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 2hw1_1_A DATA FIRST_RESID 3 DATA SEQUENCE EKQILCVGLV VLDVISLVDK YPKEDSEIRC LSQRWQRGGN ASNSCTVLSL DATA SEQUENCE LGAPCAFMGS MAPGHVADFV LDDLRRYSVD LRYTVFQTTG SVPIATVIIN DATA SEQUENCE EASGSRTILY YDRSLPDVSA TDFEKVDLTQ FKWIHIEGRN ASEQVKMLQR DATA SEQUENCE IDAHNTRQPP EQKIRVSVEV EKPREELFQL FGYGDVVFVS KDVAKHLGFQ DATA SEQUENCE SAEEALRGLY GRVRKGAVLV CAWAEEGADA LGPDGKLLHS DAFPPPRVVD DATA SEQUENCE TLGAGDTFNA SVIFSLSQGR SVQEALRFGC QVAGKKCGLQ GFDGIV 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 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.624 176.600 0.040 0.000 1.382 3 E CA 0.000 56.422 56.400 0.037 0.000 0.976 3 E CB 0.000 29.730 29.700 0.050 0.000 0.812 4 K N 1.234 121.662 120.400 0.045 0.000 2.319 4 K HA 0.332 4.652 4.320 0.001 0.000 0.265 4 K C 0.438 177.103 176.600 0.109 0.000 1.000 4 K CA -0.195 56.117 56.287 0.041 0.000 0.943 4 K CB 0.707 33.237 32.500 0.050 0.000 0.950 4 K HN 0.623 nan 8.250 nan 0.000 0.485 5 Q N 0.957 120.837 119.800 0.134 0.000 2.249 5 Q HA 0.347 4.688 4.340 0.001 0.000 0.226 5 Q C -0.207 176.062 176.000 0.448 0.000 0.983 5 Q CA -0.462 55.514 55.803 0.288 0.000 0.930 5 Q CB 0.964 29.920 28.738 0.362 0.000 1.193 5 Q HN 0.422 nan 8.270 nan 0.000 0.508 6 I N 2.136 122.922 120.570 0.360 0.000 2.339 6 I HA 0.181 4.351 4.170 0.001 0.000 0.290 6 I C -0.830 175.419 176.117 0.221 0.000 0.994 6 I CA -0.763 60.724 61.300 0.312 0.000 1.191 6 I CB 1.054 39.158 38.000 0.173 0.000 1.343 6 I HN 0.329 nan 8.210 nan 0.000 0.458 7 L N 7.852 129.092 121.223 0.029 0.000 2.292 7 L HA 0.448 4.789 4.340 0.001 0.000 0.284 7 L C -0.732 176.122 176.870 -0.026 0.000 1.065 7 L CA 0.208 54.900 54.840 -0.246 0.000 0.806 7 L CB 0.919 42.394 42.059 -0.973 0.000 1.175 7 L HN 0.623 nan 8.230 nan 0.000 0.431 8 C N 4.665 123.971 119.300 0.011 0.000 2.322 8 C HA 0.673 5.134 4.460 0.001 0.000 0.324 8 C C -0.153 174.744 174.990 -0.156 0.000 1.284 8 C CA -1.027 58.032 59.018 0.069 0.000 1.606 8 C CB 1.023 28.900 27.740 0.228 0.000 2.251 8 C HN 0.584 nan 8.230 nan 0.000 0.502 9 V N 3.682 123.487 119.914 -0.181 0.000 2.398 9 V HA 0.949 5.070 4.120 0.001 0.000 0.286 9 V C 0.645 176.598 176.094 -0.235 0.000 1.026 9 V CA 0.543 62.658 62.300 -0.309 0.000 0.868 9 V CB 1.011 32.687 31.823 -0.245 0.000 0.982 9 V HN 1.247 nan 8.190 nan 0.000 0.443 10 G N 3.662 112.294 108.800 -0.279 0.000 2.393 10 G HA2 0.490 4.450 3.960 0.001 0.000 0.264 10 G HA3 0.490 4.450 3.960 0.001 0.000 0.264 10 G C -2.283 172.682 174.900 0.108 0.000 1.221 10 G CA -0.595 44.489 45.100 -0.026 0.000 0.912 10 G HN 0.603 nan 8.290 nan 0.000 0.483 11 L N 0.846 122.222 121.223 0.254 0.000 2.381 11 L HA 0.761 5.101 4.340 0.001 0.000 0.274 11 L C -0.157 176.862 176.870 0.249 0.000 0.988 11 L CA -0.856 54.143 54.840 0.265 0.000 0.824 11 L CB 1.832 43.968 42.059 0.128 0.000 1.263 11 L HN 0.485 nan 8.230 nan 0.000 0.410 12 V N 5.454 125.485 119.914 0.195 0.000 2.614 12 V HA 0.439 4.560 4.120 0.001 0.000 0.291 12 V C -0.000 176.108 176.094 0.023 0.000 1.049 12 V CA -0.305 61.975 62.300 -0.033 0.000 1.038 12 V CB 1.297 33.034 31.823 -0.144 0.000 0.980 12 V HN 0.565 nan 8.190 nan 0.000 0.481 13 V N 5.078 125.001 119.914 0.015 0.000 2.823 13 V HA 0.423 4.543 4.120 0.001 0.000 0.312 13 V C -0.446 175.645 176.094 -0.004 0.000 1.072 13 V CA -0.817 61.504 62.300 0.034 0.000 0.937 13 V CB 1.992 33.890 31.823 0.125 0.000 1.013 13 V HN 0.679 nan 8.190 nan 0.000 0.430 14 L N 3.577 124.758 121.223 -0.069 0.000 2.283 14 L HA 0.511 4.851 4.340 0.001 0.000 0.287 14 L C -0.509 176.272 176.870 -0.148 0.000 1.073 14 L CA 0.237 54.987 54.840 -0.150 0.000 0.822 14 L CB 0.422 42.258 42.059 -0.371 0.000 1.186 14 L HN 0.560 nan 8.230 nan 0.000 0.436 15 D N 4.838 125.200 120.400 -0.062 0.000 2.313 15 D HA 0.231 4.871 4.640 0.001 0.000 0.239 15 D C -0.469 175.783 176.300 -0.080 0.000 1.142 15 D CA 0.013 53.995 54.000 -0.030 0.000 0.847 15 D CB 1.656 42.485 40.800 0.050 0.000 1.082 15 D HN 0.229 nan 8.370 nan 0.000 0.480 16 V N 4.298 124.152 119.914 -0.099 0.000 2.334 16 V HA 0.284 4.405 4.120 0.001 0.000 0.267 16 V C 0.500 176.621 176.094 0.045 0.000 1.040 16 V CA -0.587 61.690 62.300 -0.038 0.000 0.866 16 V CB 0.433 32.215 31.823 -0.069 0.000 1.019 16 V HN 0.374 nan 8.190 nan 0.000 0.468 17 I N 3.860 124.484 120.570 0.089 0.000 2.339 17 I HA 0.369 4.540 4.170 0.001 0.000 0.290 17 I C 0.236 176.390 176.117 0.061 0.000 0.994 17 I CA 0.045 61.386 61.300 0.068 0.000 1.191 17 I CB 1.671 39.712 38.000 0.067 0.000 1.343 17 I HN 0.462 nan 8.210 nan 0.000 0.458 18 S N 7.005 122.731 115.700 0.043 0.000 2.438 18 S HA 0.423 4.894 4.470 0.001 0.000 0.316 18 S C -0.464 174.150 174.600 0.024 0.000 1.084 18 S CA -0.486 57.732 58.200 0.029 0.000 1.107 18 S CB 1.114 64.323 63.200 0.016 0.000 0.981 18 S HN 0.380 nan 8.310 nan 0.000 0.466 19 L N 6.571 127.806 121.223 0.020 0.000 2.276 19 L HA 0.655 4.996 4.340 0.001 0.000 0.286 19 L C -0.418 176.458 176.870 0.010 0.000 1.061 19 L CA -0.201 54.649 54.840 0.017 0.000 0.807 19 L CB 0.737 42.805 42.059 0.014 0.000 1.177 19 L HN 0.476 nan 8.230 nan 0.000 0.429 20 V N 1.524 121.446 119.914 0.013 0.000 2.960 20 V HA 0.595 4.716 4.120 0.001 0.000 0.315 20 V C 0.232 176.335 176.094 0.015 0.000 1.087 20 V CA -0.289 62.014 62.300 0.005 0.000 0.982 20 V CB 1.749 33.564 31.823 -0.012 0.000 1.039 20 V HN 0.777 nan 8.190 nan 0.000 0.437 21 D N 0.574 120.979 120.400 0.010 0.000 2.347 21 D HA 0.049 4.689 4.640 0.001 0.000 0.213 21 D C 0.392 176.708 176.300 0.027 0.000 0.985 21 D CA 0.842 54.852 54.000 0.015 0.000 0.879 21 D CB 0.116 40.922 40.800 0.009 0.000 0.919 21 D HN 0.905 nan 8.370 nan 0.000 0.526 22 K N -1.884 118.535 120.400 0.031 0.000 2.556 22 K HA 0.273 4.593 4.320 0.001 0.000 0.274 22 K C -1.452 175.196 176.600 0.080 0.000 0.966 22 K CA -1.132 55.190 56.287 0.058 0.000 0.865 22 K CB 0.836 33.361 32.500 0.041 0.000 1.444 22 K HN -0.179 nan 8.250 nan 0.000 0.433 23 Y N 2.594 122.893 120.300 -0.000 0.000 2.569 23 Y HA 0.159 4.709 4.550 0.001 0.000 0.332 23 Y C -2.051 173.849 175.900 0.000 0.000 1.120 23 Y CA -1.251 56.849 58.100 0.000 0.000 1.416 23 Y CB 0.509 38.969 38.460 0.000 0.000 1.210 23 Y HN 0.476 nan 8.280 nan 0.000 0.528 24 P HA -0.064 nan 4.420 nan 0.000 0.258 24 P C -0.733 176.399 177.300 -0.280 0.000 1.187 24 P CA 0.222 63.095 63.100 -0.378 0.000 0.767 24 P CB 0.312 31.753 31.700 -0.432 0.000 0.770 25 K N 3.601 123.938 120.400 -0.105 0.000 2.412 25 K HA -0.004 4.316 4.320 0.001 0.000 0.281 25 K C 0.333 176.902 176.600 -0.052 0.000 1.027 25 K CA -0.184 56.081 56.287 -0.036 0.000 0.989 25 K CB 0.431 32.925 32.500 -0.009 0.000 0.935 25 K HN 0.472 nan 8.250 nan 0.000 0.475 26 E N 2.998 123.185 120.200 -0.021 0.000 2.502 26 E HA -0.197 4.154 4.350 0.001 0.000 0.261 26 E C -0.289 176.298 176.600 -0.021 0.000 0.974 26 E CA 0.780 57.168 56.400 -0.020 0.000 0.936 26 E CB 0.259 29.963 29.700 0.007 0.000 0.926 26 E HN 0.737 nan 8.360 nan 0.000 0.459 27 D N 1.377 121.761 120.400 -0.027 0.000 3.077 27 D HA -0.184 4.456 4.640 0.001 0.000 0.212 27 D C -0.599 175.685 176.300 -0.025 0.000 1.125 27 D CA 1.334 55.321 54.000 -0.022 0.000 0.970 27 D CB -1.100 39.693 40.800 -0.012 0.000 1.110 27 D HN 0.432 nan 8.370 nan 0.000 0.419 28 S N -0.963 114.716 115.700 -0.035 0.000 2.738 28 S HA 0.707 5.178 4.470 0.001 0.000 0.284 28 S C 0.035 174.611 174.600 -0.039 0.000 1.146 28 S CA -0.752 57.428 58.200 -0.034 0.000 0.997 28 S CB 1.912 65.090 63.200 -0.038 0.000 1.081 28 S HN 0.177 nan 8.310 nan 0.000 0.553 29 E N -0.131 120.048 120.200 -0.034 0.000 2.210 29 E HA 0.632 4.983 4.350 0.001 0.000 0.266 29 E C -1.220 175.359 176.600 -0.035 0.000 0.883 29 E CA -0.399 55.981 56.400 -0.035 0.000 0.761 29 E CB 2.153 31.838 29.700 -0.026 0.000 1.156 29 E HN 0.582 nan 8.360 nan 0.000 0.412 30 I N 1.741 122.287 120.570 -0.041 0.000 2.582 30 I HA 0.348 4.518 4.170 0.001 0.000 0.292 30 I C -0.922 175.176 176.117 -0.031 0.000 1.066 30 I CA -0.931 60.346 61.300 -0.038 0.000 1.053 30 I CB 1.492 39.461 38.000 -0.053 0.000 1.241 30 I HN 0.419 nan 8.210 nan 0.000 0.421 31 R N 6.708 127.194 120.500 -0.023 0.000 2.298 31 R HA 0.355 4.696 4.340 0.001 0.000 0.310 31 R C -1.025 175.265 176.300 -0.017 0.000 1.068 31 R CA -0.393 55.696 56.100 -0.019 0.000 0.957 31 R CB 0.498 30.790 30.300 -0.015 0.000 1.003 31 R HN 0.712 nan 8.270 nan 0.000 0.454 32 C N 5.383 124.673 119.300 -0.016 0.000 2.644 32 C HA 0.100 4.561 4.460 0.001 0.000 0.417 32 C C 2.294 177.279 174.990 -0.007 0.000 1.304 32 C CA -0.627 58.385 59.018 -0.011 0.000 2.035 32 C CB 0.021 27.756 27.740 -0.007 0.000 2.673 32 C HN 0.915 nan 8.230 nan 0.000 0.602 33 L N 2.308 123.529 121.223 -0.003 0.000 2.093 33 L HA -0.011 4.329 4.340 0.001 0.000 0.208 33 L C 1.273 178.143 176.870 -0.001 0.000 1.085 33 L CA 1.420 56.259 54.840 -0.002 0.000 0.755 33 L CB -0.508 41.552 42.059 0.001 0.000 0.904 33 L HN 0.944 nan 8.230 nan 0.000 0.435 34 S N -2.317 113.384 115.700 0.002 0.000 2.636 34 S HA 0.448 4.919 4.470 0.001 0.000 0.266 34 S C -1.099 173.508 174.600 0.012 0.000 1.147 34 S CA -0.926 57.276 58.200 0.004 0.000 0.815 34 S CB 2.543 65.746 63.200 0.005 0.000 1.119 34 S HN 0.100 nan 8.310 nan 0.000 0.470 35 Q N 0.213 120.022 119.800 0.015 0.000 2.284 35 Q HA 0.619 4.959 4.340 0.001 0.000 0.269 35 Q C -1.459 174.569 176.000 0.048 0.000 1.026 35 Q CA -0.610 55.216 55.803 0.037 0.000 0.831 35 Q CB 1.749 30.508 28.738 0.035 0.000 1.322 35 Q HN 0.865 nan 8.270 nan 0.000 0.419 36 R N 1.154 121.713 120.500 0.098 0.000 2.774 36 R HA 0.540 4.881 4.340 0.001 0.000 0.272 36 R C -1.572 174.902 176.300 0.291 0.000 1.000 36 R CA -0.788 55.390 56.100 0.131 0.000 0.906 36 R CB 1.055 31.419 30.300 0.107 0.000 1.227 36 R HN 0.297 nan 8.270 nan 0.000 0.468 37 W N 1.442 122.702 121.300 -0.065 0.000 2.376 37 W HA 0.421 5.082 4.660 0.001 0.000 0.322 37 W C -0.122 176.479 176.519 0.136 0.000 1.160 37 W CA -0.220 57.063 57.345 -0.103 0.000 1.218 37 W CB 1.428 30.567 29.460 -0.535 0.000 1.205 37 W HN 0.622 nan 8.180 nan 0.000 0.559 38 Q N 2.898 122.921 119.800 0.372 0.000 2.289 38 Q HA 0.321 4.661 4.340 0.001 0.000 0.270 38 Q C -0.438 175.764 176.000 0.337 0.000 1.038 38 Q CA -0.999 55.034 55.803 0.384 0.000 0.812 38 Q CB 1.859 30.732 28.738 0.225 0.000 1.300 38 Q HN 0.548 nan 8.270 nan 0.000 0.427 39 R N 1.842 122.530 120.500 