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 3ifh_1_X DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.869 174.900 -0.051 0.000 0.946 3 G CA 0.000 45.063 45.100 -0.062 0.000 0.502 4 S N 1.084 116.755 115.700 -0.048 0.000 2.790 4 S HA 0.780 5.250 4.470 -0.000 0.000 0.202 4 S C -0.114 174.463 174.600 -0.038 0.000 1.383 4 S CA -0.371 57.806 58.200 -0.038 0.000 1.026 4 S CB -0.110 63.070 63.200 -0.033 0.000 1.253 4 S HN 0.352 nan 8.310 nan 0.000 0.489 5 M N 1.929 121.506 119.600 -0.039 0.000 2.518 5 M HA 0.431 4.911 4.480 -0.000 0.000 0.300 5 M C 0.272 176.556 176.300 -0.026 0.000 1.175 5 M CA -0.897 54.382 55.300 -0.035 0.000 0.890 5 M CB 2.434 35.005 32.600 -0.049 0.000 1.710 5 M HN 0.219 nan 8.290 nan 0.000 0.453 6 K N 0.654 121.044 120.400 -0.017 0.000 1.969 6 K HA -0.120 4.200 4.320 -0.000 0.000 0.216 6 K C 0.271 176.867 176.600 -0.006 0.000 1.048 6 K CA 1.501 57.784 56.287 -0.008 0.000 0.948 6 K CB -0.116 32.383 32.500 -0.001 0.000 0.726 6 K HN 0.495 nan 8.250 nan 0.000 0.442 7 D N 0.346 120.746 120.400 -0.000 0.000 2.443 7 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 7 D C -1.964 174.319 176.300 -0.028 0.000 1.097 7 D CA -2.486 51.517 54.000 0.004 0.000 0.865 7 D CB 1.138 41.964 40.800 0.043 0.000 1.034 7 D HN -0.062 nan 8.370 nan 0.000 0.511 8 P HA -0.089 nan 4.420 nan 0.000 0.225 8 P C 1.038 178.252 177.300 -0.143 0.000 1.156 8 P CA 0.447 63.495 63.100 -0.086 0.000 0.787 8 P CB 0.076 31.733 31.700 -0.072 0.000 0.802 9 S N -0.683 114.926 115.700 -0.153 0.000 2.595 9 S HA -0.036 4.434 4.470 -0.000 0.000 0.235 9 S C 1.872 176.160 174.600 -0.520 0.000 0.974 9 S CA 0.318 58.338 58.200 -0.301 0.000 0.942 9 S CB -1.491 61.573 63.200 -0.225 0.000 0.766 9 S HN 0.079 nan 8.310 nan 0.000 0.536 10 L N -0.117 120.931 121.223 -0.290 0.000 2.093 10 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 10 L C 1.126 177.815 176.870 -0.301 0.000 1.085 10 L CA 0.432 55.129 54.840 -0.239 0.000 0.755 10 L CB -0.408 41.629 42.059 -0.037 0.000 0.904 10 L HN 0.362 nan 8.230 nan 0.000 0.435 11 L N 1.915 122.950 121.223 -0.313 0.000 2.485 11 L HA 0.087 4.427 4.340 -0.000 0.000 0.279 11 L C 0.068 176.633 176.870 -0.508 0.000 1.124 11 L CA 0.307 54.907 54.840 -0.399 0.000 0.888 11 L CB -0.095 41.688 42.059 -0.461 0.000 1.217 11 L HN 0.014 nan 8.230 nan 0.000 0.464 12 R N 4.647 124.924 120.500 -0.372 0.000 2.254 12 R HA 0.267 4.607 4.340 -0.000 0.000 0.318 12 R C 0.195 176.371 176.300 -0.206 0.000 1.031 12 R CA -0.319 55.561 56.100 -0.366 0.000 0.905 12 R CB 0.620 30.739 30.300 -0.303 0.000 1.050 12 R HN 0.616 nan 8.270 nan 0.000 0.456 13 H N 0.330 119.412 119.070 0.019 0.000 2.594 13 H HA 0.152 4.708 4.556 -0.000 0.000 0.279 13 H C 0.550 175.953 175.328 0.125 0.000 1.042 13 H CA 0.218 56.349 56.048 0.139 0.000 1.177 13 H CB 1.092 30.898 29.762 0.072 0.000 1.524 13 H HN 0.642 nan 8.280 nan 0.000 0.537 14 Q N 0.626 120.541 119.800 0.192 0.000 2.399 14 Q HA 0.790 5.130 4.340 -0.000 0.000 0.276 14 Q C -0.715 175.542 176.000 0.429 0.000 1.098 14 Q CA -0.552 55.419 55.803 0.280 0.000 0.827 14 Q CB 1.694 30.608 28.738 0.293 0.000 1.386 14 Q HN 0.366 nan 8.270 nan 0.000 0.443 15 A N 0.306 123.348 122.820 0.370 0.000 2.316 15 A HA 0.624 4.944 4.320 -0.000 0.000 0.284 15 A C -0.913 176.877 177.584 0.345 0.000 1.115 15 A CA -0.371 51.866 52.037 0.333 0.000 0.812 15 A CB 0.467 19.567 19.000 0.166 0.000 1.064 15 A HN 1.107 nan 8.150 nan 0.000 0.489 16 Y N 3.587 123.856 120.300 -0.052 0.000 2.594 16 Y HA 0.374 4.924 4.550 -0.000 0.000 0.342 16 Y C -0.462 175.269 175.900 -0.280 0.000 1.010 16 Y CA -1.455 56.348 58.100 -0.494 0.000 1.270 16 Y CB 0.298 38.256 38.460 -0.837 0.000 1.125 16 Y HN 0.404 nan 8.280 nan 0.000 0.513 17 I N 5.542 125.901 120.570 -0.352 0.000 2.287 17 I HA 0.211 4.381 4.170 -0.000 0.000 0.290 17 I C 1.103 176.948 176.117 -0.454 0.000 1.069 17 I CA -0.380 60.734 61.300 -0.309 0.000 1.237 17 I CB 0.338 38.251 38.000 -0.144 0.000 1.418 17 I HN 0.882 nan 8.210 nan 0.000 0.481 18 G N 5.151 113.642 108.800 -0.516 0.000 2.412 18 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.297 18 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.297 18 G C 1.025 175.622 174.900 -0.505 0.000 0.965 18 G CA 0.927 45.753 45.100 -0.456 0.000 1.134 18 G HN 1.354 nan 8.290 nan 0.000 0.511 19 G N -1.288 106.992 108.800 -0.867 0.000 2.339 19 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.209 19 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.209 19 G C 0.128 174.773 174.900 -0.424 0.000 1.015 19 G CA 0.663 45.412 45.100 -0.585 0.000 0.635 19 G HN 1.023 nan 8.290 nan 0.000 0.499 20 E N -1.134 118.813 120.200 -0.422 0.000 2.312 20 E HA 0.539 4.889 4.350 -0.000 0.000 0.267 20 E C -1.211 175.341 176.600 -0.079 0.000 0.894 20 E CA -1.129 55.187 56.400 -0.140 0.000 0.773 20 E CB 1.389 31.078 29.700 -0.018 0.000 1.241 20 E HN 0.241 nan 8.360 nan 0.000 0.432 21 W N 2.646 124.076 121.300 0.217 0.000 2.365 21 W HA 0.207 4.867 4.660 -0.000 0.000 0.371 21 W C 0.029 176.621 176.519 0.121 0.000 1.006 21 W CA -0.306 57.164 57.345 0.207 0.000 1.528 21 W CB 0.483 30.056 29.460 0.188 0.000 1.497 21 W HN 0.232 nan 8.180 nan 0.000 0.367 22 Q N 1.895 121.873 119.800 0.297 0.000 2.301 22 Q HA 0.744 5.084 4.340 -0.000 0.000 0.267 22 Q C 0.084 176.194 176.000 0.184 0.000 1.035 22 Q CA -0.890 55.025 55.803 0.187 0.000 0.856 22 Q CB 2.089 30.885 28.738 0.096 0.000 1.337 22 Q HN 0.497 nan 8.270 nan 0.000 0.450 23 A N 0.919 123.822 122.820 0.138 0.000 2.240 23 A HA 0.756 5.076 4.320 -0.000 0.000 0.292 23 A C -0.422 177.214 177.584 0.087 0.000 1.121 23 A CA -0.266 51.842 52.037 0.118 0.000 0.851 23 A CB 0.225 19.286 19.000 0.101 0.000 1.167 23 A HN 0.778 nan 8.150 nan 0.000 0.503 24 A N -0.140 122.726 122.820 0.076 0.000 2.511 24 A HA 0.308 4.628 4.320 -0.000 0.000 0.242 24 A C 0.531 178.142 177.584 0.044 0.000 1.069 24 A CA 0.327 52.396 52.037 0.053 0.000 0.763 24 A CB -0.341 18.689 19.000 0.050 0.000 1.001 24 A HN 0.759 nan 8.150 nan 0.000 0.498 25 D N 1.432 121.850 120.400 0.031 0.000 2.116 25 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 25 D C 2.348 178.664 176.300 0.026 0.000 0.998 25 D CA 2.341 56.356 54.000 0.025 0.000 0.836 25 D CB -0.191 40.618 40.800 0.016 0.000 0.951 25 D HN 0.697 nan 8.370 nan 0.000 0.449 26 S N -0.775 114.939 115.700 0.024 0.000 2.402 26 S HA -0.175 4.295 4.470 -0.000 0.000 0.229 26 S C 0.954 175.573 174.600 0.031 0.000 1.021 26 S CA 1.252 59.467 58.200 0.025 0.000 0.974 26 S CB 0.170 63.383 63.200 0.022 0.000 0.800 26 S HN 0.154 nan 8.310 nan 0.000 0.484 27 D N 0.351 120.774 120.400 0.039 0.000 2.439 27 D HA -0.153 4.487 4.640 -0.000 0.000 0.172 27 D C 0.343 176.675 176.300 0.054 0.000 1.026 27 D CA 1.114 55.143 54.000 0.047 0.000 1.043 27 D CB -1.731 39.094 40.800 0.041 0.000 1.098 27 D HN 0.767 nan 8.370 nan 0.000 0.467 28 A N 1.505 124.354 122.820 0.049 0.000 2.540 28 A HA 0.321 4.641 4.320 -0.000 0.000 0.264 28 A C 0.802 178.436 177.584 0.083 0.000 1.080 28 A CA 1.719 53.791 52.037 0.059 0.000 0.776 28 A CB 0.256 19.286 19.000 0.050 0.000 1.011 28 A HN 0.227 nan 8.150 nan 0.000 0.514 29 T N 1.369 115.982 114.554 0.098 0.000 2.884 29 T HA 0.666 5.016 4.350 -0.000 0.000 0.277 29 T C -0.866 173.962 174.700 0.213 0.000 0.976 29 T CA -0.375 61.807 62.100 0.138 0.000 0.956 29 T CB 0.483 69.418 68.868 0.112 0.000 1.113 29 T HN 0.773 nan 8.240 nan 0.000 0.554 30 F N 0.606 120.570 119.950 0.023 0.000 2.831 30 F HA 0.538 5.065 4.527 -0.000 0.000 0.346 30 F C -0.122 175.689 175.800 0.018 0.000 1.224 30 F CA -0.449 57.551 58.000 0.000 0.000 1.048 30 F CB 0.424 39.416 39.000 -0.014 0.000 1.339 30 F HN 0.747 nan 8.300 nan 0.000 0.514 31 E N 3.322 123.338 120.200 -0.306 0.000 2.383 31 E HA 0.613 4.963 4.350 -0.000 0.000 0.264 31 E C -1.337 175.129 176.600 -0.223 0.000 1.050 31 E CA -0.283 56.026 56.400 -0.152 0.000 0.896 31 E CB 1.486 31.125 29.700 -0.101 0.000 0.982 31 E HN 0.472 nan 8.360 nan 0.000 0.424 32 V N 2.761 122.744 119.914 0.116 0.000 2.540 32 V HA 0.635 4.755 4.120 -0.000 0.000 0.302 32 V C -1.076 175.293 176.094 0.460 0.000 1.035 32 V CA -0.765 61.649 62.300 0.190 0.000 0.873 32 V CB 1.166 33.093 31.823 0.174 0.000 0.992 32 V HN 0.753 nan 8.190 nan 0.000 0.428 33 F N 1.919 121.882 119.950 0.021 0.000 2.507 33 F HA 0.487 5.014 4.527 -0.000 0.000 0.327 33 F C 0.434 176.241 175.800 0.012 0.000 1.068 33 F CA -1.497 56.508 58.000 0.007 0.000 0.965 33 F CB 1.433 40.413 39.000 -0.033 0.000 1.192 33 F HN 0.473 nan 8.300 nan 0.000 0.476 34 D N 3.485 123.923 120.400 0.065 0.000 2.345 34 D HA 0.183 4.823 4.640 -0.000 0.000 0.247 34 D C -1.842 174.433 176.300 -0.042 0.000 1.108 34 D CA -1.602 52.392 54.000 -0.009 0.000 0.894 34 D CB 1.861 42.609 40.800 -0.087 0.000 1.203 34 D HN 0.175 nan 8.370 nan 0.000 0.430 35 P HA 0.158 nan 4.420 nan 0.000 0.255 35 P C 0.288 177.434 177.300 -0.257 0.000 1.248 35 P CA 0.110 63.134 63.100 -0.127 0.000 0.807 35 P CB 0.579 32.203 31.700 -0.126 0.000 1.150 36 A N 0.120 122.803 122.820 -0.228 0.000 2.115 36 A HA 0.150 4.470 4.320 -0.000 0.000 0.211 36 A C 1.573 179.111 177.584 -0.076 0.000 1.169 36 A CA 1.399 53.351 52.037 -0.141 0.000 0.787 36 A CB -0.558 18.477 19.000 0.058 0.000 0.858 36 A HN 0.261 nan 8.150 nan 0.000 0.474 37 T N -5.900 108.443 114.554 -0.351 0.000 3.186 37 T HA 0.429 4.779 4.350 -0.000 0.000 0.292 37 T C 1.309 175.668 174.700 -0.567 0.000 0.915 37 T CA 0.868 62.713 62.100 -0.424 0.000 0.902 37 T CB 0.291 69.082 68.868 -0.127 0.000 1.192 37 T HN 1.555 nan 8.240 nan 0.000 0.563 38 G N 2.863 111.308 108.800 -0.592 0.000 2.220 38 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.269 38 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.269 38 G C -0.023 174.619 174.900 -0.430 0.000 0.977 38 G CA 0.511 45.462 45.100 -0.249 0.000 0.634 38 G HN 1.000 nan 8.290 nan 0.000 0.539 39 E N 0.738 120.705 120.200 -0.388 0.000 2.373 39 E HA 0.491 4.841 4.350 -0.000 0.000 0.267 39 E C 0.285 176.533 176.600 -0.586 0.000 1.032 39 E CA 0.069 56.205 56.400 -0.440 0.000 0.889 39 E CB 1.074 30.632 29.700 -0.235 0.000 0.984 39 E HN 0.168 nan 8.360 nan 0.000 0.425 40 S N 1.105 116.405 115.700 -0.667 0.000 2.549 40 S HA 0.156 4.626 4.470 -0.000 0.000 0.286 40 S C 0.660 175.187 174.600 -0.122 0.000 1.314 40 S CA 0.155 58.097 58.200 -0.430 0.000 1.062 40 S CB 0.415 63.500 63.200 -0.191 0.000 0.865 40 S HN 0.583 nan 8.310 nan 0.000 0.498 41 L N 3.254 124.504 121.223 0.045 0.000 2.638 41 L HA 0.708 5.048 4.340 -0.000 0.000 0.232 41 L C 1.224 178.178 176.870 0.139 0.000 1.099 41 L CA 0.843 55.721 54.840 0.063 0.000 0.883 41 L CB -1.433 40.687 42.059 0.101 0.000 1.136 41 L HN 1.164 nan 8.230 nan 0.000 0.492 42 G N -2.750 106.196 108.800 0.243 0.000 2.340 42 G HA2 0.534 4.494 3.960 -0.000 0.000 0.282 42 G HA3 0.534 4.494 3.960 -0.000 0.000 0.282 42 G C -0.181 174.916 174.900 0.329 0.000 1.312 42 G CA 0.257 45.507 45.100 0.251 0.000 0.942 42 G HN 1.448 nan 8.290 nan 0.000 0.495 43 T N -0.940 113.789 114.554 0.291 0.000 2.859 43 T HA 0.924 5.274 4.350 -0.000 0.000 0.281 43 T C 0.172 175.087 174.700 0.358 0.000 1.005 43 T CA 0.122 62.374 62.100 0.252 0.000 1.025 43 T CB 1.231 70.171 68.868 0.120 0.000 0.977 43 T HN 2.196 nan 8.240 nan 0.000 0.458 44 V N 0.590 120.658 119.914 0.256 0.000 2.789 44 V HA 0.824 4.944 4.120 -0.000 0.000 0.311 44 V C -3.177 173.023 176.094 0.177 0.000 1.073 44 V CA -3.123 59.298 62.300 0.202 0.000 0.921 44 V CB 1.597 33.465 31.823 0.075 0.000 1.009 44 V HN 0.594 nan 8.190 nan 0.000 0.426 45 P HA 0.089 nan 4.420 nan 0.000 0.264 45 P C -0.895 176.450 177.300 0.076 0.000 1.179 45 P CA 0.262 63.427 63.100 0.109 0.000 0.763 45 P CB 0.314 32.073 31.700 0.098 0.000 0.806 46 K N 4.114 124.552 120.400 0.063 0.000 2.347 46 K HA 0.393 4.713 4.320 -0.000 0.000 0.262 46 K C -0.667 175.928 176.600 -0.008 0.000 1.052 46 K CA -0.251 56.037 56.287 0.002 0.000 0.946 46 K CB 0.032 32.553 32.500 0.035 0.000 1.220 46 K HN 0.414 nan 8.250 nan 0.000 0.450 47 M N 2.104 121.686 119.600 -0.030 0.000 2.578 47 M HA 0.461 4.940 4.480 -0.000 0.000 0.321 47 M C 0.436 176.714 176.300 -0.037 0.000 1.182 47 M CA -0.659 54.629 55.300 -0.020 0.000 0.965 47 M CB 2.140 34.734 32.600 -0.010 0.000 1.694 47 M HN 0.727 nan 8.290 nan 0.000 0.461 48 G N -0.153 108.631 108.800 -0.027 0.000 3.264 48 G HA2 0.628 4.588 3.960 -0.000 0.000 0.168 48 G HA3 0.628 4.588 3.960 -0.000 0.000 0.168 48 G C 0.604 175.488 174.900 -0.026 0.000 1.145 48 G CA 0.060 45.142 45.100 -0.030 0.000 0.855 48 G HN 0.761 nan 8.290 nan 0.000 0.629 49 A N -0.153 122.653 122.820 -0.023 0.000 1.884 49 A HA 0.068 4.388 4.320 -0.000 0.000 0.219 49 A C 2.752 180.323 177.584 -0.021 0.000 1.197 49 A CA 3.423 55.446 52.037 -0.022 0.000 0.637 49 A CB -1.235 17.753 19.000 -0.019 0.000 0.827 49 A HN 1.524 nan 8.150 nan 0.000 0.450 50 A N -0.596 122.214 122.820 -0.017 0.000 1.940 50 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 50 A C 1.881 179.453 177.584 -0.019 0.000 1.176 50 A CA 2.125 54.153 52.037 -0.015 0.000 0.631 50 A CB -0.472 18.522 19.000 -0.010 0.000 0.814 50 A HN 0.587 nan 8.150 nan 0.000 0.446 51 E N -0.961 119.227 120.200 -0.020 0.000 2.170 51 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 51 E C 2.026 178.604 176.600 -0.036 0.000 0.981 51 E CA 1.249 57.635 56.400 -0.024 0.000 0.830 51 E CB -0.428 29.263 29.700 -0.015 0.000 0.775 51 E HN 0.556 nan 8.360 nan 0.000 0.470 52 T N 0.814 115.348 114.554 -0.035 0.000 2.708 52 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 52 T C 2.037 176.710 174.700 -0.046 0.000 1.037 52 T CA 1.303 63.378 62.100 -0.041 0.000 1.146 52 T CB -0.408 68.439 68.868 -0.036 0.000 0.865 52 T HN 0.270 nan 8.240 nan 0.000 0.435 53 A N 1.921 124.719 122.820 -0.038 0.000 1.883 53 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 53 A C 2.308 179.867 177.584 -0.042 0.000 1.186 53 A CA 1.525 53.540 52.037 -0.037 0.000 0.624 53 A CB -0.573 18.410 19.000 -0.028 0.000 0.822 53 A HN 0.394 nan 8.150 nan 0.000 0.444 54 R N -0.860 119.614 120.500 -0.043 0.000 2.328 54 R HA 0.077 4.417 4.340 -0.000 0.000 0.207 54 R C 1.923 178.180 176.300 -0.072 0.000 1.056 54 R CA 0.643 56.713 56.100 -0.049 0.000 1.016 54 R CB -0.206 30.069 30.300 -0.042 0.000 0.872 54 R HN 0.562 nan 8.270 nan 0.000 0.471 55 A N 0.319 123.092 122.820 -0.079 0.000 1.973 55 A HA 0.095 4.415 4.320 -0.000 0.000 0.210 55 A C 1.888 179.412 177.584 -0.099 0.000 1.200 55 A CA 0.143 52.115 52.037 -0.108 0.000 0.707 55 A CB 0.070 19.003 19.000 -0.111 0.000 0.862 55 A HN 0.114 nan 8.150 nan 0.000 0.461 56 I N -0.287 120.237 120.570 -0.077 0.000 2.394 56 I HA -0.204 3.966 4.170 -0.000 0.000 0.251 56 I C 2.426 178.506 176.117 -0.061 0.000 1.136 56 I CA 1.516 62.773 61.300 -0.072 0.000 1.425 56 I CB -0.108 37.856 38.000 -0.060 0.000 1.079 56 I HN 0.335 nan 8.210 nan 0.000 0.425 57 E N 0.989 121.159 120.200 -0.051 0.000 2.072 57 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 57 E C 2.219 178.796 176.600 -0.038 0.000 0.982 57 E CA 1.291 57.670 56.400 -0.035 0.000 0.803 57 E CB -0.102 29.581 29.700 -0.030 0.000 0.755 57 E HN 0.420 nan 8.360 nan 0.000 0.453 58 A N 0.479 123.261 122.820 -0.063 0.000 1.969 58 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 58 A C 2.301 179.838 177.584 -0.078 0.000 1.169 58 A CA 1.579 53.569 52.037 -0.078 0.000 0.635 58 A CB -0.654 18.273 19.000 -0.122 0.000 0.810 58 A HN 0.320 nan 8.150 nan 0.000 0.445 59 A N -0.865 121.902 122.820 -0.088 0.000 1.898 59 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 59 A C 2.172 179.746 177.584 -0.016 0.000 1.181 59 A CA 1.673 53.658 52.037 -0.087 0.000 0.620 59 A CB -0.510 18.420 19.000 -0.117 0.000 0.819 59 A HN 0.614 nan 8.150 nan 0.000 0.442 60 Q N -0.816 118.986 119.800 0.003 0.000 2.167 60 Q HA -0.061 4.279 4.340 -0.000 0.000 0.202 60 Q C 2.106 178.190 176.000 0.140 0.000 0.970 60 Q CA 1.132 56.988 55.803 0.087 0.000 0.855 60 Q CB -0.240 28.532 28.738 0.056 0.000 0.911 60 Q HN 0.629 nan 8.270 nan 0.000 0.438 61 A N -0.036 122.826 122.820 0.070 0.000 2.119 61 A HA 0.049 4.369 4.320 -0.000 0.000 0.217 61 A C 1.965 179.595 177.584 0.075 0.000 1.153 61 A CA 1.237 53.310 52.037 0.060 0.000 0.692 61 A CB -0.283 18.728 19.000 0.019 0.000 0.799 61 A HN 0.459 nan 8.150 nan 0.000 0.458 62 A N -1.962 120.910 122.820 0.086 0.000 1.997 62 A HA 0.096 4.416 4.320 -0.000 0.000 0.212 62 A C 1.762 179.486 177.584 0.234 0.000 1.178 62 A CA 0.865 52.962 52.037 0.100 0.000 0.698 62 A CB -0.693 18.312 19.000 0.008 0.000 0.842 62 A HN 0.699 nan 8.150 nan 0.000 0.458 63 W N 1.506 122.838 121.300 0.054 0.000 2.305 63 W HA -0.308 4.352 4.660 -0.000 0.000 0.308 63 W C 2.321 178.921 176.519 0.135 0.000 1.226 63 W CA 1.983 59.397 57.345 0.115 0.000 1.253 63 W CB -0.629 28.876 29.460 0.075 0.000 1.146 63 W HN 0.366 nan 8.180 nan 0.000 0.507 64 A N 0.081 122.931 122.820 0.051 0.000 1.902 64 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 64 A C 2.317 179.869 177.584 -0.053 0.000 1.181 64 A CA 2.164 54.120 52.037 -0.134 