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 3ifg_1_N 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 0.000 174.876 174.900 -0.040 0.000 0.946 3 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 4 S N 1.074 116.754 115.700 -0.035 0.000 3.940 4 S HA 0.701 5.171 4.470 0.000 0.000 0.210 4 S C 0.107 174.693 174.600 -0.023 0.000 1.419 4 S CA -0.203 57.982 58.200 -0.025 0.000 0.912 4 S CB -0.452 62.736 63.200 -0.019 0.000 1.489 4 S HN 0.361 nan 8.310 nan 0.000 0.469 5 M N 1.473 121.059 119.600 -0.024 0.000 2.535 5 M HA 0.435 4.915 4.480 0.000 0.000 0.314 5 M C 0.794 177.088 176.300 -0.010 0.000 1.153 5 M CA -0.844 54.446 55.300 -0.018 0.000 0.924 5 M CB 2.246 34.831 32.600 -0.024 0.000 1.710 5 M HN 0.171 nan 8.290 nan 0.000 0.451 6 K N 0.536 120.934 120.400 -0.004 0.000 2.063 6 K HA -0.133 4.187 4.320 0.000 0.000 0.208 6 K C 0.171 176.773 176.600 0.004 0.000 1.048 6 K CA 1.389 57.676 56.287 -0.000 0.000 0.928 6 K CB 0.116 32.618 32.500 0.002 0.000 0.713 6 K HN 0.443 nan 8.250 nan 0.000 0.442 7 D N -0.914 119.492 120.400 0.010 0.000 2.412 7 D HA 0.125 4.765 4.640 0.000 0.000 0.276 7 D C -2.191 174.123 176.300 0.022 0.000 1.196 7 D CA -2.278 51.737 54.000 0.025 0.000 0.905 7 D CB 1.093 41.918 40.800 0.041 0.000 1.081 7 D HN -0.103 nan 8.370 nan 0.000 0.502 8 P HA -0.103 nan 4.420 nan 0.000 0.230 8 P C 1.084 178.355 177.300 -0.048 0.000 1.158 8 P CA 0.534 63.617 63.100 -0.029 0.000 0.769 8 P CB 0.148 31.828 31.700 -0.035 0.000 0.807 9 S N -0.905 114.786 115.700 -0.014 0.000 2.522 9 S HA -0.004 4.467 4.470 0.000 0.000 0.227 9 S C 1.937 176.482 174.600 -0.092 0.000 0.986 9 S CA 0.153 58.312 58.200 -0.068 0.000 0.929 9 S CB -1.368 61.861 63.200 0.049 0.000 0.769 9 S HN 0.078 nan 8.310 nan 0.000 0.529 10 L N 0.134 121.402 121.223 0.076 0.000 2.131 10 L HA 0.122 4.463 4.340 0.000 0.000 0.210 10 L C 1.023 177.871 176.870 -0.036 0.000 1.092 10 L CA 0.497 55.418 54.840 0.136 0.000 0.759 10 L CB -0.413 41.722 42.059 0.127 0.000 0.903 10 L HN 0.364 nan 8.230 nan 0.000 0.435 11 L N 1.733 122.879 121.223 -0.128 0.000 2.342 11 L HA 0.179 4.519 4.340 0.000 0.000 0.285 11 L C 0.056 176.745 176.870 -0.302 0.000 1.095 11 L CA 0.239 54.945 54.840 -0.223 0.000 0.843 11 L CB -0.011 41.876 42.059 -0.286 0.000 1.201 11 L HN -0.000 nan 8.230 nan 0.000 0.445 12 R N 4.257 124.607 120.500 -0.250 0.000 2.540 12 R HA 0.374 4.715 4.340 0.000 0.000 0.287 12 R C 0.051 176.212 176.300 -0.232 0.000 0.980 12 R CA -0.522 55.398 56.100 -0.300 0.000 0.966 12 R CB 0.914 31.014 30.300 -0.333 0.000 1.106 12 R HN 0.638 nan 8.270 nan 