045 179.757 177.584 0.213 0.000 1.171 71 A CA 1.399 53.454 52.037 0.029 0.000 0.640 71 A CB -0.457 18.522 19.000 -0.035 0.000 0.811 71 A HN 0.401 nan 8.150 nan 0.000 0.451 72 L N -1.343 120.016 121.223 0.226 0.000 2.558 72 L HA 0.110 4.473 4.340 0.039 0.000 0.225 72 L C 1.062 178.008 176.870 0.126 0.000 1.128 72 L CA -0.120 54.827 54.840 0.178 0.000 0.868 72 L CB -0.163 42.070 42.059 0.290 0.000 1.006 72 L HN 0.371 nan 8.230 nan 0.000 0.454 73 Q N -0.371 119.530 119.800 0.169 0.000 2.215 73 Q HA 0.259 4.623 4.340 0.039 0.000 0.256 73 Q C -0.979 175.087 176.000 0.110 0.000 0.972 73 Q CA -0.695 55.211 55.803 0.171 0.000 0.889 73 Q CB 0.778 29.623 28.738 0.180 0.000 1.281 73 Q HN 0.014 nan 8.270 nan 0.000 0.456 74 Y N 0.803 121.194 120.300 0.152 0.000 2.811 74 Y HA 0.153 4.726 4.550 0.039 0.000 0.334 74 Y C 0.790 176.565 175.900 -0.208 0.000 1.247 74 Y CA 0.783 58.923 58.100 0.066 0.000 1.526 74 Y CB 0.301 38.844 38.460 0.139 0.000 1.284 74 Y HN 0.619 nan 8.280 nan 0.000 0.586 75 S N 2.883 118.284 115.700 -0.498 0.000 2.806 75 S HA 0.749 5.242 4.470 0.039 0.000 0.315 75 S C -2.924 171.484 174.600 -0.320 0.000 1.127 75 S CA -2.037 55.940 58.200 -0.372 0.000 0.918 75 S CB 1.677 64.683 63.200 -0.323 0.000 1.240 75 S HN 0.266 nan 8.310 nan 0.000 0.552 76 P HA 0.252 nan 4.420 nan 0.000 0.268 76 P C 0.463 177.763 177.300 -0.001 0.000 1.208 76 P CA -0.182 62.882 63.100 -0.060 0.000 0.777 76 P CB 0.279 31.959 31.700 -0.032 0.000 0.875 77 S N 1.614 117.343 115.700 0.047 0.000 2.387 77 S HA -0.192 4.302 4.470 0.039 0.000 0.230 77 S C 1.651 176.307 174.600 0.093 0.000 1.035 77 S CA 1.626 59.886 58.200 0.100 0.000 1.014 77 S CB -0.705 62.536 63.200 0.069 0.000 0.836 77 S HN 0.652 nan 8.310 nan 0.000 0.466 78 A N 0.547 123.402 122.820 0.058 0.000 2.308 78 A HA 0.603 4.946 4.320 0.039 0.000 0.217 78 A C 0.991 178.608 177.584 0.055 0.000 1.216 78 A CA 0.413 52.480 52.037 0.050 0.000 0.864 78 A CB -0.319 18.699 19.000 0.029 0.000 0.902 78 A HN 0.918 nan 8.150 nan 0.000 0.499 79 G N -0.329 108.504 108.800 0.056 0.000 2.497 79 G HA2 0.100 4.083 3.960 0.039 0.000 0.686 79 G HA3 0.100 4.083 3.960 0.039 0.000 0.686 79 G C -0.217 174.690 174.900 0.011 0.000 1.288 79 G CA -0.523 44.605 45.100 0.047 0.000 0.899 79 G HN 1.229 nan 8.290 nan 0.000 0.608 80 I N -0.691 119.879 120.570 -0.001 0.000 2.588 80 I HA 0.426 4.619 4.170 0.039 0.000 0.283 80 I C -0.659 175.452 176.117 -0.010 0.000 1.119 80 I CA -1.630 59.655 61.300 -0.026 0.000 1.419 80 I CB 1.191 39.161 38.000 -0.051 0.000 1.394 80 I HN 0.354 nan 8.210 nan 0.000 0.562 81 P HA -0.246 nan 4.420 nan 0.000 0.215 81 P C 1.221 178.535 177.300 0.024 0.000 1.157 81 P CA 1.712 64.812 63.100 -0.001 0.000 0.874 81 P CB -0.158 31.534 31.700 -0.013 0.000 0.790 82 E N 0.327 120.533 120.200 0.010 0.000 2.085 82 E HA -0.166 4.207 4.350 0.039 0.000 0.194 82 E C 2.302 179.010 176.600 0.179 0.000 0.994 82 E CA 0.924 57.362 56.400 0.064 0.000 0.801 82 E CB -1.350 28.300 29.700 -0.084 0.000 0.743 82 E HN 0.261 nan 8.360 nan 0.000 0.453 83 L N -0.001 121.274 121.223 0.086 0.000 2.005 83 L HA -0.155 4.208 4.340 0.039 0.000 0.207 83 L C 2.592 179.514 176.870 0.087 0.000 1.072 83 L CA 0.822 55.713 54.840 0.084 0.000 0.744 83 L CB -0.268 41.803 42.059 0.020 0.000 0.895 83 L HN 0.143 nan 8.230 nan 0.000 0.433 84 L N 0.144 121.396 121.223 0.047 0.000 1.978 84 L HA -0.272 4.091 4.340 0.039 0.000 0.218 84 L C 2.998 179.884 176.870 0.026 0.000 1.075 84 L CA 2.429 57.281 54.840 0.020 0.000 0.767 84 L CB -1.417 40.651 42.059 0.015 0.000 0.890 84 L HN 0.420 nan 8.230 nan 0.000 0.434 85 S N -2.527 113.206 115.700 0.054 0.000 2.400 85 S HA -0.278 4.215 4.470 0.039 0.000 0.232 85 S C 1.848 176.480 174.600 0.052 0.000 1.025 85 S CA 1.218 59.445 58.200 0.045 0.000 0.993 85 S CB -1.190 62.046 63.200 0.060 0.000 0.808 85 S HN 0.580 nan 8.310 nan 0.000 0.478 86 W N 1.349 122.610 121.300 -0.066 0.000 2.409 86 W HA 0.146 4.830 4.660 0.039 0.000 0.299 86 W C 1.672 178.073 176.519 -0.197 0.000 1.203 86 W CA 0.364 57.617 57.345 -0.153 0.000 1.298 86 W CB -0.110 29.216 29.460 -0.225 0.000 1.127 86 W HN 0.168 nan 8.180 nan 0.000 0.528 87 L N 1.132 122.432 121.223 0.129 0.000 2.072 87 L HA -0.139 4.225 4.340 0.039 0.000 0.205 87 L C 2.247 179.013 176.870 -0.173 0.000 1.079 87 L CA 1.688 56.452 54.840 -0.128 0.000 0.752 87 L CB -1.643 40.130 42.059 -0.478 0.000 0.906 87 L HN -0.022 nan 8.230 nan 0.000 0.436 88 K N -0.747 119.584 120.400 -0.116 0.000 2.020 88 K HA -0.290 4.054 4.320 0.039 0.000 0.212 88 K C 2.123 178.640 176.600 -0.137 0.000 1.050 88 K CA 1.708 57.935 56.287 -0.100 0.000 0.929 88 K CB -0.234 32.225 32.500 -0.068 0.000 0.714 88 K HN 0.159 nan 8.250 nan 0.000 0.443 89 Q N 1.391 121.076 119.800 -0.191 0.000 2.077 89 Q HA -0.177 4.187 4.340 0.039 0.000 0.206 89 Q C 2.009 177.827 176.000 -0.303 0.000 0.989 89 Q CA 1.452 57.102 55.803 -0.256 0.000 0.853 89 Q CB -0.529 27.995 28.738 -0.356 0.000 0.907 89 Q HN 0.289 nan 8.270 nan 0.000 0.418 90 L N 0.245 121.223 121.223 -0.408 0.000 2.013 90 L HA -0.258 4.106 4.340 0.039 0.000 0.212 90 L C 2.115 178.910 176.870 -0.124 0.000 1.073 90 L CA 1.983 56.631 54.840 -0.321 0.000 0.753 90 L CB -0.567 41.287 42.059 -0.342 0.000 0.890 90 L HN 0.247 nan 8.230 nan 0.000 0.432 91 Q N -0.295 119.479 119.800 -0.043 0.000 2.084 91 Q HA -0.174 4.190 4.340 0.039 0.000 0.202 91 Q C 2.392 178.385 176.000 -0.012 0.000 0.978 91 Q CA 2.117 57.977 55.803 0.096 0.000 0.844 91 Q CB -0.442 28.376 28.738 0.133 0.000 0.898 91 Q HN 0.628 nan 8.270 nan 0.000 0.426 92 I N 0.980 121.506 120.570 -0.075 0.000 2.099 92 I HA -0.307 3.886 4.170 0.039 0.000 0.239 92 I C 2.234 178.285 176.117 -0.110 0.000 1.066 92 I CA 1.234 62.476 61.300 -0.096 0.000 1.324 92 I CB -0.265 37.669 38.000 -0.111 0.000 1.037 92 I HN 0.091 nan 8.210 nan 0.000 0.401 93 K N 0.616 120.935 120.400 -0.136 0.000 2.074 93 K HA -0.118 4.225 4.320 0.039 0.000 0.209 93 K C 1.974 178.484 176.600 -0.150 0.000 1.048 93 K CA 1.547 57.756 56.287 -0.129 0.000 0.926 93 K CB -0.539 31.880 32.500 -0.135 0.000 0.713 93 K HN 0.394 nan 8.250 nan 0.000 0.444 94 L N -0.468 120.602 121.223 -0.254 0.000 2.416 94 L HA -0.006 4.358 4.340 0.039 0.000 0.216 94 L C 1.486 178.025 176.870 -0.551 0.000 1.098 94 L CA 0.605 55.182 54.840 -0.439 0.000 0.840 94 L CB -0.084 41.590 42.059 -0.641 0.000 0.981 94 L HN 0.266 nan 8.230 nan 0.000 0.462 95 H N -1.611 117.417 119.070 -0.069 0.000 3.771 95 H HA 0.172 4.752 4.556 0.039 0.000 0.260 95 H C -0.008 175.261 175.328 -0.098 0.000 1.158 95 H CA -0.088 55.900 56.048 -0.100 0.000 1.170 95 H CB 0.459 30.134 29.762 -0.146 0.000 1.539 95 H HN 0.239 nan 8.280 nan 0.000 0.634 96 N N 1.119 119.811 118.700 -0.013 0.000 2.705 96 N HA -0.108 4.655 4.740 0.039 0.000 0.255 96 N C -2.650 172.819 175.510 -0.068 0.000 1.008 96 N CA 0.179 53.199 53.050 -0.049 0.000 0.742 96 N CB -1.651 36.810 38.487 -0.043 0.000 0.906 96 N HN 0.324 nan 8.380 nan 0.000 0.541 97 P HA 0.179 nan 4.420 nan 0.000 0.276 97 P C -1.634 175.545 177.300 -0.201 0.000 1.230 97 P CA -1.242 61.784 63.100 -0.124 0.000 0.776 97 P CB 0.337 31.962 31.700 -0.125 0.000 0.888 98 P HA -0.154 nan 4.420 nan 0.000 0.223 98 P C 1.062 177.985 177.300 -0.629 0.000 1.140 98 P CA 1.645 64.587 63.100 -0.264 0.000 0.783 98 P CB -0.026 31.584 31.700 -0.151 0.000 0.759 99 T N -2.006 112.136 114.554 -0.686 0.000 3.044 99 T HA 0.141 4.514 4.350 0.039 0.000 0.260 99 T C 1.340 175.683 174.700 -0.595 0.000 1.019 99 T CA -0.297 61.181 62.100 -1.037 0.000 0.921 99 T CB -0.497 68.086 68.868 -0.475 0.000 1.053 99 T HN 0.066 nan 8.240 nan 0.000 0.533 100 I N -1.407 118.885 120.570 -0.462 0.000 2.361 100 I HA -0.039 4.155 4.170 0.039 0.000 0.251 100 I C 1.462 177.325 176.117 -0.423 0.000 1.133 100 I CA 1.640 62.673 61.300 -0.446 0.000 1.413 100 I CB -0.441 37.208 38.000 -0.586 0.000 1.073 100 I HN 0.246 nan 8.210 nan 0.000 0.424 101 H N -1.381 117.658 119.070 -0.051 0.000 2.672 101 H HA 0.353 4.933 4.556 0.040 0.000 0.277 101 H C -0.209 175.222 175.328 0.171 0.000 1.074 101 H CA -0.517 55.559 56.048 0.046 0.000 1.173 101 H CB 0.059 29.846 29.762 0.041 0.000 1.558 101 H HN 0.260 nan 8.280 nan 0.000 0.539 102 Y N 1.715 122.064 120.300 0.082 0.000 2.511 102 Y HA 0.008 4.581 4.550 0.039 0.000 0.347 102 Y C -1.844 174.095 175.900 0.065 0.000 1.257 102 Y CA -2.341 55.800 58.100 0.068 0.000 1.469 102 Y CB 0.260 38.754 38.460 0.056 0.000 1.353 102 Y HN 0.035 nan 8.280 nan 0.000 0.617 103 P HA -0.011 nan 4.420 nan 0.000 0.269 103 P C -2.063 175.315 177.300 0.131 0.000 1.209 103 P CA -0.892 62.286 63.100 0.130 0.000 0.776 103 P CB 0.349 32.097 31.700 0.080 0.000 0.876 104 P HA -0.299 nan 4.420 nan 0.000 0.217 104 P C 1.594 178.944 177.300 0.084 0.000 1.158 104 P CA 2.238 65.380 63.100 0.070 0.000 0.887 104 P CB -0.360 31.369 31.700 0.048 0.000 0.792 105 S N -2.027 113.730 115.700 0.093 0.000 2.419 105 S HA -0.165 4.328 4.470 0.039 0.000 0.233 105 S C 1.396 176.115 174.600 0.198 0.000 1.016 105 S CA 0.757 59.029 58.200 0.120 0.000 0.974 105 S CB -0.870 62.385 63.200 0.091 0.000 0.786 105 S HN 0.186 nan 8.310 nan 0.000 0.492 106 Q N 0.399 120.307 119.800 0.180 0.000 2.860 106 Q HA 0.511 4.875 4.340 0.039 0.000 0.207 106 Q C 1.885 178.071 176.000 0.310 0.000 1.139 106 Q CA 0.297 56.254 55.803 0.257 0.000 0.661 106 Q CB -0.334 28.475 28.738 0.120 0.000 4.670 106 Q HN 0.440 nan 8.270 nan 0.000 0.380 107 G N -0.392 108.653 108.800 0.408 0.000 2.985 107 G HA2 -0.082 3.901 3.960 0.039 0.000 0.209 107 G HA3 -0.082 3.901 3.960 0.039 0.000 0.209 107 G C 0.087 175.083 174.900 0.160 0.000 1.165 107 G CA -0.208 45.123 45.100 0.385 0.000 0.776 107 G HN 0.318 nan 8.290 nan 0.000 0.541 108 Q N 1.137 121.030 119.800 0.155 0.000 2.362 108 Q HA -0.014 4.349 4.340 0.039 0.000 0.305 108 Q C 0.601 176.580 176.000 -0.035 0.000 1.120 108 Q CA -0.200 55.638 55.803 0.059 0.000 1.011 108 Q CB 0.056 28.841 28.738 0.077 0.000 1.048 108 Q HN 0.262 nan 8.270 nan 0.000 0.386 109 M N 3.536 123.077 119.600 -0.099 0.000 2.226 109 M HA -0.205 4.299 4.480 0.039 0.000 0.377 109 M C -0.292 175.962 176.300 -0.077 0.000 1.309 109 M CA 1.342 56.580 55.300 -0.104 0.000 0.874 109 M CB 0.140 32.657 32.600 -0.139 0.000 1.902 109 M HN 0.665 nan 8.290 nan 0.000 0.485 110 D N 3.696 124.055 120.400 -0.069 0.000 2.559 110 D HA 0.727 5.390 4.640 0.039 0.000 0.250 110 D C -1.878 174.400 176.300 -0.037 0.000 1.135 110 D CA -0.471 53.499 54.000 -0.050 0.000 0.955 110 D CB 1.726 42.497 40.800 -0.048 0.000 1.442 110 D HN 0.626 nan 8.370 nan 0.000 0.471 111 L N 0.912 122.124 121.223 -0.019 0.000 2.482 111 L HA 0.572 4.935 4.340 0.039 0.000 0.263 111 L C -1.740 175.142 176.870 0.021 0.000 0.957 111 L CA -0.560 54.284 54.840 0.007 0.000 0.836 111 L CB 1.748 43.810 42.059 0.006 0.000 1.324 111 L HN 0.594 nan 8.230 nan 0.000 0.406 112 C N 4.829 124.156 119.300 0.046 0.000 2.431 112 C HA 0.686 5.169 4.460 0.039 0.000 0.321 112 C C -0.311 174.737 174.990 0.097 0.000 1.202 112 C CA -0.504 58.544 59.018 0.051 0.000 1.398 112 C CB 1.135 28.891 27.740 0.027 0.000 2.047 112 C HN 0.598 nan 8.230 nan 0.000 0.465 113 V N 6.607 126.582 119.914 0.101 0.000 2.555 113 V HA 0.503 4.646 4.120 0.039 0.000 0.286 113 V C 0.974 177.134 176.094 0.110 0.000 1.044 113 V CA 0.571 62.956 62.300 0.140 0.000 1.026 113 V CB 1.274 33.171 31.823 0.124 0.000 0.981 113 V HN 1.046 nan 8.190 nan 0.000 0.480 114 T N 1.024 115.643 114.554 0.109 0.000 2.864 114 T HA 0.472 4.846 4.350 0.039 0.000 0.289 114 T C -0.270 174.473 174.700 0.073 0.000 1.082 114 T CA -0.762 61.375 62.100 0.063 0.000 1.009 114 T CB 1.864 70.741 68.868 0.016 0.000 1.234 114 T HN 0.362 nan 8.240 nan 0.000 0.526 115 S N 1.135 116.861 115.700 0.042 0.000 2.543 115 S HA 0.649 5.142 4.470 0.039 0.000 0.299 115 S C 0.640 175.261 174.600 0.035 0.000 1.125 115 S CA 0.224 58.452 58.200 0.046 0.000 1.098 115 S CB -0.485 62.728 63.200 0.021 0.000 1.063 115 S HN 1.502 nan 8.310 nan 0.000 0.493 116 G N 2.299 111.130 108.800 0.053 0.000 2.785 116 G HA2 -0.227 3.756 3.960 0.039 0.000 0.685 116 G HA3 -0.227 3.756 3.960 0.039 0.000 0.685 116 G C 0.751 175.645 174.900 -0.012 0.000 1.480 116 G CA -0.248 44.871 45.100 