0.313 0.000 2.538 39 R HA 0.381 4.721 4.340 0.001 0.000 0.282 39 R C -0.364 175.991 176.300 0.092 0.000 1.009 39 R CA 1.033 57.216 56.100 0.139 0.000 1.063 39 R CB 0.246 30.536 30.300 -0.016 0.000 0.945 39 R HN 0.731 nan 8.270 nan 0.000 0.414 40 G N 1.128 109.954 108.800 0.045 0.000 3.166 40 G HA2 0.639 4.600 3.960 0.001 0.000 0.267 40 G HA3 0.639 4.600 3.960 0.001 0.000 0.267 40 G C -0.543 174.353 174.900 -0.007 0.000 1.256 40 G CA -0.530 44.598 45.100 0.047 0.000 0.859 40 G HN 0.978 nan 8.290 nan 0.000 0.590 41 G N -0.893 107.926 108.800 0.031 0.000 2.907 41 G HA2 -0.035 3.926 3.960 0.001 0.000 0.686 41 G HA3 -0.035 3.926 3.960 0.001 0.000 0.686 41 G C 0.261 175.168 174.900 0.012 0.000 1.115 41 G CA 0.328 45.447 45.100 0.031 0.000 0.760 41 G HN 0.746 nan 8.290 nan 0.000 0.620 42 N N 0.873 119.593 118.700 0.032 0.000 2.013 42 N HA -0.039 4.701 4.740 0.001 0.000 0.195 42 N C 2.891 178.428 175.510 0.044 0.000 1.051 42 N CA 2.918 55.986 53.050 0.031 0.000 0.851 42 N CB -0.501 38.013 38.487 0.044 0.000 1.044 42 N HN 1.294 nan 8.380 nan 0.000 0.422 43 A N 0.148 123.050 122.820 0.138 0.000 1.940 43 A HA -0.167 4.153 4.320 0.001 0.000 0.219 43 A C 2.369 180.060 177.584 0.178 0.000 1.176 43 A CA 2.141 54.319 52.037 0.235 0.000 0.631 43 A CB -1.056 18.140 19.000 0.326 0.000 0.814 43 A HN 0.380 nan 8.150 nan 0.000 0.446 44 S N 0.233 115.962 115.700 0.048 0.000 2.368 44 S HA -0.204 4.266 4.470 0.001 0.000 0.225 44 S C 1.903 176.305 174.600 -0.329 0.000 1.030 44 S CA 1.693 59.675 58.200 -0.363 0.000 0.999 44 S CB -0.577 62.294 63.200 -0.548 0.000 0.844 44 S HN 0.610 nan 8.310 nan 0.000 0.459 45 N N 1.324 119.860 118.700 -0.272 0.000 2.188 45 N HA 0.032 4.773 4.740 0.001 0.000 0.184 45 N C 1.966 177.176 175.510 -0.500 0.000 1.018 45 N CA 1.371 54.143 53.050 -0.464 0.000 0.858 45 N CB -0.859 37.458 38.487 -0.283 0.000 0.989 45 N HN 0.415 nan 8.380 nan 0.000 0.426 46 S N 0.218 115.749 115.700 -0.283 0.000 2.383 46 S HA -0.117 4.354 4.470 0.001 0.000 0.229 46 S C 2.266 176.721 174.600 -0.242 0.000 1.030 46 S CA 0.734 58.779 58.200 -0.257 0.000 1.002 46 S CB -0.396 62.681 63.200 -0.204 0.000 0.829 46 S HN 0.442 nan 8.310 nan 0.000 0.467 47 C N 1.397 120.588 119.300 -0.181 0.000 2.429 47 C HA -0.083 4.377 4.460 0.001 0.000 0.277 47 C C 2.950 177.778 174.990 -0.271 0.000 1.262 47 C CA 1.238 60.170 59.018 -0.143 0.000 1.733 47 C CB -1.671 26.034 27.740 -0.060 0.000 2.010 47 C HN 0.623 nan 8.230 nan 0.000 0.483 48 T N 0.637 114.906 114.554 -0.475 0.000 2.684 48 T HA -0.163 4.187 4.350 0.001 0.000 0.267 48 T C 1.782 176.165 174.700 -0.528 0.000 1.036 48 T CA 1.834 63.499 62.100 -0.724 0.000 1.148 48 T CB -0.332 67.916 68.868 -1.033 0.000 0.863 48 T HN 0.379 nan 8.240 nan 0.000 0.436 49 V N 1.204 120.829 119.914 -0.482 0.000 2.379 49 V HA -0.047 4.073 4.120 0.001 0.000 0.245 49 V C 2.489 178.432 176.094 -0.253 0.000 1.044 49 V CA 1.235 63.337 62.300 -0.330 0.000 1.036 49 V CB -0.659 30.981 31.823 -0.304 0.000 0.664 49 V HN 0.408 nan 8.190 nan 0.000 0.453 50 L N 0.055 121.142 121.223 -0.226 0.000 2.046 50 L HA -0.192 4.149 4.340 0.001 0.000 0.208 50 L C 2.763 179.554 176.870 -0.131 0.000 1.077 50 L CA 1.930 56.670 54.840 -0.168 0.000 0.747 50 L CB -0.664 41.343 42.059 -0.087 0.000 0.896 50 L HN 0.429 nan 8.230 nan 0.000 0.432 51 S N 0.179 115.824 115.700 -0.090 0.000 2.359 51 S HA -0.186 4.284 4.470 0.001 0.000 0.224 51 S C 2.019 176.615 174.600 -0.008 0.000 1.035 51 S CA 1.307 59.504 58.200 -0.006 0.000 1.018 51 S CB -0.263 62.977 63.200 0.066 0.000 0.876 51 S HN 0.322 nan 8.310 nan 0.000 0.448 52 L N 0.778 121.980 121.223 -0.034 0.000 2.083 52 L HA -0.025 4.316 4.340 0.001 0.000 0.209 52 L C 2.267 179.072 176.870 -0.108 0.000 1.083 52 L CA 0.993 55.822 54.840 -0.018 0.000 0.752 52 L CB -0.415 41.640 42.059 -0.006 0.000 0.899 52 L HN 0.356 nan 8.230 nan 0.000 0.433 53 L N -0.652 120.424 121.223 -0.246 0.000 2.465 53 L HA 0.031 4.372 4.340 0.001 0.000 0.224 53 L C 1.430 178.065 176.870 -0.392 0.000 1.145 53 L CA 0.738 55.300 54.840 -0.464 0.000 0.834 53 L CB -0.416 41.053 42.059 -0.983 0.000 0.944 53 L HN 0.525 nan 8.230 nan 0.000 0.451 54 G N -0.324 108.373 108.800 -0.171 0.000 2.148 54 G HA2 -0.171 3.789 3.960 0.001 0.000 0.203 54 G HA3 -0.171 3.789 3.960 0.001 0.000 0.203 54 G C 0.192 175.150 174.900 0.097 0.000 0.993 54 G CA -0.175 44.919 45.100 -0.010 0.000 0.661 54 G HN 0.425 nan 8.290 nan 0.000 0.518 55 A N 0.906 123.784 122.820 0.096 0.000 2.269 55 A HA 0.756 5.076 4.320 0.001 0.000 0.302 55 A C -1.787 175.869 177.584 0.120 0.000 1.266 55 A CA -1.343 50.808 52.037 0.190 0.000 0.894 55 A CB 0.534 19.707 19.000 0.289 0.000 1.147 55 A HN 0.105 nan 8.150 nan 0.000 0.537 56 P HA 0.212 nan 4.420 nan 0.000 0.262 56 P C -0.223 177.167 177.300 0.150 0.000 1.182 56 P CA 0.190 63.361 63.100 0.118 0.000 0.761 56 P CB 0.079 31.845 31.700 0.109 0.000 0.795 57 C N 1.212 120.604 119.300 0.153 0.000 3.241 57 C HA 0.937 5.397 4.460 0.001 0.000 0.312 57 C C -0.896 174.223 174.990 0.214 0.000 1.350 57 C CA -1.085 58.045 59.018 0.187 0.000 1.415 57 C CB 1.329 29.145 27.740 0.127 0.000 1.770 57 C HN 0.634 nan 8.230 nan 0.000 0.466 58 A N 0.767 123.736 122.820 0.248 0.000 2.414 58 A HA 0.852 5.172 4.320 0.001 0.000 0.306 58 A C -1.398 176.317 177.584 0.218 0.000 1.054 58 A CA -0.275 51.921 52.037 0.264 0.000 0.724 58 A CB 1.233 20.475 19.000 0.404 0.000 1.267 58 A HN 1.518 nan 8.150 nan 0.000 0.418 59 F N 2.287 122.285 119.950 0.080 0.000 2.469 59 F HA 0.719 5.247 4.527 0.001 0.000 0.332 59 F C -0.259 175.578 175.800 0.061 0.000 1.103 59 F CA -0.867 57.158 58.000 0.042 0.000 0.979 59 F CB 1.719 40.726 39.000 0.012 0.000 1.137 59 F HN 0.563 nan 8.300 nan 0.000 0.463 60 M N 6.415 125.513 119.600 -0.835 0.000 2.085 60 M HA 0.675 5.155 4.480 0.001 0.000 0.309 60 M C -1.033 174.729 176.300 -0.895 0.000 0.947 60 M CA -0.116 54.839 55.300 -0.575 0.000 0.918 60 M CB 1.018 33.463 32.600 -0.258 0.000 1.504 60 M HN 0.808 nan 8.290 nan 0.000 0.420 61 G N 1.886 110.377 108.800 -0.515 0.000 2.660 61 G HA2 0.510 4.470 3.960 0.001 0.000 0.290 61 G HA3 0.510 4.470 3.960 0.001 0.000 0.290 61 G C -1.650 173.208 174.900 -0.070 0.000 1.432 61 G CA -0.619 44.348 45.100 -0.223 0.000 0.807 61 G HN 0.598 nan 8.290 nan 0.000 0.485 62 S N -0.500 115.174 115.700 -0.043 0.000 2.585 62 S HA 0.590 5.060 4.470 0.001 0.000 0.273 62 S C -0.032 174.518 174.600 -0.084 0.000 1.339 62 S CA 0.154 58.313 58.200 -0.069 0.000 1.028 62 S CB 1.145 64.322 63.200 -0.037 0.000 0.906 62 S HN 0.658 nan 8.310 nan 0.000 0.528 63 M N 2.033 121.528 119.600 -0.175 0.000 2.421 63 M HA 0.629 5.109 4.480 0.001 0.000 0.287 63 M C -1.703 174.579 176.300 -0.031 0.000 1.183 63 M CA -0.564 54.631 55.300 -0.174 0.000 0.916 63 M CB 1.798 34.126 32.600 -0.453 0.000 1.701 63 M HN 0.588 nan 8.290 nan 0.000 0.470 64 A N 5.297 128.150 122.820 0.056 0.000 2.291 64 A HA 0.878 5.199 4.320 0.001 0.000 0.311 64 A C -2.776 174.903 177.584 0.159 0.000 1.224 64 A CA -1.451 50.655 52.037 0.115 0.000 0.821 64 A CB 0.113 19.148 19.000 0.058 0.000 1.172 64 A HN 0.607 nan 8.150 nan 0.000 0.494 65 P HA 0.448 nan 4.420 nan 0.000 0.268 65 P C 0.657 178.010 177.300 0.088 0.000 1.208 65 P CA 0.975 64.180 63.100 0.175 0.000 0.777 65 P CB 0.812 32.577 31.700 0.109 0.000 0.875 66 G N 0.075 108.916 108.800 0.069 0.000 2.369 66 G HA2 -0.038 3.922 3.960 0.001 0.000 0.293 66 G HA3 -0.038 3.922 3.960 0.001 0.000 0.293 66 G C 0.020 174.975 174.900 0.090 0.000 1.301 66 G CA -0.543 44.557 45.100 -0.001 0.000 0.913 66 G HN 0.435 nan 8.290 nan 0.000 0.540 67 H N -0.766 118.388 119.070 0.140 0.000 2.428 67 H HA 0.070 4.626 4.556 0.001 0.000 0.296 67 H C 2.859 178.344 175.328 0.262 0.000 1.062 67 H CA 1.684 57.842 56.048 0.182 0.000 1.350 67 H CB -0.194 29.668 29.762 0.168 0.000 1.403 67 H HN 0.228 nan 8.280 nan 0.000 0.533 68 V N 1.170 121.289 119.914 0.341 0.000 2.261 68 V HA -0.260 3.861 4.120 0.001 0.000 0.246 68 V C 2.803 179.055 176.094 0.264 0.000 1.047 68 V CA 1.629 64.087 62.300 0.265 0.000 1.015 68 V CB -1.164 30.694 31.823 0.058 0.000 0.642 68 V HN 0.471 nan 8.190 nan 0.000 0.446 69 A N 0.322 123.259 122.820 0.195 0.000 1.896 69 A HA -0.364 3.957 4.320 0.001 0.000 0.220 69 A C 1.955 179.667 177.584 0.214 0.000 1.206 69 A CA 2.583 54.730 52.037 0.183 0.000 0.647 69 A CB -0.897 18.217 19.000 0.190 0.000 0.828 69 A HN 0.589 nan 8.150 nan 0.000 0.455 70 D N -1.510 119.044 120.400 0.256 0.000 2.144 70 D HA -0.112 4.528 4.640 0.001 0.000 0.199 70 D C 1.614 178.060 176.300 0.243 0.000 0.984 70 D CA 1.305 55.449 54.000 0.240 0.000 0.834 70 D CB -0.499 40.464 40.800 0.271 0.000 0.955 70 D HN 0.519 nan 8.370 nan 0.000 0.465 71 F N 1.793 121.858 119.950 0.191 0.000 2.075 71 F HA -0.240 4.287 4.527 0.001 0.000 0.297 71 F C 2.250 178.137 175.800 0.145 0.000 1.113 71 F CA 1.698 59.817 58.000 0.198 0.000 1.218 71 F CB -0.409 38.796 39.000 0.340 0.000 0.984 71 F HN -0.068 nan 8.300 nan 0.000 0.472 72 V N -0.656 119.313 119.914 0.092 0.000 2.453 72 V HA -0.196 3.925 4.120 0.001 0.000 0.247 72 V C 2.214 178.260 176.094 -0.080 0.000 1.048 72 V CA 1.893 64.154 62.300 -0.065 0.000 1.049 72 V CB -1.167 30.678 31.823 0.036 0.000 0.672 72 V HN 0.466 nan 8.190 nan 0.000 0.457 73 L N 0.171 121.399 121.223 0.009 0.000 2.056 73 L HA -0.078 4.262 4.340 0.001 0.000 0.207 73 L C 2.573 179.448 176.870 0.008 0.000 1.078 73 L CA 1.870 56.727 54.840 0.029 0.000 0.749 73 L CB -0.850 41.273 42.059 0.106 0.000 0.901 73 L HN 0.274 nan 8.230 nan 0.000 0.433 74 D N -0.028 120.369 120.400 -0.005 0.000 2.149 74 D HA -0.232 4.408 4.640 0.001 0.000 0.198 74 D C 1.744 177.998 176.300 -0.077 0.000 0.990 74 D CA 1.464 55.447 54.000 -0.028 0.000 0.839 74 D CB -0.136 40.651 40.800 -0.022 0.000 0.948 74 D HN 0.342 nan 8.370 nan 0.000 0.460 75 D N -0.574 119.731 120.400 -0.158 0.000 2.097 75 D HA -0.060 4.581 4.640 0.001 0.000 0.197 75 D C 2.123 178.454 176.300 0.051 0.000 0.984 75 D CA 0.557 54.484 54.000 -0.122 0.000 0.826 75 D CB -0.028 40.612 40.800 -0.266 0.000 0.973 75 D HN 0.068 nan 8.370 nan 0.000 0.460 76 L N 0.160 121.383 121.223 -0.001 0.000 2.042 76 L HA -0.141 4.200 4.340 0.001 0.000 0.210 76 L C 2.705 179.626 176.870 0.085 0.000 1.076 76 L CA 1.158 56.021 54.840 0.038 0.000 0.749 76 L CB -0.358 41.677 42.059 -0.039 0.000 0.893 76 L HN 0.048 nan 8.230 nan 0.000 