0.000 0.480 13 H N 0.064 119.119 119.070 -0.025 0.000 3.058 13 H HA 0.250 4.806 4.556 0.000 0.000 0.266 13 H C -0.186 175.149 175.328 0.011 0.000 1.135 13 H CA 0.015 56.084 56.048 0.035 0.000 1.174 13 H CB 1.706 31.461 29.762 -0.011 0.000 1.581 13 H HN 0.358 nan 8.280 nan 0.000 0.553 14 Q N 0.453 120.332 119.800 0.131 0.000 2.345 14 Q HA 0.644 4.984 4.340 0.000 0.000 0.268 14 Q C -0.430 175.793 176.000 0.372 0.000 1.054 14 Q CA -0.817 55.116 55.803 0.217 0.000 0.835 14 Q CB 3.203 32.087 28.738 0.244 0.000 1.339 14 Q HN 0.191 nan 8.270 nan 0.000 0.447 15 A N 1.162 124.137 122.820 0.259 0.000 2.296 15 A HA 0.285 4.606 4.320 0.000 0.000 0.264 15 A C -1.327 176.356 177.584 0.164 0.000 1.097 15 A CA -0.021 52.138 52.037 0.203 0.000 0.811 15 A CB 0.314 19.367 19.000 0.087 0.000 1.072 15 A HN 0.691 nan 8.150 nan 0.000 0.495 16 Y N 1.531 121.677 120.300 -0.257 0.000 2.805 16 Y HA 0.411 4.961 4.550 0.000 0.000 0.339 16 Y C -0.761 174.923 175.900 -0.360 0.000 1.012 16 Y CA -1.368 56.359 58.100 -0.622 0.000 1.262 16 Y CB 0.577 38.439 38.460 -0.996 0.000 1.100 16 Y HN 0.384 nan 8.280 nan 0.000 0.559 17 I N 4.932 125.255 120.570 -0.411 0.000 2.287 17 I HA 0.270 4.440 4.170 0.000 0.000 0.290 17 I C 1.081 176.937 176.117 -0.435 0.000 1.069 17 I CA -0.349 60.756 61.300 -0.325 0.000 1.237 17 I CB 0.285 38.184 38.000 -0.169 0.000 1.418 17 I HN 0.875 nan 8.210 nan 0.000 0.481 18 G N 5.173 113.698 108.800 -0.459 0.000 2.372 18 G HA2 -0.070 3.890 3.960 0.000 0.000 0.290 18 G HA3 -0.070 3.890 3.960 0.000 0.000 0.290 18 G C 1.077 175.679 174.900 -0.497 0.000 0.965 18 G CA 0.853 45.711 45.100 -0.403 0.000 1.263 18 G HN 1.407 nan 8.290 nan 0.000 0.498 19 G N -0.746 107.525 108.800 -0.881 0.000 2.420 19 G HA2 -0.229 3.731 3.960 0.000 0.000 0.221 19 G HA3 -0.229 3.731 3.960 0.000 0.000 0.221 19 G C 0.354 174.862 174.900 -0.653 0.000 1.117 19 G CA 0.925 45.600 45.100 -0.709 0.000 0.657 19 G HN 1.111 nan 8.290 nan 0.000 0.512 20 E N 0.516 120.423 120.200 -0.488 0.000 2.283 20 E HA 0.535 4.885 4.350 0.000 0.000 0.278 20 E C -0.429 176.022 176.600 -0.249 0.000 1.027 20 E CA -0.701 55.562 56.400 -0.227 0.000 0.843 20 E CB 0.327 29.970 29.700 -0.096 0.000 1.062 20 E HN 0.369 nan 8.360 nan 0.000 0.401 21 W N 2.961 124.310 121.300 0.081 0.000 2.266 21 W HA 0.265 4.925 4.660 0.000 0.000 0.317 21 W C 0.431 176.973 176.519 0.038 0.000 1.310 21 W CA -0.069 57.346 57.345 0.117 0.000 1.207 21 W CB 0.602 30.132 29.460 0.116 0.000 1.199 21 W HN 0.344 nan 8.180 nan 0.000 0.544 22 Q N 1.818 121.769 119.800 0.251 0.000 2.687 22 Q HA 0.824 5.164 4.340 