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 2o9z_1_B DATA FIRST_RESID 3 DATA SEQUENCE GKIDKILIVG GGTAGWMAAS YLGKALQGTA DITLLQAPDI PTLGVGEATI DATA SEQUENCE PNLQTAFFDF LGIPEDEWMR ECNASYKVAI KFINWRTAGE GTSEARELDG DATA SEQUENCE GPDHFYHSFG LLKYHEQIPL SHYWFDRSYR GKTVEPFDYA CYKEPVILDA DATA SEQUENCE NRSPRRLDGS KVTNYAWHFD AHLVADFLRR FATEKLGVRH VEDRVEHVQR DATA SEQUENCE DANGNIESVR TATGRVFDAD LFVDCSGFRG LLINKAMEEP FLDMSDHLLN DATA SEQUENCE DSAVATQVPH DDDANGVEPF TSAIAMKSGW TWKIPMLGRF GTGYVYSSRF DATA SEQUENCE ATEDEAVREF CEMWHLDPET QPLNRIRFRV GRNRRAWVGN CVSIGTSSCF DATA SEQUENCE VEPLESTGIY FVYAALYQLV KHFPDKSLNP VLTARFNREI ETMFDDTRDF DATA SEQUENCE IQAHFYFSPR TDTPFWRANK ELRLADGMQE KIDMYRAGMA INAPASDDAQ DATA SEQUENCE LYYGNFEEEF RNFWNNSNYY CVLAGLGLVP DAPSPRLAHM PQATESVDEV DATA SEQUENCE FGAVKDRQRN LLETLPSLHE FLRQQH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 3 G C 0.000 174.916 174.900 0.027 0.000 0.946 3 G CA 0.000 45.112 45.100 0.019 0.000 0.502 4 K N -0.269 120.152 120.400 0.036 0.000 2.336 4 K HA 0.384 4.705 4.320 0.001 0.000 0.262 4 K C 0.178 176.809 176.600 0.053 0.000 0.992 4 K CA -0.515 55.807 56.287 0.058 0.000 0.927 4 K CB 0.731 33.270 32.500 0.065 0.000 0.956 4 K HN 0.184 nan 8.250 nan 0.000 0.495 5 I N 3.084 123.704 120.570 0.083 0.000 2.662 5 I HA -0.100 4.071 4.170 0.001 0.000 0.285 5 I C 0.637 176.788 176.117 0.055 0.000 1.161 5 I CA 0.478 61.814 61.300 0.060 0.000 1.415 5 I CB 0.240 38.307 38.000 0.112 0.000 1.385 5 I HN 0.776 nan 8.210 nan 0.000 0.552 6 D N 5.470 125.878 120.400 0.013 0.000 2.324 6 D HA 0.087 4.728 4.640 0.001 0.000 0.212 6 D C 0.441 176.732 176.300 -0.014 0.000 0.984 6 D CA 0.979 54.980 54.000 0.003 0.000 0.885 6 D CB 0.708 41.507 40.800 -0.003 0.000 0.996 6 D HN 0.470 nan 8.370 nan 0.000 0.505 7 K N 0.443 120.817 120.400 -0.042 0.000 2.482 7 K HA 0.551 4.872 4.320 0.001 0.000 0.251 7 K C -0.925 175.586 176.600 -0.149 0.000 0.936 7 K CA -0.440 55.802 56.287 -0.076 0.000 0.791 7 K CB 2.861 35.319 32.500 -0.071 0.000 1.213 7 K HN -0.171 nan 8.250 nan 0.000 0.428 8 I N 3.457 123.940 120.570 -0.145 0.000 2.498 8 I HA 0.323 4.494 4.170 0.001 0.000 0.290 8 I C -1.203 174.783 176.117 -0.218 0.000 1.032 8 I CA -1.082 60.092 61.300 -0.210 0.000 1.073 8 I CB 1.740 39.675 38.000 -0.108 0.000 1.251 8 I HN 0.316 nan 8.210 nan 0.000 0.426 9 L N 7.863 128.891 121.223 -0.326 0.000 2.298 9 L HA 0.591 4.932 4.340 0.001 0.000 0.284 9 L C -0.803 175.994 176.870 -0.121 0.000 1.013 9 L CA -0.055 54.669 54.840 -0.193 0.000 0.824 9 L CB 1.039 43.032 42.059 -0.110 0.000 1.221 9 L HN 0.408 nan 8.230 nan 0.000 0.418 10 I N 5.675 126.160 120.570 -0.140 0.000 2.331 10 I HA 0.328 4.499 4.170 0.001 0.000 0.292 10 I C -0.570 175.457 176.117 -0.149 0.000 0.998 10 I CA -0.732 60.479 61.300 -0.148 0.000 1.267 10 I CB 1.600 39.468 38.000 -0.220 0.000 1.386 10 I HN 0.237 nan 8.210 nan 0.000 0.476 11 V N 5.855 125.710 119.914 -0.098 0.000 2.328 11 V HA 0.799 4.920 4.120 0.001 0.000 0.278 11 V C 0.380 176.409 176.094 -0.109 0.000 1.021 11 V CA -0.345 61.900 62.300 -0.092 0.000 0.838 11 V CB 0.619 32.418 31.823 -0.040 0.000 0.999 11 V HN 1.060 nan 8.190 nan 0.000 0.447 12 G N 3.415 112.137 108.800 -0.130 0.000 2.931 12 G HA2 0.344 4.305 3.960 0.001 0.000 0.675 12 G HA3 0.344 4.305 3.960 0.001 0.000 0.675 12 G C -0.080 174.697 174.900 -0.206 0.000 1.339 12 G CA -0.316 44.713 45.100 -0.119 0.000 0.866 12 G HN 1.032 nan 8.290 nan 0.000 0.616 13 G N 0.282 109.009 108.800 -0.123 0.000 3.329 13 G HA2 0.976 4.937 3.960 0.001 0.000 0.180 13 G HA3 0.976 4.937 3.960 0.001 0.000 0.180 13 G C 1.416 176.319 174.900 0.006 0.000 1.640 13 G CA 1.193 46.209 45.100 -0.140 0.000 1.018 13 G HN 2.610 nan 8.290 nan 0.000 0.581 14 G N -1.651 107.272 108.800 0.205 0.000 2.682 14 G HA2 -0.179 3.782 3.960 0.001 0.000 0.256 14 G HA3 -0.179 3.782 3.960 0.001 0.000 0.256 14 G C 1.023 176.069 174.900 0.245 0.000 1.333 14 G CA 0.844 46.071 45.100 0.211 0.000 0.904 14 G HN 1.004 nan 8.290 nan 0.000 0.569 15 T N 0.929 115.599 114.554 0.193 0.000 2.701 15 T HA 0.142 4.493 4.350 0.001 0.000 0.263 15 T C 2.932 177.694 174.700 0.104 0.000 1.040 15 T CA 2.940 65.149 62.100 0.181 0.000 1.147 15 T CB -0.639 68.326 68.868 0.162 0.000 0.865 15 T HN 1.484 nan 8.240 nan 0.000 0.426 16 A N 1.551 124.395 122.820 0.040 0.000 1.877 16 A HA 0.120 4.441 4.320 0.001 0.000 0.216 16 A C 2.631 180.188 177.584 -0.044 0.000 1.186 16 A CA 1.922 53.953 52.037 -0.009 0.000 0.620 16 A CB -1.506 17.483 19.000 -0.018 0.000 0.822 16 A HN 0.500 nan 8.150 nan 0.000 0.443 17 G N -1.292 107.443 108.800 -0.108 0.000 2.529 17 G HA2 -0.308 3.652 3.960 0.001 0.000 0.219 17 G HA3 -0.308 3.652 3.960 0.001 0.000 0.219 17 G C 1.409 176.083 174.900 -0.377 0.000 1.177 17 G CA 1.119 46.039 45.100 -0.300 0.000 0.773 17 G HN 0.691 nan 8.290 nan 0.000 0.573 18 W N 0.131 121.452 121.300 0.035 0.000 2.518 18 W HA 0.275 4.936 4.660 0.001 0.000 0.273 18 W C 2.903 179.500 176.519 0.130 0.000 1.247 18 W CA 0.047 57.428 57.345 0.059 0.000 1.288 18 W CB -0.074 29.416 29.460 0.049 0.000 1.107 18 W HN 0.111 nan 8.180 nan 0.000 0.586 19 M N 0.007 119.770 119.600 0.273 0.000 2.086 19 M HA -0.180 4.301 4.480 0.001 0.000 0.261 19 M C 2.478 178.960 176.300 0.304 0.000 1.067 19 M CA 1.997 57.465 55.300 0.280 0.000 1.116 19 M CB -0.827 31.734 32.600 -0.064 0.000 1.348 19 M HN 0.057 nan 8.290 nan 0.000 0.407 20 A N 0.416 123.311 122.820 0.124 0.000 1.908 20 A HA -0.115 4.206 4.320 0.001 0.000 0.218 20 A C 2.350 180.003 177.584 0.116 0.000 1.181 20 A CA 2.082 54.168 52.037 0.082 0.000 0.627 20 A CB -1.009 17.972 19.000 -0.032 0.000 0.818 20 A HN 0.519 nan 8.150 nan 0.000 0.445 21 A N -0.859 122.005 122.820 0.074 0.000 1.902 21 A HA -0.045 4.276 4.320 0.001 0.000 0.217 21 A C 2.462 180.168 177.584 0.203 0.000 1.181 21 A CA 2.074 54.164 52.037 0.088 0.000 0.623 21 A CB -0.781 18.250 19.000 0.052 0.000 0.818 21 A HN 0.452 nan 8.150 nan 0.000 0.443 22 S N -1.988 113.902 115.700 0.316 0.000 2.345 22 S HA -0.104 4.367 4.470 0.001 0.000 0.220 22 S C 1.868 176.631 174.600 0.271 0.000 1.031 22 S CA 1.341 59.744 58.200 0.337 0.000 0.996 22 S CB -0.538 62.911 63.200 0.415 0.000 0.882 22 S HN 0.652 nan 8.310 nan 0.000 0.445 23 Y N 2.100 122.517 120.300 0.194 0.000 2.114 23 Y HA -0.075 4.476 4.550 0.001 0.000 0.284 23 Y C 2.011 178.005 175.900 0.156 0.000 1.143 23 Y CA 1.414 59.626 58.100 0.187 0.000 1.135 23 Y CB -0.294 38.264 38.460 0.163 0.000 0.980 23 Y HN 0.129 nan 8.280 nan 0.000 0.499 24 L N -0.986 120.402 121.223 0.274 0.000 2.046 24 L HA -0.172 4.169 4.340 0.001 0.000 0.208 24 L C 2.714 179.596 176.870 0.020 0.000 1.077 24 L CA 1.201 56.103 54.840 0.102 0.000 0.747 24 L CB -1.277 40.817 42.059 0.059 0.000 0.896 24 L HN 0.370 nan 8.230 nan 0.000 0.432 25 G N 0.193 109.018 108.800 0.041 0.000 2.440 25 G HA2 -0.337 3.623 3.960 0.001 0.000 0.218 25 G HA3 -0.337 3.623 3.960 0.001 0.000 0.218 25 G C 1.677 176.542 174.900 -0.058 0.000 1.154 25 G CA 1.109 46.201 45.100 -0.014 0.000 0.767 25 G HN 0.188 nan 8.290 nan 0.000 0.552 26 K N 0.929 121.304 120.400 -0.041 0.000 2.001 26 K HA 0.215 4.536 4.320 0.001 0.000 0.208 26 K C 2.765 179.259 176.600 -0.178 0.000 1.048 26 K CA 1.474 57.672 56.287 -0.149 0.000 0.932 26 K CB -0.735 31.619 32.500 -0.243 0.000 0.715 26 K HN 0.161 nan 8.250 nan 0.000 0.437 27 A N 0.309 123.100 122.820 -0.048 0.000 1.902 27 A HA -0.050 4.271 4.320 0.001 0.000 0.217 27 A C 1.735 179.243 177.584 -0.128 0.000 1.181 27 A CA 1.594 53.627 52.037 -0.006 0.000 0.623 27 A CB -0.470 18.541 19.000 0.019 0.000 0.818 27 A HN 0.315 nan 8.150 nan 0.000 0.443 28 L N -0.646 120.485 121.223 -0.153 0.000 2.818 28 L HA 0.183 4.524 4.340 0.001 0.000 0.243 28 L C 0.762 177.557 176.870 -0.125 0.000 1.185 28 L CA -0.407 54.327 54.840 -0.178 0.000 0.988 28 L CB -0.265 41.660 42.059 -0.224 0.000 1.292 28 L HN 0.437 nan 8.230 nan 0.000 0.519 29 Q N 1.546 121.274 119.800 -0.120 0.000 2.398 29 Q HA -0.003 4.338 4.340 0.001 0.000 0.329 29 Q C 1.325 177.272 176.000 -0.089 0.000 1.079 29 Q CA 1.277 57.015 55.803 -0.107 0.000 1.041 29 Q CB 0.303 28.966 28.738 -0.124 0.000 1.084 29 Q HN 0.501 nan 8.270 nan 0.000 0.386 30 G N 2.549 111.304 108.800 -0.076 0.000 2.162 30 G HA2 -0.321 3.640 3.960 0.001 0.000 0.260 30 G HA3 -0.321 3.640 3.960 0.001 0.000 0.260 30 G C 0.490 175.360 174.900 -0.051 0.000 0.976 30 G CA 0.805 45.869 45.100 -0.060 0.000 0.655 30 G HN 0.846 nan 8.290 nan 0.000 0.533 31 T N -3.984 110.537 114.554 -0.055 0.000 3.058 31 T HA 0.741 5.092 4.350 0.001 0.000 0.278 31 T C 0.523 175.204 174.700 -0.031 0.000 0.974 31 T CA 1.116 63.191 62.100 -0.042 0.000 0.893 31 T CB 0.971 69.810 68.868 -0.047 0.000 1.138 31 T HN 1.839 nan 8.240 nan 0.000 0.529 32 A N 0.742 123.539 122.820 -0.038 0.000 2.549 32 A HA 0.647 4.968 4.320 0.001 0.000 0.297 32 A C -1.772 175.796 177.584 -0.027 0.000 1.061 32 A CA -0.776 51.247 52.037 -0.024 0.000 0.690 32 A CB 1.328 20.318 19.000 -0.017 0.000 1.287 32 A HN 0.193 nan 8.150 nan 0.000 0.402 33 D N 1.740 122.128 120.400 -0.021 0.000 2.280 33 D HA 0.487 5.127 4.640 0.001 0.000 0.243 33 D C -0.464 175.822 176.300 -0.024 0.000 1.129 33 D CA 0.524 54.514 54.000 -0.017 0.000 0.848 33 D CB 1.219 42.015 40.800 -0.006 0.000 1.107 33 D HN 0.427 nan 8.370 nan 0.000 0.471 34 I N 1.527 122.085 120.570 -0.021 0.000 2.404 34 I HA 0.236 4.407 4.170 0.001 0.000 0.293 34 I C 0.183 176.289 176.117 -0.019 0.000 0.992 34 I CA -0.431 60.849 61.300 -0.032 0.000 1.149 34 I CB 1.921 39.902 38.000 -0.032 0.000 1.315 34 I HN 0.019 nan 8.210 nan 0.000 0.446 35 T N 6.788 121.313 114.554 -0.047 0.000 2.841 35 T HA 0.537 4.887 4.350 0.001 0.000 0.283 35 T C -0.704 173.916 174.700 -0.134 0.000 1.000 35 T CA -0.476 61.592 62.100 -0.055 0.000 0.977 35 T CB 1.934 70.778 68.868 -0.041 0.000 0.979 35 T HN 0.354 nan 8.240 nan 0.000 0.446 36 L N 3.875 125.018 121.223 -0.133 0.000 2.313 36 L HA 0.646 4.986 4.340 0.001 0.000 0.283 36 L C -1.340 175.444 176.870 -0.144 0.000 1.013 36 L CA -0.894 53.808 54.840 -0.230 0.000 0.816 36 L CB 0.788 42.538 42.059 -0.514 0.000 1.236 36 L HN 0.564 nan 8.230 nan 0.000 0.419 37 L N 5.328 126.430 121.223 -0.201 0.000 2.282 37 L HA 0.518 4.858 4.340 0.001 0.000 0.288 37 L C -0.483 176.343 176.870 -0.073 0.000 1.033 37 L CA -0.156 54.580 54.840 -0.172 0.000 0.807 37 L CB 1.532 43.440 42.059 -0.253 0.000 1.209 37 L HN 0.636 nan 8.230 nan 0.000 0.423 38 Q N 2.689 122.503 119.800 0.023 0.000 2.285 38 Q HA 0.701 5.041 4.340 0.001 0.000 0.269 38 Q C -1.463 174.582 176.000 0.075 0.000 1.030 38 Q CA -0.552 55.308 55.803 0.096 0.000 0.788 38 Q CB 2.537 31.471 28.738 0.326 0.000 1.266 38 Q HN 0.747 nan 8.270 nan 0.000 0.438 39 A N 4.102 126.953 122.820 0.052 0.000 2.337 39 A HA 0.854 5.175 4.320 0.001 0.000 0.331 39 A C -2.502 175.116 177.584 0.055 0.000 1.137 39 A CA -1.428 50.634 52.037 0.042 0.000 0.807 39 A CB 0.733 19.748 19.000 0.025 0.000 1.250 39 A HN 0.585 nan 8.150 nan 0.000 0.468 40 P HA 0.289 nan 4.420 nan 0.000 0.276 40 P C -1.106 176.215 177.300 0.035 0.000 1.230 40 P CA 0.055 63.184 63.100 0.048 0.000 0.776 40 P CB 1.007 32.731 31.700 0.039 0.000 0.888 41 D N 1.556 121.975 120.400 0.031 0.000 2.374 41 D HA 0.292 4.933 4.640 0.001 0.000 0.239 41 D C 0.190 176.499 176.300 0.015 0.000 0.991 41 D CA -0.722 53.291 54.000 0.022 0.000 0.960 41 D CB 1.719 42.533 40.800 0.023 0.000 1.284 41 D HN 0.141 nan 8.370 nan 0.000 0.512 42 I N 3.462 124.042 120.570 0.016 0.000 2.845 42 I HA -0.029 4.142 4.170 0.001 0.000 0.290 42 I C -1.665 174.457 176.117 0.007 0.000 1.202 42 I CA -0.545 60.763 61.300 0.014 0.000 1.406 42 I CB -0.504 37.507 38.000 0.018 0.000 1.383 42 I HN 0.098 nan 8.210 nan 0.000 0.549 43 P HA 0.274 nan 4.420 nan 0.000 0.281 43 P C -0.356 176.945 177.300 0.001 0.000 1.249 43 P CA -0.311 62.765 63.100 -0.039 0.000 0.810 43 P CB 0.945 32.609 31.700 -0.059 0.000 1.008 44 T N -0.962 113.601 114.554 0.014 0.000 2.952 44 T HA 0.550 4.901 4.350 0.001 0.000 0.286 44 T C 0.446 175.269 174.700 0.206 0.000 1.024 44 T CA -0.974 61.204 62.100 0.130 0.000 1.029 44 T CB 0.415 69.408 68.868 0.209 0.000 1.094 44 T HN 0.164 nan 8.240 nan 0.000 0.515 45 L N 1.316 122.657 121.223 0.196 0.000 2.483 45 L HA 0.395 4.736 4.340 0.001 0.000 0.276 45 L C 1.385 178.425 176.870 0.282 0.000 1.213 45 L CA -0.208 54.754 54.840 0.203 0.000 0.843 45 L CB 0.134 42.278 42.059 0.141 0.000 1.107 45 L HN 1.018 nan 8.230 nan 0.000 0.487 46 G N 1.925 110.871 108.800 0.243 0.000 2.439 46 G HA2 0.354 4.314 3.960 0.001 0.000 0.298 46 G HA3 0.354 4.314 3.960 0.001 0.000 0.298 46 G C 0.722 175.700 174.900 0.131 0.000 1.044 46 G CA -0.251 44.925 45.100 0.126 0.000 1.168 46 G HN 0.631 nan 8.290 nan 0.000 0.433 47 V N 0.812 120.828 119.914 0.171 0.000 3.621 47 V HA 0.651 4.772 4.120 0.001 0.000 0.285 47 V C 1.013 177.335 176.094 0.379 0.000 1.346 47 V CA 0.065 62.549 62.300 0.306 0.000 1.104 47 V CB -0.889 31.195 31.823 0.434 0.000 0.913 47 V HN 1.626 nan 8.190 nan 0.000 0.432 48 G N 0.308 109.207 108.800 0.165 0.000 2.784 48 G HA2 0.091 4.052 3.960 0.001 0.000 0.686 48 G HA3 0.091 4.052 3.960 0.001 0.000 0.686 48 G C -0.984 173.843 174.900 -0.123 0.000 1.156 48 G CA -0.142 44.996 45.100 0.064 0.000 0.757 48 G HN 0.750 nan 8.290 nan 0.000 0.642 49 E N -0.041 120.029 120.200 -0.216 0.000 2.256 49 E HA 0.782 5.133 4.350 0.001 0.000 0.268 49 E C 0.105 176.495 176.600 -0.350 0.000 0.877 49 E CA 0.071 56.268 56.400 -0.339 0.000 0.757 49 E CB 1.762 31.222 29.700 -0.399 0.000 1.183 49 E HN 1.549 nan 8.360 nan 0.000 0.418 50 A N 2.783 125.508 122.820 -0.157 0.000 2.337 50 A HA 0.803 5.124 4.320 0.001 0.000 0.329 50 A C -0.193 177.440 177.584 0.081 0.000 1.146 50 A CA -0.214 51.868 52.037 0.076 0.000 0.800 50 A CB 1.138 20.256 19.000 0.197 0.000 1.220 50 A HN 0.705 nan 8.150 nan 0.000 0.472 51 T N -1.119 113.558 114.554 0.204 0.000 2.724 51 T HA 0.795 5.146 4.350 0.001 0.000 0.274 51 T C -0.089 174.799 174.700 0.313 0.000 0.984 51 T CA -0.306 61.977 62.100 0.305 0.000 1.024 51 T CB 0.761 69.933 68.868 0.505 0.000 1.320 51 T HN 1.204 nan 8.240 nan 0.000 0.555 52 I N -2.819 117.927 120.570 0.292 0.000 2.892 52 I HA 0.573 4.744 4.170 0.001 0.000 0.306 52 I C -2.577 173.520 176.117 -0.032 0.000 1.078 52 I CA -3.352 57.954 61.300 0.010 0.000 1.032 52 I CB 2.234 40.292 38.000 0.097 0.000 1.229 52 I HN 0.268 nan 8.210 nan 0.000 0.435 53 P HA -0.134 nan 4.420 nan 0.000 0.219 53 P C 0.698 178.067 177.300 0.116 0.000 1.146 53 P CA 1.388 64.251 63.100 -0.394 0.000 0.808 53 P CB -0.211 30.852 31.700 -1.062 0.000 0.779 54 N N -0.366 118.451 118.700 0.195 0.000 2.571 54 N HA -0.091 4.650 4.740 0.001 0.000 0.189 54 N C 1.362 177.028 175.510 0.260 0.000 1.154 54 N CA 0.292 53.543 53.050 0.336 0.000 0.907 54 N CB -1.394 37.392 38.487 0.498 0.000 0.977 54 N HN 0.095 nan 8.380 nan 0.000 0.449 55 L N -0.060 121.336 121.223 0.288 0.000 2.042 55 L HA -0.152 4.188 4.340 0.001 0.000 0.210 55 L C 2.346 179.185 176.870 -0.052 0.000 1.076 55 L CA 1.833 56.652 54.840 -0.034 0.000 0.749 55 L CB -0.767 41.426 42.059 0.223 0.000 0.893 55 L HN 0.198 nan 8.230 nan 0.000 0.432 56 Q N -0.655 119.215 119.800 0.117 0.000 2.049 56 Q HA -0.138 4.202 4.340 0.001 0.000 0.198 56 Q C 2.200 178.286 176.000 0.143 0.000 0.971 56 Q CA 2.500 58.394 55.803 0.151 0.000 0.833 56 Q CB -0.482 28.418 28.738 0.270 0.000 0.896 56 Q HN 0.706 nan 8.270 nan 0.000 0.434 57 T N -2.910 111.739 114.554 0.158 0.000 2.978 57 T HA 0.221 4.572 4.350 0.001 0.000 0.262 57 T C 1.656 176.432 174.700 0.126 0.000 1.063 57 T CA 0.739 62.930 62.100 0.153 0.000 1.140 57 T CB -0.146 68.833 68.868 0.185 0.000 0.886 57 T HN 0.232 nan 8.240 nan 0.000 0.470 58 A N -0.830 122.034 122.820 0.072 0.000 2.115 58 A HA 0.544 4.864 4.320 0.001 0.000 0.211 58 A C 1.573 179.111 177.584 -0.076 0.000 1.169 58 A CA -0.005 52.014 52.037 -0.031 0.000 0.787 58 A CB -0.342 18.603 19.000 -0.092 0.000 0.858 58 A HN 0.470 nan 8.150 nan 0.000 0.474 59 F N -1.915 117.817 119.950 -0.364 0.000 2.444 59 F HA 0.321 4.848 4.527 0.001 0.000 0.263 59 F C 1.519 177.148 175.800 -0.285 0.000 0.912 59 F CA 0.183 57.927 58.000 -0.428 0.000 1.122 59 F CB -0.258 38.184 39.000 -0.930 0.000 1.246 59 F HN 0.095 nan 8.300 nan 0.000 0.752 60 F N 1.595 121.354 119.950 -0.319 0.000 2.171 60 F HA -0.134 4.394 4.527 0.001 0.000 0.300 60 F C 2.156 177.809 175.800 -0.246 0.000 1.090 60 F CA 1.563 59.323 58.000 -0.399 0.000 1.293 60 F CB -0.763 37.997 39.000 -0.400 0.000 1.013 60 F HN 0.045 nan 8.300 nan 0.000 0.486 61 D N -0.504 119.924 120.400 0.047 0.000 2.117 61 D HA -0.199 4.442 4.640 0.001 0.000 0.198 61 D C 2.088 178.374 176.300 -0.024 0.000 0.982 61 D CA 0.957 54.976 54.000 0.032 0.000 0.828 61 D CB -0.713 40.133 40.800 0.075 0.000 0.967 61 D HN 0.227 nan 8.370 nan 0.000 0.464 62 F N 1.276 121.118 119.950 -0.180 0.000 2.126 62 F HA -0.132 4.395 4.527 0.001 0.000 0.299 62 F C 1.970 177.594 175.800 -0.294 0.000 1.096 62 F CA 1.178 59.034 58.000 -0.240 0.000 1.255 62 F CB -0.180 38.639 39.000 -0.302 0.000 0.997 62 F HN -0.098 nan 8.300 nan 0.000 0.479 63 L N -0.035 120.996 121.223 -0.321 0.000 2.376 63 L HA 0.075 4.416 4.340 0.001 0.000 0.219 63 L C 1.661 178.399 176.870 -0.221 0.000 1.133 63 L CA 0.775 55.411 54.840 -0.340 0.000 0.816 63 L CB -1.213 40.546 42.059 -0.499 0.000 0.933 63 L HN 0.447 nan 8.230 nan 0.000 0.449 64 G N 1.261 109.955 108.800 -0.176 0.000 2.212 64 G HA2 -0.277 3.684 3.960 0.001 0.000 0.255 64 G HA3 -0.277 3.684 3.960 0.001 0.000 0.255 64 G C -0.079 174.788 174.900 -0.055 0.000 1.062 64 G CA -0.182 44.864 45.100 -0.091 0.000 0.815 64 G HN 0.312 nan 8.290 nan 0.000 0.497 65 I N 1.154 121.694 120.570 -0.050 0.000 2.354 65 I HA 0.299 4.470 4.170 0.001 0.000 0.286 65 I C -2.002 174.156 176.117 0.069 0.000 1.007 65 I CA -2.554 58.751 61.300 0.009 0.000 1.167 65 I CB 1.842 39.851 38.000 0.016 0.000 1.320 65 I HN -0.141 nan 8.210 nan 0.000 0.458 66 P HA -0.047 nan 4.420 nan 0.000 0.265 66 P C 0.782 178.090 177.300 0.014 0.000 1.187 66 P CA 0.097 63.220 63.100 0.038 0.000 0.766 66 P CB 0.746 32.451 31.700 0.009 0.000 0.820 67 E N 1.850 122.060 120.200 0.017 0.000 2.086 67 E HA -0.314 4.037 4.350 0.001 0.000 0.200 67 E C 0.847 177.129 176.600 -0.530 0.000 1.012 67 E CA 1.730 58.032 56.400 -0.163 0.000 0.812 67 E CB -0.114 29.634 29.700 0.080 0.000 0.743 67 E HN 0.390 nan 8.360 nan 0.000 0.453 68 D N 0.118 120.367 120.400 -0.253 