0.432 77 R N -0.320 120.206 120.500 0.043 0.000 2.091 77 R HA -0.161 4.180 4.340 0.001 0.000 0.238 77 R C 2.350 178.652 176.300 0.002 0.000 1.136 77 R CA 1.259 57.378 56.100 0.032 0.000 0.959 77 R CB -0.396 29.916 30.300 0.021 0.000 0.856 77 R HN 0.388 nan 8.270 nan 0.000 0.437 78 R N -0.403 120.073 120.500 -0.040 0.000 2.159 78 R HA -0.163 4.178 4.340 0.001 0.000 0.237 78 R C 1.178 177.312 176.300 -0.277 0.000 1.131 78 R CA 1.339 57.337 56.100 -0.170 0.000 0.982 78 R CB -0.138 30.006 30.300 -0.260 0.000 0.868 78 R HN 0.353 nan 8.270 nan 0.000 0.453 79 Y N -0.214 120.062 120.300 -0.040 0.000 2.468 79 Y HA 0.109 4.660 4.550 0.001 0.000 0.268 79 Y C 0.749 176.637 175.900 -0.020 0.000 1.177 79 Y CA -0.096 57.981 58.100 -0.038 0.000 1.265 79 Y CB 0.615 39.037 38.460 -0.062 0.000 1.103 79 Y HN -0.091 nan 8.280 nan 0.000 0.522 80 S N -0.421 115.326 115.700 0.078 0.000 3.635 80 S HA -0.143 4.328 4.470 0.001 0.000 0.328 80 S C -0.029 174.626 174.600 0.092 0.000 1.135 80 S CA 0.327 58.566 58.200 0.065 0.000 0.942 80 S CB -1.995 61.233 63.200 0.047 0.000 0.930 80 S HN 0.119 nan 8.310 nan 0.000 0.512 81 V N 2.412 122.392 119.914 0.109 0.000 2.488 81 V HA 0.190 4.311 4.120 0.001 0.000 0.277 81 V C 0.793 176.959 176.094 0.121 0.000 1.046 81 V CA -0.537 61.832 62.300 0.116 0.000 0.986 81 V CB 1.178 33.061 31.823 0.101 0.000 0.989 81 V HN 0.422 nan 8.190 nan 0.000 0.475 82 D N 4.425 124.908 120.400 0.139 0.000 2.401 82 D HA 0.087 4.727 4.640 0.001 0.000 0.254 82 D C 0.419 176.806 176.300 0.146 0.000 1.192 82 D CA 0.260 54.337 54.000 0.129 0.000 0.885 82 D CB 1.109 41.999 40.800 0.149 0.000 1.147 82 D HN 0.487 nan 8.370 nan 0.000 0.478 83 L N 4.375 125.661 121.223 0.104 0.000 2.857 83 L HA 0.188 4.528 4.340 0.001 0.000 0.249 83 L C 2.287 179.192 176.870 0.057 0.000 1.172 83 L CA -0.350 54.562 54.840 0.119 0.000 0.980 83 L CB 0.073 42.208 42.059 0.127 0.000 1.299 83 L HN 0.386 nan 8.230 nan 0.000 0.535 84 R N 0.638 121.109 120.500 -0.049 0.000 2.119 84 R HA -0.224 4.116 4.340 0.001 0.000 0.246 84 R C 0.926 177.049 176.300 -0.294 0.000 1.146 84 R CA 2.047 57.995 56.100 -0.254 0.000 0.962 84 R CB -0.122 29.864 30.300 -0.523 0.000 0.863 84 R HN 0.373 nan 8.270 nan 0.000 0.442 85 Y N 0.271 120.614 120.300 0.071 0.000 2.571 85 Y HA 0.175 4.725 4.550 0.001 0.000 0.275 85 Y C 0.129 176.018 175.900 -0.019 0.000 1.179 85 Y CA -0.586 57.527 58.100 0.022 0.000 1.242 85 Y CB 0.687 39.140 38.460 -0.012 0.000 1.126 85 Y HN -0.090 nan 8.280 nan 0.000 0.524 86 T N 1.546 116.149 114.554 0.083 0.000 2.905 86 T HA 0.051 4.402 4.350 0.001 0.000 0.299 86 T C 0.238 174.872 174.700 -0.109 0.000 1.024 86 T CA 0.138 62.194 62.100 -0.074 0.000 1.151 86 T CB 0.733 69.477 68.868 -0.207 0.000 0.987 86 T HN -0.098 nan 8.240 nan 0.000 0.535 87 V N 5.421 125.234 119.914 -0.169 0.000 2.288 87 V HA 0.279 4.400 4.120 0.001 0.000 0.266 87 V C -0.016 175.979 176.094 -0.165 0.000 1.048 87 V CA -0.732 61.520 62.300 -0.080 0.000 0.842 87 V CB -0.613 31.191 31.823 -0.032 0.000 1.064 87 V HN 0.709 nan 8.190 nan 0.000 0.472 88 F N 3.554 123.532 119.950 0.046 0.000 2.504 88 F HA 0.334 4.862 4.527 0.001 0.000 0.369 88 F C 0.972 176.789 175.800 0.028 0.000 1.082 88 F CA 0.257 58.280 58.000 0.038 0.000 1.216 88 F CB 0.599 39.620 39.000 0.034 0.000 1.108 88 F HN 0.410 nan 8.300 nan 0.000 0.554 89 Q N 1.231 121.126 119.800 0.157 0.000 2.257 89 Q HA 0.298 4.638 4.340 0.001 0.000 0.262 89 Q C 0.730 176.790 176.000 0.100 0.000 0.997 89 Q CA -0.287 55.572 55.803 0.094 0.000 0.873 89 Q CB 1.722 30.484 28.738 0.041 0.000 1.312 89 Q HN 0.751 nan 8.270 nan 0.000 0.450 90 T N -3.591 111.003 114.554 0.066 0.000 3.040 90 T HA 0.111 4.461 4.350 0.001 0.000 0.250 90 T C 0.730 175.451 174.700 0.034 0.000 1.058 90 T CA 0.203 62.335 62.100 0.053 0.000 0.988 90 T CB 0.094 68.986 68.868 0.040 0.000 0.993 90 T HN 0.619 nan 8.240 nan 0.000 0.519 91 T N -1.682 112.888 114.554 0.027 0.000 2.907 91 T HA 0.704 5.054 4.350 0.001 0.000 0.290 91 T C 0.556 175.259 174.700 0.006 0.000 1.066 91 T CA -0.260 61.848 62.100 0.013 0.000 1.012 91 T CB 1.431 70.302 68.868 0.005 0.000 1.184 91 T HN 1.074 nan 8.240 nan 0.000 0.522 92 G N 0.896 109.692 108.800 -0.007 0.000 2.796 92 G HA2 0.270 4.230 3.960 0.001 0.000 0.226 92 G HA3 0.270 4.230 3.960 0.001 0.000 0.226 92 G C -0.208 174.681 174.900 -0.018 0.000 1.381 92 G CA -0.147 44.938 45.100 -0.024 0.000 0.867 92 G HN 2.182 nan 8.290 nan 0.000 0.552 93 S N -2.439 113.238 115.700 -0.039 0.000 2.638 93 S HA 0.720 5.190 4.470 0.001 0.000 0.274 93 S C -0.359 174.212 174.600 -0.048 0.000 1.157 93 S CA -0.297 57.887 58.200 -0.028 0.000 0.826 93 S CB 1.703 64.890 63.200 -0.021 0.000 1.139 93 S HN 1.790 nan 8.310 nan 0.000 0.474 94 V N 3.505 123.400 119.914 -0.032 0.000 2.540 94 V HA 0.223 4.343 4.120 0.001 0.000 0.297 94 V C -1.748 174.291 176.094 -0.093 0.000 1.024 94 V CA -0.716 61.558 62.300 -0.043 0.000 1.105 94 V CB -0.426 31.382 31.823 -0.026 0.000 0.938 94 V HN 0.764 nan 8.190 nan 0.000 0.482 95 P HA 0.240 nan 4.420 nan 0.000 0.270 95 P C -0.859 176.316 177.300 -0.207 0.000 1.223 95 P CA -0.148 62.821 63.100 -0.218 0.000 0.785 95 P CB 0.879 32.441 31.700 -0.230 0.000 0.923 96 I N 0.448 120.863 120.570 -0.259 0.000 2.465 96 I HA 0.487 4.658 4.170 0.001 0.000 0.291 96 I C 0.091 176.091 176.117 -0.195 0.000 1.014 96 I CA -1.219 59.970 61.300 -0.184 0.000 1.093 96 I CB 1.265 39.209 38.000 -0.094 0.000 1.267 96 I HN 0.361 nan 8.210 nan 0.000 0.431 97 A N 4.402 127.170 122.820 -0.086 0.000 2.318 97 A HA 0.732 5.053 4.320 0.001 0.000 0.317 97 A C -0.198 177.393 177.584 0.012 0.000 1.159 97 A CA -0.455 51.600 52.037 0.030 0.000 0.799 97 A CB 0.809 19.922 19.000 0.188 0.000 1.194 97 A HN 0.645 nan 8.150 nan 0.000 0.479 98 T N 2.397 116.968 114.554 0.028 0.000 2.733 98 T HA 0.480 4.830 4.350 0.001 0.000 0.294 98 T C -0.328 174.399 174.700 0.045 0.000 0.956 98 T CA -0.053 62.058 62.100 0.018 0.000 0.987 98 T CB 0.476 69.346 68.868 0.003 0.000 0.920 98 T HN 0.424 nan 8.240 nan 0.000 0.470 99 V N 5.773 125.712 119.914 0.043 0.000 2.409 99 V HA 0.473 4.594 4.120 0.001 0.000 0.291 99 V C -0.049 176.076 176.094 0.052 0.000 1.020 99 V CA -0.880 61.453 62.300 0.055 0.000 0.848 99 V CB 1.533 33.387 31.823 0.052 0.000 0.990 99 V HN 0.797 nan 8.190 nan 0.000 0.430 100 I N 5.893 126.504 120.570 0.068 0.000 2.312 100 I HA 0.452 4.622 4.170 0.001 0.000 0.290 100 I C -0.410 175.760 176.117 0.088 0.000 1.008 100 I CA -0.200 61.144 61.300 0.072 0.000 1.226 100 I CB 1.227 39.281 38.000 0.091 0.000 1.371 100 I HN 0.420 nan 8.210 nan 0.000 0.468 101 I N 6.006 126.614 120.570 0.062 0.000 2.330 101 I HA 0.184 4.355 4.170 0.001 0.000 0.289 101 I C 0.077 176.232 176.117 0.064 0.000 1.001 101 I CA -0.565 60.768 61.300 0.054 0.000 1.193 101 I CB 1.287 39.302 38.000 0.025 0.000 1.345 101 I HN 0.533 nan 8.210 nan 0.000 0.461 102 N N 6.221 124.972 118.700 0.085 0.000 2.402 102 N HA -0.028 4.713 4.740 0.001 0.000 0.252 102 N C 0.946 176.483 175.510 0.046 0.000 1.118 102 N CA 0.365 53.468 53.050 0.088 0.000 0.945 102 N CB 0.787 39.351 38.487 0.127 0.000 1.147 102 N HN 0.590 nan 8.380 nan 0.000 0.495 103 E N 3.137 123.358 120.200 0.034 0.000 2.267 103 E HA -0.198 4.152 4.350 0.001 0.000 0.197 103 E C 1.041 177.652 176.600 0.018 0.000 0.998 103 E CA 1.004 57.416 56.400 0.020 0.000 0.830 103 E CB 0.147 29.855 29.700 0.015 0.000 0.751 103 E HN 0.733 nan 8.360 nan 0.000 0.491 104 A N 0.459 123.294 122.820 0.025 0.000 2.014 104 A HA -0.090 4.230 4.320 0.001 0.000 0.218 104 A C 2.112 179.705 177.584 0.015 0.000 1.163 104 A CA 1.606 53.656 52.037 0.021 0.000 0.652 104 A CB -0.032 18.984 19.000 0.027 0.000 0.808 104 A HN 0.361 nan 8.150 nan 0.000 0.449 105 S N -4.023 111.686 115.700 0.015 0.000 2.687 105 S HA 0.422 4.892 4.470 0.001 0.000 0.247 105 S C 1.361 175.961 174.600 -0.001 0.000 1.050 105 S CA 1.146 59.349 58.200 0.005 0.000 1.063 105 S CB 0.127 63.326 63.200 -0.002 0.000 1.039 105 S HN 1.872 nan 8.310 nan 0.000 0.580 106 G N 2.315 111.117 108.800 0.003 0.000 2.189 106 G HA2 -0.338 3.622 3.960 0.001 0.000 0.267 106 G HA3 -0.338 3.622 3.960 0.001 0.000 0.267 106 G C 0.324 175.219 174.900 -0.008 0.000 0.975 106 G CA 0.478 45.575 45.100 -0.005 0.000 0.644 106 G HN 1.639 nan 8.290 nan 0.000 0.537 107 S N 0.264 115.960 115.700 -0.007 0.000 2.560 107 S HA 0.439 4.909 4.470 0.001 0.000 0.276 107 S C 0.478 175.080 174.600 0.003 0.000 1.350 107 S CA 0.787 58.976 58.200 -0.019 0.000 1.024 107 S CB 1.318 64.490 63.200 -0.047 0.000 0.864 107 S HN 1.446 nan 8.310 nan 0.000 0.536 108 R N 0.834 121.331 120.500 -0.003 0.000 2.574 108 R HA 0.503 4.843 4.340 0.001 0.000 0.288 108 R C -1.851 174.465 176.300 0.027 0.000 1.004 108 R CA -0.478 55.636 56.100 0.022 0.000 0.895 108 R CB 0.927 31.234 30.300 0.012 0.000 1.191 108 R HN 0.651 nan 8.270 nan 0.000 0.444 109 T N 5.066 119.664 114.554 0.074 0.000 2.812 109 T HA 0.528 4.879 4.350 0.001 0.000 0.282 109 T C 0.059 174.815 174.700 0.093 0.000 0.990 109 T CA -0.502 61.653 62.100 0.090 0.000 0.960 109 T CB 1.076 70.062 68.868 0.197 0.000 0.948 109 T HN 0.504 nan 8.240 nan 0.000 0.438 110 I N 4.134 124.750 120.570 0.077 0.000 2.389 110 I HA 0.390 4.560 4.170 0.001 0.000 0.288 110 I C -0.557 175.626 176.117 0.109 0.000 0.999 110 I CA -0.885 60.469 61.300 0.090 0.000 1.129 110 I CB 1.474 39.524 38.000 0.082 0.000 1.288 110 I HN 0.339 nan 8.210 nan 0.000 0.444 111 L N 6.845 128.135 121.223 0.113 0.000 2.280 111 L HA 0.426 4.766 4.340 0.001 0.000 0.287 111 L C -0.912 176.060 176.870 0.169 0.000 1.023 111 L CA -0.709 54.203 54.840 0.119 0.000 0.819 111 L CB 0.895 42.994 42.059 0.068 0.000 1.212 111 L HN 0.509 nan 8.230 nan 0.000 0.420 112 Y N 3.952 124.287 120.300 0.057 0.000 2.387 112 Y HA 0.442 4.992 4.550 0.001 0.000 0.336 112 Y C -1.114 174.870 175.900 0.141 0.000 1.067 112 Y CA -0.680 57.463 58.100 0.072 0.000 1.114 112 Y CB 1.692 40.174 38.460 0.037 0.000 1.208 112 Y HN 0.431 nan 8.280 nan 0.000 0.458 113 Y N 5.398 125.396 120.300 -0.504 0.000 2.344 113 Y HA 0.294 4.844 4.550 0.001 0.000 0.328 113 Y C -1.121 174.523 175.900 -0.426 0.000 1.067 113 Y CA -1.617 56.299 58.100 -0.306 0.000 1.247 113 Y CB 0.563 38.901 38.460 -0.203 0.000 1.113 113 Y HN 0.725 nan 8.280 nan 0.000 0.465 114 D N 3.844 123.942 120.400 -0.503 0.000 2.455 114 D HA 0.173 4.814 4.640 0.001 0.000 