0.000 0.623 64 A CB -1.534 17.414 19.000 -0.088 0.000 0.818 64 A HN 0.385 nan 8.150 nan 0.000 0.443 65 G N -1.945 106.887 108.800 0.053 0.000 2.403 65 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 65 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 65 G C 1.518 176.500 174.900 0.136 0.000 1.154 65 G CA 0.766 45.910 45.100 0.074 0.000 0.784 65 G HN 0.673 nan 8.290 nan 0.000 0.538 66 W N 2.656 123.964 121.300 0.013 0.000 2.418 66 W HA -0.078 4.582 4.660 -0.000 0.000 0.292 66 W C 2.644 179.182 176.519 0.032 0.000 1.213 66 W CA 1.201 58.573 57.345 0.044 0.000 1.283 66 W CB 0.099 29.623 29.460 0.107 0.000 1.119 66 W HN 0.309 nan 8.180 nan 0.000 0.542 67 R N 0.162 120.660 120.500 -0.004 0.000 2.148 67 R HA -0.112 4.228 4.340 -0.000 0.000 0.223 67 R C 2.077 178.261 176.300 -0.195 0.000 1.088 67 R CA 1.304 57.312 56.100 -0.153 0.000 0.985 67 R CB -1.060 29.098 30.300 -0.237 0.000 0.880 67 R HN 0.208 nan 8.270 nan 0.000 0.451 68 M N 1.103 120.608 119.600 -0.159 0.000 2.562 68 M HA 0.089 4.569 4.480 -0.000 0.000 0.257 68 M C -0.129 176.090 176.300 -0.134 0.000 1.099 68 M CA 0.684 55.903 55.300 -0.135 0.000 1.099 68 M CB 0.340 32.878 32.600 -0.104 0.000 1.427 68 M HN 0.022 nan 8.290 nan 0.000 0.489 69 K N 1.423 121.716 120.400 -0.177 0.000 2.355 69 K HA 0.067 4.387 4.320 -0.000 0.000 0.270 69 K C 0.465 176.934 176.600 -0.219 0.000 1.003 69 K CA -0.028 56.140 56.287 -0.198 0.000 0.957 69 K CB 0.584 32.919 32.500 -0.275 0.000 0.939 69 K HN 0.229 nan 8.250 nan 0.000 0.482 70 T N -1.045 113.410 114.554 -0.165 0.000 2.813 70 T HA 0.142 4.492 4.350 -0.000 0.000 0.297 70 T C 1.378 175.972 174.700 -0.177 0.000 1.036 70 T CA -0.266 61.748 62.100 -0.144 0.000 1.044 70 T CB 1.283 70.092 68.868 -0.099 0.000 0.993 70 T HN 0.575 nan 8.240 nan 0.000 0.535 71 A N 1.080 123.815 122.820 -0.141 0.000 1.940 71 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 71 A C 2.356 179.876 177.584 -0.106 0.000 1.176 71 A CA 1.785 53.745 52.037 -0.128 0.000 0.631 71 A CB -0.876 18.072 19.000 -0.088 0.000 0.814 71 A HN 0.939 nan 8.150 nan 0.000 0.446 72 K N -0.209 120.138 120.400 -0.088 0.000 2.057 72 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 72 K C 1.884 178.446 176.600 -0.064 0.000 1.049 72 K CA 1.793 58.040 56.287 -0.066 0.000 0.931 72 K CB -0.195 32.272 32.500 -0.056 0.000 0.714 72 K HN 0.658 nan 8.250 nan 0.000 0.440 73 E N -0.106 120.042 120.200 -0.088 0.000 2.106 73 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 73 E C 2.249 178.787 176.600 -0.103 0.000 0.984 73 E CA 0.937 57.287 56.400 -0.084 0.000 0.806 73 E CB 0.083 29.721 29.700 -0.104 0.000 0.750 73 E HN 0.245 nan 8.360 nan 0.000 0.458 74 R N 0.271 120.650 120.500 -0.202 0.000 2.075 74 R HA -0.065 4.274 4.340 -0.000 0.000 0.232 74 R C 2.384 178.682 176.300 -0.003 0.000 1.126 74 R CA 1.057 57.002 56.100 -0.258 0.000 0.963 74 R CB -0.261 29.763 30.300 -0.460 0.000 0.858 74 R HN 0.092 nan 8.270 nan 0.000 0.435 75 A N 1.347 124.162 122.820 -0.008 0.000 1.902 75 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 75 A C 2.382 180.009 177.584 0.073 0.000 1.181 75 A CA 1.733 53.796 52.037 0.043 0.000 0.623 75 A CB -0.684 18.313 19.000 -0.005 0.000 0.818 75 A HN 0.407 nan 8.150 nan 0.000 0.443 76 A N 0.048 122.896 122.820 0.047 0.000 1.873 76 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 76 A C 2.146 179.801 177.584 0.118 0.000 1.193 76 A CA 1.763 53.839 52.037 0.065 0.000 0.629 76 A CB -0.709 18.314 19.000 0.038 0.000 0.826 76 A HN 0.510 nan 8.150 nan 0.000 0.447 77 I N -0.555 120.100 120.570 0.142 0.000 2.208 77 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 77 I C 2.364 178.641 176.117 0.266 0.000 1.097 77 I CA 1.227 62.648 61.300 0.202 0.000 1.363 77 I CB -0.242 37.920 38.000 0.269 0.000 1.051 77 I HN 0.312 nan 8.210 nan 0.000 0.413 78 L N -0.052 121.353 121.223 0.304 0.000 2.109 78 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 78 L C 2.691 179.788 176.870 0.378 0.000 1.086 78 L CA 1.027 56.110 54.840 0.405 0.000 0.760 78 L CB -0.524 41.764 42.059 0.381 0.000 0.910 78 L HN 0.181 nan 8.230 nan 0.000 0.437 79 R N 0.404 121.054 120.500 0.249 0.000 2.096 79 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 79 R C 2.436 178.913 176.300 0.296 0.000 1.127 79 R CA 1.248 57.480 56.100 0.219 0.000 0.968 79 R CB -0.087 30.277 30.300 0.107 0.000 0.861 79 R HN 0.219 nan 8.270 nan 0.000 0.440 80 R N -0.792 119.859 120.500 0.252 0.000 2.127 80 R HA -0.204 4.136 4.340 -0.000 0.000 0.238 80 R C 1.890 178.370 176.300 0.301 0.000 1.134 80 R CA 1.598 57.837 56.100 0.232 0.000 0.975 80 R CB -0.442 29.964 30.300 0.177 0.000 0.865 80 R HN 0.401 nan 8.270 nan 0.000 0.447 81 W N 0.943 122.328 121.300 0.141 0.000 2.418 81 W HA -0.143 4.517 4.660 -0.000 0.000 0.292 81 W C 1.843 178.452 176.519 0.151 0.000 1.213 81 W CA 0.383 57.801 57.345 0.122 0.000 1.283 81 W CB -0.692 28.843 29.460 0.125 0.000 1.119 81 W HN -0.019 nan 8.180 nan 0.000 0.542 82 F N 1.849 121.816 119.950 0.029 0.000 2.069 82 F HA -0.278 4.249 4.527 -0.000 0.000 0.298 82 F C 2.150 177.924 175.800 -0.043 0.000 1.113 82 F CA 2.675 60.617 58.000 -0.096 0.000 1.214 82 F CB -0.747 38.239 39.000 -0.023 0.000 0.978 82 F HN -0.242 nan 8.300 nan 0.000 0.474 83 D N 0.857 121.283 120.400 0.043 0.000 2.106 83 D HA -0.210 4.430 4.640 -0.000 0.000 0.191 83 D C 2.295 178.533 176.300 -0.103 0.000 0.997 83 D CA 2.053 56.016 54.000 -0.062 0.000 0.834 83 D CB -0.600 40.262 40.800 0.103 0.000 0.956 83 D HN 0.359 nan 8.370 nan 0.000 0.448 84 L N 0.503 121.731 121.223 0.008 0.000 2.456 84 L HA -0.095 4.245 4.340 -0.000 0.000 0.224 84 L C 2.352 179.213 176.870 -0.015 0.000 1.148 84 L CA 0.117 54.978 54.840 0.036 0.000 0.825 84 L CB 0.072 42.215 42.059 0.139 0.000 0.937 84 L HN -0.089 nan 8.230 nan 0.000 0.450 85 V N -0.728 119.099 119.914 -0.145 0.000 2.446 85 V HA -0.155 3.965 4.120 -0.000 0.000 0.244 85 V C 2.287 178.251 176.094 -0.217 0.000 1.039 85 V CA 0.946 63.126 62.300 -0.200 0.000 1.045 85 V CB -0.074 31.535 31.823 -0.357 0.000 0.681 85 V HN 0.231 nan 8.190 nan 0.000 0.459 86 I N 0.899 121.257 120.570 -0.353 0.000 2.226 86 I HA -0.216 3.953 4.170 -0.000 0.000 0.245 86 I C 2.706 178.724 176.117 -0.165 0.000 1.100 86 I CA 1.993 63.099 61.300 -0.324 0.000 1.374 86 I CB -1.402 36.290 38.000 -0.513 0.000 1.057 86 I HN 0.314 nan 8.210 nan 0.000 0.413 87 A N 0.794 123.538 122.820 -0.125 0.000 1.873 87 A HA -0.151 4.169 4.320 -0.000 0.000 0.215 87 A C 1.687 179.251 177.584 -0.034 0.000 1.186 87 A CA 1.302 53.304 52.037 -0.059 0.000 0.616 87 A CB -0.759 18.222 19.000 -0.031 0.000 0.823 87 A HN 0.495 nan 8.150 nan 0.000 0.442 88 N N 0.383 119.069 118.700 -0.023 0.000 2.597 88 N HA 0.068 4.808 4.740 -0.000 0.000 0.269 88 N C 1.017 176.523 175.510 -0.007 0.000 1.204 88 N CA 0.445 53.497 53.050 0.003 0.000 0.947 88 N CB 0.344 38.856 38.487 0.042 0.000 1.258 88 N HN 0.508 nan 8.380 nan 0.000 0.508 89 S N 1.575 117.258 115.700 -0.028 0.000 2.338 89 S HA -0.142 4.328 4.470 -0.000 0.000 0.218 89 S C 1.393 175.986 174.600 -0.012 0.000 1.032 89 S CA 1.174 59.357 58.200 -0.029 0.000 0.999 89 S CB 0.080 63.255 63.200 -0.040 0.000 0.905 89 S HN 0.288 nan 8.310 nan 0.000 0.439 90 D N 1.406 121.800 120.400 -0.011 0.000 2.116 90 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 90 D C 1.590 177.886 176.300 -0.007 0.000 0.998 90 D CA 1.852 55.846 54.000 -0.009 0.000 0.836 90 D CB -0.765 40.029 40.800 -0.009 0.000 0.951 90 D HN 0.571 nan 8.370 nan 0.000 0.449 91 D N 0.434 120.831 120.400 -0.004 0.000 2.144 91 D HA -0.084 4.556 4.640 -0.000 0.000 0.199 91 D C 2.195 178.494 176.300 -0.001 0.000 0.984 91 D CA 0.362 54.359 54.000 -0.006 0.000 0.834 91 D CB -0.300 40.501 40.800 0.000 0.000 0.955 91 D HN 0.174 nan 8.370 nan 0.000 0.465 92 L N 0.221 121.451 121.223 0.011 0.000 2.156 92 L HA -0.023 4.317 4.340 -0.000 0.000 0.208 92 L C 2.313 179.192 176.870 0.015 0.000 1.095 92 L CA 0.759 55.614 54.840 0.024 0.000 0.770 92 L CB -0.209 41.871 42.059 0.034 0.000 0.914 92 L HN 0.048 nan 8.230 nan 0.000 0.439 93 A N -0.472 122.349 122.820 0.003 0.000 1.930 93 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 93 A C 2.110 179.689 177.584 -0.007 0.000 1.175 93 A CA 1.322 53.356 52.037 -0.005 0.000 0.627 93 A CB -0.485 18.510 19.000 -0.008 0.000 0.815 93 A HN 0.327 nan 8.150 nan 0.000 0.443 94 L N -0.477 120.740 121.223 -0.009 0.000 2.240 94 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 94 L C 2.027 178.888 176.870 -0.016 0.000 1.106 94 L CA 1.195 56.027 54.840 -0.014 0.000 0.793 94 L CB -0.279 41.768 42.059 -0.020 0.000 0.927 94 L HN 0.393 nan 8.230 nan 0.000 0.446 95 I N -1.242 119.321 120.570 -0.012 0.000 2.394 95 I HA -0.260 3.910 4.170 -0.000 0.000 0.251 95 I C 2.216 178.355 176.117 0.036 0.000 1.136 95 I CA 0.921 62.218 61.300 -0.005 0.000 1.425 95 I CB -0.091 37.911 38.000 0.004 0.000 1.079 95 I HN 0.304 nan 8.210 nan 0.000 0.425 96 L N 0.071 121.311 121.223 0.028 0.000 2.072 96 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 96 L C 2.472 179.352 176.870 0.016 0.000 1.079 96 L CA 1.897 56.753 54.840 0.027 0.000 0.752 96 L CB -0.533 41.523 42.059 -0.006 0.000 0.906 96 L HN 0.104 nan 8.230 nan 0.000 0.436 97 T N -1.212 113.343 114.554 0.002 0.000 2.746 97 T HA -0.162 4.188 4.350 -0.000 0.000 0.267 97 T C 1.679 176.384 174.700 0.009 0.000 1.039 97 T CA 1.905 64.005 62.100 0.000 0.000 1.142 97 T CB -0.399 68.467 68.868 -0.003 0.000 0.866 97 T HN 0.430 nan 8.240 nan 0.000 0.444 98 T N 2.091 116.652 114.554 0.012 0.000 2.821 98 T HA -0.089 4.261 4.350 -0.000 0.000 0.267 98 T C 1.934 176.662 174.700 0.046 0.000 1.046 98 T CA 1.441 63.548 62.100 0.011 0.000 1.139 98 T CB -0.191 68.670 68.868 -0.011 0.000 0.871 98 T HN 0.760 nan 8.240 nan 0.000 0.454 99 E N -0.179 120.075 120.200 0.091 0.000 2.452 99 E HA 0.109 4.459 4.350 -0.000 0.000 0.197 99 E C 2.113 178.772 176.600 0.099 0.000 1.022 99 E CA 0.143 56.627 56.400 0.141 0.000 0.890 99 E CB 0.117 29.974 29.700 0.262 0.000 0.918 99 E HN 0.198 nan 8.360 nan 0.000 0.496 100 Q N 0.592 120.433 119.800 0.069 0.000 2.580 100 Q HA 0.144 4.484 4.340 -0.000 0.000 0.239 100 Q C 0.728 176.746 176.000 0.030 0.000 0.873 100 Q CA 1.404 57.249 55.803 0.070 0.000 0.951 100 Q CB 1.163 29.937 28.738 0.061 0.000 1.172 100 Q HN 0.404 nan 8.270 nan 0.000 0.616 101 G N 2.672 111.475 108.800 0.006 0.000 2.392 101 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.215 101 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.215 101 G C -0.477 174.421 174.900 -0.003 0.000 1.097 101 G CA 0.412 45.502 45.100 -0.018 0.000 0.840 101 G HN 0.321 nan 8.290 nan 0.000 0.492 102 K N -0.622 119.775 120.400 -0.005 0.000 2.318 102 K HA 0.786 5.106 4.320 -0.000 0.000 0.249 102 K C -2.964 173.634 176.600 -0.004 0.000 0.942 102 K CA -2.540 53.742 56.287 -0.007 0.000 0.808 102 K CB 2.656 35.124 32.500 -0.053 0.000 1.189 102 K HN -0.039 nan 8.250 nan 0.000 0.428 103 P HA -0.064 nan 4.420 nan 0.000 0.264 103 P C 0.628 177.927 177.300 -0.002 0.000 1.183 103 P CA 0.000 63.108 63.100 0.012 0.000 0.763 103 P CB 0.430 32.142 31.700 0.020 0.000 0.807 104 L N 2.668 123.891 121.223 -0.000 0.000 2.103 104 L HA -0.355 3.985 4.340 -0.000 0.000 0.215 104 L C 2.330 179.197 176.870 -0.004 0.000 1.080 104 L CA 2.257 57.094 54.840 -0.005 0.000 0.764 104 L CB -0.858 41.200 42.059 -0.002 0.000 0.890 104 L HN 0.467 nan 8.230 nan 0.000 0.435 105 A N -0.437 122.384 122.820 0.002 0.000 1.908 105 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 105 A C 2.123 179.710 177.584 0.004 0.000 1.181 105 A CA 2.007 54.048 52.037 0.006 0.000 0.627 105 A CB -0.435 18.572 19.000 0.012 0.000 0.818 105 A HN 0.532 nan 8.150 nan 0.000 0.445 106 E N -0.604 119.593 120.200 -0.006 0.000 2.371 106 E HA 0.129 4.479 4.350 -0.000 0.000 0.194 106 E C 2.145 178.705 176.600 -0.068 0.000 1.012 106 E CA 0.465 56.850 56.400 -0.024 0.000 0.860 106 E CB -0.136 29.546 29.700 -0.029 0.000 0.811 106 E HN 0.632 nan 8.360 nan 0.000 0.502 107 A N 1.925 124.712 122.820 -0.055 0.000 1.840 107 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 107 A C 1.951 179.522 177.584 -0.022 0.000 1.198 107 A CA 1.126 53.128 52.037 -0.057 0.000 0.608 107 A CB -0.200 18.777 19.000 -0.038 0.000 0.839 107 A HN -0.011 nan 8.150 nan 0.000 0.443 108 K N -0.490 119.906 120.400 -0.006 0.000 2.152 108 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 108 K C 2.036 178.654 176.600 0.030 0.000 1.048 108 K CA 0.956 57.248 56.287 0.009 0.000 0.933 108 K CB -0.421 32.082 32.500 0.006 0.000 0.721 108 K HN 0.496 nan 8.250 nan 0.000 0.447 109 G N 1.598 110.416 108.800 0.030 0.000 2.480 109 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.216 109 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.216 109 G C 1.361 176.331 174.900 0.117 0.000 1.200 109 G CA 1.013 46.148 45.100 0.058 0.000 0.782 109 G HN 0.423 nan 8.290 nan 0.000 0.554 110 E N -0.093 120.164 120.200 0.095 0.000 2.077 110 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 110 E C 2.551 179.284 176.600 0.221 0.000 0.989 110 E CA 0.763 57.289 56.400 0.210 0.000 0.800 110 E CB -0.123 29.569 29.700 -0.014 0.000 0.746 110 E HN 0.295 nan 8.360 nan 0.000 0.452 111 I N 1.460 122.091 120.570 0.101 0.000 2.194 111 I HA -0.277 3.893 4.170 -0.000 0.000 0.246 111 I C 2.541 178.699 176.117 0.068 0.000 1.093 111 I CA 1.540 62.878 61.300 0.064 0.000 1.355 111 I CB -1.591 36.418 38.000 0.015 0.000 1.046 111 I HN 0.214 nan 8.210 nan 0.000 0.413 112 A N -0.283 122.591 122.820 0.091 0.000 1.897 112 A HA -0.256 4.064 4.320 -0.000 0.000 0.215 112 A C 2.354 180.030 177.584 0.153 0.000 1.181 112 A CA 1.226 53.314 52.037 0.085 0.000 0.620 112 A CB -1.039 18.009 19.000 0.080 0.000 0.821 112 A HN 0.465 nan 8.150 nan 0.000 0.443 113 Y N 0.753 121.100 120.300 0.078 0.000 2.242 113 Y HA -0.041 4.509 4.550 -0.000 0.000 0.291 113 Y C 2.529 178.569 175.900 0.233 0.000 1.137 113 Y CA 1.036 59.202 58.100 0.110 0.000 1.181 113 Y CB -0.452 38.119 38.460 0.185 0.000 0.989 113 Y HN 0.292 nan 8.280 nan 0.000 0.527 114 A N 0.255 123.217 122.820 0.238 0.000 1.972 114 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 114 A C 2.321 179.949 177.584 0.072 0.000 1.169 114 A CA 1.707 53.831 52.037 0.146 0.000 0.635 114 A CB -1.258 17.804 19.000 0.103 0.000 0.810 114 A HN 0.583 nan 8.150 nan 0.000 0.446 115 A N -0.078 122.769 122.820 0.045 0.000 2.030 115 A HA 0.103 4.423 4.320 -0.000 0.000 0.215 115 A C 2.376 180.107 177.584 0.246 0.000 1.164 115 A CA 1.521 53.611 52.037 0.088 0.000 0.697 115 A CB -0.727 18.231 19.000 -0.070 0.000 0.827 115 A HN 0.910 nan 8.150 nan 0.000 0.457 116 S N -0.276 115.465 115.700 0.069 0.000 2.370 116 S HA -0.193 4.277 4.470 -0.000 0.000 0.226 116 S C 1.700 176.143 174.600 -0.262 0.000 1.033 116 S CA 1.636 59.760 58.200 -0.127 0.000 1.011 116 S CB -0.812 62.193 63.200 -0.325 0.000 0.852 116 S HN 0.381 nan 8.310 nan 0.000 0.457 117 F N 1.669 121.528 119.950 -0.151 0.000 2.113 117 F HA 0.206 4.733 4.527 -0.000 0.000 0.297 117 F C 2.343 178.166 175.800 0.038 0.000 1.103 117 F CA 0.744 58.653 58.000 -0.153 0.000 1.248 117 F CB -0.601 38.321 39.000 -0.129 0.000 0.999 117 F HN 0.157 nan 8.300 nan 0.000 0.475 118 I N 0.028 120.736 120.570 0.229 0.000 2.194 118 I HA -0.325 3.845 4.170 -0.000 0.000 0.246 118 I C 2.555 178.763 176.117 0.152 0.000 1.093 118 I CA 1.767 63.182 61.300 0.191 0.000 1.355 118 I CB -0.480 37.499 38.000 -0.035 0.000 1.046 118 I HN 0.246 nan 8.210 nan 0.000 0.413 119 E N 0.794 121.001 120.200 0.012 0.000 2.015 119 E HA -0.275 4.075 4.350 -0.000 0.000 0.191 119 E C 2.209 178.743 176.600 -0.110 0.000 0.991 119 E CA 1.475 57.721 56.400 -0.257 0.000 0.802 119 E CB -0.362 28.927 29.700 -0.685 0.000 0.759 119 E HN 0.589 nan 8.360 nan 0.000 0.447 120 W N 0.567 121.696 121.300 -0.285 0.000 2.318 120 W HA -0.271 4.389 4.660 -0.000 0.000 0.313 120 W C 1.562 177.949 176.519 -0.220 0.000 1.221 120 W CA 1.295 58.438 57.345 -0.337 0.000 1.266 120 W CB -0.454 28.674 29.460 -0.553 0.000 1.150 120 W HN 0.159 nan 8.180 nan 0.000 0.496 121 F N 0.841 120.867 119.950 0.127 0.000 2.293 121 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 121 F C 2.739 178.523 175.800 -0.027 0.000 1.089 121 F CA 1.495 59.525 58.000 0.048 0.000 1.377 121 F CB -1.514 37.585 39.000 0.164 0.000 1.051 121 F HN -0.097 nan 8.300 nan 0.000 0.511 122 A N 0.316 123.233 122.820 0.162 0.000 1.917 122 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 122 A C 2.124 179.689 177.584 -0.031 0.000 1.182 122 A CA 2.094 54.177 52.037 0.077 0.000 0.633 122 A CB -0.760 18.277 19.000 0.062 0.000 0.819 122 A HN 0.471 nan 8.150 nan 0.000 0.448 123 E N -0.756 119.362 120.200 -0.137 0.000 2.107 123 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 123 E C 1.865 178.316 176.600 -0.248 0.000 0.982 123 E CA 0.812 57.076 56.400 -0.226 0.000 0.809 123 E CB -0.133 29.360 29.700 -0.344 0.000 0.756 123 E HN 0.455 nan 8.360 nan 0.000 0.459 124 E N 0.503 120.537 120.200 -0.276 0.000 2.268 124 E HA -0.081 4.269 4.350 -0.000 