0.032 0.000 0.915 116 G HN 0.924 nan 8.290 nan 0.000 0.576 117 S N -0.615 115.050 115.700 -0.058 0.000 2.406 117 S HA -0.078 4.416 4.470 0.039 0.000 0.228 117 S C 1.974 176.520 174.600 -0.091 0.000 1.020 117 S CA 1.720 59.848 58.200 -0.119 0.000 0.965 117 S CB -0.152 62.926 63.200 -0.204 0.000 0.798 117 S HN 0.802 nan 8.310 nan 0.000 0.488 118 Q N 0.904 120.677 119.800 -0.045 0.000 2.234 118 Q HA -0.194 4.169 4.340 0.039 0.000 0.206 118 Q C 2.420 178.398 176.000 -0.037 0.000 0.980 118 Q CA 1.562 57.357 55.803 -0.013 0.000 0.869 118 Q CB -0.277 28.497 28.738 0.060 0.000 0.912 118 Q HN 0.807 nan 8.270 nan 0.000 0.436 119 Q N 0.005 119.782 119.800 -0.039 0.000 2.050 119 Q HA -0.160 4.203 4.340 0.039 0.000 0.202 119 Q C 1.989 177.930 176.000 -0.098 0.000 0.980 119 Q CA 1.640 57.408 55.803 -0.058 0.000 0.840 119 Q CB -0.274 28.437 28.738 -0.046 0.000 0.898 119 Q HN 0.422 nan 8.270 nan 0.000 0.424 120 G N 0.952 109.691 108.800 -0.102 0.000 2.422 120 G HA2 -0.222 3.761 3.960 0.039 0.000 0.218 120 G HA3 -0.222 3.761 3.960 0.039 0.000 0.218 120 G C 1.337 176.115 174.900 -0.203 0.000 1.140 120 G CA 0.642 45.666 45.100 -0.127 0.000 0.775 120 G HN 0.361 nan 8.290 nan 0.000 0.545 121 L N 0.184 121.260 121.223 -0.245 0.000 2.072 121 L HA 0.032 4.395 4.340 0.039 0.000 0.205 121 L C 2.834 179.374 176.870 -0.551 0.000 1.079 121 L CA 1.433 55.999 54.840 -0.456 0.000 0.752 121 L CB -0.550 41.285 42.059 -0.374 0.000 0.906 121 L HN 0.269 nan 8.230 nan 0.000 0.436 122 C N 0.139 119.300 119.300 -0.232 0.000 2.413 122 C HA -0.192 4.291 4.460 0.039 0.000 0.276 122 C C 2.732 177.703 174.990 -0.032 0.000 1.248 122 C CA 1.233 60.221 59.018 -0.050 0.000 1.742 122 C CB -0.874 26.871 27.740 0.008 0.000 2.017 122 C HN 0.499 nan 8.230 nan 0.000 0.481 123 K N -0.091 120.249 120.400 -0.099 0.000 2.365 123 K HA -0.034 4.310 4.320 0.039 0.000 0.199 123 K C 1.754 178.358 176.600 0.006 0.000 1.045 123 K CA 0.935 57.201 56.287 -0.035 0.000 0.962 123 K CB -0.059 32.372 32.500 -0.115 0.000 0.759 123 K HN 0.452 nan 8.250 nan 0.000 0.469 124 V N 0.651 120.492 119.914 -0.122 0.000 2.446 124 V HA -0.124 4.020 4.120 0.039 0.000 0.244 124 V C 1.847 177.964 176.094 0.039 0.000 1.039 124 V CA 1.277 63.511 62.300 -0.110 0.000 1.045 124 V CB -0.418 31.230 31.823 -0.292 0.000 0.681 124 V HN 0.221 nan 8.190 nan 0.000 0.459 125 F N 0.696 120.636 119.950 -0.017 0.000 2.069 125 F HA -0.238 4.311 4.527 0.038 0.000 0.298 125 F C 2.581 178.439 175.800 0.097 0.000 1.113 125 F CA 1.747 59.772 58.000 0.041 0.000 1.214 125 F CB -0.168 38.846 39.000 0.024 0.000 0.978 125 F HN 0.183 nan 8.300 nan 0.000 0.474 126 E N 0.115 120.485 120.200 0.284 0.000 2.110 126 E HA -0.266 4.108 4.350 0.039 0.000 0.193 126 E C 2.115 178.820 176.600 0.175 0.000 0.988 126 E CA 1.113 57.640 56.400 0.213 0.000 0.804 126 E CB -0.210 29.630 29.700 0.234 0.000 0.745 126 E HN 0.396 nan 8.360 nan 0.000 0.458 127 M N 0.383 120.088 119.600 0.176 0.000 2.106 127 M HA -0.235 4.269 4.480 0.039 0.000 0.259 127 M C 1.887 178.288 176.300 0.168 0.000 1.068 127 M CA 1.733 57.121 55.300 0.148 0.000 1.100 127 M CB 0.009 32.686 32.600 0.129 0.000 1.351 127 M HN 0.122 nan 8.290 nan 0.000 0.404 128 I N -0.764 119.941 120.570 0.225 0.000 2.731 128 I HA 0.000 4.194 4.170 0.039 0.000 0.260 128 I C 0.369 176.616 176.117 0.217 0.000 1.138 128 I CA 0.202 61.668 61.300 0.278 0.000 1.461 128 I CB 0.310 38.562 38.000 0.421 0.000 1.128 128 I HN 0.113 nan 8.210 nan 0.000 0.438 129 I N 2.304 122.991 120.570 0.195 0.000 2.291 129 I HA 0.123 4.317 4.170 0.039 0.000 0.290 129 I C -0.443 175.710 176.117 0.060 0.000 1.050 129 I CA -0.344 61.030 61.300 0.124 0.000 1.245 129 I CB 0.207 38.278 38.000 0.119 0.000 1.405 129 I HN 0.112 nan 8.210 nan 0.000 0.478 130 N N 8.079 126.798 118.700 0.031 0.000 2.529 130 N HA 0.292 5.056 4.740 0.039 0.000 0.278 130 N C -2.456 173.045 175.510 -0.015 0.000 1.146 130 N CA -1.549 51.503 53.050 0.003 0.000 0.980 130 N CB 0.689 39.173 38.487 -0.006 0.000 1.124 130 N HN 0.197 nan 8.380 nan 0.000 0.458 131 P HA 0.119 nan 4.420 nan 0.000 0.268 131 P C 0.802 178.084 177.300 -0.030 0.000 1.204 131 P CA 0.467 63.548 63.100 -0.031 0.000 0.768 131 P CB 0.500 32.181 31.700 -0.030 0.000 0.842 132 G N 1.829 110.607 108.800 -0.036 0.000 2.195 132 G HA2 -0.192 3.791 3.960 0.039 0.000 0.246 132 G HA3 -0.192 3.791 3.960 0.039 0.000 0.246 132 G C 0.037 174.915 174.900 -0.037 0.000 0.984 132 G CA -0.349 44.734 45.100 -0.028 0.000 0.633 132 G HN 0.485 nan 8.290 nan 0.000 0.525 133 D N 1.402 121.768 120.400 -0.057 0.000 2.449 133 D HA 0.258 4.922 4.640 0.039 0.000 0.236 133 D C 0.561 176.785 176.300 -0.126 0.000 1.149 133 D CA 0.233 54.178 54.000 -0.091 0.000 0.878 133 D CB 0.360 41.104 40.800 -0.093 0.000 1.198 133 D HN 0.294 nan 8.370 nan 0.000 0.446 134 N N 0.451 119.054 118.700 -0.162 0.000 2.456 134 N HA 0.384 5.147 4.740 0.039 0.000 0.288 134 N C -0.467 174.837 175.510 -0.342 0.000 1.059 134 N CA -0.473 52.472 53.050 -0.175 0.000 0.946 134 N CB 1.884 40.331 38.487 -0.067 0.000 1.150 134 N HN 0.185 nan 8.380 nan 0.000 0.479 135 V N -0.687 118.997 119.914 -0.384 0.000 2.841 135 V HA 0.626 4.769 4.120 0.039 0.000 0.310 135 V C -0.758 175.116 176.094 -0.368 0.000 1.090 135 V CA -1.039 60.879 62.300 -0.636 0.000 0.930 135 V CB 1.566 32.817 31.823 -0.954 0.000 1.014 135 V HN 0.390 nan 8.190 nan 0.000 0.425 136 L N 5.835 126.862 121.223 -0.327 0.000 2.307 136 L HA 0.824 5.188 4.340 0.039 0.000 0.284 136 L C -0.139 176.747 176.870 0.027 0.000 1.023 136 L CA -0.478 54.264 54.840 -0.163 0.000 0.810 136 L CB 1.498 43.398 42.059 -0.265 0.000 1.231 136 L HN 0.820 nan 8.230 nan 0.000 0.423 137 L N -0.134 121.126 121.223 0.060 0.000 2.502 137 L HA 0.701 5.065 4.340 0.039 0.000 0.253 137 L C -1.770 175.159 176.870 0.099 0.000 1.070 137 L CA -0.906 54.034 54.840 0.166 0.000 0.871 137 L CB 2.445 44.662 42.059 0.264 0.000 1.487 137 L HN 0.577 nan 8.230 nan 0.000 0.408 138 D N -0.194 120.275 120.400 0.115 0.000 2.349 138 D HA 0.326 4.989 4.640 0.039 0.000 0.232 138 D C -0.899 175.414 176.300 0.021 0.000 1.071 138 D CA -0.314 53.723 54.000 0.062 0.000 0.832 138 D CB 2.159 42.992 40.800 0.054 0.000 1.086 138 D HN 0.612 nan 8.370 nan 0.000 0.504 139 E N 2.612 122.812 120.200 -0.001 0.000 2.249 139 E HA 0.332 4.706 4.350 0.039 0.000 0.280 139 E C -2.269 174.245 176.600 -0.142 0.000 1.016 139 E CA -1.833 54.505 56.400 -0.103 0.000 0.830 139 E CB 1.190 30.881 29.700 -0.015 0.000 1.081 139 E HN 0.327 nan 8.360 nan 0.000 0.395 140 P HA 0.211 nan 4.420 nan 0.000 0.275 140 P C -1.424 175.662 177.300 -0.357 0.000 1.228 140 P CA -0.359 62.344 63.100 -0.661 0.000 0.786 140 P CB 1.029 32.181 31.700 -0.912 0.000 0.927 141 A N 2.278 124.973 122.820 -0.209 0.000 2.455 141 A HA 0.418 4.761 4.320 0.039 0.000 0.300 141 A C -1.229 176.469 177.584 0.191 0.000 1.040 141 A CA -0.747 51.298 52.037 0.013 0.000 0.697 141 A CB 0.551 19.583 19.000 0.053 0.000 1.265 141 A HN 0.466 nan 8.150 nan 0.000 0.407 142 Y N 2.763 123.142 120.300 0.132 0.000 2.981 142 Y HA -0.125 4.446 4.550 0.035 0.000 0.359 142 Y C 1.624 177.604 175.900 0.133 0.000 1.271 142 Y CA 0.807 59.037 58.100 0.217 0.000 1.617 142 Y CB 0.269 38.846 38.460 0.195 0.000 1.154 142 Y HN 0.833 nan 8.280 nan 0.000 0.570 143 S N 2.953 118.518 115.700 -0.226 0.000 2.423 143 S HA -0.102 4.392 4.470 0.039 0.000 0.231 143 S C 2.176 176.422 174.600 -0.589 0.000 1.014 143 S CA 0.620 58.550 58.200 -0.450 0.000 0.965 143 S CB -0.761 62.101 63.200 -0.563 0.000 0.785 143 S HN 0.881 nan 8.310 nan 0.000 0.495 144 G N 1.698 109.791 108.800 -1.180 0.000 2.440 144 G HA2 -0.237 3.746 3.960 0.039 0.000 0.218 144 G HA3 -0.237 3.746 3.960 0.039 0.000 0.218 144 G C 1.565 176.211 174.900 -0.424 0.000 1.154 144 G CA 1.560 46.146 45.100 -0.856 0.000 0.767 144 G HN 0.625 nan 8.290 nan 0.000 0.552 145 T N -0.122 114.216 114.554 -0.361 0.000 2.896 145 T HA 0.081 4.454 4.350 0.039 0.000 0.263 145 T C 2.497 177.074 174.700 -0.206 0.000 1.050 145 T CA 0.825 62.863 62.100 -0.104 0.000 1.140 145 T CB -0.229 68.627 68.868 -0.019 0.000 0.877 145 T HN 0.182 nan 8.240 nan 0.000 0.457 146 L N 0.642 121.740 121.223 -0.209 0.000 2.051 146 L HA -0.154 4.210 4.340 0.039 0.000 0.214 146 L C 3.173 179.965 176.870 -0.129 0.000 1.076 146 L CA 1.639 56.378 54.840 -0.169 0.000 0.758 146 L CB -0.567 41.398 42.059 -0.158 0.000 0.890 146 L HN 0.350 nan 8.230 nan 0.000 0.433 147 Q N -1.391 118.322 119.800 -0.144 0.000 2.269 147 Q HA -0.073 4.290 4.340 0.039 0.000 0.201 147 Q C 2.399 178.387 176.000 -0.020 0.000 0.946 147 Q CA 0.962 56.721 55.803 -0.073 0.000 0.877 147 Q CB 0.110 28.783 28.738 -0.108 0.000 0.963 147 Q HN 0.359 nan 8.270 nan 0.000 0.472 148 S N 0.561 116.234 115.700 -0.044 0.000 2.383 148 S HA 0.011 4.505 4.470 0.039 0.000 0.227 148 S C 1.922 176.484 174.600 -0.063 0.000 1.026 148 S CA 0.555 58.759 58.200 0.006 0.000 0.981 148 S CB 0.045 63.309 63.200 0.108 0.000 0.818 148 S HN 0.259 nan 8.310 nan 0.000 0.472 149 L N 0.627 121.748 121.223 -0.170 0.000 2.095 149 L HA -0.051 4.313 4.340 0.039 0.000 0.204 149 L C 2.588 179.394 176.870 -0.106 0.000 1.080 149 L CA 1.484 56.173 54.840 -0.252 0.000 0.759 149 L CB -0.850 41.004 42.059 -0.342 0.000 0.914 149 L HN 0.529 nan 8.230 nan 0.000 0.439 150 H N 1.594 120.585 119.070 -0.132 0.000 2.319 150 H HA -0.139 4.441 4.556 0.040 0.000 0.297 150 H C -0.642 174.648 175.328 -0.064 0.000 1.097 150 H CA 1.823 57.816 56.048 -0.092 0.000 1.285 150 H CB -0.950 28.763 29.762 -0.081 0.000 1.368 150 H HN 0.205 nan 8.280 nan 0.000 0.495 151 P HA -0.083 nan 4.420 nan 0.000 0.228 151 P C 1.530 178.718 177.300 -0.186 0.000 1.151 151 P CA 0.364 63.275 63.100 -0.315 0.000 0.770 151 P CB -0.077 31.544 31.700 -0.132 0.000 0.786 152 L N -0.761 120.382 121.223 -0.134 0.000 2.465 152 L HA 0.166 4.529 4.340 0.039 0.000 0.224 152 L C 1.737 178.555 176.870 -0.087 0.000 1.145 152 L CA 1.255 56.046 54.840 -0.082 0.000 0.834 152 L CB -1.971 40.060 42.059 -0.048 0.000 0.944 152 L HN 0.169 nan 8.230 nan 0.000 0.451 153 G N -0.183 108.544 108.800 -0.121 0.000 2.225 153 G HA2 -0.335 3.649 3.960 0.039 0.000 0.267 153 G HA3 -0.335 3.649 3.960 0.039 0.000 0.267 153 G C 0.654 175.510 174.900 -0.073 0.000 1.024 153 G CA 0.449 45.494 45.100 -0.092 0.000 0.784 153 G HN 0.520 nan 8.290 nan 0.000 0.507 154 C N -0.578 118.670 119.300 -0.087 0.000 2.604 154 C HA 0.657 5.140 4.460 0.039 0.000 0.396 154 C C 0.615 175.554 174.990 -0.084 0.000 1.282 154 C CA -1.781 57.177 59.018 -0.101 0.000 2.292 154 C CB 0.745 28.395 27.740 -0.151 0.000 2.633 154 C HN 0.487 nan 8.230 nan 0.000 0.620 155 N N 1.478 120.130 118.700 -0.079 0.000 2.419 155 N HA 0.355 5.119 4.740 0.039 0.000 0.264 155 N C -0.784 174.676 175.510 -0.083 0.000 1.031 155 N CA 0.014 53.032 53.050 -0.054 0.000 0.951 155 N CB 1.139 39.613 38.487 -0.022 0.000 1.101 155 N HN 0.659 nan 8.380 nan 0.000 0.488 156 I N 3.439 123.966 120.570 -0.070 0.000 2.312 156 I HA 0.227 4.421 4.170 0.039 0.000 0.291 156 I C 0.256 176.342 176.117 -0.052 0.000 1.031 156 I CA -0.404 60.846 61.300 -0.085 0.000 1.293 156 I CB 0.580 38.537 38.000 -0.071 0.000 1.403 156 I HN 0.270 nan 8.210 nan 0.000 0.484 157 I N 6.343 126.875 120.570 -0.063 0.000 2.307 157 I HA 0.168 4.361 4.170 0.039 0.000 0.289 157 I C 0.232 176.337 176.117 -0.021 0.000 1.021 157 I CA -0.547 60.733 61.300 -0.033 0.000 1.224 157 I CB 0.676 38.660 38.000 -0.027 0.000 1.376 157 I HN 0.502 nan 8.210 nan 0.000 0.470 158 N N 6.122 124.825 118.700 0.005 0.000 2.440 158 N HA 0.114 4.877 4.740 0.039 0.000 0.265 158 N C -0.774 174.750 175.510 0.024 0.000 1.239 158 N CA 0.064 53.130 53.050 0.026 0.000 0.909 158 N CB 0.707 39.227 38.487 0.055 0.000 1.066 158 N HN 0.298 nan 8.380 nan 0.000 0.474 159 V N 2.426 122.356 119.914 0.027 0.000 2.481 159 V HA 0.576 4.720 4.120 0.039 0.000 0.286 159 V C 0.719 176.842 176.094 0.049 0.000 1.042 159 V CA -1.302 61.016 62.300 0.030 0.000 0.928 159 V CB 0.993 32.831 31.823 0.025 0.000 0.986 159 V HN 0.820 nan 8.190 nan 0.000 0.462 160 A N 4.158 127.008 122.820 0.051 0.000 2.498 160 A HA 0.562 4.905 4.320 0.039 0.000 0.239 160 A C 0.600 178.221 177.584 0.062 0.000 1.068 160 A CA 0.234 52.309 