0.241 114 D C 0.127 176.004 176.300 -0.705 0.000 1.138 114 D CA 0.490 54.217 54.000 -0.454 0.000 0.877 114 D CB 0.791 41.486 40.800 -0.174 0.000 1.187 114 D HN 0.679 nan 8.370 nan 0.000 0.451 115 R N 2.128 122.339 120.500 -0.482 0.000 2.767 115 R HA 0.169 4.510 4.340 0.001 0.000 0.377 115 R C 0.074 176.254 176.300 -0.201 0.000 1.151 115 R CA -0.265 55.603 56.100 -0.386 0.000 1.046 115 R CB 0.079 30.194 30.300 -0.308 0.000 1.404 115 R HN 0.410 nan 8.270 nan 0.000 0.580 116 S N 0.706 116.305 115.700 -0.169 0.000 3.402 116 S HA -0.186 4.285 4.470 0.001 0.000 0.329 116 S C 0.289 174.849 174.600 -0.067 0.000 1.194 116 S CA 0.623 58.764 58.200 -0.099 0.000 0.951 116 S CB -1.101 62.048 63.200 -0.085 0.000 0.975 116 S HN 0.427 nan 8.310 nan 0.000 0.574 117 L N 2.600 123.783 121.223 -0.067 0.000 2.513 117 L HA 0.324 4.664 4.340 0.001 0.000 0.272 117 L C -1.966 174.885 176.870 -0.031 0.000 1.187 117 L CA -1.092 53.724 54.840 -0.040 0.000 0.895 117 L CB -0.078 41.959 42.059 -0.035 0.000 1.147 117 L HN -0.141 nan 8.230 nan 0.000 0.483 118 P HA 0.104 nan 4.420 nan 0.000 0.268 118 P C -1.100 176.185 177.300 -0.024 0.000 1.205 118 P CA -0.175 62.912 63.100 -0.022 0.000 0.771 118 P CB 0.412 32.104 31.700 -0.013 0.000 0.858 119 D N 0.806 121.187 120.400 -0.031 0.000 2.344 119 D HA 0.072 4.712 4.640 0.001 0.000 0.244 119 D C 0.135 176.410 176.300 -0.042 0.000 1.134 119 D CA -0.156 53.821 54.000 -0.039 0.000 0.930 119 D CB 0.712 41.481 40.800 -0.050 0.000 1.175 119 D HN 0.014 nan 8.370 nan 0.000 0.437 120 V N 1.722 121.604 119.914 -0.054 0.000 2.599 120 V HA 0.034 4.154 4.120 0.001 0.000 0.300 120 V C 0.915 176.978 176.094 -0.051 0.000 1.034 120 V CA 0.265 62.534 62.300 -0.052 0.000 1.115 120 V CB 0.528 32.305 31.823 -0.076 0.000 0.934 120 V HN 0.603 nan 8.190 nan 0.000 0.485 121 S N 4.172 119.856 115.700 -0.026 0.000 2.681 121 S HA 0.686 5.157 4.470 0.001 0.000 0.299 121 S C 1.160 175.757 174.600 -0.005 0.000 1.113 121 S CA -0.181 58.003 58.200 -0.028 0.000 1.013 121 S CB 1.894 65.084 63.200 -0.017 0.000 1.076 121 S HN 0.977 nan 8.310 nan 0.000 0.534 122 A N 1.394 124.200 122.820 -0.023 0.000 1.940 122 A HA -0.031 4.289 4.320 0.001 0.000 0.219 122 A C 2.107 179.727 177.584 0.060 0.000 1.176 122 A CA 2.308 54.348 52.037 0.005 0.000 0.631 122 A CB -1.847 17.134 19.000 -0.031 0.000 0.814 122 A HN 0.886 nan 8.150 nan 0.000 0.446 123 T N 0.040 114.611 114.554 0.029 0.000 2.777 123 T HA -0.104 4.247 4.350 0.001 0.000 0.266 123 T C 1.513 176.231 174.700 0.029 0.000 1.040 123 T CA 1.308 63.424 62.100 0.027 0.000 1.141 123 T CB -0.390 68.486 68.868 0.014 0.000 0.868 123 T HN 0.476 nan 8.240 nan 0.000 0.444 124 D N 0.722 121.142 120.400 0.033 0.000 2.116 124 D HA -0.092 4.548 4.640 0.001 0.000 0.193 124 D C 1.696 178.007 176.300 0.018 0.000 0.998 124 D CA 0.979 54.997 54.000 0.030 0.000 0.836 124 D CB -0.426 40.391 40.800 0.028 0.000 0.951 124 D HN 0.348 nan 8.370 nan 0.000 0.449 125 F N 1.723 121.610 119.950 -0.105 0.000 2.293 125 F HA -0.081 4.446 4.527 0.001 0.000 0.300 125 F C 2.099 177.818 175.800 -0.135 0.000 1.086 125 F CA 1.022 58.930 58.000 -0.154 0.000 1.375 125 F CB 0.013 38.915 39.000 -0.163 0.000 1.045 125 F HN -0.114 nan 8.300 nan 0.000 0.516 126 E N 0.164 120.341 120.200 -0.038 0.000 2.219 126 E HA -0.251 4.100 4.350 0.001 0.000 0.198 126 E C 1.762 178.263 176.600 -0.165 0.000 0.998 126 E CA 1.329 57.678 56.400 -0.086 0.000 0.818 126 E CB -0.135 29.562 29.700 -0.006 0.000 0.741 126 E HN 0.485 nan 8.360 nan 0.000 0.477 127 K N 0.367 120.667 120.400 -0.167 0.000 2.432 127 K HA 0.039 4.359 4.320 0.001 0.000 0.196 127 K C 0.198 176.683 176.600 -0.191 0.000 1.038 127 K CA 0.059 56.282 56.287 -0.105 0.000 0.986 127 K CB 0.446 32.947 32.500 0.000 0.000 0.782 127 K HN -0.063 nan 8.250 nan 0.000 0.485 128 V N 2.909 122.503 119.914 -0.534 0.000 2.572 128 V HA -0.056 4.064 4.120 0.001 0.000 0.291 128 V C 0.141 176.042 176.094 -0.321 0.000 1.039 128 V CA -0.340 61.507 62.300 -0.756 0.000 1.055 128 V CB 0.752 31.863 31.823 -1.186 0.000 0.969 128 V HN 0.169 nan 8.190 nan 0.000 0.482 129 D N 4.453 124.825 120.400 -0.048 0.000 2.402 129 D HA 0.138 4.779 4.640 0.001 0.000 0.235 129 D C 1.000 177.288 176.300 -0.019 0.000 1.226 129 D CA 0.066 54.066 54.000 -0.001 0.000 0.918 129 D CB 0.573 41.408 40.800 0.057 0.000 1.043 129 D HN 0.474 nan 8.370 nan 0.000 0.506 130 L N 2.585 123.754 121.223 -0.089 0.000 2.191 130 L HA -0.159 4.181 4.340 0.001 0.000 0.212 130 L C 2.424 179.226 176.870 -0.113 0.000 1.103 130 L CA 1.439 56.198 54.840 -0.135 0.000 0.769 130 L CB -0.729 41.046 42.059 -0.473 0.000 0.908 130 L HN 0.506 nan 8.230 nan 0.000 0.438 131 T N -3.780 110.745 114.554 -0.048 0.000 2.977 131 T HA -0.176 4.175 4.350 0.001 0.000 0.271 131 T C 1.679 176.323 174.700 -0.094 0.000 1.105 131 T CA 0.721 62.827 62.100 0.010 0.000 1.116 131 T CB -0.123 68.770 68.868 0.042 0.000 0.878 131 T HN 0.307 nan 8.240 nan 0.000 0.509 132 Q N 0.005 119.642 119.800 -0.273 0.000 2.389 132 Q HA 0.258 4.598 4.340 0.001 0.000 0.204 132 Q C -0.292 175.320 176.000 -0.647 0.000 0.944 132 Q CA 0.416 55.887 55.803 -0.553 0.000 0.908 132 Q CB 0.050 28.273 28.738 -0.858 0.000 1.002 132 Q HN 0.645 nan 8.270 nan 0.000 0.493 133 F N 0.358 120.334 119.950 0.043 0.000 2.508 133 F HA 0.236 4.763 4.527 0.001 0.000 0.325 133 F C 1.133 176.986 175.800 0.089 0.000 1.090 133 F CA -0.954 57.091 58.000 0.076 0.000 0.945 133 F CB 1.395 40.437 39.000 0.071 0.000 1.156 133 F HN -0.172 nan 8.300 nan 0.000 0.463 134 K N 0.770 121.363 120.400 0.321 0.000 2.354 134 K HA 0.124 4.444 4.320 0.001 0.000 0.194 134 K C -0.432 176.368 176.600 0.334 0.000 1.038 134 K CA 0.053 56.495 56.287 0.260 0.000 1.052 134 K CB 1.144 33.777 32.500 0.221 0.000 0.861 134 K HN 0.540 nan 8.250 nan 0.000 0.535 135 W N 1.199 122.600 121.300 0.170 0.000 3.425 135 W HA 0.469 5.129 4.660 0.001 0.000 0.318 135 W C -2.162 174.423 176.519 0.110 0.000 1.201 135 W CA -1.282 56.141 57.345 0.131 0.000 1.212 135 W CB 1.338 30.870 29.460 0.120 0.000 1.355 135 W HN -0.150 nan 8.180 nan 0.000 0.515 136 I N 5.157 125.876 120.570 0.248 0.000 2.447 136 I HA 0.111 4.281 4.170 0.001 0.000 0.287 136 I C -0.711 175.587 176.117 0.302 0.000 1.023 136 I CA -0.783 60.638 61.300 0.203 0.000 1.083 136 I CB 2.072 40.093 38.000 0.035 0.000 1.245 136 I HN 0.319 nan 8.210 nan 0.000 0.434 137 H N 7.158 126.384 119.070 0.260 0.000 2.476 137 H HA 0.609 5.166 4.556 0.001 0.000 0.328 137 H C -1.183 174.192 175.328 0.079 0.000 1.073 137 H CA -0.307 55.890 56.048 0.248 0.000 1.229 137 H CB 1.176 31.100 29.762 0.270 0.000 1.432 137 H HN 0.433 nan 8.280 nan 0.000 0.477 138 I N 4.749 125.002 120.570 -0.528 0.000 2.382 138 I HA 0.137 4.307 4.170 0.001 0.000 0.286 138 I C -0.047 175.760 176.117 -0.517 0.000 1.002 138 I CA -0.672 60.358 61.300 -0.450 0.000 1.135 138 I CB 1.469 39.280 38.000 -0.316 0.000 1.288 138 I HN 0.632 nan 8.210 nan 0.000 0.448 139 E N 5.783 125.774 120.200 -0.350 0.000 2.265 139 E HA 0.193 4.543 4.350 0.001 0.000 0.272 139 E C 0.334 176.856 176.600 -0.131 0.000 1.067 139 E CA -0.446 55.857 56.400 -0.161 0.000 0.900 139 E CB 0.930 30.610 29.700 -0.033 0.000 1.017 139 E HN 0.790 nan 8.360 nan 0.000 0.431 140 G N 4.467 113.209 108.800 -0.097 0.000 2.299 140 G HA2 0.023 3.983 3.960 0.001 0.000 0.256 140 G HA3 0.023 3.983 3.960 0.001 0.000 0.256 140 G C 0.168 175.004 174.900 -0.107 0.000 1.259 140 G CA -0.106 44.929 45.100 -0.107 0.000 0.943 140 G HN 0.744 nan 8.290 nan 0.000 0.479 141 R N 1.511 121.935 120.500 -0.125 0.000 5.328 141 R HA 0.039 4.379 4.340 0.001 0.000 0.106 141 R C -0.162 176.065 176.300 -0.122 0.000 1.206 141 R CA -0.155 55.877 56.100 -0.113 0.000 0.839 141 R CB 0.075 30.320 30.300 -0.091 0.000 1.258 141 R HN 0.586 nan 8.270 nan 0.000 0.391 142 N N 1.619 120.247 118.700 -0.121 0.000 2.918 142 N HA 0.169 4.909 4.740 0.001 0.000 0.247 142 N C 0.141 175.567 175.510 -0.141 0.000 1.117 142 N CA 0.344 53.323 53.050 -0.118 0.000 1.005 142 N CB 1.523 39.951 38.487 -0.099 0.000 1.297 142 N HN 0.433 nan 8.380 nan 0.000 0.513 143 A N 2.087 124.817 122.820 -0.150 0.000 1.933 143 A HA -0.212 4.109 4.320 0.001 0.000 0.218 143 A C 2.260 179.744 177.584 -0.167 0.000 1.175 143 A CA 1.811 53.747 52.037 -0.169 0.000 0.628 143 A CB -0.753 18.146 19.000 -0.168 0.000 0.814 143 A HN 0.724 nan 8.150 nan 0.000 0.444 144 S N -0.343 115.276 115.700 -0.134 0.000 2.382 144 S HA -0.176 4.294 4.470 0.001 0.000 0.228 144 S C 1.654 176.174 174.600 -0.133 0.000 1.027 144 S CA 1.467 59.596 58.200 -0.117 0.000 0.991 144 S CB -0.349 62.800 63.200 -0.084 0.000 0.823 144 S HN 0.543 nan 8.310 nan 0.000 0.469 145 E N 1.462 121.582 120.200 -0.134 0.000 2.107 145 E HA -0.055 4.296 4.350 0.001 0.000 0.191 145 E C 2.369 178.845 176.600 -0.206 0.000 0.982 145 E CA 1.016 57.332 56.400 -0.141 0.000 0.809 145 E CB -0.453 29.177 29.700 -0.116 0.000 0.756 145 E HN 0.754 nan 8.360 nan 0.000 0.459 146 Q N 0.349 120.005 119.800 -0.239 0.000 2.167 146 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 146 Q C 2.307 178.064 176.000 -0.405 0.000 0.970 146 Q CA 0.803 56.411 55.803 -0.324 0.000 0.855 146 Q CB 0.034 28.597 28.738 -0.292 0.000 0.911 146 Q HN 0.061 nan 8.270 nan 0.000 0.438 147 V N 1.502 121.180 119.914 -0.393 0.000 2.407 147 V HA -0.290 3.830 4.120 0.001 0.000 0.248 147 V C 1.988 177.821 176.094 -0.436 0.000 1.055 147 V CA 1.832 63.791 62.300 -0.568 0.000 1.049 147 V CB -0.370 31.205 31.823 -0.414 0.000 0.662 147 V HN 0.335 nan 8.190 nan 0.000 0.455 148 K N -0.430 119.808 120.400 -0.271 0.000 2.057 148 K HA -0.142 4.178 4.320 0.001 0.000 0.207 148 K C 2.130 178.613 176.600 -0.194 0.000 1.049 148 K CA 1.605 57.787 56.287 -0.174 0.000 0.931 148 K CB -0.301 32.134 32.500 -0.109 0.000 0.714 148 K HN 0.420 nan 8.250 nan 0.000 0.440 149 M N 0.780 120.185 119.600 -0.325 0.000 2.117 149 M HA -0.162 4.318 4.480 0.001 0.000 0.262 149 M C 2.173 178.212 176.300 -0.436 0.000 1.065 149 M CA 1.611 56.588 55.300 -0.538 0.000 1.114 149 M CB -0.506 31.407 32.600 -1.145 0.000 1.361 149 M HN 0.064 nan 8.290 nan 0.000 0.408 150 L N -0.181 120.787 121.223 -0.425 0.000 2.093 150 L HA -0.203 4.137 4.340 0.001 0.000 0.208 150 L C 2.599 179.401 176.870 -0.114 0.000 1.085 150 L CA 1.293 55.953 54.840 -0.299 0.000 0.755 150 L CB -0.581 41.207 42.059 -0.452 0.000 0.904 150 L HN 0.361 nan 