0.000 0.195 124 E C 2.036 178.619 176.600 -0.028 0.000 0.995 124 E CA 0.734 57.033 56.400 -0.168 0.000 0.836 124 E CB -0.194 29.506 29.700 -0.000 0.000 0.763 124 E HN 0.346 nan 8.360 nan 0.000 0.491 125 G N 0.489 109.287 108.800 -0.003 0.000 2.679 125 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.212 125 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.212 125 G C 1.370 176.250 174.900 -0.033 0.000 1.137 125 G CA 0.116 45.217 45.100 0.003 0.000 0.787 125 G HN 0.169 nan 8.290 nan 0.000 0.534 126 K N -0.529 119.836 120.400 -0.059 0.000 2.358 126 K HA 0.227 4.547 4.320 -0.000 0.000 0.200 126 K C 1.397 177.956 176.600 -0.069 0.000 1.030 126 K CA -0.165 56.082 56.287 -0.067 0.000 1.097 126 K CB 0.683 33.136 32.500 -0.079 0.000 0.862 126 K HN 0.077 nan 8.250 nan 0.000 0.534 127 R N 0.609 121.067 120.500 -0.069 0.000 2.565 127 R HA 0.163 4.503 4.340 -0.000 0.000 0.347 127 R C -0.415 175.858 176.300 -0.044 0.000 1.010 127 R CA -0.140 55.916 56.100 -0.072 0.000 1.126 127 R CB 1.191 31.425 30.300 -0.110 0.000 1.331 127 R HN -0.143 nan 8.270 nan 0.000 0.552 128 V N 2.087 121.990 119.914 -0.018 0.000 2.425 128 V HA 0.243 4.363 4.120 -0.000 0.000 0.276 128 V C 0.254 176.349 176.094 0.001 0.000 1.017 128 V CA -0.035 62.272 62.300 0.011 0.000 1.062 128 V CB 0.619 32.460 31.823 0.031 0.000 0.997 128 V HN 0.215 nan 8.190 nan 0.000 0.476 129 A N 4.650 127.470 122.820 0.000 0.000 2.356 129 A HA 0.854 5.174 4.320 -0.000 0.000 0.310 129 A C 0.402 177.993 177.584 0.011 0.000 1.075 129 A CA 0.009 52.043 52.037 -0.005 0.000 0.746 129 A CB 1.476 20.461 19.000 -0.026 0.000 1.221 129 A HN 0.849 nan 8.150 nan 0.000 0.443 130 G N 0.530 109.340 108.800 0.017 0.000 2.509 130 G HA2 0.550 4.510 3.960 -0.000 0.000 0.269 130 G HA3 0.550 4.510 3.960 -0.000 0.000 0.269 130 G C -0.866 174.048 174.900 0.023 0.000 1.416 130 G CA -0.351 44.766 45.100 0.029 0.000 1.052 130 G HN 0.680 nan 8.290 nan 0.000 0.542 131 D N -1.401 119.019 120.400 0.033 0.000 2.575 131 D HA 0.526 5.166 4.640 -0.000 0.000 0.236 131 D C -0.407 175.913 176.300 0.035 0.000 1.075 131 D CA -0.367 53.651 54.000 0.030 0.000 0.860 131 D CB 2.073 42.893 40.800 0.034 0.000 1.475 131 D HN 0.493 nan 8.370 nan 0.000 0.474 132 T N -0.280 114.290 114.554 0.026 0.000 2.791 132 T HA 0.689 5.039 4.350 -0.000 0.000 0.288 132 T C -0.758 173.958 174.700 0.026 0.000 0.999 132 T CA -0.752 61.365 62.100 0.029 0.000 0.952 132 T CB 0.089 68.968 68.868 0.018 0.000 0.938 132 T HN 0.229 nan 8.240 nan 0.000 0.444 133 L N 4.088 125.332 121.223 0.035 0.000 2.342 133 L HA 0.618 4.958 4.340 -0.000 0.000 0.271 133 L C -2.277 174.608 176.870 0.026 0.000 1.008 133 L CA -2.723 52.133 54.840 0.027 0.000 0.818 133 L CB 1.853 43.928 42.059 0.025 0.000 1.296 133 L HN 0.443 nan 8.230 nan 0.000 0.427 134 P HA 0.051 nan 4.420 nan 0.000 0.268 134 P C -0.409 176.902 177.300 0.019 0.000 1.204 134 P CA -0.110 63.000 63.100 0.016 0.000 0.768 134 P CB 0.642 32.348 31.700 0.009 0.000 0.842 135 T N 3.078 117.646 114.554 0.023 0.000 2.882 135 T HA 0.356 4.706 4.350 -0.000 0.000 0.287 135 T C -1.157 173.555 174.700 0.019 0.000 0.992 135 T CA -1.562 60.556 62.100 0.029 0.000 1.076 135 T CB 0.136 69.026 68.868 0.037 0.000 0.961 135 T HN 0.339 nan 8.240 nan 0.000 0.490 136 P HA 0.283 nan 4.420 nan 0.000 0.251 136 P C -0.492 176.817 177.300 0.016 0.000 1.223 136 P CA 0.183 63.291 63.100 0.013 0.000 0.796 136 P CB 0.414 32.119 31.700 0.007 0.000 1.068 137 D N -0.225 120.188 120.400 0.022 0.000 2.542 137 D HA 0.431 5.071 4.640 -0.000 0.000 0.252 137 D C 0.970 177.282 176.300 0.020 0.000 1.222 137 D CA -0.589 53.423 54.000 0.021 0.000 0.895 137 D CB 1.755 42.571 40.800 0.026 0.000 1.207 137 D HN -0.152 nan 8.370 nan 0.000 0.558 138 A N 3.893 126.722 122.820 0.014 0.000 2.084 138 A HA -0.221 4.099 4.320 -0.000 0.000 0.221 138 A C 1.462 179.053 177.584 0.011 0.000 1.161 138 A CA 1.260 53.304 52.037 0.012 0.000 0.653 138 A CB -0.194 18.811 19.000 0.008 0.000 0.802 138 A HN 0.566 nan 8.150 nan 0.000 0.457 139 N N -0.501 118.206 118.700 0.012 0.000 2.373 139 N HA 0.072 4.812 4.740 -0.000 0.000 0.181 139 N C -0.035 175.482 175.510 0.011 0.000 1.082 139 N CA 0.581 53.636 53.050 0.009 0.000 0.885 139 N CB 0.239 38.731 38.487 0.008 0.000 0.977 139 N HN 0.520 nan 8.380 nan 0.000 0.462 140 K N 0.202 120.614 120.400 0.019 0.000 2.318 140 K HA 0.476 4.796 4.320 -0.000 0.000 0.249 140 K C -0.622 175.996 176.600 0.030 0.000 0.942 140 K CA -0.729 55.571 56.287 0.023 0.000 0.808 140 K CB 1.889 34.412 32.500 0.038 0.000 1.189 140 K HN -0.279 nan 8.250 nan 0.000 0.428 141 R N 1.626 122.140 120.500 0.024 0.000 2.562 141 R HA 0.471 4.811 4.340 -0.000 0.000 0.298 141 R C -0.856 175.479 176.300 0.057 0.000 0.961 141 R CA -0.582 55.537 56.100 0.033 0.000 0.881 141 R CB 0.818 31.126 30.300 0.014 0.000 1.159 141 R HN 0.570 nan 8.270 nan 0.000 0.450 142 I N 3.521 124.147 120.570 0.092 0.000 2.304 142 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 142 I C -0.511 175.676 176.117 0.117 0.000 1.018 142 I CA -0.763 60.637 61.300 0.168 0.000 1.260 142 I CB 1.277 39.387 38.000 0.183 0.000 1.390 142 I HN 0.077 nan 8.210 nan 0.000 0.475 143 V N 7.515 127.497 119.914 0.114 0.000 2.577 143 V HA 0.387 4.507 4.120 -0.000 0.000 0.303 143 V C -0.222 175.940 176.094 0.113 0.000 1.042 143 V CA -0.626 61.719 62.300 0.075 0.000 0.872 143 V CB 2.463 34.299 31.823 0.021 0.000 0.998 143 V HN 0.377 nan 8.190 nan 0.000 0.423 144 V N 5.779 125.757 119.914 0.107 0.000 2.417 144 V HA 0.736 4.856 4.120 -0.000 0.000 0.291 144 V C -0.132 176.002 176.094 0.067 0.000 1.024 144 V CA -0.602 61.766 62.300 0.114 0.000 0.861 144 V CB 1.739 33.629 31.823 0.111 0.000 0.985 144 V HN 0.754 nan 8.190 nan 0.000 0.436 145 V N 2.329 122.279 119.914 0.060 0.000 3.074 145 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 145 V C -0.793 175.332 176.094 0.052 0.000 1.117 145 V CA -1.039 61.287 62.300 0.042 0.000 1.014 145 V CB 2.292 34.129 31.823 0.023 0.000 1.057 145 V HN 0.810 nan 8.190 nan 0.000 0.438 146 K N 1.844 122.273 120.400 0.048 0.000 2.316 146 K HA 0.728 5.048 4.320 -0.000 0.000 0.251 146 K C -0.942 175.697 176.600 0.064 0.000 0.934 146 K CA -0.546 55.779 56.287 0.063 0.000 0.802 146 K CB 2.155 34.695 32.500 0.067 0.000 1.171 146 K HN 1.014 nan 8.250 nan 0.000 0.426 147 E N 1.434 121.687 120.200 0.089 0.000 2.433 147 E HA 0.416 4.766 4.350 -0.000 0.000 0.278 147 E C -2.930 173.777 176.600 0.180 0.000 0.976 147 E CA -2.564 53.902 56.400 0.110 0.000 0.793 147 E CB 1.698 31.450 29.700 0.087 0.000 1.311 147 E HN 0.140 nan 8.360 nan 0.000 0.460 148 P HA -0.003 nan 4.420 nan 0.000 0.264 148 P C 0.493 178.022 177.300 0.382 0.000 1.193 148 P CA 0.184 63.505 63.100 0.368 0.000 0.763 148 P CB 0.865 32.934 31.700 0.616 0.000 0.810 149 I N 1.751 122.428 120.570 0.179 0.000 2.226 149 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 149 I C 1.228 177.259 176.117 -0.144 0.000 1.100 149 I CA 2.414 63.745 61.300 0.052 0.000 1.374 149 I CB -0.328 37.661 38.000 -0.019 0.000 1.057 149 I HN 0.740 nan 8.210 nan 0.000 0.413 150 G N -1.259 107.231 108.800 -0.517 0.000 2.291 150 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.249 150 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.249 150 G C -0.981 173.374 174.900 -0.909 0.000 1.340 150 G CA -0.348 43.952 45.100 -1.334 0.000 1.017 150 G HN -0.071 nan 8.290 nan 0.000 0.470 151 V N 0.411 119.910 119.914 -0.691 0.000 2.493 151 V HA 0.341 4.461 4.120 -0.000 0.000 0.292 151 V C 0.784 176.734 176.094 -0.241 0.000 1.016 151 V CA 0.035 62.107 62.300 -0.380 0.000 1.097 151 V CB 0.086 31.760 31.823 -0.248 0.000 0.947 151 V HN 0.822 nan 8.190 nan 0.000 0.479 152 C N 4.299 123.501 119.300 -0.162 0.000 2.470 152 C HA 0.940 5.400 4.460 -0.000 0.000 0.341 152 C C 0.496 175.454 174.990 -0.053 0.000 1.190 152 C CA -0.513 58.456 59.018 -0.081 0.000 1.904 152 C CB 1.330 29.089 27.740 0.032 0.000 2.354 152 C HN 1.029 nan 8.230 nan 0.000 0.509 153 A N 1.086 123.889 122.820 -0.029 0.000 2.398 153 A HA 0.861 5.181 4.320 -0.000 0.000 0.301 153 A C -0.915 176.685 177.584 0.026 0.000 1.041 153 A CA -0.233 51.798 52.037 -0.010 0.000 0.711 153 A CB 1.013 19.999 19.000 -0.023 0.000 1.240 153 A HN 1.404 nan 8.150 nan 0.000 0.420 154 A N 2.415 125.258 122.820 0.039 0.000 2.330 154 A HA 0.762 5.082 4.320 -0.000 0.000 0.313 154 A C -0.840 176.779 177.584 0.059 0.000 1.124 154 A CA -0.331 51.741 52.037 0.057 0.000 0.774 154 A CB 0.534 19.569 19.000 0.060 0.000 1.198 154 A HN 0.750 nan 8.150 nan 0.000 0.465 155 I N 2.821 123.443 120.570 0.086 0.000 2.355 155 I HA 0.375 4.545 4.170 -0.000 0.000 0.288 155 I C 0.539 176.649 176.117 -0.011 0.000 0.999 155 I CA -0.234 61.124 61.300 0.097 0.000 1.163 155 I CB 2.109 40.274 38.000 0.275 0.000 1.316 155 I HN 0.753 nan 8.210 nan 0.000 0.454 156 T N 4.363 118.908 114.554 -0.015 0.000 2.925 156 T HA 0.656 5.006 4.350 -0.000 0.000 0.285 156 T C -2.487 172.177 174.700 -0.060 0.000 1.021 156 T CA -1.880 60.181 62.100 -0.064 0.000 1.042 156 T CB 2.233 71.089 68.868 -0.020 0.000 1.037 156 T HN 0.231 nan 8.240 nan 0.000 0.481 157 P HA 0.341 nan 4.420 nan 0.000 0.344 157 P C 0.620 177.896 177.300 -0.039 0.000 1.321 157 P CA -0.460 62.555 63.100 -0.142 0.000 0.773 157 P CB 0.782 32.262 31.700 -0.366 0.000 1.723 158 W N -0.357 120.924 121.300 -0.032 0.000 2.871 158 W HA 0.097 4.757 4.660 -0.000 0.000 0.267 158 W C 0.746 177.268 176.519 0.005 0.000 1.180 158 W CA 0.469 57.804 57.345 -0.017 0.000 1.463 158 W CB -1.713 27.724 29.460 -0.037 0.000 0.966 158 W HN 0.156 nan 8.180 nan 0.000 0.605 159 N N 0.908 119.394 118.700 -0.356 0.000 2.457 159 N HA -0.051 4.689 4.740 -0.000 0.000 0.180 159 N C -0.046 175.521 175.510 0.096 0.000 1.050 159 N CA 0.615 53.568 53.050 -0.162 0.000 0.906 159 N CB -0.908 37.224 38.487 -0.592 0.000 0.968 159 N HN 0.081 nan 8.380 nan 0.000 0.445 160 F N 0.091 119.971 119.950 -0.117 0.000 2.627 160 F HA 0.360 4.887 4.527 -0.000 0.000 0.344 160 F C -1.988 173.806 175.800 -0.010 0.000 1.505 160 F CA -1.790 56.190 58.000 -0.033 0.000 1.111 160 F CB 1.875 40.853 39.000 -0.036 0.000 1.585 160 F HN -0.100 nan 8.300 nan 0.000 0.582 161 P HA 0.055 nan 4.420 nan 0.000 0.252 161 P C 0.690 178.050 177.300 0.100 0.000 1.265 161 P CA 0.730 63.887 63.100 0.094 0.000 0.775 161 P CB 0.457 32.219 31.700 0.104 0.000 1.128 162 A N -0.181 122.705 122.820 0.111 0.000 1.975 162 A HA 0.499 4.819 4.320 -0.000 0.000 0.197 162 A C 2.169 179.825 177.584 0.119 0.000 1.537 162 A CA 0.761 52.866 52.037 0.113 0.000 0.972 162 A CB -0.833 18.223 19.000 0.093 0.000 1.019 162 A HN 0.113 nan 8.150 nan 0.000 0.488 163 A N -0.372 122.562 122.820 0.190 0.000 1.969 163 A HA -0.030 4.290 4.320 -0.000 0.000 0.218 163 A C 2.098 179.656 177.584 -0.043 0.000 1.169 163 A CA 1.767 53.907 52.037 0.171 0.000 0.635 163 A CB -0.489 18.823 19.000 0.519 0.000 0.810 163 A HN 0.386 nan 8.150 nan 0.000 0.445 164 M N -0.902 118.700 119.600 0.003 0.000 2.132 164 M HA -0.048 4.432 4.480 -0.000 0.000 0.263 164 M C 2.052 178.316 176.300 -0.060 0.000 1.065 164 M CA 1.174 56.423 55.300 -0.086 0.000 1.122 164 M CB -1.204 31.365 32.600 -0.052 0.000 1.365 164 M HN 0.331 nan 8.290 nan 0.000 0.411 165 I N 0.980 121.564 120.570 0.024 0.000 2.118 165 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 165 I C 2.643 178.821 176.117 0.101 0.000 1.070 165 I CA 1.855 63.206 61.300 0.085 0.000 1.327 165 I CB -1.102 36.993 38.000 0.159 0.000 1.034 165 I HN 0.237 nan 8.210 nan 0.000 0.405 166 A N -0.130 122.736 122.820 0.076 0.000 1.972 166 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 166 A C 2.396 180.008 177.584 0.047 0.000 1.169 166 A CA 1.409 53.504 52.037 0.097 0.000 0.635 166 A CB -0.595 18.420 19.000 0.024 0.000 0.810 166 A HN 0.366 nan 8.150 nan 0.000 0.446 167 R N -0.777 119.606 120.500 -0.195 0.000 2.285 167 R HA -0.024 4.316 4.340 -0.000 0.000 0.213 167 R C 1.388 177.629 176.300 -0.100 0.000 1.068 167 R CA 1.008 56.939 56.100 -0.282 0.000 1.004 167 R CB 0.077 29.987 30.300 -0.650 0.000 0.873 167 R HN 0.327 nan 8.270 nan 0.000 0.467 168 K N -0.625 119.746 120.400 -0.048 0.000 2.286 168 K HA 0.113 4.433 4.320 -0.000 0.000 0.203 168 K C 1.962 178.547 176.600 -0.025 0.000 1.078 168 K CA 0.486 56.776 56.287 0.004 0.000 0.957 168 K CB -0.162 32.363 32.500 0.042 0.000 1.018 168 K HN -0.047 nan 8.250 nan 0.000 0.484 169 V N 1.538 121.481 119.914 0.049 0.000 2.379 169 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 169 V C 2.404 178.541 176.094 0.072 0.000 1.044 169 V CA 2.111 64.458 62.300 0.078 0.000 1.036 169 V CB -1.147 30.792 31.823 0.193 0.000 0.664 169 V HN 0.387 nan 8.190 nan 0.000 0.453 170 G N 1.814 110.714 108.800 0.167 0.000 2.599 170 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.219 170 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.219 170 G C 0.077 174.933 174.900 -0.074 0.000 1.193 170 G CA 1.539 46.789 45.100 0.249 0.000 0.778 170 G HN 0.579 nan 8.290 nan 0.000 0.589 171 P HA 0.154 nan 4.420 nan 0.000 0.227 171 P C 1.819 178.626 177.300 -0.822 0.000 1.161 171 P CA 1.460 63.920 63.100 -1.067 0.000 0.788 171 P CB 0.152 30.876 31.700 -1.627 0.000 0.822 172 A N 0.601 122.989 122.820 -0.720 0.000 1.832 172 A HA -0.116 4.204 4.320 -0.000 0.000 0.214 172 A C 2.159 179.762 177.584 0.031 0.000 1.200 172 A CA 1.368 53.221 52.037 -0.306 0.000 0.610 172 A CB -1.629 17.329 19.000 -0.070 0.000 0.842 172 A HN 0.051 nan 8.150 nan 0.000 0.444 173 L N -0.099 121.192 121.223 0.113 0.000 2.079 173 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 173 L C 2.976 180.169 176.870 0.539 0.000 1.081 173 L CA 1.948 57.047 54.840 0.433 0.000 0.752 173 L CB -0.917 41.312 42.059 0.282 0.000 0.896 173 L HN 0.430 nan 8.230 nan 0.000 0.433 174 A N -0.803 122.166 122.820 0.249 0.000 1.902 174 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 174 A C 2.414 180.048 177.584 0.082 0.000 1.181 174 A CA 1.611 53.737 52.037 0.148 0.000 0.623 174 A CB -0.886 18.183 19.000 0.115 0.000 0.818 174 A HN 0.380 nan 8.150 nan 0.000 0.443 175 A N -2.004 120.860 122.820 0.073 0.000 2.172 175 A HA 0.332 4.652 4.320 -0.000 0.000 0.216 175 A C 1.945 179.627 177.584 0.163 0.000 1.154 175 A CA 1.588 53.686 52.037 0.101 0.000 0.701 175 A CB -0.880 18.193 19.000 0.121 0.000 0.789 175 A HN 1.943 nan 8.150 nan 0.000 0.465 176 G N -2.891 106.052 108.800 0.238 0.000 2.179 176 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.220 176 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.220 176 G C 0.116 175.418 174.900 0.670 0.000 0.990 176 G CA -0.077 45.204 45.100 0.301 0.000 0.646 176 G HN 0.606 nan 8.290 nan 0.000 0.517 177 C N 3.171 122.754 119.300 0.472 0.000 2.435 177 C HA 0.629 5.089 4.460 -0.000 0.000 0.375 177 C C -1.251 173.813 174.990 0.124 0.000 1.281 177 C CA -1.208 57.950 59.018 0.233 0.000 1.963 177 C CB 1.076 28.904 27.740 0.147 0.000 2.490 177 C HN 0.435 nan 8.230 nan 0.000 0.557 178 P HA 0.550 nan 4.420 nan 0.000 0.282 178 P C -0.868 176.345 177.300 -0.145 0.000 1.249 178 P CA -0.189 62.817 63.100 -0.156 0.000 0.806 178 P CB 1.113 32.733 31.700 -0.133 0.000 0.984 179 I N 1.508 121.990 120.570 -0.147 0.000 2.619 179 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 179 I C -1.300 174.758 176.117 -0.099 0.000 1.100 179 I CA -1.132 60.113 61.300 -0.091 0.000 1.043 179 I CB 2.230 40.211 38.000 -0.031 0.000 1.239 179 I HN -0.027 nan 8.210 nan 0.000 0.420 180 V N 7.240 127.110 119.914 -0.073 0.000 2.435 180 V HA 0.508 4.628 4.120 -0.000 0.000 0.290 180 V C -0.488 175.589 176.094 -0.027 0.000 1.030 180 V CA -0.594 61.666 62.300 -0.066 0.000 0.881 180 V CB 1.691 33.472 31.823 -0.070 0.000 0.983 180 V HN 0.431 nan 8.190 nan 0.000 0.445 181 V N 4.372 124.277 119.914 -0.014 0.000 2.448 181 V HA 0.511 4.631 4.120 -0.000 0.000 0.295 181 V C -0.037 176.067 176.094 0.018 0.000 1.025 181 V CA -0.915 61.394 62.300 0.015 0.000 0.859 181 V CB 1.846 33.691 31.823 0.036 0.000 0.988 181 V HN 0.769 nan 8.190 nan 0.000 0.431 182 K N 6.311 126.725 120.400 0.024 0.000 2.347 182 K HA 0.457 4.777 4.320 -0.000 0.000 0.262 182 K C -2.799 173.821 176.600 0.034 0.000 1.052 182 K CA -1.902 54.398 56.287 0.023 0.000 0.946 182 K CB 1.933 34.444 32.500 0.019 0.000 1.220 182 K HN 0.366 nan 8.250 nan 0.000 0.450 183 P HA 0.079 nan 4.420 nan 0.000 0.274 183 P C -0.868 176.456 177.300 0.040 0.000 1.256 183 P CA -0.453 62.671 63.100 0.040 0.000 0.795 183 P CB 0.463 32.190 31.700 0.044 0.000 1.038 184 A N 0.698 123.558 122.820 0.066 0.000 2.567 184 A HA 0.303 4.623 4.320 -0.000 0.000 0.240 184 A C 1.619 179.235 177.584 0.054 0.000 1.053 184 A CA 0.591 52.686 52.037 0.097 0.000 0.755 184 A CB -1.031 18.085 19.000 0.195 0.000 0.978 184 A HN 0.620 nan 8.150 nan 0.000 0.507 185 E N 1.463 121.676 120.200 0.021 0.000 2.515 185 E HA -0.053 4.297 4.350 -0.000 0.000 0.201 185 E C 1.897 178.552 176.600 0.093 0.000 1.071 185 E CA 1.474 57.860 56.400 -0.024 0.000 0.880 185 E CB -0.381 29.209 29.700 -0.184 0.000 0.828 185 E HN 1.040 nan 8.360 nan 0.000 0.540 