52.037 0.063 0.000 0.766 160 A CB -0.010 19.026 19.000 0.061 0.000 1.003 160 A HN 1.186 nan 8.150 nan 0.000 0.497 161 S N 0.988 116.727 115.700 0.066 0.000 2.667 161 S HA 0.856 5.350 4.470 0.039 0.000 0.292 161 S C -0.891 173.746 174.600 0.060 0.000 1.126 161 S CA -0.196 58.036 58.200 0.053 0.000 0.881 161 S CB 2.019 65.240 63.200 0.035 0.000 1.132 161 S HN 0.956 nan 8.310 nan 0.000 0.492 162 D N -0.651 119.770 120.400 0.036 0.000 3.057 162 D HA 0.285 4.949 4.640 0.039 0.000 0.328 162 D C 0.263 176.526 176.300 -0.061 0.000 1.317 162 D CA -0.699 53.313 54.000 0.019 0.000 0.973 162 D CB -0.473 40.337 40.800 0.017 0.000 1.424 162 D HN 0.378 nan 8.370 nan 0.000 0.569 163 E N -0.411 119.659 120.200 -0.217 0.000 2.284 163 E HA -0.088 4.285 4.350 0.039 0.000 0.200 163 E C 0.769 177.290 176.600 -0.131 0.000 1.008 163 E CA 1.841 58.028 56.400 -0.354 0.000 0.829 163 E CB -0.355 29.028 29.700 -0.528 0.000 0.744 163 E HN 0.338 nan 8.360 nan 0.000 0.491 164 S N -0.375 115.282 115.700 -0.071 0.000 2.601 164 S HA 0.519 5.013 4.470 0.039 0.000 0.244 164 S C 0.590 175.188 174.600 -0.004 0.000 1.001 164 S CA -0.185 57.998 58.200 -0.028 0.000 0.984 164 S CB 0.687 63.878 63.200 -0.016 0.000 0.842 164 S HN 0.520 nan 8.310 nan 0.000 0.474 165 G N 2.504 111.304 108.800 -0.001 0.000 2.500 165 G HA2 -0.157 3.826 3.960 0.039 0.000 0.209 165 G HA3 -0.157 3.826 3.960 0.039 0.000 0.209 165 G C -0.326 174.598 174.900 0.040 0.000 1.283 165 G CA -0.616 44.495 45.100 0.019 0.000 0.960 165 G HN 0.859 nan 8.290 nan 0.000 0.528 166 I N -0.807 119.803 120.570 0.066 0.000 2.826 166 I HA 0.438 4.631 4.170 0.039 0.000 0.295 166 I C 0.668 176.830 176.117 0.076 0.000 1.213 166 I CA -0.357 60.990 61.300 0.077 0.000 1.436 166 I CB 0.651 38.712 38.000 0.102 0.000 1.348 166 I HN 0.602 nan 8.210 nan 0.000 0.570 167 V N 8.940 128.894 119.914 0.066 0.000 2.372 167 V HA 0.166 4.310 4.120 0.039 0.000 0.261 167 V C -1.204 174.934 176.094 0.073 0.000 1.055 167 V CA -0.890 61.448 62.300 0.064 0.000 0.930 167 V CB 0.445 32.301 31.823 0.055 0.000 1.031 167 V HN 0.798 nan 8.190 nan 0.000 0.479 168 P HA -0.123 nan 4.420 nan 0.000 0.216 168 P C 0.980 178.330 177.300 0.084 0.000 1.150 168 P CA 1.106 64.265 63.100 0.098 0.000 0.837 168 P CB 0.282 32.046 31.700 0.106 0.000 0.786 169 D N -1.239 119.203 120.400 0.070 0.000 2.144 169 D HA -0.120 4.544 4.640 0.039 0.000 0.200 169 D C 2.089 178.419 176.300 0.050 0.000 0.978 169 D CA 1.243 55.280 54.000 0.061 0.000 0.833 169 D CB -0.946 39.886 40.800 0.052 0.000 0.961 169 D HN 0.108 nan 8.370 nan 0.000 0.470 170 S N 0.033 115.762 115.700 0.048 0.000 2.383 170 S HA -0.149 4.345 4.470 0.039 0.000 0.229 170 S C 1.833 176.450 174.600 0.028 0.000 1.030 170 S CA 0.599 58.821 58.200 0.037 0.000 1.002 170 S CB -0.223 63.001 63.200 0.041 0.000 0.829 170 S HN 0.155 nan 8.310 nan 0.000 0.467 171 L N 1.925 123.173 121.223 0.042 0.000 2.027 171 L HA 0.110 4.474 4.340 0.039 0.000 0.206 171 L C 2.516 179.400 176.870 0.024 0.000 1.074 171 L CA 1.746 56.608 54.840 0.037 0.000 0.745 171 L CB -0.938 41.172 42.059 0.086 0.000 0.898 171 L HN 0.231 nan 8.230 nan 0.000 0.433 172 R N -0.342 120.191 120.500 0.055 0.000 2.083 172 R HA -0.184 4.179 4.340 0.039 0.000 0.237 172 R C 1.905 178.218 176.300 0.021 0.000 1.137 172 R CA 1.940 58.077 56.100 0.061 0.000 0.951 172 R CB -0.462 29.893 30.300 0.092 0.000 0.851 172 R HN 0.473 nan 8.270 nan 0.000 0.434 173 D N 0.399 120.809 120.400 0.017 0.000 2.097 173 D HA -0.154 4.509 4.640 0.039 0.000 0.195 173 D C 1.833 178.111 176.300 -0.036 0.000 0.989 173 D CA 1.336 55.337 54.000 0.001 0.000 0.827 173 D CB -0.345 40.459 40.800 0.008 0.000 0.966 173 D HN 0.345 nan 8.370 nan 0.000 0.456 174 I N -1.139 119.405 120.570 -0.043 0.000 2.264 174 I HA -0.186 4.008 4.170 0.039 0.000 0.248 174 I C 2.052 178.112 176.117 -0.095 0.000 1.111 174 I CA 1.373 62.633 61.300 -0.067 0.000 1.382 174 I CB -0.768 37.206 38.000 -0.042 0.000 1.060 174 I HN -0.088 nan 8.210 nan 0.000 0.418 175 L N 1.295 122.441 121.223 -0.128 0.000 2.291 175 L HA -0.082 4.282 4.340 0.039 0.000 0.214 175 L C 2.557 179.332 176.870 -0.158 0.000 1.120 175 L CA 1.207 55.906 54.840 -0.234 0.000 0.799 175 L CB -0.603 40.955 42.059 -0.835 0.000 0.925 175 L HN 0.549 nan 8.230 nan 0.000 0.446 176 S N -0.477 115.174 115.700 -0.082 0.000 2.584 176 S HA -0.133 4.361 4.470 0.039 0.000 0.240 176 S C 1.794 176.341 174.600 -0.089 0.000 0.975 176 S CA 0.393 58.610 58.200 0.028 0.000 0.949 176 S CB -0.395 62.827 63.200 0.036 0.000 0.761 176 S HN 0.431 nan 8.310 nan 0.000 0.536 177 R N -0.368 119.930 120.500 -0.336 0.000 2.189 177 R HA 0.132 4.495 4.340 0.039 0.000 0.218 177 R C -0.205 175.718 176.300 -0.629 0.000 1.074 177 R CA 0.730 56.452 56.100 -0.629 0.000 0.991 177 R CB -0.002 29.708 30.300 -0.983 0.000 0.883 177 R HN 0.581 nan 8.270 nan 0.000 0.457 178 W N 0.029 121.373 121.300 0.074 0.000 2.850 178 W HA 0.517 5.201 4.660 0.039 0.000 0.349 178 W C -0.233 176.442 176.519 0.261 0.000 1.133 178 W CA -1.168 56.265 57.345 0.147 0.000 1.117 178 W CB 0.661 30.225 29.460 0.173 0.000 1.442 178 W HN -0.382 nan 8.180 nan 0.000 0.575 179 K N 0.636 121.298 120.400 0.437 0.000 2.221 179 K HA 0.412 4.756 4.320 0.039 0.000 0.243 179 K C -1.797 174.914 176.600 0.184 0.000 0.968 179 K CA -1.748 54.706 56.287 0.277 0.000 0.846 179 K CB 1.800 34.380 32.500 0.132 0.000 1.141 179 K HN -0.064 nan 8.250 nan 0.000 0.434 180 P HA -0.201 nan 4.420 nan 0.000 0.216 180 P C -0.073 177.205 177.300 -0.037 0.000 1.154 180 P CA 1.504 64.476 63.100 -0.214 0.000 0.865 180 P CB 0.257 31.763 31.700 -0.323 0.000 0.789 181 E N -1.086 119.103 120.200 -0.018 0.000 2.274 181 E HA -0.138 4.235 4.350 0.039 0.000 0.194 181 E C 1.596 178.206 176.600 0.017 0.000 0.996 181 E CA 0.769 57.163 56.400 -0.010 0.000 0.840 181 E CB -0.974 28.722 29.700 -0.008 0.000 0.772 181 E HN 0.330 nan 8.360 nan 0.000 0.491 182 D N 0.124 120.560 120.400 0.060 0.000 2.311 182 D HA -0.142 4.521 4.640 0.039 0.000 0.212 182 D C 1.676 177.985 176.300 0.014 0.000 0.972 182 D CA 1.030 55.071 54.000 0.069 0.000 0.887 182 D CB -0.016 40.882 40.800 0.163 0.000 0.915 182 D HN 0.250 nan 8.370 nan 0.000 0.497 183 A N 0.061 122.884 122.820 0.005 0.000 2.084 183 A HA -0.211 4.132 4.320 0.039 0.000 0.221 183 A C 1.929 179.480 177.584 -0.056 0.000 1.161 183 A CA 1.341 53.359 52.037 -0.033 0.000 0.653 183 A CB -0.248 18.748 19.000 -0.007 0.000 0.802 183 A HN 0.132 nan 8.150 nan 0.000 0.457 184 K N -0.498 119.879 120.400 -0.039 0.000 2.426 184 K HA 0.089 4.433 4.320 0.039 0.000 0.193 184 K C -0.242 176.330 176.600 -0.047 0.000 1.028 184 K CA 0.427 56.686 56.287 -0.046 0.000 1.047 184 K CB 0.078 32.558 32.500 -0.033 0.000 0.821 184 K HN 0.557 nan 8.250 nan 0.000 0.513 185 N N 0.461 119.137 118.700 -0.040 0.000 2.746 185 N HA 0.135 4.899 4.740 0.039 0.000 0.250 185 N C -2.375 173.113 175.510 -0.036 0.000 1.146 185 N CA -1.532 51.503 53.050 -0.025 0.000 0.828 185 N CB 1.601 40.090 38.487 0.004 0.000 1.158 185 N HN -0.176 nan 8.380 nan 0.000 0.519 186 P HA -0.225 nan 4.420 nan 0.000 0.214 186 P C -0.057 177.214 177.300 -0.048 0.000 1.163 186 P CA 1.407 64.465 63.100 -0.071 0.000 0.889 186 P CB 0.270 31.927 31.700 -0.072 0.000 0.790 187 Q N -0.648 119.140 119.800 -0.021 0.000 2.492 187 Q HA 0.046 4.410 4.340 0.039 0.000 0.238 187 Q C 0.595 176.615 176.000 0.034 0.000 1.045 187 Q CA 0.098 55.904 55.803 0.005 0.000 0.934 187 Q CB 0.174 28.918 28.738 0.011 0.000 1.276 187 Q HN -0.114 nan 8.270 nan 0.000 0.521 188 K N -0.161 120.286 120.400 0.079 0.000 3.575 188 K HA -0.266 4.077 4.320 0.039 0.000 0.272 188 K C -0.625 176.086 176.600 0.185 0.000 1.019 188 K CA 1.383 57.770 56.287 0.166 0.000 1.123 188 K CB -1.336 31.256 32.500 0.152 0.000 1.364 188 K HN 0.947 nan 8.250 nan 0.000 0.482 189 N N 0.891 119.582 118.700 -0.015 0.000 2.708 189 N HA -0.182 4.581 4.740 0.039 0.000 0.255 189 N C -0.768 174.319 175.510 -0.705 0.000 1.046 189 N CA 0.852 53.799 53.050 -0.171 0.000 0.715 189 N CB -0.868 37.633 38.487 0.024 0.000 0.895 189 N HN 0.620 nan 8.380 nan 0.000 0.545 190 T N -1.684 112.391 114.554 -0.799 0.000 2.898 190 T HA 0.339 4.712 4.350 0.039 0.000 0.301 190 T C -2.305 171.918 174.700 -0.796 0.000 1.049 190 T CA -1.263 60.043 62.100 -1.323 0.000 1.095 190 T CB 1.260 69.719 68.868 -0.681 0.000 0.976 190 T HN -0.088 nan 8.240 nan 0.000 0.539 191 P HA 0.108 nan 4.420 nan 0.000 0.264 191 P C 0.238 177.398 177.300 -0.233 0.000 1.179 191 P CA -0.126 62.696 63.100 -0.464 0.000 0.763 191 P CB 0.403 31.760 31.700 -0.571 0.000 0.806 192 K N 2.321 122.610 120.400 -0.185 0.000 2.284 192 K HA 0.226 4.569 4.320 0.039 0.000 0.198 192 K C 0.349 177.161 176.600 0.353 0.000 1.048 192 K CA 0.705 57.071 56.287 0.132 0.000 0.987 192 K CB -0.061 32.515 32.500 0.127 0.000 0.800 192 K HN 0.596 nan 8.250 nan 0.000 0.486 193 F N -2.105 117.911 119.950 0.111 0.000 2.654 193 F HA 0.517 5.067 4.527 0.039 0.000 0.308 193 F C -1.534 174.239 175.800 -0.045 0.000 1.108 193 F CA -1.881 56.201 58.000 0.136 0.000 0.957 193 F CB 0.888 39.992 39.000 0.175 0.000 1.309 193 F HN -0.287 nan 8.300 nan 0.000 0.446 194 L N 3.784 125.247 121.223 0.400 0.000 2.296 194 L HA 0.540 4.903 4.340 0.039 0.000 0.286 194 L C -1.563 175.569 176.870 0.437 0.000 1.023 194 L CA -0.715 54.281 54.840 0.260 0.000 0.812 194 L CB 1.284 43.420 42.059 0.129 0.000 1.223 194 L HN 0.762 nan 8.230 nan 0.000 0.421 195 Y N 4.335 124.844 120.300 0.347 0.000 2.360 195 Y HA 0.704 5.276 4.550 0.038 0.000 0.337 195 Y C -0.430 175.565 175.900 0.159 0.000 1.039 195 Y CA -0.119 58.124 58.100 0.239 0.000 1.109 195 Y CB 1.640 40.312 38.460 0.353 0.000 1.201 195 Y HN 0.761 nan 8.280 nan 0.000 0.458 196 T N 4.347 118.600 114.554 -0.503 0.000 2.821 196 T HA 0.433 4.806 4.350 0.039 0.000 0.306 196 T C -1.982 172.400 174.700 -0.530 0.000 1.313 196 T CA -0.628 61.265 62.100 -0.345 0.000 1.012 196 T CB 1.117 69.985 68.868 0.001 0.000 1.298 196 T HN 0.439 nan 8.240 nan 0.000 0.502 197 V N 5.215 124.975 119.914 -0.256 0.000 2.304 197 V HA 0.319 4.462 4.120 0.039 0.000 0.269 197 V C -1.669 174.407 176.094 -0.029 0.000 1.036 197 V CA -1.338 60.887 62.300 -0.125 0.000 0.840 197 V CB 1.063 32.882 31.823 -0.007 0.000 1.036 197 V HN 0.727 nan 8.190 nan 0.000 0.466 198 P HA 0.059 nan 4.420 nan 0.000 0.235 198 P C 0.137 177.426 177.300 -0.018 0.000 1.177 198 P CA 0.572 63.674 63.100 0.003 0.000 0.785 198 P CB 0.333 32.019 31.700 -0.024 0.000 0.885 199 N N 0.350 119.049 118.700 -0.001 0.000 2.417 199 N HA 0.352 5.116 4.740 0.039 0.000 0.274 199 N C 0.426 175.931 175.510 -0.007 0.000 0.987 199 N CA -0.207 52.834 53.050 -0.015 0.000 0.912 199 N CB 1.279 39.754 38.487 -0.020 0.000 1.177 199 N HN -0.019 nan 8.380 nan 0.000 0.490 200 G N 1.993 110.747 108.800 -0.076 0.000 2.359 200 G HA2 -0.306 3.678 3.960 0.039 0.000 0.298 200 G HA3 -0.306 3.678 3.960 0.039 0.000 0.298 200 G C 0.194 175.002 174.900 -0.153 0.000 1.030 200 G CA -0.104 44.896 45.100 -0.167 0.000 1.149 200 G HN 0.818 nan 8.290 nan 0.000 0.512 201 N N 0.001 118.655 118.700 -0.075 0.000 2.292 201 N HA -0.076 4.688 4.740 0.039 0.000 0.258 201 N C 0.220 175.652 175.510 -0.130 0.000 1.261 201 N CA -0.023 52.984 53.050 -0.070 0.000 0.845 201 N CB 0.167 38.585 38.487 -0.115 0.000 1.064 201 N HN 0.287 nan 8.380 nan 0.000 0.471 202 N N 4.901 123.572 118.700 -0.049 0.000 2.605 202 N HA 0.139 4.903 4.740 0.039 0.000 0.258 202 N C -1.947 173.320 175.510 -0.405 0.000 1.156 202 N CA -1.855 51.079 53.050 -0.194 0.000 1.008 202 N CB 0.619 39.097 38.487 -0.016 0.000 1.354 202 N HN 0.536 nan 8.380 nan 0.000 0.509 203 P HA 0.086 nan 4.420 nan 0.000 0.276 203 P C 1.012 177.869 177.300 -0.738 0.000 1.123 203 P CA 0.340 62.772 63.100 -1.114 0.000 1.015 203 P CB 0.262 30.760 31.700 -2.004 0.000 1.240 204 T N -3.189 110.887 114.554 -0.797 0.000 2.904 204 T HA 0.173 4.547 4.350 0.039 0.000 0.267 204 T C 1.699 176.382 174.700 -0.029 0.000 1.059 204 T CA 1.752 63.482 62.100 -0.616 0.000 1.137 204 T CB -1.296 67.233 68.868 -0.566 0.000 0.879 204 T HN 0.201 nan 8.240 nan 0.000 0.467 205 G N 1.296 110.066 108.800 -0.051 0.000 2.157 205 G HA2 -0.230 3.753 3.960 0.039 0.000 0.239 205 G HA3 -0.230 3.753 3.960 0.039 0.000 0.239 205 G C -0.135 174.802 174.900 0.063 0.000 0.982 205 G CA -0.018 45.118 45.100 0.060 0.000 0.650 205 G HN 0.755 nan 8.290 nan 0.000 0.527 206 N N -0.007 118.708 118.700 0.024 0.000 2.445 206 N HA 0.625 5.389 4.740 0.039 0.000 0.264 206 N C -0.296 175.207 175.510 -0.013 0.000 1.227 206 N CA 0.206 53.267 53.050 0.018 0.000 0.963 206 N CB 1.013 39.499 38.487 -0.001 0.000 1.188 206 N HN 0.118 nan 8.380 nan 0.000 0.491 207 S N 0.516 116.210 115.700 -0.010 0.000 2.619 207 S HA 0.293 4.786 4.470 0.039 0.000 0.280 207 S C -0.473 174.115 174.600 -0.020 0.000 1.150 207 S CA -0.697 57.490 58.200 -0.021 0.000 0.978 207 S CB 0.816 63.998 63.200 -0.030 0.000 1.041 207 S HN 0.307 nan 8.310 nan 0.000 0.485 208 L N 3.219 124.429 121.223 -0.022 0.000 2.506 208 L HA 0.143 4.507 4.340 0.039 0.000 0.281 208 L C 1.181 178.027 176.870 -0.040 0.000 1.228 208 L CA 0.209 55.038 54.840 -0.019 0.000 0.850 208 L CB 0.565 42.612 42.059 -0.019 0.000 1.110 208 L HN 0.758 nan 8.230 nan 0.000 0.496 209 T N -1.195 113.345 114.554 -0.024 0.000 2.902 209 T HA 0.091 4.465 4.350 0.039 0.000 0.280 209 T C 1.013 175.686 174.700 -0.044 0.000 0.992 209 T CA -0.316 61.769 62.100 -0.025 0.000 1.015 209 T CB 1.674 70.538 68.868 -0.006 0.000 1.044 209 T HN 0.582 nan 8.240 nan 0.000 0.520 210 S N 0.016 115.692 115.700 -0.041 0.000 2.382 210 S HA -0.128 4.366 4.470 0.039 0.000 0.228 210 S C 1.736 176.321 174.600 -0.025 0.000 1.027 210 S CA 1.585 59.754 58.200 -0.053 0.000 0.991 210 S CB -0.598 62.585 63.200 -0.029 0.000 0.823 210 S HN 0.803 nan 8.310 nan 0.000 0.469 211 E N 0.474 120.675 120.200 0.001 0.000 2.122 211 E HA 0.076 4.450 4.350 0.039 0.000 0.190 211 E C 2.347 178.975 176.600 0.046 0.000 0.977 211 E CA 0.638 57.052 56.400 0.023 0.000 0.820 211 E CB -0.044 29.670 29.700 0.023 0.000 0.770 211 E HN 0.449 nan 8.360 nan 0.000 0.462 212 R N 0.766 121.292 120.500 0.044 0.000 2.120 212 R HA -0.073 4.291 4.340 0.039 0.000 0.234 212 R C 2.072 178.448 176.300 0.126 0.000 1.123 212 R CA 1.197 57.346 56.100 0.082 0.000 0.975 212 R CB -0.154 30.193 30.300 0.078 0.000 0.866 212 R HN 0.015 nan 8.270 nan 0.000 0.446 213 K N 0.832 121.264 120.400 0.053 0.000 2.057 213 K HA -0.149 4.195 4.320 0.039 0.000 0.207 213 K C 1.972 178.716 176.600 0.241 0.000 1.049 213 K CA 1.480 57.806 56.287 0.066 0.000 0.931 213 K CB 0.011 32.306 32.500 -0.342 0.000 0.714 213 K HN 0.065 nan 8.250 nan 0.000 0.440 214 K N 0.926 121.402 120.400 0.128 0.000 2.026 214 K HA -0.169 4.175 4.320 0.039 0.000 0.208 214 K C 1.923 178.643 176.600 0.200 0.000 1.048 214 K CA 1.741 58.116 56.287 0.146 0.000 0.929 214 K CB 0.024 32.569 32.500 0.075 0.000 0.713 214 K HN 0.198 nan 8.250 nan 0.000 0.439 215 E N 0.358 120.659 120.200 0.167 0.000 2.204 215 E HA -0.150 4.224 4.350 0.039 0.000 0.194 215 E C 1.867 178.584 176.600 0.195 0.000 0.989 215 E CA 0.872 57.369 56.400 0.161 0.000 0.824 215 E CB -0.056 29.721 29.700 0.128 0.000 0.756 215 E HN 0.284 nan 8.360 nan 0.000 0.477 216 I N -0.015 120.706 120.570 0.253 0.000 2.439 216 I HA -0.225 3.969 4.170 0.039 0.000 0.251 216 I C 2.114 178.359 176.117 0.212 0.000 1.139 216 I CA 0.784 62.241 61.300 0.261 0.000 1.438 216 I CB -0.050 38.159 38.000 0.348 0.000 1.085 216 I HN 0.094 nan 8.210 nan 0.000 0.427 217 Y N 1.898 122.293 120.300 0.158 0.000 2.293 217 Y HA -0.247 4.326 4.550 0.039 0.000 0.291 217 Y C 2.594 178.492 175.900 -0.003 0.000 1.137 217 Y CA 1.780 59.919 58.100 0.065 0.000 1.202 217 Y CB -0.033 38.508 38.460 0.136 0.000 0.990 217 Y HN 0.295 nan 8.280 nan 0.000 0.537 218 E N -0.733 119.547 120.200 0.134 0.000 2.112 218 E HA -0.159 4.215 4.350 0.039 0.000 0.190 218 E C 1.883 178.481 176.600 -0.004 0.000 0.979 218 E CA 0.921 57.354 56.400 0.056 0.000 0.814 218 E CB -0.551 29.216 29.700 0.113 0.000 0.762 218 E HN 0.325 nan 8.360 nan 0.000 0.460 219 L N 1.651 122.913 121.223 0.065 0.000 2.081 219 L HA -0.169 4.195 4.340 0.039 0.000 0.212 219 L C 2.686 179.505 176.870 -0.084 0.000 1.080 219 L CA 2.060 56.992 54.840 0.153 0.000 0.754 219 L CB -1.596 40.617 42.059 0.256 0.000 0.893 219 L HN 0.310 nan 8.230 nan 0.000 0.433 220 A N -0.940 121.574 122.820 -0.510 0.000 1.930 220 A HA -0.205 4.138 4.320 0.039 0.000 0.217 220 A C 2.546 179.619 177.584 -0.850 0.000 1.175 220 A CA 1.446 52.671 52.037 -1.353 0.000 0.627 220 A CB -0.435 17.883 19.000 -1.136 0.000 0.815 220 A HN 0.361 nan 8.150 nan 0.000 0.443 221 R N -0.071 120.098 120.500 -0.553 0.000 2.061 221 R HA -0.158 4.206 4.340 0.039 0.000 0.230 221 R C 2.307 178.475 176.300 -0.219 0.000 1.140 221 R CA 1.921 57.810 56.100 -0.351 0.000 0.940 221 R CB -0.354 29.799 30.300 -0.246 0.000 0.839 221 R HN 0.497 nan 8.270 nan 0.000 0.429 222 K N -0.459 119.851 120.400 -0.150 0.000 2.034 222 K HA -0.225 4.119 4.320 0.039 0.000 0.214 222 K C 1.290 177.733 176.600 -0.261 0.000 1.051 222 K CA 2.153 58.331 56.287 -0.182 0.000 0.931 222 K CB -0.204 32.219 32.500 -0.128 0.000 0.715 222 K HN 0.327 nan 8.250 nan 0.000 0.446 223 Y N 0.150 120.420 120.300 -0.049 0.000 2.468 223 Y HA 0.114 4.688 4.550 0.040 0.000 0.268 223 Y C -0.166 175.731 175.900 -0.005 0.000 1.177 223 Y CA 0.062 58.190 58.100 0.047 0.000 1.265 223 Y CB 0.175 38.776 38.460 0.235 0.000 1.103 223 Y HN 0.272 nan 8.280 nan 0.000 0.522 224 D N 1.053 121.410 120.400 -0.072 0.000 2.704 224 D HA -0.238 4.425 4.640 0.039 0.000 0.232 224 D C -0.623 175.720 176.300 0.072 0.000 1.183 224 D CA 0.431 54.373 54.000 -0.095 0.000 0.647 224 D CB -1.146 39.638 40.800 -0.027 0.000 1.013 224 D HN 0.363 nan 8.370 nan 0.000 0.415 225 F N -1.360 118.623 119.950 0.055 0.000 2.450 225 F HA 0.662 5.213 4.527 0.039 0.000 0.328 225 F C 0.094 175.871 175.800 -0.038 0.000 1.068 225 F CA -1.728 56.327 58.000 0.091 0.000 1.007 225 F CB 0.420 39.453 39.000 0.055 0.000 1.251 225 F HN -0.213 nan 8.300 nan 0.000 0.492 226 L N 2.102 123.412 121.223 0.143 0.000 2.452 226 L HA 0.273 4.636 4.340 0.039 0.000 0.267 226 L C -0.040 176.922 176.870 0.154 0.000 1.188 226 L CA -0.489 54.339 54.840 -0.021 0.000 0.821 226 L CB 0.353 42.360 42.059 -0.087 0.000 1.102 226 L HN 0.598 nan 8.230 nan 0.000 0.470 227 I N 3.964 124.520 120.570 -0.023 0.000 2.339 227 I HA 0.310 4.504 4.170 0.039 0.000 0.290 227 I C 0.111 176.174 176.117 -0.090 0.000 0.994 227 I CA -0.380 60.882 61.300 -0.063 0.000 1.191 227 I CB 1.394 39.172 38.000 -0.370 0.000 1.343 227 I HN 0.449 nan 8.210 nan 0.000 0.458 228 I N 6.265 126.809 120.570 -0.043 0.000 2.291 228 I HA 0.246 4.440 4.170 0.039 0.000 0.292 228 I C 0.098 176.115 176.117 -0.166 0.000 1.064 228 I CA -0.043 61.188 61.300 -0.115 0.000 1.269 228 I CB 0.503 38.394 38.000 -0.182 0.000 1.418 228 I HN 0.641 nan 8.210 nan 0.000 0.485 229 E N 6.020 126.138 120.200 -0.138 0.000 1.936 229 E HA 0.086 4.459 4.350 0.039 0.000 0.267 229 E C -0.870 175.625 176.600 -0.175 0.000 1.076 229 E CA -0.613 55.731 56.400 -0.092 0.000 0.870 229 E CB 0.391 30.128 29.700 0.062 0.000 1.093 229 E HN 0.643 nan 8.360 nan 0.000 0.411 230 D N 3.558 123.799 120.400 -0.265 0.000 2.374 230 D HA 0.046 4.709 4.640 0.039 0.000 0.240 230 D C -0.804 175.389 176.300 -0.179 0.000 1.229 230 D CA -0.029 53.838 54.000 -0.221 0.000 0.895 230 D CB 0.706 41.380 40.800 -0.209 0.000 1.046 230 D HN 0.251 nan 8.370 nan 0.000 0.498 231 D N 4.156 124.441 120.400 -0.192 0.000 2.957 231 D HA 0.164 4.828 4.640 0.039 0.000 0.352 231 D C -1.838 174.361 176.300 -0.169 0.000 1.352 231 D CA -1.338 52.570 54.000 -0.154 0.000 0.831 231 D CB 0.997 41.692 40.800 -0.176 0.000 1.147 231 D HN 0.294 nan 8.370 nan 0.000 0.467 232 P HA -0.067 nan 4.420 nan 0.000 0.233 232 P C 0.410 177.451 177.300 -0.432 0.000 1.167 232 P CA 0.517 63.383 63.100 -0.389 0.000 0.770 232 P CB 0.081 31.441 31.700 -0.566 0.000 0.837 233 Y N -2.674 117.585 120.300 -0.067 0.000 2.636 233 Y HA 0.172 4.744 4.550 0.036 0.000 0.260 233 Y C 2.034 177.872 175.900 -0.103 0.000 1.177 233 Y CA -0.936 57.102 58.100 -0.105 0.000 1.209 233 Y CB -0.931 37.434 38.460 -0.158 0.000 1.166 233 Y HN -0.138 nan 8.280 nan 0.000 0.531 234 Y N -0.364 119.861 120.300 -0.124 0.000 2.207 234 Y HA -0.245 4.328 4.550 0.039 0.000 0.287 234 Y C 1.134 176.893 175.900 -0.235 0.000 1.156 234 Y CA 1.618 59.568 58.100 -0.251 0.000 1.182 234 Y CB -0.519 37.670 38.460 -0.453 0.000 0.979 234 Y HN 0.175 nan 8.280 nan 0.000 0.521 235 F N -1.049 118.881 119.950 -0.033 0.000 2.797 235 F HA 0.118 4.667 4.527 0.037 0.000 0.302 235 F C 0.620 176.322 175.800 -0.163 0.000 1.130 235 F CA -0.111 57.821 58.000 -0.113 0.000 1.387 235 F CB 0.307 39.362 39.000 0.092 0.000 1.107 235 F HN -0.020 nan 8.300 nan 0.000 0.577 236 L N 0.556 121.753 121.223 -0.043 0.000 3.154 236 L HA 0.234 4.597 4.340 0.039 0.000 0.266 236 L C -0.014 176.614 176.870 -0.402 0.000 1.300 236 L CA 0.170 54.915 54.840 -0.158 0.000 1.028 236 L CB -0.100 41.861 42.059 -0.163 0.000 1.412 236 L HN -0.044 nan 8.230 nan 0.000 0.564 237 Q N -0.889 118.706 119.800 -0.341 0.000 2.304 237 Q HA 0.173 4.537 4.340 0.039 0.000 0.260 237 Q C 0.527 176.355 176.000 -0.287 0.000 0.965 237 Q CA 0.107 55.682 55.803 -0.381 0.000 0.898 237 Q CB 0.817 29.392 28.738 -0.271 0.000 1.196 237 Q HN 0.348 nan 8.270 nan 0.000 0.402 238 F N -0.068 119.884 119.950 0.005 0.000 2.456 238 F HA -0.046 4.503 4.527 0.036 0.000 0.298 238 F C 1.268 177.077 175.800 0.014 0.000 1.104 238 F CA -0.142 57.868 58.000 0.016 0.000 1.435 238 F CB 0.263 39.277 39.000 0.023 0.000 1.078 238 F HN 0.497 nan 8.300 nan 0.000 0.546 239 N N 1.827 120.609 118.700 0.136 0.000 2.405 239 N HA -0.007 4.757 4.740 0.039 0.000 0.260 239 N C 0.743 176.301 175.510 0.080 0.000 1.152 239 N CA 0.206 53.319 53.050 0.106 0.000 0.948 239 N CB 0.702 39.236 38.487 0.078 0.000 1.111 239 N HN 0.164 nan 8.380 nan 0.000 0.485 240 K N 2.482 122.953 120.400 0.118 0.000 2.366 240 K HA 0.002 4.345 4.320 0.039 0.000 0.198 240 K C -0.088 176.520 176.600 0.013 0.000 1.044 240 K CA 0.459 56.784 56.287 0.062 0.000 0.973 240 K CB 0.143 32.686 32.500 0.071 0.000 0.767 240 K HN 0.389 nan 8.250 nan 0.000 0.475 241 F N 2.226 122.162 119.950 -0.023 0.000 2.434 241 F HA 0.136 4.686 4.527 0.039 0.000 0.358 241 F C 0.723 176.496 175.800 -0.046 0.000 1.136 241 F CA -0.260 57.724 58.000 -0.027 0.000 1.157 241 F CB 0.391 39.381 39.000 -0.016 0.000 1.167 241 F HN -0.303 nan 8.300 nan 0.000 0.539 242 R N 2.414 122.899 120.500 -0.024 0.000 2.298 242 R HA 0.263 4.627 4.340 0.039 0.000 0.310 242 R C -0.451 175.849 176.300 0.001 0.000 1.068 242 R CA -0.657 55.397 56.100 -0.076 0.000 0.957 242 R CB 1.382 31.568 30.300 -0.191 0.000 1.003 242 R HN 0.457 nan 8.270 nan 0.000 0.454 243 V N 6.704 126.613 119.914 -0.009 0.000 2.540 243 V HA 0.061 4.204 4.120 0.039 0.000 0.297 243 V C -1.806 174.307 176.094 0.032 0.000 1.024 243 V CA -1.483 60.818 62.300 0.001 0.000 1.105 243 V CB 0.509 32.312 31.823 -0.035 0.000 0.938 243 V HN 0.676 nan 8.190 nan 0.000 0.482 244 P HA 0.014 nan 4.420 nan 0.000 0.264 244 P C -0.186 177.070 177.300 -0.072 0.000 1.173 244 P CA 0.435 63.535 63.100 0.001 0.000 0.761 244 P CB -0.026 31.650 31.700 -0.040 0.000 0.794 245 T N -0.725 113.790 114.554 -0.065 0.000 2.918 245 T HA 0.312 4.686 4.350 0.039 0.000 0.283 245 T C 1.171 175.723 174.700 -0.245 0.000 1.001 245 T CA -0.519 61.461 62.100 -0.201 0.000 1.041 245 T CB 0.313 69.011 68.868 -0.284 0.000 1.028 245 T HN 0.154 nan 8.240 nan 0.000 0.511 246 F N 0.161 120.047 119.950 -0.106 0.000 2.115 246 F HA -0.097 4.453 4.527 0.038 0.000 0.300 246 F C 2.326 178.035 175.800 -0.151 0.000 1.092 246 F CA 0.997 58.944 58.000 -0.087 0.000 1.245 246 F CB -0.534 38.462 39.000 -0.006 0.000 0.995 246 F HN 0.448 nan 8.300 nan 0.000 0.481 247 L N 0.500 121.708 121.223 -0.025 0.000 2.081 247 L HA -0.271 4.092 4.340 0.039 0.000 0.212 247 L C 2.631 179.428 176.870 -0.122 0.000 1.080 247 L CA 2.144 56.910 54.840 -0.122 0.000 0.754 247 L CB -0.776 41.102 42.059 -0.302 0.000 0.893 247 L HN 0.229 nan 8.230 nan 0.000 0.433 248 S N -0.656 114.974 115.700 -0.116 0.000 2.453 248 S HA -0.173 4.320 4.470 0.039 0.000 0.231 248 S C 1.660 176.184 174.600 -0.126 0.000 1.005 248 S CA 0.984 59.139 58.200 -0.074 0.000 0.949 248 S CB -0.597 62.591 63.200 -0.020 