8.230 nan 0.000 0.435 151 Q N -0.479 119.247 119.800 -0.123 0.000 2.124 151 Q HA -0.244 4.097 4.340 0.001 0.000 0.202 151 Q C 2.308 178.333 176.000 0.041 0.000 0.977 151 Q CA 1.497 57.308 55.803 0.012 0.000 0.850 151 Q CB -0.153 28.588 28.738 0.004 0.000 0.901 151 Q HN 0.357 nan 8.270 nan 0.000 0.429 152 R N 0.721 121.246 120.500 0.042 0.000 2.081 152 R HA -0.139 4.201 4.340 0.001 0.000 0.235 152 R C 2.013 178.400 176.300 0.145 0.000 1.131 152 R CA 1.264 57.431 56.100 0.112 0.000 0.960 152 R CB -0.175 30.235 30.300 0.183 0.000 0.856 152 R HN 0.238 nan 8.270 nan 0.000 0.436 153 I N 1.037 121.686 120.570 0.132 0.000 2.226 153 I HA -0.262 3.908 4.170 0.001 0.000 0.245 153 I C 1.729 177.924 176.117 0.130 0.000 1.100 153 I CA 1.199 62.574 61.300 0.124 0.000 1.374 153 I CB -0.406 37.635 38.000 0.068 0.000 1.057 153 I HN 0.195 nan 8.210 nan 0.000 0.413 154 D N 1.343 121.801 120.400 0.096 0.000 2.092 154 D HA -0.191 4.449 4.640 0.001 0.000 0.193 154 D C 2.311 178.666 176.300 0.091 0.000 0.994 154 D CA 1.818 55.870 54.000 0.088 0.000 0.828 154 D CB -0.300 40.553 40.800 0.088 0.000 0.963 154 D HN 0.341 nan 8.370 nan 0.000 0.450 155 A N 0.361 123.236 122.820 0.092 0.000 1.917 155 A HA -0.280 4.040 4.320 0.001 0.000 0.219 155 A C 2.058 179.696 177.584 0.090 0.000 1.182 155 A CA 2.351 54.435 52.037 0.077 0.000 0.633 155 A CB -1.120 17.924 19.000 0.072 0.000 0.819 155 A HN 0.465 nan 8.150 nan 0.000 0.448 156 H N -0.004 119.087 119.070 0.034 0.000 2.353 156 H HA -0.105 4.451 4.556 0.001 0.000 0.300 156 H C 1.963 177.305 175.328 0.024 0.000 1.090 156 H CA 1.986 58.052 56.048 0.031 0.000 1.327 156 H CB -0.082 29.706 29.762 0.043 0.000 1.383 156 H HN 0.416 nan 8.280 nan 0.000 0.508 157 N N -0.315 118.473 118.700 0.147 0.000 2.223 157 N HA -0.136 4.604 4.740 0.001 0.000 0.185 157 N C 2.045 177.545 175.510 -0.016 0.000 1.016 157 N CA 1.708 54.803 53.050 0.076 0.000 0.863 157 N CB -0.687 37.858 38.487 0.097 0.000 0.983 157 N HN 0.689 nan 8.380 nan 0.000 0.429 158 T N -1.113 113.434 114.554 -0.012 0.000 2.849 158 T HA -0.071 4.279 4.350 0.001 0.000 0.270 158 T C 1.577 176.248 174.700 -0.048 0.000 1.066 158 T CA 0.899 62.986 62.100 -0.021 0.000 1.130 158 T CB -0.129 68.734 68.868 -0.009 0.000 0.864 158 T HN 0.199 nan 8.240 nan 0.000 0.481 159 R N 1.127 121.572 120.500 -0.091 0.000 2.334 159 R HA 0.238 4.578 4.340 0.001 0.000 0.220 159 R C 0.165 176.386 176.300 -0.132 0.000 0.917 159 R CA 0.046 56.081 56.100 -0.109 0.000 1.073 159 R CB 0.183 30.407 30.300 -0.126 0.000 1.056 159 R HN 0.509 nan 8.270 nan 0.000 0.506 160 Q N 0.507 120.232 119.800 -0.125 0.000 2.348 160 Q HA 0.407 4.747 4.340 0.001 0.000 0.271 160 Q C -2.574 173.402 176.000 -0.042 0.000 1.067 160 Q CA -2.710 53.036 55.803 -0.094 0.000 0.839 160 Q CB 1.355 30.034 28.738 -0.099 0.000 1.354 160 Q HN -0.145 nan 8.270 nan 0.000 0.447 161 P HA 0.035 nan 4.420 nan 0.000 0.268 161 P C -1.822 175.476 177.300 -0.003 0.000 1.208 161 P CA -0.848 62.245 63.100 -0.012 0.000 0.777 161 P CB -0.078 31.618 31.700 -0.006 0.000 0.875 162 P HA -0.222 nan 4.420 nan 0.000 0.217 162 P C 1.282 178.587 177.300 0.009 0.000 1.151 162 P CA 2.266 65.368 63.100 0.002 0.000 0.849 162 P CB -0.359 31.341 31.700 0.000 0.000 0.787 163 E N -0.857 119.350 120.200 0.013 0.000 2.474 163 E HA -0.049 4.301 4.350 0.001 0.000 0.194 163 E C 1.705 178.324 176.600 0.032 0.000 1.041 163 E CA 0.596 57.009 56.400 0.021 0.000 0.874 163 E CB -0.797 28.913 29.700 0.017 0.000 0.914 163 E HN 0.228 nan 8.360 nan 0.000 0.498 164 Q N -0.099 119.721 119.800 0.033 0.000 2.247 164 Q HA 0.204 4.545 4.340 0.001 0.000 0.211 164 Q C -0.142 175.906 176.000 0.081 0.000 0.861 164 Q CA 0.081 55.916 55.803 0.054 0.000 0.949 164 Q CB 0.561 29.324 28.738 0.041 0.000 1.115 164 Q HN 0.442 nan 8.270 nan 0.000 0.507 165 K N 1.060 121.495 120.400 0.058 0.000 2.350 165 K HA 0.236 4.557 4.320 0.001 0.000 0.279 165 K C 0.123 176.765 176.600 0.070 0.000 1.027 165 K CA -0.101 56.229 56.287 0.072 0.000 0.969 165 K CB 0.982 33.500 32.500 0.029 0.000 0.954 165 K HN 0.050 nan 8.250 nan 0.000 0.474 166 I N 3.928 124.555 120.570 0.094 0.000 2.471 166 I HA 0.059 4.230 4.170 0.001 0.000 0.286 166 I C 0.787 176.853 176.117 -0.086 0.000 1.079 166 I CA -0.104 61.221 61.300 0.043 0.000 1.398 166 I CB 0.379 38.410 38.000 0.052 0.000 1.403 166 I HN 0.344 nan 8.210 nan 0.000 0.530 167 R N 4.802 125.176 120.500 -0.209 0.000 2.441 167 R HA 0.548 4.889 4.340 0.001 0.000 0.284 167 R C -0.878 174.913 176.300 -0.848 0.000 1.070 167 R CA -0.486 55.273 56.100 -0.567 0.000 1.047 167 R CB 1.445 31.244 30.300 -0.835 0.000 1.016 167 R HN 0.381 nan 8.270 nan 0.000 0.477 168 V N 2.015 121.503 119.914 -0.710 0.000 2.656 168 V HA 0.334 4.454 4.120 0.001 0.000 0.307 168 V C -0.411 175.525 176.094 -0.264 0.000 1.051 168 V CA -0.620 61.422 62.300 -0.431 0.000 0.893 168 V CB 2.037 33.754 31.823 -0.176 0.000 0.999 168 V HN 0.990 nan 8.190 nan 0.000 0.426 169 S N 3.358 119.116 115.700 0.096 0.000 2.568 169 S HA 0.930 5.400 4.470 0.001 0.000 0.293 169 S C -0.743 174.058 174.600 0.335 0.000 1.089 169 S CA -0.727 57.712 58.200 0.399 0.000 0.945 169 S CB 2.027 65.774 63.200 0.913 0.000 1.077 169 S HN 1.367 nan 8.310 nan 0.000 0.485 170 V N -1.205 118.894 119.914 0.309 0.000 2.962 170 V HA 0.773 4.893 4.120 0.001 0.000 0.313 170 V C -0.815 175.505 176.094 0.376 0.000 1.099 170 V CA -0.753 61.645 62.300 0.164 0.000 0.971 170 V CB 1.661 33.533 31.823 0.082 0.000 1.028 170 V HN 1.131 nan 8.190 nan 0.000 0.430 171 E N 2.157 122.503 120.200 0.243 0.000 2.187 171 E HA 0.674 5.024 4.350 0.001 0.000 0.268 171 E C -1.769 174.942 176.600 0.184 0.000 0.896 171 E CA -0.783 55.818 56.400 0.335 0.000 0.766 171 E CB 2.278 32.167 29.700 0.314 0.000 1.142 171 E HN 0.732 nan 8.360 nan 0.000 0.408 172 V N 5.497 125.556 119.914 0.241 0.000 2.304 172 V HA 0.169 4.289 4.120 0.001 0.000 0.278 172 V C 0.566 176.778 176.094 0.197 0.000 1.018 172 V CA -0.406 61.993 62.300 0.165 0.000 0.814 172 V CB 1.108 33.026 31.823 0.157 0.000 1.021 172 V HN 0.820 nan 8.190 nan 0.000 0.440 173 E N 2.841 123.107 120.200 0.110 0.000 2.391 173 E HA 0.153 4.503 4.350 0.001 0.000 0.206 173 E C 0.276 176.900 176.600 0.040 0.000 0.851 173 E CA 0.096 56.547 56.400 0.085 0.000 1.059 173 E CB 0.716 30.446 29.700 0.050 0.000 1.065 173 E HN 0.405 nan 8.360 nan 0.000 0.512 174 K N 2.440 122.839 120.400 -0.002 0.000 2.143 174 K HA 0.269 4.590 4.320 0.001 0.000 0.272 174 K C -2.309 174.274 176.600 -0.028 0.000 1.001 174 K CA -2.278 53.982 56.287 -0.046 0.000 0.915 174 K CB 1.031 33.469 32.500 -0.103 0.000 1.047 174 K HN 0.019 nan 8.250 nan 0.000 0.458 175 P HA 0.164 nan 4.420 nan 0.000 0.226 175 P C -0.752 176.373 177.300 -0.291 0.000 1.783 175 P CA -0.129 62.884 63.100 -0.145 0.000 0.980 175 P CB -0.015 31.453 31.700 -0.387 0.000 1.967 176 R N 0.857 121.171 120.500 -0.310 0.000 2.437 176 R HA 0.156 4.496 4.340 0.001 0.000 0.310 176 R C 1.298 177.127 176.300 -0.784 0.000 0.955 176 R CA -0.545 55.314 56.100 -0.402 0.000 0.851 176 R CB 1.320 31.453 30.300 -0.278 0.000 1.161 176 R HN -0.008 nan 8.270 nan 0.000 0.446 177 E N 3.261 123.060 120.200 -0.668 0.000 2.108 177 E HA -0.324 4.027 4.350 0.001 0.000 0.203 177 E C 1.297 177.475 176.600 -0.704 0.000 1.022 177 E CA 2.495 58.437 56.400 -0.764 0.000 0.823 177 E CB 0.157 29.717 29.700 -0.234 0.000 0.744 177 E HN 0.748 nan 8.360 nan 0.000 0.456 178 E N 0.186 120.127 120.200 -0.432 0.000 2.209 178 E HA -0.203 4.147 4.350 0.001 0.000 0.196 178 E C 2.148 178.552 176.600 -0.325 0.000 0.993 178 E CA 1.393 57.618 56.400 -0.292 0.000 0.819 178 E CB -0.484 29.092 29.700 -0.206 0.000 0.745 178 E HN 0.419 nan 8.360 nan 0.000 0.477 179 L N -0.074 120.868 121.223 -0.468 0.000 2.291 179 L HA 0.004 4.344 4.340 0.001 0.000 0.214 179 L C 2.193 178.859 176.870 -0.340 0.000 1.120 179 L CA 0.700 55.321 54.840 -0.365 0.000 0.799 179 L CB -0.398 41.473 42.059 -0.313 0.000 0.925 179 L HN 0.162 nan 8.230 nan 0.000 0.446 180 F N 0.854 120.601 119.950 -0.339 0.000 2.269 180 F HA -0.234 4.293 4.527 0.001 0.000 0.301 180 F C 2.723 178.318 175.800 -0.342 0.000 1.082 180 F CA 0.451 58.122 58.000 -0.549 0.000 1.360 180 F CB -0.343 38.564 39.000 -0.155 0.000 1.041 180 F HN 0.299 nan 8.300 nan 0.000 0.512 181 Q N 1.170 120.972 119.800 0.004 0.000 2.234 181 Q HA -0.186 4.154 4.340 0.001 0.000 0.206 181 Q C 1.831 177.913 176.000 0.137 0.000 0.980 181 Q CA 1.455 57.309 55.803 0.085 0.000 0.869 181 Q CB -0.728 28.050 28.738 0.068 0.000 0.912 181 Q HN 0.517 nan 8.270 nan 0.000 0.436 182 L N -0.147 121.077 121.223 0.001 0.000 2.362 182 L HA -0.027 4.314 4.340 0.001 0.000 0.219 182 L C 2.050 179.041 176.870 0.202 0.000 1.134 182 L CA 0.649 55.542 54.840 0.089 0.000 0.807 182 L CB -0.447 41.579 42.059 -0.056 0.000 0.927 182 L HN 0.196 nan 8.230 nan 0.000 0.447 183 F N 0.392 120.436 119.950 0.158 0.000 2.192 183 F HA -0.221 4.306 4.527 0.001 0.000 0.301 183 F C 2.292 178.090 175.800 -0.003 0.000 1.079 183 F CA 0.695 58.739 58.000 0.073 0.000 1.303 183 F CB -0.390 38.638 39.000 0.047 0.000 1.024 183 F HN 0.172 nan 8.300 nan 0.000 0.494 184 G N -1.936 106.958 108.800 0.157 0.000 3.026 184 G HA2 0.028 3.988 3.960 0.001 0.000 0.208 184 G HA3 0.028 3.988 3.960 0.001 0.000 0.208 184 G C -0.427 174.236 174.900 -0.395 0.000 1.169 184 G CA 0.027 45.043 45.100 -0.141 0.000 0.788 184 G HN 0.218 nan 8.290 nan 0.000 0.533 185 Y N -0.832 119.474 120.300 0.009 0.000 2.562 185 Y HA 0.594 5.144 4.550 0.001 0.000 0.343 185 Y C 0.720 176.604 175.900 -0.026 0.000 1.025 185 Y CA -0.381 57.705 58.100 -0.024 0.000 1.082 185 Y CB 2.152 40.585 38.460 -0.044 0.000 1.264 185 Y HN 0.365 nan 8.280 nan 0.000 0.478 186 G N 1.724 110.583 108.800 0.098 0.000 2.705 186 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 186 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 186 G C -0.276 174.603 174.900 -0.035 0.000 1.285 186 G CA -0.308 44.802 45.100 0.018 0.000 0.800 186 G HN 0.651 nan 8.290 nan 0.000 0.611 187 D N -0.936 119.408 120.400 -0.094 0.000 2.194 187 D HA 0.062 4.702 4.640 0.001 0.000 0.204 187 D C 1.193 177.457 176.300 -0.060 0.000 0.964 187 D CA 1.619 55.556 54.000 -0.104 0.000 0.846 187 D CB 0.486 41.164 40.800 -0.203 0.000 0.962 187 D HN 0.360 nan 8.370 nan 0.000 0.490 188 V N 1.524 121.414 119.914 -0.039 0.000 2.577 188 V HA 0.283 4.404 4.120 