0.000 2.144 68 D HA -0.177 4.463 4.640 0.001 0.000 0.199 68 D C 1.767 177.877 176.300 -0.317 0.000 0.984 68 D CA 1.075 54.918 54.000 -0.262 0.000 0.834 68 D CB -0.261 40.466 40.800 -0.121 0.000 0.955 68 D HN 0.373 nan 8.370 nan 0.000 0.465 69 E N 0.247 120.307 120.200 -0.233 0.000 2.038 69 E HA -0.153 4.197 4.350 0.001 0.000 0.195 69 E C 2.232 178.632 176.600 -0.334 0.000 1.000 69 E CA 1.301 57.602 56.400 -0.164 0.000 0.803 69 E CB -0.204 29.491 29.700 -0.008 0.000 0.750 69 E HN 0.498 nan 8.360 nan 0.000 0.448 70 W N 0.041 120.957 121.300 -0.641 0.000 2.418 70 W HA -0.053 4.607 4.660 0.001 0.000 0.292 70 W C 1.724 177.756 176.519 -0.812 0.000 1.213 70 W CA 0.220 56.874 57.345 -1.151 0.000 1.283 70 W CB -0.718 27.781 29.460 -1.602 0.000 1.119 70 W HN 0.069 nan 8.180 nan 0.000 0.542 71 M N 1.148 119.870 119.600 -1.464 0.000 2.108 71 M HA -0.175 4.306 4.480 0.001 0.000 0.261 71 M C 2.548 178.551 176.300 -0.495 0.000 1.066 71 M CA 1.954 56.563 55.300 -1.153 0.000 1.107 71 M CB -0.543 31.443 32.600 -1.023 0.000 1.356 71 M HN -0.054 nan 8.290 nan 0.000 0.406 72 R N -0.013 120.261 120.500 -0.375 0.000 2.081 72 R HA -0.126 4.215 4.340 0.001 0.000 0.235 72 R C 1.890 178.132 176.300 -0.097 0.000 1.131 72 R CA 1.259 57.267 56.100 -0.153 0.000 0.960 72 R CB -0.063 30.149 30.300 -0.146 0.000 0.856 72 R HN 0.433 nan 8.270 nan 0.000 0.436 73 E N -0.976 119.120 120.200 -0.173 0.000 2.371 73 E HA -0.081 4.270 4.350 0.001 0.000 0.194 73 E C 1.127 177.690 176.600 -0.063 0.000 1.012 73 E CA 0.591 56.944 56.400 -0.078 0.000 0.860 73 E CB 0.353 30.030 29.700 -0.038 0.000 0.811 73 E HN 0.384 nan 8.360 nan 0.000 0.502 74 C N 1.138 120.360 119.300 -0.130 0.000 2.974 74 C HA 0.175 4.636 4.460 0.001 0.000 0.282 74 C C 0.240 175.245 174.990 0.024 0.000 1.292 74 C CA -0.707 58.289 59.018 -0.037 0.000 1.710 74 C CB -0.996 26.703 27.740 -0.068 0.000 2.036 74 C HN 0.358 nan 8.230 nan 0.000 0.629 75 N N 1.235 119.927 118.700 -0.013 0.000 2.725 75 N HA -0.164 4.576 4.740 0.001 0.000 0.251 75 N C -0.050 175.481 175.510 0.034 0.000 1.031 75 N CA 1.117 54.164 53.050 -0.006 0.000 0.720 75 N CB -1.213 37.277 38.487 0.004 0.000 0.930 75 N HN 0.721 nan 8.380 nan 0.000 0.543 76 A N -0.764 122.059 122.820 0.005 0.000 2.322 76 A HA 0.673 4.994 4.320 0.001 0.000 0.269 76 A C 0.767 178.346 177.584 -0.008 0.000 1.094 76 A CA 0.160 52.246 52.037 0.083 0.000 0.807 76 A CB 1.066 20.080 19.000 0.023 0.000 1.047 76 A HN 0.302 nan 8.150 nan 0.000 0.487 77 S N -0.725 115.011 115.700 0.059 0.000 2.806 77 S HA 0.751 5.221 4.470 0.001 0.000 0.315 77 S C -1.360 173.132 174.600 -0.179 0.000 1.127 77 S CA -0.439 57.725 58.200 -0.059 0.000 0.918 77 S CB 0.486 63.756 63.200 0.117 0.000 1.240 77 S HN 0.463 nan 8.310 nan 0.000 0.552 78 Y N 1.438 121.722 120.300 -0.026 0.000 2.387 78 Y HA 0.525 5.076 4.550 0.002 0.000 0.336 78 Y C 0.320 176.020 175.900 -0.334 0.000 1.067 78 Y CA -0.547 57.407 58.100 -0.243 0.000 1.114 78 Y CB 1.199 39.431 38.460 -0.381 0.000 1.208 78 Y HN 0.500 nan 8.280 nan 0.000 0.458 79 K N 2.191 122.444 120.400 -0.245 0.000 2.394 79 K HA 0.520 4.841 4.320 0.001 0.000 0.260 79 K C -0.864 175.784 176.600 0.079 0.000 0.967 79 K CA -0.320 55.813 56.287 -0.257 0.000 0.855 79 K CB 1.172 33.391 32.500 -0.469 0.000 1.101 79 K HN 0.644 nan 8.250 nan 0.000 0.433 80 V N 2.248 122.212 119.914 0.083 0.000 3.565 80 V HA 0.300 4.421 4.120 0.001 0.000 0.260 80 V C 0.239 176.254 176.094 -0.132 0.000 1.231 80 V CA 0.768 63.120 62.300 0.086 0.000 1.100 80 V CB 0.404 32.231 31.823 0.007 0.000 0.807 80 V HN 0.849 nan 8.190 nan 0.000 0.454 81 A N -0.529 122.189 122.820 -0.171 0.000 2.566 81 A HA 0.711 5.032 4.320 0.001 0.000 0.290 81 A C -1.450 176.046 177.584 -0.148 0.000 1.071 81 A CA -0.550 51.286 52.037 -0.336 0.000 0.658 81 A CB 0.955 19.840 19.000 -0.191 0.000 1.285 81 A HN 0.069 nan 8.150 nan 0.000 0.427 82 I N 1.085 121.520 120.570 -0.225 0.000 2.353 82 I HA 0.359 4.529 4.170 0.001 0.000 0.293 82 I C 0.317 176.221 176.117 -0.355 0.000 0.992 82 I CA -0.358 60.788 61.300 -0.256 0.000 1.268 82 I CB 1.644 39.384 38.000 -0.432 0.000 1.387 82 I HN 0.613 nan 8.210 nan 0.000 0.478 83 K N 6.889 127.037 120.400 -0.421 0.000 2.281 83 K HA 0.406 4.727 4.320 0.001 0.000 0.272 83 K C -1.344 174.837 176.600 -0.699 0.000 1.048 83 K CA -0.489 55.403 56.287 -0.659 0.000 0.898 83 K CB 0.609 32.601 32.500 -0.847 0.000 1.128 83 K HN 0.317 nan 8.250 nan 0.000 0.460 84 F N 5.792 125.298 119.950 -0.740 0.000 2.404 84 F HA 0.344 4.871 4.527 0.001 0.000 0.358 84 F C 0.270 175.861 175.800 -0.348 0.000 1.120 84 F CA -0.544 57.002 58.000 -0.757 0.000 1.144 84 F CB 0.645 38.607 39.000 -1.730 0.000 1.133 84 F HN 0.245 nan 8.300 nan 0.000 0.495 85 I N 4.429 125.161 120.570 0.270 0.000 2.378 85 I HA 0.261 4.432 4.170 0.001 0.000 0.291 85 I C -0.192 176.119 176.117 0.323 0.000 0.992 85 I CA -0.709 60.739 61.300 0.246 0.000 1.154 85 I CB 1.240 39.321 38.000 0.135 0.000 1.315 85 I HN 0.604 nan 8.210 nan 0.000 0.448 86 N N 3.786 122.617 118.700 0.219 0.000 2.782 86 N HA -0.216 4.525 4.740 0.001 0.000 0.251 86 N C 0.091 175.592 175.510 -0.015 0.000 1.101 86 N CA 0.895 53.988 53.050 0.072 0.000 0.764 86 N CB -1.163 37.313 38.487 -0.018 0.000 1.122 86 N HN 0.725 nan 8.380 nan 0.000 0.561 87 W N 0.480 121.786 121.300 0.010 0.000 2.937 87 W HA 0.115 4.776 4.660 0.002 0.000 0.245 87 W C 1.872 178.287 176.519 -0.172 0.000 1.306 87 W CA 0.416 57.721 57.345 -0.067 0.000 1.470 87 W CB 0.089 29.611 29.460 0.103 0.000 1.132 87 W HN 0.138 nan 8.180 nan 0.000 0.675 88 R N -1.026 119.514 120.500 0.067 0.000 2.509 88 R HA 0.138 4.478 4.340 0.001 0.000 0.297 88 R C 0.353 176.607 176.300 -0.077 0.000 0.951 88 R CA 0.405 56.498 56.100 -0.011 0.000 1.103 88 R CB 0.411 30.739 30.300 0.047 0.000 1.283 88 R HN -0.090 nan 8.270 nan 0.000 0.534 89 T N -1.873 112.618 114.554 -0.105 0.000 2.893 89 T HA 0.734 5.085 4.350 0.001 0.000 0.291 89 T C -0.069 174.541 174.700 -0.151 0.000 1.028 89 T CA -0.969 61.072 62.100 -0.099 0.000 0.995 89 T CB 2.302 71.139 68.868 -0.052 0.000 1.051 89 T HN 0.063 nan 8.240 nan 0.000 0.470 90 A N 1.146 123.895 122.820 -0.118 0.000 2.407 90 A HA 0.841 5.162 4.320 0.001 0.000 0.248 90 A C 0.923 178.465 177.584 -0.069 0.000 1.082 90 A CA 0.342 52.317 52.037 -0.103 0.000 0.785 90 A CB -0.450 18.514 19.000 -0.061 0.000 1.020 90 A HN 2.022 nan 8.150 nan 0.000 0.489 91 G N 0.623 109.393 108.800 -0.050 0.000 2.359 91 G HA2 0.354 4.315 3.960 0.001 0.000 0.293 91 G HA3 0.354 4.315 3.960 0.001 0.000 0.293 91 G C -1.002 173.885 174.900 -0.023 0.000 1.300 91 G CA -0.863 44.217 45.100 -0.032 0.000 0.888 91 G HN 0.698 nan 8.290 nan 0.000 0.541 92 E N -0.492 119.688 120.200 -0.033 0.000 2.428 92 E HA 0.409 4.760 4.350 0.001 0.000 0.257 92 E C 0.951 177.499 176.600 -0.087 0.000 1.197 92 E CA 0.460 56.830 56.400 -0.049 0.000 0.974 92 E CB 0.470 30.134 29.700 -0.060 0.000 0.976 92 E HN 0.927 nan 8.360 nan 0.000 0.463 93 G N 0.414 109.133 108.800 -0.134 0.000 2.365 93 G HA2 0.291 4.251 3.960 0.001 0.000 0.293 93 G HA3 0.291 4.251 3.960 0.001 0.000 0.293 93 G C -0.189 174.554 174.900 -0.262 0.000 1.128 93 G CA 0.020 44.993 45.100 -0.212 0.000 0.971 93 G HN 0.248 nan 8.290 nan 0.000 0.422 94 T N -0.165 114.246 114.554 -0.238 0.000 2.903 94 T HA 0.464 4.815 4.350 0.001 0.000 0.299 94 T C 1.493 176.025 174.700 -0.280 0.000 1.093 94 T CA 0.176 62.117 62.100 -0.264 0.000 1.002 94 T CB 1.587 70.362 68.868 -0.154 0.000 1.127 94 T HN 0.580 nan 8.240 nan 0.000 0.488 95 S N 1.785 117.273 115.700 -0.353 0.000 2.446 95 S HA 0.116 4.587 4.470 0.001 0.000 0.225 95 S C 0.413 174.965 174.600 -0.079 0.000 1.016 95 S CA -0.015 58.009 58.200 -0.293 0.000 0.943 95 S CB -0.190 62.742 63.200 -0.446 0.000 0.786 95 S HN 0.757 nan 8.310 nan 0.000 0.508 96 E N 2.527 122.695 120.200 -0.053 0.000 2.344 96 E HA 0.466 4.817 4.350 0.001 0.000 0.270 96 E C -0.061 176.544 176.600 0.009 0.000 1.021 96 E CA 0.002 56.404 56.400 0.004 0.000 0.887 96 E CB 0.673 30.379 29.700 0.010 0.000 0.997 96 E HN 0.442 nan 8.360 nan 0.000 0.429 97 A N 4.849 127.696 122.820 0.045 0.000 2.520 97 A HA 0.088 4.409 4.320 0.001 0.000 0.245 97 A C 0.596 178.201 177.584 0.035 0.000 1.072 97 A CA -0.054 52.019 52.037 0.059 0.000 0.761 97 A CB 0.148 19.218 19.000 0.117 0.000 1.004 97 A HN 0.504 nan 8.150 nan 0.000 0.499 98 R N 0.936 121.447 120.500 0.019 0.000 2.726 98 R HA 0.192 4.533 4.340 0.001 0.000 0.272 98 R C 0.391 176.694 176.300 0.005 0.000 1.097 98 R CA -0.502 55.601 56.100 0.004 0.000 1.198 98 R CB 0.441 30.735 30.300 -0.011 0.000 1.114 98 R HN 0.818 nan 8.270 nan 0.000 0.550 99 E N 1.676 121.874 120.200 -0.004 0.000 2.283 99 E HA 0.160 4.510 4.350 0.001 0.000 0.278 99 E C -1.444 175.147 176.600 -0.015 0.000 1.027 99 E CA -0.450 55.944 56.400 -0.010 0.000 0.843 99 E CB 1.158 30.852 29.700 -0.009 0.000 1.062 99 E HN 0.199 nan 8.360 nan 0.000 0.401 100 L N 4.514 125.724 121.223 -0.023 0.000 2.476 100 L HA 0.267 4.608 4.340 0.001 0.000 0.269 100 L C -1.171 175.683 176.870 -0.028 0.000 0.965 100 L CA -0.234 54.593 54.840 -0.021 0.000 0.845 100 L CB 1.435 43.486 42.059 -0.013 0.000 1.259 100 L HN 0.540 nan 8.230 nan 0.000 0.403 101 D N 4.716 125.102 120.400 -0.023 0.000 2.704 101 D HA -0.191 4.450 4.640 0.001 0.000 0.232 101 D C 1.107 177.387 176.300 -0.033 0.000 1.183 101 D CA 1.629 55.614 54.000 -0.024 0.000 0.647 101 D CB -1.044 39.745 40.800 -0.019 0.000 1.013 101 D HN 1.331 nan 8.370 nan 0.000 0.415 102 G N -1.775 107.006 108.800 -0.032 0.000 2.176 102 G HA2 -0.052 3.909 3.960 0.001 0.000 0.253 102 G HA3 -0.052 3.909 3.960 0.001 0.000 0.253 102 G C 0.553 175.426 174.900 -0.045 0.000 0.979 102 G CA 0.416 45.496 45.100 -0.034 0.000 0.641 102 G HN 1.168 nan 8.290 nan 0.000 0.530 103 G N -1.082 107.683 108.800 -0.057 0.000 2.721 103 G HA2 0.780 4.741 3.960 0.001 0.000 0.296 103 G HA3 0.780 4.741 3.960 0.001 0.000 0.296 103 G C -3.217 171.637 174.900 -0.077 0.000 1.383 103 G CA -0.538 44.517 45.100 -0.075 0.000 0.788 103 G HN 0.183 nan 8.290 nan 0.000 0.500 104 P HA 0.165 nan 4.420 nan 0.000 0.268 104 P C -0.682 176.541 177.300 -0.127 0.000 1.205 104 P CA -0.131 62.940 63.100 -0.049 0.000 0.771 104 P CB 0.810 32.560 31.700 0.084 0.000 0.858 105 D N 2.939 123.327 120.400 -0.020 0.000 2.545 105 D HA 0.001 4.642 4.640 0.001 0.000 0.227 105 D C -0.166 176.190 176.300 0.093 0.000 1.150 105 D CA 0.213 54.227 54.000 0.024 0.000 1.046 105 D CB -0.780 40.053 40.800 0.055 0.000 1.098 105 D HN 0.440 nan 8.370 nan 0.000 0.502 106 H N 0.146 119.258 119.070 0.070 0.000 2.980 106 H HA 0.588 5.145 4.556 0.001 0.000 0.367 106 H C -1.169 174.210 175.328 0.085 0.000 1.206 106 H CA -1.093 54.934 56.048 -0.035 0.000 1.126 106 H CB 0.973 30.599 29.762 -0.226 0.000 1.838 106 H HN 0.107 nan 8.280 nan 0.000 0.552 107 F N -0.690 119.294 119.950 0.055 0.000 2.645 107 F HA 0.613 5.141 4.527 0.001 0.000 0.310 107 F C -2.233 173.496 175.800 -0.118 0.000 1.102 107 F CA -1.308 56.705 58.000 0.022 0.000 0.952 107 F CB 1.232 40.247 39.000 0.024 0.000 1.326 107 F HN 0.378 nan 8.300 nan 0.000 0.456 108 Y N 0.362 120.777 120.300 0.192 0.000 2.387 108 Y HA 0.394 4.945 4.550 0.002 0.000 0.336 108 Y C -0.384 175.583 175.900 0.112 0.000 1.067 108 Y CA -0.730 57.359 58.100 -0.018 0.000 1.114 108 Y CB 1.358 39.687 38.460 -0.219 0.000 1.208 108 Y HN 0.798 nan 8.280 nan 0.000 0.458 109 H N 2.266 121.423 119.070 0.144 0.000 2.673 109 H HA 0.468 5.025 4.556 0.001 0.000 0.293 109 H C -0.608 174.592 175.328 -0.213 0.000 1.065 109 H CA -0.545 55.521 56.048 0.029 0.000 1.236 109 H CB 0.661 30.557 29.762 0.223 0.000 1.389 109 H HN 0.774 nan 8.280 nan 0.000 0.481 110 S N 3.202 118.753 115.700 -0.248 0.000 2.767 110 S HA 0.223 4.694 4.470 0.001 0.000 0.300 110 S C 0.260 174.628 174.600 -0.387 0.000 1.123 110 S CA -0.766 57.157 58.200 -0.461 0.000 0.992 110 S CB 0.809 63.764 63.200 -0.409 0.000 1.138 110 S HN 0.461 nan 8.310 nan 0.000 0.550 111 F N 1.029 120.949 119.950 -0.050 0.000 2.797 111 F HA 0.340 4.868 4.527 0.001 0.000 0.302 111 F C 1.889 177.806 175.800 0.195 0.000 1.130 111 F CA -0.238 57.796 58.000 0.056 0.000 1.387 111 F CB -0.949 37.991 39.000 -0.099 0.000 1.107 111 F HN 0.794 nan 8.300 nan 0.000 0.577 112 G N 1.438 110.431 108.800 0.323 0.000 2.562 112 G HA2 0.235 4.196 3.960 0.001 0.000 0.233 112 G HA3 0.235 4.196 3.960 0.001 0.000 0.233 112 G C -0.018 175.079 174.900 0.329 0.000 1.266 112 G CA -0.522 44.788 45.100 0.350 0.000 0.852 112 G HN 0.207 nan 8.290 nan 0.000 0.581 113 L N 0.482 121.784 121.223 0.131 0.000 2.371 113 L HA 0.387 4.728 4.340 0.001 0.000 0.272 113 L C 0.123 176.890 176.870 -0.172 0.000 1.124 113 L CA -1.030 53.800 54.840 -0.016 0.000 0.816 113 L CB 0.854 42.887 42.059 -0.044 0.000 1.129 113 L HN 0.267 nan 8.230 nan 0.000 0.448 114 L N 4.401 125.484 121.223 -0.235 0.000 2.260 114 L HA 0.277 4.617 4.340 0.001 0.000 0.289 114 L C 0.183 176.840 176.870 -0.354 0.000 1.057 114 L CA -0.225 54.386 54.840 -0.381 0.000 0.811 114 L CB 0.393 42.278 42.059 -0.291 0.000 1.184 114 L HN 0.495 nan 8.230 nan 0.000 0.429 115 K N 3.936 124.150 120.400 -0.311 0.000 2.319 115 K HA 0.090 4.411 4.320 0.001 0.000 0.265 115 K C -0.863 175.594 176.600 -0.239 0.000 1.000 115 K CA -0.138 56.026 56.287 -0.205 0.000 0.943 115 K CB 0.207 32.613 32.500 -0.157 0.000 0.950 115 K HN 0.358 nan 8.250 nan 0.000 0.485 116 Y N 0.072 120.331 120.300 -0.068 0.000 2.320 116 Y HA 0.153 4.704 4.550 0.002 0.000 0.324 116 Y C 0.227 176.136 175.900 0.015 0.000 1.190 116 Y CA -0.195 57.894 58.100 -0.018 0.000 1.215 116 Y CB 1.119 39.563 38.460 -0.026 0.000 1.221 116 Y HN 0.670 nan 8.280 nan 0.000 0.486 117 H N 2.746 121.871 119.070 0.092 0.000 2.658 117 H HA 0.281 4.838 4.556 0.001 0.000 0.337 117 H C -0.657 174.733 175.328 0.104 0.000 1.009 117 H CA -1.051 54.965 56.048 -0.053 0.000 1.231 117 H CB 0.741 30.250 29.762 -0.422 0.000 1.508 117 H HN 0.635 nan 8.280 nan 0.000 0.517 118 E N 5.127 125.169 120.200 -0.263 0.000 2.269 118 E HA -0.282 4.069 4.350 0.001 0.000 0.223 118 E C -0.137 176.462 176.600 -0.002 0.000 1.244 118 E CA 1.047 57.343 56.400 -0.173 0.000 0.713 118 E CB -1.006 28.549 29.700 -0.243 0.000 1.178 118 E HN 0.897 nan 8.360 nan 0.000 0.370 119 Q N -3.418 116.398 119.800 0.027 0.000 2.342 119 Q HA -0.211 4.130 4.340 0.001 0.000 0.196 119 Q C 0.317 176.427 176.000 0.183 0.000 0.629 119 Q CA 1.620 57.422 55.803 -0.002 0.000 1.365 119 Q CB -1.486 27.218 28.738 -0.057 0.000 1.406 119 Q HN 0.604 nan 8.270 nan 0.000 0.840 120 I N 1.608 122.360 120.570 0.303 0.000 2.474 120 I HA 0.322 4.493 4.170 0.001 0.000 0.294 120 I C -2.245 173.999 176.117 0.212 0.000 1.005 120 I CA -2.313 59.113 61.300 0.211 0.000 1.113 120 I CB 2.009 40.037 38.000 0.047 0.000 1.289 120 I HN -0.265 nan 8.210 nan 0.000 0.436 121 P HA 0.013 nan 4.420 nan 0.000 0.268 121 P C 0.568 177.848 177.300 -0.033 0.000 1.205 121 P CA -0.333 62.532 63.100 -0.391 0.000 0.771 121 P CB 0.690 32.079 31.700 -0.517 0.000 0.858 122 L N 3.628 124.831 121.223 -0.033 0.000 2.189 122 L HA -0.245 4.096 4.340 0.001 0.000 0.214 122 L C 2.111 179.180 176.870 0.332 0.000 1.097 122 L CA 2.299 57.203 54.840 0.108 0.000 0.764 122 L CB -1.444 40.502 42.059 -0.188 0.000 0.900 122 L HN 0.416 nan 8.230 nan 0.000 0.436 123 S N -1.990 113.824 115.700 0.190 0.000 2.387 123 S HA -0.279 4.191 4.470 0.001 0.000 0.230 123 S C 1.902 176.686 174.600 0.305 0.000 1.035 123 S CA 1.558 59.847 58.200 0.149 0.000 1.014 123 S CB -0.868 61.870 63.200 -0.770 0.000 0.836 123 S HN 0.594 nan 8.310 nan 0.000 0.466 124 H N 0.023 119.113 119.070 0.034 0.000 2.436 124 H HA 0.215 4.772 4.556 0.002 0.000 0.294 124 H C 1.623 177.000 175.328 0.083 0.000 1.048 124 H CA 1.098 57.166 56.048 0.033 0.000 1.353 124 H CB -0.562 29.122 29.762 -0.130 0.000 1.414 124 H HN 0.551 nan 8.280 nan 0.000 0.536 125 Y N -1.538 118.990 120.300 0.381 0.000 2.220 125 Y HA -0.182 4.370 4.550 0.002 0.000 0.291 125 Y C 2.340 178.492 175.900 0.421 0.000 1.129 125 Y CA 0.859 59.178 58.100 0.364 0.000 1.161 125 Y CB -0.593 38.096 38.460 0.382 0.000 0.997 125 Y HN 0.254 nan 8.280 nan 0.000 0.522 126 W N 0.374 122.040 121.300 0.609 0.000 2.317 126 W HA -0.348 4.312 4.660 0.001 0.000 0.318 126 W C 2.182 178.865 176.519 0.272 0.000 1.227 126 W CA 2.042 59.628 57.345 0.401 0.000 1.269 126 W CB -0.955 28.812 29.460 0.513 0.000 1.155 126 W HN 0.119 nan 8.180 nan 0.000 0.484 127 F N 1.827 121.811 119.950 0.056 0.000 2.186 127 F HA -0.126 4.402 4.527 0.001 0.000 0.299 127 F C 2.147 177.781 175.800 -0.276 0.000 1.090 127 F CA 2.361 60.127 58.000 -0.390 0.000 1.307 127 F CB -1.185 37.801 39.000 -0.024 0.000 1.019 127 F HN 0.001 nan 8.300 nan 0.000 0.489 128 D N -0.010 120.226 120.400 -0.274 0.000 2.133 128 D HA -0.246 4.394 4.640 0.001 0.000 0.192 128 D C 2.249 178.366 176.300 -0.305 0.000 1.001 128 D CA 1.968 55.787 54.000 -0.300 0.000 0.844 128 D CB -0.090 40.652 40.800 -0.095 0.000 0.944 128 D HN 0.315 nan 8.370 nan 0.000 0.447 129 R N -0.292 120.051 120.500 -0.262 0.000 2.090 129 R HA 0.037 4.378 4.340 0.001 0.000 0.228 129 R C 2.556 178.637 176.300 -0.365 0.000 1.110 129 R CA 0.991 56.939 56.100 -0.254 0.000 0.973 129 R CB -0.398 29.765 30.300 -0.229 0.000 0.869 129 R HN 0.055 nan 8.270 nan 0.000 0.440 130 S N 0.261 115.613 115.700 -0.581 0.000 2.348 130 S HA -0.214 4.257 4.470 0.001 0.000 0.221 130 S C 1.775 176.091 174.600 -0.475 0.000 1.033 130 S CA 1.187 59.031 58.200 -0.593 0.000 1.010 130 S CB -0.322 62.310 63.200 -0.946 0.000 0.891 130 S HN 0.440 nan 8.310 nan 0.000 0.442 131 Y N 1.826 121.633 120.300 -0.821 0.000 2.207 131 Y HA -0.050 4.501 4.550 0.001 0.000 0.287 131 Y C 2.025 177.685 175.900 -0.400 0.000 1.156 131 Y CA 1.727 59.407 58.100 -0.699 0.000 1.182 131 Y CB -0.018 37.791 38.460 -1.085 0.000 0.979 131 Y HN 0.199 nan 8.280 nan 0.000 0.521 132 R N -0.361 119.998 120.500 -0.235 0.000 2.388 132 R HA 0.212 4.553 4.340 0.001 0.000 0.247 132 R C 1.177 177.356 176.300 -0.202 0.000 0.931 132 R CA 0.514 56.498 56.100 -0.193 0.000 1.082 132 R CB 0.051 30.299 30.300 -0.087 0.000 1.135 132 R HN 0.471 nan 8.270 nan 0.000 0.525 133 G N 1.808 110.469 108.800 -0.232 0.000 2.160 133 G HA2 -0.287 3.674 3.960 0.001 0.000 0.251 133 G HA3 -0.287 3.674 3.960 0.001 0.000 0.251 133 G C 0.766 175.579 174.900 -0.145 0.000 1.008 133 G CA 0.207 45.198 45.100 -0.182 0.000 0.724 133 G HN 0.219 nan 8.290 nan 0.000 0.514 134 K N -0.571 119.736 