0.000 0.774 248 S HN 0.648 nan 8.310 nan 0.000 0.510 249 M N -0.105 119.373 119.600 -0.205 0.000 2.419 249 M HA 0.414 4.917 4.480 0.039 0.000 0.252 249 M C -0.164 175.780 176.300 -0.594 0.000 1.143 249 M CA -0.075 55.011 55.300 -0.356 0.000 0.985 249 M CB -0.343 32.018 32.600 -0.399 0.000 1.489 249 M HN -0.078 nan 8.290 nan 0.000 0.484 250 D N 2.025 122.228 120.400 -0.328 0.000 2.671 250 D HA 0.146 4.810 4.640 0.039 0.000 0.228 250 D C 1.076 177.394 176.300 0.030 0.000 1.102 250 D CA -0.030 53.898 54.000 -0.121 0.000 1.044 250 D CB 0.332 41.153 40.800 0.034 0.000 1.113 250 D HN 0.071 nan 8.370 nan 0.000 0.480 251 V N 1.443 121.390 119.914 0.055 0.000 2.594 251 V HA -0.175 3.968 4.120 0.039 0.000 0.253 251 V C 1.376 177.682 176.094 0.354 0.000 1.069 251 V CA 1.507 63.928 62.300 0.202 0.000 1.082 251 V CB -0.090 31.822 31.823 0.148 0.000 0.680 251 V HN 0.391 nan 8.190 nan 0.000 0.469 252 D N -0.165 120.450 120.400 0.358 0.000 2.348 252 D HA 0.146 4.809 4.640 0.039 0.000 0.211 252 D C 1.698 178.154 176.300 0.259 0.000 0.998 252 D CA 0.997 55.150 54.000 0.255 0.000 0.873 252 D CB 0.121 41.005 40.800 0.140 0.000 0.925 252 D HN 0.467 nan 8.370 nan 0.000 0.524 253 G N 2.208 111.193 108.800 0.309 0.000 2.246 253 G HA2 -0.351 3.633 3.960 0.039 0.000 0.273 253 G HA3 -0.351 3.633 3.960 0.039 0.000 0.273 253 G C 0.838 175.879 174.900 0.236 0.000 1.055 253 G CA 0.561 45.832 45.100 0.285 0.000 0.851 253 G HN 0.509 nan 8.290 nan 0.000 0.500 254 R N -1.452 119.132 120.500 0.140 0.000 2.397 254 R HA 0.487 4.850 4.340 0.039 0.000 0.241 254 R C 0.172 176.456 176.300 -0.026 0.000 0.914 254 R CA -0.147 55.953 56.100 -0.001 0.000 1.071 254 R CB 0.611 30.814 30.300 -0.162 0.000 1.116 254 R HN 0.291 nan 8.270 nan 0.000 0.524 255 V N 2.356 122.293 119.914 0.038 0.000 2.472 255 V HA 0.393 4.536 4.120 0.039 0.000 0.290 255 V C -0.118 175.944 176.094 -0.054 0.000 1.037 255 V CA -0.694 61.607 62.300 0.001 0.000 0.908 255 V CB 1.897 33.764 31.823 0.075 0.000 0.985 255 V HN 0.187 nan 8.190 nan 0.000 0.454 256 I N 5.305 125.818 120.570 -0.094 0.000 2.389 256 I HA 0.517 4.710 4.170 0.039 0.000 0.288 256 I C 0.049 176.082 176.117 -0.140 0.000 0.999 256 I CA -0.490 60.736 61.300 -0.122 0.000 1.129 256 I CB 1.499 39.410 38.000 -0.147 0.000 1.288 256 I HN 0.522 nan 8.210 nan 0.000 0.444 257 R N 5.650 126.059 120.500 -0.152 0.000 2.265 257 R HA 0.735 5.098 4.340 0.039 0.000 0.328 257 R C -0.895 175.273 176.300 -0.221 0.000 0.969 257 R CA -0.393 55.591 56.100 -0.193 0.000 0.832 257 R CB 1.377 31.532 30.300 -0.242 0.000 1.139 257 R HN 0.742 nan 8.270 nan 0.000 0.457 258 A N 4.313 126.986 122.820 -0.245 0.000 2.292 258 A HA 0.368 4.712 4.320 0.039 0.000 0.319 258 A C -0.946 176.402 177.584 -0.394 0.000 1.206 258 A CA -0.686 51.174 52.037 -0.294 0.000 0.835 258 A CB 0.909 19.764 19.000 -0.242 0.000 1.164 258 A HN 0.776 nan 8.150 nan 0.000 0.505 259 D N 0.936 120.960 120.400 -0.626 0.000 2.248 259 D HA 0.512 5.175 4.640 0.039 0.000 0.246 259 D C -0.818 174.990 176.300 -0.819 0.000 1.027 259 D CA 0.148 53.645 54.000 -0.838 0.000 0.853 259 D CB 2.082 41.921 40.800 -1.601 0.000 1.243 259 D HN 0.428 nan 8.370 nan 0.000 0.462 260 S N 1.334 116.746 115.700 -0.480 0.000 2.521 260 S HA 0.339 4.832 4.470 0.039 0.000 0.295 260 S C -0.147 174.405 174.600 -0.080 0.000 1.098 260 S CA -0.601 57.420 58.200 -0.299 0.000 0.999 260 S CB 0.472 63.542 63.200 -0.216 0.000 1.034 260 S HN 0.236 nan 8.310 nan 0.000 0.483 261 F N 2.483 122.503 119.950 0.116 0.000 2.731 261 F HA 0.324 4.873 4.527 0.037 0.000 0.304 261 F C 1.564 177.437 175.800 0.123 0.000 1.133 261 F CA -0.193 57.924 58.000 0.195 0.000 1.380 261 F CB -0.486 38.642 39.000 0.214 0.000 1.079 261 F HN 0.372 nan 8.300 nan 0.000 0.550 265 I N 0.532 121.276 120.570 0.289 0.000 3.570 265 I HA 0.328 4.522 4.170 0.039 0.000 0.270 265 I C 0.592 176.756 176.117 0.080 0.000 1.162 265 I CA 0.439 61.814 61.300 0.124 0.000 1.413 265 I CB 1.254 39.201 38.000 -0.088 0.000 1.437 265 I HN 0.249 nan 8.210 nan 0.000 0.457 266 S N -0.753 115.022 115.700 0.126 0.000 2.596 266 S HA 0.146 4.640 4.470 0.039 0.000 0.305 266 S C 0.463 175.133 174.600 0.118 0.000 1.086 266 S CA -0.078 58.180 58.200 0.097 0.000 0.909 266 S CB 0.911 64.137 63.200 0.043 0.000 1.106 266 S HN 0.271 nan 8.310 nan 0.000 0.450 267 S N 3.551 119.310 115.700 0.098 0.000 2.362 267 S HA 0.116 4.610 4.470 0.039 0.000 0.221 267 S C 2.086 176.727 174.600 0.069 0.000 1.032 267 S CA 1.051 59.303 58.200 0.087 0.000 0.973 267 S CB -1.102 62.148 63.200 0.083 0.000 0.849 267 S HN 1.137 nan 8.310 nan 0.000 0.465 268 G N 1.709 110.542 108.800 0.055 0.000 2.470 268 G HA2 0.013 3.997 3.960 0.039 0.000 0.220 268 G HA3 0.013 3.997 3.960 0.039 0.000 0.220 268 G C 1.357 176.276 174.900 0.033 0.000 1.121 268 G CA 0.587 45.710 45.100 0.037 0.000 0.766 268 G HN 0.489 nan 8.290 nan 0.000 0.553 269 L N -0.755 120.496 121.223 0.047 0.000 2.291 269 L HA 0.071 4.434 4.340 0.039 0.000 0.214 269 L C 0.837 177.748 176.870 0.069 0.000 1.120 269 L CA -0.001 54.871 54.840 0.053 0.000 0.799 269 L CB -0.124 41.968 42.059 0.056 0.000 0.925 269 L HN 0.133 nan 8.230 nan 0.000 0.446 270 R N 0.716 121.263 120.500 0.077 0.000 3.201 270 R HA -0.134 4.230 4.340 0.039 0.000 0.254 270 R C -0.953 175.412 176.300 0.108 0.000 0.978 270 R CA 0.602 56.748 56.100 0.077 0.000 0.661 270 R CB -2.684 27.645 30.300 0.049 0.000 1.170 270 R HN 0.229 nan 8.270 nan 0.000 0.430 271 I N -0.846 119.822 120.570 0.164 0.000 2.548 271 I HA 0.672 4.865 4.170 0.039 0.000 0.287 271 I C 0.885 177.205 176.117 0.338 0.000 1.103 271 I CA -0.314 61.131 61.300 0.242 0.000 1.049 271 I CB 2.180 40.339 38.000 0.265 0.000 1.232 271 I HN 0.330 nan 8.210 nan 0.000 0.429 272 G N 5.380 114.325 108.800 0.242 0.000 2.687 272 G HA2 0.844 4.827 3.960 0.039 0.000 0.291 272 G HA3 0.844 4.827 3.960 0.039 0.000 0.291 272 G C -1.839 173.160 174.900 0.165 0.000 1.420 272 G CA -0.541 44.591 45.100 0.054 0.000 0.796 272 G HN 0.465 nan 8.290 nan 0.000 0.485 273 F N -1.811 118.064 119.950 -0.124 0.000 2.631 273 F HA 0.844 5.395 4.527 0.040 0.000 0.308 273 F C -1.583 174.154 175.800 -0.105 0.000 1.097 273 F CA -1.593 56.351 58.000 -0.095 0.000 0.952 273 F CB 2.082 41.033 39.000 -0.083 0.000 1.307 273 F HN 0.538 nan 8.300 nan 0.000 0.450 274 L N 1.998 123.282 121.223 0.102 0.000 2.406 274 L HA 0.783 5.146 4.340 0.039 0.000 0.272 274 L C -1.099 175.779 176.870 0.014 0.000 0.980 274 L CA 0.096 54.922 54.840 -0.023 0.000 0.831 274 L CB 2.085 44.109 42.059 -0.058 0.000 1.253 274 L HN 0.858 nan 8.230 nan 0.000 0.406 275 T N 3.516 118.055 114.554 -0.026 0.000 2.823 275 T HA 0.959 5.332 4.350 0.039 0.000 0.279 275 T C -0.048 174.604 174.700 -0.080 0.000 0.998 275 T CA -0.159 61.923 62.100 -0.030 0.000 0.994 275 T CB 1.608 70.465 68.868 -0.019 0.000 0.960 275 T HN 1.013 nan 8.240 nan 0.000 0.448 276 G N 2.579 111.330 108.800 -0.082 0.000 2.317 276 G HA2 0.458 4.441 3.960 0.039 0.000 0.293 276 G HA3 0.458 4.441 3.960 0.039 0.000 0.293 276 G C -3.461 171.369 174.900 -0.116 0.000 1.287 276 G CA -0.992 44.049 45.100 -0.100 0.000 0.850 276 G HN 0.466 nan 8.290 nan 0.000 0.515 277 P HA 0.222 nan 4.420 nan 0.000 0.267 277 P C 0.645 177.789 177.300 -0.261 0.000 1.209 277 P CA -0.093 62.869 63.100 -0.229 0.000 0.763 277 P CB 1.387 32.839 31.700 -0.415 0.000 0.816 278 K N 6.829 127.128 120.400 -0.169 0.000 2.144 278 K HA -0.191 4.152 4.320 0.039 0.000 0.209 278 K C -1.024 175.491 176.600 -0.140 0.000 1.047 278 K CA 2.367 58.583 56.287 -0.120 0.000 0.927 278 K CB -1.638 30.826 32.500 -0.060 0.000 0.716 278 K HN 0.346 nan 8.250 nan 0.000 0.454 279 P HA -0.090 nan 4.420 nan 0.000 0.221 279 P C 0.902 178.111 177.300 -0.152 0.000 1.150 279 P CA 0.754 63.757 63.100 -0.161 0.000 0.800 279 P CB 0.153 31.750 31.700 -0.171 0.000 0.787 280 L N -1.212 119.860 121.223 -0.251 0.000 2.168 280 L HA 0.010 4.374 4.340 0.039 0.000 0.203 280 L C 2.099 178.915 176.870 -0.090 0.000 1.078 280 L CA 1.264 56.013 54.840 -0.151 0.000 0.780 280 L CB -1.200 40.725 42.059 -0.223 0.000 0.939 280 L HN -0.119 nan 8.230 nan 0.000 0.451 281 I N -0.078 120.428 120.570 -0.107 0.000 2.264 281 I HA -0.308 3.886 4.170 0.039 0.000 0.248 281 I C 2.439 178.536 176.117 -0.034 0.000 1.111 281 I CA 1.211 62.472 61.300 -0.064 0.000 1.382 281 I CB -1.073 36.889 38.000 -0.062 0.000 1.060 281 I HN 0.495 nan 8.210 nan 0.000 0.418 282 E N 0.883 121.060 120.200 -0.038 0.000 2.147 282 E HA -0.270 4.104 4.350 0.039 0.000 0.199 282 E C 2.157 178.763 176.600 0.010 0.000 1.005 282 E CA 1.408 57.801 56.400 -0.012 0.000 0.810 282 E CB 0.155 29.846 29.700 -0.015 0.000 0.736 282 E HN 0.309 nan 8.360 nan 0.000 0.460 283 R N 0.068 120.576 120.500 0.012 0.000 2.119 283 R HA -0.042 4.321 4.340 0.039 0.000 0.222 283 R C 2.500 178.841 176.300 0.069 0.000 1.088 283 R CA 1.072 57.197 56.100 0.040 0.000 0.984 283 R CB -1.328 29.002 30.300 0.049 0.000 0.884 283 R HN 0.326 nan 8.270 nan 0.000 0.447 284 V N 0.000 119.943 119.914 0.048 0.000 2.453 284 V HA -0.082 4.061 4.120 0.039 0.000 0.247 284 V C 2.004 178.128 176.094 0.050 0.000 1.048 284 V CA 1.242 63.573 62.300 0.052 0.000 1.049 284 V CB -0.315 31.506 31.823 -0.002 0.000 0.672 284 V HN 0.138 nan 8.190 nan 0.000 0.457 285 I N 0.010 120.602 120.570 0.036 0.000 2.208 285 I HA -0.237 3.956 4.170 0.039 0.000 0.245 285 I C 2.542 178.694 176.117 0.059 0.000 1.097 285 I CA 2.079 63.403 61.300 0.040 0.000 1.363 285 I CB -0.239 37.777 38.000 0.027 0.000 1.051 285 I HN 0.318 nan 8.210 nan 0.000 0.413 286 L N -0.630 120.633 121.223 0.065 0.000 2.141 286 L HA -0.248 4.115 4.340 0.039 0.000 0.209 286 L C 2.534 179.472 176.870 0.115 0.000 1.094 286 L CA 1.394 56.276 54.840 0.069 0.000 0.763 286 L CB -0.759 41.328 42.059 0.047 0.000 0.908 286 L HN 0.411 nan 8.230 nan 0.000 0.437 287 H N 0.343 119.421 119.070 0.014 0.000 2.384 287 H HA -0.122 4.458 4.556 0.040 0.000 0.300 287 H C 2.420 177.757 175.328 0.016 0.000 1.057 287 H CA 1.149 57.206 56.048 0.015 0.000 1.370 287 H CB 0.314 30.085 29.762 0.016 0.000 1.417 287 H HN 0.347 nan 8.280 nan 0.000 0.527 288 I N 0.215 120.838 120.570 0.089 0.000 2.335 288 I HA -0.261 3.933 4.170 0.039 0.000 0.251 288 I C 1.685 177.840 176.117 0.063 0.000 1.129 288 I CA 1.535 62.852 61.300 0.027 0.000 1.402 288 I CB -0.241 37.761 38.000 0.004 0.000 1.069 288 I HN 0.317 nan 8.210 nan 0.000 0.424 289 Q N 0.524 120.370 119.800 0.076 0.000 2.500 289 Q HA -0.056 4.308 4.340 0.039 0.000 0.213 289 Q C 1.757 177.789 176.000 0.053 0.000 0.974 289 Q CA 1.478 57.316 55.803 0.058 0.000 0.918 289 Q CB 0.077 28.841 28.738 0.044 0.000 0.980 289 Q HN 0.796 nan 8.270 nan 0.000 0.505 290 V N -5.621 114.340 119.914 0.078 0.000 3.477 290 V HA 0.293 4.436 4.120 0.039 0.000 0.297 290 V C 0.885 177.027 176.094 0.080 0.000 1.433 290 V CA -0.148 62.194 62.300 0.070 0.000 1.052 290 V CB 0.990 32.853 31.823 0.067 0.000 0.895 290 V HN -0.029 nan 8.190 nan 0.000 0.438 291 S N 1.953 117.699 115.700 0.077 0.000 4.089 291 S HA 0.169 4.662 4.470 0.039 0.000 0.191 291 S C 1.804 176.414 174.600 0.017 0.000 0.964 291 S CA 0.785 59.015 58.200 0.049 0.000 1.612 291 S CB 0.499 63.705 63.200 0.009 0.000 0.736 291 S HN 0.704 nan 8.310 nan 0.000 0.773 292 T N 0.896 115.444 114.554 -0.010 0.000 2.915 292 T HA 0.073 4.446 4.350 0.039 0.000 0.269 292 T C 1.275 175.942 174.700 -0.054 0.000 1.071 292 T CA 1.445 63.524 62.100 -0.035 0.000 1.132 292 T CB -0.641 68.202 68.868 -0.042 0.000 0.878 292 T HN 0.500 nan 8.240 nan 0.000 0.479 293 L N -0.431 120.791 121.223 -0.002 0.000 3.015 293 L HA -0.242 4.122 4.340 0.039 0.000 0.389 293 L C 0.664 177.613 176.870 0.132 0.000 0.737 293 L CA 1.958 56.830 54.840 0.053 0.000 3.213 293 L CB -2.185 39.920 42.059 0.076 0.000 0.600 293 L HN 0.889 nan 8.230 nan 0.000 0.774 294 H N -2.312 116.805 119.070 0.078 0.000 2.987 294 H HA 0.531 5.111 4.556 0.039 0.000 0.316 294 H C -3.225 172.146 175.328 0.072 0.000 1.380 294 H CA -1.598 54.494 56.048 0.073 0.000 1.160 294 H CB 1.557 31.372 29.762 0.089 0.000 1.865 294 H HN -0.173 nan 8.280 nan 0.000 0.521 295 P HA 0.048 nan 4.420 nan 0.000 0.279 295 P C 0.016 177.461 177.300 0.241 0.000 1.239 295 P CA -0.243 62.946 