0.001 0.000 0.303 188 V C -0.251 175.804 176.094 -0.065 0.000 1.042 188 V CA -0.763 61.502 62.300 -0.057 0.000 0.872 188 V CB 2.735 34.562 31.823 0.007 0.000 0.998 188 V HN -0.261 nan 8.190 nan 0.000 0.423 189 V N 5.246 125.091 119.914 -0.114 0.000 2.407 189 V HA 0.513 4.633 4.120 0.001 0.000 0.291 189 V C -0.748 175.333 176.094 -0.022 0.000 1.018 189 V CA -0.458 61.860 62.300 0.030 0.000 0.842 189 V CB 1.466 33.357 31.823 0.113 0.000 0.996 189 V HN 0.682 nan 8.190 nan 0.000 0.426 190 F N 3.994 124.114 119.950 0.282 0.000 2.405 190 F HA 0.587 5.114 4.527 0.001 0.000 0.355 190 F C 0.184 176.155 175.800 0.285 0.000 1.121 190 F CA -0.521 57.651 58.000 0.286 0.000 1.112 190 F CB 1.753 40.939 39.000 0.310 0.000 1.126 190 F HN 0.301 nan 8.300 nan 0.000 0.481 191 V N 4.247 124.408 119.914 0.412 0.000 2.555 191 V HA 0.560 4.680 4.120 0.001 0.000 0.302 191 V C -0.223 176.047 176.094 0.294 0.000 1.038 191 V CA -0.545 61.980 62.300 0.375 0.000 0.887 191 V CB 1.852 33.871 31.823 0.327 0.000 0.991 191 V HN 0.833 nan 8.190 nan 0.000 0.434 192 S N 5.052 120.897 115.700 0.241 0.000 2.603 192 S HA 0.268 4.738 4.470 0.001 0.000 0.268 192 S C 1.110 175.753 174.600 0.073 0.000 1.317 192 S CA 0.137 58.415 58.200 0.129 0.000 1.012 192 S CB 1.116 64.361 63.200 0.075 0.000 0.926 192 S HN 0.914 nan 8.310 nan 0.000 0.539 193 K N 0.564 120.898 120.400 -0.109 0.000 2.103 193 K HA -0.235 4.086 4.320 0.001 0.000 0.207 193 K C 1.503 177.940 176.600 -0.272 0.000 1.048 193 K CA 2.069 58.085 56.287 -0.452 0.000 0.930 193 K CB -0.499 31.453 32.500 -0.914 0.000 0.716 193 K HN 0.790 nan 8.250 nan 0.000 0.444 194 D N 0.021 120.338 120.400 -0.139 0.000 2.097 194 D HA -0.141 4.499 4.640 0.001 0.000 0.195 194 D C 1.844 178.198 176.300 0.089 0.000 0.989 194 D CA 1.249 55.225 54.000 -0.040 0.000 0.827 194 D CB -0.004 40.778 40.800 -0.031 0.000 0.966 194 D HN 0.049 nan 8.370 nan 0.000 0.456 195 V N 0.909 120.908 119.914 0.141 0.000 2.287 195 V HA -0.269 3.851 4.120 0.001 0.000 0.248 195 V C 2.624 178.905 176.094 0.312 0.000 1.053 195 V CA 1.975 64.430 62.300 0.259 0.000 1.027 195 V CB -1.081 30.935 31.823 0.322 0.000 0.646 195 V HN 0.352 nan 8.190 nan 0.000 0.447 196 A N -0.239 122.765 122.820 0.307 0.000 1.873 196 A HA -0.294 4.027 4.320 0.001 0.000 0.218 196 A C 2.288 180.137 177.584 0.441 0.000 1.193 196 A CA 2.331 54.650 52.037 0.470 0.000 0.629 196 A CB -0.513 18.841 19.000 0.590 0.000 0.826 196 A HN 0.571 nan 8.150 nan 0.000 0.447 197 K N -1.636 118.938 120.400 0.291 0.000 2.097 197 K HA -0.176 4.145 4.320 0.001 0.000 0.205 197 K C 2.046 178.729 176.600 0.139 0.000 1.050 197 K CA 1.540 57.955 56.287 0.213 0.000 0.938 197 K CB -0.346 32.223 32.500 0.115 0.000 0.718 197 K HN 0.792 nan 8.250 nan 0.000 0.442 198 H N 0.944 120.064 119.070 0.084 0.000 2.422 198 H HA -0.042 4.514 4.556 0.001 0.000 0.298 198 H C 1.352 176.697 175.328 0.027 0.000 1.098 198 H CA 1.303 57.392 56.048 0.067 0.000 1.315 198 H CB 0.001 29.829 29.762 0.111 0.000 1.382 198 H HN 0.048 nan 8.280 nan 0.000 0.523 199 L N -0.419 120.797 121.223 -0.012 0.000 2.627 199 L HA 0.219 4.559 4.340 0.001 0.000 0.232 199 L C 1.499 178.039 176.870 -0.550 0.000 1.150 199 L CA 0.443 55.145 54.840 -0.230 0.000 0.917 199 L CB 0.165 42.193 42.059 -0.053 0.000 1.104 199 L HN 0.679 nan 8.230 nan 0.000 0.445 200 G N -0.311 108.275 108.800 -0.355 0.000 2.141 200 G HA2 -0.287 3.674 3.960 0.001 0.000 0.242 200 G HA3 -0.287 3.674 3.960 0.001 0.000 0.242 200 G C 0.082 174.789 174.900 -0.322 0.000 0.982 200 G CA -0.426 44.467 45.100 -0.346 0.000 0.662 200 G HN 0.235 nan 8.290 nan 0.000 0.527 201 F N 0.099 120.100 119.950 0.085 0.000 2.379 201 F HA 0.573 5.100 4.527 0.001 0.000 0.332 201 F C 1.424 177.330 175.800 0.176 0.000 1.096 201 F CA -0.727 57.330 58.000 0.094 0.000 1.105 201 F CB 1.266 40.323 39.000 0.094 0.000 1.189 201 F HN -0.113 nan 8.300 nan 0.000 0.515 202 Q N 0.670 120.625 119.800 0.258 0.000 2.317 202 Q HA 0.143 4.483 4.340 0.001 0.000 0.220 202 Q C -0.072 175.883 176.000 -0.075 0.000 0.873 202 Q CA 0.173 56.085 55.803 0.182 0.000 0.936 202 Q CB 0.895 29.685 28.738 0.087 0.000 1.105 202 Q HN 0.716 nan 8.270 nan 0.000 0.520 203 S N -2.188 113.232 115.700 -0.467 0.000 2.638 203 S HA 0.695 5.166 4.470 0.001 0.000 0.274 203 S C 0.617 174.467 174.600 -1.250 0.000 1.157 203 S CA -0.240 57.257 58.200 -1.172 0.000 0.826 203 S CB 1.419 64.254 63.200 -0.609 0.000 1.139 203 S HN -0.011 nan 8.310 nan 0.000 0.474 204 A N 0.681 122.738 122.820 -1.272 0.000 1.933 204 A HA -0.074 4.247 4.320 0.001 0.000 0.218 204 A C 1.968 179.386 177.584 -0.277 0.000 1.175 204 A CA 1.913 53.692 52.037 -0.429 0.000 0.628 204 A CB -1.166 17.777 19.000 -0.094 0.000 0.814 204 A HN 0.985 nan 8.150 nan 0.000 0.444 205 E N -0.086 119.934 120.200 -0.301 0.000 2.077 205 E HA -0.226 4.124 4.350 0.001 0.000 0.193 205 E C 1.884 178.351 176.600 -0.222 0.000 0.989 205 E CA 1.357 57.630 56.400 -0.212 0.000 0.800 205 E CB -0.161 29.424 29.700 -0.192 0.000 0.746 205 E HN 0.749 nan 8.360 nan 0.000 0.452 206 E N 0.219 120.279 120.200 -0.233 0.000 2.077 206 E HA -0.197 4.153 4.350 0.001 0.000 0.193 206 E C 2.095 178.408 176.600 -0.478 0.000 0.989 206 E CA 0.892 57.181 56.400 -0.185 0.000 0.800 206 E CB -0.165 29.538 29.700 0.004 0.000 0.746 206 E HN 0.363 nan 8.360 nan 0.000 0.452 207 A N 1.307 123.798 122.820 -0.548 0.000 1.883 207 A HA -0.194 4.127 4.320 0.001 0.000 0.217 207 A C 2.215 179.407 177.584 -0.653 0.000 1.186 207 A CA 1.269 52.770 52.037 -0.894 0.000 0.624 207 A CB -0.700 18.162 19.000 -0.230 0.000 0.822 207 A HN 0.128 nan 8.150 nan 0.000 0.444 208 L N -1.322 119.697 121.223 -0.339 0.000 2.056 208 L HA -0.144 4.197 4.340 0.001 0.000 0.207 208 L C 2.858 179.618 176.870 -0.183 0.000 1.078 208 L CA 1.005 55.725 54.840 -0.200 0.000 0.749 208 L CB -0.518 41.480 42.059 -0.102 0.000 0.901 208 L HN 0.257 nan 8.230 nan 0.000 0.433 209 R N 0.323 120.699 120.500 -0.207 0.000 2.096 209 R HA -0.074 4.266 4.340 0.001 0.000 0.235 209 R C 2.193 178.407 176.300 -0.143 0.000 1.127 209 R CA 1.442 57.456 56.100 -0.142 0.000 0.968 209 R CB -1.078 29.150 30.300 -0.121 0.000 0.861 209 R HN 0.419 nan 8.270 nan 0.000 0.440 210 G N -0.208 108.414 108.800 -0.296 0.000 2.572 210 G HA2 -0.040 3.921 3.960 0.001 0.000 0.216 210 G HA3 -0.040 3.921 3.960 0.001 0.000 0.216 210 G C 1.336 176.127 174.900 -0.183 0.000 1.133 210 G CA 0.010 44.983 45.100 -0.211 0.000 0.791 210 G HN 0.199 nan 8.290 nan 0.000 0.538 211 L N -1.806 119.238 121.223 -0.299 0.000 2.781 211 L HA 0.306 4.646 4.340 0.001 0.000 0.245 211 L C 2.027 178.744 176.870 -0.254 0.000 1.118 211 L CA -0.298 54.359 54.840 -0.306 0.000 0.918 211 L CB 0.110 41.860 42.059 -0.514 0.000 1.246 211 L HN 0.126 nan 8.230 nan 0.000 0.526 212 Y N 1.654 121.815 120.300 -0.230 0.000 2.241 212 Y HA -0.221 4.329 4.550 0.001 0.000 0.286 212 Y C 2.223 178.051 175.900 -0.120 0.000 1.166 212 Y CA 1.738 59.738 58.100 -0.167 0.000 1.203 212 Y CB -0.229 38.153 38.460 -0.129 0.000 0.977 212 Y HN 0.137 nan 8.280 nan 0.000 0.529 213 G N -0.464 108.294 108.800 -0.070 0.000 2.535 213 G HA2 -0.186 3.775 3.960 0.001 0.000 0.218 213 G HA3 -0.186 3.775 3.960 0.001 0.000 0.218 213 G C 1.659 176.478 174.900 -0.134 0.000 1.122 213 G CA 0.368 45.425 45.100 -0.072 0.000 0.769 213 G HN 0.358 nan 8.290 nan 0.000 0.549 214 R N -0.165 120.224 120.500 -0.183 0.000 2.280 214 R HA 0.151 4.491 4.340 0.001 0.000 0.195 214 R C 1.052 177.265 176.300 -0.146 0.000 0.935 214 R CA 0.130 56.163 56.100 -0.113 0.000 1.033 214 R CB 0.167 30.436 30.300 -0.052 0.000 0.964 214 R HN 0.400 nan 8.270 nan 0.000 0.489 215 V N 0.194 119.916 119.914 -0.319 0.000 3.036 215 V HA 0.276 4.397 4.120 0.001 0.000 0.308 215 V C 0.549 176.481 176.094 -0.271 0.000 1.070 215 V CA -1.152 60.969 62.300 -0.298 0.000 1.056 215 V CB 1.142 32.695 31.823 -0.451 0.000 1.084 215 V HN 0.164 nan 8.190 nan 0.000 0.471 216 R N 2.204 122.581 120.500 -0.206 0.000 2.641 216 R HA 0.243 4.584 4.340 0.001 0.000 0.269 216 R C 0.137 176.351 176.300 -0.143 0.000 1.074 216 R CA -0.541 55.454 56.100 -0.175 0.000 1.133 216 R CB 0.532 30.731 30.300 -0.168 0.000 1.029 216 R HN 0.947 nan 8.270 nan 0.000 0.488 217 K N 1.179 121.521 120.400 -0.097 0.000 2.484 217 K HA -0.015 4.305 4.320 0.001 0.000 0.280 217 K C 0.509 177.093 176.600 -0.025 0.000 1.013 217 K CA 1.414 57.673 56.287 -0.047 0.000 1.029 217 K CB -0.038 32.444 32.500 -0.030 0.000 0.902 217 K HN 0.891 nan 8.250 nan 0.000 0.481 218 G N 1.914 110.728 108.800 0.022 0.000 2.217 218 G HA2 -0.289 3.672 3.960 0.001 0.000 0.246 218 G HA3 -0.289 3.672 3.960 0.001 0.000 0.246 218 G C 0.168 175.094 174.900 0.042 0.000 0.990 218 G CA 0.087 45.207 45.100 0.034 0.000 0.627 218 G HN 0.958 nan 8.290 nan 0.000 0.522 219 A N -0.325 122.501 122.820 0.011 0.000 2.366 219 A HA 0.689 5.010 4.320 0.001 0.000 0.249 219 A C 0.396 178.043 177.584 0.104 0.000 1.084 219 A CA 0.519 52.555 52.037 -0.002 0.000 0.794 219 A CB 1.003 19.952 19.000 -0.086 0.000 1.034 219 A HN 1.160 nan 8.150 nan 0.000 0.491 220 V N 2.138 122.092 119.914 0.067 0.000 2.417 220 V HA 0.376 4.497 4.120 0.001 0.000 0.291 220 V C -0.449 175.672 176.094 0.045 0.000 1.024 220 V CA -0.444 61.917 62.300 0.102 0.000 0.861 220 V CB 1.122 32.975 31.823 0.050 0.000 0.985 220 V HN 0.762 nan 8.190 nan 0.000 0.436 221 L N 6.889 128.180 121.223 0.114 0.000 2.295 221 L HA 0.753 5.093 4.340 0.001 0.000 0.285 221 L C -0.512 176.386 176.870 0.047 0.000 1.035 221 L CA 0.132 55.000 54.840 0.047 0.000 0.806 221 L CB 1.728 43.834 42.059 0.078 0.000 1.214 221 L HN 0.441 nan 8.230 nan 0.000 0.426 222 V N 4.224 124.157 119.914 0.032 0.000 2.588 222 V HA 0.489 4.609 4.120 0.001 0.000 0.304 222 V C -0.846 175.390 176.094 0.238 0.000 1.042 222 V CA -0.624 61.757 62.300 0.135 0.000 0.877 222 V CB 1.659 33.540 31.823 0.097 0.000 0.996 222 V HN 0.913 nan 8.190 nan 0.000 0.425 223 C N 5.110 124.554 119.300 0.239 0.000 2.442 223 C HA 0.834 5.295 4.460 0.001 0.000 0.335 223 C C 0.446 175.560 174.990 0.207 0.000 1.134 223 C CA -0.350 58.816 59.018 0.247 0.000 1.344 223 C CB -0.078 27.800 27.740 0.230 0.000 1.956 223 C HN 1.121 nan 8.230 nan 0.000 0.438 224 A N 5.147 128.010 122.820 0.072 0.000 2.327 224 A HA 0.642 4.963 4.320 0.001 0.000 0.283 224 A C -0.222 177.394 177.584 0.053 0.000 1.127 224 A CA -0.297 51.631 52.037 -0.181 0.000 