120.400 -0.155 0.000 2.426 134 K HA 0.158 4.478 4.320 0.001 0.000 0.193 134 K C 0.919 177.438 176.600 -0.135 0.000 1.028 134 K CA 0.977 57.188 56.287 -0.127 0.000 1.047 134 K CB 0.642 33.072 32.500 -0.116 0.000 0.821 134 K HN 0.452 nan 8.250 nan 0.000 0.513 135 T N -0.497 113.961 114.554 -0.161 0.000 2.894 135 T HA 0.303 4.654 4.350 0.001 0.000 0.309 135 T C -0.112 174.530 174.700 -0.097 0.000 1.208 135 T CA -0.652 61.372 62.100 -0.127 0.000 1.016 135 T CB 1.734 70.508 68.868 -0.157 0.000 1.192 135 T HN -0.123 nan 8.240 nan 0.000 0.491 136 V N 0.413 120.308 119.914 -0.031 0.000 3.346 136 V HA 0.537 4.658 4.120 0.001 0.000 0.309 136 V C 0.584 176.734 176.094 0.093 0.000 1.457 136 V CA -0.272 62.035 62.300 0.010 0.000 1.069 136 V CB -0.122 31.694 31.823 -0.011 0.000 0.944 136 V HN 0.848 nan 8.190 nan 0.000 0.449 137 E N 2.541 122.819 120.200 0.131 0.000 2.384 137 E HA 0.231 4.582 4.350 0.001 0.000 0.266 137 E C -2.259 174.590 176.600 0.415 0.000 1.012 137 E CA -1.667 54.854 56.400 0.201 0.000 0.901 137 E CB 0.865 30.669 29.700 0.174 0.000 0.967 137 E HN 0.334 nan 8.360 nan 0.000 0.435 138 P HA -0.067 nan 4.420 nan 0.000 0.269 138 P C 0.086 177.501 177.300 0.191 0.000 1.215 138 P CA -0.001 63.302 63.100 0.339 0.000 0.780 138 P CB 0.336 32.193 31.700 0.262 0.000 0.898 139 F N 3.104 122.834 119.950 -0.366 0.000 2.091 139 F HA -0.283 4.245 4.527 0.001 0.000 0.299 139 F C 1.718 177.298 175.800 -0.366 0.000 1.103 139 F CA 2.422 59.722 58.000 -1.166 0.000 1.228 139 F CB -0.582 37.604 39.000 -1.355 0.000 0.984 139 F HN 0.320 nan 8.300 nan 0.000 0.477 140 D N -0.821 119.386 120.400 -0.321 0.000 2.117 140 D HA -0.265 4.376 4.640 0.001 0.000 0.198 140 D C 2.044 178.242 176.300 -0.170 0.000 0.982 140 D CA 1.663 55.490 54.000 -0.288 0.000 0.828 140 D CB -1.538 39.230 40.800 -0.053 0.000 0.967 140 D HN 0.439 nan 8.370 nan 0.000 0.464 141 Y N 1.295 121.575 120.300 -0.033 0.000 2.293 141 Y HA 0.090 4.641 4.550 0.001 0.000 0.291 141 Y C 2.866 178.773 175.900 0.011 0.000 1.137 141 Y CA 1.126 59.240 58.100 0.023 0.000 1.202 141 Y CB -0.435 38.067 38.460 0.069 0.000 0.990 141 Y HN 0.107 nan 8.280 nan 0.000 0.537 142 A N -1.719 121.163 122.820 0.103 0.000 1.930 142 A HA -0.116 4.205 4.320 0.001 0.000 0.215 142 A C 1.989 179.669 177.584 0.160 0.000 1.176 142 A CA 1.605 53.738 52.037 0.160 0.000 0.632 142 A CB -1.026 18.105 19.000 0.218 0.000 0.819 142 A HN 0.521 nan 8.150 nan 0.000 0.445 143 C N -2.635 116.588 119.300 -0.129 0.000 2.912 143 C HA 0.400 4.861 4.460 0.001 0.000 0.274 143 C C -0.030 174.679 174.990 -0.469 0.000 1.248 143 C CA -0.485 58.351 59.018 -0.303 0.000 1.694 143 C CB -1.245 26.127 27.740 -0.614 0.000 2.024 143 C HN 0.506 nan 8.230 nan 0.000 0.605 144 Y N 1.058 121.201 120.300 -0.263 0.000 2.425 144 Y HA 0.275 4.826 4.550 0.002 0.000 0.344 144 Y C 1.262 177.051 175.900 -0.185 0.000 0.969 144 Y CA -0.886 57.082 58.100 -0.220 0.000 1.052 144 Y CB 1.112 39.416 38.460 -0.260 0.000 1.215 144 Y HN 0.051 nan 8.280 nan 0.000 0.451 145 K N -0.013 120.385 120.400 -0.004 0.000 2.211 145 K HA -0.138 4.183 4.320 0.001 0.000 0.203 145 K C 0.649 177.191 176.600 -0.097 0.000 1.050 145 K CA 1.842 58.105 56.287 -0.039 0.000 0.945 145 K CB 0.116 32.595 32.500 -0.035 0.000 0.732 145 K HN 0.603 nan 8.250 nan 0.000 0.451 146 E N 1.713 121.842 120.200 -0.119 0.000 2.049 146 E HA -0.137 4.214 4.350 0.001 0.000 0.198 146 E C -0.827 175.506 176.600 -0.444 0.000 1.007 146 E CA 1.731 57.983 56.400 -0.245 0.000 0.809 146 E CB -1.284 28.263 29.700 -0.256 0.000 0.749 146 E HN 0.344 nan 8.360 nan 0.000 0.450 147 P HA -0.188 nan 4.420 nan 0.000 0.216 147 P C 1.316 178.355 177.300 -0.434 0.000 1.154 147 P CA 1.128 63.689 63.100 -0.898 0.000 0.865 147 P CB 0.060 31.017 31.700 -1.239 0.000 0.789 148 V N 0.097 119.887 119.914 -0.207 0.000 2.343 148 V HA -0.218 3.903 4.120 0.001 0.000 0.247 148 V C 2.341 178.430 176.094 -0.008 0.000 1.051 148 V CA 1.987 64.305 62.300 0.031 0.000 1.036 148 V CB -1.311 30.562 31.823 0.084 0.000 0.654 148 V HN 0.137 nan 8.190 nan 0.000 0.451 149 I N -2.458 118.065 120.570 -0.078 0.000 2.761 149 I HA -0.066 4.105 4.170 0.001 0.000 0.261 149 I C 2.086 178.171 176.117 -0.052 0.000 1.198 149 I CA 1.373 62.641 61.300 -0.054 0.000 1.482 149 I CB -0.431 37.529 38.000 -0.066 0.000 1.100 149 I HN 0.142 nan 8.210 nan 0.000 0.445 150 L N 0.962 122.094 121.223 -0.152 0.000 2.156 150 L HA -0.072 4.268 4.340 0.001 0.000 0.208 150 L C 2.016 178.943 176.870 0.095 0.000 1.095 150 L CA 0.884 55.675 54.840 -0.082 0.000 0.770 150 L CB -0.759 41.009 42.059 -0.486 0.000 0.914 150 L HN 0.211 nan 8.230 nan 0.000 0.439 151 D N 0.784 121.223 120.400 0.064 0.000 2.178 151 D HA -0.134 4.507 4.640 0.001 0.000 0.201 151 D C 1.841 178.236 176.300 0.158 0.000 0.980 151 D CA 1.451 55.554 54.000 0.172 0.000 0.842 151 D CB 0.129 41.072 40.800 0.238 0.000 0.948 151 D HN 0.305 nan 8.370 nan 0.000 0.472 152 A N 0.052 122.940 122.820 0.115 0.000 2.379 152 A HA 0.092 4.413 4.320 0.001 0.000 0.236 152 A C 0.286 177.926 177.584 0.094 0.000 1.272 152 A CA -0.193 51.903 52.037 0.098 0.000 0.886 152 A CB -0.093 18.949 19.000 0.071 0.000 0.962 152 A HN 0.018 nan 8.150 nan 0.000 0.504 153 N N 0.285 119.060 118.700 0.125 0.000 2.735 153 N HA -0.122 4.619 4.740 0.001 0.000 0.248 153 N C -0.432 175.109 175.510 0.053 0.000 1.083 153 N CA 0.729 53.839 53.050 0.100 0.000 0.703 153 N CB -0.894 37.640 38.487 0.079 0.000 1.005 153 N HN 0.483 nan 8.380 nan 0.000 0.550 154 R N 0.254 120.771 120.500 0.028 0.000 2.641 154 R HA 0.229 4.570 4.340 0.001 0.000 0.269 154 R C 0.956 177.218 176.300 -0.063 0.000 1.074 154 R CA -0.213 55.880 56.100 -0.013 0.000 1.133 154 R CB 0.523 30.804 30.300 -0.031 0.000 1.029 154 R HN 0.233 nan 8.270 nan 0.000 0.488 155 S N 2.054 117.691 115.700 -0.104 0.000 2.576 155 S HA 0.175 4.646 4.470 0.001 0.000 0.276 155 S C -1.424 172.962 174.600 -0.356 0.000 1.339 155 S CA -1.271 56.778 58.200 -0.252 0.000 1.039 155 S CB 0.607 63.636 63.200 -0.284 0.000 0.902 155 S HN 0.385 nan 8.310 nan 0.000 0.516 156 P HA 0.127 nan 4.420 nan 0.000 0.249 156 P C -0.326 176.645 177.300 -0.548 0.000 1.229 156 P CA 0.314 63.128 63.100 -0.476 0.000 0.788 156 P CB 0.173 31.552 31.700 -0.535 0.000 1.072 157 R N -0.006 120.012 120.500 -0.804 0.000 2.686 157 R HA 0.455 4.795 4.340 0.001 0.000 0.286 157 R C 0.391 176.393 176.300 -0.496 0.000 0.969 157 R CA -0.889 54.780 56.100 -0.719 0.000 0.898 157 R CB 2.214 31.850 30.300 -1.107 0.000 1.183 157 R HN -0.040 nan 8.270 nan 0.000 0.456 158 R N 1.327 121.702 120.500 -0.208 0.000 2.707 158 R HA 0.107 4.447 4.340 0.001 0.000 0.270 158 R C 1.455 177.825 176.300 0.117 0.000 1.083 158 R CA -0.245 55.828 56.100 -0.046 0.000 1.182 158 R CB 0.484 30.773 30.300 -0.019 0.000 1.084 158 R HN 0.518 nan 8.270 nan 0.000 0.528 159 L N 1.083 122.393 121.223 0.145 0.000 2.127 159 L HA -0.234 4.106 4.340 0.001 0.000 0.211 159 L C 1.636 178.583 176.870 0.129 0.000 1.089 159 L CA 1.494 56.439 54.840 0.176 0.000 0.757 159 L CB -0.606 41.500 42.059 0.078 0.000 0.899 159 L HN 0.746 nan 8.230 nan 0.000 0.434 160 D N -0.717 119.735 120.400 0.086 0.000 2.363 160 D HA -0.004 4.636 4.640 0.001 0.000 0.226 160 D C 1.461 177.812 176.300 0.084 0.000 1.020 160 D CA 0.901 54.938 54.000 0.061 0.000 0.892 160 D CB 0.124 40.945 40.800 0.034 0.000 0.900 160 D HN 0.327 nan 8.370 nan 0.000 0.531 161 G N -0.179 108.709 108.800 0.145 0.000 2.213 161 G HA2 -0.267 3.694 3.960 0.001 0.000 0.226 161 G HA3 -0.267 3.694 3.960 0.001 0.000 0.226 161 G C 0.369 175.302 174.900 0.054 0.000 0.992 161 G CA 0.206 45.400 45.100 0.157 0.000 0.632 161 G HN 0.879 nan 8.290 nan 0.000 0.511 162 S N 0.360 116.071 115.700 0.019 0.000 2.531 162 S HA 0.516 4.987 4.470 0.001 0.000 0.279 162 S C 0.156 174.726 174.600 -0.050 0.000 1.305 162 S CA 0.332 58.530 58.200 -0.003 0.000 1.058 162 S CB 1.820 65.021 63.200 0.001 0.000 0.899 162 S HN 0.676 nan 8.310 nan 0.000 0.493 163 K N 2.163 122.549 120.400 -0.025 0.000 2.297 163 K HA 0.329 4.650 4.320 0.001 0.000 0.286 163 K C 0.709 177.291 176.600 -0.029 0.000 1.053 163 K CA -0.479 55.791 56.287 -0.029 0.000 0.940 163 K CB 0.833 33.367 32.500 0.056 0.000 1.019 163 K HN 0.700 nan 8.250 nan 0.000 0.475 164 V N 0.120 120.000 119.914 -0.058 0.000 3.643 164 V HA 0.232 4.353 4.120 0.001 0.000 0.280 164 V C 0.234 176.316 176.094 -0.019 0.000 1.351 164 V CA 0.349 62.625 62.300 -0.041 0.000 1.073 164 V CB 0.513 32.299 31.823 -0.061 0.000 0.863 164 V HN 0.755 nan 8.190 nan 0.000 0.436 165 T N 0.711 115.265 114.554 -0.001 0.000 2.840 165 T HA 0.373 4.724 4.350 0.001 0.000 0.317 165 T C -1.114 173.626 174.700 0.067 0.000 1.401 165 T CA -0.560 61.557 62.100 0.029 0.000 1.028 165 T CB 1.511 70.382 68.868 0.005 0.000 1.317 165 T HN 0.500 nan 8.240 nan 0.000 0.495 166 N N 2.110 120.842 118.700 0.054 0.000 2.492 166 N HA 0.468 5.209 4.740 0.001 0.000 0.262 166 N C -0.927 174.578 175.510 -0.008 0.000 1.202 166 N CA 0.045 53.060 53.050 -0.058 0.000 0.926 166 N CB 0.297 38.768 38.487 -0.026 0.000 1.078 166 N HN 0.595 nan 8.380 nan 0.000 0.454 167 Y N -0.682 119.440 120.300 -0.297 0.000 2.644 167 Y HA 0.847 5.398 4.550 0.001 0.000 0.338 167 Y C -0.842 174.577 175.900 -0.802 0.000 1.119 167 Y CA -1.247 56.645 58.100 -0.348 0.000 1.060 167 Y CB 0.775 39.038 38.460 -0.328 0.000 1.294 167 Y HN 0.473 nan 8.280 nan 0.000 0.472 168 A N 0.362 122.836 122.820 -0.578 0.000 3.423 168 A HA 0.840 5.161 4.320 0.001 0.000 0.226 168 A C -1.806 175.300 177.584 -0.797 0.000 1.055 168 A CA -0.856 50.511 52.037 -1.116 0.000 0.786 168 A CB 0.930 19.675 19.000 -0.424 0.000 1.400 168 A HN 0.781 nan 8.150 nan 0.000 0.673 169 W N -0.634 120.810 121.300 0.240 0.000 2.950 169 W HA 0.529 5.189 4.660 0.001 0.000 0.340 169 W C -1.162 175.395 176.519 0.064 0.000 1.139 169 W CA -0.223 57.263 57.345 0.234 0.000 1.188 169 W CB 1.014 30.850 29.460 0.626 0.000 1.426 169 W HN 0.738 nan 8.180 nan 0.000 0.531 170 H N 1.328 120.592 119.070 0.324 0.000 2.466 170 H HA 0.514 5.071 4.556 0.002 0.000 0.338 170 H C -0.675 174.777 175.328 0.206 0.000 1.091 170 H CA -0.491 55.614 56.048 0.096 0.000 1.207 170 H CB 1.677 31.486 29.762 0.078 0.000 1.466 170 H HN 0.241 nan 8.280 nan 0.000 0.493 171 F N -1.011 119.133 119.950 0.324 0.000 2.741 171 F HA 0.232 4.760 4.527 0.001 0.000 0.311 171 F C -1.257 174.637 175.800 0.157 0.000 1.149 171 F CA -1.491 56.646 58.000 0.228 0.000 0.930 171 F CB 0.716 39.881 39.000 0.275 0.000 1.312 171 F HN 0.264 nan 8.300 nan 0.000 0.450 172 D N 1.420 122.070 120.400 0.416 0.000 2.339 172 D HA 0.403 5.044 4.640 0.001 0.000 0.256 172 D C 1.133 177.668 176.300 0.392 0.000 1.214 172 D CA 0.605 54.766 54.000 0.268 0.000 0.877 172 D CB 1.744 42.655 40.800 0.185 0.000 1.111 172 D HN 0.861 nan 8.370 nan 0.000 0.478 173 A N 5.106 128.086 122.820 0.266 0.000 1.948 173 A HA -0.251 4.069 4.320 0.001 0.000 0.220 173 A C 1.747 179.462 177.584 0.217 0.000 1.177 173 A CA 1.364 53.584 52.037 0.305 0.000 0.636 173 A CB -0.641 18.444 19.000 0.143 0.000 0.815 173 A HN 0.744 nan 8.150 nan 0.000 0.449 174 H N -0.052 119.157 119.070 0.232 0.000 2.387 174 H HA -0.052 4.505 4.556 0.001 0.000 0.299 174 H C 2.043 177.467 175.328 0.160 0.000 1.090 174 H CA 1.492 57.646 56.048 0.177 0.000 1.332 174 H CB -0.598 29.252 29.762 0.146 0.000 1.386 174 H HN 0.467 nan 8.280 nan 0.000 0.516 175 L N -0.161 121.222 121.223 0.266 0.000 2.056 175 L HA -0.124 4.217 4.340 0.001 0.000 0.207 175 L C 2.625 179.602 176.870 0.178 0.000 1.078 175 L CA 0.686 55.643 54.840 0.195 0.000 0.749 175 L CB -0.477 41.679 42.059 0.160 0.000 0.901 175 L HN 0.073 nan 8.230 nan 0.000 0.433 176 V N 0.317 120.309 119.914 0.131 0.000 2.343 176 V HA -0.288 3.832 4.120 0.001 0.000 0.247 176 V C 2.809 179.034 176.094 0.218 0.000 1.051 176 V CA 1.817 64.171 62.300 0.089 0.000 1.036 176 V CB -0.894 30.814 31.823 -0.191 0.000 0.654 176 V HN 0.476 nan 8.190 nan 0.000 0.451 177 A N -0.184 122.770 122.820 0.222 0.000 1.908 177 A HA -0.304 4.017 4.320 0.001 0.000 0.218 177 A C 1.974 179.617 177.584 0.098 0.000 1.181 177 A CA 2.338 54.516 52.037 0.235 0.000 0.627 177 A CB -0.715 18.463 19.000 0.296 0.000 0.818 177 A HN 0.557 nan 8.150 nan 0.000 0.445 178 D N -1.518 118.943 120.400 0.103 0.000 2.097 178 D HA -0.116 4.525 4.640 0.001 0.000 0.195 178 D C 1.578 177.875 176.300 -0.005 0.000 0.989 178 D CA 1.403 55.403 54.000 0.001 0.000 0.827 178 D CB -0.264 40.578 40.800 0.070 0.000 0.966 178 D HN 0.436 nan 8.370 nan 0.000 0.456 179 F N 0.904 120.847 119.950 -0.012 0.000 2.069 179 F HA -0.166 4.362 4.527 0.001 0.000 0.298 179 F C 1.866 177.691 175.800 0.042 0.000 1.113 179 F CA 1.376 59.390 58.000 0.023 0.000 1.214 179 F CB -0.311 38.726 39.000 0.062 0.000 0.978 179 F HN -0.052 nan 8.300 nan 0.000 0.474 180 L N 0.001 121.286 121.223 0.104 0.000 2.083 180 L HA -0.202 4.139 4.340 0.001 0.000 0.209 180 L C 2.733 179.538 176.870 -0.109 0.000 1.083 180 L CA 1.597 56.495 54.840 0.096 0.000 0.752 180 L CB -0.779 41.475 42.059 0.326 0.000 0.899 180 L HN 0.144 nan 8.230 nan 0.000 0.433 181 R N 0.591 120.774 120.500 -0.529 0.000 2.083 181 R HA -0.186 4.155 4.340 0.001 0.000 0.237 181 R C 2.474 178.345 176.300 -0.714 0.000 1.137 181 R CA 1.566 56.876 56.100 -1.318 0.000 0.951 181 R CB -0.100 29.140 30.300 -1.767 0.000 0.851 181 R HN 0.300 nan 8.270 nan 0.000 0.434 182 R N -0.640 119.595 120.500 -0.441 0.000 2.081 182 R HA -0.168 4.173 4.340 0.001 0.000 0.235 182 R C 2.261 178.412 176.300 -0.248 0.000 1.131 182 R CA 1.719 57.640 56.100 -0.298 0.000 0.960 182 R CB -0.537 29.629 30.300 -0.224 0.000 0.856 182 R HN 0.256 nan 8.270 nan 0.000 0.436 183 F N 1.470 121.170 119.950 -0.417 0.000 2.102 183 F HA -0.141 4.387 4.527 0.001 0.000 0.298 183 F C 2.317 178.009 175.800 -0.179 0.000 1.105 183 F CA 1.434 59.236 58.000 -0.330 0.000 1.239 183 F CB -0.377 38.378 39.000 -0.408 0.000 0.991 183 F HN -0.024 nan 8.300 nan 0.000 0.474 184 A N -0.210 122.515 122.820 -0.159 0.000 1.898 184 A HA -0.174 4.147 4.320 0.001 0.000 0.216 184 A C 2.237 179.737 177.584 -0.139 0.000 1.181 184 A CA 2.472 54.443 52.037 -0.110 0.000 0.620 184 A CB -1.585 17.569 19.000 0.256 0.000 0.819 184 A HN 0.534 nan 8.150 nan 0.000 0.442 185 T N -2.397 112.072 114.554 -0.142 0.000 2.896 185 T HA -0.029 4.322 4.350 0.001 0.000 0.263 185 T C 1.622 176.242 174.700 -0.133 0.000 1.050 185 T CA 1.466 63.510 62.100 -0.093 0.000 1.140 185 T CB -0.205 68.604 68.868 -0.099 0.000 0.877 185 T HN 0.583 nan 8.240 nan 0.000 0.457 186 E N 0.610 120.694 120.200 -0.194 0.000 2.102 186 E HA 0.091 4.441 4.350 0.001 0.000 0.190 186 E C 2.317 178.783 176.600 -0.223 0.000 0.971 186 E CA 0.489 56.785 56.400 -0.174 0.000 0.821 186 E CB 0.214 29.823 29.700 -0.152 0.000 0.777 186 E HN 0.338 nan 8.360 nan 0.000 0.460 187 K N 0.062 120.233 120.400 -0.381 0.000 2.308 187 K HA 0.154 4.475 4.320 0.001 0.000 0.197 187 K C 1.560 177.916 176.600 -0.407 0.000 1.049 187 K CA 0.412 56.439 56.287 -0.432 0.000 0.991 187 K CB 0.710 32.814 32.500 -0.660 0.000 0.836 187 K HN 0.136 nan 8.250 nan 0.000 0.500 188 L N 0.042 121.014 121.223 -0.417 0.000 2.766 188 L HA 0.258 4.599 4.340 0.001 0.000 0.242 188 L C 0.714 177.491 176.870 -0.156 0.000 1.136 188 L CA -0.068 54.602 54.840 -0.282 0.000 0.933 188 L CB 0.338 42.225 42.059 -0.287 0.000 1.241 188 L HN 0.196 nan 8.230 nan 0.000 0.522 189 G N 1.493 110.215 108.800 -0.130 0.000 2.341 189 G HA2 -0.257 3.704 3.960 0.001 0.000 0.292 189 G HA3 -0.257 3.704 3.960 0.001 0.000 0.292 189 G C 0.213 175.099 174.900 -0.024 0.000 1.021 189 G CA 0.177 45.238 45.100 -0.066 0.000 0.905 189 G HN 0.148 nan 8.290 nan 0.000 0.508 190 V N 0.234 120.148 119.914 -0.001 0.000 2.521 190 V HA 0.241 4.362 4.120 0.001 0.000 0.286 190 V C 1.268 177.427 176.094 0.109 0.000 1.034 190 V CA -0.148 62.190 62.300 0.063 0.000 1.045 190 V CB 1.208 33.112 31.823 0.135 0.000 0.974 190 V HN 0.559 nan 8.190 nan 0.000 0.480 191 R N 4.077 124.635 120.500 0.097 0.000 2.298 191 R HA 0.201 4.542 4.340 0.001 0.000 0.310 191 R C -0.017 176.407 176.300 0.208 0.000 1.068 191 R CA -0.307 55.870 56.100 0.128 0.000 0.957 191 R CB 0.263 30.619 30.300 0.095 0.000 1.003 191 R HN 0.890 nan 8.270 nan 0.000 0.454 192 H N 4.194 123.346 119.070 0.136 0.000 2.556 192 H HA 0.327 4.884 4.556 0.002 0.000 0.310 192 H C -1.202 174.182 175.328 0.094 0.000 1.057 192 H CA -0.887 55.271 56.048 0.183 0.000 1.264 192 H CB 1.020 30.935 29.762 0.254 0.000 1.404 192 H HN 0.263 nan 8.280 nan 0.000 0.462 193 V N 5.996 125.904 119.914 -0.011 0.000 2.444 193 V HA 0.088 4.209 4.120 0.001 0.000 0.294 193 V C 0.003 175.968 176.094 -0.214 0.000 1.022 193 V CA -0.895 61.320 62.300 -0.142 0.000 0.850 193 V CB 1.612 33.380 31.823 -0.093 0.000 0.992 193 V HN 0.809 nan 8.190 nan 0.000 0.426 194 E N 3.878 123.925 120.200 -0.255 0.000 2.070 194 E HA 0.410 4.761 4.350 0.001 0.000 0.282 194 E C -1.022 175.551 176.600 -0.045 0.000 1.104 194 E CA 0.144 56.457 56.400 -0.145 0.000 0.876 194 E CB 1.148 30.767 29.700 -0.136 0.000 1.055 194 E HN 0.661 nan 8.360 nan 0.000 0.401 195 D N 1.701 122.087 120.400 -0.023 0.000 2.694 195 D HA 0.215 4.855 4.640 0.001 0.000 0.260 195 D C -1.173 175.133 176.300 0.011 0.000 1.250 195 D CA -0.570 53.437 54.000 0.012 0.000 0.763 195 D CB 1.502 42.334 40.800 0.054 0.000 1.311 195 D HN 0.171 nan 8.370 nan 0.000 0.420 196 R N 1.258 121.776 120.500 0.030 0.000 2.387 196 R HA 0.534 4.875 4.340 0.001 0.000 0.314 196 R C -0.688 175.635 176.300 0.039 0.000 0.958 196 R CA -0.693 55.423 56.100 0.026 0.000 0.846 196 R CB 1.372 31.689 30.300 0.028 0.000 1.147 196 R HN 0.194 nan 8.270 nan 0.000 0.447 197 V N 4.452 124.381 119.914 0.026 0.000 2.557 197 V HA -0.069 4.052 4.120 0.001 0.000 0.301 197 V C 1.194 177.316 176.094 0.046 0.000 1.026 197 V CA 0.818 63.139 62.300 0.035 0.000 1.137 197 V CB 1.103 32.930 31.823 0.007 0.000 0.917 197 V HN 0.895 nan 8.190 nan 0.000 0.484 198 E N 2.866 123.111 120.200 0.074 0.000 2.330 198 E HA 0.080 4.430 4.350 0.001 0.000 0.200 198 E C -0.076 176.609 176.600 0.141 0.000 0.922 198 E CA 0.231 56.683 56.400 0.087 0.000 0.935 198 E CB 0.633 30.385 29.700 0.086 0.000 0.917 198 E HN 0.850 nan 8.360 nan 0.000 0.491 199 H N -0.942 118.134 119.070 0.009 0.000 3.026 199 H HA 0.351 4.908 4.556 0.001 0.000 0.352 199 H C -1.742 173.576 175.328 -0.017 0.000 1.090 199 H CA -0.536 55.510 56.048 -0.004 0.000 1.268 199 H CB 1.319 31.081 29.762 0.000 