63.100 0.147 0.000 0.789 295 P CB 0.843 32.630 31.700 0.146 0.000 0.933 296 S N 1.956 117.736 115.700 0.133 0.000 3.298 296 S HA -0.132 4.361 4.470 0.039 0.000 0.389 296 S C 1.748 176.485 174.600 0.228 0.000 1.186 296 S CA 0.835 59.131 58.200 0.161 0.000 1.034 296 S CB -0.512 62.753 63.200 0.108 0.000 0.735 296 S HN 0.708 nan 8.310 nan 0.000 0.510 297 T N 4.974 119.685 114.554 0.262 0.000 2.759 297 T HA -0.188 4.185 4.350 0.039 0.000 0.269 297 T C 1.373 176.138 174.700 0.108 0.000 1.042 297 T CA 1.846 64.029 62.100 0.138 0.000 1.140 297 T CB -0.549 68.350 68.868 0.052 0.000 0.864 297 T HN 0.717 nan 8.240 nan 0.000 0.455 298 F N 2.411 122.389 119.950 0.047 0.000 2.046 298 F HA -0.029 4.521 4.527 0.039 0.000 0.297 298 F C 2.177 178.051 175.800 0.122 0.000 1.123 298 F CA 2.139 60.203 58.000 0.107 0.000 1.199 298 F CB -0.756 38.291 39.000 0.078 0.000 0.972 298 F HN 0.318 nan 8.300 nan 0.000 0.474 299 N N -0.467 118.464 118.700 0.385 0.000 2.120 299 N HA -0.213 4.551 4.740 0.039 0.000 0.188 299 N C 1.793 177.355 175.510 0.087 0.000 1.024 299 N CA 1.179 54.370 53.050 0.236 0.000 0.852 299 N CB -0.294 38.297 38.487 0.173 0.000 1.003 299 N HN 0.486 nan 8.380 nan 0.000 0.424 300 Q N 0.427 120.271 119.800 0.073 0.000 2.112 300 Q HA -0.170 4.194 4.340 0.039 0.000 0.206 300 Q C 1.901 177.861 176.000 -0.066 0.000 0.987 300 Q CA 1.064 56.875 55.803 0.015 0.000 0.858 300 Q CB -0.085 28.672 28.738 0.031 0.000 0.905 300 Q HN 0.297 nan 8.270 nan 0.000 0.420 301 L N 0.038 121.202 121.223 -0.098 0.000 2.046 301 L HA -0.147 4.217 4.340 0.039 0.000 0.208 301 L C 2.209 179.016 176.870 -0.105 0.000 1.077 301 L CA 1.670 56.387 54.840 -0.205 0.000 0.747 301 L CB -0.835 40.943 42.059 -0.469 0.000 0.896 301 L HN 0.333 nan 8.230 nan 0.000 0.432 302 M N -1.495 118.113 119.600 0.014 0.000 2.132 302 M HA -0.211 4.292 4.480 0.039 0.000 0.263 302 M C 2.217 178.409 176.300 -0.180 0.000 1.065 302 M CA 1.717 57.004 55.300 -0.022 0.000 1.122 302 M CB -0.249 32.315 32.600 -0.059 0.000 1.365 302 M HN 0.133 nan 8.290 nan 0.000 0.411 303 I N -1.217 119.226 120.570 -0.212 0.000 2.286 303 I HA -0.223 3.971 4.170 0.039 0.000 0.245 303 I C 2.684 178.552 176.117 -0.416 0.000 1.104 303 I CA 0.981 62.062 61.300 -0.364 0.000 1.397 303 I CB -0.424 37.349 38.000 -0.378 0.000 1.072 303 I HN 0.275 nan 8.210 nan 0.000 0.417 304 S N 0.363 115.886 115.700 -0.295 0.000 2.368 304 S HA -0.202 4.292 4.470 0.039 0.000 0.225 304 S C 2.022 176.495 174.600 -0.212 0.000 1.030 304 S CA 1.350 59.397 58.200 -0.255 0.000 0.999 304 S CB -0.124 62.988 63.200 -0.146 0.000 0.844 304 S HN 0.401 nan 8.310 nan 0.000 0.459 305 Q N 0.340 120.009 119.800 -0.219 0.000 2.030 305 Q HA -0.151 4.212 4.340 0.039 0.000 0.204 305 Q C 2.309 178.159 176.000 -0.249 0.000 0.986 305 Q CA 1.578 57.266 55.803 -0.192 0.000 0.843 305 Q CB -0.638 28.022 28.738 -0.131 0.000 0.904 305 Q HN 0.538 nan 8.270 nan 0.000 0.420 306 L N 0.839 121.833 121.223 -0.381 0.000 1.997 306 L HA -0.248 4.116 4.340 0.039 0.000 0.216 306 L C 2.162 178.630 176.870 -0.670 0.000 1.074 306 L CA 1.623 56.087 54.840 -0.627 0.000 0.763 306 L CB -0.594 40.992 42.059 -0.789 0.000 0.890 306 L HN 0.156 nan 8.230 nan 0.000 0.434 307 L N -0.846 120.004 121.223 -0.622 0.000 2.141 307 L HA -0.200 4.163 4.340 0.039 0.000 0.209 307 L C 2.588 179.183 176.870 -0.458 0.000 1.094 307 L CA 1.701 56.110 54.840 -0.719 0.000 0.763 307 L CB -1.160 40.042 42.059 -1.428 0.000 0.908 307 L HN 0.454 nan 8.230 nan 0.000 0.437 308 H N -1.713 117.142 119.070 -0.358 0.000 2.436 308 H HA -0.060 4.520 4.556 0.039 0.000 0.294 308 H C 1.789 177.139 175.328 0.036 0.000 1.048 308 H CA 1.128 57.140 56.048 -0.061 0.000 1.353 308 H CB 0.539 30.248 29.762 -0.089 0.000 1.414 308 H HN 0.312 nan 8.280 nan 0.000 0.536 309 E N -0.022 120.215 120.200 0.062 0.000 2.216 309 E HA -0.104 4.269 4.350 0.039 0.000 0.192 309 E C 1.711 178.446 176.600 0.226 0.000 0.988 309 E CA 0.383 56.832 56.400 0.083 0.000 0.834 309 E CB 0.002 29.690 29.700 -0.020 0.000 0.772 309 E HN 0.304 nan 8.360 nan 0.000 0.479 310 W N 0.634 121.961 121.300 0.045 0.000 2.418 310 W HA 0.281 4.963 4.660 0.037 0.000 0.292 310 W C 1.220 177.831 176.519 0.152 0.000 1.213 310 W CA 1.609 59.006 57.345 0.087 0.000 1.283 310 W CB -0.825 28.690 29.460 0.091 0.000 1.119 310 W HN 0.187 nan 8.180 nan 0.000 0.542 311 G N 0.299 109.360 108.800 0.435 0.000 2.855 311 G HA2 -0.303 3.680 3.960 0.039 0.000 0.352 311 G HA3 -0.303 3.680 3.960 0.039 0.000 0.352 311 G C 0.674 175.845 174.900 0.451 0.000 1.415 311 G CA 0.046 45.362 45.100 0.360 0.000 0.871 311 G HN 0.280 nan 8.290 nan 0.000 0.543 312 E N -0.153 120.194 120.200 0.246 0.000 2.208 312 E HA -0.057 4.316 4.350 0.039 0.000 0.193 312 E C 2.074 178.818 176.600 0.240 0.000 0.988 312 E CA 1.091 57.625 56.400 0.222 0.000 0.828 312 E CB 0.185 29.826 29.700 -0.099 0.000 0.763 312 E HN 0.674 nan 8.360 nan 0.000 0.478 313 E N 0.784 121.070 120.200 0.143 0.000 2.072 313 E HA -0.123 4.250 4.350 0.039 0.000 0.191 313 E C 2.155 178.759 176.600 0.008 0.000 0.985 313 E CA 1.184 57.622 56.400 0.064 0.000 0.801 313 E CB -0.116 29.608 29.700 0.040 0.000 0.750 313 E HN 0.266 nan 8.360 nan 0.000 0.452 314 G N -0.248 108.568 108.800 0.026 0.000 2.511 314 G HA2 -0.217 3.766 3.960 0.039 0.000 0.217 314 G HA3 -0.217 3.766 3.960 0.039 0.000 0.217 314 G C 1.220 175.796 174.900 -0.540 0.000 1.133 314 G CA 0.244 45.198 45.100 -0.244 0.000 0.792 314 G HN 0.270 nan 8.290 nan 0.000 0.539 315 F N 1.399 121.246 119.950 -0.171 0.000 2.060 315 F HA 0.023 4.574 4.527 0.039 0.000 0.295 315 F C 2.594 178.319 175.800 -0.125 0.000 1.120 315 F CA 1.292 59.251 58.000 -0.068 0.000 1.205 315 F CB -0.072 39.136 39.000 0.347 0.000 0.986 315 F HN -0.021 nan 8.300 nan 0.000 0.470 316 M N 0.568 120.085 119.600 -0.138 0.000 2.202 316 M HA -0.128 4.375 4.480 0.039 0.000 0.262 316 M C 2.411 178.561 176.300 -0.250 0.000 1.063 316 M CA 1.510 56.685 55.300 -0.209 0.000 1.097 316 M CB -2.187 30.401 32.600 -0.019 0.000 1.382 316 M HN 0.348 nan 8.290 nan 0.000 0.413 317 A N -1.028 121.647 122.820 -0.242 0.000 1.930 317 A HA -0.201 4.142 4.320 0.039 0.000 0.217 317 A C 2.047 179.443 177.584 -0.313 0.000 1.175 317 A CA 2.045 53.938 52.037 -0.240 0.000 0.627 317 A CB -0.985 17.888 19.000 -0.212 0.000 0.815 317 A HN 0.584 nan 8.150 nan 0.000 0.443 318 H N 0.374 119.101 119.070 -0.573 0.000 2.293 318 H HA -0.109 4.470 4.556 0.038 0.000 0.300 318 H C 2.076 177.181 175.328 -0.371 0.000 1.082 318 H CA 2.800 58.512 56.048 -0.559 0.000 1.308 318 H CB -0.431 28.751 29.762 -0.966 0.000 1.375 318 H HN 0.291 nan 8.280 nan 0.000 0.495 319 V N 0.093 119.638 119.914 -0.615 0.000 2.252 319 V HA -0.286 3.858 4.120 0.039 0.000 0.249 319 V C 1.809 177.735 176.094 -0.281 0.000 1.056 319 V CA 2.467 64.481 62.300 -0.477 0.000 1.022 319 V CB -0.762 30.792 31.823 -0.449 0.000 0.641 319 V HN 0.383 nan 8.190 nan 0.000 0.445 320 D N 0.367 120.631 120.400 -0.227 0.000 2.149 320 D HA -0.198 4.465 4.640 0.039 0.000 0.194 320 D C 2.373 178.614 176.300 -0.098 0.000 1.001 320 D CA 2.241 56.165 54.000 -0.125 0.000 0.849 320 D CB -0.404 40.330 40.800 -0.110 0.000 0.939 320 D HN 0.560 nan 8.370 nan 0.000 0.449 321 R N 0.068 120.470 120.500 -0.164 0.000 2.092 321 R HA -0.042 4.322 4.340 0.039 0.000 0.231 321 R C 2.420 178.708 176.300 -0.019 0.000 1.119 321 R CA 0.801 56.846 56.100 -0.092 0.000 0.970 321 R CB -0.458 29.774 30.300 -0.112 0.000 0.864 321 R HN 0.199 nan 8.270 nan 0.000 0.440 322 V N 0.881 120.735 119.914 -0.100 0.000 2.427 322 V HA -0.172 3.972 4.120 0.039 0.000 0.248 322 V C 1.899 178.188 176.094 0.326 0.000 1.051 322 V CA 1.533 63.899 62.300 0.110 0.000 1.048 322 V CB -0.243 31.597 31.823 0.028 0.000 0.666 322 V HN 0.238 nan 8.190 nan 0.000 0.456 323 I N 0.556 121.238 120.570 0.186 0.000 2.163 323 I HA -0.213 3.981 4.170 0.039 0.000 0.243 323 I C 2.430 178.722 176.117 0.291 0.000 1.085 323 I CA 2.220 63.678 61.300 0.264 0.000 1.347 323 I CB -0.575 37.507 38.000 0.137 0.000 1.044 323 I HN 0.332 nan 8.210 nan 0.000 0.408 324 D N 0.394 120.894 120.400 0.167 0.000 2.117 324 D HA -0.206 4.458 4.640 0.039 0.000 0.197 324 D C 1.919 178.286 176.300 0.110 0.000 0.987 324 D CA 1.199 55.262 54.000 0.105 0.000 0.829 324 D CB -0.372 40.463 40.800 0.058 0.000 0.961 324 D HN 0.267 nan 8.370 nan 0.000 0.460 325 F N 0.308 120.282 119.950 0.040 0.000 2.095 325 F HA -0.274 4.272 4.527 0.031 0.000 0.298 325 F C 2.033 177.827 175.800 -0.010 0.000 1.104 325 F CA 1.463 59.453 58.000 -0.016 0.000 1.232 325 F CB -0.400 38.555 39.000 -0.074 0.000 0.987 325 F HN -0.038 nan 8.300 nan 0.000 0.475 326 Y N -0.715 119.696 120.300 0.186 0.000 2.373 326 Y HA -0.140 4.431 4.550 0.035 0.000 0.293 326 Y C 2.923 178.803 175.900 -0.034 0.000 1.129 326 Y CA 1.413 59.642 58.100 0.216 0.000 1.226 326 Y CB -0.839 37.949 38.460 0.546 0.000 1.000 326 Y HN 0.152 nan 8.280 nan 0.000 0.549 327 S N 0.363 116.078 115.700 0.025 0.000 2.355 327 S HA -0.210 4.284 4.470 0.039 0.000 0.222 327 S C 1.671 176.009 174.600 -0.438 0.000 1.031 327 S CA 1.911 59.852 58.200 -0.430 0.000 0.993 327 S CB -0.445 62.625 63.200 -0.217 0.000 0.859 327 S HN 0.623 nan 8.310 nan 0.000 0.453 328 N N 0.627 119.131 118.700 -0.327 0.000 2.289 328 N HA -0.067 4.697 4.740 0.039 0.000 0.184 328 N C 1.920 177.191 175.510 -0.398 0.000 1.016 328 N CA 1.012 53.865 53.050 -0.328 0.000 0.872 328 N CB -0.091 38.234 38.487 -0.270 0.000 0.973 328 N HN 0.394 nan 8.380 nan 0.000 0.433 329 Q N 1.139 120.643 119.800 -0.493 0.000 2.124 329 Q HA -0.153 4.210 4.340 0.039 0.000 0.202 329 Q C 1.923 177.537 176.000 -0.642 0.000 0.977 329 Q CA 1.074 56.626 55.803 -0.419 0.000 0.850 329 Q CB -0.195 28.386 28.738 -0.261 0.000 0.901 329 Q HN 0.498 nan 8.270 nan 0.000 0.429 330 K N 1.044 120.866 120.400 -0.964 0.000 1.973 330 K HA -0.197 4.146 4.320 0.039 0.000 0.212 330 K C 1.243 177.459 176.600 -0.640 0.000 1.047 330 K CA 1.649 57.217 56.287 -1.198 0.000 0.937 330 K CB -0.099 31.663 32.500 -1.231 0.000 0.721 330 K HN -0.063 nan 8.250 nan 0.000 0.440 331 D N 0.508 120.620 120.400 -0.481 0.000 2.968 331 D HA -0.310 4.354 4.640 0.039 0.000 0.215 331 D C 1.746 177.884 176.300 -0.270 0.000 1.086 331 D CA 2.599 56.411 54.000 -0.312 0.000 0.891 331 D CB -0.799 39.839 40.800 -0.270 0.000 1.019 331 D HN 0.506 nan 8.370 nan 0.000 0.494 332 A N 0.056 122.712 122.820 -0.273 0.000 1.898 332 A HA -0.101 4.243 4.320 0.039 0.000 0.216 332 A C 2.462 179.926 177.584 -0.199 0.000 1.181 332 A CA 1.228 53.148 52.037 -0.196 0.000 0.620 332 A CB -0.655 18.247 19.000 -0.165 0.000 0.819 332 A HN 0.361 nan 8.150 nan 0.000 0.442 333 I N -0.858 119.562 120.570 -0.250 0.000 2.353 333 I HA -0.174 4.020 4.170 0.039 0.000 0.248 333 I C 2.022 177.909 176.117 -0.383 0.000 1.119 333 I CA 0.749 61.907 61.300 -0.236 0.000 1.417 333 I CB -0.018 37.936 38.000 -0.077 0.000 1.078 333 I HN 0.199 nan 8.210 nan 0.000 0.421 334 L N 0.962 121.993 121.223 -0.320 0.000 2.012 334 L HA -0.194 4.170 4.340 0.039 0.000 0.210 334 L C 2.745 179.483 176.870 -0.220 0.000 1.073 334 L CA 2.274 56.977 54.840 -0.229 0.000 0.748 334 L CB -1.709 40.283 42.059 -0.112 0.000 0.891 334 L HN 0.257 nan 8.230 nan 0.000 0.431 335 A N -0.935 121.765 122.820 -0.200 0.000 1.933 335 A HA -0.113 4.231 4.320 0.039 0.000 0.218 335 A C 2.458 179.922 177.584 -0.200 0.000 1.175 335 A CA 1.638 53.577 52.037 -0.163 0.000 0.628 335 A CB -0.731 18.193 19.000 -0.126 0.000 0.814 335 A HN 0.404 nan 8.150 nan 0.000 0.444 336 A N -0.357 122.303 122.820 -0.266 0.000 1.972 336 A HA 0.205 4.549 4.320 0.039 0.000 0.219 336 A C 2.399 179.655 177.584 -0.548 0.000 1.169 336 A CA 1.932 53.808 52.037 -0.269 0.000 0.635 336 A CB -0.708 18.145 19.000 -0.244 0.000 0.810 336 A HN 0.947 nan 8.150 nan 0.000 0.446 337 A N -0.250 122.034 122.820 -0.893 0.000 1.903 337 A HA -0.057 4.286 4.320 0.039 0.000 0.213 337 A C 1.753 179.160 177.584 -0.294 0.000 1.185 337 A CA 1.324 52.771 52.037 -0.983 0.000 0.628 337 A CB -0.414 17.562 19.000 -1.706 0.000 0.830 337 A HN 0.434 nan 8.150 nan 0.000 0.446 338 D N 0.020 120.407 120.400 -0.022 0.000 2.133 338 D HA -0.215 4.449 4.640 0.039 0.000 0.195 338 D C 1.855 178.133 176.300 -0.036 0.000 0.997 338 D CA 1.806 55.877 54.000 0.119 0.000 0.840 338 D CB -0.161 40.688 40.800 0.081 0.000 0.947 338 D HN 0.594 nan 8.370 nan 0.000 0.452 339 K N -0.427 119.868 120.400 -0.175 0.000 2.026 339 K HA -0.161 4.183 4.320 0.039 0.000 0.208 339 K C 1.968 178.274 176.600 -0.491 0.000 1.048 339 K CA 1.325 57.385 56.287 -0.379 0.000 0.929 339 K CB -0.070 32.140 32.500 -0.483 0.000 0.713 339 K HN 0.165 nan 8.250 nan 0.000 0.439 340 W N -0.865 120.433 121.300 -0.004 0.000 2.735 340 W HA 0.155 4.844 4.660 0.048 0.000 0.264 340 W C 1.132 177.698 176.519 0.080 0.000 1.233 340 W CA -0.570 56.805 57.345 0.050 0.000 1.408 340 W CB 0.401 29.924 29.460 0.105 0.000 1.038 340 W HN 0.034 nan 8.180 nan 0.000 0.603 341 L N 0.404 121.787 121.223 0.267 0.000 2.693 341 L HA 0.197 4.561 4.340 0.039 0.000 0.235 341 L C 1.196 178.269 176.870 0.338 0.000 1.127 341 L CA 0.566 55.580 54.840 0.291 0.000 0.914 341 L CB -1.114 41.062 42.059 0.196 0.000 1.193 341 L HN -0.209 nan 8.230 nan 0.000 0.502 342 T N -1.930 112.787 114.554 0.273 0.000 2.853 342 T HA 0.418 4.792 4.350 0.039 0.000 0.298 342 T C 1.331 176.096 174.700 0.107 0.000 0.978 342 T CA 0.473 62.689 62.100 0.194 0.000 1.152 342 T CB 0.889 69.819 68.868 0.104 0.000 0.914 342 T HN 0.569 nan 8.240 nan 0.000 0.539 343 G N 2.809 111.646 108.800 0.063 0.000 2.195 343 G HA2 -0.181 3.802 3.960 0.039 0.000 0.246 343 G HA3 -0.181 3.802 3.960 0.039 0.000 0.246 343 G C 0.400 175.331 174.900 0.053 0.000 0.984 343 G CA 0.166 45.287 45.100 0.034 0.000 0.633 343 G HN 0.762 nan 8.290 nan 0.000 0.525 344 L N -0.068 121.215 121.223 0.100 0.000 3.259 344 L HA 0.715 5.079 4.340 0.039 0.000 0.292 344 L C 0.659 177.587 176.870 0.097 0.000 1.219 344 L CA 1.140 56.029 54.840 0.081 0.000 1.035 344 L CB 0.244 42.346 42.059 0.071 0.000 1.424 344 L HN 0.841 nan 8.230 nan 0.000 0.603 345 A N -0.159 122.763 122.820 0.170 0.000 2.594 345 A HA 0.701 5.044 4.320 0.039 0.000 0.295 345 A C -1.016 176.691 177.584 0.206 0.000 1.071 345 A CA -0.504 51.657 52.037 0.207 0.000 0.685 345 A CB 1.767 20.959 19.000 0.321 0.000 1.285 345 A HN 0.168 nan 8.150 nan 0.000 0.405 346 E N -0.197 120.062 120.200 0.099 0.000 2.256 346 E HA 0.649 5.023 4.350 0.039 0.000 0.267 346 E C -1.562 175.103 176.600 0.108 0.000 0.892 346 E CA -0.423 55.907 56.400 -0.118 0.000 0.775 346 E CB 2.130 31.726 29.700 -0.174 0.000 1.207 346 E HN 0.683 nan 8.360 nan 0.000 0.420 347 W N 0.619 121.834 121.300 -0.142 0.000 3.479 347 W HA 0.384 5.075 4.660 0.052 0.000 0.304 347 W C -1.126 175.275 176.519 -0.197 0.000 1.243 347 W CA -0.761 56.528 57.345 -0.094 0.000 1.202 347 W CB 0.326 29.813 29.460 0.045 0.000 1.346 347 W HN 0.372 nan 8.180 nan 0.000 0.539 348 H N 1.834 121.072 119.070 0.279 0.000 2.505 348 H HA 0.419 4.999 4.556 0.039 0.000 0.355 348 H C 0.214 175.729 175.328 0.312 0.000 1.179 348 H CA -0.561 55.606 56.048 0.198 0.000 1.343 348 H CB 2.125 31.997 29.762 0.183 0.000 1.501 348 H HN 0.562 nan 8.280 nan 0.000 0.569 349 V N 1.447 121.567 119.914 0.344 0.000 2.530 349 V HA 0.237 4.381 4.120 0.039 0.000 0.282 349 V C -2.375 173.899 176.094 0.300 0.000 1.048 349 V CA -1.621 60.858 62.300 0.298 0.000 0.997 349 V CB 0.547 32.475 31.823 0.175 0.000 0.987 349 V HN 0.524 nan 8.190 nan 0.000 0.477 350 P HA 0.229 nan 4.420 nan 0.000 0.263 350 P C 0.372 177.917 177.300 0.408 0.000 1.195 350 P CA 0.400 63.727 63.100 0.379 0.000 0.762 350 P CB 1.100 33.124 31.700 0.540 0.000 0.799 351 A N 2.692 125.665 122.820 0.255 0.000 2.132 351 A HA 0.502 4.845 4.320 0.039 0.000 0.213 351 A C 0.870 178.419 177.584 -0.057 0.000 1.154 351 A CA 1.331 53.469 52.037 0.170 0.000 0.753 351 A CB -0.197 18.844 19.000 0.068 0.000 0.826 351 A HN 0.658 nan 8.150 nan 0.000 0.469 352 A N -3.513 119.169 122.820 -0.229 0.000 2.540 352 A HA 0.654 4.998 4.320 0.039 0.000 0.291 352 A C 0.450 177.736 177.584 -0.496 0.000 1.083 352 A CA 0.092 51.694 52.037 -0.724 0.000 0.650 352 A CB -0.409 18.346 19.000 -0.408 0.000 1.292 352 A HN 2.101 nan 8.150 nan 0.000 0.435 353 G N -0.939 107.500 108.800 -0.602 0.000 2.615 353 G HA2 0.205 4.189 3.960 0.039 0.000 0.218 353 G HA3 0.205 4.189 3.960 0.039 0.000 0.218 353 G C 0.251 174.868 174.900 -0.472 0.000 1.339 353 G CA 0.806 45.448 45.100 -0.764 0.000 0.884 353 G HN 2.264 nan 8.290 nan 0.000 0.559 354 M N -2.010 117.029 119.600 -0.934 0.000 2.511 354 M HA 0.635 5.138 4.480 0.039 0.000 0.387 354 M C -0.535 174.671 176.300 -1.824 0.000 1.112 354 M CA -0.128 54.316 55.300 -1.428 0.000 0.921 354 M CB 0.676 32.728 32.600 -0.914 0.000 1.501 354 M HN 0.214 nan 8.290 nan 0.000 0.538 355 F N 1.536 121.126 119.950 -0.600 0.000 2.532 355 F HA 0.711 5.251 4.527 0.022 0.000 0.321 355 F C -0.664 175.278 175.800 0.237 0.000 1.089 355 F CA -1.405 56.477 58.000 -0.196 0.000 0.926 355 F CB 1.706 40.625 39.000 -0.136 0.000 1.168 355 F HN -0.057 nan 8.300 nan 0.000 0.459 356 L N 3.564 125.122 121.223 0.560 0.000 2.307 356 L HA 0.406 4.769 4.340 0.039 0.000 0.284 356 L C -1.302 175.875 176.870 0.512 0.000 1.023 356 L CA -0.551 54.598 54.840 0.514 0.000 0.810 356 L CB 1.141 43.449 42.059 0.414 0.000 1.231 356 L HN 0.741 nan 8.230 nan 0.000 0.423 357 W N 8.384 129.844 121.300 0.265 0.000 2.294 357 W HA 0.483 5.161 4.660 0.030 0.000 0.314 357 W C -1.206 175.525 176.519 0.353 0.000 1.044 357 W CA -1.105 56.389 57.345 0.248 0.000 1.284 357 W CB 1.633 31.205 29.460 0.187 0.000 1.231 357 W HN 0.546 nan 8.180 nan 0.000 0.419 358 I N 4.836 125.470 120.570 0.108 0.000 2.410 358 I HA 0.359 4.553 4.170 0.039 0.000 0.286 358 I C -0.871 175.155 176.117 -0.151 0.000 1.009 358 I CA -0.705 60.654 61.300 0.099 0.000 1.111 358 I CB 1.690 39.789 38.000 0.164 0.000 1.262 358 I HN 0.313 nan 8.210 nan 0.000 0.443 359 K N 7.204 127.492 120.400 -0.187 0.000 2.284 359 K HA 0.392 4.735 4.320 0.039 0.000 0.287 359 K C -0.380 176.079 176.600 -0.234 0.000 1.081 359 K CA -0.579 55.410 56.287 -0.498 0.000 0.910 359 K CB 0.892 33.058 32.500 -0.556 0.000 1.088 359 K HN 0.746 nan 8.250 nan 0.000 0.478 360 V N 3.239 123.012 119.914 -0.235 0.000 2.686 360 V HA 0.135 4.278 4.120 0.039 0.000 0.295 360 V C 0.735 176.758 176.094 -0.118 0.000 1.055 360 V CA 0.068 62.302 62.300 -0.110 0.000 1.050 360 V CB 1.322 33.102 31.823 -0.072 0.000 0.984 360 V HN 0.841 nan 8.190 nan 0.000 0.482 361 K N 3.978 124.345 120.400 -0.055 0.000 2.044 361 K HA 0.214 4.558 4.320 0.039 0.000 0.204 361 K C 1.446 178.017 176.600 -0.047 0.000 1.045 361 K CA 1.185 57.440 56.287 -0.053 0.000 0.951 361 K CB -0.095 32.388 32.500 -0.029 0.000 0.738 361 K HN 0.885 nan 8.250 nan 0.000 0.443 362 G N 1.477 110.258 108.800 -0.032 0.000 4.291 362 G HA2 0.370 4.353 3.960 0.039 0.000 0.304 362 G HA3 0.370 4.353 3.960 0.039 0.000 0.304 362 G C -0.379 174.503 174.900 -0.031 0.000 1.264 362 G CA -0.283 44.800 45.100 -0.028 0.000 1.039 362 G HN 0.019 nan 8.290 nan 0.000 0.578 363 I N -0.036 120.508 120.570 -0.045 0.000 2.534 363 I HA 0.248 4.441 4.170 0.039 0.000 0.288 363 I C 0.051 176.136 176.117 -0.053 0.000 1.077 363 I CA -0.955 60.319 61.300 -0.043 0.000 1.051 363 I CB 2.262 40.237 38.000 -0.042 0.000 1.234 363 I HN -0.140 nan 8.210 nan 0.000 0.425 364 N N 2.322 120.999 118.700 -0.038 0.000 2.173 364 N HA -0.040 4.723 4.740 0.039 0.000 0.184 364 N C -0.054 175.437 175.510 -0.032 0.000 1.025 364 N CA 1.192 54.221 53.050 -0.035 0.000 0.852 364 N CB 0.101 38.574 38.487 -0.024 0.000 0.998 364 N HN 0.592 nan 8.380 nan 0.000 0.427 365 D N -0.899 119.486 120.400 -0.024 0.000 2.502 365 D HA 0.187 4.850 4.640 0.039 0.000 0.249 365 D C -0.101 176.193 176.300 -0.011 0.000 1.092 365 D CA -0.381 53.611 54.000 -0.013 0.000 0.839 365 D CB 2.167 42.963 40.800 -0.005 0.000 1.264 365 D HN -0.202 nan 8.370 nan 0.000 0.511 366 V N 4.753 124.665 119.914 -0.003 0.000 3.633 366 V HA 0.102 4.246 4.120 0.039 0.000 0.283 366 V C 1.773 177.874 176.094 0.012 0.000 1.305 366 V CA 0.695 62.992 62.300 -0.005 0.000 1.153 366 V CB -0.448 31.365 31.823 -0.017 0.000 0.950 366 V HN 0.533 nan 8.190 nan 0.000 0.432 367 K N 0.168 120.579 120.400 0.019 0.000 2.002 367 K HA -0.194 4.149 4.320 0.039 0.000 0.209 367 K C 1.946 178.553 176.600 0.011 0.000 1.048 367 K CA 2.122 58.423 56.287 0.023 0.000 0.930 367 K CB 0.092 32.605 32.500 0.022 0.000 0.714 367 K HN 0.478 nan 8.250 nan 0.000 0.438 368 E N 0.711 120.913 120.200 0.003 0.000 2.152 368 E HA -0.162 4.211 4.350 0.039 0.000 0.192 368 E C 1.664 178.260 176.600 -0.006 0.000 0.983 368 E CA 0.602 57.001 56.400 -0.002 0.000 0.818 368 E CB -0.121 29.576 29.700 -0.004 0.000 0.758 368 E HN 0.219 nan 8.360 nan 0.000 0.467 369 L N 0.135 121.353 121.223 -0.008 0.000 2.056 369 L HA -0.108 4.255 4.340 0.039 0.000 0.207 369 L C 1.630 178.489 176.870 -0.018 0.000 1.078 369 L CA 1.650 56.481 54.840 -0.015 0.000 0.749 369 L CB -0.212 41.835 42.059 -0.019 0.000 0.901 369 L HN 0.043 nan 8.230 nan 0.000 0.433 370 I N 0.579 121.143 120.570 -0.010 0.000 2.270 370 I HA -0.132 4.061 4.170 0.039 0.000 0.239 370 I C 2.505 178.619 176.117 -0.005 0.000 1.080 370 I CA 1.531 62.825 61.300 -0.009 0.000 1.383 370 I CB -1.581 36.422 38.000 0.006 0.000 1.097 370 I HN 0.536 nan 8.210 nan 0.000 0.420 371 E N 1.132 121.334 120.200 0.004 0.000 2.478 371 E HA -0.127 4.246 4.350 0.039 0.000 0.198 371 E C 1.130 177.730 176.600 -0.000 0.000 1.046 371 E CA 0.909 57.312 56.400 0.006 0.000 0.870 371 E CB 0.170 29.876 29.700 0.011 0.000 0.818 371 E HN 0.617 nan 8.360 nan 0.000 0.527 372 E N 0.230 120.427 120.200 -0.005 0.000 3.203 372 E HA 0.099 4.472 4.350 0.039 0.000 0.200 372 E C 1.702 178.294 176.600 -0.013 0.000 1.089 372 E CA -0.241 56.154 56.400 -0.008 0.000 1.430 372 E CB 0.161 29.857 29.700 -0.007 0.000 1.328 372 E HN 0.002 nan 8.360 nan 0.000 0.580 373 K N 1.519 121.909 120.400 -0.016 0.000 2.005 373 K HA 0.090 4.433 4.320 0.039 0.000 0.206 373 K C 2.233 178.815 176.600 -0.030 0.000 1.044 373 K CA 1.133 57.407 56.287 -0.022 0.000 0.942 373 K CB -0.078 32.407 32.500 -0.024 0.000 0.727 373 K HN 0.012 nan 8.250 nan 0.000 0.439 374 A N 1.257 124.057 122.820 -0.034 0.000 1.898 374 A HA -0.122 4.221 4.320 0.039 0.000 0.216 374 A C 2.300 179.861 177.584 -0.039 0.000 1.181 374 A CA 1.490 53.499 52.037 -0.047 0.000 0.620 374 A CB -0.892 18.073 19.000 -0.058 0.000 0.819 374 A HN 0.180 nan 8.150 nan 0.000 0.442 375 V N 0.134 120.033 119.914 -0.026 0.000 2.324 375 V HA -0.314 3.830 4.120 0.039 0.000 0.250 375 V C 2.250 178.333 176.094 -0.019 0.000 1.060 375 V CA 2.964 65.254 62.300 -0.018 0.000 1.042 375 V CB -0.598 31.221 31.823 -0.008 0.000 0.650 375 V HN 0.629 nan 8.190 nan 0.000 0.450 376 K N -1.058 119.330 120.400 -0.020 0.000 2.280 376 K HA -0.033 4.310 4.320 0.039 0.000 0.202 376 K C 1.758 178.343 176.600 -0.026 0.000 1.047 376 K CA 1.397 57.672 56.287 -0.019 0.000 0.942 376 K CB -0.080 32.409 32.500 -0.018 0.000 0.739 376 K HN 0.421 nan 8.250 nan 0.000 0.457 377 M N -0.594 118.985 119.600 -0.035 0.000 2.495 377 M HA 0.150 4.654 4.480 0.039 0.000 0.237 377 M C 0.667 176.939 176.300 -0.046 0.000 1.131 377 M CA 0.519 55.792 55.300 -0.045 0.000 1.032 377 M CB 0.248 32.811 32.600 -0.061 0.000 1.513 377 M HN 0.280 nan 8.290 nan 0.000 0.488 378 G N 2.077 110.855 108.800 -0.036 0.000 2.246 378 G HA2 -0.161 3.822 3.960 0.039 0.000 0.273 378 G HA3 -0.161 3.822 3.960 0.039 0.000 0.273 378 G C -0.084 174.792 174.900 -0.039 0.000 1.055 378 G CA 0.445 45.527 45.100 -0.031 0.000 0.851 378 G HN 0.602 nan 8.290 nan 0.000 0.500 379 V N -1.263 118.621 119.914 -0.049 0.000 2.623 379 V HA 0.839 4.982 4.120 0.039 0.000 0.304 379 V C -0.172 175.892 176.094 -0.050 0.000 1.054 379 V CA -1.361 60.902 62.300 -0.062 0.000 0.882 379 V CB 1.779 33.539 31.823 -0.105 0.000 1.002 379 V HN 0.440 nan 8.190 nan 0.000 0.424 380 L N 6.723 127.927 121.223 -0.032 0.000 2.317 380 L HA 0.755 5.119 4.340 0.039 0.000 0.281 380 L C -0.044 176.819 176.870 -0.012 0.000 1.024 380 L CA -0.519 54.314 54.840 -0.011 0.000 0.810 380 L CB 1.889 43.957 42.059 0.016 0.000 1.240 380 L HN 0.658 nan 8.230 nan 0.000 0.427 381 M N 2.675 122.275 119.600 0.000 0.000 2.716 381 M HA 0.456 4.959 4.480 0.039 0.000 0.278 381 M C -1.497 174.849 176.300 0.078 0.000 1.281 381 M CA -0.821 54.498 