0.000 0.000 0.305 22 Q C -0.892 175.180 176.000 0.121 0.000 1.006 22 Q CA -1.258 54.625 55.803 0.133 0.000 0.763 22 Q CB 2.007 30.775 28.738 0.051 0.000 1.506 22 Q HN 0.494 nan 8.270 nan 0.000 0.459 23 A N 0.302 123.166 122.820 0.074 0.000 2.346 23 A HA 0.880 5.200 4.320 0.000 0.000 0.313 23 A C -0.755 176.854 177.584 0.041 0.000 1.140 23 A CA -0.236 51.835 52.037 0.056 0.000 0.826 23 A CB 0.942 19.967 19.000 0.042 0.000 1.332 23 A HN 0.727 nan 8.150 nan 0.000 0.457 24 A N -0.047 122.796 122.820 0.039 0.000 2.507 24 A HA 0.268 4.588 4.320 0.000 0.000 0.235 24 A C 0.659 178.260 177.584 0.027 0.000 1.070 24 A CA 0.456 52.515 52.037 0.036 0.000 0.768 24 A CB -0.178 18.850 19.000 0.047 0.000 1.011 24 A HN 0.773 nan 8.150 nan 0.000 0.502 25 D N 0.860 121.273 120.400 0.022 0.000 2.123 25 D HA -0.146 4.494 4.640 0.000 0.000 0.196 25 D C 2.257 178.567 176.300 0.017 0.000 0.992 25 D CA 2.205 56.215 54.000 0.016 0.000 0.833 25 D CB -0.192 40.615 40.800 0.011 0.000 0.954 25 D HN 0.681 nan 8.370 nan 0.000 0.455 26 S N -0.497 115.216 115.700 0.021 0.000 2.561 26 S HA -0.062 4.408 4.470 0.000 0.000 0.225 26 S C 0.666 175.280 174.600 0.023 0.000 0.977 26 S CA 0.836 59.049 58.200 0.022 0.000 0.926 26 S CB 0.215 63.430 63.200 0.025 0.000 0.769 26 S HN 0.113 nan 8.310 nan 0.000 0.533 27 D N -0.064 120.351 120.400 0.025 0.000 3.076 27 D HA -0.163 4.477 4.640 0.000 0.000 0.218 27 D C 0.200 176.516 176.300 0.027 0.000 1.156 27 D CA 0.892 54.906 54.000 0.023 0.000 0.921 27 D CB -1.531 39.279 40.800 0.016 0.000 1.113 27 D HN 0.832 nan 8.370 nan 0.000 0.418 28 A N -0.302 122.541 122.820 0.038 0.000 2.386 28 A HA 0.614 4.934 4.320 0.000 0.000 0.248 28 A C 0.917 178.538 177.584 0.062 0.000 1.082 28 A CA 0.762 52.830 52.037 0.052 0.000 0.789 28 A CB 0.668 19.706 19.000 0.064 0.000 1.025 28 A HN 0.551 nan 8.150 nan 0.000 0.490 29 T N -1.649 112.949 114.554 0.072 0.000 2.838 29 T HA 0.802 5.152 4.350 0.000 0.000 0.292 29 T C -0.587 174.211 174.700 0.163 0.000 1.113 29 T CA -0.403 61.727 62.100 0.049 0.000 1.008 29 T CB 1.278 70.133 68.868 -0.022 0.000 1.259 29 T HN 1.491 nan 8.240 nan 0.000 0.520 30 F N -1.543 118.413 119.950 0.010 0.000 2.626 30 F HA 0.866 5.393 4.527 0.000 0.000 0.311 30 F C -0.634 175.156 175.800 -0.016 0.000 1.088 30 F CA -1.231 56.775 58.000 0.011 0.000 0.949 30 F CB 1.404 40.415 39.000 0.019 0.000 1.322 30 F HN 0.788 nan 8.300 nan 0.000 0.461 31 E N 0.901 121.187 120.200 0.144 0.000 2.250 31 E HA 0.715 5.065 4.350 0.000 0.000 0.269 31 E C -1.550 174.959 176.600 -0.151 0.000 1.018 31 E CA -1.025 55.297 56.400 -0.130 0.000 0.873 31 E CB 2.054 31.610 29.700 -0.240 0.000 1.134 31 E HN 0.597 nan 8.360 nan 0.000 0.403 32 V N 3.218 122.909 119.914 -0.372 0.000 2.656 32 V HA 0.451 4.571 4.120 0.000 0.000 0.307 32 V C -1.069 174.798 176.094 -0.379 0.000 1.051 32 V CA -0.717 61.482 62.300 -0.169 0.000 0.893 32 V CB 1.185 33.031 31.823 0.038 0.000 0.999 32 V HN 0.524 nan 8.190 nan 0.000 0.426 33 F N 1.191 121.196 119.950 0.093 0.000 2.546 33 F HA 0.450 4.977 4.527 0.000 0.000 0.320 33 F C 0.297 176.106 175.800 0.016 0.000 1.076 33 F CA -0.794 57.234 58.000 0.046 0.000 0.928 33 F CB 1.402 40.414 39.000 0.020 0.000 1.189 33 F HN 0.423 nan 8.300 nan 0.000 0.465 34 D N 4.486 124.983 120.400 0.161 0.000 2.346 34 D HA 0.098 4.738 4.640 0.000 0.000 0.260 34 D C -1.575 174.723 176.300 -0.005 0.000 1.252 34 D CA -1.816 52.216 54.000 0.054 0.000 0.895 34 D CB 1.393 42.202 40.800 0.015 0.000 1.097 34 D HN 0.180 nan 8.370 nan 0.000 0.489 35 P HA -0.059 nan 4.420 nan 0.000 0.226 35 P C 0.807 177.967 177.300 -0.233 0.000 1.153 35 P CA 0.468 63.492 63.100 -0.126 0.000 0.777 35 P CB 0.324 31.930 31.700 -0.156 0.000 0.794 36 A N 0.353 123.046 122.820 -0.212 0.000 1.903 36 A HA -0.038 4.282 4.320 0.000 0.000 0.213 36 A C 2.109 179.559 177.584 -0.223 0.000 1.185 36 A CA 2.193 54.108 52.037 -0.203 0.000 0.628 36 A CB -1.219 17.804 19.000 0.038 0.000 0.830 36 A HN 0.356 nan 8.150 nan 0.000 0.446 37 T N -6.335 108.017 114.554 -0.336 0.000 2.964 37 T HA 0.445 4.796 4.350 0.000 0.000 0.249 37 T C 1.425 175.768 174.700 -0.596 0.000 1.000 37 T CA 1.111 62.899 62.100 -0.520 0.000 0.992 37 T CB 0.516 69.300 68.868 -0.140 0.000 1.087 37 T HN 1.670 nan 8.240 nan 0.000 0.489 38 G N 2.553 111.190 108.800 -0.271 0.000 2.175 38 G HA2 -0.234 3.726 3.960 0.000 0.000 0.244 38 G HA3 -0.234 3.726 3.960 0.000 0.000 0.244 38 G C -0.131 174.855 174.900 0.144 0.000 0.982 38 G CA 0.052 45.137 45.100 -0.025 0.000 0.641 38 G HN 0.995 nan 8.290 nan 0.000 0.527 39 E N 0.817 121.070 120.200 0.088 0.000 2.384 39 E HA 0.462 4.812 4.350 0.000 0.000 0.266 39 E C 0.278 176.966 176.600 0.147 0.000 1.012 39 E CA 0.172 56.639 56.400 0.112 0.000 0.901 39 E CB 1.145 30.871 29.700 0.043 0.000 0.967 39 E HN 0.226 nan 8.360 nan 0.000 0.435 40 S N 1.652 117.422 115.700 0.117 0.000 2.515 40 S HA 0.101 4.571 4.470 0.000 0.000 0.285 40 S C 0.821 175.363 174.600 -0.096 0.000 1.265 40 S CA -0.004 58.139 58.200 -0.095 0.000 1.079 40 S CB 0.120 63.247 63.200 -0.122 0.000 0.877 40 S HN 0.591 nan 8.310 nan 0.000 0.493 41 L N 3.781 124.931 121.223 -0.121 0.000 2.591 41 L HA 0.605 4.945 4.340 