0.000 1.816 199 H HN -0.235 nan 8.280 nan 0.000 0.518 200 V N 4.977 124.558 119.914 -0.555 0.000 2.370 200 V HA 0.279 4.399 4.120 0.001 0.000 0.283 200 V C -0.129 175.572 176.094 -0.655 0.000 1.023 200 V CA -0.704 61.311 62.300 -0.476 0.000 0.857 200 V CB 1.204 32.839 31.823 -0.312 0.000 0.985 200 V HN 0.739 nan 8.190 nan 0.000 0.443 201 Q N 4.860 124.394 119.800 -0.444 0.000 2.303 201 Q HA 0.494 4.835 4.340 0.001 0.000 0.257 201 Q C -0.403 175.490 176.000 -0.179 0.000 0.941 201 Q CA -0.060 55.585 55.803 -0.264 0.000 0.931 201 Q CB 0.961 29.666 28.738 -0.056 0.000 1.215 201 Q HN 0.684 nan 8.270 nan 0.000 0.437 202 R N 2.301 122.724 120.500 -0.127 0.000 2.668 202 R HA 0.403 4.743 4.340 0.001 0.000 0.279 202 R C -0.484 175.796 176.300 -0.035 0.000 0.976 202 R CA -0.803 55.244 56.100 -0.087 0.000 0.978 202 R CB 0.900 31.151 30.300 -0.082 0.000 1.133 202 R HN 0.792 nan 8.270 nan 0.000 0.484 203 D N 0.653 121.042 120.400 -0.020 0.000 2.511 203 D HA 0.196 4.837 4.640 0.001 0.000 0.276 203 D C 0.511 176.810 176.300 -0.001 0.000 1.220 203 D CA -0.661 53.338 54.000 -0.001 0.000 1.077 203 D CB 0.391 41.198 40.800 0.011 0.000 1.126 203 D HN 0.407 nan 8.370 nan 0.000 0.583 204 A N -0.706 122.117 122.820 0.004 0.000 2.167 204 A HA -0.071 4.250 4.320 0.001 0.000 0.214 204 A C 1.281 178.866 177.584 0.002 0.000 1.151 204 A CA 0.389 52.428 52.037 0.003 0.000 0.735 204 A CB -0.699 18.304 19.000 0.005 0.000 0.802 204 A HN 0.491 nan 8.150 nan 0.000 0.467 205 N N -0.522 118.180 118.700 0.003 0.000 2.398 205 N HA 0.113 4.853 4.740 0.001 0.000 0.188 205 N C 1.222 176.733 175.510 0.000 0.000 1.122 205 N CA 1.008 54.060 53.050 0.003 0.000 0.866 205 N CB 0.436 38.927 38.487 0.007 0.000 0.970 205 N HN 0.602 nan 8.380 nan 0.000 0.462 206 G N 0.539 109.337 108.800 -0.004 0.000 2.176 206 G HA2 -0.257 3.704 3.960 0.001 0.000 0.253 206 G HA3 -0.257 3.704 3.960 0.001 0.000 0.253 206 G C 0.078 174.971 174.900 -0.011 0.000 0.979 206 G CA -0.274 44.821 45.100 -0.009 0.000 0.641 206 G HN 0.281 nan 8.290 nan 0.000 0.530 207 N N 0.293 118.994 118.700 0.002 0.000 2.503 207 N HA 0.442 5.183 4.740 0.001 0.000 0.267 207 N C 0.776 176.266 175.510 -0.033 0.000 1.214 207 N CA -0.248 52.811 53.050 0.015 0.000 0.959 207 N CB 0.670 39.190 38.487 0.055 0.000 1.142 207 N HN 0.321 nan 8.380 nan 0.000 0.455 208 I N 1.236 121.754 120.570 -0.086 0.000 2.533 208 I HA -0.034 4.137 4.170 0.001 0.000 0.284 208 I C 1.741 177.796 176.117 -0.103 0.000 1.109 208 I CA 0.257 61.380 61.300 -0.295 0.000 1.412 208 I CB 0.668 38.153 38.000 -0.858 0.000 1.396 208 I HN 0.571 nan 8.210 nan 0.000 0.543 209 E N 3.705 123.854 120.200 -0.086 0.000 2.075 209 E HA -0.017 4.334 4.350 0.001 0.000 0.190 209 E C 0.237 176.918 176.600 0.135 0.000 0.969 209 E CA 0.561 56.996 56.400 0.058 0.000 0.815 209 E CB 0.507 30.222 29.700 0.025 0.000 0.776 209 E HN 0.785 nan 8.360 nan 0.000 0.457 210 S N -1.303 114.389 115.700 -0.014 0.000 2.587 210 S HA 0.449 4.920 4.470 0.001 0.000 0.269 210 S C -1.142 173.436 174.600 -0.037 0.000 1.154 210 S CA -1.049 57.201 58.200 0.083 0.000 0.824 210 S CB 2.064 65.331 63.200 0.113 0.000 1.118 210 S HN -0.082 nan 8.310 nan 0.000 0.462 211 V N 1.655 121.638 119.914 0.115 0.000 2.409 211 V HA 0.595 4.716 4.120 0.001 0.000 0.291 211 V C 0.088 176.297 176.094 0.191 0.000 1.020 211 V CA -0.602 61.751 62.300 0.088 0.000 0.848 211 V CB 1.405 33.297 31.823 0.116 0.000 0.990 211 V HN 0.914 nan 8.190 nan 0.000 0.430 212 R N 2.859 123.445 120.500 0.144 0.000 2.312 212 R HA 0.613 4.954 4.340 0.001 0.000 0.311 212 R C 0.245 176.643 176.300 0.163 0.000 1.004 212 R CA -0.227 55.974 56.100 0.168 0.000 0.902 212 R CB 1.417 31.818 30.300 0.169 0.000 1.073 212 R HN 0.897 nan 8.270 nan 0.000 0.457 213 T N 0.447 115.106 114.554 0.175 0.000 2.897 213 T HA 0.385 4.736 4.350 0.001 0.000 0.278 213 T C 1.274 176.033 174.700 0.099 0.000 0.981 213 T CA -0.325 61.864 62.100 0.149 0.000 0.973 213 T CB 1.677 70.669 68.868 0.206 0.000 1.092 213 T HN 0.589 nan 8.240 nan 0.000 0.543 214 A N 0.637 123.503 122.820 0.077 0.000 2.070 214 A HA 0.005 4.326 4.320 0.001 0.000 0.220 214 A C 2.347 179.959 177.584 0.046 0.000 1.159 214 A CA 1.868 53.937 52.037 0.053 0.000 0.656 214 A CB -1.550 17.474 19.000 0.042 0.000 0.800 214 A HN 1.082 nan 8.150 nan 0.000 0.453 215 T N -4.811 109.777 114.554 0.057 0.000 3.100 215 T HA 0.388 4.739 4.350 0.001 0.000 0.253 215 T C 1.384 176.105 174.700 0.035 0.000 1.118 215 T CA 1.109 63.236 62.100 0.045 0.000 1.058 215 T CB 0.104 69.004 68.868 0.053 0.000 0.953 215 T HN 1.639 nan 8.240 nan 0.000 0.515 216 G N 1.368 110.194 108.800 0.043 0.000 2.176 216 G HA2 -0.226 3.734 3.960 0.001 0.000 0.232 216 G HA3 -0.226 3.734 3.960 0.001 0.000 0.232 216 G C 0.110 175.013 174.900 0.005 0.000 0.986 216 G CA -0.357 44.757 45.100 0.023 0.000 0.643 216 G HN 0.661 nan 8.290 nan 0.000 0.522 217 R N -0.190 120.319 120.500 0.014 0.000 2.490 217 R HA 0.523 4.864 4.340 0.001 0.000 0.280 217 R C 0.136 176.368 176.300 -0.114 0.000 1.077 217 R CA -0.193 55.850 56.100 -0.095 0.000 1.065 217 R CB 1.404 31.632 30.300 -0.119 0.000 1.003 217 R HN 0.092 nan 8.270 nan 0.000 0.470 218 V N 4.503 124.260 119.914 -0.261 0.000 2.398 218 V HA 0.360 4.481 4.120 0.001 0.000 0.286 218 V C -0.759 175.115 176.094 -0.366 0.000 1.026 218 V CA -0.483 61.724 62.300 -0.154 0.000 0.868 218 V CB 0.977 32.762 31.823 -0.064 0.000 0.982 218 V HN 0.524 nan 8.190 nan 0.000 0.443 219 F N 3.360 123.356 119.950 0.076 0.000 2.427 219 F HA 0.482 5.010 4.527 0.001 0.000 0.348 219 F C 0.249 176.142 175.800 0.154 0.000 1.125 219 F CA -0.924 57.132 58.000 0.093 0.000 0.989 219 F CB 1.391 40.449 39.000 0.096 0.000 1.165 219 F HN 0.670 nan 8.300 nan 0.000 0.442 220 D N 1.869 122.411 120.400 0.235 0.000 2.268 220 D HA 0.845 5.485 4.640 0.001 0.000 0.249 220 D C -0.839 175.532 176.300 0.118 0.000 1.008 220 D CA -0.668 53.477 54.000 0.241 0.000 0.939 220 D CB 2.019 42.903 40.800 0.139 0.000 1.170 220 D HN 0.656 nan 8.370 nan 0.000 0.468 221 A N 0.659 123.481 122.820 0.003 0.000 2.601 221 A HA 0.390 4.711 4.320 0.001 0.000 0.291 221 A C -0.361 177.038 177.584 -0.309 0.000 1.075 221 A CA -0.754 51.081 52.037 -0.337 0.000 0.671 221 A CB 1.255 19.759 19.000 -0.826 0.000 1.277 221 A HN 0.547 nan 8.150 nan 0.000 0.417 222 D N -0.594 119.651 120.400 -0.258 0.000 2.213 222 D HA 0.108 4.749 4.640 0.001 0.000 0.205 222 D C -0.053 176.129 176.300 -0.197 0.000 0.961 222 D CA 1.350 55.266 54.000 -0.141 0.000 0.853 222 D CB 0.301 41.051 40.800 -0.085 0.000 0.967 222 D HN 0.245 nan 8.370 nan 0.000 0.496 223 L N 0.198 121.183 121.223 -0.397 0.000 2.410 223 L HA 0.373 4.714 4.340 0.001 0.000 0.270 223 L C -1.645 174.901 176.870 -0.540 0.000 0.983 223 L CA -0.629 54.011 54.840 -0.332 0.000 0.822 223 L CB 1.791 43.677 42.059 -0.288 0.000 1.285 223 L HN -0.304 nan 8.230 nan 0.000 0.409 224 F N 4.340 124.209 119.950 -0.135 0.000 2.458 224 F HA 0.638 5.166 4.527 0.001 0.000 0.336 224 F C -0.089 175.606 175.800 -0.175 0.000 1.114 224 F CA -0.920 57.006 58.000 -0.124 0.000 0.987 224 F CB 1.915 40.865 39.000 -0.085 0.000 1.130 224 F HN 0.052 nan 8.300 nan 0.000 0.458 225 V N 2.325 122.229 119.914 -0.016 0.000 2.357 225 V HA 0.195 4.316 4.120 0.001 0.000 0.284 225 V C -0.597 175.473 176.094 -0.041 0.000 1.018 225 V CA -0.736 61.515 62.300 -0.081 0.000 0.841 225 V CB 1.384 33.136 31.823 -0.120 0.000 0.991 225 V HN 0.598 nan 8.190 nan 0.000 0.437 226 D N 3.928 124.307 120.400 -0.035 0.000 2.365 226 D HA 0.221 4.861 4.640 0.001 0.000 0.237 226 D C 0.001 176.278 176.300 -0.037 0.000 1.190 226 D CA -0.144 53.841 54.000 -0.025 0.000 0.867 226 D CB 0.974 41.770 40.800 -0.007 0.000 1.050 226 D HN 0.590 nan 8.370 nan 0.000 0.491 227 C N 2.925 122.189 119.300 -0.059 0.000 2.660 227 C HA 0.139 4.600 4.460 0.001 0.000 0.265 227 C C 1.750 176.698 174.990 -0.070 0.000 1.573 227 C CA -0.379 58.598 59.018 -0.069 0.000 1.751 227 C CB -1.388 26.288 27.740 -0.107 0.000 3.033 227 C HN 0.653 nan 8.230 nan 0.000 0.511 228 S N 0.024 115.692 115.700 -0.053 0.000 2.593 228 S HA 0.425 4.896 4.470 0.001 0.000 0.217 228 S C 1.157 175.719 174.600 -0.064 0.000 0.966 228 S CA 0.715 58.885 58.200 -0.050 0.000 0.914 228 S CB -0.099 63.081 63.200 -0.034 0.000 0.776 228 S HN 1.145 nan 8.310 nan 0.000 0.523 229 G N 1.505 110.249 108.800 -0.093 0.000 2.553 229 G HA2 -0.279 3.682 3.960 0.001 0.000 0.242 229 G HA3 -0.279 3.682 3.960 0.001 0.000 0.242 229 G C 0.140 174.975 174.900 -0.108 0.000 1.277 229 G CA -0.024 44.956 45.100 -0.199 0.000 0.910 229 G HN 0.292 nan 8.290 nan 0.000 0.576 230 F N 1.090 121.011 119.950 -0.049 0.000 2.250 230 F HA -0.010 4.518 4.527 0.001 0.000 0.301 230 F C 2.945 178.673 175.800 -0.120 0.000 1.077 230 F CA 1.960 59.895 58.000 -0.109 0.000 1.348 230 F CB -0.507 38.418 39.000 -0.125 0.000 1.040 230 F HN 0.364 nan 8.300 nan 0.000 0.509 231 R N -0.032 120.516 120.500 0.080 0.000 2.152 231 R HA 0.014 4.354 4.340 0.001 0.000 0.232 231 R C 1.495 177.797 176.300 0.004 0.000 1.117 231 R CA 0.711 56.826 56.100 0.025 0.000 0.981 231 R CB -0.798 29.511 30.300 0.014 0.000 0.870 231 R HN 0.313 nan 8.270 nan 0.000 0.451 232 G N 1.583 110.388 108.800 0.009 0.000 2.386 232 G HA2 -0.261 3.700 3.960 0.001 0.000 0.295 232 G HA3 -0.261 3.700 3.960 0.001 0.000 0.295 232 G C 0.545 175.443 174.900 -0.002 0.000 0.979 232 G CA 0.152 45.258 45.100 0.010 0.000 1.193 232 G HN 0.273 nan 8.290 nan 0.000 0.508 233 L N -1.392 119.823 121.223 -0.012 0.000 2.127 233 L HA -0.110 4.231 4.340 0.001 0.000 0.211 233 L C 2.898 179.745 176.870 -0.039 0.000 1.089 233 L CA 1.483 56.309 54.840 -0.023 0.000 0.757 233 L CB -0.381 41.663 42.059 -0.025 0.000 0.899 233 L HN 0.519 nan 8.230 nan 0.000 0.434 234 L N -1.616 119.584 121.223 -0.038 0.000 2.276 234 L HA -0.038 4.303 4.340 0.001 0.000 0.194 234 L C 2.389 179.240 176.870 -0.032 0.000 1.099 234 L CA 0.246 55.050 54.840 -0.061 0.000 0.800 234 L CB -0.449 41.569 42.059 -0.069 0.000 0.994 234 L HN 0.033 nan 8.230 nan 0.000 0.475 235 I N 0.988 121.559 120.570 0.001 0.000 2.264 235 I HA -0.271 3.900 4.170 0.001 0.000 0.248 235 I C 1.745 177.885 176.117 0.038 0.000 1.111 235 I CA 1.932 63.252 61.300 0.032 0.000 1.382 235 I CB -0.342 37.695 38.000 0.062 0.000 1.060 235 I HN 0.301 nan 8.210 nan 0.000 0.418 236 N N -0.657 118.063 118.700 0.032 0.000 2.420 236 N HA 0.011 4.752 4.740 0.001 0.000 0.185 236 N C 1.633 177.150 175.510 0.012 0.000 1.033 236 N CA 0.483 53.554 53.050 0.035 0.000 0.879 236 N CB -0.143 38.369 38.487 0.042 0.000 1.071 236 N HN 0.135 nan 8.380 nan 0.000 0.437 237 K N 0.798 121.196 120.400 -0.004 0.000 2.062 237 K HA 0.091 4.412 4.320 0.001 0.000 0.205 237 K C 1.938 178.522 176.600 -0.026 0.000 1.051 237 K CA 1.238 57.517 56.287 -0.012 0.000 0.941 237 K CB -0.079 32.411 32.500 -0.016 0.000 0.719 237 K HN 0.146 nan 8.250 nan 0.000 0.440 238 A N 1.230 124.022 122.820 -0.046 0.000 1.862 238 A HA -0.001 4.320 4.320 0.001 0.000 0.211 238 A C 2.024 179.574 177.584 -0.056 0.000 1.220 238 A CA 0.787 52.779 52.037 -0.076 0.000 0.616 238 A CB -0.126 18.797 19.000 -0.128 0.000 0.878 238 A HN 0.066 nan 8.150 nan 0.000 0.453 239 M N -0.413 119.163 119.600 -0.040 0.000 2.619 239 M HA 0.054 4.535 4.480 0.001 0.000 0.251 239 M C 0.032 176.332 176.300 0.000 0.000 1.106 239 M CA 0.739 56.028 55.300 -0.019 0.000 1.086 239 M CB -1.224 31.375 32.600 -0.000 0.000 1.465 239 M HN 0.576 nan 8.290 nan 0.000 0.506 240 E N 0.249 120.452 120.200 0.004 0.000 2.883 240 E HA -0.220 4.131 4.350 0.001 0.000 0.271 240 E C 0.018 176.636 176.600 0.030 0.000 1.049 240 E CA 0.552 56.961 56.400 0.016 0.000 0.817 240 E CB -1.500 28.205 29.700 0.009 0.000 1.407 240 E HN 0.425 nan 8.360 nan 0.000 0.434 241 E N 1.428 121.653 120.200 0.040 0.000 2.366 241 E HA 0.111 4.461 4.350 0.001 0.000 0.266 241 E C -2.427 174.219 176.600 0.076 0.000 1.015 241 E CA -1.875 54.557 56.400 0.053 0.000 0.906 241 E CB 0.637 30.375 29.700 0.062 0.000 0.979 241 E HN -0.082 nan 8.360 nan 0.000 0.443 242 P HA 0.079 nan 4.420 nan 0.000 0.271 242 P C -1.107 176.269 177.300 0.126 0.000 1.218 242 P CA -0.081 63.072 63.100 0.087 0.000 0.780 242 P CB 0.320 32.048 31.700 0.047 0.000 0.901 243 F N 2.861 122.815 119.950 0.006 0.000 2.420 243 F HA 0.411 4.939 4.527 0.001 0.000 0.342 243 F C -0.624 175.180 175.800 0.006 0.000 1.113 243 F CA -0.710 57.291 58.000 0.002 0.000 1.059 243 F CB 0.632 39.637 39.000 0.008 0.000 1.128 243 F HN 0.051 nan 8.300 nan 0.000 0.475 244 L N 5.498 126.292 121.223 -0.715 0.000 2.259 244 L HA 0.242 4.582 4.340 0.001 0.000 0.288 244 L C -0.573 176.013 176.870 -0.474 0.000 1.051 244 L CA -0.751 53.838 54.840 -0.419 0.000 0.824 244 L CB 0.797 42.692 42.059 -0.273 0.000 1.206 244 L HN 0.580 nan 8.230 nan 0.000 0.429 245 D N 3.978 124.328 120.400 -0.083 0.000 2.383 245 D HA 0.098 4.738 4.640 0.001 0.000 0.252 245 D C 0.439 176.791 176.300 0.086 0.000 1.166 245 D CA 0.021 54.083 54.000 0.103 0.000 0.879 245 D CB 0.813 41.702 40.800 0.147 0.000 1.164 245 D HN 0.309 nan 8.370 nan 0.000 0.462 246 M N 2.991 122.687 119.600 0.160 0.000 2.866 246 M HA 0.052 4.533 4.480 0.001 0.000 0.319 246 M C 1.189 177.598 176.300 0.181 0.000 1.244 246 M CA -0.019 55.409 55.300 0.212 0.000 0.974 246 M CB -0.389 32.406 32.600 0.325 0.000 1.291 246 M HN 0.455 nan 8.290 nan 0.000 0.513 247 S N -0.235 115.537 115.700 0.119 0.000 2.561 247 S HA -0.090 4.380 4.470 0.001 0.000 0.225 247 S C 1.094 175.702 174.600 0.012 0.000 0.977 247 S CA 0.761 59.012 58.200 0.084 0.000 0.926 247 S CB -0.433 62.811 63.200 0.074 0.000 0.769 247 S HN 0.516 nan 8.310 nan 0.000 0.533 248 D N 0.501 120.862 120.400 -0.064 0.000 2.363 248 D HA -0.115 4.526 4.640 0.001 0.000 0.226 248 D C 1.219 177.271 176.300 -0.413 0.000 1.020 248 D CA 0.764 54.634 54.000 -0.216 0.000 0.892 248 D CB -0.522 40.125 40.800 -0.254 0.000 0.900 248 D HN 0.571 nan 8.370 nan 0.000 0.531 249 H N -0.596 118.504 119.070 0.050 0.000 2.927 249 H HA 0.374 4.931 4.556 0.002 0.000 0.255 249 H C 0.194 175.554 175.328 0.053 0.000 0.974 249 H CA -0.051 56.022 56.048 0.042 0.000 1.199 249 H CB 1.617 31.404 29.762 0.042 0.000 1.447 249 H HN 0.067 nan 8.280 nan 0.000 0.467 250 L N 1.933 123.252 121.223 0.160 0.000 2.457 250 L HA 0.239 4.580 4.340 0.001 0.000 0.266 250 L C 0.676 177.608 176.870 0.102 0.000 0.979 250 L CA -0.127 54.793 54.840 0.132 0.000 0.857 250 L CB 2.622 44.798 42.059 0.195 0.000 1.213 250 L HN -0.028 nan 8.230 nan 0.000 0.418 251 L N 1.111 122.360 121.223 0.044 0.000 2.341 251 L HA 0.091 4.432 4.340 0.001 0.000 0.214 251 L C 0.593 177.553 176.870 0.150 0.000 1.115 251 L CA 0.374 55.283 54.840 0.115 0.000 0.820 251 L CB -0.156 41.995 42.059 0.153 0.000 0.944 251 L HN 0.612 nan 8.230 nan 0.000 0.452 252 N N 1.499 120.280 118.700 0.134 0.000 2.470 252 N HA 0.057 4.798 4.740 0.001 0.000 0.268 252 N C -0.031 175.597 175.510 0.197 0.000 1.136 252 N CA 0.194 53.329 53.050 0.141 0.000 0.961 252 N CB 1.158 39.780 38.487 0.226 0.000 1.067 252 N HN 0.195 nan 8.380 nan 0.000 0.468 253 D N -1.744 118.701 120.400 0.075 0.000 2.497 253 D HA 0.127 4.768 4.640 0.001 0.000 0.256 253 D C -0.547 175.691 176.300 -0.103 0.000 1.273 253 D CA -0.089 53.977 54.000 0.110 0.000 0.812 253 D CB 0.078 40.879 40.800 0.001 0.000 1.190 253 D HN 0.130 nan 8.370 nan 0.000 0.524 254 S N -0.598 114.861 115.700 -0.401 0.000 2.588 254 S HA 0.905 5.376 4.470 0.001 0.000 0.275 254 S C -1.255 172.829 174.600 -0.859 0.000 1.130 254 S CA -0.539 57.115 58.200 -0.910 0.000 0.855 254 S CB 2.152 64.513 63.200 -1.399 0.000 1.116 254 S HN 0.483 nan 8.310 nan 0.000 0.472 255 A N 0.696 123.081 122.820 -0.725 0.000 2.549 255 A HA 0.848 5.169 4.320 0.001 0.000 0.297 255 A C -1.539 175.932 177.584 -0.188 0.000 1.061 255 A CA -0.749 51.103 52.037 -0.308 0.000 0.690 255 A CB 1.618 20.538 19.000 -0.134 0.000 1.287 255 A HN 0.977 nan 8.150 nan 0.000 0.402 256 V N 0.992 120.742 119.914 -0.274 0.000 2.487 256 V HA 0.886 5.007 4.120 0.001 0.000 0.298 256 V C -0.178 175.440 176.094 -0.793 0.000 1.028 256 V CA 0.369 62.425 62.300 -0.406 0.000 0.860 256 V CB 1.177 32.785 31.823 -0.358 0.000 0.991 256 V HN 2.134 nan 8.190 nan 0.000 0.427 257 A N 4.406 126.952 122.820 -0.458 0.000 2.556 257 A HA 0.956 5.277 4.320 0.001 0.000 0.294 257 A C -0.449 177.142 177.584 0.012 0.000 1.091 257 A CA -0.131 51.697 52.037 -0.348 0.000 0.704 257 A CB 2.365 21.297 19.000 -0.114 0.000 1.300 257 A HN 1.099 nan 8.150 nan 0.000 0.406 258 T N -0.709 113.942 114.554 0.163 0.000 2.665 258 T HA 0.565 4.915 4.350 0.001 0.000 0.303 258 T C -1.816 172.916 174.700 0.052 0.000 1.334 258 T CA -0.335 61.849 62.100 0.140 0.000 1.011 258 T CB 1.569 70.542 68.868 0.175 0.000 1.573 258 T HN 0.839 nan 8.240 nan 0.000 0.492 259 Q N 1.457 121.233 119.800 -0.039 0.000 2.356 259 Q HA 0.687 5.028 4.340 0.001 0.000 0.270 259 Q C -1.921 173.902 176.000 -0.296 0.000 1.058 259 Q CA -0.676 55.042 55.803 -0.142 0.000 0.802 259 Q CB 2.035 30.749 28.738 -0.040 0.000 1.303 259 Q HN 0.516 nan 8.270 nan 0.000 0.444 260 V N 5.005 124.561 119.914 -0.596 0.000 2.487 260 V HA 0.422 4.543 4.120 0.001 0.000 0.298 260 V C -2.298 173.481 176.094 -0.526 0.000 1.028 260 V CA -1.917 59.967 62.300 -0.694 0.000 0.860 260 V CB 1.450 32.506 31.823 -1.279 0.000 0.991 260 V HN 0.780 nan 8.190 nan 0.000 0.427 261 P HA 0.107 nan 4.420 nan 0.000 0.268 261 P C -0.690 176.587 177.300 -0.039 0.000 1.208 261 P CA 0.311 63.340 63.100 -0.119 0.000 0.777 261 P CB 0.287 31.939 31.700 -0.079 0.000 0.875 262 H N 1.527 120.566 119.070 -0.051 0.000 2.865 262 H HA 0.207 4.764 4.556 0.001 0.000 0.362 262 H C -1.270 174.063 175.328 0.009 0.000 1.114 262 H CA -0.562 55.505 56.048 0.032 0.000 1.208 262 H CB 1.690 31.533 29.762 0.136 0.000 1.727 262 H HN 0.258 nan 8.280 nan 0.000 0.534 263 D N 3.542 123.621 120.400 -0.535 0.000 2.456 263 D HA 0.083 4.724 4.640 0.001 0.000 0.219 263 D C 0.312 176.415 176.300 -0.329 0.000 1.126 263 D CA -0.182 53.633 54.000 -0.308 0.000 0.890 263 D CB 0.574 41.238 40.800 -0.227 0.000 1.025 263 D HN 0.477 nan 8.370 nan 0.000 0.511 264 D N 2.378 122.726 120.400 -0.086 0.000 2.144 264 D HA -0.141 4.500 4.640 0.001 0.000 0.200 264 D C 1.028 177.042 176.300 -0.476 0.000 0.978 264 D CA 0.720 54.637 54.000 -0.137 0.000 0.833 264 D CB 0.230 40.968 40.800 -0.103 0.000 0.961 264 D HN 0.471 nan 8.370 nan 0.000 0.470 265 D N 0.566 120.793 120.400 -0.288 0.000 2.182 265 D HA -0.108 