186 S N -0.061 115.690 115.700 0.087 0.000 2.470 186 S HA -0.020 4.450 4.470 -0.000 0.000 0.222 186 S C 1.482 176.122 174.600 0.066 0.000 1.024 186 S CA 1.404 59.649 58.200 0.074 0.000 0.931 186 S CB 0.148 63.346 63.200 -0.004 0.000 0.791 186 S HN 0.696 nan 8.310 nan 0.000 0.513 187 T N -0.531 114.065 114.554 0.070 0.000 3.839 187 T HA 0.461 4.811 4.350 -0.000 0.000 0.230 187 T C -2.306 172.400 174.700 0.010 0.000 1.095 187 T CA -0.899 61.243 62.100 0.070 0.000 1.470 187 T CB 1.388 70.346 68.868 0.151 0.000 0.881 187 T HN 0.145 nan 8.240 nan 0.000 0.637 188 P HA 0.192 nan 4.420 nan 0.000 0.240 188 P C 0.844 178.061 177.300 -0.137 0.000 1.190 188 P CA -0.063 62.937 63.100 -0.166 0.000 0.781 188 P CB -0.081 31.458 31.700 -0.269 0.000 0.931 189 F N 1.325 121.312 119.950 0.061 0.000 2.098 189 F HA -0.081 4.446 4.527 -0.000 0.000 0.294 189 F C 2.631 178.456 175.800 0.040 0.000 1.107 189 F CA 1.353 59.365 58.000 0.019 0.000 1.234 189 F CB -1.652 37.334 39.000 -0.022 0.000 1.002 189 F HN -0.129 nan 8.300 nan 0.000 0.472 190 S N 0.427 116.270 115.700 0.238 0.000 2.374 190 S HA -0.273 4.197 4.470 -0.000 0.000 0.227 190 S C 2.290 176.992 174.600 0.169 0.000 1.037 190 S CA 1.297 59.596 58.200 0.166 0.000 1.024 190 S CB -0.950 62.325 63.200 0.125 0.000 0.861 190 S HN 0.378 nan 8.310 nan 0.000 0.456 191 A N 0.679 123.592 122.820 0.156 0.000 2.015 191 A HA 0.149 4.469 4.320 -0.000 0.000 0.219 191 A C 2.055 179.756 177.584 0.195 0.000 1.163 191 A CA 0.829 52.962 52.037 0.160 0.000 0.646 191 A CB -0.466 18.604 19.000 0.118 0.000 0.806 191 A HN 0.462 nan 8.150 nan 0.000 0.448 192 L N -1.306 120.041 121.223 0.206 0.000 2.341 192 L HA -0.006 4.334 4.340 -0.000 0.000 0.214 192 L C 2.842 179.900 176.870 0.314 0.000 1.115 192 L CA 0.661 55.663 54.840 0.270 0.000 0.820 192 L CB -0.177 42.041 42.059 0.264 0.000 0.944 192 L HN 0.432 nan 8.230 nan 0.000 0.452 193 A N -0.407 122.566 122.820 0.255 0.000 1.930 193 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 193 A C 2.208 180.006 177.584 0.357 0.000 1.176 193 A CA 1.104 53.304 52.037 0.271 0.000 0.632 193 A CB -0.301 18.812 19.000 0.188 0.000 0.819 193 A HN 0.308 nan 8.150 nan 0.000 0.445 194 M N -0.424 119.387 119.600 0.352 0.000 2.296 194 M HA -0.114 4.366 4.480 -0.000 0.000 0.265 194 M C 2.419 178.951 176.300 0.386 0.000 1.064 194 M CA 1.104 56.715 55.300 0.519 0.000 1.109 194 M CB -0.317 32.625 32.600 0.570 0.000 1.396 194 M HN 0.510 nan 8.290 nan 0.000 0.430 195 A N 0.175 123.122 122.820 0.213 0.000 1.877 195 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 195 A C 1.939 179.447 177.584 -0.127 0.000 1.186 195 A CA 1.354 53.370 52.037 -0.036 0.000 0.620 195 A CB -1.001 17.992 19.000 -0.011 0.000 0.822 195 A HN 0.519 nan 8.150 nan 0.000 0.443 196 F N 0.461 120.438 119.950 0.046 0.000 2.269 196 F HA -0.099 4.428 4.527 -0.000 0.000 0.301 196 F C 1.747 177.584 175.800 0.061 0.000 1.082 196 F CA 1.417 59.507 58.000 0.151 0.000 1.360 196 F CB -0.135 38.979 39.000 0.190 0.000 1.041 196 F HN 0.132 nan 8.300 nan 0.000 0.512 197 L N -0.748 120.523 121.223 0.080 0.000 2.162 197 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 197 L C 2.769 179.588 176.870 -0.086 0.000 1.086 197 L CA 0.855 55.737 54.840 0.071 0.000 0.778 197 L CB -1.110 41.188 42.059 0.397 0.000 0.928 197 L HN 0.139 nan 8.230 nan 0.000 0.446 198 A N 0.145 122.709 122.820 -0.428 0.000 1.902 198 A HA -0.272 4.048 4.320 -0.000 0.000 0.217 198 A C 2.246 179.583 177.584 -0.411 0.000 1.181 198 A CA 1.931 53.453 52.037 -0.857 0.000 0.623 198 A CB -0.566 17.689 19.000 -1.241 0.000 0.818 198 A HN 0.488 nan 8.150 nan 0.000 0.443 199 E N -0.199 119.799 120.200 -0.335 0.000 2.049 199 E HA -0.273 4.077 4.350 -0.000 0.000 0.198 199 E C 2.278 178.773 176.600 -0.174 0.000 1.007 199 E CA 1.449 57.717 56.400 -0.219 0.000 0.809 199 E CB -0.208 29.326 29.700 -0.277 0.000 0.749 199 E HN 0.580 nan 8.360 nan 0.000 0.450 200 R N -0.166 120.191 120.500 -0.237 0.000 2.083 200 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 200 R C 2.487 178.744 176.300 -0.071 0.000 1.137 200 R CA 1.195 57.187 56.100 -0.180 0.000 0.951 200 R CB -0.429 29.726 30.300 -0.241 0.000 0.851 200 R HN 0.262 nan 8.270 nan 0.000 0.434 201 A N -0.346 122.450 122.820 -0.041 0.000 1.940 201 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 201 A C 1.533 179.138 177.584 0.035 0.000 1.176 201 A CA 1.896 53.958 52.037 0.041 0.000 0.631 201 A CB -0.285 18.785 19.000 0.117 0.000 0.814 201 A HN 0.554 nan 8.150 nan 0.000 0.446 202 G N -2.783 106.012 108.800 -0.008 0.000 2.174 202 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.140 202 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.140 202 G C -0.059 174.856 174.900 0.025 0.000 1.031 202 G CA -0.159 44.955 45.100 0.023 0.000 0.728 202 G HN 0.694 nan 8.290 nan 0.000 0.496 203 V N 2.391 122.264 119.914 -0.070 0.000 2.458 203 V HA 0.251 4.371 4.120 -0.000 0.000 0.287 203 V C -1.108 174.908 176.094 -0.130 0.000 1.009 203 V CA -0.525 61.673 62.300 -0.171 0.000 1.091 203 V CB 0.646 32.266 31.823 -0.338 0.000 0.960 203 V HN 0.224 nan 8.190 nan 0.000 0.476 204 P HA 0.235 nan 4.420 nan 0.000 0.269 204 P C -0.011 177.220 177.300 -0.115 0.000 1.215 204 P CA -0.138 62.931 63.100 -0.052 0.000 0.780 204 P CB 0.327 32.046 31.700 0.032 0.000 0.898 205 K N 1.541 121.892 120.400 -0.080 0.000 2.472 205 K HA 0.390 4.710 4.320 -0.000 0.000 0.280 205 K C 1.370 177.875 176.600 -0.159 0.000 1.028 205 K CA 0.310 56.518 56.287 -0.130 0.000 1.045 205 K CB -1.291 31.157 32.500 -0.087 0.000 0.902 205 K HN 0.914 nan 8.250 nan 0.000 0.478 206 G N 0.251 108.904 108.800 -0.245 0.000 2.308 206 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.221 206 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.221 206 G C 1.405 176.164 174.900 -0.235 0.000 1.032 206 G CA 0.493 45.464 45.100 -0.214 0.000 0.623 206 G HN 1.170 nan 8.290 nan 0.000 0.506 207 V N 0.602 120.352 119.914 -0.275 0.000 2.913 207 V HA 0.322 4.442 4.120 -0.000 0.000 0.260 207 V C 0.950 176.819 176.094 -0.375 0.000 1.098 207 V CA 1.959 64.024 62.300 -0.391 0.000 1.121 207 V CB -0.103 31.312 31.823 -0.680 0.000 0.714 207 V HN 0.637 nan 8.190 nan 0.000 0.487 208 L N -0.890 120.139 121.223 -0.325 0.000 2.455 208 L HA 0.701 5.041 4.340 -0.000 0.000 0.264 208 L C -0.743 175.949 176.870 -0.297 0.000 0.968 208 L CA 0.113 54.800 54.840 -0.255 0.000 0.827 208 L CB 2.358 44.304 42.059 -0.188 0.000 1.317 208 L HN -0.067 nan 8.230 nan 0.000 0.407 209 S N 2.697 118.279 115.700 -0.196 0.000 2.541 209 S HA 0.816 5.286 4.470 -0.000 0.000 0.280 209 S C -1.390 173.180 174.600 -0.050 0.000 1.112 209 S CA -0.562 57.523 58.200 -0.192 0.000 0.925 209 S CB 2.182 65.265 63.200 -0.195 0.000 1.067 209 S HN 0.399 nan 8.310 nan 0.000 0.479 210 V N 3.157 123.074 119.914 0.005 0.000 2.376 210 V HA 0.495 4.615 4.120 -0.000 0.000 0.287 210 V C -0.793 175.325 176.094 0.039 0.000 1.015 210 V CA -0.578 61.757 62.300 0.058 0.000 0.834 210 V CB 1.466 33.372 31.823 0.138 0.000 1.001 210 V HN 0.679 nan 8.190 nan 0.000 0.428 211 V N 6.938 126.861 119.914 0.016 0.000 2.378 211 V HA 0.573 4.693 4.120 -0.000 0.000 0.288 211 V C -0.281 175.813 176.094 -0.000 0.000 1.016 211 V CA -0.380 61.922 62.300 0.003 0.000 0.840 211 V CB 1.427 33.237 31.823 -0.021 0.000 0.994 211 V HN 0.758 nan 8.190 nan 0.000 0.431 212 I N 2.857 123.428 120.570 0.001 0.000 2.603 212 I HA 1.035 5.205 4.170 -0.000 0.000 0.300 212 I C 0.814 176.892 176.117 -0.066 0.000 1.017 212 I CA -0.253 61.028 61.300 -0.032 0.000 1.098 212 I CB 1.918 39.904 38.000 -0.024 0.000 1.279 212 I HN 0.726 nan 8.210 nan 0.000 0.437 213 G N 3.156 111.871 108.800 -0.142 0.000 1.969 213 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.055 213 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.055 213 G C -1.470 173.265 174.900 -0.276 0.000 0.734 213 G CA -0.439 44.535 45.100 -0.209 0.000 1.109 213 G HN 0.552 nan 8.290 nan 0.000 0.348 214 D N 2.683 122.980 120.400 -0.171 0.000 2.396 214 D HA 0.493 5.133 4.640 -0.000 0.000 0.225 214 D C -0.909 175.331 176.300 -0.100 0.000 1.121 214 D CA -1.932 51.980 54.000 -0.147 0.000 0.853 214 D CB 2.089 42.832 40.800 -0.095 0.000 1.043 214 D HN -0.008 nan 8.370 nan 0.000 0.500 215 P HA -0.144 nan 4.420 nan 0.000 0.218 215 P C 0.579 177.862 177.300 -0.028 0.000 1.148 215 P CA 1.253 64.326 63.100 -0.044 0.000 0.822 215 P CB 0.176 31.859 31.700 -0.028 0.000 0.784 216 K N -0.932 119.447 120.400 -0.035 0.000 2.570 216 K HA 0.647 4.967 4.320 -0.000 0.000 0.210 216 K C 1.338 177.920 176.600 -0.031 0.000 1.048 216 K CA 0.531 56.801 56.287 -0.029 0.000 1.167 216 K CB -0.343 32.144 32.500 -0.022 0.000 0.892 216 K HN 0.259 nan 8.250 nan 0.000 0.480 217 A N -0.566 122.232 122.820 -0.036 0.000 1.704 217 A HA 0.319 4.639 4.320 -0.000 0.000 0.211 217 A C 1.877 179.441 177.584 -0.033 0.000 1.792 217 A CA 0.634 52.651 52.037 -0.033 0.000 1.264 217 A CB 0.063 19.042 19.000 -0.036 0.000 1.235 217 A HN 0.222 nan 8.150 nan 0.000 0.440 218 I N 0.929 121.477 120.570 -0.036 0.000 2.179 218 I HA -0.147 4.023 4.170 -0.000 0.000 0.242 218 I C 2.601 178.703 176.117 -0.025 0.000 1.088 218 I CA 1.539 62.820 61.300 -0.031 0.000 1.357 218 I CB -0.445 37.535 38.000 -0.033 0.000 1.051 218 I HN 0.374 nan 8.210 nan 0.000 0.409 219 G N 0.248 109.035 108.800 -0.022 0.000 2.443 219 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.219 219 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.219 219 G C 1.636 176.516 174.900 -0.033 0.000 1.131 219 G CA 1.309 46.396 45.100 -0.021 0.000 0.775 219 G HN 0.342 nan 8.290 nan 0.000 0.547 220 T N 0.528 115.062 114.554 -0.033 0.000 2.896 220 T HA -0.010 4.340 4.350 -0.000 0.000 0.263 220 T C 2.134 176.815 174.700 -0.032 0.000 1.050 220 T CA 1.329 63.408 62.100 -0.034 0.000 1.140 220 T CB 0.003 68.852 68.868 -0.030 0.000 0.877 220 T HN 0.436 nan 8.240 nan 0.000 0.457 221 E N 1.549 121.731 120.200 -0.030 0.000 2.077 221 E HA -0.066 4.284 4.350 -0.000 0.000 0.193 221 E C 1.919 178.499 176.600 -0.032 0.000 0.989 221 E CA 1.069 57.451 56.400 -0.029 0.000 0.800 221 E CB -0.620 29.063 29.700 -0.029 0.000 0.746 221 E HN 0.521 nan 8.360 nan 0.000 0.452 222 I N 0.759 121.310 120.570 -0.032 0.000 2.090 222 I HA -0.296 3.874 4.170 -0.000 0.000 0.236 222 I C 2.470 178.564 176.117 -0.038 0.000 1.064 222 I CA 1.914 63.193 61.300 -0.034 0.000 1.324 222 I CB -0.865 37.118 38.000 -0.028 0.000 1.044 222 I HN 0.319 nan 8.210 nan 0.000 0.399 223 T N -1.666 112.864 114.554 -0.040 0.000 2.802 223 T HA -0.171 4.179 4.350 -0.000 0.000 0.269 223 T C 1.310 175.986 174.700 -0.040 0.000 1.062 223 T CA 1.386 63.460 62.100 -0.044 0.000 1.133 223 T CB -0.642 68.195 68.868 -0.052 0.000 0.852 223 T HN 0.445 nan 8.240 nan 0.000 0.485 224 S N 0.343 116.022 115.700 -0.035 0.000 2.525 224 S HA 0.367 4.837 4.470 -0.000 0.000 0.242 224 S C -0.233 174.349 174.600 -0.030 0.000 1.164 224 S CA -0.988 57.193 58.200 -0.031 0.000 1.154 224 S CB -0.272 62.911 63.200 -0.028 0.000 0.875 224 S HN 0.311 nan 8.310 nan 0.000 0.482 225 N N 2.721 121.401 118.700 -0.033 0.000 2.483 225 N HA 0.415 5.155 4.740 -0.000 0.000 0.267 225 N C -2.208 173.280 175.510 -0.036 0.000 0.998 225 N CA -2.051 50.979 53.050 -0.033 0.000 0.918 225 N CB 2.223 40.688 38.487 -0.037 0.000 1.215 225 N HN 0.071 nan 8.380 nan 0.000 0.500 226 P HA -0.016 nan 4.420 nan 0.000 0.234 226 P C 1.273 178.554 177.300 -0.032 0.000 1.167 226 P CA 0.608 63.691 63.100 -0.027 0.000 0.763 226 P CB 0.614 32.304 31.700 -0.017 0.000 0.835 227 I N -0.597 119.950 120.570 -0.038 0.000 2.193 227 I HA -0.107 4.063 4.170 -0.000 0.000 0.240 227 I C 0.970 177.037 176.117 -0.084 0.000 1.084 227 I CA 0.630 61.901 61.300 -0.049 0.000 1.365 227 I CB -0.692 37.282 38.000 -0.044 0.000 1.064 227 I HN -0.299 nan 8.210 nan 0.000 0.410 228 V N 3.669 123.532 119.914 -0.085 0.000 2.420 228 V HA -0.056 4.064 4.120 -0.000 0.000 0.274 228 V C 1.334 177.370 176.094 -0.098 0.000 1.003 228 V CA 0.692 62.931 62.300 -0.102 0.000 1.092 228 V CB -0.252 31.523 31.823 -0.080 0.000 1.002 228 V HN 0.341 nan 8.190 nan 0.000 0.473 229 R N 3.540 123.965 120.500 -0.125 0.000 2.290 229 R HA 0.139 4.479 4.340 -0.000 0.000 0.197 229 R C 0.503 176.741 176.300 -0.104 0.000 0.913 229 R CA 0.092 56.130 56.100 -0.102 0.000 1.040 229 R CB 0.318 30.557 30.300 -0.102 0.000 0.992 229 R HN 0.740 nan 8.270 nan 0.000 0.500 230 K N 0.421 120.746 120.400 -0.125 0.000 2.501 230 K HA 0.361 4.681 4.320 -0.000 0.000 0.252 230 K C -1.683 174.841 176.600 -0.127 0.000 0.934 230 K CA -0.900 55.303 56.287 -0.140 0.000 0.797 230 K CB 1.886 34.265 32.500 -0.202 0.000 1.270 230 K HN -0.121 nan 8.250 nan 0.000 0.431 231 L N 1.791 122.950 121.223 -0.108 0.000 2.362 231 L HA 0.598 4.938 4.340 -0.000 0.000 0.275 231 L C -1.329 175.516 176.870 -0.041 0.000 0.998 231 L CA -0.021 54.785 54.840 -0.058 0.000 0.820 231 L CB 2.255 44.295 42.059 -0.031 0.000 1.270 231 L HN 0.797 nan 8.230 nan 0.000 0.415 232 S N 4.851 120.555 115.700 0.006 0.000 2.530 232 S HA 0.630 5.100 4.470 -0.000 0.000 0.322 232 S C -1.314 173.367 174.600 0.136 0.000 1.085 232 S CA -0.397 57.829 58.200 0.044 0.000 1.096 232 S CB 0.182 63.412 63.200 0.050 0.000 0.988 232 S HN 0.483 nan 8.310 nan 0.000 0.466 233 F N 4.465 124.412 119.950 -0.005 0.000 2.477 233 F HA 0.597 5.124 4.527 -0.000 0.000 0.335 233 F C -0.330 175.480 175.800 0.018 0.000 1.130 233 F CA -0.225 57.779 58.000 0.006 0.000 0.948 233 F CB 1.656 40.660 39.000 0.006 0.000 1.154 233 F HN 0.411 nan 8.300 nan 0.000 0.439 234 T N 4.781 118.864 114.554 -0.785 0.000 2.823 234 T HA 0.838 5.188 4.350 -0.000 0.000 0.279 234 T C 0.150 174.084 174.700 -1.277 0.000 0.998 234 T CA -0.077 61.545 62.100 -0.797 0.000 0.994 234 T CB 1.407 70.053 68.868 -0.371 0.000 0.960 234 T HN 1.067 nan 8.240 nan 0.000 0.448 235 G N 1.850 110.132 108.800 -0.862 0.000 2.591 235 G HA2 0.439 4.399 3.960 -0.000 0.000 0.104 235 G HA3 0.439 4.399 3.960 -0.000 0.000 0.104 235 G C -0.865 174.058 174.900 0.040 0.000 1.097 235 G CA -0.075 44.781 45.100 -0.407 0.000 1.076 235 G HN 1.093 nan 8.290 nan 0.000 0.485 236 S N -1.028 114.873 115.700 0.335 0.000 2.638 236 S HA 0.661 5.131 4.470 -0.000 0.000 0.302 236 S C 1.048 175.871 174.600 0.373 0.000 1.096 236 S CA 0.803 59.201 58.200 0.330 0.000 0.953 236 S CB 1.649 65.032 63.200 0.306 0.000 1.107 236 S HN 0.779 nan 8.310 nan 0.000 0.503 237 T N 1.921 116.664 114.554 0.314 0.000 2.635 237 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 237 T C 2.168 176.980 174.700 0.187 0.000 1.040 237 T CA 2.144 64.420 62.100 0.293 0.000 1.156 237 T CB -1.027 68.095 68.868 0.422 0.000 0.863 237 T HN 0.896 nan 8.240 nan 0.000 0.430 238 A N 0.810 123.734 122.820 0.173 0.000 1.940 238 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 238 A C 2.562 180.173 177.584 0.045 0.000 1.176 238 A CA 1.604 53.703 52.037 0.102 0.000 0.631 238 A CB -0.883 18.183 19.000 0.109 0.000 0.814 238 A HN 0.408 nan 8.150 nan 0.000 0.446 239 V N -0.352 119.603 119.914 0.067 0.000 2.453 239 V HA -0.083 4.037 4.120 -0.000 0.000 0.247 239 V C 2.756 178.631 176.094 -0.365 0.000 1.048 239 V CA 1.587 63.850 62.300 -0.063 0.000 1.049 239 V CB -1.538 30.357 31.823 0.120 0.000 0.672 239 V HN 0.564 nan 8.190 nan 0.000 0.457 240 G N 0.248 108.903 108.800 -0.242 0.000 2.421 240 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.216 240 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.216 240 G C 1.752 176.548 174.900 -0.174 0.000 1.171 240 G CA 0.703 45.629 45.100 -0.291 0.000 0.775 240 G HN 0.415 nan 8.290 nan 0.000 0.543 241 R N -0.109 120.349 120.500 -0.070 0.000 2.103 241 R HA -0.091 4.249 4.340 -0.000 0.000 0.242 241 R C 2.869 179.121 176.300 -0.081 0.000 1.142 241 R CA 1.794 57.862 56.100 -0.053 0.000 0.960 241 R CB -0.866 29.424 30.300 -0.017 0.000 0.858 241 R HN 0.392 nan 8.270 nan 0.000 0.439 242 L N 0.131 121.293 121.223 -0.102 0.000 2.395 242 L HA 0.112 4.452 4.340 -0.000 0.000 0.218 242 L C 2.186 178.974 176.870 -0.137 0.000 1.130 242 L CA 1.460 56.240 54.840 -0.100 0.000 0.826 242 L CB -0.897 41.113 42.059 -0.082 0.000 0.941 242 L HN 0.169 nan 8.230 nan 0.000 0.451 243 L N -1.701 119.393 121.223 -0.215 0.000 2.253 243 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 243 L C 2.632 179.412 176.870 -0.151 0.000 1.078 243 L CA 1.140 55.844 54.840 -0.227 0.000 0.805 243 L CB -0.050 41.764 42.059 -0.408 0.000 0.963 243 L HN 0.598 nan 8.230 nan 0.000 0.459 244 M N -0.043 119.478 119.600 -0.131 0.000 2.229 244 M HA -0.149 4.331 4.480 -0.000 0.000 0.264 244 M C 2.195 178.456 176.300 -0.066 0.000 1.063 244 M CA 1.791 57.043 55.300 -0.081 0.000 1.114 244 M CB -0.008 32.555 32.600 -0.061 0.000 1.387 244 M HN 0.226 nan 8.290 nan 0.000 0.420 245 A N -0.251 122.528 122.820 -0.069 0.000 2.015 245 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 245 A C 1.857 179.410 177.584 -0.052 0.000 1.163 245 A CA 1.389 53.394 52.037 -0.054 0.000 0.646 245 A CB -0.480 18.490 19.000 -0.050 0.000 0.806 245 A HN 0.705 nan 8.150 nan 