0.000 0.000 0.228 41 L C 1.365 178.220 176.870 -0.025 0.000 1.133 41 L CA 0.784 55.582 54.840 -0.069 0.000 0.880 41 L CB -1.843 40.206 42.059 -0.016 0.000 1.033 41 L HN 1.283 nan 8.230 nan 0.000 0.450 42 G N -1.404 107.384 108.800 -0.020 0.000 2.362 42 G HA2 0.353 4.313 3.960 0.000 0.000 0.517 42 G HA3 0.353 4.313 3.960 0.000 0.000 0.517 42 G C -0.160 174.785 174.900 0.075 0.000 1.256 42 G CA 0.338 45.486 45.100 0.080 0.000 1.027 42 G HN 1.568 nan 8.290 nan 0.000 0.491 43 T N -2.198 112.442 114.554 0.144 0.000 2.887 43 T HA 0.913 5.263 4.350 0.000 0.000 0.288 43 T C 0.043 174.776 174.700 0.054 0.000 1.021 43 T CA -0.021 62.084 62.100 0.007 0.000 1.000 43 T CB 1.725 70.558 68.868 -0.057 0.000 1.034 43 T HN 2.223 nan 8.240 nan 0.000 0.467 44 V N -1.878 117.865 119.914 -0.285 0.000 3.040 44 V HA 0.824 4.944 4.120 0.000 0.000 0.312 44 V C -3.217 172.643 176.094 -0.391 0.000 1.115 44 V CA -3.329 58.763 62.300 -0.347 0.000 0.998 44 V CB 1.473 32.949 31.823 -0.579 0.000 1.042 44 V HN 0.694 nan 8.190 nan 0.000 0.433 45 P HA 0.209 nan 4.420 nan 0.000 0.267 45 P C -1.014 176.308 177.300 0.036 0.000 1.200 45 P CA -0.015 63.054 63.100 -0.052 0.000 0.772 45 P CB 0.344 32.055 31.700 0.018 0.000 0.855 46 K N 3.782 124.276 120.400 0.157 0.000 2.533 46 K HA 0.304 4.624 4.320 0.000 0.000 0.207 46 K C -0.301 176.392 176.600 0.154 0.000 1.052 46 K CA -0.198 56.270 56.287 0.302 0.000 1.030 46 K CB -0.220 32.496 32.500 0.361 0.000 1.522 46 K HN 0.414 nan 8.250 nan 0.000 0.543 47 M N 0.526 120.202 119.600 0.127 0.000 2.245 47 M HA 0.457 4.937 4.480 0.000 0.000 0.292 47 M C 0.835 177.168 176.300 0.056 0.000 1.176 47 M CA -0.524 54.820 55.300 0.072 0.000 1.035 47 M CB 1.299 33.932 32.600 0.054 0.000 1.440 47 M HN 0.561 nan 8.290 nan 0.000 0.494 48 G N -0.721 108.099 108.800 0.032 0.000 3.265 48 G HA2 0.562 4.523 3.960 0.000 0.000 0.171 48 G HA3 0.562 4.523 3.960 0.000 0.000 0.171 48 G C 0.453 175.357 174.900 0.007 0.000 1.110 48 G CA 0.152 45.263 45.100 0.018 0.000 0.855 48 G HN 0.716 nan 8.290 nan 0.000 0.658 49 A N 0.019 122.840 122.820 0.002 0.000 1.851 49 A HA 0.222 4.542 4.320 0.000 0.000 0.216 49 A C 2.777 180.357 177.584 -0.007 0.000 1.195 49 A CA 3.353 55.388 52.037 -0.004 0.000 0.622 49 A CB -1.269 17.728 19.000 -0.006 0.000 0.831 49 A HN 1.556 nan 8.150 nan 0.000 0.444 50 A N -0.231 122.586 122.820 -0.004 0.000 1.883 50 A HA -0.206 4.114 4.320 0.000 0.000 0.217 50 A C 1.883 179.460 177.584 -0.012 0.000 1.186 50 A CA 2.143 54.176 52.037 -0.007 0.000 0.624 50 A CB -0.668 18.330 19.000 -0.003 0.000 0.822 50 A HN 0.579 nan 