4.533 4.640 0.001 0.000 0.201 265 D C 1.899 178.132 176.300 -0.111 0.000 0.986 265 D CA 1.260 55.171 54.000 -0.149 0.000 0.847 265 D CB -0.127 40.681 40.800 0.013 0.000 0.942 265 D HN 0.205 nan 8.370 nan 0.000 0.467 266 A N -0.103 122.646 122.820 -0.119 0.000 1.984 266 A HA 0.035 4.356 4.320 0.001 0.000 0.214 266 A C 1.590 179.140 177.584 -0.056 0.000 1.173 266 A CA 0.733 52.727 52.037 -0.073 0.000 0.673 266 A CB -0.110 18.844 19.000 -0.077 0.000 0.830 266 A HN 0.221 nan 8.150 nan 0.000 0.453 267 N N -1.650 117.008 118.700 -0.070 0.000 2.181 267 N HA 0.403 5.143 4.740 0.001 0.000 0.207 267 N C 0.700 176.242 175.510 0.053 0.000 1.182 267 N CA 0.381 53.443 53.050 0.020 0.000 0.893 267 N CB 1.058 39.587 38.487 0.070 0.000 1.032 267 N HN 0.599 nan 8.380 nan 0.000 0.513 268 G N 0.552 109.332 108.800 -0.033 0.000 2.750 268 G HA2 -0.206 3.755 3.960 0.001 0.000 0.228 268 G HA3 -0.206 3.755 3.960 0.001 0.000 0.228 268 G C -0.850 174.064 174.900 0.023 0.000 1.367 268 G CA -0.515 44.567 45.100 -0.031 0.000 0.871 268 G HN 0.069 nan 8.290 nan 0.000 0.560 269 V N 0.319 120.246 119.914 0.022 0.000 2.656 269 V HA 0.525 4.646 4.120 0.001 0.000 0.307 269 V C 0.136 176.164 176.094 -0.111 0.000 1.051 269 V CA -0.705 61.565 62.300 -0.049 0.000 0.893 269 V CB 1.802 33.653 31.823 0.047 0.000 0.999 269 V HN 0.787 nan 8.190 nan 0.000 0.426 270 E N 5.949 125.978 120.200 -0.285 0.000 2.259 270 E HA 0.229 4.580 4.350 0.001 0.000 0.281 270 E C -2.072 174.250 176.600 -0.463 0.000 1.037 270 E CA -1.649 54.418 56.400 -0.556 0.000 0.854 270 E CB 1.222 30.282 29.700 -1.066 0.000 1.051 270 E HN 0.465 nan 8.360 nan 0.000 0.409 271 P HA 0.033 nan 4.420 nan 0.000 0.246 271 P C -1.226 176.119 177.300 0.074 0.000 1.686 271 P CA 0.155 63.220 63.100 -0.057 0.000 0.867 271 P CB -0.673 31.029 31.700 0.004 0.000 1.733 272 F N -4.076 115.979 119.950 0.174 0.000 2.693 272 F HA 0.527 5.055 4.527 0.001 0.000 0.309 272 F C -0.628 175.331 175.800 0.265 0.000 1.129 272 F CA -1.318 56.787 58.000 0.174 0.000 0.948 272 F CB 0.217 39.269 39.000 0.086 0.000 1.315 272 F HN -0.458 nan 8.300 nan 0.000 0.447 273 T N 1.468 116.316 114.554 0.491 0.000 2.897 273 T HA 0.507 4.858 4.350 0.001 0.000 0.294 273 T C -0.275 174.605 174.700 0.301 0.000 1.004 273 T CA -0.395 61.879 62.100 0.290 0.000 1.106 273 T CB 1.061 70.085 68.868 0.259 0.000 0.949 273 T HN 0.651 nan 8.240 nan 0.000 0.520 274 S N 1.709 117.571 115.700 0.271 0.000 2.525 274 S HA 0.665 5.136 4.470 0.001 0.000 0.290 274 S C -0.186 174.572 174.600 0.264 0.000 1.152 274 S CA -0.866 57.468 58.200 0.224 0.000 1.072 274 S CB 1.396 64.763 63.200 0.279 0.000 1.027 274 S HN 0.859 nan 8.310 nan 0.000 0.500 275 A N 3.383 126.278 122.820 0.125 0.000 2.431 275 A HA 0.620 4.941 4.320 0.001 0.000 0.318 275 A C -0.523 177.453 177.584 0.654 0.000 1.330 275 A CA -0.548 51.739 52.037 0.417 0.000 0.804 275 A CB -0.114 18.775 19.000 -0.185 0.000 1.135 275 A HN 0.810 nan 8.150 nan 0.000 0.483 276 I N 2.800 123.756 120.570 0.643 0.000 2.307 276 I HA 0.385 4.556 4.170 0.001 0.000 0.289 276 I C 0.967 177.275 176.117 0.318 0.000 1.021 276 I CA -0.217 61.320 61.300 0.395 0.000 1.224 276 I CB 1.602 39.728 38.000 0.210 0.000 1.376 276 I HN 0.686 nan 8.210 nan 0.000 0.470 277 A N 8.520 131.333 122.820 -0.013 0.000 2.498 277 A HA 0.497 4.818 4.320 0.001 0.000 0.239 277 A C 0.158 177.732 177.584 -0.017 0.000 1.068 277 A CA 0.222 52.073 52.037 -0.310 0.000 0.766 277 A CB 0.284 18.736 19.000 -0.914 0.000 1.003 277 A HN 0.695 nan 8.150 nan 0.000 0.497 278 M N 0.946 120.630 119.600 0.140 0.000 2.821 278 M HA 0.346 4.827 4.480 0.001 0.000 0.294 278 M C 0.764 177.210 176.300 0.244 0.000 1.195 278 M CA -0.661 54.647 55.300 0.014 0.000 0.784 278 M CB 1.257 33.657 32.600 -0.332 0.000 1.755 278 M HN 0.770 nan 8.290 nan 0.000 0.477 279 K N 0.173 120.654 120.400 0.135 0.000 2.148 279 K HA 0.015 4.336 4.320 0.001 0.000 0.204 279 K C 0.682 177.344 176.600 0.103 0.000 1.050 279 K CA 1.157 57.583 56.287 0.232 0.000 0.942 279 K CB 0.168 32.747 32.500 0.131 0.000 0.724 279 K HN 0.457 nan 8.250 nan 0.000 0.446 280 S N -0.452 115.184 115.700 -0.107 0.000 2.902 280 S HA 0.357 4.828 4.470 0.001 0.000 0.250 280 S C -0.120 173.744 174.600 -1.226 0.000 1.046 280 S CA -0.188 57.602 58.200 -0.683 0.000 1.069 280 S CB 1.564 64.658 63.200 -0.176 0.000 0.967 280 S HN 0.511 nan 8.310 nan 0.000 0.530 281 G N 1.503 109.755 108.800 -0.913 0.000 2.491 281 G HA2 0.324 4.284 3.960 0.001 0.000 0.183 281 G HA3 0.324 4.284 3.960 0.001 0.000 0.183 281 G C -2.181 172.949 174.900 0.385 0.000 1.221 281 G CA -0.235 44.680 45.100 -0.309 0.000 0.996 281 G HN 0.437 nan 8.290 nan 0.000 0.474 282 W N -0.405 121.138 121.300 0.405 0.000 3.146 282 W HA 0.733 5.394 4.660 0.002 0.000 0.319 282 W C -1.602 175.182 176.519 0.441 0.000 1.258 282 W CA -0.851 56.714 57.345 0.368 0.000 1.189 282 W CB 0.732 30.509 29.460 0.528 0.000 1.412 282 W HN 0.722 nan 8.180 nan 0.000 0.567 283 T N 2.721 117.490 114.554 0.358 0.000 2.792 283 T HA 0.367 4.718 4.350 0.001 0.000 0.280 283 T C -0.655 174.323 174.700 0.464 0.000 0.990 283 T CA -0.189 62.012 62.100 0.169 0.000 0.960 283 T CB 0.918 69.884 68.868 0.162 0.000 0.939 283 T HN 0.399 nan 8.240 nan 0.000 0.439 284 W N 2.987 124.419 121.300 0.221 0.000 2.251 284 W HA 0.697 5.358 4.660 0.002 0.000 0.329 284 W C -0.361 176.379 176.519 0.367 0.000 1.234 284 W CA -1.052 56.537 57.345 0.407 0.000 1.228 284 W CB 0.517 30.186 29.460 0.349 0.000 1.135 284 W HN 0.423 nan 8.180 nan 0.000 0.576 285 K N 4.472 125.220 120.400 0.581 0.000 2.507 285 K HA 0.458 4.779 4.320 0.001 0.000 0.252 285 K C -1.620 175.108 176.600 0.213 0.000 0.943 285 K CA -0.693 55.805 56.287 0.352 0.000 0.808 285 K CB 0.944 33.537 32.500 0.156 0.000 1.142 285 K HN 0.784 nan 8.250 nan 0.000 0.426 286 I N 6.596 127.275 120.570 0.181 0.000 2.464 286 I HA 0.258 4.429 4.170 0.001 0.000 0.277 286 I C -2.372 173.638 176.117 -0.178 0.000 1.040 286 I CA -2.419 58.770 61.300 -0.185 0.000 1.153 286 I CB 1.755 39.708 38.000 -0.080 0.000 1.274 286 I HN 0.324 nan 8.210 nan 0.000 0.469 287 P HA 0.269 nan 4.420 nan 0.000 0.271 287 P C -0.448 176.843 177.300 -0.016 0.000 1.220 287 P CA 0.184 63.201 63.100 -0.137 0.000 0.768 287 P CB 0.817 32.387 31.700 -0.216 0.000 0.848 288 M N 1.665 121.294 119.600 0.049 0.000 2.561 288 M HA 0.416 4.896 4.480 0.001 0.000 0.266 288 M C -0.291 176.049 176.300 0.068 0.000 0.983 288 M CA -1.002 54.352 55.300 0.091 0.000 1.080 288 M CB 0.625 33.288 32.600 0.104 0.000 1.554 288 M HN -0.004 nan 8.290 nan 0.000 0.604 289 L N 1.410 122.665 121.223 0.053 0.000 2.261 289 L HA 0.424 4.765 4.340 0.001 0.000 0.289 289 L C 0.758 177.653 176.870 0.041 0.000 1.059 289 L CA -0.225 54.633 54.840 0.029 0.000 0.816 289 L CB 0.254 42.280 42.059 -0.055 0.000 1.191 289 L HN 1.068 nan 8.230 nan 0.000 0.431 290 G N 3.071 111.921 108.800 0.083 0.000 2.148 290 G HA2 -0.252 3.709 3.960 0.001 0.000 0.254 290 G HA3 -0.252 3.709 3.960 0.001 0.000 0.254 290 G C 0.152 175.114 174.900 0.104 0.000 0.981 290 G CA 0.482 45.637 45.100 0.091 0.000 0.670 290 G HN 0.846 nan 8.290 nan 0.000 0.528 291 R N -1.589 118.983 120.500 0.119 0.000 2.753 291 R HA 0.606 4.947 4.340 0.001 0.000 0.272 291 R C -1.097 175.251 176.300 0.081 0.000 1.034 291 R CA -0.686 55.444 56.100 0.050 0.000 0.869 291 R CB 0.397 30.685 30.300 -0.020 0.000 1.264 291 R HN 0.955 nan 8.270 nan 0.000 0.481 292 F N -0.912 118.984 119.950 -0.091 0.000 2.576 292 F HA 0.835 5.362 4.527 0.001 0.000 0.313 292 F C -0.209 175.539 175.800 -0.087 0.000 1.078 292 F CA -0.984 56.936 58.000 -0.134 0.000 0.921 292 F CB 1.976 40.832 39.000 -0.240 0.000 1.232 292 F HN 0.700 nan 8.300 nan 0.000 0.459 293 G N 0.380 109.305 108.800 0.209 0.000 2.377 293 G HA2 0.515 4.476 3.960 0.001 0.000 0.299 293 G HA3 0.515 4.476 3.960 0.001 0.000 0.299 293 G C -1.313 173.823 174.900 0.393 0.000 1.150 293 G CA -0.584 44.672 45.100 0.260 0.000 0.847 293 G HN 0.940 nan 8.290 nan 0.000 0.501 294 T N -0.502 114.169 114.554 0.195 0.000 2.923 294 T HA 0.718 5.068 4.350 0.001 0.000 0.311 294 T C -0.425 173.955 174.700 -0.533 0.000 1.183 294 T CA 0.024 62.065 62.100 -0.097 0.000 1.020 294 T CB 1.606 70.530 68.868 0.092 0.000 1.165 294 T HN 1.297 nan 8.240 nan 0.000 0.482 295 G N 2.493 110.422 108.800 -1.452 0.000 2.753 295 G HA2 0.480 4.441 3.960 0.001 0.000 0.295 295 G HA3 0.480 4.441 3.960 0.001 0.000 0.295 295 G C -1.987 172.331 174.900 -0.970 0.000 1.437 295 G CA -0.529 43.557 45.100 -1.690 0.000 1.094 295 G HN 0.621 nan 8.290 nan 0.000 0.540 296 Y N 3.789 123.566 120.300 -0.873 0.000 2.504 296 Y HA 0.457 5.008 4.550 0.001 0.000 0.351 296 Y C -0.036 175.683 175.900 -0.301 0.000 0.988 296 Y CA -1.198 56.642 58.100 -0.434 0.000 1.239 296 Y CB 0.808 39.092 38.460 -0.293 0.000 1.128 296 Y HN 0.257 nan 8.280 nan 0.000 0.525 297 V N 9.798 129.620 119.914 -0.153 0.000 2.455 297 V HA 0.171 4.292 4.120 0.001 0.000 0.273 297 V C -0.450 175.571 176.094 -0.121 0.000 1.045 297 V CA -0.109 62.125 62.300 -0.110 0.000 0.976 297 V CB -0.678 31.040 31.823 -0.175 0.000 0.993 297 V HN 0.674 nan 8.190 nan 0.000 0.475 298 Y N 2.198 122.266 120.300 -0.387 0.000 2.638 298 Y HA 0.750 5.301 4.550 0.001 0.000 0.339 298 Y C -0.168 175.575 175.900 -0.262 0.000 1.084 298 Y CA -1.287 56.493 58.100 -0.534 0.000 1.068 298 Y CB 1.810 39.641 38.460 -1.049 0.000 1.294 298 Y HN 0.345 nan 8.280 nan 0.000 0.480 299 S N 1.023 116.638 115.700 -0.142 0.000 2.422 299 S HA 0.210 4.681 4.470 0.001 0.000 0.298 299 S C 0.933 175.559 174.600 0.043 0.000 1.118 299 S CA -0.061 58.144 58.200 0.008 0.000 1.083 299 S CB 0.306 63.728 63.200 0.370 0.000 0.971 299 S HN 0.979 nan 8.310 nan 0.000 0.478 300 S N 4.943 120.572 115.700 -0.117 0.000 2.465 300 S HA -0.158 4.313 4.470 0.001 0.000 0.241 300 S C 1.705 176.273 174.600 -0.052 0.000 1.000 300 S CA 0.865 59.038 58.200 -0.045 0.000 0.964 300 S CB -0.348 62.784 63.200 -0.113 0.000 0.763 300 S HN 0.818 nan 8.310 nan 0.000 0.512 301 R N -0.403 120.031 120.500 -0.111 0.000 2.235 301 R HA 0.140 4.481 4.340 0.001 0.000 0.213 301 R C 0.590 176.523 176.300 -0.611 0.000 1.059 301 R CA 1.108 56.981 56.100 -0.378 0.000 0.997 301 R CB -0.110 29.885 30.300 -0.507 0.000 0.884 301 R HN 0.550 nan 8.270 nan 0.000 0.462 302 F N -1.364 118.622 119.950 0.060 0.000 2.784 302 F HA 0.458 4.986 4.527 0.001 0.000 0.323 302 F C 0.131 175.954 175.800 0.038 0.000 1.085 302 F CA -0.177 57.864 58.000 0.067 0.000 1.196 302 F CB 1.132 40.210 39.000 0.130 0.000 1.053 302 F HN -0.060 nan 8.300 nan 0.000 0.578 303 A N 0.219 123.135 122.820 0.160 0.000 2.455 303 A HA 0.592 4.913 4.320 0.001 0.000 0.300 303 A C -0.019 177.591 177.584 0.042 0.000 1.040 303 A CA -0.505 51.570 52.037 0.063 0.000 0.697 303 A CB 0.390 19.369 19.000 -0.034 0.000 1.265 303 A HN 0.067 nan 8.150 nan 0.000 0.407 304 T N -0.924 113.620 114.554 -0.015 0.000 2.813 304 T HA 0.248 4.599 4.350 0.001 0.000 0.297 304 T C 0.964 175.613 174.700 -0.085 0.000 1.036 304 T CA 0.527 62.617 62.100 -0.017 0.000 1.044 304 T CB 0.875 69.727 68.868 -0.027 0.000 0.993 304 T HN 0.745 nan 8.240 nan 0.000 0.535 305 E N 0.438 120.622 120.200 -0.027 0.000 2.097 305 E HA -0.252 4.099 4.350 0.001 0.000 0.196 305 E C 1.345 177.855 176.600 -0.149 0.000 1.000 305 E CA 1.803 58.156 56.400 -0.078 0.000 0.804 305 E CB -0.101 29.597 29.700 -0.003 0.000 0.740 305 E HN 0.708 nan 8.360 nan 0.000 0.454 306 D N 0.261 120.608 120.400 -0.089 0.000 2.097 306 D HA -0.150 4.491 4.640 0.001 0.000 0.195 306 D C 1.789 178.038 176.300 -0.085 0.000 0.989 306 D CA 1.092 55.051 54.000 -0.069 0.000 0.827 306 D CB -0.229 40.548 40.800 -0.038 0.000 0.966 306 D HN 0.318 nan 8.370 nan 0.000 0.456 307 E N 0.607 120.748 120.200 -0.098 0.000 2.085 307 E HA -0.162 4.189 4.350 0.001 0.000 0.194 307 E C 2.060 178.585 176.600 -0.126 0.000 0.994 307 E CA 1.131 57.478 56.400 -0.087 0.000 0.801 307 E CB -0.072 29.588 29.700 -0.066 0.000 0.743 307 E HN 0.210 nan 8.360 nan 0.000 0.453 308 A N 0.906 123.527 122.820 -0.331 0.000 1.898 308 A HA -0.126 4.194 4.320 0.001 0.000 0.216 308 A C 2.518 180.026 177.584 -0.127 0.000 1.181 308 A CA 1.051 52.802 52.037 -0.477 0.000 0.620 308 A CB -0.644 17.410 19.000 -1.576 0.000 0.819 308 A HN 0.115 nan 8.150 nan 0.000 0.442 309 V N 0.220 120.055 119.914 -0.131 0.000 2.287 309 V HA -0.292 3.829 4.120 0.001 0.000 0.248 309 V C 2.699 178.848 176.094 0.092 0.000 1.053 309 V CA 2.457 64.773 62.300 0.027 0.000 1.027 309 V CB -0.785 31.036 31.823 -0.003 0.000 0.646 309 V HN 0.706 nan 8.190 nan 0.000 0.447 310 R N 0.470 120.986 120.500 0.026 0.000 2.081 310 R HA -0.216 4.125 4.340 0.001 0.000 0.235 310 R C 2.380 178.689 176.300 0.014 0.000 1.131 310 R CA 2.057 58.167 56.100 0.018 0.000 0.960 310 R CB -0.259 30.038 30.300 -0.004 0.000 0.856 310 R HN 0.818 nan 8.270 nan 0.000 0.436 311 E N -0.716 119.502 120.200 0.030 0.000 2.158 311 E HA -0.176 4.174 4.350 0.001 0.000 0.191 311 E C 1.843 178.406 176.600 -0.061 0.000 0.982 311 E CA 0.568 56.952 56.400 -0.026 0.000 0.823 311 E CB -0.485 29.199 29.700 -0.026 0.000 0.766 311 E HN 0.362 nan 8.360 nan 0.000 0.468 312 F N 1.975 121.867 119.950 -0.096 0.000 2.102 312 F HA -0.159 4.369 4.527 0.001 0.000 0.298 312 F C 2.125 177.899 175.800 -0.043 0.000 1.105 312 F CA 1.350 59.298 58.000 -0.086 0.000 1.239 312 F CB -0.522 38.524 39.000 0.076 0.000 0.991 312 F HN 0.106 nan 8.300 nan 0.000 0.474 313 C N 0.603 119.885 119.300 -0.030 0.000 2.422 313 C HA -0.132 4.328 4.460 0.001 0.000 0.279 313 C C 2.648 177.529 174.990 -0.183 0.000 1.305 313 C CA 1.247 60.191 59.018 -0.123 0.000 1.757 313 C CB -1.208 26.535 27.740 0.005 0.000 1.962 313 C HN 0.536 nan 8.230 nan 0.000 0.499 314 E N -0.020 120.068 120.200 -0.187 0.000 2.107 314 E HA -0.171 4.180 4.350 0.001 0.000 0.191 314 E C 2.155 178.479 176.600 -0.460 0.000 0.982 314 E CA 0.755 57.019 56.400 -0.227 0.000 0.809 314 E CB -0.270 29.345 29.700 -0.142 0.000 0.756 314 E HN 0.632 nan 8.360 nan 0.000 0.459 315 M N -0.438 118.852 119.600 -0.518 0.000 2.106 315 M HA -0.199 4.282 4.480 0.001 0.000 0.259 315 M C 0.898 176.631 176.300 -0.944 0.000 1.068 315 M CA 1.866 56.705 55.300 -0.767 0.000 1.100 315 M CB -0.049 31.999 32.600 -0.921 0.000 1.351 315 M HN 0.180 nan 8.290 nan 0.000 0.404 316 W N -1.061 119.939 121.300 -0.500 0.000 3.239 316 W HA 0.184 4.845 4.660 0.001 0.000 0.348 316 W C -0.099 176.274 176.519 -0.244 0.000 1.183 316 W CA -0.501 56.641 57.345 -0.338 0.000 1.819 316 W CB 0.154 29.426 29.460 -0.313 0.000 1.091 316 W HN 0.301 nan 8.180 nan 0.000 0.629 317 H N -0.231 118.875 119.070 0.060 0.000 2.756 317 H HA -0.163 4.394 4.556 0.001 0.000 0.315 317 H C -0.231 175.117 175.328 0.033 0.000 1.210 317 H CA 0.828 56.897 56.048 0.034 0.000 1.150 317 H CB -2.111 27.677 29.762 0.043 0.000 1.463 317 H HN 0.218 nan 8.280 nan 0.000 0.427 318 L N 0.493 121.746 121.223 0.050 0.000 2.334 318 L HA 0.336 4.677 4.340 0.001 0.000 0.272 318 L C 0.939 177.824 176.870 0.024 0.000 1.020 318 L CA -0.784 54.074 54.840 0.030 0.000 0.812 318 L CB 1.473 43.526 42.059 -0.010 0.000 1.264 318 L HN 0.002 nan 8.230 nan 0.000 0.439 319 D N 2.825 123.240 120.400 0.026 0.000 2.336 319 D HA 0.148 4.789 4.640 0.001 0.000 0.249 319 D C -1.714 174.603 176.300 0.028 0.000 1.213 319 D CA -1.922 52.093 54.000 0.025 0.000 0.870 319 D CB 1.601 42.415 40.800 0.022 0.000 1.076 319 D HN 0.178 nan 8.370 nan 0.000 0.483 320 P HA -0.070 nan 4.420 nan 0.000 0.223 320 P C 0.777 178.096 177.300 0.032 0.000 1.151 320 P CA 0.596 63.719 63.100 0.039 0.000 0.787 320 P CB 0.529 32.249 31.700 0.034 0.000 0.788 321 E N -0.593 119.621 120.200 0.023 0.000 2.358 321 E HA -0.034 4.317 4.350 0.001 0.000 0.195 321 E C 1.448 178.060 176.600 0.020 0.000 1.010 321 E CA 1.455 57.867 56.400 0.019 0.000 0.856 321 E CB -0.426 29.283 29.700 0.014 0.000 0.795 321 E HN 0.435 nan 8.360 nan 0.000 0.504 322 T N -3.876 110.691 114.554 0.022 0.000 3.046 322 T HA 0.091 4.442 4.350 0.001 0.000 0.270 322 T C 0.694 175.407 174.700 0.022 0.000 0.920 322 T CA -0.437 61.674 62.100 0.019 0.000 0.874 322 T CB 0.252 69.128 68.868 0.015 0.000 1.214 322 T HN -0.143 nan 8.240 nan 0.000 0.536 323 Q N 3.526 123.343 119.800 0.028 0.000 2.297 323 Q HA 0.366 4.707 4.340 0.001 0.000 0.267 323 Q C -2.769 173.256 176.000 0.042 0.000 1.006 323 Q CA -1.684 54.138 55.803 0.031 0.000 0.896 323 Q CB 0.484 29.246 28.738 0.039 0.000 1.186 323 Q HN 0.142 nan 8.270 nan 0.000 0.392 324 P HA 0.057 nan 4.420 nan 0.000 0.266 324 P C -1.216 176.122 177.300 0.064 0.000 1.215 324 P CA 0.483 63.609 63.100 0.042 0.000 0.763 324 P CB 0.351 32.072 31.700 0.034 0.000 0.806 325 L N 3.675 124.937 121.223 0.064 0.000 2.381 325 L HA 0.444 4.785 4.340 0.001 0.000 0.268 325 L C 0.110 177.008 176.870 0.047 0.000 0.997 325 L CA -0.914 53.969 54.840 0.072 0.000 0.818 325 L CB 1.923 44.028 42.059 0.076 0.000 1.310 325 L HN 0.162 nan 8.230 nan 0.000 0.416 326 N N 1.998 120.721 118.700 0.039 0.000 2.419 326 N HA 0.356 5.096 4.740 0.001 0.000 0.264 326 N C -0.786 174.707 175.510 -0.027 0.000 1.031 326 N CA -0.424 52.643 53.050 0.028 0.000 0.951 326 N CB 1.262 39.793 38.487 0.074 0.000 1.101 326 N HN 0.391 nan 8.380 nan 0.000 0.488 327 R N 2.239 122.721 120.500 -0.030 0.000 2.215 327 R HA 0.501 4.842 4.340 0.001 0.000 0.336 327 R C -0.359 175.885 176.300 -0.095 0.000 0.996 327 R CA -0.365 55.697 56.100 -0.064 0.000 0.847 327 R CB 0.650 30.925 30.300 -0.041 0.000 1.127 327 R HN 0.481 nan 8.270 nan 0.000 0.465 328 I N 2.212 122.668 120.570 -0.189 0.000 2.509 328 I HA 0.395 4.565 4.170 0.001 0.000 0.293 328 I C -0.232 175.602 176.117 -0.472 0.000 1.020 328 I CA -0.971 60.160 61.300 -0.282 0.000 1.088 328 I CB 1.908 39.717 38.000 -0.318 0.000 1.267 328 I HN 0.297 nan 8.210 nan 0.000 0.430 329 R N 5.489 125.771 120.500 -0.363 0.000 2.265 329 R HA 0.552 4.893 4.340 0.001 0.000 0.328 329 R C -1.638 174.409 176.300 -0.422 0.000 0.969 329 R CA -0.293 55.567 56.100 -0.399 0.000 0.832 329 R CB 0.325 30.480 30.300 -0.242 0.000 1.139 329 R HN 0.270 nan 8.270 nan 0.000 0.457 330 F N 2.291 122.018 119.950 -0.372 0.000 2.370 330 F HA 0.472 5.000 4.527 0.002 0.000 0.319 330 F C 0.980 176.265 175.800 -0.858 0.000 1.129 330 F CA -0.652 56.895 58.000 -0.756 0.000 1.109 330 F CB 0.797 39.539 39.000 -0.430 0.000 1.262 330 F HN 0.344 nan 8.300 nan 0.000 0.534 331 R N 1.581 121.338 120.500 -1.238 0.000 2.247 331 R HA 0.560 4.901 4.340 0.001 