0.810 224 A CB 0.429 18.967 19.000 -0.770 0.000 1.066 224 A HN 1.052 nan 8.150 nan 0.000 0.492 225 W N 2.561 123.780 121.300 -0.135 0.000 1.340 225 W HA 0.424 5.084 4.660 0.000 0.000 0.301 225 W C 0.556 177.041 176.519 -0.056 0.000 0.834 225 W CA 0.141 57.452 57.345 -0.056 0.000 2.473 225 W CB 0.271 29.727 29.460 -0.008 0.000 1.837 225 W HN 1.332 nan 8.180 nan 0.000 0.528 226 A N 1.264 124.062 122.820 -0.036 0.000 5.318 226 A HA -0.424 3.897 4.320 0.001 0.000 0.329 226 A C 1.312 178.917 177.584 0.035 0.000 1.789 226 A CA 2.421 54.435 52.037 -0.038 0.000 0.711 226 A CB -1.225 17.725 19.000 -0.082 0.000 1.398 226 A HN 0.413 nan 8.150 nan 0.000 0.392 227 E N 0.755 120.984 120.200 0.048 0.000 2.331 227 E HA -0.039 4.312 4.350 0.001 0.000 0.199 227 E C 1.484 178.138 176.600 0.090 0.000 1.008 227 E CA 1.399 57.833 56.400 0.058 0.000 0.843 227 E CB -0.173 29.557 29.700 0.049 0.000 0.761 227 E HN 0.693 nan 8.360 nan 0.000 0.507 228 E N -0.139 120.160 120.200 0.166 0.000 2.465 228 E HA 0.201 4.551 4.350 0.001 0.000 0.191 228 E C 0.740 177.457 176.600 0.195 0.000 1.053 228 E CA 0.075 56.584 56.400 0.182 0.000 0.869 228 E CB 0.383 30.215 29.700 0.220 0.000 0.977 228 E HN 0.262 nan 8.360 nan 0.000 0.483 229 G N 1.362 110.230 108.800 0.113 0.000 2.527 229 G HA2 -0.096 3.864 3.960 0.001 0.000 0.227 229 G HA3 -0.096 3.864 3.960 0.001 0.000 0.227 229 G C -0.579 174.337 174.900 0.028 0.000 1.291 229 G CA -0.542 44.573 45.100 0.025 0.000 0.904 229 G HN 0.460 nan 8.290 nan 0.000 0.577 230 A N -0.518 122.286 122.820 -0.027 0.000 2.475 230 A HA 0.788 5.109 4.320 0.001 0.000 0.301 230 A C -1.067 176.585 177.584 0.113 0.000 1.059 230 A CA 0.194 52.254 52.037 0.038 0.000 0.710 230 A CB 1.957 20.969 19.000 0.019 0.000 1.288 230 A HN 0.883 nan 8.150 nan 0.000 0.408 231 D N -0.380 120.122 120.400 0.171 0.000 2.419 231 D HA 0.817 5.457 4.640 0.001 0.000 0.234 231 D C -0.248 176.145 176.300 0.155 0.000 1.014 231 D CA 0.299 54.398 54.000 0.165 0.000 0.919 231 D CB 2.052 42.924 40.800 0.121 0.000 1.366 231 D HN 0.914 nan 8.370 nan 0.000 0.490 232 A N 0.504 123.393 122.820 0.114 0.000 2.587 232 A HA 0.758 5.078 4.320 0.001 0.000 0.293 232 A C -2.065 175.537 177.584 0.031 0.000 1.087 232 A CA -0.559 51.531 52.037 0.089 0.000 0.692 232 A CB 1.414 20.477 19.000 0.105 0.000 1.291 232 A HN 0.402 nan 8.150 nan 0.000 0.407 233 L N 0.907 122.139 121.223 0.015 0.000 2.476 233 L HA 0.780 5.120 4.340 0.001 0.000 0.269 233 L C 0.191 177.017 176.870 -0.073 0.000 0.965 233 L CA 0.339 55.124 54.840 -0.091 0.000 0.845 233 L CB 1.585 43.551 42.059 -0.155 0.000 1.259 233 L HN 1.160 nan 8.230 nan 0.000 0.403 234 G N 3.738 112.450 108.800 -0.145 0.000 2.887 234 G HA2 0.588 4.548 3.960 0.001 0.000 0.277 234 G HA3 0.588 4.548 3.960 0.001 0.000 0.277 234 G C -2.305 172.466 174.900 -0.214 0.000 1.346 234 G CA -1.071 43.997 45.100 -0.054 0.000 1.058 234 G HN 0.471 nan 8.290 nan 0.000 0.535 235 P HA -0.058 nan 4.420 nan 0.000 0.218 235 P C 1.120 178.373 177.300 -0.079 0.000 1.148 235 P CA 1.493 64.602 63.100 0.015 0.000 0.822 235 P CB 0.083 31.823 31.700 0.066 0.000 0.784 236 D N -1.322 119.029 120.400 -0.082 0.000 2.378 236 D HA 0.006 4.647 4.640 0.001 0.000 0.227 236 D C 1.480 177.712 176.300 -0.113 0.000 1.012 236 D CA 0.905 54.860 54.000 -0.075 0.000 0.905 236 D CB -1.173 39.598 40.800 -0.050 0.000 0.895 236 D HN 0.251 nan 8.370 nan 0.000 0.532 237 G N 0.041 108.723 108.800 -0.197 0.000 2.184 237 G HA2 -0.340 3.620 3.960 0.001 0.000 0.264 237 G HA3 -0.340 3.620 3.960 0.001 0.000 0.264 237 G C 0.069 174.868 174.900 -0.168 0.000 0.975 237 G CA 0.284 45.252 45.100 -0.220 0.000 0.642 237 G HN 0.496 nan 8.290 nan 0.000 0.536 238 K N 0.133 120.454 120.400 -0.130 0.000 2.312 238 K HA 0.502 4.823 4.320 0.001 0.000 0.287 238 K C 0.159 176.708 176.600 -0.085 0.000 1.062 238 K CA -0.731 55.503 56.287 -0.088 0.000 0.934 238 K CB 1.615 34.083 32.500 -0.054 0.000 1.027 238 K HN 0.169 nan 8.250 nan 0.000 0.478 239 L N 5.328 126.507 121.223 -0.074 0.000 2.361 239 L HA 0.178 4.519 4.340 0.001 0.000 0.278 239 L C -0.934 175.935 176.870 -0.002 0.000 1.113 239 L CA 0.213 55.022 54.840 -0.052 0.000 0.849 239 L CB 0.198 42.219 42.059 -0.063 0.000 1.155 239 L HN 0.469 nan 8.230 nan 0.000 0.452 240 L N 5.047 126.288 121.223 0.030 0.000 2.331 240 L HA 0.578 4.918 4.340 0.001 0.000 0.275 240 L C -0.888 176.072 176.870 0.151 0.000 1.022 240 L CA -0.901 53.985 54.840 0.078 0.000 0.812 240 L CB 1.683 43.783 42.059 0.067 0.000 1.257 240 L HN 0.658 nan 8.230 nan 0.000 0.435 241 H N 0.594 119.693 119.070 0.047 0.000 2.974 241 H HA 0.511 5.067 4.556 0.001 0.000 0.366 241 H C -1.497 173.886 175.328 0.093 0.000 1.155 241 H CA -0.382 55.702 56.048 0.059 0.000 1.186 241 H CB 2.160 31.932 29.762 0.017 0.000 1.799 241 H HN 0.515 nan 8.280 nan 0.000 0.541 242 S N 3.254 118.637 115.700 -0.527 0.000 2.500 242 S HA 0.347 4.818 4.470 0.001 0.000 0.301 242 S C -0.956 173.195 174.600 -0.748 0.000 1.092 242 S CA -0.922 57.042 58.200 -0.394 0.000 1.030 242 S CB 0.883 64.106 63.200 0.039 0.000 1.031 242 S HN 0.698 nan 8.310 nan 0.000 0.483 243 D N 2.557 122.723 120.400 -0.389 0.000 2.361 243 D HA 0.443 5.083 4.640 0.001 0.000 0.239 243 D C 0.539 176.705 176.300 -0.224 0.000 1.200 243 D CA 0.194 54.064 54.000 -0.217 0.000 0.915 243 D CB 0.875 41.555 40.800 -0.201 0.000 1.170 243 D HN 0.736 nan 8.370 nan 0.000 0.444 244 A N 0.733 123.476 122.820 -0.129 0.000 2.366 244 A HA 0.317 4.637 4.320 0.001 0.000 0.249 244 A C -0.429 177.038 177.584 -0.195 0.000 1.084 244 A CA -0.059 51.955 52.037 -0.039 0.000 0.794 244 A CB -0.003 19.003 19.000 0.010 0.000 1.034 244 A HN 0.451 nan 8.150 nan 0.000 0.491 245 F N 2.146 122.109 119.950 0.022 0.000 2.389 245 F HA 0.290 4.817 4.527 0.001 0.000 0.327 245 F C -1.875 173.933 175.800 0.013 0.000 1.204 245 F CA -1.888 56.124 58.000 0.020 0.000 1.209 245 F CB 0.970 39.980 39.000 0.018 0.000 1.460 245 F HN 0.336 nan 8.300 nan 0.000 0.537 246 P HA 0.156 nan 4.420 nan 0.000 0.271 246 P C -2.441 174.907 177.300 0.079 0.000 1.218 246 P CA -1.018 62.129 63.100 0.077 0.000 0.780 246 P CB 0.376 32.098 31.700 0.037 0.000 0.901 247 P HA 0.236 nan 4.420 nan 0.000 0.274 247 P C -1.951 175.369 177.300 0.034 0.000 1.256 247 P CA -1.488 61.638 63.100 0.044 0.000 0.795 247 P CB -0.585 31.131 31.700 0.026 0.000 1.038 248 P HA -0.032 nan 4.420 nan 0.000 0.218 248 P C 0.511 177.821 177.300 0.016 0.000 1.148 248 P CA 1.433 64.546 63.100 0.023 0.000 0.822 248 P CB 0.327 32.040 31.700 0.021 0.000 0.784 249 R N -0.179 120.329 120.500 0.013 0.000 2.502 249 R HA 0.343 4.684 4.340 0.001 0.000 0.298 249 R C -1.558 174.745 176.300 0.005 0.000 1.018 249 R CA -0.635 55.470 56.100 0.009 0.000 0.899 249 R CB 1.623 31.927 30.300 0.007 0.000 1.181 249 R HN -0.261 nan 8.270 nan 0.000 0.444 250 V N 6.107 126.024 119.914 0.004 0.000 2.427 250 V HA 0.049 4.169 4.120 0.001 0.000 0.268 250 V C 1.276 177.366 176.094 -0.006 0.000 1.046 250 V CA 0.032 62.331 62.300 -0.001 0.000 0.970 250 V CB 1.132 32.954 31.823 -0.001 0.000 1.001 250 V HN 0.727 nan 8.190 nan 0.000 0.476 251 V N 0.735 120.641 119.914 -0.013 0.000 3.455 251 V HA 0.441 4.561 4.120 0.001 0.000 0.250 251 V C 0.308 176.387 176.094 -0.025 0.000 1.230 251 V CA 0.710 63.001 62.300 -0.016 0.000 1.105 251 V CB 0.740 32.554 31.823 -0.016 0.000 0.850 251 V HN 0.782 nan 8.190 nan 0.000 0.461 252 D N 0.588 120.964 120.400 -0.040 0.000 2.452 252 D HA 0.266 4.907 4.640 0.001 0.000 0.226 252 D C 0.402 176.658 176.300 -0.072 0.000 1.366 252 D CA 0.631 54.595 54.000 -0.060 0.000 0.986 252 D CB 1.371 42.117 40.800 -0.090 0.000 1.420 252 D HN 0.295 nan 8.370 nan 0.000 0.583 253 T N 1.110 115.634 114.554 -0.051 0.000 3.105 253 T HA 0.176 4.527 4.350 0.001 0.000 0.253 253 T C 0.858 175.534 174.700 -0.041 0.000 1.047 253 T CA -0.401 61.673 62.100 -0.044 0.000 0.944 253 T CB -0.194 68.656 68.868 -0.029 0.000 1.016 253 T HN 0.230 nan 8.240 nan 0.000 0.544 254 L N 2.604 123.792 121.223 -0.057 0.000 2.597 254 L HA 0.520 4.860 4.340 0.001 0.000 0.271 254 L C 1.181 178.034 176.870 -0.028 0.000 1.157 254 L CA 1.470 56.290 54.840 -0.034 0.000 0.928 254 L CB -0.584 41.454 42.059 -0.035 0.000 1.216 254 L HN 0.543 nan 8.230 nan 0.000 0.481 255 G N 2.927 111.767 108.800 0.067 0.000 2.141 255 G HA2 -0.258 3.702 3.960 0.001 0.000 0.231 255 G HA3 -0.258 3.702 3.960 0.001 0.000 0.231 255 G C 0.886 175.904 174.900 0.196 0.000 0.984 255 G CA 0.316 45.542 45.100 0.209 0.000 0.660 255 G HN 1.213 nan 8.290 nan 0.000 0.525 256 A N 0.228 123.100 122.820 0.087 0.000 1.902 256 A HA 0.319 4.640 4.320 0.001 0.000 0.217 256 A C 2.743 180.384 177.584 0.094 0.000 1.181 256 A CA 2.367 54.450 52.037 0.077 0.000 0.623 256 A CB -0.899 18.117 19.000 0.026 0.000 0.818 256 A HN 1.592 nan 8.150 nan 0.000 0.443 257 G N -0.212 108.625 108.800 0.062 0.000 2.402 257 G HA2 -0.208 3.752 3.960 0.001 0.000 0.216 257 G HA3 -0.208 3.752 3.960 0.001 0.000 0.216 257 G C 1.116 176.062 174.900 0.077 0.000 1.162 257 G CA 1.135 46.274 45.100 0.065 0.000 0.777 257 G HN 0.474 nan 8.290 nan 0.000 0.539 258 D N 0.420 120.843 120.400 0.039 0.000 2.144 258 D HA -0.076 4.564 4.640 0.001 0.000 0.199 258 D C 2.658 178.916 176.300 -0.070 0.000 0.984 258 D CA 1.412 55.390 54.000 -0.037 0.000 0.834 258 D CB -0.503 40.278 40.800 -0.032 0.000 0.955 258 D HN 0.222 nan 8.370 nan 0.000 0.465 259 T N 0.818 115.388 114.554 0.028 0.000 2.708 259 T HA -0.144 4.206 4.350 0.001 0.000 0.266 259 T C 1.716 176.393 174.700 -0.038 0.000 1.037 259 T CA 0.660 62.758 62.100 -0.003 0.000 1.146 259 T CB -0.514 68.413 68.868 0.099 0.000 0.865 259 T HN 0.129 nan 8.240 nan 0.000 0.435 260 F N 3.213 123.105 119.950 -0.096 0.000 2.065 260 F HA -0.231 4.296 4.527 0.001 0.000 0.298 260 F C 2.068 177.784 175.800 -0.141 0.000 1.112 260 F CA 1.471 59.420 58.000 -0.085 0.000 1.212 260 F CB -0.517 38.465 39.000 -0.030 0.000 0.975 260 F HN 0.039 nan 8.300 nan 0.000 0.476 261 N N 0.997 119.555 118.700 -0.237 0.000 2.036 261 N HA -0.223 4.518 4.740 0.001 0.000 0.195 261 N C 2.025 177.213 175.510 -0.537 0.000 1.037 261 N CA 1.855 54.486 53.050 -0.699 0.000 0.855 261 N CB -1.172 36.820 38.487 -0.824 0.000 1.033 261 N HN 0.466 nan 8.380 nan 0.000 0.423 262 A N 0.383 122.974 122.820 -0.381 0.000 1.940 262 A HA -0.093 4.228 4.320 0.001 0.000 0.219 262 A C 2.489 179.958 177.584 -0.191 