0.000 0.448 246 Q N -0.685 119.077 119.800 -0.063 0.000 2.392 246 Q HA 0.092 4.432 4.340 -0.000 0.000 0.203 246 Q C 1.503 177.472 176.000 -0.052 0.000 0.917 246 Q CA 0.743 56.512 55.803 -0.056 0.000 0.939 246 Q CB 0.345 29.045 28.738 -0.064 0.000 1.063 246 Q HN 0.613 nan 8.270 nan 0.000 0.516 247 S N 0.064 115.732 115.700 -0.054 0.000 2.503 247 S HA 0.116 4.586 4.470 -0.000 0.000 0.215 247 S C 1.857 176.433 174.600 -0.041 0.000 1.003 247 S CA 0.388 58.559 58.200 -0.049 0.000 0.910 247 S CB 0.333 63.501 63.200 -0.053 0.000 0.790 247 S HN 0.408 nan 8.310 nan 0.000 0.514 248 A N 2.910 125.707 122.820 -0.038 0.000 1.908 248 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 248 A C -0.131 177.437 177.584 -0.027 0.000 1.181 248 A CA 1.409 53.426 52.037 -0.032 0.000 0.627 248 A CB -1.876 17.106 19.000 -0.030 0.000 0.818 248 A HN 0.369 nan 8.150 nan 0.000 0.445 249 P HA -0.126 nan 4.420 nan 0.000 0.218 249 P C 1.334 178.621 177.300 -0.022 0.000 1.146 249 P CA 1.998 65.084 63.100 -0.023 0.000 0.813 249 P CB -0.140 31.546 31.700 -0.023 0.000 0.778 250 T N -6.386 108.153 114.554 -0.026 0.000 3.044 250 T HA 0.169 4.519 4.350 -0.000 0.000 0.260 250 T C 0.546 175.230 174.700 -0.027 0.000 1.019 250 T CA -0.152 61.933 62.100 -0.026 0.000 0.921 250 T CB -0.591 68.259 68.868 -0.030 0.000 1.053 250 T HN -0.170 nan 8.240 nan 0.000 0.533 251 V N 1.662 121.560 119.914 -0.028 0.000 6.078 251 V HA -0.207 3.913 4.120 -0.000 0.000 0.301 251 V C 0.219 176.293 176.094 -0.032 0.000 0.571 251 V CA 0.770 63.054 62.300 -0.027 0.000 0.625 251 V CB -2.165 29.646 31.823 -0.019 0.000 0.271 251 V HN 0.667 nan 8.190 nan 0.000 0.788 252 K N 0.381 120.756 120.400 -0.040 0.000 2.202 252 K HA 0.456 4.776 4.320 -0.000 0.000 0.264 252 K C 0.320 176.888 176.600 -0.053 0.000 1.010 252 K CA -0.925 55.331 56.287 -0.051 0.000 0.940 252 K CB 0.724 33.189 32.500 -0.058 0.000 0.983 252 K HN 0.169 nan 8.250 nan 0.000 0.475 253 K N 1.895 122.254 120.400 -0.067 0.000 2.401 253 K HA 0.087 4.407 4.320 -0.000 0.000 0.278 253 K C -0.997 175.550 176.600 -0.088 0.000 1.018 253 K CA -0.047 56.194 56.287 -0.076 0.000 0.981 253 K CB 0.225 32.667 32.500 -0.097 0.000 0.933 253 K HN 0.257 nan 8.250 nan 0.000 0.477 254 L N 4.353 125.535 121.223 -0.067 0.000 2.462 254 L HA 0.265 4.605 4.340 -0.000 0.000 0.255 254 L C -0.807 176.047 176.870 -0.027 0.000 1.076 254 L CA 0.017 54.830 54.840 -0.046 0.000 0.920 254 L CB 1.092 43.134 42.059 -0.028 0.000 1.214 254 L HN 0.622 nan 8.230 nan 0.000 0.472 255 T N 4.309 118.836 114.554 -0.045 0.000 2.769 255 T HA 0.397 4.747 4.350 -0.000 0.000 0.293 255 T C 0.239 174.978 174.700 0.066 0.000 0.931 255 T CA 0.329 62.427 62.100 -0.004 0.000 1.139 255 T CB -0.024 68.824 68.868 -0.033 0.000 0.881 255 T HN 0.223 nan 8.240 nan 0.000 0.532 256 L N 4.224 125.498 121.223 0.086 0.000 2.401 256 L HA 0.336 4.676 4.340 -0.000 0.000 0.263 256 L C 0.183 177.129 176.870 0.127 0.000 1.004 256 L CA -0.673 54.260 54.840 0.154 0.000 0.881 256 L CB 1.184 43.336 42.059 0.154 0.000 1.219 256 L HN 0.469 nan 8.230 nan 0.000 0.441 257 E N 5.287 125.543 120.200 0.093 0.000 2.089 257 E HA 0.488 4.838 4.350 -0.000 0.000 0.284 257 E C -0.440 176.191 176.600 0.051 0.000 1.023 257 E CA -0.095 56.349 56.400 0.073 0.000 0.819 257 E CB 1.921 31.646 29.700 0.041 0.000 1.076 257 E HN 0.494 nan 8.360 nan 0.000 0.396 258 L N 0.214 121.507 121.223 0.117 0.000 2.305 258 L HA 0.619 4.959 4.340 -0.000 0.000 0.261 258 L C 0.965 177.921 176.870 0.143 0.000 1.100 258 L CA -1.474 53.464 54.840 0.163 0.000 1.073 258 L CB 0.435 42.639 42.059 0.242 0.000 1.656 258 L HN 0.399 nan 8.230 nan 0.000 0.536 259 G N -0.914 107.986 108.800 0.167 0.000 2.432 259 G HA2 0.488 4.448 3.960 -0.000 0.000 0.257 259 G HA3 0.488 4.448 3.960 -0.000 0.000 0.257 259 G C -0.205 174.677 174.900 -0.031 0.000 1.238 259 G CA 0.234 45.348 45.100 0.023 0.000 0.838 259 G HN 0.714 nan 8.290 nan 0.000 0.547 260 G N -0.386 108.331 108.800 -0.137 0.000 2.828 260 G HA2 0.447 4.407 3.960 -0.000 0.000 0.244 260 G HA3 0.447 4.407 3.960 -0.000 0.000 0.244 260 G C -0.288 174.472 174.900 -0.233 0.000 1.365 260 G CA -0.577 44.483 45.100 -0.067 0.000 1.041 260 G HN 0.666 nan 8.290 nan 0.000 0.560 261 N N -1.021 117.672 118.700 -0.011 0.000 2.635 261 N HA 0.302 5.042 4.740 -0.000 0.000 0.252 261 N C -0.151 175.388 175.510 0.048 0.000 1.589 261 N CA -0.204 52.840 53.050 -0.010 0.000 0.828 261 N CB 0.463 39.013 38.487 0.105 0.000 1.403 261 N HN 0.665 nan 8.380 nan 0.000 0.518 262 A N 2.071 124.872 122.820 -0.031 0.000 2.505 262 A HA 0.317 4.637 4.320 -0.000 0.000 0.271 262 A C -2.192 175.352 177.584 -0.067 0.000 1.112 262 A CA -0.402 51.570 52.037 -0.108 0.000 0.781 262 A CB -0.303 18.668 19.000 -0.049 0.000 1.059 262 A HN 0.318 nan 8.150 nan 0.000 0.508 263 P HA 0.296 nan 4.420 nan 0.000 0.293 263 P C -0.995 176.293 177.300 -0.019 0.000 1.300 263 P CA -0.162 62.911 63.100 -0.044 0.000 0.792 263 P CB 0.700 32.193 31.700 -0.344 0.000 0.925 264 F N 4.573 124.499 119.950 -0.041 0.000 2.334 264 F HA 0.403 4.930 4.527 -0.000 0.000 0.367 264 F C -0.279 175.526 175.800 0.008 0.000 1.115 264 F CA -0.864 57.066 58.000 -0.115 0.000 1.116 264 F CB 0.464 39.097 39.000 -0.612 0.000 1.230 264 F HN 0.104 nan 8.300 nan 0.000 0.484 265 I N 7.097 127.598 120.570 -0.115 0.000 2.307 265 I HA 0.204 4.374 4.170 -0.000 0.000 0.287 265 I C -0.611 175.505 176.117 -0.002 0.000 1.054 265 I CA -0.385 60.885 61.300 -0.050 0.000 1.218 265 I CB 0.950 38.811 38.000 -0.233 0.000 1.398 265 I HN 0.175 nan 8.210 nan 0.000 0.475 266 V N 6.913 126.895 119.914 0.113 0.000 2.432 266 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 266 V C 0.171 176.340 176.094 0.126 0.000 1.043 266 V CA -0.320 62.019 62.300 0.066 0.000 0.925 266 V CB 0.629 32.309 31.823 -0.240 0.000 0.985 266 V HN 0.350 nan 8.190 nan 0.000 0.466 267 F N 2.005 122.061 119.950 0.177 0.000 2.403 267 F HA 0.312 4.839 4.527 -0.000 0.000 0.326 267 F C 1.515 177.332 175.800 0.029 0.000 1.099 267 F CA -0.299 57.805 58.000 0.173 0.000 1.036 267 F CB 0.941 39.995 39.000 0.090 0.000 1.336 267 F HN 0.567 nan 8.300 nan 0.000 0.497 268 D N 0.083 120.578 120.400 0.158 0.000 2.123 268 D HA -0.196 4.444 4.640 -0.000 0.000 0.196 268 D C 1.228 177.586 176.300 0.095 0.000 0.992 268 D CA 1.854 55.849 54.000 -0.008 0.000 0.833 268 D CB -0.102 40.572 40.800 -0.208 0.000 0.954 268 D HN 0.537 nan 8.370 nan 0.000 0.455 269 D N -0.620 119.844 120.400 0.107 0.000 2.388 269 D HA 0.179 4.819 4.640 -0.000 0.000 0.221 269 D C 0.471 176.836 176.300 0.108 0.000 1.133 269 D CA -0.236 53.815 54.000 0.085 0.000 0.831 269 D CB -0.323 40.502 40.800 0.042 0.000 0.962 269 D HN 0.186 nan 8.370 nan 0.000 0.502 270 A N 0.508 123.422 122.820 0.155 0.000 2.387 270 A HA 0.145 4.465 4.320 -0.000 0.000 0.251 270 A C 0.245 177.926 177.584 0.163 0.000 1.113 270 A CA -0.140 52.010 52.037 0.189 0.000 0.794 270 A CB 0.186 19.332 19.000 0.245 0.000 1.069 270 A HN 0.163 nan 8.150 nan 0.000 0.506 271 D N 0.886 121.406 120.400 0.200 0.000 2.396 271 D HA 0.261 4.901 4.640 -0.000 0.000 0.225 271 D C 1.584 177.976 176.300 0.154 0.000 1.121 271 D CA -0.556 53.543 54.000 0.164 0.000 0.853 271 D CB 0.475 41.373 40.800 0.163 0.000 1.043 271 D HN 0.313 nan 8.370 nan 0.000 0.500 272 L N 2.978 124.283 121.223 0.137 0.000 1.976 272 L HA -0.211 4.129 4.340 -0.000 0.000 0.223 272 L C 1.381 178.349 176.870 0.164 0.000 1.081 272 L CA 1.651 56.591 54.840 0.166 0.000 0.784 272 L CB -1.538 40.613 42.059 0.155 0.000 0.896 272 L HN 0.344 nan 8.230 nan 0.000 0.438 273 D N 0.555 121.027 120.400 0.119 0.000 2.149 273 D HA -0.101 4.539 4.640 -0.000 0.000 0.198 273 D C 2.293 178.650 176.300 0.096 0.000 0.990 273 D CA 1.750 55.805 54.000 0.092 0.000 0.839 273 D CB 0.126 40.969 40.800 0.072 0.000 0.948 273 D HN 0.476 nan 8.370 nan 0.000 0.460 274 A N 0.975 123.867 122.820 0.120 0.000 1.897 274 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 274 A C 2.337 179.960 177.584 0.066 0.000 1.181 274 A CA 1.908 54.038 52.037 0.156 0.000 0.620 274 A CB -0.641 18.507 19.000 0.247 0.000 0.821 274 A HN 0.218 nan 8.150 nan 0.000 0.443 275 A N -0.340 122.420 122.820 -0.099 0.000 1.940 275 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 275 A C 2.212 179.797 177.584 0.002 0.000 1.176 275 A CA 1.939 53.676 52.037 -0.500 0.000 0.631 275 A CB -0.914 17.891 19.000 -0.326 0.000 0.814 275 A HN 0.417 nan 8.150 nan 0.000 0.446 276 V N -0.053 119.971 119.914 0.183 0.000 2.307 276 V HA -0.182 3.938 4.120 -0.000 0.000 0.245 276 V C 3.048 179.163 176.094 0.036 0.000 1.045 276 V CA 2.519 64.882 62.300 0.106 0.000 1.024 276 V CB -1.601 30.208 31.823 -0.023 0.000 0.651 276 V HN 0.758 nan 8.190 nan 0.000 0.449 277 E N 0.783 121.011 120.200 0.048 0.000 2.171 277 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 277 E C 2.281 178.926 176.600 0.075 0.000 0.997 277 E CA 1.818 58.253 56.400 0.058 0.000 0.810 277 E CB -1.364 28.381 29.700 0.075 0.000 0.738 277 E HN 0.690 nan 8.360 nan 0.000 0.467 278 G N 0.183 109.041 108.800 0.098 0.000 2.394 278 G HA2 0.069 4.029 3.960 -0.000 0.000 0.215 278 G HA3 0.069 4.029 3.960 -0.000 0.000 0.215 278 G C 2.064 176.969 174.900 0.009 0.000 1.165 278 G CA 1.865 47.067 45.100 0.170 0.000 0.784 278 G HN 0.934 nan 8.290 nan 0.000 0.535 279 A N 1.260 123.982 122.820 -0.162 0.000 1.873 279 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 279 A C 2.353 179.896 177.584 -0.069 0.000 1.193 279 A CA 1.703 53.551 52.037 -0.316 0.000 0.629 279 A CB -0.396 18.608 19.000 0.007 0.000 0.826 279 A HN 0.290 nan 8.150 nan 0.000 0.447 280 I N -0.269 120.331 120.570 0.050 0.000 2.226 280 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 280 I C 2.959 179.146 176.117 0.117 0.000 1.100 280 I CA 1.491 62.897 61.300 0.178 0.000 1.374 280 I CB -1.674 36.397 38.000 0.117 0.000 1.057 280 I HN 0.389 nan 8.210 nan 0.000 0.413 281 A N 1.294 124.145 122.820 0.051 0.000 1.877 281 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 281 A C 2.584 180.162 177.584 -0.009 0.000 1.186 281 A CA 2.589 54.648 52.037 0.037 0.000 0.620 281 A CB -0.843 18.182 19.000 0.041 0.000 0.822 281 A HN 0.557 nan 8.150 nan 0.000 0.443 282 S N -0.433 115.202 115.700 -0.109 0.000 2.357 282 S HA -0.113 4.357 4.470 -0.000 0.000 0.221 282 S C 1.900 176.422 174.600 -0.130 0.000 1.031 282 S CA 1.587 59.661 58.200 -0.210 0.000 0.982 282 S CB -0.245 62.647 63.200 -0.514 0.000 0.853 282 S HN 0.428 nan 8.310 nan 0.000 0.458 283 K N 0.416 120.701 120.400 -0.191 0.000 2.098 283 K HA 0.178 4.498 4.320 -0.000 0.000 0.203 283 K C 0.804 177.212 176.600 -0.319 0.000 1.051 283 K CA 0.918 57.025 56.287 -0.300 0.000 0.957 283 K CB -0.371 31.844 32.500 -0.474 0.000 0.738 283 K HN 0.501 nan 8.250 nan 0.000 0.447 284 Y N 0.612 120.942 120.300 0.049 0.000 2.555 284 Y HA 0.267 4.817 4.550 -0.000 0.000 0.259 284 Y C -0.226 175.710 175.900 0.062 0.000 1.179 284 Y CA -0.584 57.547 58.100 0.052 0.000 1.230 284 Y CB 0.045 38.520 38.460 0.026 0.000 1.146 284 Y HN -0.044 nan 8.280 nan 0.000 0.526 285 R N -0.052 120.549 120.500 0.168 0.000 2.404 285 R HA 0.318 4.658 4.340 -0.000 0.000 0.291 285 R C 0.459 176.863 176.300 0.174 0.000 1.025 285 R CA -0.286 55.906 56.100 0.153 0.000 0.991 285 R CB 0.396 30.773 30.300 0.128 0.000 1.053 285 R HN 0.101 nan 8.270 nan 0.000 0.479 286 N N 1.624 120.419 118.700 0.159 0.000 2.708 286 N HA -0.305 4.435 4.740 -0.000 0.000 0.251 286 N C -0.756 174.861 175.510 0.178 0.000 1.123 286 N CA 1.412 54.557 53.050 0.158 0.000 0.739 286 N CB -1.079 37.563 38.487 0.257 0.000 1.113 286 N HN 0.979 nan 8.380 nan 0.000 0.561 287 N N -1.120 117.687 118.700 0.180 0.000 2.747 287 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 287 N C 0.639 176.275 175.510 0.209 0.000 1.107 287 N CA 2.290 55.461 53.050 0.202 0.000 0.707 287 N CB -1.590 36.999 38.487 0.170 0.000 1.054 287 N HN 1.463 nan 8.380 nan 0.000 0.555 288 G N -0.890 108.020 108.800 0.183 0.000 2.176 288 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.252 288 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.252 288 G C 0.511 175.557 174.900 0.244 0.000 1.024 288 G CA 0.696 45.885 45.100 0.147 0.000 0.755 288 G HN 0.616 nan 8.290 nan 0.000 0.507 289 Q N -0.486 119.477 119.800 0.272 0.000 2.352 289 Q HA 0.137 4.477 4.340 -0.000 0.000 0.212 289 Q C 1.762 177.893 176.000 0.217 0.000 0.888 289 Q CA 0.642 56.639 55.803 0.323 0.000 0.934 289 Q CB 0.529 29.449 28.738 0.303 0.000 1.093 289 Q HN 0.772 nan 8.270 nan 0.000 0.523 290 T N -2.635 112.042 114.554 0.205 0.000 2.795 290 T HA -0.016 4.334 4.350 -0.000 0.000 0.314 290 T C 1.367 176.161 174.700 0.158 0.000 1.069 290 T CA -0.457 61.713 62.100 0.116 0.000 1.071 290 T CB 1.099 69.998 68.868 0.052 0.000 0.988 290 T HN 0.204 nan 8.240 nan 0.000 0.543 291 C N 1.379 120.737 119.300 0.097 0.000 2.435 291 C HA -0.006 4.454 4.460 -0.000 0.000 0.279 291 C C 2.867 177.912 174.990 0.093 0.000 1.321 291 C CA 0.533 59.629 59.018 0.130 0.000 1.752 291 C CB -1.679 26.139 27.740 0.129 0.000 1.959 291 C HN 0.894 nan 8.230 nan 0.000 0.500 292 V N -2.132 117.849 119.914 0.111 0.000 3.406 292 V HA 0.157 4.277 4.120 -0.000 0.000 0.263 292 V C 1.048 177.243 176.094 0.169 0.000 1.172 292 V CA -0.196 62.160 62.300 0.093 0.000 1.140 292 V CB -1.751 30.153 31.823 0.135 0.000 0.784 292 V HN 0.542 nan 8.190 nan 0.000 0.467 293 C N 2.943 122.327 119.300 0.141 0.000 2.523 293 C HA 0.155 4.615 4.460 -0.000 0.000 0.406 293 C C 1.479 176.539 174.990 0.116 0.000 1.449 293 C CA 0.468 59.563 59.018 0.128 0.000 1.588 293 C CB -1.120 26.677 27.740 0.096 0.000 2.514 293 C HN 0.673 nan 8.230 nan 0.000 0.606 294 T N 4.511 119.153 114.554 0.147 0.000 2.867 294 T HA -0.111 4.239 4.350 -0.000 0.000 0.290 294 T C 1.013 175.728 174.700 0.025 0.000 1.025 294 T CA 0.814 62.964 62.100 0.083 0.000 1.146 294 T CB 0.066 68.855 68.868 -0.132 0.000 1.024 294 T HN 0.848 nan 8.240 nan 0.000 0.519 295 N N 2.321 121.036 118.700 0.026 0.000 2.348 295 N HA 0.109 4.849 4.740 -0.000 0.000 0.183 295 N C 0.028 175.602 175.510 0.108 0.000 1.094 295 N CA 0.088 53.149 53.050 0.018 0.000 0.885 295 N CB 0.561 39.015 38.487 -0.055 0.000 1.065 295 N HN 0.481 nan 8.380 nan 0.000 0.472 296 R N -0.771 119.814 120.500 0.141 0.000 2.668 296 R HA 0.317 4.657 4.340 -0.000 0.000 0.272 296 R C -1.594 174.855 176.300 0.249 0.000 1.019 296 R CA -0.626 55.605 56.100 0.220 0.000 0.894 296 R CB 1.409 31.692 30.300 -0.029 0.000 1.228 296 R HN -0.063 nan 8.270 nan 0.000 0.460 297 F N 1.599 121.645 119.950 0.160 0.000 2.436 297 F HA 0.467 4.994 4.527 -0.000 0.000 0.340 297 F C -0.334 175.541 175.800 0.126 0.000 1.113 297 F CA -0.547 57.594 58.000 0.235 0.000 1.022 297 F CB 1.172 40.298 39.000 0.209 0.000 1.128 297 F HN 0.299 nan 8.300 nan 0.000 0.466 298 F N 3.451 123.618 119.950 0.361 0.000 2.347 298 F HA 0.523 5.050 4.527 -0.000 0.000 0.366 298 F C -0.504 175.551 175.800 0.425 0.000 1.107 298 F CA -0.889 57.320 58.000 0.348 0.000 1.058 298 F CB 1.127 40.174 39.000 0.078 0.000 1.236 298 F HN 0.007 nan 8.300 nan 0.000 0.456 299 V N 1.872 122.118 119.914 0.554 0.000 2.667 299 V HA 0.316 4.436 4.120 -0.000 0.000 0.308 299 V C -0.301 175.817 176.094 0.038 0.000 1.048 299 V CA -1.047 61.441 62.300 0.312 0.000 0.928 299 V CB 1.681 33.611 31.823 0.178 0.000 1.004 299 V HN 0.588 nan 8.190 nan 0.000 0.444 300 H N 1.352 120.171 119.070 -0.418 0.000 2.629 300 H HA 0.217 4.773 4.556 -0.000 0.000 0.357 300 H C 1.129 176.260 175.328 -0.328 0.000 1.121 300 H CA 0.408 55.889 56.048 -0.945 0.000 1.406 300 H CB 0.971 30.358 29.762 -0.625 0.000 1.456 300 H HN 0.777 nan 8.280 nan 0.000 0.579 301 E N 2.824 122.479 120.200 -0.908 0.000 2.065 301 E HA -0.262 4.088 4.350 -0.000 0.000 0.201 301 E C 1.618 178.067 176.600 -0.251 0.000 1.016 301 E CA 1.346 57.436 56.400 -0.516 0.000 0.818 301 E CB 0.072 29.440 29.700 -0.554 0.000 0.749 301 E HN 0.587 nan 8.360 nan 0.000 0.453 302 R N -0.688 119.667 120.500 -0.242 0.000 2.323 302 R HA -0.024 4.316 4.340 -0.000 0.000 0.198 302 R C 1.349 177.718 176.300 0.115 0.000 0.988 302 R CA 0.812 56.933 56.100 0.034 0.000 1.041 302 R CB 0.441 30.832 30.300 0.152 0.000 0.926 302 R HN 0.158 nan 8.270 nan 0.000 0.476 303 V N -1.270 118.726 119.914 0.136 0.000 3.199 303 V HA 0.037 4.157 4.120 -0.000 0.000 0.331 303 V C 0.905 177.101 176.094 0.169 0.000 1.446 303 V CA -0.320 62.069 62.300 0.148 0.000 1.120 303 V CB -0.343 31.566 31.823 0.144 0.000 1.051 303 V HN 0.022 nan 8.190 nan 0.000 0.495 304 Y N 0.996 121.320 120.300 0.039 0.000 2.114 304 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 304 Y C 2.180 178.141 175.900 0.101 0.000 1.143 304 Y CA 2.915 61.053 58.100 0.063 0.000 1.135 304 Y CB 0.254 38.708 38.460 -0.010 0.000 0.980 304 Y HN 0.513 nan 8.280 nan 0.000 0.499 305 D N -0.218 120.316 120.400 0.223 0.000 2.103 305 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 305 D C 2.287 178.617 176.300 0.050 0.000 0.978 305 D CA 1.452 55.525 54.000 0.121 0.000 0.829 305 D CB -0.732 40.142 40.800 0.123 0.000 0.981 305 D HN 