0.000 0.329 331 R C -1.839 174.427 176.300 -0.057 0.000 1.014 331 R CA -0.305 55.403 56.100 -0.654 0.000 0.907 331 R CB 0.580 30.367 30.300 -0.856 0.000 1.146 331 R HN 0.527 nan 8.270 nan 0.000 0.499 332 V N 4.669 124.750 119.914 0.278 0.000 2.465 332 V HA 0.713 4.834 4.120 0.001 0.000 0.279 332 V C 0.879 177.331 176.094 0.597 0.000 1.045 332 V CA 0.626 63.249 62.300 0.538 0.000 0.938 332 V CB 1.063 33.147 31.823 0.435 0.000 0.986 332 V HN 1.097 nan 8.190 nan 0.000 0.467 333 G N 5.202 114.343 108.800 0.568 0.000 2.250 333 G HA2 0.171 4.131 3.960 0.001 0.000 0.252 333 G HA3 0.171 4.131 3.960 0.001 0.000 0.252 333 G C -0.930 173.619 174.900 -0.585 0.000 1.325 333 G CA -0.282 44.867 45.100 0.082 0.000 1.091 333 G HN 1.064 nan 8.290 nan 0.000 0.476 334 R N -0.769 119.072 120.500 -1.097 0.000 2.710 334 R HA 0.595 4.935 4.340 0.001 0.000 0.270 334 R C -0.745 175.084 176.300 -0.785 0.000 1.021 334 R CA -1.078 54.505 56.100 -0.862 0.000 0.889 334 R CB 0.613 30.314 30.300 -0.998 0.000 1.243 334 R HN 0.501 nan 8.270 nan 0.000 0.464 335 N N 1.291 119.842 118.700 -0.248 0.000 2.374 335 N HA -0.048 4.693 4.740 0.001 0.000 0.241 335 N C 0.630 176.057 175.510 -0.138 0.000 1.262 335 N CA 0.055 53.052 53.050 -0.089 0.000 0.880 335 N CB 0.687 39.216 38.487 0.070 0.000 1.105 335 N HN 0.641 nan 8.380 nan 0.000 0.438 336 R N 1.089 121.542 120.500 -0.080 0.000 2.117 336 R HA -0.093 4.248 4.340 0.001 0.000 0.243 336 R C -0.141 176.144 176.300 -0.024 0.000 1.143 336 R CA 1.483 57.550 56.100 -0.054 0.000 0.968 336 R CB 0.270 30.556 30.300 -0.024 0.000 0.863 336 R HN 0.514 nan 8.270 nan 0.000 0.444 337 R N -2.026 118.480 120.500 0.010 0.000 2.564 337 R HA 0.300 4.641 4.340 0.001 0.000 0.284 337 R C -0.026 176.337 176.300 0.106 0.000 1.031 337 R CA 0.020 56.149 56.100 0.048 0.000 0.904 337 R CB 1.851 32.177 30.300 0.043 0.000 1.199 337 R HN 0.086 nan 8.270 nan 0.000 0.443 338 A N 2.813 125.733 122.820 0.166 0.000 1.969 338 A HA -0.086 4.235 4.320 0.001 0.000 0.218 338 A C 0.035 177.826 177.584 0.345 0.000 1.169 338 A CA 1.077 53.266 52.037 0.253 0.000 0.635 338 A CB 0.013 19.212 19.000 0.331 0.000 0.810 338 A HN 0.657 nan 8.150 nan 0.000 0.445 339 W N -0.242 121.130 121.300 0.121 0.000 2.683 339 W HA 0.567 5.228 4.660 0.001 0.000 0.329 339 W C -1.915 174.593 176.519 -0.017 0.000 1.037 339 W CA -1.691 55.644 57.345 -0.017 0.000 1.232 339 W CB 1.277 30.616 29.460 -0.201 0.000 1.390 339 W HN -0.074 nan 8.180 nan 0.000 0.465 340 V N 7.395 127.545 119.914 0.393 0.000 2.686 340 V HA 0.734 4.854 4.120 0.001 0.000 0.306 340 V C 0.798 177.020 176.094 0.214 0.000 1.065 340 V CA 0.059 62.452 62.300 0.155 0.000 0.894 340 V CB 0.993 32.873 31.823 0.094 0.000 1.004 340 V HN 1.089 nan 8.190 nan 0.000 0.424 341 G N 4.702 113.554 108.800 0.087 0.000 2.634 341 G HA2 -0.341 3.619 3.960 0.001 0.000 0.318 341 G HA3 -0.341 3.619 3.960 0.001 0.000 0.318 341 G C 0.457 175.526 174.900 0.282 0.000 1.207 341 G CA 0.899 46.066 45.100 0.112 0.000 0.987 341 G HN 1.359 nan 8.290 nan 0.000 0.547 342 N N 0.225 119.073 118.700 0.248 0.000 2.328 342 N HA 0.344 5.085 4.740 0.001 0.000 0.247 342 N C -0.215 175.404 175.510 0.181 0.000 1.165 342 N CA 0.599 53.800 53.050 0.251 0.000 0.873 342 N CB 0.101 38.713 38.487 0.208 0.000 1.125 342 N HN 0.970 nan 8.380 nan 0.000 0.513 343 C N 1.113 120.514 119.300 0.167 0.000 2.344 343 C HA 0.660 5.121 4.460 0.001 0.000 0.326 343 C C -0.742 174.224 174.990 -0.039 0.000 1.201 343 C CA -0.396 58.662 59.018 0.067 0.000 1.410 343 C CB -0.269 27.512 27.740 0.069 0.000 2.070 343 C HN 0.178 nan 8.230 nan 0.000 0.445 344 V N 6.723 126.477 119.914 -0.266 0.000 2.398 344 V HA 0.551 4.672 4.120 0.001 0.000 0.286 344 V C 0.460 176.477 176.094 -0.128 0.000 1.026 344 V CA -0.171 61.908 62.300 -0.370 0.000 0.868 344 V CB 1.752 33.107 31.823 -0.779 0.000 0.982 344 V HN 0.967 nan 8.190 nan 0.000 0.443 345 S N 6.099 121.803 115.700 0.008 0.000 2.525 345 S HA 0.761 5.232 4.470 0.001 0.000 0.278 345 S C -0.705 173.933 174.600 0.063 0.000 1.234 345 S CA -0.635 57.589 58.200 0.040 0.000 1.058 345 S CB 1.150 64.398 63.200 0.080 0.000 0.983 345 S HN 0.456 nan 8.310 nan 0.000 0.495 346 I N 2.360 122.946 120.570 0.027 0.000 2.533 346 I HA 0.712 4.883 4.170 0.001 0.000 0.290 346 I C 0.885 177.016 176.117 0.023 0.000 1.056 346 I CA 0.325 61.641 61.300 0.027 0.000 1.057 346 I CB 0.823 38.815 38.000 -0.015 0.000 1.240 346 I HN 1.167 nan 8.210 nan 0.000 0.423 347 G N 4.807 113.637 108.800 0.050 0.000 2.482 347 G HA2 -0.236 3.725 3.960 0.001 0.000 0.214 347 G HA3 -0.236 3.725 3.960 0.001 0.000 0.214 347 G C 0.582 175.556 174.900 0.124 0.000 1.271 347 G CA 0.084 45.228 45.100 0.073 0.000 0.944 347 G HN 0.768 nan 8.290 nan 0.000 0.568 348 T N -1.315 113.293 114.554 0.089 0.000 3.113 348 T HA 0.146 4.497 4.350 0.001 0.000 0.263 348 T C 2.477 177.274 174.700 0.161 0.000 1.143 348 T CA 2.134 64.326 62.100 0.154 0.000 1.090 348 T CB -0.353 68.393 68.868 -0.203 0.000 0.922 348 T HN 1.866 nan 8.240 nan 0.000 0.521 349 S N 0.657 116.403 115.700 0.075 0.000 2.481 349 S HA 0.012 4.482 4.470 0.001 0.000 0.231 349 S C 2.137 176.820 174.600 0.139 0.000 0.996 349 S CA 0.739 58.991 58.200 0.087 0.000 0.942 349 S CB -0.364 62.856 63.200 0.033 0.000 0.768 349 S HN 0.482 nan 8.310 nan 0.000 0.520 350 S N 0.389 116.171 115.700 0.137 0.000 2.384 350 S HA 0.245 4.716 4.470 0.001 0.000 0.217 350 S C 0.742 175.405 174.600 0.106 0.000 1.041 350 S CA 0.632 58.901 58.200 0.114 0.000 0.948 350 S CB -0.359 62.883 63.200 0.069 0.000 0.872 350 S HN 0.989 nan 8.310 nan 0.000 0.512 351 C N -0.614 118.764 119.300 0.131 0.000 3.307 351 C HA 0.824 5.285 4.460 0.001 0.000 0.333 351 C C -1.296 173.957 174.990 0.438 0.000 1.291 351 C CA -1.631 57.428 59.018 0.069 0.000 1.273 351 C CB 0.295 27.716 27.740 -0.533 0.000 1.580 351 C HN 0.473 nan 8.230 nan 0.000 0.481 352 F N 1.069 121.255 119.950 0.394 0.000 2.608 352 F HA 0.784 5.312 4.527 0.002 0.000 0.309 352 F C -1.242 174.935 175.800 0.629 0.000 1.103 352 F CA -0.640 57.677 58.000 0.530 0.000 0.954 352 F CB 1.657 40.981 39.000 0.541 0.000 1.267 352 F HN 0.895 nan 8.300 nan 0.000 0.444 353 V N 5.482 125.233 119.914 -0.272 0.000 2.876 353 V HA 0.400 4.520 4.120 0.001 0.000 0.312 353 V C -0.969 174.529 176.094 -0.994 0.000 1.085 353 V CA -0.635 61.500 62.300 -0.275 0.000 0.945 353 V CB 2.045 33.900 31.823 0.052 0.000 1.017 353 V HN 0.873 nan 8.190 nan 0.000 0.428 354 E N 6.779 126.730 120.200 -0.415 0.000 2.467 354 E HA 0.056 4.407 4.350 0.001 0.000 0.264 354 E C -2.113 174.494 176.600 0.013 0.000 1.020 354 E CA -0.971 55.358 56.400 -0.118 0.000 0.945 354 E CB 0.436 30.399 29.700 0.438 0.000 0.942 354 E HN 0.532 nan 8.360 nan 0.000 0.449 355 P HA -0.011 nan 4.420 nan 0.000 0.254 355 P C 0.720 178.208 177.300 0.314 0.000 1.631 355 P CA -0.092 63.092 63.100 0.140 0.000 0.861 355 P CB -0.026 31.682 31.700 0.014 0.000 1.663 356 L N 0.532 121.895 121.223 0.232 0.000 2.131 356 L HA -0.061 4.280 4.340 0.001 0.000 0.210 356 L C 1.479 178.265 176.870 -0.140 0.000 1.092 356 L CA 1.989 56.687 54.840 -0.237 0.000 0.759 356 L CB -0.492 41.275 42.059 -0.487 0.000 0.903 356 L HN -0.077 nan 8.230 nan 0.000 0.435 357 E N -0.695 119.503 120.200 -0.002 0.000 2.651 357 E HA 0.220 4.571 4.350 0.001 0.000 0.208 357 E C 0.085 176.823 176.600 0.229 0.000 0.997 357 E CA 0.322 56.828 56.400 0.177 0.000 1.020 357 E CB 0.249 30.130 29.700 0.302 0.000 1.052 357 E HN 0.317 nan 8.360 nan 0.000 0.465 358 S N 0.372 116.146 115.700 0.124 0.000 3.628 358 S HA -0.155 4.315 4.470 0.001 0.000 0.373 358 S C 1.041 175.691 174.600 0.082 0.000 0.968 358 S CA 1.145 59.407 58.200 0.105 0.000 1.215 358 S CB -1.919 61.382 63.200 0.168 0.000 0.912 358 S HN 0.511 nan 8.310 nan 0.000 0.495 359 T N -3.281 111.240 114.554 -0.054 0.000 3.054 359 T HA 0.378 4.729 4.350 0.001 0.000 0.255 359 T C 1.900 176.304 174.700 -0.494 0.000 1.035 359 T CA 0.570 62.510 62.100 -0.267 0.000 0.941 359 T CB 0.350 68.908 68.868 -0.517 0.000 1.026 359 T HN 0.550 nan 8.240 nan 0.000 0.533 360 G N 2.783 111.426 108.800 -0.261 0.000 2.459 360 G HA2 -0.088 3.873 3.960 0.001 0.000 0.217 360 G HA3 -0.088 3.873 3.960 0.001 0.000 0.217 360 G C 1.402 176.276 174.900 -0.043 0.000 1.183 360 G CA 0.872 45.896 45.100 -0.126 0.000 0.776 360 G HN 0.451 nan 8.290 nan 0.000 0.552 361 I N -0.141 120.427 120.570 -0.004 0.000 2.252 361 I HA -0.109 4.061 4.170 0.001 0.000 0.245 361 I C 2.467 178.468 176.117 -0.194 0.000 1.102 361 I CA 0.945 62.255 61.300 0.017 0.000 1.385 361 I CB -1.232 36.874 38.000 0.177 0.000 1.064 361 I HN 0.283 nan 8.210 nan 0.000 0.414 362 Y N 1.914 121.987 120.300 -0.378 0.000 2.151 362 Y HA -0.303 4.247 4.550 0.001 0.000 0.284 362 Y C 2.431 177.978 175.900 -0.589 0.000 1.166 362 Y CA 1.646 59.240 58.100 -0.843 0.000 1.163 362 Y CB -0.566 37.677 38.460 -0.361 0.000 0.974 362 Y HN -0.032 nan 8.280 nan 0.000 0.511 363 F N -0.711 118.969 119.950 -0.450 0.000 2.216 363 F HA -0.179 4.349 4.527 0.001 0.000 0.300 363 F C 2.418 177.995 175.800 -0.371 0.000 1.085 363 F CA 0.975 58.745 58.000 -0.383 0.000 1.326 363 F CB -1.271 37.690 39.000 -0.066 0.000 1.027 363 F HN -0.009 nan 8.300 nan 0.000 0.497 364 V N -0.133 119.694 119.914 -0.145 0.000 2.244 364 V HA -0.303 3.818 4.120 0.001 0.000 0.244 364 V C 2.263 178.199 176.094 -0.262 0.000 1.042 364 V CA 2.184 64.390 62.300 -0.157 0.000 1.006 364 V CB -1.284 30.465 31.823 -0.122 0.000 0.641 364 V HN 0.428 nan 8.190 nan 0.000 0.446 365 Y N 0.969 121.072 120.300 -0.328 0.000 2.373 365 Y HA 0.274 4.825 4.550 0.001 0.000 0.293 365 Y C 2.337 177.971 175.900 -0.443 0.000 1.129 365 Y CA 0.724 58.571 58.100 -0.421 0.000 1.226 365 Y CB -1.255 36.981 38.460 -0.373 0.000 1.000 365 Y HN 0.063 nan 8.280 nan 0.000 0.549 366 A N 1.699 124.185 122.820 -0.556 0.000 1.877 366 A HA -0.078 4.243 4.320 0.001 0.000 0.216 366 A C 2.521 180.011 177.584 -0.157 0.000 1.186 366 A CA 2.187 54.069 52.037 -0.259 0.000 0.620 366 A CB -1.390 17.318 19.000 -0.487 0.000 0.822 366 A HN 0.633 nan 8.150 nan 0.000 0.443 367 A N -0.410 122.299 122.820 -0.186 0.000 1.933 367 A HA -0.010 4.311 4.320 0.001 0.000 0.218 367 A C 2.165 179.761 177.584 0.019 0.000 1.175 367 A CA 1.459 53.450 52.037 -0.076 0.000 0.628 367 A CB -0.582 18.405 19.000 -0.022 0.000 0.814 367 A HN 0.471 nan 8.150 nan 0.000 0.444 368 L N -2.154 118.962 121.223 -0.178 0.000 2.083 368 L HA -0.189 4.151 4.340 0.001 0.000 0.209 368 L C 2.562 179.190 176.870 -0.404 0.000 1.083 368 L CA 1.734 56.374 54.840 -0.333 0.000 0.752 368 L CB -0.656 41.007 42.059 -0.660 0.000 0.899 368 L HN 0.607 nan 8.230 nan 0.000 0.433 369 Y N 0.708 120.655 120.300 -0.588 0.000 2.165 369 Y HA -0.298 4.253 4.550 0.001 0.000 0.286 369 Y C 2.744 178.598 175.900 -0.077 0.000 1.155 369 Y CA 1.612 59.494 58.100 -0.364 0.000 1.164 369 Y CB -0.026 38.137 38.460 -0.496 0.000 0.978 369 Y HN 0.170 nan 8.280 nan 0.000 0.513 370 Q N -0.268 119.583 119.800 0.086 0.000 2.167 370 Q HA -0.134 4.207 4.340 0.001 0.000 0.202 370 Q C 2.293 178.611 176.000 0.530 0.000 0.970 370 Q CA 1.271 57.213 55.803 0.232 0.000 0.855 370 Q CB -0.575 28.178 28.738 0.025 0.000 0.911 370 Q HN 0.537 nan 8.270 nan 0.000 0.438 371 L N 0.171 121.656 121.223 0.436 0.000 2.027 371 L HA -0.106 4.234 4.340 0.001 0.000 0.206 371 L C 2.161 179.194 176.870 0.271 0.000 1.074 371 L CA 1.412 56.406 54.840 0.256 0.000 0.745 371 L CB -0.734 41.318 42.059 -0.011 0.000 0.898 371 L HN -0.082 nan 8.230 nan 0.000 0.433 372 V N 0.087 120.093 119.914 0.153 0.000 2.407 372 V HA -0.306 3.814 4.120 0.001 0.000 0.248 372 V C 2.671 178.787 176.094 0.036 0.000 1.055 372 V CA 2.089 64.440 62.300 0.084 0.000 1.049 372 V CB -0.810 30.997 31.823 -0.027 0.000 0.662 372 V HN 0.544 nan 8.190 nan 0.000 0.455 373 K N -0.217 120.120 120.400 -0.105 0.000 2.097 373 K HA -0.193 4.128 4.320 0.001 0.000 0.206 373 K C 1.440 177.933 176.600 -0.178 0.000 1.049 373 K CA 1.732 57.884 56.287 -0.225 0.000 0.933 373 K CB -0.114 32.161 32.500 -0.375 0.000 0.717 373 K HN 0.623 nan 8.250 nan 0.000 0.442 374 H N -1.221 117.958 119.070 0.181 0.000 2.524 374 H HA 0.148 4.705 4.556 0.001 0.000 0.299 374 H C -0.972 174.517 175.328 0.269 0.000 1.074 374 H CA -0.618 55.577 56.048 0.245 0.000 1.115 374 H CB -0.198 29.789 29.762 0.376 0.000 1.522 374 H HN 0.012 nan 8.280 nan 0.000 0.543 375 F N 4.290 124.319 119.950 0.131 0.000 2.602 375 F HA 0.073 4.600 4.527 0.001 0.000 0.385 375 F C -1.694 174.183 175.800 0.128 0.000 1.063 375 F CA -2.160 55.890 58.000 0.083 0.000 1.233 375 F CB 0.562 39.565 39.000 0.005 0.000 1.067 375 F HN 0.171 nan 8.300 nan 0.000 0.564 376 P HA 0.254 nan 4.420 nan 0.000 0.281 376 P C -1.417 175.813 177.300 -0.117 0.000 1.281 376 P CA -0.458 62.575 63.100 -0.112 0.000 0.811 376 P CB 1.446 33.129 31.700 -0.029 0.000 1.154 377 D N -1.217 119.171 120.400 -0.020 0.000 2.627 377 D HA 0.246 4.887 4.640 0.001 0.000 0.259 377 D C 0.786 177.078 176.300 -0.013 0.000 1.164 377 D CA -0.628 53.374 54.000 0.005 0.000 1.087 377 D CB 0.357 41.179 40.800 0.036 0.000 1.217 377 D HN 0.113 nan 8.370 nan 0.000 0.630 378 K N -0.740 119.662 120.400 0.002 0.000 2.362 378 K HA -0.042 4.279 4.320 0.001 0.000 0.200 378 K C 1.734 178.339 176.600 0.009 0.000 1.046 378 K CA 1.090 57.379 56.287 0.003 0.000 0.952 378 K CB -0.146 32.359 32.500 0.009 0.000 0.753 378 K HN 0.455 nan 8.250 nan 0.000 0.466 379 S N 0.819 116.524 115.700 0.008 0.000 2.555 379 S HA -0.026 4.445 4.470 0.001 0.000 0.230 379 S C 0.720 175.320 174.600 0.000 0.000 0.978 379 S CA 0.014 58.217 58.200 0.005 0.000 0.934 379 S CB -0.617 62.586 63.200 0.003 0.000 0.766 379 S HN 0.311 nan 8.310 nan 0.000 0.533 380 L N 1.685 122.911 121.223 0.006 0.000 3.823 380 L HA -0.168 4.173 4.340 0.001 0.000 0.525 380 L C 0.222 177.067 176.870 -0.042 0.000 1.247 380 L CA 0.065 54.912 54.840 0.011 0.000 0.776 380 L CB -2.012 40.069 42.059 0.037 0.000 1.443 380 L HN 0.462 nan 8.230 nan 0.000 0.831 381 N N 2.292 120.970 118.700 -0.038 0.000 2.365 381 N HA 0.016 4.757 4.740 0.001 0.000 0.265 381 N C -1.033 174.403 175.510 -0.124 0.000 1.288 381 N CA -0.984 52.032 53.050 -0.056 0.000 0.869 381 N CB 1.108 39.580 38.487 -0.025 0.000 1.071 381 N HN 0.111 nan 8.380 nan 0.000 0.480 382 P HA -0.088 nan 4.420 nan 0.000 0.222 382 P C 1.355 178.539 177.300 -0.193 0.000 1.147 382 P CA 0.582 63.571 63.100 -0.186 0.000 0.790 382 P CB 0.334 31.959 31.700 -0.125 0.000 0.780 383 V N -0.149 119.694 119.914 -0.118 0.000 2.453 383 V HA -0.196 3.925 4.120 0.001 0.000 0.247 383 V C 2.578 178.632 176.094 -0.068 0.000 1.048 383 V CA 1.353 63.610 62.300 -0.073 0.000 1.049 383 V CB -1.230 30.580 31.823 -0.021 0.000 0.672 383 V HN 0.036 nan 8.190 nan 0.000 0.457 384 L N -0.051 121.127 121.223 -0.075 0.000 1.989 384 L HA -0.212 4.129 4.340 0.001 0.000 0.211 384 L C 2.662 179.364 176.870 -0.280 0.000 1.071 384 L CA 2.182 57.011 54.840 -0.018 0.000 0.749 384 L CB -1.327 40.757 42.059 0.042 0.000 0.890 384 L HN 0.323 nan 8.230 nan 0.000 0.431 385 T N -0.110 114.008 114.554 -0.727 0.000 2.788 385 T HA -0.157 4.193 4.350 0.001 0.000 0.268 385 T C 1.997 176.423 174.700 -0.458 0.000 1.044 385 T CA 1.344 62.738 62.100 -1.176 0.000 1.139 385 T CB -0.229 67.828 68.868 -1.353 0.000 0.867 385 T HN 0.461 nan 8.240 nan 0.000 0.454 386 A N 1.812 124.462 122.820 -0.283 0.000 1.898 386 A HA -0.063 4.258 4.320 0.001 0.000 0.216 386 A C 2.425 179.959 177.584 -0.084 0.000 1.181 386 A CA 0.925 52.876 52.037 -0.144 0.000 0.620 386 A CB -0.294 18.643 19.000 -0.104 0.000 0.819 386 A HN 0.187 nan 8.150 nan 0.000 0.442 387 R N -1.330 119.126 120.500 -0.074 0.000 2.081 387 R HA -0.097 4.243 4.340 0.001 0.000 0.235 387 R C 1.950 178.108 176.300 -0.237 0.000 1.131 387 R CA 1.446 57.509 56.100 -0.062 0.000 0.960 387 R CB -1.292 29.066 30.300 0.097 0.000 0.856 387 R HN 0.636 nan 8.270 nan 0.000 0.436 388 F N 2.808 122.422 119.950 -0.560 0.000 2.065 388 F HA -0.258 4.270 4.527 0.001 0.000 0.298 388 F C 1.915 177.626 175.800 -0.147 0.000 1.112 388 F CA 1.646 59.370 58.000 -0.459 0.000 1.212 388 F CB -0.325 38.640 39.000 -0.058 0.000 0.975 388 F HN -0.008 nan 8.300 nan 0.000 0.476 389 N N 0.546 119.316 118.700 0.116 0.000 2.104 389 N HA -0.236 4.505 4.740 0.001 0.000 0.190 389 N C 2.023 177.491 175.510 -0.070 0.000 1.024 389 N CA 1.602 54.682 53.050 0.049 0.000 0.853 389 N CB -0.599 37.928 38.487 0.067 0.000 1.008 389 N HN 0.378 nan 8.380 nan 0.000 0.424 390 R N 1.131 121.593 120.500 -0.063 0.000 2.092 390 R HA -0.052 4.288 4.340 0.001 0.000 0.231 390 R C 1.614 177.900 176.300 -0.023 0.000 1.119 390 R CA 1.046 57.128 56.100 -0.031 0.000 0.970 390 R CB 0.144 30.442 30.300 -0.004 0.000 0.864 390 R HN 0.156 nan 8.270 nan 0.000 0.440 391 E N 0.622 120.782 120.200 -0.067 0.000 2.077 391 E HA -0.190 4.161 4.350 0.001 0.000 0.193 391 E C 1.998 178.596 176.600 -0.003 0.000 0.989 391 E CA 0.947 57.363 56.400 0.026 0.000 0.800 391 E CB -0.114 29.552 29.700 -0.057 0.000 0.746 391 E HN 0.374 nan 8.360 nan 0.000 0.452 392 I N 1.461 121.888 120.570 -0.237 0.000 2.252 392 I HA -0.201 3.970 4.170 0.001 0.000 0.245 392 I C 2.552 178.613 176.117 -0.094 0.000 1.102 392 I CA 1.051 62.212 61.300 -0.232 0.000 1.385 392 I CB -1.178 36.599 38.000 -0.372 0.000 1.064 392 I HN 0.228 nan 8.210 nan 0.000 0.414 393 E N 0.965 121.132 120.200 -0.056 0.000 2.077 393 E HA -0.213 4.138 4.350 0.001 0.000 0.193 393 E C 1.975 178.609 176.600 0.057 0.000 0.989 393 E CA 2.105 58.511 56.400 0.010 0.000 0.800 393 E CB 0.057 29.757 29.700 -0.000 0.000 0.746 393 E HN 0.386 nan 8.360 nan 0.000 0.452 394 T N 1.677 116.253 114.554 0.037 0.000 2.777 394 T HA -0.163 4.188 4.350 0.001 0.000 0.266 394 T C 1.811 176.520 174.700 0.015 0.000 1.040 394 T CA 1.469 63.592 62.100 0.038 0.000 1.141 394 T CB -0.252 68.642 68.868 0.042 0.000 0.868 394 T HN 0.293 nan 8.240 nan 0.000 0.444 395 M N 0.159 119.742 119.600 -0.028 0.000 2.086 395 M HA -0.094 4.386 4.480 0.001 0.000 0.261 395 M C 2.078 178.385 176.300 0.011 0.000 1.067 395 M CA 1.809 57.051 55.300 -0.096 0.000 1.116 395 M CB -0.320 32.209 32.600 -0.118 0.000 1.348 395 M HN 0.271 nan 8.290 nan 0.000 0.407 396 F N 1.604 121.442 119.950 -0.187 0.000 2.060 396 F HA -0.221 4.306 4.527 0.001 0.000 0.295 396 F C 1.784 177.611 175.800 0.045 0.000 1.120 396 F CA 2.153 60.060 58.000 -0.154 0.000 1.205 396 F CB -0.553 38.301 39.000 -0.244 0.000 0.986 396 F HN 0.236 nan 8.300 nan 0.000 