8.150 nan 0.000 0.444 51 E N -0.545 119.649 120.200 -0.009 0.000 2.072 51 E HA -0.084 4.266 4.350 0.000 0.000 0.191 51 E C 2.091 178.675 176.600 -0.027 0.000 0.985 51 E CA 1.667 58.057 56.400 -0.017 0.000 0.801 51 E CB -0.593 29.103 29.700 -0.006 0.000 0.750 51 E HN 0.607 nan 8.360 nan 0.000 0.452 52 T N 0.794 115.337 114.554 -0.019 0.000 2.674 52 T HA -0.196 4.154 4.350 0.000 0.000 0.265 52 T C 2.046 176.726 174.700 -0.033 0.000 1.039 52 T CA 1.423 63.508 62.100 -0.025 0.000 1.150 52 T CB -0.525 68.334 68.868 -0.016 0.000 0.864 52 T HN 0.302 nan 8.240 nan 0.000 0.427 53 A N 1.762 124.566 122.820 -0.026 0.000 1.917 53 A HA -0.218 4.102 4.320 0.000 0.000 0.219 53 A C 2.386 179.950 177.584 -0.034 0.000 1.182 53 A CA 1.930 53.951 52.037 -0.027 0.000 0.633 53 A CB -0.605 18.383 19.000 -0.020 0.000 0.819 53 A HN 0.426 nan 8.150 nan 0.000 0.448 54 R N -0.797 119.681 120.500 -0.037 0.000 2.075 54 R HA -0.035 4.305 4.340 0.000 0.000 0.232 54 R C 2.507 178.767 176.300 -0.066 0.000 1.126 54 R CA 1.205 57.277 56.100 -0.046 0.000 0.963 54 R CB -0.448 29.824 30.300 -0.046 0.000 0.858 54 R HN 0.530 nan 8.270 nan 0.000 0.435 55 A N 0.991 123.765 122.820 -0.076 0.000 1.902 55 A HA -0.159 4.161 4.320 0.000 0.000 0.217 55 A C 2.117 179.648 177.584 -0.089 0.000 1.181 55 A CA 1.309 53.285 52.037 -0.102 0.000 0.623 55 A CB -0.495 18.445 19.000 -0.100 0.000 0.818 55 A HN 0.193 nan 8.150 nan 0.000 0.443 56 I N -0.742 119.788 120.570 -0.067 0.000 2.179 56 I HA -0.267 3.903 4.170 0.000 0.000 0.242 56 I C 2.518 178.605 176.117 -0.050 0.000 1.088 56 I CA 1.811 63.074 61.300 -0.061 0.000 1.357 56 I CB -0.404 37.567 38.000 -0.048 0.000 1.051 56 I HN 0.317 nan 8.210 nan 0.000 0.409 57 E N 0.773 120.950 120.200 -0.039 0.000 2.085 57 E HA -0.222 4.128 4.350 0.000 0.000 0.194 57 E C 2.267 178.851 176.600 -0.025 0.000 0.994 57 E CA 1.577 57.963 56.400 -0.023 0.000 0.801 57 E CB -0.252 29.436 29.700 -0.020 0.000 0.743 57 E HN 0.502 nan 8.360 nan 0.000 0.453 58 A N 0.593 123.382 122.820 -0.052 0.000 1.972 58 A HA -0.087 4.233 4.320 0.000 0.000 0.219 58 A C 2.284 179.833 177.584 -0.059 0.000 1.169 58 A CA 1.669 53.668 52.037 -0.064 0.000 0.635 58 A CB -0.602 18.332 19.000 -0.109 0.000 0.810 58 A HN 0.308 nan 8.150 nan 0.000 0.446 59 A N -0.720 122.059 122.820 -0.069 0.000 1.929 59 A HA -0.146 4.174 4.320 0.000 0.000 0.216 59 A C 2.162 179.748 177.584 0.003 0.000 1.176 59 A CA 1.646 53.640 52.037 -0.070 0.000 0.628 59 A CB -0.515 18.418 19.000 -0.111 0.000 0.816 59 A HN 0.646 nan 8.150 nan 0.000 0.444 60 Q N -0.326 119.487 119.800 0.021 0.000 