0.428 nan 8.370 nan 0.000 0.464 306 A N 0.353 123.223 122.820 0.082 0.000 1.927 306 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 306 A C 2.100 179.732 177.584 0.080 0.000 1.185 306 A CA 1.392 53.474 52.037 0.075 0.000 0.639 306 A CB -1.079 17.980 19.000 0.098 0.000 0.820 306 A HN 0.298 nan 8.150 nan 0.000 0.451 307 F N 0.661 120.578 119.950 -0.055 0.000 2.146 307 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 307 F C 2.490 178.205 175.800 -0.142 0.000 1.096 307 F CA 1.064 59.015 58.000 -0.082 0.000 1.275 307 F CB -0.479 38.479 39.000 -0.070 0.000 1.008 307 F HN 0.234 nan 8.300 nan 0.000 0.480 308 A N -0.139 122.520 122.820 -0.268 0.000 1.969 308 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 308 A C 1.955 179.370 177.584 -0.280 0.000 1.169 308 A CA 1.697 53.509 52.037 -0.376 0.000 0.635 308 A CB -0.887 17.924 19.000 -0.314 0.000 0.810 308 A HN 0.405 nan 8.150 nan 0.000 0.445 309 D N 0.242 120.538 120.400 -0.174 0.000 2.092 309 D HA -0.146 4.494 4.640 -0.000 0.000 0.193 309 D C 1.839 178.043 176.300 -0.161 0.000 0.994 309 D CA 1.554 55.478 54.000 -0.127 0.000 0.828 309 D CB -0.293 40.468 40.800 -0.066 0.000 0.963 309 D HN 0.485 nan 8.370 nan 0.000 0.450 310 K N -0.120 120.170 120.400 -0.184 0.000 2.217 310 K HA -0.057 4.263 4.320 -0.000 0.000 0.202 310 K C 1.941 178.380 176.600 -0.267 0.000 1.051 310 K CA 0.061 56.240 56.287 -0.180 0.000 0.952 310 K CB 0.019 32.446 32.500 -0.121 0.000 0.736 310 K HN 0.022 nan 8.250 nan 0.000 0.453 311 L N 1.179 122.142 121.223 -0.433 0.000 2.005 311 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 311 L C 2.188 178.887 176.870 -0.285 0.000 1.072 311 L CA 1.825 56.386 54.840 -0.465 0.000 0.744 311 L CB -0.786 40.834 42.059 -0.731 0.000 0.895 311 L HN 0.092 nan 8.230 nan 0.000 0.433 312 A N -0.688 121.983 122.820 -0.248 0.000 1.968 312 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 312 A C 2.156 179.652 177.584 -0.146 0.000 1.169 312 A CA 1.145 53.076 52.037 -0.178 0.000 0.638 312 A CB -0.994 17.917 19.000 -0.147 0.000 0.812 312 A HN 0.503 nan 8.150 nan 0.000 0.446 313 A N -1.276 121.460 122.820 -0.140 0.000 2.258 313 A HA 0.489 4.809 4.320 -0.000 0.000 0.206 313 A C 1.573 179.097 177.584 -0.101 0.000 1.222 313 A CA 1.292 53.266 52.037 -0.106 0.000 0.822 313 A CB -0.572 18.374 19.000 -0.090 0.000 0.804 313 A HN 1.006 nan 8.150 nan 0.000 0.483 314 A N -2.011 120.735 122.820 -0.123 0.000 1.937 314 A HA 0.311 4.631 4.320 -0.000 0.000 0.198 314 A C 1.655 179.163 177.584 -0.127 0.000 1.635 314 A CA 0.830 52.803 52.037 -0.107 0.000 1.111 314 A CB -0.155 18.786 19.000 -0.100 0.000 1.165 314 A HN 0.227 nan 8.150 nan 0.000 0.460 315 V N 2.180 121.991 119.914 -0.173 0.000 2.392 315 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 315 V C 2.916 178.903 176.094 -0.179 0.000 1.059 315 V CA 2.581 64.735 62.300 -0.242 0.000 1.051 315 V CB -0.919 30.724 31.823 -0.301 0.000 0.658 315 V HN 0.794 nan 8.190 nan 0.000 0.455 316 S N 0.977 116.597 115.700 -0.133 0.000 2.407 316 S HA -0.287 4.183 4.470 -0.000 0.000 0.235 316 S C 1.992 176.543 174.600 -0.083 0.000 1.036 316 S CA 1.950 60.093 58.200 -0.097 0.000 1.013 316 S CB -0.666 62.486 63.200 -0.080 0.000 0.820 316 S HN 0.696 nan 8.310 nan 0.000 0.476 317 K N 0.944 121.292 120.400 -0.085 0.000 2.426 317 K HA 0.491 4.811 4.320 -0.000 0.000 0.193 317 K C 0.792 177.349 176.600 -0.072 0.000 1.028 317 K CA 0.388 56.635 56.287 -0.067 0.000 1.047 317 K CB -0.718 31.749 32.500 -0.055 0.000 0.821 317 K HN 0.601 nan 8.250 nan 0.000 0.513 318 L N 2.480 123.641 121.223 -0.102 0.000 2.361 318 L HA 0.280 4.620 4.340 -0.000 0.000 0.278 318 L C 0.730 177.550 176.870 -0.085 0.000 1.113 318 L CA -0.564 54.213 54.840 -0.106 0.000 0.849 318 L CB 0.961 42.913 42.059 -0.177 0.000 1.155 318 L HN 0.398 nan 8.230 nan 0.000 0.452 319 K N 4.467 124.831 120.400 -0.061 0.000 2.262 319 K HA 0.538 4.858 4.320 -0.000 0.000 0.282 319 K C -0.297 176.266 176.600 -0.062 0.000 1.066 319 K CA -0.532 55.722 56.287 -0.056 0.000 0.901 319 K CB 0.619 33.095 32.500 -0.040 0.000 1.089 319 K HN 0.407 nan 8.250 nan 0.000 0.476 320 V N 0.854 120.706 119.914 -0.103 0.000 3.264 320 V HA 0.860 4.980 4.120 -0.000 0.000 0.304 320 V C 1.223 177.229 176.094 -0.146 0.000 1.086 320 V CA 0.387 62.599 62.300 -0.146 0.000 1.090 320 V CB 0.855 32.455 31.823 -0.371 0.000 1.112 320 V HN 1.521 nan 8.190 nan 0.000 0.472 321 G N -0.209 108.529 108.800 -0.103 0.000 2.359 321 G HA2 0.519 4.479 3.960 -0.000 0.000 0.303 321 G HA3 0.519 4.479 3.960 -0.000 0.000 0.303 321 G C -0.540 174.453 174.900 0.154 0.000 1.293 321 G CA -0.299 44.719 45.100 -0.137 0.000 0.964 321 G HN 1.033 nan 8.290 nan 0.000 0.531 322 R N -0.569 119.988 120.500 0.095 0.000 2.774 322 R HA 0.677 5.017 4.340 -0.000 0.000 0.269 322 R C 1.889 178.266 176.300 0.129 0.000 1.068 322 R CA 1.348 57.582 56.100 0.224 0.000 1.180 322 R CB -0.455 29.920 30.300 0.125 0.000 1.077 322 R HN 2.396 nan 8.270 nan 0.000 0.513 323 G N -0.499 108.365 108.800 0.106 0.000 2.414 323 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 323 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 323 G C 1.712 176.631 174.900 0.031 0.000 1.188 323 G CA 1.735 46.868 45.100 0.055 0.000 0.783 323 G HN 1.149 nan 8.290 nan 0.000 0.537 324 T N -1.103 113.465 114.554 0.024 0.000 3.139 324 T HA 0.048 4.398 4.350 -0.000 0.000 0.267 324 T C 0.745 175.448 174.700 0.005 0.000 1.164 324 T CA 0.786 62.892 62.100 0.009 0.000 1.075 324 T CB -0.095 68.774 68.868 0.002 0.000 0.904 324 T HN 0.340 nan 8.240 nan 0.000 0.540 325 E N 1.390 121.596 120.200 0.010 0.000 2.115 325 E HA 0.373 4.723 4.350 -0.000 0.000 0.282 325 E C -0.797 175.803 176.600 -0.001 0.000 0.987 325 E CA -0.354 56.046 56.400 0.000 0.000 0.797 325 E CB 0.900 30.598 29.700 -0.004 0.000 1.086 325 E HN 0.205 nan 8.360 nan 0.000 0.397 326 S N 2.593 118.290 115.700 -0.004 0.000 2.430 326 S HA 0.407 4.877 4.470 -0.000 0.000 0.282 326 S C 0.827 175.423 174.600 -0.007 0.000 1.186 326 S CA 0.431 58.629 58.200 -0.004 0.000 1.060 326 S CB 0.919 64.117 63.200 -0.004 0.000 0.966 326 S HN 0.875 nan 8.310 nan 0.000 0.501 327 G N 2.396 111.193 108.800 -0.005 0.000 2.797 327 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.195 327 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.195 327 G C 0.191 175.085 174.900 -0.009 0.000 1.026 327 G CA -0.332 44.763 45.100 -0.009 0.000 0.759 327 G HN 1.049 nan 8.290 nan 0.000 0.475 328 A N 1.508 124.324 122.820 -0.006 0.000 2.491 328 A HA 0.574 4.894 4.320 -0.000 0.000 0.261 328 A C 1.294 178.884 177.584 0.009 0.000 1.101 328 A CA 1.693 53.729 52.037 -0.002 0.000 0.772 328 A CB 0.036 19.040 19.000 0.007 0.000 1.043 328 A HN 1.432 nan 8.150 nan 0.000 0.501 329 T N 0.218 114.775 114.554 0.006 0.000 3.132 329 T HA 0.483 4.833 4.350 -0.000 0.000 0.274 329 T C -0.045 174.676 174.700 0.034 0.000 1.011 329 T CA 0.010 62.120 62.100 0.018 0.000 0.899 329 T CB -0.577 68.296 68.868 0.008 0.000 1.089 329 T HN 0.400 nan 8.240 nan 0.000 0.543 330 L N 1.576 122.824 121.223 0.041 0.000 2.563 330 L HA 0.588 4.928 4.340 -0.000 0.000 0.259 330 L C 0.803 177.744 176.870 0.117 0.000 1.034 330 L CA -1.033 53.850 54.840 0.071 0.000 0.899 330 L CB 1.318 43.404 42.059 0.045 0.000 1.159 330 L HN 0.322 nan 8.230 nan 0.000 0.456 331 G N 2.494 111.362 108.800 0.113 0.000 2.468 331 G HA2 0.459 4.419 3.960 -0.000 0.000 0.264 331 G HA3 0.459 4.419 3.960 -0.000 0.000 0.264 331 G C -2.463 172.435 174.900 -0.004 0.000 1.460 331 G CA -0.563 44.610 45.100 0.122 0.000 1.060 331 G HN 0.264 nan 8.290 nan 0.000 0.543 332 P HA 0.413 nan 4.420 nan 0.000 0.312 332 P C -0.974 176.222 177.300 -0.174 0.000 1.308 332 P CA -0.518 62.270 63.100 -0.519 0.000 0.743 332 P CB 0.895 32.056 31.700 -0.898 0.000 1.364 333 L N -0.453 120.683 121.223 -0.147 0.000 2.346 333 L HA 0.293 4.633 4.340 -0.000 0.000 0.274 333 L C 1.904 178.674 176.870 -0.166 0.000 1.007 333 L CA -0.491 54.303 54.840 -0.077 0.000 0.818 333 L CB 0.899 42.949 42.059 -0.014 0.000 1.284 333 L HN 0.186 nan 8.230 nan 0.000 0.424 334 I N 2.055 122.460 120.570 -0.275 0.000 2.143 334 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 334 I C 0.821 176.763 176.117 -0.292 0.000 1.068 334 I CA 1.794 62.867 61.300 -0.378 0.000 1.326 334 I CB -0.168 37.314 38.000 -0.863 0.000 1.028 334 I HN 0.987 nan 8.210 nan 0.000 0.412 335 N N -2.338 116.182 118.700 -0.299 0.000 2.831 335 N HA 0.126 4.866 4.740 -0.000 0.000 0.276 335 N C 0.585 176.041 175.510 -0.090 0.000 1.416 335 N CA -0.595 52.354 53.050 -0.167 0.000 0.799 335 N CB 0.260 38.637 38.487 -0.183 0.000 1.554 335 N HN -0.090 nan 8.380 nan 0.000 0.541 336 E N -0.053 120.127 120.200 -0.034 0.000 2.072 336 E HA -0.065 4.285 4.350 -0.000 0.000 0.191 336 E C 1.555 178.160 176.600 0.009 0.000 0.985 336 E CA 1.310 57.716 56.400 0.010 0.000 0.801 336 E CB -0.409 29.306 29.700 0.026 0.000 0.750 336 E HN 0.678 nan 8.360 nan 0.000 0.452 337 A N 1.114 123.925 122.820 -0.015 0.000 2.024 337 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 337 A C 2.379 179.964 177.584 0.003 0.000 1.164 337 A CA 1.893 53.929 52.037 -0.002 0.000 0.643 337 A CB -0.523 18.471 19.000 -0.011 0.000 0.806 337 A HN 0.328 nan 8.150 nan 0.000 0.451 338 A N -0.356 122.440 122.820 -0.039 0.000 1.877 338 A HA -0.019 4.301 4.320 -0.000 0.000 0.216 338 A C 2.172 179.771 177.584 0.026 0.000 1.186 338 A CA 1.876 53.901 52.037 -0.020 0.000 0.620 338 A CB -0.917 18.013 19.000 -0.116 0.000 0.822 338 A HN 0.531 nan 8.150 nan 0.000 0.443 339 V N 0.130 120.070 119.914 0.043 0.000 2.515 339 V HA -0.149 3.971 4.120 -0.000 0.000 0.250 339 V C 3.044 179.207 176.094 0.114 0.000 1.058 339 V CA 2.339 64.707 62.300 0.112 0.000 1.064 339 V CB -1.564 30.369 31.823 0.183 0.000 0.675 339 V HN 0.711 nan 8.190 nan 0.000 0.461 340 K N 1.185 121.635 120.400 0.084 0.000 2.032 340 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 340 K C 2.129 178.768 176.600 0.065 0.000 1.048 340 K CA 2.180 58.515 56.287 0.080 0.000 0.927 340 K CB -0.664 31.871 32.500 0.059 0.000 0.712 340 K HN 0.477 nan 8.250 nan 0.000 0.441 341 K N 0.422 120.852 120.400 0.051 0.000 2.365 341 K HA 0.036 4.356 4.320 -0.000 0.000 0.199 341 K C 1.864 178.466 176.600 0.003 0.000 1.045 341 K CA 1.032 57.346 56.287 0.045 0.000 0.962 341 K CB -0.362 32.183 32.500 0.074 0.000 0.759 341 K HN 0.209 nan 8.250 nan 0.000 0.469 342 V N 0.934 120.815 119.914 -0.056 0.000 2.261 342 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 342 V C 1.907 177.897 176.094 -0.172 0.000 1.047 342 V CA 2.125 64.284 62.300 -0.236 0.000 1.015 342 V CB -0.493 30.966 31.823 -0.608 0.000 0.642 342 V HN 0.386 nan 8.190 nan 0.000 0.446 343 E N 0.148 120.349 120.200 0.001 0.000 2.058 343 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 343 E C 2.426 179.070 176.600 0.075 0.000 0.997 343 E CA 1.660 58.143 56.400 0.139 0.000 0.801 343 E CB -0.351 29.471 29.700 0.203 0.000 0.746 343 E HN 0.485 nan 8.360 nan 0.000 0.450 344 S N -0.624 115.108 115.700 0.053 0.000 2.359 344 S HA -0.331 4.139 4.470 -0.000 0.000 0.222 344 S C 2.251 176.871 174.600 0.034 0.000 1.038 344 S CA 2.034 60.261 58.200 0.045 0.000 1.051 344 S CB -0.649 62.577 63.200 0.044 0.000 0.944 344 S HN 0.674 nan 8.310 nan 0.000 0.433 345 H N 0.384 119.466 119.070 0.020 0.000 2.387 345 H HA 0.073 4.629 4.556 -0.000 0.000 0.299 345 H C 2.088 177.425 175.328 0.015 0.000 1.099 345 H CA 1.706 57.763 56.048 0.016 0.000 1.315 345 H CB -0.811 28.954 29.762 0.005 0.000 1.380 345 H HN 0.665 nan 8.280 nan 0.000 0.513 346 I N 0.492 121.073 120.570 0.018 0.000 2.439 346 I HA -0.056 4.114 4.170 -0.000 0.000 0.251 346 I C 3.153 179.294 176.117 0.039 0.000 1.139 346 I CA 0.864 62.184 61.300 0.034 0.000 1.438 346 I CB -0.289 37.754 38.000 0.072 0.000 1.085 346 I HN 0.562 nan 8.210 nan 0.000 0.427 347 A N 0.366 123.213 122.820 0.045 0.000 1.902 347 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 347 A C 2.186 179.787 177.584 0.028 0.000 1.181 347 A CA 1.955 54.016 52.037 0.041 0.000 0.623 347 A CB -0.620 18.408 19.000 0.046 0.000 0.818 347 A HN 0.437 nan 8.150 nan 0.000 0.443 348 D N -0.490 119.926 120.400 0.026 0.000 2.312 348 D HA 0.089 4.729 4.640 -0.000 0.000 0.211 348 D C 1.904 178.209 176.300 0.009 0.000 0.964 348 D CA 0.894 54.907 54.000 0.020 0.000 0.877 348 D CB 0.109 40.925 40.800 0.027 0.000 0.924 348 D HN 0.378 nan 8.370 nan 0.000 0.515 349 A N 0.681 123.504 122.820 0.004 0.000 1.861 349 A HA -0.055 4.265 4.320 -0.000 0.000 0.212 349 A C 2.042 179.616 177.584 -0.017 0.000 1.199 349 A CA 0.386 52.413 52.037 -0.016 0.000 0.613 349 A CB -0.465 18.523 19.000 -0.020 0.000 0.846 349 A HN 0.193 nan 8.150 nan 0.000 0.446 350 L N -0.077 121.145 121.223 -0.002 0.000 2.127 350 L HA -0.126 4.214 4.340 -0.000 0.000 0.211 350 L C 2.777 179.646 176.870 -0.002 0.000 1.089 350 L CA 1.880 56.719 54.840 -0.001 0.000 0.757 350 L CB -1.595 40.470 42.059 0.010 0.000 0.899 350 L HN 0.448 nan 8.230 nan 0.000 0.434 351 A N -1.318 121.503 122.820 0.002 0.000 2.168 351 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 351 A C 1.976 179.560 177.584 -0.000 0.000 1.152 351 A CA 0.914 52.953 52.037 0.004 0.000 0.716 351 A CB -0.197 18.809 19.000 0.010 0.000 0.794 351 A HN 0.380 nan 8.150 nan 0.000 0.465 352 K N -2.145 118.250 120.400 -0.008 0.000 2.501 352 K HA 0.331 4.651 4.320 -0.000 0.000 0.204 352 K C 0.797 177.383 176.600 -0.024 0.000 1.067 352 K CA 0.478 56.758 56.287 -0.012 0.000 1.060 352 K CB 0.818 33.313 32.500 -0.008 0.000 0.873 352 K HN 0.446 nan 8.250 nan 0.000 0.540 353 G N 0.810 109.594 108.800 -0.027 0.000 2.705 353 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.193 353 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.193 353 G C 0.133 175.009 174.900 -0.040 0.000 1.015 353 G CA -0.252 44.827 45.100 -0.034 0.000 0.743 353 G HN 0.321 nan 8.290 nan 0.000 0.476 354 A N 0.824 123.615 122.820 -0.049 0.000 2.498 354 A HA 0.704 5.024 4.320 -0.000 0.000 0.239 354 A C 0.813 178.379 177.584 -0.030 0.000 1.068 354 A CA 1.285 53.291 52.037 -0.052 0.000 0.766 354 A CB 0.392 19.351 19.000 -0.068 0.000 1.003 354 A HN 0.930 nan 8.150 nan 0.000 0.497 355 S N -0.977 114.708 115.700 -0.025 0.000 2.738 355 S HA 0.736 5.205 4.470 -0.000 0.000 0.284 355 S C 0.497 175.090 174.600 -0.012 0.000 1.146 355 S CA 0.078 58.270 58.200 -0.014 0.000 0.997 355 S CB 1.140 64.334 63.200 -0.010 0.000 1.081 355 S HN 1.402 nan 8.310 nan 0.000 0.553 356 L N 0.614 121.833 121.223 -0.006 0.000 2.335 356 L HA 0.840 5.180 4.340 -0.000 0.000 0.268 356 L C 0.458 177.320 176.870 -0.014 0.000 1.016 356 L CA -0.668 54.170 54.840 -0.003 0.000 0.805 356 L CB 0.308 42.373 42.059 0.009 0.000 1.311 356 L HN 0.973 nan 8.230 nan 0.000 0.456 357 M N -1.162 118.426 119.600 -0.020 0.000 1.920 357 M HA 0.298 4.778 4.480 -0.000 0.000 0.321 357 M C 0.170 176.449 176.300 -0.036 0.000 0.935 357 M CA 1.104 56.384 55.300 -0.034 0.000 1.128 357 M CB 1.326 33.893 32.600 -0.055 0.000 2.120 357 M HN 0.960 nan 8.290 nan 0.000 0.734 358 T N -1.262 113.278 114.554 -0.025 0.000 2.749 358 T HA 0.595 4.945 4.350 -0.000 0.000 0.310 358 T C 0.037 174.748 174.700 0.019 0.000 1.496 358 T CA 0.747 62.836 62.100 -0.018 0.000 1.006 358 T CB 1.443 70.284 68.868 -0.045 0.000 1.457 358 T HN 0.673 nan 8.240 nan 0.000 0.497 359 G N 1.055 109.874 108.800 0.031 0.000 3.692 359 G HA2 0.328 4.288 3.960 -0.000 0.000 0.265 359 G HA3 0.328 4.288 3.960 -0.000 0.000 0.265 359 G C 1.492 176.428 174.900 0.060 0.000 1.733 359 G CA 1.154 46.306 45.100 0.086 0.000 1.144 359 G HN 2.598 nan 8.290 nan 0.000 0.602 360 G N -0.957 107.897 108.800 0.090 0.000 2.848 360 G HA2 0.436 4.396 3.960 -0.000 0.000 0.246 360 G HA3 0.436 4.396 3.960 -0.000 0.000 0.246 360 G C 0.708 175.625 174.900 0.029 0.000 1.374 360 G CA 2.205 47.330 45.100 0.042 0.000 0.982 360 G HN 2.432 nan 8.290 nan 0.000 0.563 361 K N 0.211 120.514 120.400 -0.163 0.000 2.400 361 K HA 0.890 5.210 4.320 -0.000 0.000 0.249 361 K C 0.765 176.807 176.600 -0.929 0.000 1.069 361 K CA 0.409 56.462 56.287 -0.390 0.000 0.965 361 K CB -0.035 32.358 32.500 -0.178 0.000 1.365 361 K HN 1.114 nan 8.250 nan 0.000 0.539 362 R N 1.339 121.340 120.500 -0.831 0.000 2.697 362 R HA 0.045 4.385 4.340 -0.000 0.000 0.265 362 R C 0.491 176.611 176.300 -0.301 0.000 1.009 362 R CA -0.302 55.423 56.100 -0.624 0.000 1.099 362 R CB -0.043 30.135 30.300 -0.203 0.000 0.965 362 R HN 0.728 nan 8.270 nan 0.000 0.428 363 H N 1.102 120.054 119.070 -0.196 0.000 2.607 363 H HA 0.064 4.620 4.556 -0.000 0.000 0.367 363 H C 0.950 176.244 175.328 -0.057 0.000 1.181 363 H CA 0.419 56.416 56.048 -0.085 0.000 1.402 363 H CB 1.280 31.056 29.762 0.024 0.000 1.474 363 H HN 0.711 nan 8.280 nan 0.000 0.596 364 A N 4.037 126.394 122.820 -0.772 0.000 1.927 364 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 364 A C 2.746 180.234 177.584 -0.160 0.000 1.185 364 A CA 2.416 54.185 52.037 -0.448 0.000 0.639 364 A CB -1.359 17.317 19.000 -0.540 0.000 0.820 364 A HN 0.671 nan 8.150 nan 0.000 0.451 365 