0.470 397 D N 0.386 120.823 120.400 0.062 0.000 2.123 397 D HA -0.188 4.453 4.640 0.001 0.000 0.196 397 D C 1.838 178.116 176.300 -0.038 0.000 0.992 397 D CA 1.623 55.612 54.000 -0.018 0.000 0.833 397 D CB -0.637 40.198 40.800 0.058 0.000 0.954 397 D HN 0.337 nan 8.370 nan 0.000 0.455 398 D N -0.205 120.237 120.400 0.070 0.000 2.144 398 D HA -0.088 4.553 4.640 0.001 0.000 0.199 398 D C 1.993 178.443 176.300 0.249 0.000 0.984 398 D CA 1.110 55.224 54.000 0.190 0.000 0.834 398 D CB -0.428 40.554 40.800 0.303 0.000 0.955 398 D HN 0.165 nan 8.370 nan 0.000 0.465 399 T N 0.426 115.169 114.554 0.314 0.000 2.777 399 T HA -0.136 4.215 4.350 0.001 0.000 0.266 399 T C 1.889 176.591 174.700 0.002 0.000 1.040 399 T CA 0.865 63.176 62.100 0.350 0.000 1.141 399 T CB 0.010 69.227 68.868 0.582 0.000 0.868 399 T HN 0.144 nan 8.240 nan 0.000 0.444 400 R N 1.138 121.488 120.500 -0.250 0.000 2.096 400 R HA -0.184 4.157 4.340 0.001 0.000 0.240 400 R C 1.775 178.011 176.300 -0.106 0.000 1.139 400 R CA 2.139 58.074 56.100 -0.275 0.000 0.952 400 R CB -0.427 29.620 30.300 -0.421 0.000 0.854 400 R HN 0.282 nan 8.270 nan 0.000 0.436 401 D N -0.115 120.235 120.400 -0.082 0.000 2.097 401 D HA -0.177 4.464 4.640 0.001 0.000 0.195 401 D C 1.609 177.935 176.300 0.044 0.000 0.989 401 D CA 1.102 55.080 54.000 -0.038 0.000 0.827 401 D CB -0.460 40.335 40.800 -0.008 0.000 0.966 401 D HN 0.196 nan 8.370 nan 0.000 0.456 402 F N 1.388 121.237 119.950 -0.168 0.000 2.102 402 F HA -0.109 4.419 4.527 0.002 0.000 0.298 402 F C 2.194 177.931 175.800 -0.106 0.000 1.105 402 F CA 0.945 58.782 58.000 -0.273 0.000 1.239 402 F CB -0.491 38.007 39.000 -0.836 0.000 0.991 402 F HN -0.118 nan 8.300 nan 0.000 0.474 403 I N 0.128 120.563 120.570 -0.226 0.000 2.127 403 I HA -0.376 3.795 4.170 0.001 0.000 0.241 403 I C 2.600 178.731 176.117 0.023 0.000 1.075 403 I CA 1.880 62.995 61.300 -0.308 0.000 1.334 403 I CB -0.750 37.147 38.000 -0.171 0.000 1.040 403 I HN 0.265 nan 8.210 nan 0.000 0.405 404 Q N 1.161 121.031 119.800 0.117 0.000 2.133 404 Q HA -0.295 4.046 4.340 0.001 0.000 0.208 404 Q C 2.206 178.351 176.000 0.241 0.000 0.991 404 Q CA 2.410 58.352 55.803 0.231 0.000 0.867 404 Q CB -0.205 28.611 28.738 0.130 0.000 0.911 404 Q HN 0.562 nan 8.270 nan 0.000 0.417 405 A N -0.162 122.734 122.820 0.127 0.000 2.019 405 A HA -0.214 4.107 4.320 0.001 0.000 0.219 405 A C 1.446 179.093 177.584 0.106 0.000 1.164 405 A CA 1.654 53.795 52.037 0.174 0.000 0.644 405 A CB -0.805 18.270 19.000 0.125 0.000 0.805 405 A HN 0.589 nan 8.150 nan 0.000 0.449 406 H N -1.680 117.221 119.070 -0.282 0.000 2.421 406 H HA -0.037 4.520 4.556 0.001 0.000 0.298 406 H C 1.417 176.642 175.328 -0.172 0.000 1.087 406 H CA 1.897 57.653 56.048 -0.487 0.000 1.330 406 H CB -0.292 28.916 29.762 -0.923 0.000 1.388 406 H HN 0.618 nan 8.280 nan 0.000 0.526 407 F N -2.058 118.132 119.950 0.400 0.000 2.317 407 F HA 0.013 4.541 4.527 0.002 0.000 0.290 407 F C 2.194 178.139 175.800 0.242 0.000 1.075 407 F CA 0.229 58.488 58.000 0.433 0.000 1.380 407 F CB -0.827 38.294 39.000 0.202 0.000 1.093 407 F HN 0.021 nan 8.300 nan 0.000 0.524 408 Y N -0.224 120.157 120.300 0.136 0.000 2.165 408 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 408 Y C 1.602 177.294 175.900 -0.346 0.000 1.155 408 Y CA 1.712 59.695 58.100 -0.196 0.000 1.164 408 Y CB -0.511 37.691 38.460 -0.429 0.000 0.978 408 Y HN -0.004 nan 8.280 nan 0.000 0.513 409 F N -0.849 119.189 119.950 0.146 0.000 2.727 409 F HA 0.199 4.727 4.527 0.002 0.000 0.302 409 F C 1.346 177.134 175.800 -0.019 0.000 1.097 409 F CA 0.201 58.202 58.000 0.001 0.000 1.330 409 F CB -0.508 38.461 39.000 -0.053 0.000 1.084 409 F HN -0.211 nan 8.300 nan 0.000 0.578 410 S N 2.883 118.704 115.700 0.201 0.000 2.552 410 S HA 0.021 4.492 4.470 0.001 0.000 0.289 410 S C -1.118 173.508 174.600 0.044 0.000 1.304 410 S CA -1.049 57.241 58.200 0.149 0.000 1.063 410 S CB 0.706 64.047 63.200 0.236 0.000 0.848 410 S HN 0.003 nan 8.310 nan 0.000 0.499 411 P HA 0.025 nan 4.420 nan 0.000 0.241 411 P C -0.099 177.156 177.300 -0.074 0.000 1.191 411 P CA 0.268 63.346 63.100 -0.037 0.000 0.771 411 P CB 0.058 31.736 31.700 -0.036 0.000 0.929 412 R N 0.505 120.912 120.500 -0.154 0.000 2.537 412 R HA 0.201 4.542 4.340 0.001 0.000 0.280 412 R C 1.056 177.333 176.300 -0.038 0.000 1.058 412 R CA 0.915 56.879 56.100 -0.227 0.000 1.057 412 R CB -0.023 29.852 30.300 -0.708 0.000 0.973 412 R HN 0.118 nan 8.270 nan 0.000 0.438 413 T N -3.147 111.399 114.554 -0.013 0.000 3.209 413 T HA 0.001 4.351 4.350 0.001 0.000 0.295 413 T C 0.639 175.382 174.700 0.072 0.000 0.977 413 T CA -0.396 61.733 62.100 0.048 0.000 0.922 413 T CB 0.146 69.021 68.868 0.012 0.000 1.152 413 T HN 0.630 nan 8.240 nan 0.000 0.527 414 D N 1.931 122.376 120.400 0.075 0.000 2.289 414 D HA -0.012 4.628 4.640 0.001 0.000 0.207 414 D C 0.979 177.363 176.300 0.140 0.000 0.966 414 D CA 0.658 54.704 54.000 0.077 0.000 0.868 414 D CB -0.122 40.694 40.800 0.028 0.000 0.943 414 D HN 0.586 nan 8.370 nan 0.000 0.514 415 T N -3.987 110.712 114.554 0.241 0.000 2.901 415 T HA 0.432 4.783 4.350 0.001 0.000 0.293 415 T C -2.393 172.385 174.700 0.130 0.000 1.084 415 T CA -1.764 60.462 62.100 0.211 0.000 1.008 415 T CB 2.495 71.531 68.868 0.279 0.000 1.170 415 T HN -0.413 nan 8.240 nan 0.000 0.509 416 P HA -0.034 nan 4.420 nan 0.000 0.216 416 P C 1.177 178.247 177.300 -0.382 0.000 1.150 416 P CA 0.729 63.839 63.100 0.016 0.000 0.843 416 P CB -0.118 31.721 31.700 0.231 0.000 0.787 417 F N -1.161 118.359 119.950 -0.717 0.000 2.075 417 F HA -0.141 4.387 4.527 0.001 0.000 0.297 417 F C 1.861 177.221 175.800 -0.733 0.000 1.113 417 F CA 1.375 58.662 58.000 -1.189 0.000 1.218 417 F CB -0.981 37.498 39.000 -0.868 0.000 0.984 417 F HN -0.148 nan 8.300 nan 0.000 0.472 418 W N 0.903 122.068 121.300 -0.225 0.000 2.374 418 W HA -0.076 4.585 4.660 0.001 0.000 0.288 418 W C 2.559 178.921 176.519 -0.260 0.000 1.218 418 W CA 1.265 58.474 57.345 -0.226 0.000 1.245 418 W CB -0.431 29.026 29.460 -0.005 0.000 1.126 418 W HN -0.117 nan 8.180 nan 0.000 0.545 419 R N -0.139 120.340 120.500 -0.035 0.000 2.115 419 R HA -0.025 4.316 4.340 0.001 0.000 0.226 419 R C 2.312 178.527 176.300 -0.142 0.000 1.100 419 R CA 1.271 57.335 56.100 -0.059 0.000 0.980 419 R CB -0.759 29.531 30.300 -0.016 0.000 0.875 419 R HN 0.153 nan 8.270 nan 0.000 0.445 420 A N 1.502 124.160 122.820 -0.271 0.000 1.968 420 A HA -0.107 4.214 4.320 0.001 0.000 0.217 420 A C 1.707 179.168 177.584 -0.206 0.000 1.169 420 A CA 0.941 52.862 52.037 -0.194 0.000 0.638 420 A CB -0.326 18.575 19.000 -0.165 0.000 0.812 420 A HN 0.224 nan 8.150 nan 0.000 0.446 421 N N 0.349 118.828 118.700 -0.368 0.000 2.192 421 N HA -0.156 4.585 4.740 0.001 0.000 0.188 421 N C 1.390 176.841 175.510 -0.097 0.000 1.013 421 N CA 1.437 54.339 53.050 -0.246 0.000 0.863 421 N CB -0.234 38.066 38.487 -0.313 0.000 0.990 421 N HN 0.568 nan 8.380 nan 0.000 0.430 422 K N 0.557 120.851 120.400 -0.177 0.000 2.432 422 K HA 0.015 4.336 4.320 0.001 0.000 0.196 422 K C 1.037 177.558 176.600 -0.131 0.000 1.038 422 K CA 0.530 56.634 56.287 -0.304 0.000 0.986 422 K CB 0.272 32.603 32.500 -0.282 0.000 0.782 422 K HN 0.088 nan 8.250 nan 0.000 0.485 423 E N 0.505 120.677 120.200 -0.047 0.000 2.447 423 E HA 0.079 4.430 4.350 0.001 0.000 0.195 423 E C 0.504 177.133 176.600 0.049 0.000 1.028 423 E CA 0.187 56.590 56.400 0.006 0.000 0.876 423 E CB 0.195 29.896 29.700 0.002 0.000 0.885 423 E HN 0.260 nan 8.360 nan 0.000 0.500 424 L N 1.280 122.548 121.223 0.076 0.000 2.453 424 L HA 0.196 4.537 4.340 0.001 0.000 0.261 424 L C 0.947 177.885 176.870 0.113 0.000 1.179 424 L CA -0.196 54.684 54.840 0.065 0.000 0.813 424 L CB 0.509 42.596 42.059 0.046 0.000 1.110 424 L HN -0.249 nan 8.230 nan 0.000 0.466 425 R N 1.540 122.051 120.500 0.018 0.000 2.404 425 R HA 0.457 4.797 4.340 0.001 0.000 0.291 425 R C -0.706 175.579 176.300 -0.026 0.000 1.025 425 R CA -0.786 55.312 56.100 -0.003 0.000 0.991 425 R CB 0.972 31.277 30.300 0.008 0.000 1.053 425 R HN 0.462 nan 8.270 nan 0.000 0.479 426 L N 2.262 123.366 121.223 -0.198 0.000 2.426 426 L HA 0.182 4.523 4.340 0.001 0.000 0.271 426 L C 0.896 177.763 176.870 -0.006 0.000 1.169 426 L CA -0.299 54.435 54.840 -0.176 0.000 0.836 426 L CB 0.815 42.667 42.059 -0.345 0.000 1.112 426 L HN 0.695 nan 8.230 nan 0.000 0.465 427 A N 2.042 124.844 122.820 -0.029 0.000 2.466 427 A HA 0.024 4.344 4.320 0.001 0.000 0.238 427 A C 0.868 178.437 177.584 -0.025 0.000 1.074 427 A CA -0.373 51.647 52.037 -0.027 0.000 0.774 427 A CB 0.149 19.037 19.000 -0.187 0.000 1.015 427 A HN 0.861 nan 8.150 nan 0.000 0.498 428 D N 1.868 122.268 120.400 -0.001 0.000 2.126 428 D HA -0.171 4.470 4.640 0.001 0.000 0.190 428 D C 2.069 178.362 176.300 -0.012 0.000 1.001 428 D CA 2.262 56.261 54.000 -0.002 0.000 0.841 428 D CB -0.652 40.153 40.800 0.008 0.000 0.949 428 D HN 0.714 nan 8.370 nan 0.000 0.446 429 G N 0.194 108.986 108.800 -0.014 0.000 2.440 429 G HA2 -0.288 3.673 3.960 0.001 0.000 0.218 429 G HA3 -0.288 3.673 3.960 0.001 0.000 0.218 429 G C 1.571 176.456 174.900 -0.024 0.000 1.154 429 G CA 1.130 46.223 45.100 -0.012 0.000 0.767 429 G HN 0.171 nan 8.290 nan 0.000 0.552 430 M N -0.009 119.571 119.600 -0.033 0.000 2.156 430 M HA 0.078 4.559 4.480 0.001 0.000 0.264 430 M C 2.421 178.697 176.300 -0.040 0.000 1.067 430 M CA 1.521 56.800 55.300 -0.034 0.000 1.131 430 M CB -0.367 32.208 32.600 -0.041 0.000 1.368 430 M HN 0.257 nan 8.290 nan 0.000 0.416 431 Q N 0.453 120.231 119.800 -0.036 0.000 2.124 431 Q HA -0.200 4.141 4.340 0.001 0.000 0.202 431 Q C 1.939 177.929 176.000 -0.016 0.000 0.977 431 Q CA 2.208 58.000 55.803 -0.017 0.000 0.850 431 Q CB -0.397 28.333 28.738 -0.013 0.000 0.901 431 Q HN 0.712 nan 8.270 nan 0.000 0.429 432 E N -0.276 119.909 120.200 -0.024 0.000 2.077 432 E HA -0.213 4.137 4.350 0.001 0.000 0.193 432 E C 1.704 178.273 176.600 -0.052 0.000 0.989 432 E CA 1.210 57.593 56.400 -0.028 0.000 0.800 432 E CB 0.056 29.743 29.700 -0.021 0.000 0.746 432 E HN 0.333 nan 8.360 nan 0.000 0.452 433 K N 0.187 120.535 120.400 -0.088 0.000 2.057 433 K HA -0.136 4.185 4.320 0.001 0.000 0.207 433 K C 2.138 178.645 176.600 -0.154 0.000 1.049 433 K CA 1.083 57.269 56.287 -0.167 0.000 0.931 433 K CB -0.044 32.279 32.500 -0.295 0.000 0.714 433 K HN 0.180 nan 8.250 nan 0.000 0.440 434 I N 2.052 122.553 120.570 -0.114 0.000 2.226 434 I HA -0.247 3.924 4.170 0.001 0.000 0.245 434 I C 1.641 177.748 176.117 -0.017 0.000 1.100 434 I CA 1.555 62.806 61.300 -0.081 0.000 1.374 434 I CB -1.088 36.916 38.000 0.008 0.000 1.057 434 I HN 0.161 nan 8.210 nan 0.000 0.413 435 D N 0.613 121.004 120.400 -0.014 0.000 2.116 435 D HA -0.211 4.429 4.640 0.001 0.000 0.193 435 D C 2.371 178.652 176.300 -0.031 0.000 0.998 435 D CA 1.397 55.389 54.000 -0.014 0.000 0.836 435 D CB -0.208 40.586 40.800 -0.011 0.000 0.951 435 D HN 0.290 nan 8.370 nan 0.000 0.449 436 M N -0.945 118.635 119.600 -0.034 0.000 2.086 436 M HA -0.173 4.308 4.480 0.001 0.000 0.261 436 M C 2.170 178.442 176.300 -0.046 0.000 1.067 436 M CA 1.139 56.418 55.300 -0.035 0.000 1.116 436 M CB -0.365 32.216 32.600 -0.032 0.000 1.348 436 M HN 0.065 nan 8.290 nan 0.000 0.407 437 Y N 1.180 121.359 120.300 -0.203 0.000 2.165 437 Y HA -0.212 4.338 4.550 0.001 0.000 0.286 437 Y C 2.322 178.047 175.900 -0.292 0.000 1.155 437 Y CA 1.720 59.652 58.100 -0.280 0.000 1.164 437 Y CB -0.153 38.070 38.460 -0.396 0.000 0.978 437 Y HN 0.047 nan 8.280 nan 0.000 0.513 438 R N -0.148 120.230 120.500 -0.202 0.000 2.152 438 R HA -0.079 4.262 4.340 0.001 0.000 0.232 438 R C 2.050 178.201 176.300 -0.248 0.000 1.117 438 R CA 0.952 56.894 56.100 -0.262 0.000 0.981 438 R CB -0.440 29.793 30.300 -0.111 0.000 0.870 438 R HN 0.416 nan 8.270 nan 0.000 0.451 439 A N -0.109 122.602 122.820 -0.182 0.000 2.251 439 A HA 0.266 4.587 4.320 0.001 0.000 0.209 439 A C 1.320 178.812 177.584 -0.152 0.000 1.187 439 A CA 0.679 52.636 52.037 -0.133 0.000 0.823 439 A CB 0.150 19.104 19.000 -0.077 0.000 0.846 439 A HN 0.424 nan 8.150 nan 0.000 0.486 440 G N -1.373 107.277 108.800 -0.250 0.000 2.157 440 G HA2 -0.240 3.721 3.960 0.001 0.000 0.239 440 G HA3 -0.240 3.721 3.960 0.001 0.000 0.239 440 G C 0.197 175.002 174.900 -0.158 0.000 0.982 440 G CA 0.286 45.217 45.100 -0.281 0.000 0.650 440 G HN 0.393 nan 8.290 nan 0.000 0.527 441 M N 1.057 120.630 119.600 -0.044 0.000 2.242 441 M HA 0.550 5.031 4.480 0.001 0.000 0.344 441 M C 1.079 177.530 176.300 0.252 0.000 1.140 441 M CA 0.229 55.600 55.300 0.118 0.000 1.160 441 M CB 1.014 33.647 32.600 0.055 0.000 1.491 441 M HN 0.465 nan 8.290 nan 0.000 0.459 442 A N 3.338 126.379 122.820 0.370 0.000 2.462 442 A HA 0.426 4.747 4.320 0.001 0.000 0.243 442 A C -0.290 177.398 177.584 0.174 0.000 1.076 442 A CA -0.188 52.038 52.037 0.314 0.000 0.773 442 A CB -0.190 18.913 19.000 0.171 0.000 1.010 442 A HN 0.807 nan 8.150 nan 0.000 0.493 443 I N 2.455 123.116 120.570 0.151 0.000 2.328 443 I HA 0.179 4.349 4.170 0.001 0.000 0.287 443 I C -0.264 175.909 176.117 0.093 0.000 1.012 443 I CA -0.438 60.864 61.300 0.004 0.000 1.195 443 I CB 0.685 38.503 38.000 -0.304 0.000 1.350 443 I HN 0.727 nan 8.210 nan 0.000 0.464 444 N N 4.139 122.890 118.700 0.085 0.000 2.705 444 N HA -0.190 4.551 4.740 0.001 0.000 0.255 444 N C 0.047 175.636 175.510 0.131 0.000 1.008 444 N CA 0.788 53.910 53.050 0.119 0.000 0.742 444 N CB -0.945 37.639 38.487 0.161 0.000 0.906 444 N HN 0.783 nan 8.380 nan 0.000 0.541 445 A N 0.625 123.520 122.820 0.125 0.000 2.567 445 A HA 0.246 4.567 4.320 0.001 0.000 0.240 445 A C -1.288 176.375 177.584 0.132 0.000 1.053 445 A CA -0.497 51.622 52.037 0.137 0.000 0.755 445 A CB 0.031 19.139 19.000 0.180 0.000 0.978 445 A HN 0.226 nan 8.150 nan 0.000 0.507 446 P HA 0.114 nan 4.420 nan 0.000 0.266 446 P C 0.745 178.123 177.300 0.130 0.000 1.195 446 P CA 0.625 63.772 63.100 0.077 0.000 0.768 446 P CB 0.891 32.543 31.700 -0.080 0.000 0.838 447 A N 2.681 125.553 122.820 0.086 0.000 2.019 447 A HA -0.056 4.265 4.320 0.001 0.000 0.219 447 A C 1.306 178.882 177.584 -0.014 0.000 1.164 447 A CA 1.427 53.482 52.037 0.030 0.000 0.644 447 A CB -0.400 18.621 19.000 0.035 0.000 0.805 447 A HN 0.590 nan 8.150 nan 0.000 0.449 448 S N -0.934 114.791 115.700 0.041 0.000 2.536 448 S HA 0.409 4.880 4.470 0.001 0.000 0.287 448 S C -0.226 174.442 174.600 0.113 0.000 1.101 448 S CA -0.132 58.088 58.200 0.034 0.000 0.950 448 S CB 1.379 64.602 63.200 0.037 0.000 1.056 448 S HN 0.408 nan 8.310 nan 0.000 0.481 449 D N 1.895 122.397 120.400 0.169 0.000 2.325 449 D HA 0.042 4.683 4.640 0.001 0.000 0.225 449 D C -0.028 176.301 176.300 0.049 0.000 1.096 449 D CA -0.136 53.955 54.000 0.152 0.000 0.844 449 D CB -0.071 40.899 40.800 0.284 0.000 0.925 449 D HN 0.401 nan 8.370 nan 0.000 0.513 450 D N 0.394 120.821 120.400 0.046 0.000 2.348 450 D HA 0.236 4.877 4.640 0.001 0.000 0.253 450 D C 1.041 177.374 176.300 0.055 0.000 1.161 450 D CA -0.064 53.963 54.000 0.046 0.000 0.876 450 D CB 1.872 42.702 40.800 0.050 0.000 1.160 450 D HN 0.098 nan 8.370 nan 0.000 0.459 451 A N 4.304 127.167 122.820 0.071 0.000 1.858 451 A HA -0.230 4.091 4.320 0.001 0.000 0.216 451 A C 1.987 179.676 177.584 0.175 0.000 1.190 451 A CA 1.451 53.564 52.037 0.127 0.000 0.617 451 A CB -0.452 18.635 19.000 0.145 0.000 0.827 451 A HN 0.743 nan 8.150 nan 0.000 0.443 452 Q N -0.521 119.362 119.800 0.139 0.000 2.050 452 Q HA -0.099 4.242 4.340 0.001 0.000 0.202 452 Q C 2.109 178.185 176.000 0.127 0.000 0.980 452 Q CA 1.550 57.435 55.803 0.136 0.000 0.840 452 Q CB -0.330 28.468 28.738 0.099 0.000 0.898 452 Q HN 0.697 nan 8.270 nan 0.000 0.424 453 L N -0.845 120.443 121.223 0.108 0.000 2.131 453 L HA -0.218 4.123 4.340 0.001 0.000 0.210 453 L C 2.197 179.129 176.870 0.104 0.000 1.092 453 L CA 1.144 56.042 54.840 0.096 0.000 0.759 453 L CB -0.492 41.616 42.059 0.081 0.000 0.903 453 L HN 0.295 nan 8.230 nan 0.000 0.435 454 Y N -0.246 120.024 120.300 -0.050 0.000 2.134 454 Y HA -0.210 4.340 4.550 0.001 0.000 0.283 454 Y C 2.194 178.024 175.900 -0.116 0.000 1.108 454 Y CA 1.397 59.403 58.100 -0.158 0.000 1.096 454 Y CB -0.333 37.925 38.460 -0.336 0.000 1.005 454 Y HN -0.037 nan 8.280 nan 0.000 0.487 455 Y N -0.155 120.216 120.300 0.118 0.000 2.578 455 Y HA 0.164 4.715 4.550 0.001 0.000 0.297 455 Y C 2.029 177.964 175.900 0.057 0.000 1.176 455 Y CA 0.604 58.725 58.100 0.036 0.000 1.315 455 Y CB -0.374 38.132 38.460 0.076 0.000 1.031 455 Y HN 0.269 nan 8.280 nan 0.000 0.524 456 G N -1.209 107.699 108.800 0.181 0.000 2.848 456 G HA2 -0.059 3.902 3.960 0.001 0.000 0.213 456 G HA3 -0.059 3.902 3.960 0.001 0.000 0.213 456 G C 0.193 175.175 174.900 0.136 0.000 1.101 456 G CA -0.140 45.055 45.100 0.158 0.000 0.778 456 G HN 0.135 nan 8.290 nan 0.000 0.536 457 N N 0.123 118.878 118.700 0.093 0.000 2.564 457 N HA 0.197 4.938 4.740 0.001 0.000 0.248 457 N C -0.016 175.524 175.510 0.049 0.000 0.986 457 N CA -0.780 52.323 53.050 0.089 0.000 0.921 457 N CB 1.277 39.805 38.487 0.068 0.000 1.136 457 N HN -0.045 nan 8.380 nan 0.000 0.509 458 F N 3.375 123.294 119.950 -0.051 0.000 2.134 458 F HA -0.108 4.419 4.527 0.001 0.000 0.299 458 F C 2.080 177.791 175.800 -0.148 0.000 1.097 458 F CA 1.499 59.413 58.000 -0.144 0.000 1.264 458 F CB 0.325 39.123 39.000 -0.338 0.000 1.001 458 F HN 0.557 nan 8.300 nan 0.000 0.479 459 E N 0.622 120.785 120.200 -0.062 0.000 2.058 459 E HA -0.279 4.071 4.350 0.001 0.000 0.194 459 E C 2.105 178.689 176.600 -0.028 0.000 0.997 459 E CA 1.773 58.170 56.400 -0.004 0.000 0.801 459 E CB -0.354 29.427 29.700 0.136 0.000 0.746 459 E HN 0.504 nan 8.360 nan 0.000 0.450 460 E N 0.426 120.601 120.200 -0.041 0.000 2.058 460 E HA -0.233 4.118 4.350 0.001 0.000 0.194 460 E C 2.002 178.503 176.600 -0.165 0.000 0.997 460 E CA 1.782 58.153 56.400 -0.047 0.000 0.801 460 E CB -0.191 29.494 29.700 -0.025 0.000 0.746 460 E HN 0.389 nan 8.360 nan 0.000 0.450 461 E N -1.205 118.773 120.200 -0.371 0.000 2.107 461 E HA -0.152 4.198 4.350 0.001 0.000 0.191 461 E C 1.812 178.214 176.600 -0.331 0.000 0.982 461 E CA 0.726 56.760 56.400 -0.611 0.000 0.809 461 E CB -0.205 29.032 29.700 -0.771 0.000 0.756 461 E HN 0.379 nan 8.360 nan 0.000 0.459 462 F N 1.535 121.157 119.950 -0.546 0.000 2.146 462 F HA -0.093 4.434 4.527 0.001 0.000 0.298 462 F C 2.217 177.936 175.800 -0.135 0.000 1.096 462 F CA 1.346 59.105 