0.000 1.176 262 A CA 1.849 53.709 52.037 -0.295 0.000 0.631 262 A CB -0.680 18.166 19.000 -0.255 0.000 0.814 262 A HN 0.293 nan 8.150 nan 0.000 0.446 263 S N -0.689 114.894 115.700 -0.195 0.000 2.387 263 S HA -0.079 4.392 4.470 0.001 0.000 0.226 263 S C 1.879 176.522 174.600 0.072 0.000 1.026 263 S CA 1.224 59.394 58.200 -0.050 0.000 0.972 263 S CB -0.309 62.722 63.200 -0.283 0.000 0.814 263 S HN 0.342 nan 8.310 nan 0.000 0.477 264 V N 2.136 121.949 119.914 -0.168 0.000 2.307 264 V HA -0.148 3.972 4.120 0.001 0.000 0.245 264 V C 2.063 178.136 176.094 -0.035 0.000 1.045 264 V CA 1.475 63.726 62.300 -0.082 0.000 1.024 264 V CB -0.622 31.129 31.823 -0.120 0.000 0.651 264 V HN 0.428 nan 8.190 nan 0.000 0.449 265 I N -0.699 119.801 120.570 -0.116 0.000 2.151 265 I HA -0.321 3.850 4.170 0.001 0.000 0.243 265 I C 2.320 178.132 176.117 -0.507 0.000 1.080 265 I CA 2.182 63.194 61.300 -0.480 0.000 1.339 265 I CB -0.440 37.202 38.000 -0.596 0.000 1.039 265 I HN 0.339 nan 8.210 nan 0.000 0.409 266 F N 0.893 120.640 119.950 -0.338 0.000 2.075 266 F HA -0.281 4.246 4.527 0.001 0.000 0.297 266 F C 2.866 178.555 175.800 -0.185 0.000 1.113 266 F CA 1.971 59.836 58.000 -0.225 0.000 1.218 266 F CB -0.521 38.434 39.000 -0.075 0.000 0.984 266 F HN -0.016 nan 8.300 nan 0.000 0.472 267 S N 0.374 116.037 115.700 -0.062 0.000 2.359 267 S HA -0.192 4.278 4.470 0.001 0.000 0.224 267 S C 2.169 176.646 174.600 -0.205 0.000 1.035 267 S CA 1.755 59.832 58.200 -0.204 0.000 1.018 267 S CB -0.629 62.551 63.200 -0.033 0.000 0.876 267 S HN 0.450 nan 8.310 nan 0.000 0.448 268 L N 1.546 122.696 121.223 -0.122 0.000 2.093 268 L HA -0.060 4.280 4.340 0.001 0.000 0.208 268 L C 2.822 179.701 176.870 0.016 0.000 1.085 268 L CA 1.473 56.311 54.840 -0.004 0.000 0.755 268 L CB -0.702 41.453 42.059 0.160 0.000 0.904 268 L HN 0.514 nan 8.230 nan 0.000 0.435 269 S N -1.297 114.307 115.700 -0.159 0.000 2.453 269 S HA -0.140 4.330 4.470 0.001 0.000 0.231 269 S C 1.737 176.251 174.600 -0.144 0.000 1.005 269 S CA 0.501 58.675 58.200 -0.044 0.000 0.949 269 S CB -0.152 62.935 63.200 -0.188 0.000 0.774 269 S HN 0.414 nan 8.310 nan 0.000 0.510 270 Q N 0.628 120.238 119.800 -0.316 0.000 2.403 270 Q HA 0.219 4.559 4.340 0.001 0.000 0.203 270 Q C 1.339 177.237 176.000 -0.170 0.000 0.932 270 Q CA 0.649 56.259 55.803 -0.322 0.000 0.945 270 Q CB 0.185 28.604 28.738 -0.531 0.000 1.045 270 Q HN 0.841 nan 8.270 nan 0.000 0.511 271 G N 1.550 110.292 108.800 -0.097 0.000 2.141 271 G HA2 -0.209 3.751 3.960 0.001 0.000 0.242 271 G HA3 -0.209 3.751 3.960 0.001 0.000 0.242 271 G C 0.100 174.972 174.900 -0.047 0.000 0.982 271 G CA -0.250 44.825 45.100 -0.043 0.000 0.662 271 G HN 0.090 nan 8.290 nan 0.000 0.527 272 R N 0.948 121.403 120.500 -0.075 0.000 2.637 272 R HA 0.568 4.909 4.340 0.001 0.000 0.269 272 R C 1.215 177.506 176.300 -0.014 0.000 1.089 272 R CA 0.245 56.309 56.100 -0.060 0.000 1.177 272 R CB 0.419 30.659 30.300 -0.101 0.000 1.091 272 R HN 0.761 nan 8.270 nan 0.000 0.540 273 S N -0.705 114.993 115.700 -0.003 0.000 2.584 273 S HA 0.034 4.505 4.470 0.001 0.000 0.270 273 S C 1.543 176.164 174.600 0.036 0.000 1.346 273 S CA -0.763 57.448 58.200 0.019 0.000 1.018 273 S CB 0.763 63.974 63.200 0.019 0.000 0.899 273 S HN 0.285 nan 8.310 nan 0.000 0.542 274 V N 1.706 121.648 119.914 0.046 0.000 2.282 274 V HA -0.207 3.913 4.120 0.001 0.000 0.249 274 V C 2.966 179.104 176.094 0.074 0.000 1.057 274 V CA 2.478 64.815 62.300 0.062 0.000 1.032 274 V CB -1.322 30.536 31.823 0.058 0.000 0.645 274 V HN 0.999 nan 8.190 nan 0.000 0.447 275 Q N 0.162 120.001 119.800 0.065 0.000 2.096 275 Q HA -0.236 4.105 4.340 0.001 0.000 0.204 275 Q C 2.227 178.280 176.000 0.089 0.000 0.982 275 Q CA 2.091 57.941 55.803 0.078 0.000 0.850 275 Q CB -0.382 28.395 28.738 0.065 0.000 0.901 275 Q HN 0.633 nan 8.270 nan 0.000 0.422 276 E N -0.732 119.509 120.200 0.069 0.000 2.047 276 E HA -0.169 4.182 4.350 0.001 0.000 0.191 276 E C 1.818 178.480 176.600 0.102 0.000 0.987 276 E CA 1.084 57.525 56.400 0.068 0.000 0.799 276 E CB -0.221 29.491 29.700 0.020 0.000 0.752 276 E HN 0.473 nan 8.360 nan 0.000 0.449 277 A N 1.310 124.181 122.820 0.085 0.000 1.908 277 A HA -0.176 4.145 4.320 0.001 0.000 0.218 277 A C 2.328 179.986 177.584 0.124 0.000 1.181 277 A CA 1.104 53.205 52.037 0.107 0.000 0.627 277 A CB -0.736 18.305 19.000 0.068 0.000 0.818 277 A HN 0.209 nan 8.150 nan 0.000 0.445 278 L N -1.169 120.138 121.223 0.140 0.000 2.012 278 L HA -0.221 4.119 4.340 0.001 0.000 0.210 278 L C 2.865 179.878 176.870 0.237 0.000 1.073 278 L CA 1.989 56.956 54.840 0.211 0.000 0.748 278 L CB -0.488 41.694 42.059 0.206 0.000 0.891 278 L HN 0.515 nan 8.230 nan 0.000 0.431 279 R N -0.327 120.295 120.500 0.203 0.000 2.080 279 R HA -0.250 4.090 4.340 0.001 0.000 0.236 279 R C 2.434 178.816 176.300 0.137 0.000 1.137 279 R CA 1.958 58.188 56.100 0.218 0.000 0.943 279 R CB -0.490 29.925 30.300 0.192 0.000 0.846 279 R HN 0.172 nan 8.270 nan 0.000 0.431 280 F N 0.992 120.931 119.950 -0.018 0.000 2.095 280 F HA -0.071 4.457 4.527 0.001 0.000 0.298 280 F C 2.082 177.854 175.800 -0.046 0.000 1.104 280 F CA 1.964 59.928 58.000 -0.060 0.000 1.232 280 F CB -0.933 38.050 39.000 -0.029 0.000 0.987 280 F HN 0.162 nan 8.300 nan 0.000 0.475 281 G N -0.701 108.077 108.800 -0.036 0.000 2.446 281 G HA2 -0.309 3.651 3.960 0.001 0.000 0.217 281 G HA3 -0.309 3.651 3.960 0.001 0.000 0.217 281 G C 1.805 176.779 174.900 0.122 0.000 1.168 281 G CA 1.182 46.166 45.100 -0.193 0.000 0.771 281 G HN 0.516 nan 8.290 nan 0.000 0.551 282 C N -0.016 119.458 119.300 0.290 0.000 2.435 282 C HA 0.012 4.472 4.460 0.001 0.000 0.279 282 C C 2.980 178.073 174.990 0.173 0.000 1.321 282 C CA 0.956 60.178 59.018 0.340 0.000 1.752 282 C CB -0.828 27.176 27.740 0.440 0.000 1.959 282 C HN 0.537 nan 8.230 nan 0.000 0.500 283 Q N -0.091 119.640 119.800 -0.115 0.000 2.049 283 Q HA -0.113 4.227 4.340 0.001 0.000 0.198 283 Q C 2.337 178.190 176.000 -0.245 0.000 0.971 283 Q CA 1.395 56.992 55.803 -0.342 0.000 0.833 283 Q CB -0.133 28.248 28.738 -0.594 0.000 0.896 283 Q HN 0.562 nan 8.270 nan 0.000 0.434 284 V N 0.912 120.604 119.914 -0.369 0.000 2.358 284 V HA -0.243 3.877 4.120 0.001 0.000 0.246 284 V C 2.264 178.277 176.094 -0.135 0.000 1.047 284 V CA 1.725 63.824 62.300 -0.335 0.000 1.035 284 V CB -1.045 30.438 31.823 -0.566 0.000 0.658 284 V HN 0.377 nan 8.190 nan 0.000 0.452 285 A N 0.868 123.657 122.820 -0.052 0.000 1.883 285 A HA -0.144 4.177 4.320 0.001 0.000 0.217 285 A C 2.438 180.044 177.584 0.036 0.000 1.186 285 A CA 2.172 54.235 52.037 0.043 0.000 0.624 285 A CB -1.362 17.727 19.000 0.148 0.000 0.822 285 A HN 0.530 nan 8.150 nan 0.000 0.444 286 G N -0.632 108.201 108.800 0.056 0.000 2.418 286 G HA2 -0.272 3.689 3.960 0.001 0.000 0.217 286 G HA3 -0.272 3.689 3.960 0.001 0.000 0.217 286 G C 1.646 176.565 174.900 0.032 0.000 1.158 286 G CA 1.247 46.390 45.100 0.071 0.000 0.771 286 G HN 0.595 nan 8.290 nan 0.000 0.545 287 K N 0.742 121.141 120.400 -0.002 0.000 2.057 287 K HA -0.150 4.170 4.320 0.001 0.000 0.207 287 K C 2.465 179.055 176.600 -0.016 0.000 1.049 287 K CA 1.695 57.973 56.287 -0.015 0.000 0.931 287 K CB -0.109 32.363 32.500 -0.046 0.000 0.714 287 K HN 0.272 nan 8.250 nan 0.000 0.440 288 K N 0.730 121.120 120.400 -0.018 0.000 2.097 288 K HA -0.123 4.198 4.320 0.001 0.000 0.206 288 K C 1.709 178.281 176.600 -0.047 0.000 1.049 288 K CA 1.938 58.211 56.287 -0.024 0.000 0.933 288 K CB -0.697 31.811 32.500 0.014 0.000 0.717 288 K HN 0.212 nan 8.250 nan 0.000 0.442 289 C N 0.385 119.671 119.300 -0.023 0.000 2.422 289 C HA 0.073 4.533 4.460 0.001 0.000 0.286 289 C C 2.239 177.214 174.990 -0.026 0.000 1.412 289 C CA 0.875 59.877 59.018 -0.026 0.000 1.786 289 C CB -1.414 26.324 27.740 -0.004 0.000 1.835 289 C HN 0.737 nan 8.230 nan 0.000 0.533 290 G N -0.874 107.915 108.800 -0.019 0.000 3.284 290 G HA2 0.465 4.425 3.960 0.001 0.000 0.236 290 G HA3 0.465 4.425 3.960 0.001 0.000 0.236 290 G C 0.077 174.964 174.900 -0.022 0.000 1.158 290 G CA 0.117 45.210 45.100 -0.013 0.000 0.774 290 G HN 0.446 nan 8.290 nan 0.000 0.545 291 L N -0.724 120.475 121.223 -0.041 0.000 2.434 291 L HA 0.412 4.752 4.340 0.001 0.000 0.260 291 L C -0.764 176.057 176.870 -0.082 0.000 0.983 291 L CA -1.145 53.666 54.840 -0.049 0.000 0.820 291 L CB 2.511 44.543 42.059 -0.044 0.000 1.361 291 L HN -0.159 nan 8.230 nan 0.000 0.410 292 Q N 1.040 120.798 119.800 -0.070 0.000 2.296 292 Q HA 0.536 4.876 4.340 0.001 0.000 0.262 292 Q C 0.511 176.426 176.000 -0.142 0.000 0.981 292 Q CA 1.508 57.257 55.803 -0.090 0.000 0.905 292 Q CB 1.221 29.933 28.738 -0.044 0.000 1.186 292 Q HN 0.758 nan 8.270 nan 0.000 0.399 293 G N 2.169 110.807 108.800 -0.269 0.000 2.552 293 G HA2 -0.336 3.625 3.960 0.001 0.000 0.265 293 G HA3 -0.336 3.625 3.960 0.001 0.000 0.265 293 G C 0.011 174.554 174.900 -0.595 0.000 1.234 293 G CA 0.289 45.117 45.100 -0.454 0.000 0.944 293 G HN 0.650 nan 8.290 nan 0.000 0.568 294 F N -0.511 119.441 119.950 0.004 0.000 2.711 294 F HA 0.257 4.785 4.527 0.001 0.000 0.296 294 F C 2.269 178.075 175.800 0.009 0.000 1.096 294 F CA 0.608 58.596 58.000 -0.021 0.000 1.280 294 F CB 0.138 39.091 39.000 -0.078 0.000 1.060 294 F HN 0.301 nan 8.300 nan 0.000 0.608 295 D N 0.734 121.260 120.400 0.210 0.000 2.133 295 D HA -0.156 4.484 4.640 0.001 0.000 0.195 295 D C 2.420 178.778 176.300 0.096 0.000 0.997 295 D CA 1.658 55.762 54.000 0.173 0.000 0.840 295 D CB -0.746 40.143 40.800 0.148 0.000 0.947 295 D HN 0.314 nan 8.370 nan 0.000 0.452 296 G N 0.979 109.814 108.800 0.059 0.000 2.776 296 G HA2 -0.082 3.878 3.960 0.001 0.000 0.209 296 G HA3 -0.082 3.878 3.960 0.001 0.000 0.209 296 G C 1.631 176.543 174.900 0.021 0.000 1.145 296 G CA 0.323 45.442 45.100 0.031 0.000 0.791 296 G HN 0.465 nan 8.290 nan 0.000 0.530 297 I N -0.851 119.737 120.570 0.029 0.000 2.454 297 I HA 0.058 4.228 4.170 0.001 0.000 0.254 297 I C 0.940 177.052 176.117 -0.008 0.000 1.156 297 I CA 0.555 61.856 61.300 0.001 0.000 1.433 297 I CB -0.479 37.517 38.000 -0.006 0.000 1.082 297 I HN 0.024 nan 8.210 nan 0.000 0.432 298 V N 0.000 119.918 119.914 0.007 0.000 2.409 298 V HA 0.000 4.120 4.120 0.001 0.000 0.244 298 V CA 0.000 62.303 62.300 0.005 0.000 1.235 298 V CB 0.000 31.822 31.823 -0.001 0.000 1.184 298 V HN 0.000 nan 8.190 nan 0.000 0.556