L N -1.520 119.699 121.223 -0.007 0.000 2.622 365 L HA 0.423 4.763 4.340 -0.000 0.000 0.233 365 L C 1.946 178.941 176.870 0.208 0.000 1.156 365 L CA 1.413 56.248 54.840 -0.009 0.000 0.866 365 L CB -2.304 39.514 42.059 -0.402 0.000 0.980 365 L HN 1.720 nan 8.230 nan 0.000 0.448 366 G N -1.648 107.276 108.800 0.207 0.000 2.574 366 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.286 366 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.286 366 G C 0.550 175.662 174.900 0.353 0.000 1.212 366 G CA 1.135 46.333 45.100 0.164 0.000 0.979 366 G HN 1.514 nan 8.290 nan 0.000 0.557 367 H N -1.917 117.274 119.070 0.202 0.000 1.452 367 H HA -0.281 4.275 4.556 -0.000 0.000 0.090 367 H C 2.199 177.566 175.328 0.066 0.000 1.026 367 H CA 3.233 59.359 56.048 0.131 0.000 1.901 367 H CB -1.250 28.594 29.762 0.137 0.000 2.257 367 H HN 1.553 nan 8.280 nan 0.000 0.961 368 G N -0.195 108.647 108.800 0.070 0.000 2.838 368 G HA2 0.148 4.108 3.960 -0.000 0.000 0.210 368 G HA3 0.148 4.108 3.960 -0.000 0.000 0.210 368 G C -0.293 174.591 174.900 -0.027 0.000 1.153 368 G CA 0.046 45.109 45.100 -0.061 0.000 0.778 368 G HN 0.227 nan 8.290 nan 0.000 0.539 369 F N 0.792 120.847 119.950 0.175 0.000 2.557 369 F HA 0.410 4.937 4.527 -0.000 0.000 0.384 369 F C 0.078 176.008 175.800 0.217 0.000 1.057 369 F CA -0.569 57.526 58.000 0.158 0.000 1.169 369 F CB 0.128 39.203 39.000 0.125 0.000 1.070 369 F HN -0.050 nan 8.300 nan 0.000 0.554 370 F N 2.369 122.456 119.950 0.228 0.000 2.579 370 F HA 0.424 4.951 4.527 -0.000 0.000 0.324 370 F C -0.142 175.756 175.800 0.164 0.000 1.058 370 F CA -0.980 57.132 58.000 0.187 0.000 0.944 370 F CB 1.345 40.424 39.000 0.132 0.000 1.245 370 F HN 0.372 nan 8.300 nan 0.000 0.477 371 E N 4.879 125.246 120.200 0.278 0.000 2.227 371 E HA 0.236 4.586 4.350 -0.000 0.000 0.282 371 E C -2.375 174.435 176.600 0.351 0.000 1.015 371 E CA -1.994 54.553 56.400 0.244 0.000 0.823 371 E CB 0.651 30.410 29.700 0.099 0.000 1.081 371 E HN 0.198 nan 8.360 nan 0.000 0.396 372 P HA -0.058 nan 4.420 nan 0.000 0.261 372 P C -0.794 176.562 177.300 0.094 0.000 1.183 372 P CA 0.284 63.435 63.100 0.084 0.000 0.761 372 P CB 0.411 31.995 31.700 -0.194 0.000 0.785 373 T N 2.378 117.041 114.554 0.181 0.000 2.841 373 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 373 T C -0.067 174.689 174.700 0.093 0.000 1.000 373 T CA -0.578 61.603 62.100 0.135 0.000 0.977 373 T CB 1.490 70.448 68.868 0.151 0.000 0.979 373 T HN 0.068 nan 8.240 nan 0.000 0.446 374 V N 3.465 123.383 119.914 0.008 0.000 2.769 374 V HA 0.638 4.758 4.120 -0.000 0.000 0.312 374 V C -0.885 175.171 176.094 -0.062 0.000 1.061 374 V CA -0.997 61.260 62.300 -0.072 0.000 0.931 374 V CB 1.915 33.657 31.823 -0.136 0.000 1.010 374 V HN 0.748 nan 8.190 nan 0.000 0.433 375 L N 2.716 123.886 121.223 -0.088 0.000 2.457 375 L HA 0.444 4.784 4.340 -0.000 0.000 0.266 375 L C -0.017 176.819 176.870 -0.057 0.000 0.979 375 L CA -0.442 54.362 54.840 -0.061 0.000 0.857 375 L CB 1.999 44.026 42.059 -0.053 0.000 1.213 375 L HN 0.615 nan 8.230 nan 0.000 0.418 376 T N 0.501 115.041 114.554 -0.024 0.000 2.930 376 T HA 0.399 4.749 4.350 -0.000 0.000 0.306 376 T C 0.890 175.624 174.700 0.057 0.000 1.045 376 T CA 0.297 62.431 62.100 0.058 0.000 1.134 376 T CB 1.079 69.992 68.868 0.076 0.000 0.961 376 T HN 0.958 nan 8.240 nan 0.000 0.545 377 G N 1.447 110.331 108.800 0.140 0.000 2.487 377 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.243 377 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.243 377 G C -0.420 174.412 174.900 -0.114 0.000 0.918 377 G CA -0.586 44.506 45.100 -0.014 0.000 1.260 377 G HN 0.882 nan 8.290 nan 0.000 0.408 378 V N 2.239 122.017 119.914 -0.226 0.000 2.409 378 V HA 0.853 4.973 4.120 -0.000 0.000 0.291 378 V C 0.736 176.483 176.094 -0.578 0.000 1.020 378 V CA -0.204 61.800 62.300 -0.493 0.000 0.848 378 V CB 1.177 32.503 31.823 -0.828 0.000 0.990 378 V HN 1.153 nan 8.190 nan 0.000 0.430 379 K N 5.402 125.598 120.400 -0.341 0.000 2.154 379 K HA 0.487 4.807 4.320 -0.000 0.000 0.264 379 K C -1.924 174.660 176.600 -0.026 0.000 1.008 379 K CA -1.467 54.737 56.287 -0.139 0.000 0.937 379 K CB -0.252 32.215 32.500 -0.054 0.000 1.002 379 K HN 0.571 nan 8.250 nan 0.000 0.469 380 P HA -0.152 nan 4.420 nan 0.000 0.226 380 P C 0.195 177.657 177.300 0.271 0.000 1.146 380 P CA 1.409 64.761 63.100 0.420 0.000 0.773 380 P CB 0.270 32.142 31.700 0.288 0.000 0.772 381 D N -2.410 118.081 120.400 0.152 0.000 2.327 381 D HA -0.018 4.622 4.640 -0.000 0.000 0.205 381 D C 0.705 177.061 176.300 0.094 0.000 0.989 381 D CA 0.349 54.414 54.000 0.108 0.000 0.873 381 D CB -0.964 39.877 40.800 0.069 0.000 0.955 381 D HN 0.034 nan 8.370 nan 0.000 0.515 382 M N 1.355 121.001 119.600 0.077 0.000 2.245 382 M HA 0.046 4.526 4.480 -0.000 0.000 0.312 382 M C 0.922 177.277 176.300 0.091 0.000 1.070 382 M CA 0.086 55.420 55.300 0.056 0.000 1.162 382 M CB 0.532 33.135 32.600 0.005 0.000 1.448 382 M HN -0.218 nan 8.290 nan 0.000 0.446 383 D N 0.722 121.163 120.400 0.068 0.000 2.116 383 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 383 D C 1.888 178.239 176.300 0.085 0.000 0.998 383 D CA 1.273 55.316 54.000 0.071 0.000 0.836 383 D CB -0.361 40.471 40.800 0.053 0.000 0.951 383 D HN 0.479 nan 8.370 nan 0.000 0.449 384 V N 0.608 120.575 119.914 0.089 0.000 2.688 384 V HA -0.145 3.975 4.120 -0.000 0.000 0.256 384 V C 1.603 177.803 176.094 0.176 0.000 1.084 384 V CA 1.772 64.134 62.300 0.104 0.000 1.103 384 V CB -0.456 31.424 31.823 0.094 0.000 0.688 384 V HN 0.228 nan 8.190 nan 0.000 0.480 385 A N -1.375 121.598 122.820 0.256 0.000 2.412 385 A HA 0.567 4.887 4.320 -0.000 0.000 0.253 385 A C 1.461 179.146 177.584 0.168 0.000 1.334 385 A CA 0.961 53.166 52.037 0.281 0.000 0.929 385 A CB -0.468 18.829 19.000 0.494 0.000 0.983 385 A HN 0.638 nan 8.150 nan 0.000 0.508 386 K N -0.589 119.888 120.400 0.128 0.000 2.948 386 K HA 0.266 4.586 4.320 -0.000 0.000 0.182 386 K C 0.179 176.832 176.600 0.087 0.000 1.750 386 K CA 0.575 56.936 56.287 0.122 0.000 1.390 386 K CB 0.194 32.764 32.500 0.117 0.000 1.986 386 K HN 0.509 nan 8.250 nan 0.000 0.628 387 E N 0.984 121.210 120.200 0.043 0.000 2.202 387 E HA 0.348 4.697 4.350 -0.000 0.000 0.272 387 E C -1.174 175.368 176.600 -0.097 0.000 0.951 387 E CA -0.756 55.635 56.400 -0.015 0.000 0.813 387 E CB 2.030 31.741 29.700 0.020 0.000 1.151 387 E HN 0.403 nan 8.360 nan 0.000 0.398 388 E N 1.022 121.094 120.200 -0.212 0.000 2.344 388 E HA 0.023 4.373 4.350 -0.000 0.000 0.270 388 E C 0.283 176.727 176.600 -0.260 0.000 1.021 388 E CA 0.030 56.212 56.400 -0.364 0.000 0.887 388 E CB 1.004 30.287 29.700 -0.694 0.000 0.997 388 E HN 0.486 nan 8.360 nan 0.000 0.429 389 T N 3.001 117.427 114.554 -0.213 0.000 2.612 389 T HA -0.139 4.211 4.350 -0.000 0.000 0.259 389 T C 0.368 175.100 174.700 0.052 0.000 1.065 389 T CA 0.661 62.720 62.100 -0.068 0.000 1.167 389 T CB -0.173 68.673 68.868 -0.037 0.000 0.863 389 T HN 0.615 nan 8.240 nan 0.000 0.407 390 F N 0.393 120.373 119.950 0.050 0.000 2.884 390 F HA -0.097 4.430 4.527 -0.000 0.000 0.294 390 F C 0.757 176.614 175.800 0.095 0.000 0.723 390 F CA 0.526 58.588 58.000 0.103 0.000 1.294 390 F CB -1.778 37.332 39.000 0.183 0.000 1.551 390 F HN 0.426 nan 8.300 nan 0.000 0.363 391 G N -1.231 107.673 108.800 0.174 0.000 2.733 391 G HA2 0.688 4.648 3.960 -0.000 0.000 0.288 391 G HA3 0.688 4.648 3.960 -0.000 0.000 0.288 391 G C -2.518 172.420 174.900 0.063 0.000 1.373 391 G CA -0.922 44.229 45.100 0.085 0.000 0.895 391 G HN -0.201 nan 8.290 nan 0.000 0.479 392 P HA 0.233 nan 4.420 nan 0.000 0.258 392 P C 0.519 177.932 177.300 0.189 0.000 1.559 392 P CA 0.083 63.320 63.100 0.228 0.000 0.855 392 P CB -0.503 31.428 31.700 0.385 0.000 1.594 393 L N -0.075 121.168 121.223 0.034 0.000 2.278 393 L HA 0.741 5.081 4.340 -0.000 0.000 0.287 393 L C 0.833 177.703 176.870 -0.001 0.000 1.072 393 L CA -0.891 53.961 54.840 0.020 0.000 0.819 393 L CB 0.053 42.101 42.059 -0.018 0.000 1.176 393 L HN 0.202 nan 8.230 nan 0.000 0.435 394 A N 5.382 128.187 122.820 -0.024 0.000 2.690 394 A HA 0.726 5.046 4.320 -0.000 0.000 0.342 394 A C -2.501 174.980 177.584 -0.172 0.000 1.410 394 A CA -1.404 50.549 52.037 -0.141 0.000 0.958 394 A CB -0.220 18.548 19.000 -0.387 0.000 1.153 394 A HN 0.690 nan 8.150 nan 0.000 0.497 395 P HA 0.372 nan 4.420 nan 0.000 0.293 395 P C -0.721 176.640 177.300 0.101 0.000 1.300 395 P CA -0.101 63.010 63.100 0.019 0.000 0.792 395 P CB 1.119 32.864 31.700 0.076 0.000 0.925 396 L N 4.511 125.728 121.223 -0.009 0.000 2.264 396 L HA 0.419 4.759 4.340 -0.000 0.000 0.287 396 L C 0.449 177.404 176.870 0.142 0.000 1.039 396 L CA -0.651 54.260 54.840 0.118 0.000 0.829 396 L CB -0.168 41.868 42.059 -0.038 0.000 1.211 396 L HN 0.243 nan 8.230 nan 0.000 0.427 397 F N 2.315 122.283 119.950 0.030 0.000 2.375 397 F HA 0.460 4.987 4.527 -0.000 0.000 0.313 397 F C 0.840 176.766 175.800 0.210 0.000 1.176 397 F CA -0.337 57.652 58.000 -0.018 0.000 1.142 397 F CB 0.793 39.537 39.000 -0.426 0.000 1.275 397 F HN 0.435 nan 8.300 nan 0.000 0.544 398 R N 1.508 122.209 120.500 0.334 0.000 2.740 398 R HA 0.574 4.914 4.340 -0.000 0.000 0.282 398 R C -1.736 174.750 176.300 0.310 0.000 0.969 398 R CA -0.651 55.582 56.100 0.221 0.000 0.918 398 R CB 1.766 31.992 30.300 -0.124 0.000 1.175 398 R HN 0.627 nan 8.270 nan 0.000 0.464 399 F N 0.245 120.277 119.950 0.137 0.000 2.613 399 F HA 0.710 5.237 4.527 -0.000 0.000 0.310 399 F C -0.624 175.194 175.800 0.031 0.000 1.085 399 F CA -0.641 57.430 58.000 0.118 0.000 0.945 399 F CB 1.676 40.778 39.000 0.171 0.000 1.298 399 F HN 0.503 nan 8.300 nan 0.000 0.455 400 A N 1.097 124.045 122.820 0.214 0.000 1.984 400 A HA 0.465 4.785 4.320 -0.000 0.000 0.203 400 A C 0.662 178.485 177.584 0.398 0.000 1.292 400 A CA 0.834 52.927 52.037 0.094 0.000 0.782 400 A CB -0.732 18.302 19.000 0.056 0.000 0.924 400 A HN 1.049 nan 8.150 nan 0.000 0.475 401 S N -1.230 114.741 115.700 0.452 0.000 2.648 401 S HA 0.479 4.949 4.470 -0.000 0.000 0.305 401 S C 0.433 175.275 174.600 0.403 0.000 1.094 401 S CA 0.142 58.577 58.200 0.391 0.000 0.983 401 S CB 1.911 65.247 63.200 0.226 0.000 1.101 401 S HN 0.324 nan 8.310 nan 0.000 0.514 402 E N 0.408 120.808 120.200 0.334 0.000 2.072 402 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 402 E C 1.740 178.408 176.600 0.114 0.000 0.985 402 E CA 1.003 57.563 56.400 0.267 0.000 0.801 402 E CB -0.100 29.717 29.700 0.195 0.000 0.750 402 E HN 0.790 nan 8.360 nan 0.000 0.452 403 E N 0.558 120.818 120.200 0.099 0.000 2.110 403 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 403 E C 1.954 178.577 176.600 0.038 0.000 0.988 403 E CA 1.104 57.536 56.400 0.054 0.000 0.804 403 E CB 0.005 29.739 29.700 0.056 0.000 0.745 403 E HN 0.313 nan 8.360 nan 0.000 0.458 404 E N 1.042 121.283 120.200 0.069 0.000 2.230 404 E HA -0.131 4.219 4.350 -0.000 0.000 0.192 404 E C 2.396 179.004 176.600 0.014 0.000 0.987 404 E CA 0.212 56.651 56.400 0.065 0.000 0.841 404 E CB -0.267 29.503 29.700 0.116 0.000 0.783 404 E HN 0.343 nan 8.360 nan 0.000 0.481 405 L N 0.623 121.804 121.223 -0.069 0.000 2.017 405 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 405 L C 2.372 179.055 176.870 -0.312 0.000 1.073 405 L CA 1.176 55.819 54.840 -0.328 0.000 0.745 405 L CB -0.269 41.313 42.059 -0.795 0.000 0.894 405 L HN -0.056 nan 8.230 nan 0.000 0.432 406 V N 0.445 120.247 119.914 -0.186 0.000 2.261 406 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 406 V C 2.824 178.839 176.094 -0.132 0.000 1.047 406 V CA 2.267 64.474 62.300 -0.155 0.000 1.015 406 V CB -0.793 30.983 31.823 -0.078 0.000 0.642 406 V HN 0.553 nan 8.190 nan 0.000 0.446 407 R N -0.612 119.840 120.500 -0.081 0.000 2.127 407 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 407 R C 2.201 178.467 176.300 -0.057 0.000 1.134 407 R CA 1.633 57.702 56.100 -0.051 0.000 0.975 407 R CB -0.250 30.042 30.300 -0.014 0.000 0.865 407 R HN 0.381 nan 8.270 nan 0.000 0.447 408 L N 0.345 121.517 121.223 -0.085 0.000 2.044 408 L HA 0.010 4.350 4.340 -0.000 0.000 0.205 408 L C 2.404 179.140 176.870 -0.223 0.000 1.075 408 L CA 2.028 56.835 54.840 -0.055 0.000 0.747 408 L CB -0.698 41.389 42.059 0.046 0.000 0.903 408 L HN 0.232 nan 8.230 nan 0.000 0.435 409 A N -0.744 121.761 122.820 -0.525 0.000 1.898 409 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 409 A C 1.998 179.517 177.584 -0.107 0.000 1.181 409 A CA 1.654 53.329 52.037 -0.603 0.000 0.620 409 A CB -0.601 17.966 19.000 -0.722 0.000 0.819 409 A HN 0.512 nan 8.150 nan 0.000 0.442 410 N N 0.516 119.175 118.700 -0.069 0.000 2.396 410 N HA -0.070 4.670 4.740 -0.000 0.000 0.180 410 N C 0.044 175.527 175.510 -0.045 0.000 1.028 410 N CA 0.797 53.827 53.050 -0.034 0.000 0.893 410 N CB -0.448 37.997 38.487 -0.070 0.000 0.967 410 N HN 0.487 nan 8.380 nan 0.000 0.440 411 D N 0.802 121.186 120.400 -0.026 0.000 2.422 411 D HA 0.084 4.724 4.640 -0.000 0.000 0.263 411 D C -0.524 175.797 176.300 0.036 0.000 1.334 411 D CA 0.575 54.578 54.000 0.004 0.000 1.105 411 D CB -0.191 40.627 40.800 0.029 0.000 1.107 411 D HN -0.007 nan 8.370 nan 0.000 0.522 412 T N 0.555 115.116 114.554 0.012 0.000 3.013 412 T HA 0.380 4.730 4.350 -0.000 0.000 0.359 412 T C 0.416 175.085 174.700 -0.051 0.000 1.845 412 T CA 0.068 62.199 62.100 0.051 0.000 1.075 412 T CB 0.241 69.198 68.868 0.149 0.000 1.727 412 T HN 0.081 nan 8.240 nan 0.000 0.503 413 E N 1.830 121.964 120.200 -0.110 0.000 2.502 413 E HA 0.393 4.743 4.350 -0.000 0.000 0.194 413 E C -0.005 176.258 176.600 -0.562 0.000 1.062 413 E CA 0.511 56.687 56.400 -0.374 0.000 0.867 413 E CB -0.121 29.272 29.700 -0.512 0.000 0.888 413 E HN 0.481 nan 8.360 nan 0.000 0.510 414 F N -1.170 118.718 119.950 -0.103 0.000 2.523 414 F HA 0.672 5.199 4.527 -0.000 0.000 0.329 414 F C 1.084 176.715 175.800 -0.282 0.000 1.061 414 F CA -0.899 57.030 58.000 -0.117 0.000 0.967 414 F CB 2.834 41.816 39.000 -0.029 0.000 1.218 414 F HN -0.051 nan 8.300 nan 0.000 0.480 415 G N 1.982 110.729 108.800 -0.089 0.000 4.220 415 G HA2 0.357 4.317 3.960 -0.000 0.000 0.256 415 G HA3 0.357 4.317 3.960 -0.000 0.000 0.256 415 G C -0.784 174.080 174.900 -0.060 0.000 1.520 415 G CA -0.122 44.704 45.100 -0.456 0.000 0.608 415 G HN 0.581 nan 8.290 nan 0.000 0.415 416 L N 1.345 122.655 121.223 0.144 0.000 2.562 416 L HA 0.890 5.230 4.340 -0.000 0.000 0.188 416 L C 1.415 178.273 176.870 -0.020 0.000 1.342 416 L CA 0.997 55.849 54.840 0.020 0.000 1.104 416 L CB -0.147 41.904 42.059 -0.012 0.000 1.257 416 L HN 0.348 nan 8.230 nan 0.000 0.632 417 A N -0.613 122.129 122.820 -0.130 0.000 2.295 417 A HA 0.799 5.119 4.320 -0.000 0.000 0.318 417 A C -0.818 176.419 177.584 -0.579 0.000 1.134 417 A CA 0.106 51.912 52.037 -0.385 0.000 0.827 417 A CB 0.528 19.247 19.000 -0.469 0.000 1.136 417 A HN 0.671 nan 8.150 nan 0.000 0.493 418 A N 0.610 122.936 122.820 -0.823 0.000 2.547 418 A HA 0.702 5.022 4.320 -0.000 0.000 0.297 418 A C -1.565 175.501 177.584 -0.864 0.000 1.056 418 A CA -0.434 51.057 52.037 -0.910 0.000 0.688 418 A CB 0.788 19.167 19.000 -1.036 0.000 1.282 418 A HN 0.776 nan 8.150 nan 0.000 0.400 419 Y N 0.428 120.485 120.300 -0.405 0.000 2.549 419 Y HA 0.793 5.343 4.550 -0.000 0.000 0.339 419 Y C -0.304 175.278 175.900 -0.530 0.000 1.053 419 Y CA -1.157 56.663 58.100 -0.467 0.000 1.105 419 Y CB 2.222 40.339 38.460 -0.572 0.000 1.258 419 Y HN 0.679 nan 8.280 nan 0.000 0.478 420 L N 2.129 123.167 121.223 -0.308 0.000 2.562 420 L HA 0.513 4.853 4.340 -0.000 0.000 0.266 420 L C -2.450 174.294 176.870 -0.209 0.000 0.949 420 L CA -0.984 53.725 54.840 -0.218 0.000 0.879 420 L CB 1.050 42.998 42.059 -0.184 0.000 1.278 420 L HN 0.587 nan 8.230 nan 0.000 0.404 421 Y N 3.529 123.751 120.300 -0.130 0.000 2.328 421 Y HA 0.791 5.341 4.550 -0.000 0.000 0.336 421 Y C 0.279 176.238 175.900 0.100 0.000 0.960 421 Y CA -0.086 57.998 58.100 -0.028 0.000 1.134 421 Y CB 2.198 40.647 38.460 -0.020 0.000 1.166 421 Y HN 0.760 nan 8.280 nan 0.000 0.464 422 S N 2.178 117.955 115.700 0.128 0.000 2.578 422 S HA 0.422 4.892 4.470 -0.000 0.000 0.272 422 S C -0.470 174.141 174.600 0.018 0.000 1.145 422 S CA -0.764 57.493 58.200 0.094 0.000 0.835 422 S CB 1.468 64.654 63.200 -0.023 0.000 1.104 422 S HN 0.683 nan 8.310 nan 0.000 0.458 423 R N 1.156 121.667 120.500 0.020 0.000 2.365 423 R HA 0.387 4.727 4.340 -0.000 0.000 0.223 423 R C -0.547 175.749 176.300 -0.006 0.000 0.899 423 R CA 0.082 56.190 56.100 0.014 0.000 1.059 423 R CB 0.066 30.389 30.300 0.039 0.000 1.086 423 R HN 0.635 nan 8.270 nan 0.000 0.522 424 D N -0.287 120.092 120.400 -0.035 0.000 2.277 424 D HA 0.046 4.686 4.640 -0.000 0.000 0.249 424 D C 1.253 177.543 176.300 -0.016 0.000 1.134 424 D CA -0.137 53.841 54.000 -0.037 0.000 0.863 424 D CB 0.719 41.475 40.800 -0.072 0.000 1.143 424 D HN -0.124 nan 8.370 nan 0.000 0.458 425 I N 3.737 124.319 120.570 0.020 0.000 2.264 425 I HA -0.128 4.042 4.170 -0.000 0.000 0.248 425 I C 1.823 178.013 176.117 0.121 0.000 1.111 425 I CA 1.322 