58.000 -0.402 0.000 1.275 462 F CB 0.103 38.783 39.000 -0.532 0.000 1.008 462 F HN -0.126 nan 8.300 nan 0.000 0.480 463 R N -0.422 120.125 120.500 0.078 0.000 2.152 463 R HA -0.148 4.193 4.340 0.001 0.000 0.232 463 R C 0.528 176.838 176.300 0.016 0.000 1.117 463 R CA 1.416 57.559 56.100 0.071 0.000 0.981 463 R CB -0.473 29.890 30.300 0.104 0.000 0.870 463 R HN 0.232 nan 8.270 nan 0.000 0.451 464 N N -0.321 118.385 118.700 0.010 0.000 2.553 464 N HA 0.070 4.811 4.740 0.001 0.000 0.298 464 N C -0.059 175.482 175.510 0.052 0.000 1.596 464 N CA -0.212 52.884 53.050 0.076 0.000 0.910 464 N CB 0.186 38.773 38.487 0.166 0.000 1.336 464 N HN -0.047 nan 8.380 nan 0.000 0.497 465 F N 0.083 119.869 119.950 -0.272 0.000 2.075 465 F HA 0.110 4.638 4.527 0.001 0.000 0.297 465 F C -0.089 175.365 175.800 -0.575 0.000 1.113 465 F CA 1.403 59.090 58.000 -0.522 0.000 1.218 465 F CB 0.178 38.700 39.000 -0.796 0.000 0.984 465 F HN 0.119 nan 8.300 nan 0.000 0.472 466 W N 2.096 123.280 121.300 -0.193 0.000 2.314 466 W HA 0.282 4.942 4.660 0.001 0.000 0.310 466 W C -0.310 176.108 176.519 -0.168 0.000 1.075 466 W CA -0.972 56.081 57.345 -0.486 0.000 1.253 466 W CB 0.349 29.334 29.460 -0.792 0.000 1.238 466 W HN 0.014 nan 8.180 nan 0.000 0.440 467 N N 0.344 119.064 118.700 0.032 0.000 2.531 467 N HA 0.287 5.028 4.740 0.001 0.000 0.290 467 N C 0.581 176.243 175.510 0.253 0.000 1.257 467 N CA -0.786 52.353 53.050 0.148 0.000 0.863 467 N CB 0.472 38.964 38.487 0.007 0.000 1.320 467 N HN 0.302 nan 8.380 nan 0.000 0.538 468 N N -0.304 118.554 118.700 0.262 0.000 2.069 468 N HA -0.252 4.489 4.740 0.001 0.000 0.196 468 N C 0.865 176.555 175.510 0.301 0.000 1.024 468 N CA 2.284 55.526 53.050 0.319 0.000 0.869 468 N CB -0.230 38.386 38.487 0.214 0.000 1.035 468 N HN 0.547 nan 8.380 nan 0.000 0.434 469 S N -0.080 115.727 115.700 0.179 0.000 2.359 469 S HA -0.148 4.323 4.470 0.001 0.000 0.224 469 S C 1.578 176.329 174.600 0.251 0.000 1.035 469 S CA 1.625 59.986 58.200 0.267 0.000 1.018 469 S CB -0.774 62.566 63.200 0.234 0.000 0.876 469 S HN 0.555 nan 8.310 nan 0.000 0.448 470 N N 0.403 119.168 118.700 0.108 0.000 2.104 470 N HA -0.125 4.616 4.740 0.001 0.000 0.190 470 N C 1.539 176.910 175.510 -0.231 0.000 1.024 470 N CA 1.586 54.570 53.050 -0.110 0.000 0.853 470 N CB -0.365 38.016 38.487 -0.178 0.000 1.008 470 N HN 0.392 nan 8.380 nan 0.000 0.424 471 Y N -0.398 119.878 120.300 -0.040 0.000 2.200 471 Y HA -0.133 4.418 4.550 0.001 0.000 0.290 471 Y C 1.915 177.616 175.900 -0.331 0.000 1.137 471 Y CA 1.036 59.049 58.100 -0.145 0.000 1.163 471 Y CB -0.586 37.760 38.460 -0.190 0.000 0.988 471 Y HN 0.096 nan 8.280 nan 0.000 0.518 472 Y N -1.338 118.877 120.300 -0.143 0.000 2.181 472 Y HA -0.274 4.277 4.550 0.002 0.000 0.288 472 Y C 2.671 178.233 175.900 -0.563 0.000 1.146 472 Y CA 1.246 59.073 58.100 -0.455 0.000 1.164 472 Y CB -0.799 37.215 38.460 -0.744 0.000 0.982 472 Y HN 0.140 nan 8.280 nan 0.000 0.515 473 C N -1.157 118.130 119.300 -0.022 0.000 2.393 473 C HA -0.204 4.257 4.460 0.001 0.000 0.276 473 C C 2.755 177.577 174.990 -0.280 0.000 1.215 473 C CA 1.271 60.319 59.018 0.051 0.000 1.743 473 C CB -1.235 26.495 27.740 -0.017 0.000 2.044 473 C HN 0.357 nan 8.230 nan 0.000 0.464 474 V N 0.503 120.125 119.914 -0.487 0.000 2.283 474 V HA -0.148 3.973 4.120 0.001 0.000 0.243 474 V C 2.277 177.910 176.094 -0.769 0.000 1.039 474 V CA 1.767 63.620 62.300 -0.745 0.000 1.016 474 V CB -0.625 30.531 31.823 -1.112 0.000 0.650 474 V HN 0.519 nan 8.190 nan 0.000 0.449 475 L N 0.204 121.004 121.223 -0.704 0.000 1.988 475 L HA -0.081 4.260 4.340 0.001 0.000 0.207 475 L C 2.799 179.317 176.870 -0.586 0.000 1.071 475 L CA 1.634 56.026 54.840 -0.746 0.000 0.744 475 L CB -0.962 40.427 42.059 -1.117 0.000 0.893 475 L HN 0.329 nan 8.230 nan 0.000 0.433 476 A N 0.566 123.081 122.820 -0.509 0.000 1.908 476 A HA -0.156 4.165 4.320 0.001 0.000 0.218 476 A C 2.401 179.754 177.584 -0.385 0.000 1.181 476 A CA 1.821 53.674 52.037 -0.307 0.000 0.627 476 A CB -1.421 17.401 19.000 -0.296 0.000 0.818 476 A HN 0.472 nan 8.150 nan 0.000 0.445 477 G N -0.047 108.363 108.800 -0.650 0.000 2.529 477 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 477 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 477 G C 1.482 175.595 174.900 -1.312 0.000 1.177 477 G CA 1.234 45.537 45.100 -1.328 0.000 0.773 477 G HN 0.468 nan 8.290 nan 0.000 0.573 478 L N 0.122 120.747 121.223 -0.997 0.000 2.395 478 L HA 0.235 4.575 4.340 0.001 0.000 0.218 478 L C 2.195 178.903 176.870 -0.271 0.000 1.130 478 L CA 0.677 55.208 54.840 -0.515 0.000 0.826 478 L CB 0.080 41.936 42.059 -0.339 0.000 0.941 478 L HN 0.500 nan 8.230 nan 0.000 0.451 479 G N 0.068 108.708 108.800 -0.267 0.000 2.184 479 G HA2 -0.235 3.725 3.960 0.001 0.000 0.206 479 G HA3 -0.235 3.725 3.960 0.001 0.000 0.206 479 G C -0.132 174.706 174.900 -0.104 0.000 0.995 479 G CA -0.263 44.764 45.100 -0.121 0.000 0.651 479 G HN 0.110 nan 8.290 nan 0.000 0.511 480 L N 2.380 123.486 121.223 -0.194 0.000 2.315 480 L HA 0.680 5.021 4.340 0.001 0.000 0.283 480 L C 0.603 177.393 176.870 -0.133 0.000 1.089 480 L CA -0.444 54.272 54.840 -0.207 0.000 0.833 480 L CB 1.217 42.986 42.059 -0.482 0.000 1.170 480 L HN 0.688 nan 8.230 nan 0.000 0.442 481 V N 3.219 123.041 119.914 -0.152 0.000 3.074 481 V HA 0.790 4.910 4.120 0.001 0.000 0.314 481 V C -2.519 173.183 176.094 -0.653 0.000 1.117 481 V CA -2.325 59.721 62.300 -0.424 0.000 1.014 481 V CB 1.255 32.876 31.823 -0.337 0.000 1.057 481 V HN 0.634 nan 8.190 nan 0.000 0.438 482 P HA 0.234 nan 4.420 nan 0.000 0.271 482 P C -0.141 176.950 177.300 -0.348 0.000 1.233 482 P CA 0.003 62.604 63.100 -0.832 0.000 0.789 482 P CB 0.443 31.596 31.700 -0.912 0.000 0.951 483 D N -0.523 119.771 120.400 -0.178 0.000 2.178 483 D HA 0.062 4.703 4.640 0.001 0.000 0.202 483 D C 0.678 176.988 176.300 0.016 0.000 0.974 483 D CA 1.374 55.361 54.000 -0.021 0.000 0.841 483 D CB -0.017 40.761 40.800 -0.037 0.000 0.953 483 D HN 0.433 nan 8.370 nan 0.000 0.478 484 A N -0.306 122.454 122.820 -0.100 0.000 2.612 484 A HA 0.564 4.884 4.320 0.001 0.000 0.293 484 A C -2.794 174.647 177.584 -0.239 0.000 1.075 484 A CA -1.265 50.531 52.037 -0.402 0.000 0.680 484 A CB 1.006 19.812 19.000 -0.323 0.000 1.279 484 A HN -0.221 nan 8.150 nan 0.000 0.411 485 P HA 0.179 nan 4.420 nan 0.000 0.269 485 P C 0.147 177.361 177.300 -0.144 0.000 1.215 485 P CA 0.055 63.020 63.100 -0.223 0.000 0.780 485 P CB 0.583 32.076 31.700 -0.345 0.000 0.898 486 S N 2.902 118.548 115.700 -0.091 0.000 2.596 486 S HA 0.012 4.483 4.470 0.001 0.000 0.298 486 S C -1.293 173.279 174.600 -0.046 0.000 1.255 486 S CA -0.744 57.421 58.200 -0.058 0.000 1.083 486 S CB -0.548 62.668 63.200 0.028 0.000 0.837 486 S HN 0.255 nan 8.310 nan 0.000 0.499 487 P HA -0.071 nan 4.420 nan 0.000 0.219 487 P C 1.287 178.634 177.300 0.078 0.000 1.146 487 P CA 0.972 64.076 63.100 0.006 0.000 0.808 487 P CB 0.103 31.817 31.700 0.024 0.000 0.779 488 R N -0.566 119.981 120.500 0.077 0.000 2.105 488 R HA -0.090 4.251 4.340 0.001 0.000 0.239 488 R C 2.236 178.597 176.300 0.101 0.000 1.135 488 R CA 1.125 57.295 56.100 0.118 0.000 0.967 488 R CB -0.986 29.347 30.300 0.055 0.000 0.861 488 R HN 0.252 nan 8.270 nan 0.000 0.442 489 L N -0.067 121.163 121.223 0.011 0.000 2.127 489 L HA -0.171 4.170 4.340 0.001 0.000 0.211 489 L C 2.530 179.387 176.870 -0.021 0.000 1.089 489 L CA 1.136 55.963 54.840 -0.022 0.000 0.757 489 L CB -0.600 41.407 42.059 -0.088 0.000 0.899 489 L HN 0.262 nan 8.230 nan 0.000 0.434 490 A N -1.207 121.562 122.820 -0.084 0.000 2.125 490 A HA -0.177 4.144 4.320 0.001 0.000 0.219 490 A C 1.735 179.143 177.584 -0.294 0.000 1.156 490 A CA 1.105 53.022 52.037 -0.200 0.000 0.671 490 A CB -0.619 18.211 19.000 -0.283 0.000 0.794 490 A HN 0.482 nan 8.150 nan 0.000 0.459 491 H N -1.714 117.355 119.070 -0.001 0.000 2.517 491 H HA 0.314 4.870 4.556 0.001 0.000 0.282 491 H C -0.085 175.251 175.328 0.015 0.000 1.023 491 H CA 0.235 56.285 56.048 0.004 0.000 1.169 491 H CB 0.106 29.868 29.762 -0.001 0.000 1.454 491 H HN 0.465 nan 8.280 nan 0.000 0.556 492 M N 1.596 121.251 119.600 0.092 0.000 3.124 492 M HA 0.175 4.656 4.480 0.001 0.000 0.298 492 M C -1.922 174.434 176.300 0.093 0.000 1.403 492 M CA -1.431 53.926 55.300 0.095 0.000 0.651 492 M CB 1.692 34.358 32.600 0.111 0.000 1.412 492 M HN -0.108 nan 8.290 nan 0.000 0.477 493 P HA -0.157 nan 4.420 nan 0.000 0.217 493 P C 1.036 178.383 177.300 0.079 0.000 1.150 493 P CA 1.434 64.570 63.100 0.059 0.000 0.832 493 P CB 0.220 31.939 31.700 0.033 0.000 0.787 494 Q N -0.177 119.665 119.800 0.071 0.000 2.084 494 Q HA -0.118 4.223 4.340 0.001 0.000 0.202 494 Q C 2.403 178.470 176.000 0.112 0.000 0.978 494 Q CA 1.821 57.667 55.803 0.073 0.000 0.844 494 Q CB -0.649 28.118 28.738 0.049 0.000 0.898 494 Q HN 0.198 nan 8.270 nan 0.000 0.426 495 A N 0.814 123.713 122.820 0.132 0.000 1.972 495 A HA -0.173 4.148 4.320 0.001 0.000 0.219 495 A C 2.239 180.029 177.584 0.343 0.000 1.169 495 A CA 1.898 54.058 52.037 0.205 0.000 0.635 495 A CB -0.772 18.343 19.000 0.193 0.000 0.810 495 A HN 0.544 nan 8.150 nan 0.000 0.446 496 T N -3.005 111.730 114.554 0.302 0.000 3.043 496 T HA 0.034 4.385 4.350 0.001 0.000 0.263 496 T C 1.572 176.383 174.700 0.185 0.000 1.094 496 T CA 0.988 63.276 62.100 0.313 0.000 1.127 496 T CB -0.087 68.929 68.868 0.247 0.000 0.905 496 T HN 0.531 nan 8.240 nan 0.000 0.490 497 E N 1.950 122.231 120.200 0.134 0.000 2.006 497 E HA -0.111 4.240 4.350 0.001 0.000 0.192 497 E C 2.632 179.276 176.600 0.074 0.000 0.993 497 E CA 1.657 58.109 56.400 0.088 0.000 0.808 497 E CB -0.204 29.537 29.700 0.067 0.000 0.764 497 E HN 0.721 nan 8.360 nan 0.000 0.449 498 S N 0.693 116.453 115.700 0.100 0.000 2.474 498 S HA -0.072 4.399 4.470 0.001 0.000 0.235 498 S C 2.052 176.567 174.600 -0.141 0.000 0.997 498 S CA 0.625 58.862 58.200 0.062 0.000 0.949 498 S CB -0.062 63.234 63.200 0.159 0.000 0.766 498 S HN 0.087 nan 8.310 nan 0.000 0.517 499 V N 2.220 121.984 119.914 -0.250 0.000 2.867 499 V HA -0.165 3.956 4.120 0.001 0.000 0.260 499 V C 2.191 178.136 176.094 -0.248 0.000 1.099 499 V CA 2.189 64.093 62.300 -0.661 0.000 1.122 499 V CB -0.892 30.567 31.823 -0.606 0.000 0.708 499 V HN 0.467 nan 8.190 nan 0.000 0.490 500 D N 0.778 121.163 120.400 -0.026 0.000 2.133 500 D HA -0.259 4.382 4.640 0.001 0.000 0.195 500 D C 2.157 178.472 176.300 0.024 0.000 0.997 500 D CA 1.866 55.916 54.000 0.084 0.000 0.840 500 D CB -0.173 40.659 40.800 0.053 0.000 0.947 500 D HN 0.850 nan 8.370 nan 0.000 0.452 501 E N -0.538 119.620 120.200 -0.071 0.000 2.418 501 E HA -0.081 4.270 4.350 0.001 0.000 0.197 501 E C 1.735 178.251 176.600 -0.140 0.000 1.026 501 E CA 0.625 56.978 56.400 -0.078 0.000 0.862 501 E CB 0.099 29.756 29.700 -0.071 0.000 0.799 501 E HN 0.169 nan 8.360 nan 0.000 0.518 502 V N 0.183 119.932 119.914 -0.276 0.000 2.446 502 V HA -0.120 4.001 4.120 0.001 0.000 0.244 502 V C 1.827 177.729 176.094 -0.321 0.000 1.039 502 V CA 1.139 63.213 62.300 -0.377 0.000 1.045 502 V CB -0.636 30.801 31.823 -0.643 0.000 0.681 502 V HN 0.187 nan 8.190 nan 0.000 0.459 503 F N 1.970 121.842 119.950 -0.130 0.000 2.216 503 F HA 0.004 4.532 4.527 0.003 0.000 0.300 503 F C 2.421 178.193 175.800 -0.047 0.000 1.085 503 F CA 1.447 59.408 58.000 -0.065 0.000 1.326 503 F CB -1.241 37.748 39.000 -0.019 0.000 1.027 503 F HN 0.199 nan 8.300 nan 0.000 0.497 504 G N -0.534 108.332 108.800 0.109 0.000 2.408 504 G HA2 -0.151 3.809 3.960 0.001 0.000 0.217 504 G HA3 -0.151 3.809 3.960 0.001 0.000 0.217 504 G C 1.893 176.802 174.900 0.015 0.000 1.150 504 G CA 0.741 45.874 45.100 0.055 0.000 0.776 504 G HN 0.438 nan 8.290 nan 0.000 0.542 505 A N 0.054 122.858 122.820 -0.026 0.000 1.969 505 A HA 0.162 4.483 4.320 0.001 0.000 0.218 505 A C 2.558 180.122 177.584 -0.033 0.000 1.169 505 A CA 1.562 53.575 52.037 -0.039 0.000 0.635 505 A CB -0.394 18.565 19.000 -0.069 0.000 0.810 505 A HN 0.232 nan 8.150 nan 0.000 0.445 506 V N 0.366 120.261 119.914 -0.033 0.000 2.307 506 V HA -0.224 3.897 4.120 0.001 0.000 0.245 506 V C 2.528 178.633 176.094 0.018 0.000 1.045 506 V CA 2.043 64.331 62.300 -0.019 0.000 1.024 506 V CB -0.545 31.270 31.823 -0.013 0.000 0.651 506 V HN 0.418 nan 8.190 nan 0.000 0.449 507 K N -0.005 120.424 120.400 0.049 0.000 2.074 507 K HA -0.208 4.113 4.320 0.001 0.000 0.209 507 K C 1.901 178.520 176.600 0.032 0.000 1.048 507 K CA 1.753 58.072 56.287 0.054 0.000 0.926 507 K CB -0.670 31.868 32.500 0.064 0.000 0.713 507 K HN 0.496 nan 8.250 nan 0.000 0.444 508 D N 0.276 120.688 120.400 0.019 0.000 2.097 508 D HA -0.123 4.518 4.640 0.001 0.000 0.195 508 D C 2.057 178.360 176.300 0.004 0.000 0.989 508 D CA 0.823 54.829 54.000 0.010 0.000 0.827 508 D CB -0.016 40.786 40.800 0.002 0.000 0.966 508 D HN 0.070 nan 8.370 nan 0.000 0.456 509 R N 0.800 121.297 120.500 -0.004 0.000 2.091 509 R HA -0.097 4.244 4.340 0.001 0.000 0.238 509 R C 2.326 178.622 176.300 -0.006 0.000 1.136 509 R CA 0.885 56.979 56.100 -0.010 0.000 0.959 509 R CB -0.675 29.612 30.300 -0.021 0.000 0.856 509 R HN 0.458 nan 8.270 nan 0.000 0.437 510 Q N -0.049 119.753 119.800 0.003 0.000 2.061 510 Q HA -0.156 4.184 4.340 0.001 0.000 0.204 510 Q C 2.304 178.315 176.000 0.018 0.000 0.984 510 Q CA 1.550 57.359 55.803 0.011 0.000 0.846 510 Q CB -0.210 28.549 28.738 0.035 0.000 0.902 510 Q HN 0.268 nan 8.270 nan 0.000 0.421 511 R N 0.707 121.221 120.500 0.023 0.000 2.066 511 R HA -0.144 4.197 4.340 0.001 0.000 0.232 511 R C 2.121 178.429 176.300 0.015 0.000 1.131 511 R CA 1.435 57.549 56.100 0.024 0.000 0.955 511 R CB -0.227 30.088 30.300 0.025 0.000 0.851 511 R HN 0.272 nan 8.270 nan 0.000 0.432 512 N N 0.868 119.572 118.700 0.008 0.000 2.120 512 N HA -0.155 4.586 4.740 0.001 0.000 0.188 512 N C 1.902 177.411 175.510 -0.001 0.000 1.024 512 N CA 1.271 54.323 53.050 0.003 0.000 0.852 512 N CB -0.041 38.446 38.487 -0.000 0.000 1.003 512 N HN 0.274 nan 8.380 nan 0.000 0.424 513 L N 0.490 121.709 121.223 -0.007 0.000 2.056 513 L HA -0.129 4.212 4.340 0.001 0.000 0.207 513 L C 2.515 179.379 176.870 -0.009 0.000 1.078 513 L CA 0.460 55.290 54.840 -0.015 0.000 0.749 513 L CB -0.448 41.595 42.059 -0.027 0.000 0.901 513 L HN 0.177 nan 8.230 nan 0.000 0.433 514 L N 0.136 121.360 121.223 0.001 0.000 2.127 514 L HA -0.218 4.123 4.340 0.001 0.000 0.211 514 L C 2.241 179.120 176.870 0.015 0.000 1.089 514 L CA 1.831 56.678 54.840 0.012 0.000 0.757 514 L CB -0.389 41.685 42.059 0.026 0.000 0.899 514 L HN 0.229 nan 8.230 nan 0.000 0.434 515 E N -1.675 118.533 120.200 0.013 0.000 2.299 515 E HA -0.069 4.282 4.350 0.001 0.000 0.193 515 E C 1.552 178.158 176.600 0.011 0.000 0.998 515 E CA 1.173 57.581 56.400 0.014 0.000 0.851 515 E CB 0.080 29.788 29.700 0.014 0.000 0.795 515 E HN 0.709 nan 8.360 nan 0.000 0.492 516 T N -2.182 112.374 114.554 0.004 0.000 2.959 516 T HA 0.238 4.589 4.350 0.001 0.000 0.254 516 T C 0.714 175.413 174.700 -0.002 0.000 1.003 516 T CA -0.356 61.746 62.100 0.002 0.000 0.950 516 T CB 0.141 69.008 68.868 -0.002 0.000 1.090 516 T HN -0.115 nan 8.240 nan 0.000 0.503 517 L N 3.573 124.791 121.223 -0.008 0.000 2.397 517 L HA 0.434 4.775 4.340 0.001 0.000 0.271 517 L C -1.959 174.910 176.870 -0.001 0.000 1.148 517 L CA -2.166 52.662 54.840 -0.019 0.000 0.825 517 L CB 0.829 42.864 42.059 -0.040 0.000 1.117 517 L HN 0.133 nan 8.230 nan 0.000 0.456 518 P HA 0.160 nan 4.420 nan 0.000 0.280 518 P C -0.811 176.509 177.300 0.033 0.000 1.272 518 P CA -0.607 62.513 63.100 0.032 0.000 0.819 518 P CB 1.210 32.945 31.700 0.058 0.000 1.122 519 S N 0.395 116.131 115.700 0.060 0.000 2.584 519 S HA -0.002 4.468 4.470 0.001 0.000 0.270 519 S C 1.322 175.980 174.600 0.097 0.000 1.346 519 S CA -0.512 57.735 58.200 0.078 0.000 1.018 519 S CB -0.117 63.151 63.200 0.114 0.000 0.899 519 S HN 0.416 nan 8.310 nan 0.000 0.542 520 L N 1.251 122.530 121.223 0.093 0.000 2.079 520 L HA -0.069 4.272 4.340 0.001 0.000 0.210 520 L C 2.379 179.380 176.870 0.219 0.000 1.081 520 L CA 2.468 57.382 54.840 0.123 0.000 0.752 520 L CB -1.396 40.715 42.059 0.087 0.000 0.896 520 L HN 1.044 nan 8.230 nan 0.000 0.433 521 H N -0.309 118.824 119.070 0.105 0.000 2.353 521 H HA -0.170 4.387 4.556 0.001 0.000 0.300 521 H C 2.139 177.531 175.328 0.106 0.000 1.090 521 H CA 2.236 58.346 56.048 0.105 0.000 1.327 521 H CB -0.010 29.801 29.762 0.082 0.000 1.383 521 H HN 0.506 nan 8.280 nan 0.000 0.508 522 E N -0.868 119.319 120.200 -0.022 0.000 2.058 522 E HA -0.181 4.170 4.350 0.001 0.000 0.194 522 E C 1.901 178.479 176.600 -0.036 0.000 0.997 522 E CA 1.393 57.750 56.400 -0.072 0.000 0.801 522 E CB -0.320 29.395 29.700 0.026 0.000 0.746 522 E HN 0.494 nan 8.360 nan 0.000 0.450 523 F N 0.653 120.566 119.950 -0.062 0.000 2.146 523 F HA -0.126 4.402 4.527 0.001 0.000 0.298 523 F C 1.748 177.546 175.800 -0.003 0.000 1.096 523 F CA 1.132 59.105 58.000 -0.044 0.000 1.275 523 F CB -0.027 38.934 39.000 -0.065 0.000 1.008 523 F HN -0.053 nan 8.300 nan 0.000 0.480 524 L N 0.118 121.412 121.223 0.119 0.000 2.046 524 L HA -0.218 4.123 4.340 0.001 0.000 0.208 524 L C 2.556 179.437 176.870 0.017 0.000 1.077 524 L CA 1.532 56.444 54.840 0.120 0.000 0.747 524 L CB -0.665 41.530 42.059 0.227 0.000 0.896 524 L HN 0.060 nan 8.230 nan 0.000 0.432 525 R N -0.315 120.111 120.500 -0.124 0.000 2.081 525 R HA -0.228 4.113 4.340 0.001 0.000 0.235 525 R C 2.256 178.477 176.300 -0.131 0.000 1.131 525 R CA 1.547 57.570 56.100 -0.128 0.000 0.960 525 R CB -0.515 29.644 30.300 -0.236 0.000 0.856 525 R HN 0.445 nan 8.270 nan 0.000 0.436 526 Q N 1.350 121.020 119.800 -0.217 0.000 2.061 526 Q HA -0.248 4.093 4.340 0.001 0.000 0.204 526 Q C 2.095 177.919 176.000 -0.294 0.000 0.984 526 Q CA 1.730 57.383 55.803 -0.251 0.000 0.846 526 Q CB 0.031 28.580 28.738 -0.314 0.000 0.902 526 Q HN 0.462 nan 8.270 nan 0.000 0.421 527 Q N -0.531 119.017 119.800 -0.419 0.000 2.061 527 Q HA -0.143 4.198 4.340 0.001 0.000 0.204 527 Q C 0.652 176.388 176.000 -0.439 0.000 0.984 527 Q CA 1.082 56.605 55.803 -0.466 0.000 0.846 527 Q CB -0.166 28.228 28.738 -0.573 0.000 0.902 527 Q HN 0.560 nan 8.270 nan 0.000 0.421 528 H N 0.000 118.989 119.070 -0.136 0.000 2.539 528 H HA 0.000 4.557 4.556 0.002 0.000 0.296 528 H CA 0.000 55.996 56.048 -0.087 0.000 1.023 528 H CB 0.000 29.725 29.762 -0.062 0.000 1.292 528 H HN 0.000 nan 8.280 nan 0.000 0.496