55.300 0.032 0.000 0.814 381 M CB 2.692 35.279 32.600 -0.021 0.000 1.719 381 M HN 0.251 nan 8.290 nan 0.000 0.457 382 L N 3.264 124.568 121.223 0.135 0.000 2.283 382 L HA 0.514 4.878 4.340 0.039 0.000 0.281 382 L C -2.376 174.646 176.870 0.253 0.000 1.033 382 L CA -1.533 53.423 54.840 0.194 0.000 0.848 382 L CB 0.709 42.920 42.059 0.254 0.000 1.226 382 L HN 0.224 nan 8.230 nan 0.000 0.429 383 P HA 0.043 nan 4.420 nan 0.000 0.266 383 P C 0.780 178.314 177.300 0.390 0.000 1.186 383 P CA 0.242 63.473 63.100 0.217 0.000 0.767 383 P CB 0.635 32.422 31.700 0.146 0.000 0.820 384 G N 2.535 111.607 108.800 0.454 0.000 2.559 384 G HA2 -0.229 3.755 3.960 0.039 0.000 0.216 384 G HA3 -0.229 3.755 3.960 0.039 0.000 0.216 384 G C 1.087 176.453 174.900 0.778 0.000 1.126 384 G CA 0.239 45.851 45.100 0.853 0.000 0.778 384 G HN 0.467 nan 8.290 nan 0.000 0.543 385 N N 1.428 120.382 118.700 0.422 0.000 2.184 385 N HA -0.102 4.661 4.740 0.039 0.000 0.190 385 N C 1.994 177.654 175.510 0.250 0.000 1.011 385 N CA 1.391 54.617 53.050 0.294 0.000 0.867 385 N CB -0.203 38.360 38.487 0.127 0.000 0.993 385 N HN 0.350 nan 8.380 nan 0.000 0.433 386 A N -0.875 121.970 122.820 0.042 0.000 2.275 386 A HA 0.226 4.570 4.320 0.039 0.000 0.212 386 A C 0.536 177.842 177.584 -0.463 0.000 1.201 386 A CA -0.102 51.782 52.037 -0.255 0.000 0.843 386 A CB -0.344 18.399 19.000 -0.429 0.000 0.873 386 A HN 0.210 nan 8.150 nan 0.000 0.492 387 F N -1.269 118.734 119.950 0.089 0.000 2.645 387 F HA 0.332 4.877 4.527 0.030 0.000 0.300 387 F C -0.329 175.265 175.800 -0.342 0.000 1.115 387 F CA -0.201 57.705 58.000 -0.156 0.000 1.355 387 F CB -0.273 38.553 39.000 -0.290 0.000 1.026 387 F HN 0.153 nan 8.300 nan 0.000 0.536 388 Y N -2.108 118.240 120.300 0.079 0.000 2.499 388 Y HA 0.352 4.924 4.550 0.037 0.000 0.347 388 Y C 0.991 176.885 175.900 -0.010 0.000 0.987 388 Y CA -1.239 56.894 58.100 0.054 0.000 1.044 388 Y CB 1.273 39.783 38.460 0.084 0.000 1.245 388 Y HN -0.308 nan 8.280 nan 0.000 0.461 389 V N 0.321 120.310 119.914 0.127 0.000 2.453 389 V HA -0.253 3.891 4.120 0.039 0.000 0.252 389 V C 0.488 176.597 176.094 0.025 0.000 1.068 389 V CA 2.198 64.520 62.300 0.037 0.000 1.070 389 V CB -0.306 31.534 31.823 0.029 0.000 0.664 389 V HN 0.721 nan 8.190 nan 0.000 0.461 390 D N -0.661 119.783 120.400 0.074 0.000 2.499 390 D HA 0.162 4.825 4.640 0.039 0.000 0.225 390 D C 1.248 177.577 176.300 0.049 0.000 1.124 390 D CA 0.378 54.398 54.000 0.034 0.000 0.938 390 D CB 0.784 41.601 40.800 0.027 0.000 1.014 390 D HN 0.333 nan 8.370 nan 0.000 0.517 391 S N 0.624 116.338 115.700 0.024 0.000 2.555 391 S HA -0.137 4.357 4.470 0.039 0.000 0.230 391 S C 1.698 176.305 174.600 0.011 0.000 0.978 391 S CA 0.500 58.721 58.200 0.035 0.000 0.934 391 S CB -0.267 62.927 63.200 -0.011 0.000 0.766 391 S HN 0.350 nan 8.310 nan 0.000 0.533 392 S N 1.154 116.850 115.700 -0.006 0.000 2.527 392 S HA 0.463 4.957 4.470 0.039 0.000 0.222 392 S C 0.801 175.392 174.600 -0.015 0.000 0.985 392 S CA -0.017 58.176 58.200 -0.012 0.000 0.921 392 S CB -0.386 62.805 63.200 -0.016 0.000 0.772 392 S HN 0.682 nan 8.310 nan 0.000 0.529 393 A N 3.597 126.402 122.820 -0.026 0.000 2.401 393 A HA 0.598 4.941 4.320 0.039 0.000 0.259 393 A C -2.218 175.334 177.584 -0.053 0.000 1.103 393 A CA -1.762 50.245 52.037 -0.050 0.000 0.789 393 A CB -0.135 18.815 19.000 -0.083 0.000 1.035 393 A HN 0.315 nan 8.150 nan 0.000 0.491 394 P HA 0.150 nan 4.420 nan 0.000 0.269 394 P C -0.349 176.931 177.300 -0.034 0.000 1.215 394 P CA 0.111 63.196 63.100 -0.024 0.000 0.780 394 P CB 0.967 32.655 31.700 -0.021 0.000 0.898 395 S N 1.906 117.614 115.700 0.014 0.000 2.672 395 S HA 0.467 4.961 4.470 0.039 0.000 0.291 395 S C -2.281 172.351 174.600 0.054 0.000 1.145 395 S CA -1.644 56.608 58.200 0.086 0.000 1.013 395 S CB 1.457 64.777 63.200 0.200 0.000 1.017 395 S HN 0.200 nan 8.310 nan 0.000 0.487 396 P HA 0.134 nan 4.420 nan 0.000 0.249 396 P C -0.705 176.375 177.300 -0.366 0.000 1.241 396 P CA 0.271 63.232 63.100 -0.232 0.000 0.781 396 P CB -0.373 31.101 31.700 -0.377 0.000 1.088 397 Y N -0.184 120.003 120.300 -0.188 0.000 2.420 397 Y HA 0.480 5.051 4.550 0.035 0.000 0.334 397 Y C 0.691 176.411 175.900 -0.300 0.000 1.094 397 Y CA -0.828 56.993 58.100 -0.466 0.000 1.126 397 Y CB 1.546 39.438 38.460 -0.946 0.000 1.217 397 Y HN -0.293 nan 8.280 nan 0.000 0.462 398 L N 3.597 124.723 121.223 -0.161 0.000 2.386 398 L HA 0.581 4.944 4.340 0.039 0.000 0.271 398 L C -0.443 176.519 176.870 0.154 0.000 0.993 398 L CA -0.908 53.950 54.840 0.030 0.000 0.819 398 L CB 2.121 44.189 42.059 0.015 0.000 1.294 398 L HN 0.522 nan 8.230 nan 0.000 0.414 399 R N 2.544 123.238 120.500 0.324 0.000 2.346 399 R HA 0.805 5.169 4.340 0.039 0.000 0.311 399 R C -1.153 175.307 176.300 0.266 0.000 0.983 399 R CA -0.363 55.954 56.100 0.361 0.000 0.880 399 R CB 1.650 32.062 30.300 0.186 0.000 1.100 399 R HN 0.734 nan 8.270 nan 0.000 0.453 400 A N 3.180 126.191 122.820 0.318 0.000 2.357 400 A HA 0.325 4.668 4.320 0.039 0.000 0.295 400 A C -0.766 177.049 177.584 0.385 0.000 1.121 400 A CA -0.545 51.667 52.037 0.291 0.000 0.742 400 A CB 1.778 20.929 19.000 0.252 0.000 1.181 400 A HN 0.668 nan 8.150 nan 0.000 0.454 401 S N 1.018 116.928 115.700 0.350 0.000 2.584 401 S HA 0.561 5.055 4.470 0.039 0.000 0.273 401 S C 0.150 174.860 174.600 0.185 0.000 1.311 401 S CA -0.328 57.984 58.200 0.188 0.000 1.034 401 S CB 0.000 63.266 63.200 0.110 0.000 0.939 401 S HN 1.148 nan 8.310 nan 0.000 0.513 402 F N 2.186 122.210 119.950 0.123 0.000 2.708 402 F HA 0.368 4.918 4.527 0.037 0.000 0.300 402 F C 1.475 177.320 175.800 0.074 0.000 1.118 402 F CA -0.323 57.729 58.000 0.087 0.000 1.307 402 F CB -0.895 38.140 39.000 0.058 0.000 0.986 402 F HN 0.496 nan 8.300 nan 0.000 0.522 403 S N -0.952 114.788 115.700 0.067 0.000 2.402 403 S HA -0.079 4.414 4.470 0.039 0.000 0.229 403 S C 1.570 176.268 174.600 0.163 0.000 1.021 403 S CA 1.401 59.700 58.200 0.164 0.000 0.974 403 S CB -0.455 62.878 63.200 0.221 0.000 0.800 403 S HN 0.373 nan 8.310 nan 0.000 0.484 404 S N 0.745 116.537 115.700 0.154 0.000 2.931 404 S HA 0.602 5.095 4.470 0.039 0.000 0.251 404 S C 0.870 175.547 174.600 0.128 0.000 1.078 404 S CA 0.045 58.332 58.200 0.146 0.000 0.835 404 S CB -0.131 63.137 63.200 0.113 0.000 0.798 404 S HN 0.767 nan 8.310 nan 0.000 0.495 405 A N 2.887 125.778 122.820 0.119 0.000 2.555 405 A HA 0.419 4.762 4.320 0.039 0.000 0.233 405 A C 0.638 178.271 177.584 0.081 0.000 1.060 405 A CA 0.032 52.129 52.037 0.099 0.000 0.759 405 A CB -0.088 18.977 19.000 0.108 0.000 0.995 405 A HN 0.526 nan 8.150 nan 0.000 0.506 406 S N 2.225 117.965 115.700 0.066 0.000 2.632 406 S HA 0.480 4.973 4.470 0.039 0.000 0.271 406 S C -1.972 172.654 174.600 0.043 0.000 1.260 406 S CA -1.020 57.208 58.200 0.047 0.000 1.010 406 S CB 0.937 64.163 63.200 0.045 0.000 0.965 406 S HN 0.435 nan 8.310 nan 0.000 0.534 407 P HA -0.191 nan 4.420 nan 0.000 0.216 407 P C 1.314 178.649 177.300 0.057 0.000 1.157 407 P CA 1.544 64.661 63.100 0.028 0.000 0.880 407 P CB -0.058 31.643 31.700 0.002 0.000 0.791 408 E N 0.394 120.624 120.200 0.050 0.000 2.070 408 E HA -0.244 4.130 4.350 0.039 0.000 0.197 408 E C 2.002 178.639 176.600 0.061 0.000 1.004 408 E CA 1.522 57.957 56.400 0.058 0.000 0.805 408 E CB -1.584 28.142 29.700 0.043 0.000 0.744 408 E HN 0.435 nan 8.360 nan 0.000 0.451 409 Q N -0.107 119.726 119.800 0.054 0.000 2.135 409 Q HA -0.042 4.322 4.340 0.039 0.000 0.204 409 Q C 2.317 178.361 176.000 0.073 0.000 0.981 409 Q CA 1.600 57.432 55.803 0.050 0.000 0.856 409 Q CB -0.271 28.496 28.738 0.048 0.000 0.902 409 Q HN 0.313 nan 8.270 nan 0.000 0.425 410 M N 0.039 119.711 119.600 0.120 0.000 2.175 410 M HA -0.184 4.320 4.480 0.039 0.000 0.264 410 M C 1.597 178.077 176.300 0.299 0.000 1.063 410 M CA 1.475 56.911 55.300 0.226 0.000 1.119 410 M CB -0.082 32.649 32.600 0.217 0.000 1.377 410 M HN 0.154 nan 8.290 nan 0.000 0.415 411 D N -0.315 120.211 120.400 0.211 0.000 2.117 411 D HA -0.122 4.541 4.640 0.039 0.000 0.198 411 D C 1.719 178.063 176.300 0.073 0.000 0.982 411 D CA 1.099 55.259 54.000 0.267 0.000 0.828 411 D CB 0.275 41.223 40.800 0.245 0.000 0.967 411 D HN 0.072 nan 8.370 nan 0.000 0.464 412 V N 0.641 120.554 119.914 -0.002 0.000 2.379 412 V HA -0.124 4.020 4.120 0.039 0.000 0.245 412 V C 2.539 178.523 176.094 -0.183 0.000 1.044 412 V CA 1.566 63.793 62.300 -0.123 0.000 1.036 412 V CB -0.853 30.930 31.823 -0.066 0.000 0.664 412 V HN 0.319 nan 8.190 nan 0.000 0.453 413 A N -0.156 122.592 122.820 -0.120 0.000 1.883 413 A HA -0.196 4.148 4.320 0.039 0.000 0.217 413 A C 2.046 179.413 177.584 -0.361 0.000 1.186 413 A CA 1.947 53.851 52.037 -0.220 0.000 0.624 413 A CB -0.766 18.110 19.000 -0.207 0.000 0.822 413 A HN 0.472 nan 8.150 nan 0.000 0.444 414 F N -0.163 119.691 119.950 -0.161 0.000 2.186 414 F HA -0.157 4.404 4.527 0.056 0.000 0.299 414 F C 2.661 178.175 175.800 -0.476 0.000 1.090 414 F CA 1.612 59.512 58.000 -0.168 0.000 1.307 414 F CB -0.258 38.776 39.000 0.057 0.000 1.019 414 F HN 0.304 nan 8.300 nan 0.000 0.489 415 Q N 0.833 120.064 119.800 -0.949 0.000 2.002 415 Q HA -0.185 4.178 4.340 0.039 0.000 0.204 415 Q C 2.378 177.985 176.000 -0.655 0.000 0.988 415 Q CA 2.279 57.179 55.803 -1.504 0.000 0.843 415 Q CB -0.590 27.183 28.738 -1.607 0.000 0.908 415 Q HN 0.295 nan 8.270 nan 0.000 0.420 416 V N 1.899 121.556 119.914 -0.429 0.000 2.392 416 V HA -0.275 3.869 4.120 0.039 0.000 0.249 416 V C 2.509 178.484 176.094 -0.197 0.000 1.059 416 V CA 1.550 63.695 62.300 -0.259 0.000 1.051 416 V CB -0.646 31.058 31.823 -0.198 0.000 0.658 416 V HN 0.428 nan 8.190 nan 0.000 0.455 417 L N -0.197 120.900 121.223 -0.210 0.000 2.044 417 L HA -0.109 4.254 4.340 0.039 0.000 0.205 417 L C 2.641 179.474 176.870 -0.061 0.000 1.075 417 L CA 1.912 56.665 54.840 -0.144 0.000 0.747 417 L CB -0.757 41.177 42.059 -0.208 0.000 0.903 417 L HN 0.371 nan 8.230 nan 0.000 0.435 418 A N -0.352 122.454 122.820 -0.024 0.000 1.869 418 A HA -0.344 3.999 4.320 0.039 0.000 0.218 418 A C 2.184 179.788 177.584 0.033 0.000 1.203 418 A CA 2.239 54.319 52.037 0.072 0.000 0.638 418 A CB -1.030 18.086 19.000 0.193 0.000 0.831 418 A HN 0.624 nan 8.150 nan 0.000 0.450 419 Q N -0.454 119.334 119.800 -0.020 0.000 2.152 419 Q HA -0.181 4.182 4.340 0.039 0.000 0.206 419 Q C 2.037 178.025 176.000 -0.020 0.000 0.985 419 Q CA 1.877 57.668 55.803 -0.020 0.000 0.863 419 Q CB -0.212 28.483 28.738 -0.071 0.000 0.904 419 Q HN 0.714 nan 8.270 nan 0.000 0.422 420 L N -0.089 121.112 121.223 -0.037 0.000 2.179 420 L HA -0.086 4.277 4.340 0.039 0.000 0.208 420 L C 2.441 179.300 176.870 -0.018 0.000 1.096 420 L CA 0.285 55.105 54.840 -0.033 0.000 0.779 420 L CB -0.202 41.828 42.059 -0.047 0.000 0.922 420 L HN 0.205 nan 8.230 nan 0.000 0.443 421 I N 0.244 120.808 120.570 -0.010 0.000 2.163 421 I HA -0.334 3.860 4.170 0.039 0.000 0.243 421 I C 2.213 178.335 176.117 0.008 0.000 1.085 421 I CA 1.656 62.957 61.300 0.002 0.000 1.347 421 I CB -0.132 37.879 38.000 0.019 0.000 1.044 421 I HN 0.249 nan 8.210 nan 0.000 0.408 422 K N 0.228 120.638 120.400 0.017 0.000 2.365 422 K HA -0.038 4.305 4.320 0.039 0.000 0.197 422 K C 1.521 178.127 176.600 0.010 0.000 1.042 422 K CA 0.576 56.875 56.287 0.019 0.000 0.987 422 K CB -0.012 32.508 32.500 0.033 0.000 0.779 422 K HN 0.330 nan 8.250 nan 0.000 0.484 423 E N 0.515 120.717 120.200 0.003 0.000 2.511 423 E HA -0.004 4.370 4.350 0.039 0.000 0.196 423 E C 0.942 177.539 176.600 -0.004 0.000 1.066 423 E CA 0.387 56.787 56.400 -0.001 0.000 0.871 423 E CB 0.310 30.006 29.700 -0.006 0.000 0.863 423 E HN 0.139 nan 8.360 nan 0.000 0.520 424 S N -0.036 115.662 115.700 -0.004 0.000 2.506 424 S HA 0.147 4.640 4.470 0.039 0.000 0.219 424 S C 0.899 175.496 174.600 -0.005 0.000 1.031 424 S CA -0.255 57.941 58.200 -0.007 0.000 0.911 424 S CB 0.489 63.682 63.200 -0.010 0.000 0.812 424 S HN 0.066 nan 8.310 nan 0.000 0.497 425 L N 0.000 121.222 121.223 -0.002 0.000 2.949 425 L HA 0.000 4.364 4.340 0.039 0.000 0.249 425 L CA 0.000 54.839 54.840 -0.002 0.000 0.813 425 L CB 0.000 42.060 42.059 0.002 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502