62.676 61.300 0.089 0.000 1.382 425 I CB -0.806 37.225 38.000 0.053 0.000 1.060 425 I HN 0.647 nan 8.210 nan 0.000 0.418 426 G N 0.213 109.028 108.800 0.026 0.000 2.434 426 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.214 426 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.214 426 G C 1.841 176.747 174.900 0.011 0.000 1.202 426 G CA 0.825 45.932 45.100 0.011 0.000 0.788 426 G HN 0.291 nan 8.290 nan 0.000 0.539 427 R N -0.167 120.285 120.500 -0.079 0.000 2.115 427 R HA -0.128 4.212 4.340 -0.000 0.000 0.239 427 R C 2.705 178.906 176.300 -0.165 0.000 1.133 427 R CA 2.071 58.052 56.100 -0.199 0.000 0.935 427 R CB -0.786 29.294 30.300 -0.367 0.000 0.853 427 R HN 0.197 nan 8.270 nan 0.000 0.433 428 V N -0.185 119.657 119.914 -0.119 0.000 2.250 428 V HA -0.330 3.790 4.120 -0.000 0.000 0.253 428 V C 2.028 178.052 176.094 -0.117 0.000 1.065 428 V CA 2.385 64.609 62.300 -0.127 0.000 1.039 428 V CB -0.693 31.067 31.823 -0.104 0.000 0.647 428 V HN 0.516 nan 8.190 nan 0.000 0.446 429 W N 0.113 121.345 121.300 -0.113 0.000 2.358 429 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 429 W C 2.801 179.267 176.519 -0.089 0.000 1.208 429 W CA 1.782 59.072 57.345 -0.090 0.000 1.274 429 W CB -0.429 28.986 29.460 -0.074 0.000 1.138 429 W HN 0.088 nan 8.180 nan 0.000 0.515 430 R N -0.457 120.110 120.500 0.111 0.000 2.083 430 R HA -0.177 4.163 4.340 -0.000 0.000 0.237 430 R C 1.827 178.115 176.300 -0.020 0.000 1.137 430 R CA 2.065 58.185 56.100 0.032 0.000 0.951 430 R CB -1.166 29.125 30.300 -0.014 0.000 0.851 430 R HN 0.148 nan 8.270 nan 0.000 0.434 431 V N 0.514 120.388 119.914 -0.066 0.000 2.407 431 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 431 V C 2.383 178.415 176.094 -0.103 0.000 1.041 431 V CA 1.606 63.861 62.300 -0.075 0.000 1.040 431 V CB -0.582 31.207 31.823 -0.056 0.000 0.671 431 V HN 0.361 nan 8.190 nan 0.000 0.455 432 A N -0.180 122.549 122.820 -0.153 0.000 1.972 432 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 432 A C 2.172 179.659 177.584 -0.161 0.000 1.169 432 A CA 1.844 53.757 52.037 -0.207 0.000 0.635 432 A CB -0.389 18.406 19.000 -0.342 0.000 0.810 432 A HN 0.623 nan 8.150 nan 0.000 0.446 433 E N -0.568 119.569 120.200 -0.105 0.000 2.158 433 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 433 E C 2.284 178.856 176.600 -0.047 0.000 0.982 433 E CA 0.644 57.012 56.400 -0.053 0.000 0.823 433 E CB -0.167 29.546 29.700 0.021 0.000 0.766 433 E HN 0.625 nan 8.360 nan 0.000 0.468 434 A N 1.378 124.170 122.820 -0.047 0.000 1.854 434 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 434 A C 1.224 178.780 177.584 -0.047 0.000 1.192 434 A CA 0.359 52.369 52.037 -0.044 0.000 0.611 434 A CB -0.612 18.363 19.000 -0.042 0.000 0.832 434 A HN 0.122 nan 8.150 nan 0.000 0.442 435 L N 1.747 122.944 121.223 -0.043 0.000 2.745 435 L HA -0.049 4.291 4.340 -0.000 0.000 0.273 435 L C 0.121 177.014 176.870 0.037 0.000 1.156 435 L CA -0.017 54.840 54.840 0.028 0.000 0.982 435 L CB -0.103 41.955 42.059 -0.002 0.000 1.295 435 L HN 0.410 nan 8.230 nan 0.000 0.483 436 E N 4.146 124.323 120.200 -0.038 0.000 2.614 436 E HA 0.051 4.400 4.350 -0.000 0.000 0.321 436 E C -1.184 175.169 176.600 -0.412 0.000 1.354 436 E CA 0.110 56.389 56.400 -0.201 0.000 1.469 436 E CB -0.089 29.459 29.700 -0.253 0.000 1.197 436 E HN 0.365 nan 8.360 nan 0.000 0.497 437 Y N -1.459 118.747 120.300 -0.156 0.000 2.442 437 Y HA 0.286 4.836 4.550 -0.000 0.000 0.344 437 Y C 1.373 177.158 175.900 -0.191 0.000 0.976 437 Y CA -0.872 57.123 58.100 -0.175 0.000 1.040 437 Y CB 1.882 40.214 38.460 -0.214 0.000 1.228 437 Y HN 0.175 nan 8.280 nan 0.000 0.451 438 G N 2.314 111.078 108.800 -0.060 0.000 2.422 438 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.218 438 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.218 438 G C 0.260 175.055 174.900 -0.174 0.000 1.146 438 G CA 0.677 45.699 45.100 -0.130 0.000 0.769 438 G HN 0.478 nan 8.290 nan 0.000 0.547 439 M N 0.362 119.837 119.600 -0.209 0.000 2.204 439 M HA 0.424 4.904 4.480 -0.000 0.000 0.293 439 M C -1.681 174.433 176.300 -0.310 0.000 0.994 439 M CA -0.386 54.750 55.300 -0.273 0.000 0.925 439 M CB 3.506 35.877 32.600 -0.382 0.000 1.577 439 M HN -0.226 nan 8.290 nan 0.000 0.439 440 V N 2.480 122.228 119.914 -0.276 0.000 2.349 440 V HA 0.538 4.658 4.120 -0.000 0.000 0.284 440 V C 0.402 176.340 176.094 -0.260 0.000 1.014 440 V CA -0.830 61.283 62.300 -0.311 0.000 0.826 440 V CB 1.480 33.143 31.823 -0.266 0.000 1.009 440 V HN 0.989 nan 8.190 nan 0.000 0.431 441 G N 5.055 113.707 108.800 -0.246 0.000 2.355 441 G HA2 0.617 4.577 3.960 -0.000 0.000 0.276 441 G HA3 0.617 4.577 3.960 -0.000 0.000 0.276 441 G C -0.593 174.208 174.900 -0.165 0.000 1.198 441 G CA -0.243 44.811 45.100 -0.078 0.000 0.876 441 G HN 0.632 nan 8.290 nan 0.000 0.478 442 I N 2.185 122.627 120.570 -0.214 0.000 2.378 442 I HA 0.172 4.342 4.170 -0.000 0.000 0.291 442 I C 0.054 175.924 176.117 -0.412 0.000 0.992 442 I CA -0.839 60.277 61.300 -0.307 0.000 1.154 442 I CB 1.736 39.577 38.000 -0.265 0.000 1.315 442 I HN 0.453 nan 8.210 nan 0.000 0.448 443 N N 2.130 120.378 118.700 -0.753 0.000 2.666 443 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 443 N C -0.174 174.884 175.510 -0.753 0.000 1.118 443 N CA 1.293 53.656 53.050 -1.146 0.000 0.722 443 N CB -0.848 37.360 38.487 -0.465 0.000 1.050 443 N HN 0.755 nan 8.380 nan 0.000 0.550 444 T N -3.173 111.090 114.554 -0.485 0.000 2.868 444 T HA 0.622 4.972 4.350 -0.000 0.000 0.306 444 T C 1.037 175.839 174.700 0.169 0.000 1.224 444 T CA 0.035 62.140 62.100 0.009 0.000 1.012 444 T CB 1.646 70.513 68.868 -0.003 0.000 1.221 444 T HN 0.034 nan 8.240 nan 0.000 0.499 445 G N 1.119 110.032 108.800 0.189 0.000 2.673 445 G HA2 0.307 4.267 3.960 -0.000 0.000 0.208 445 G HA3 0.307 4.267 3.960 -0.000 0.000 0.208 445 G C -0.017 174.893 174.900 0.017 0.000 1.128 445 G CA -0.051 45.081 45.100 0.053 0.000 0.805 445 G HN 0.563 nan 8.290 nan 0.000 0.526 446 L N 1.566 122.839 121.223 0.083 0.000 2.272 446 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 446 L C 0.748 177.682 176.870 0.107 0.000 1.032 446 L CA -0.596 54.298 54.840 0.089 0.000 0.810 446 L CB 1.823 43.916 42.059 0.057 0.000 1.205 446 L HN 0.305 nan 8.230 nan 0.000 0.422 447 I N -2.450 118.202 120.570 0.137 0.000 4.592 447 I HA 0.260 4.430 4.170 -0.000 0.000 0.329 447 I C 0.593 176.786 176.117 0.127 0.000 1.309 447 I CA -0.045 61.322 61.300 0.110 0.000 1.243 447 I CB 0.858 38.916 38.000 0.095 0.000 1.241 447 I HN 0.364 nan 8.210 nan 0.000 0.434 448 S N 3.674 119.468 115.700 0.157 0.000 2.515 448 S HA 0.239 4.709 4.470 -0.000 0.000 0.285 448 S C -0.294 174.428 174.600 0.205 0.000 1.265 448 S CA 0.068 58.407 58.200 0.232 0.000 1.079 448 S CB -0.481 62.751 63.200 0.054 0.000 0.877 448 S HN 0.797 nan 8.310 nan 0.000 0.493 449 N N 0.804 119.634 118.700 0.218 0.000 2.591 449 N HA 0.215 4.955 4.740 -0.000 0.000 0.263 449 N C 0.133 175.524 175.510 -0.198 0.000 1.308 449 N CA -0.961 52.112 53.050 0.038 0.000 0.837 449 N CB 0.675 39.129 38.487 -0.055 0.000 1.548 449 N HN 0.311 nan 8.380 nan 0.000 0.493 450 E N 0.172 119.997 120.200 -0.625 0.000 2.482 450 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 450 E C 0.907 176.746 176.600 -1.268 0.000 1.047 450 E CA 1.168 56.859 56.400 -1.182 0.000 0.869 450 E CB -0.262 28.520 29.700 -1.531 0.000 0.836 450 E HN 0.559 nan 8.360 nan 0.000 0.520 451 V N -2.305 117.032 119.914 -0.962 0.000 3.644 451 V HA 0.537 4.657 4.120 -0.000 0.000 0.267 451 V C 0.936 176.763 176.094 -0.445 0.000 1.277 451 V CA 0.139 61.783 62.300 -1.094 0.000 1.096 451 V CB 0.119 31.510 31.823 -0.719 0.000 0.828 451 V HN 0.282 nan 8.190 nan 0.000 0.446 452 A N 2.297 124.975 122.820 -0.237 0.000 2.330 452 A HA 0.848 5.168 4.320 -0.000 0.000 0.327 452 A C -2.773 174.856 177.584 0.075 0.000 1.155 452 A CA -2.051 49.965 52.037 -0.035 0.000 0.803 452 A CB 0.669 19.661 19.000 -0.013 0.000 1.208 452 A HN 0.313 nan 8.150 nan 0.000 0.477 453 P HA 0.147 nan 4.420 nan 0.000 0.267 453 P C -1.098 176.293 177.300 0.152 0.000 1.209 453 P CA 0.430 63.643 63.100 0.188 0.000 0.763 453 P CB 0.223 32.005 31.700 0.136 0.000 0.816 454 F N 3.684 123.669 119.950 0.059 0.000 2.427 454 F HA 0.679 5.206 4.527 -0.000 0.000 0.348 454 F C 0.218 176.028 175.800 0.016 0.000 1.125 454 F CA 0.339 58.361 58.000 0.036 0.000 0.989 454 F CB 1.522 40.565 39.000 0.071 0.000 1.165 454 F HN 0.608 nan 8.300 nan 0.000 0.442 455 G N 2.559 111.249 108.800 -0.183 0.000 2.322 455 G HA2 0.485 4.445 3.960 -0.000 0.000 0.295 455 G HA3 0.485 4.445 3.960 -0.000 0.000 0.295 455 G C -1.666 173.136 174.900 -0.164 0.000 1.369 455 G CA -0.233 44.825 45.100 -0.069 0.000 0.821 455 G HN 0.970 nan 8.290 nan 0.000 0.536 456 G N -1.329 107.425 108.800 -0.078 0.000 2.563 456 G HA2 0.859 4.819 3.960 -0.000 0.000 0.302 456 G HA3 0.859 4.819 3.960 -0.000 0.000 0.302 456 G C 0.179 175.038 174.900 -0.068 0.000 1.301 456 G CA 0.291 45.344 45.100 -0.078 0.000 0.965 456 G HN 1.732 nan 8.290 nan 0.000 0.480 457 V N -0.467 119.387 119.914 -0.101 0.000 3.859 457 V HA 0.688 4.808 4.120 -0.000 0.000 0.277 457 V C 1.417 177.437 176.094 -0.124 0.000 1.173 457 V CA 0.100 62.330 62.300 -0.117 0.000 0.872 457 V CB -0.016 31.717 31.823 -0.150 0.000 1.240 457 V HN 1.017 nan 8.190 nan 0.000 0.437 458 K N -1.220 119.089 120.400 -0.151 0.000 1.691 458 K HA -0.273 4.047 4.320 -0.000 0.000 0.123 458 K C 1.182 177.684 176.600 -0.164 0.000 1.045 458 K CA 2.376 58.556 56.287 -0.178 0.000 0.330 458 K CB -1.187 31.167 32.500 -0.243 0.000 0.652 458 K HN 0.820 nan 8.250 nan 0.000 0.869 459 Q N 0.250 119.910 119.800 -0.233 0.000 2.220 459 Q HA 0.190 4.530 4.340 -0.000 0.000 0.205 459 Q C 0.832 176.826 176.000 -0.010 0.000 0.865 459 Q CA 0.461 56.121 55.803 -0.238 0.000 0.960 459 Q CB 1.143 29.545 28.738 -0.560 0.000 1.097 459 Q HN 0.353 nan 8.270 nan 0.000 0.493 460 S N -0.265 115.471 115.700 0.061 0.000 2.558 460 S HA 0.319 4.789 4.470 -0.000 0.000 0.217 460 S C 0.978 175.636 174.600 0.097 0.000 0.975 460 S CA 0.506 58.799 58.200 0.155 0.000 0.912 460 S CB 0.496 63.760 63.200 0.107 0.000 0.776 460 S HN 0.610 nan 8.310 nan 0.000 0.526 461 G N 0.650 109.481 108.800 0.050 0.000 2.265 461 G HA2 0.069 4.029 3.960 -0.000 0.000 0.246 461 G HA3 0.069 4.029 3.960 -0.000 0.000 0.246 461 G C -1.898 173.014 174.900 0.020 0.000 1.299 461 G CA -1.008 44.125 45.100 0.055 0.000 1.117 461 G HN 0.237 nan 8.290 nan 0.000 0.485 462 L N 0.299 121.542 121.223 0.033 0.000 2.393 462 L HA 0.739 5.079 4.340 -0.000 0.000 0.260 462 L C 0.849 177.732 176.870 0.023 0.000 1.002 462 L CA -0.161 54.687 54.840 0.012 0.000 0.818 462 L CB 1.732 43.795 42.059 0.006 0.000 1.369 462 L HN 2.575 nan 8.230 nan 0.000 0.412 463 G N 1.518 110.323 108.800 0.009 0.000 2.828 463 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.463 463 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.463 463 G C -1.199 173.728 174.900 0.045 0.000 1.394 463 G CA -0.809 44.307 45.100 0.027 0.000 0.862 463 G HN 0.542 nan 8.290 nan 0.000 0.540 464 R N 0.079 120.631 120.500 0.087 0.000 2.771 464 R HA 0.596 4.936 4.340 -0.000 0.000 0.274 464 R C -0.643 175.792 176.300 0.224 0.000 0.987 464 R CA -0.755 55.423 56.100 0.130 0.000 0.908 464 R CB 1.888 32.224 30.300 0.060 0.000 1.213 464 R HN 0.738 nan 8.270 nan 0.000 0.468 465 E N 0.136 120.503 120.200 0.278 0.000 2.210 465 E HA 0.587 4.937 4.350 -0.000 0.000 0.266 465 E C -0.202 176.629 176.600 0.384 0.000 0.883 465 E CA -0.512 56.073 56.400 0.309 0.000 0.761 465 E CB 2.253 32.052 29.700 0.165 0.000 1.156 465 E HN 0.805 nan 8.360 nan 0.000 0.412 466 G N 2.117 111.247 108.800 0.549 0.000 2.685 466 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.387 466 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.387 466 G C 0.124 175.216 174.900 0.321 0.000 1.324 466 G CA -0.318 44.994 45.100 0.353 0.000 0.878 466 G HN 1.315 nan 8.290 nan 0.000 0.527 467 S N -2.112 113.604 115.700 0.026 0.000 3.144 467 S HA -0.382 4.088 4.470 -0.000 0.000 0.629 467 S C 1.389 176.369 174.600 0.632 0.000 2.962 467 S CA 2.343 60.719 58.200 0.292 0.000 3.700 467 S CB -1.219 62.062 63.200 0.135 0.000 0.286 467 S HN 2.724 nan 8.310 nan 0.000 1.464 468 H N 0.648 119.862 119.070 0.240 0.000 2.544 468 H HA 0.130 4.686 4.556 -0.000 0.000 0.269 468 H C 1.775 177.163 175.328 0.099 0.000 0.970 468 H CA 1.096 57.214 56.048 0.116 0.000 1.219 468 H CB -0.401 29.318 29.762 -0.071 0.000 1.421 468 H HN 0.646 nan 8.280 nan 0.000 0.555 469 Y N 2.145 122.380 120.300 -0.109 0.000 2.293 469 Y HA 0.051 4.601 4.550 -0.000 0.000 0.291 469 Y C 2.879 178.881 175.900 0.171 0.000 1.137 469 Y CA 1.098 59.190 58.100 -0.014 0.000 1.202 469 Y CB -0.601 37.814 38.460 -0.075 0.000 0.990 469 Y HN 0.356 nan 8.280 nan 0.000 0.537 470 G N -0.783 108.282 108.800 0.441 0.000 2.916 470 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.205 470 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.205 470 G C 1.222 176.264 174.900 0.238 0.000 1.163 470 G CA 0.591 45.942 45.100 0.419 0.000 0.821 470 G HN 0.526 nan 8.290 nan 0.000 0.515 471 I N -1.603 119.125 120.570 0.263 0.000 4.592 471 I HA 0.163 4.333 4.170 -0.000 0.000 0.329 471 I C 0.970 177.230 176.117 0.238 0.000 1.309 471 I CA 0.048 61.454 61.300 0.176 0.000 1.243 471 I CB 0.596 38.660 38.000 0.107 0.000 1.241 471 I HN -0.128 nan 8.210 nan 0.000 0.434 472 D N 1.465 122.009 120.400 0.240 0.000 2.218 472 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 472 D C 1.313 177.710 176.300 0.163 0.000 0.976 472 D CA 1.168 55.290 54.000 0.203 0.000 0.853 472 D CB -0.086 40.850 40.800 0.226 0.000 0.939 472 D HN 0.407 nan 8.370 nan 0.000 0.481 473 D N -0.444 120.060 120.400 0.173 0.000 2.178 473 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 473 D C 1.462 177.729 176.300 -0.056 0.000 0.974 473 D CA 0.732 54.755 54.000 0.039 0.000 0.841 473 D CB -0.143 40.647 40.800 -0.015 0.000 0.953 473 D HN 0.400 nan 8.370 nan 0.000 0.478 474 Y N 0.403 120.715 120.300 0.020 0.000 2.482 474 Y HA 0.071 4.621 4.550 -0.000 0.000 0.270 474 Y C 0.885 176.806 175.900 0.036 0.000 1.152 474 Y CA -0.337 57.768 58.100 0.008 0.000 1.292 474 Y CB 0.724 39.173 38.460 -0.019 0.000 1.070 474 Y HN -0.219 nan 8.280 nan 0.000 0.528 475 V N -2.145 117.875 119.914 0.176 0.000 2.513 475 V HA 0.623 4.743 4.120 -0.000 0.000 0.299 475 V C -0.326 175.831 176.094 0.106 0.000 1.035 475 V CA -1.232 61.154 62.300 0.143 0.000 0.889 475 V CB 1.599 33.504 31.823 0.136 0.000 0.988 475 V HN -0.208 nan 8.190 nan 0.000 0.440 476 V N 5.182 125.159 119.914 0.105 0.000 3.134 476 V HA 0.609 4.729 4.120 -0.000 0.000 0.313 476 V C -0.095 176.051 176.094 0.087 0.000 1.069 476 V CA -0.638 61.714 62.300 0.087 0.000 1.048 476 V CB 1.834 33.711 31.823 0.091 0.000 1.119 476 V HN 1.006 nan 8.190 nan 0.000 0.461 477 I N 3.672 124.290 120.570 0.079 0.000 2.439 477 I HA 0.519 4.689 4.170 -0.000 0.000 0.285 477 I C -0.677 175.495 176.117 0.090 0.000 1.021 477 I CA -0.554 60.795 61.300 0.082 0.000 1.091 477 I CB 0.947 38.993 38.000 0.077 0.000 1.242 477 I HN 0.595 nan 8.210 nan 0.000 0.439 478 K N 7.338 127.792 120.400 0.090 0.000 2.389 478 K HA 0.220 4.540 4.320 -0.000 0.000 0.261 478 K C -1.501 175.171 176.600 0.122 0.000 1.014 478 K CA -0.687 55.655 56.287 0.091 0.000 0.920 478 K CB 0.909 33.442 32.500 0.055 0.000 1.149 478 K HN 0.651 nan 8.250 nan 0.000 0.444 479 Y N 5.774 126.084 120.300 0.018 0.000 2.393 479 Y HA 0.276 4.826 4.550 -0.000 0.000 0.338 479 Y C -1.344 174.563 175.900 0.010 0.000 1.029 479 Y CA -0.440 57.668 58.100 0.014 0.000 1.239 479 Y CB 0.424 38.893 38.460 0.014 0.000 1.170 479 Y HN 0.440 nan 8.280 nan 0.000 0.515 480 L N 7.514 128.541 121.223 -0.327 0.000 2.287 480 L HA 0.393 4.733 4.340 -0.000 0.000 0.287 480 L C -0.744 175.808 176.870 -0.530 0.000 1.022 480 L CA -0.651 53.951 54.840 -0.396 0.000 0.814 480 L CB 1.431 43.396 42.059 -0.156 0.000 1.217 480 L HN 0.732 nan 8.230 nan 0.000 0.420 481 C N 4.926 123.888 119.300 -0.562 0.000 2.264 481 C HA 0.622 5.082 4.460 -0.000 0.000 0.322 481 C C 0.165 175.063 174.990 -0.153 0.000 1.210 481 C CA -0.531 58.283 59.018 -0.340 0.000 1.539 481 C CB 0.047 27.592 27.740 -0.325 0.000 2.167 481 C HN 0.561 nan 8.230 nan 0.000 0.463 482 V N 5.645 125.508 119.914 -0.086 0.000 2.439 482 V HA 0.630 4.750 4.120 -0.000 0.000 0.282 482 V C 0.716 176.793 176.094 -0.028 0.000 1.039 482 V CA -0.529 61.738 62.300 -0.054 0.000 0.913 482 V CB 1.228 33.027 31.823 -0.040 0.000 0.983 482 V HN 0.976 nan 8.190 nan 0.000 0.460 483 A N 4.272 127.077 122.820 -0.025 0.000 2.354 483 A HA 0.737 5.057 4.320 -0.000 0.000 0.281 483 A C -0.278 177.299 177.584 -0.011 0.000 1.174 483 A CA -0.147 51.882 52.037 -0.014 0.000 0.828 483 A CB 0.767 19.759 19.000 -0.013 0.000 1.099 483 A HN 1.181 nan 8.150 nan 0.000 0.516 484 V N 0.000 119.910 119.914 -0.006 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.297 62.300 -0.005 0.000 1.235 484 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556