2.124 60 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 60 Q C 2.061 178.163 176.000 0.169 0.000 0.977 60 Q CA 1.705 57.576 55.803 0.114 0.000 0.850 60 Q CB -0.358 28.428 28.738 0.080 0.000 0.901 60 Q HN 0.575 nan 8.270 nan 0.000 0.429 61 A N 0.402 123.277 122.820 0.092 0.000 1.969 61 A HA -0.004 4.316 4.320 0.000 0.000 0.218 61 A C 2.188 179.835 177.584 0.105 0.000 1.169 61 A CA 1.410 53.495 52.037 0.081 0.000 0.635 61 A CB -0.742 18.280 19.000 0.036 0.000 0.810 61 A HN 0.539 nan 8.150 nan 0.000 0.445 62 A N -2.015 120.868 122.820 0.104 0.000 2.119 62 A HA 0.023 4.343 4.320 0.000 0.000 0.216 62 A C 1.757 179.499 177.584 0.263 0.000 1.152 62 A CA 1.081 53.191 52.037 0.121 0.000 0.708 62 A CB -0.620 18.397 19.000 0.027 0.000 0.805 62 A HN 0.767 nan 8.150 nan 0.000 0.460 63 W N 1.115 122.457 121.300 0.071 0.000 2.329 63 W HA -0.194 4.466 4.660 0.000 0.000 0.324 63 W C 2.447 179.054 176.519 0.147 0.000 1.222 63 W CA 1.817 59.239 57.345 0.128 0.000 1.270 63 W CB -0.924 28.588 29.460 0.087 0.000 1.167 63 W HN 0.340 nan 8.180 nan 0.000 0.467 64 A N 0.513 123.349 122.820 0.025 0.000 1.986 64 A HA -0.131 4.190 4.320 0.000 0.000 0.220 64 A C 2.266 179.821 177.584 -0.050 0.000 1.171 64 A CA 2.507 54.444 52.037 -0.165 0.000 0.640 64 A CB -1.561 17.367 19.000 -0.120 0.000 0.811 64 A HN 0.447 nan 8.150 nan 0.000 0.451 65 G N -1.856 106.984 108.800 0.067 0.000 2.394 65 G HA2 -0.241 3.719 3.960 0.000 0.000 0.214 65 G HA3 -0.241 3.719 3.960 0.000 0.000 0.214 65 G C 1.530 176.520 174.900 0.149 0.000 1.176 65 G CA 0.790 45.945 45.100 0.092 0.000 0.786 65 G HN 0.686 nan 8.290 nan 0.000 0.533 66 W N 2.757 124.090 121.300 0.055 0.000 2.388 66 W HA -0.099 4.561 4.660 0.000 0.000 0.294 66 W C 2.603 179.172 176.519 0.084 0.000 1.212 66 W CA 1.382 58.780 57.345 0.087 0.000 1.271 66 W CB 0.086 29.634 29.460 0.147 0.000 1.126 66 W HN 0.329 nan 8.180 nan 0.000 0.535 67 R N 0.226 120.776 120.500 0.084 0.000 2.236 67 R HA -0.073 4.267 4.340 0.000 0.000 0.208 67 R C 2.009 178.222 176.300 -0.144 0.000 1.036 67 R CA 1.202 57.266 56.100 -0.059 0.000 1.001 67 R CB -0.858 29.379 30.300 -0.106 0.000 0.896 67 R HN 0.214 nan 8.270 nan 0.000 0.464 68 M N 0.952 120.475 119.600 -0.127 0.000 2.561 68 M HA 0.155 4.635 4.480 0.000 0.000 0.238 68 M C -0.345 175.881 176.300 -0.123 0.000 1.131 68 M CA 0.349 55.581 55.300 -0.114 0.000 1.046 68 M CB 0.426 32.975 32.600 -0.085 0.000 1.532 68 M HN 0.005 nan 8.290 nan 0.000 0.497 69 K N 1.294 121.583 120.400 -0.183 0.000 2.168 69 K HA 0.125 4.445 4.320 0.000 0.000 0.258 69 K C 0.419 176.897 176.600 -0.204 0.000 1.010 69 K CA -0.036 56.126 56.287 -0.210 0.000 0.929 69 K CB 0.684 32.985 32.500 -0.332 0.000 0.998 69 K HN 0.191 nan 8.250 nan 0.000 0.479 70 T N -1.601 112.859 114.554 -0.157 0.000 2.899 70 T HA 0.217 4.567 4.350 0.000 0.000 0.295 70 T C 1.303 175.910 174.700 -0.155 0.000 1.033 70 T CA -0.342 61.680 62.100 -0.129 0.000 1.084 70 T CB 1.484 70.299 68.868 -0.088 0.000 0.979 70 T HN 0.564 nan 8.240 nan 0.000 0.532 71 A N 1.579 124.326 122.820 -0.122 0.000 1.986 71 A HA -0.117 4.203 4.320 0.000 0.000 0.220 71 A C 2.366 179.895 177.584 -0.091 0.000 1.171 71 A CA 1.867 53.840 52.037 -0.108 0.000 0.640 71 A CB -0.866 18.092 19.000 -0.070 0.000 0.811 71 A HN 0.953 nan 8.150 nan 0.000 0.451 72 K N -0.507 119.847 120.400 -0.077 0.000 2.097 72 K HA -0.156 4.164 4.320 0.000 0.000 0.205 72 K C 1.914 178.483 176.600 -0.052 0.000 1.050 72 K CA 1.577 57.831 56.287 -0.056 0.000 0.938 72 K CB -0.133 32.339 32.500 -0.048 0.000 0.718 72 K HN 0.645 nan 8.250 nan 0.000 0.442 73 E N -0.091 120.063 120.200 -0.076 0.000 2.106 73 E HA -0.145 4.205 4.350 0.000 0.000 0.192 73 E C 2.071 178.626 176.600 -0.074 0.000 0.984 73 E CA 0.997 57.355 56.400 -0.069 0.000 0.806 73 E CB 0.140 29.785 29.700 -0.091 0.000 0.750 73 E HN 0.229 nan 8.360 nan 0.000 0.458 74 R N 0.213 120.622 120.500 -0.151 0.000 2.090 74 R HA 0.007 4.348 4.340 0.000 0.000 0.228 74 R C 2.314 178.642 176.300 0.046 0.000 1.110 74 R CA 0.918 56.933 56.100 -0.141 0.000 0.973 74 R CB -0.192 29.903 30.300 -0.342 0.000 0.869 74 R HN 0.076 nan 8.270 nan 0.000 0.440 75 A N 1.375 124.205 122.820 0.015 0.000 2.019 75 A HA -0.073 4.247 4.320 0.000 0.000 0.219 75 A C 2.302 179.928 177.584 0.070 0.000 1.164 75 A CA 1.574 53.637 52.037 0.043 0.000 0.644 75 A CB -0.381 18.615 19.000 -0.006 0.000 0.805 75 A HN 0.383 nan 8.150 nan 0.000 0.449 76 A N 0.117 122.974 122.820 0.062 0.000 1.854 76 A HA 0.002 4.322 4.320 0.000 0.000 0.214 76 A C 2.067 179.730 177.584 0.131 0.000 1.192 76 A CA 1.349 53.434 52.037 0.080 0.000 0.611 76 A CB -0.564 18.468 19.000 0.054 0.000 0.832 76 A HN 0.451 nan 8.150 nan 0.000 0.442 77 I N -0.261 120.403 120.570 0.157 0.000 2.208 77 I HA -0.267 3.903 4.170 0.000 0.000 0.245 77 I C 2.333 178.620 176.117 0.283 0.000 1.097 77 I CA 1.190 62.618 61.300 0.213 0.000 1.363 77 I CB -0.287 37.879 38.000 0.277 0.000 1.051 77 I HN 0.265 nan 8.210 nan 0.000 0.413 78 L N -0.005 121.407 121.223 0.316 0.000 2.156 78 L HA -0.140 4.200 4.340 0.000 0.000 0.208 78 L C 2.705 179.786 176.870 0.352 0.000 1.095 78 L CA 0.948 56.032 54.840 0.407 0.000 0.770 78 L CB -0.417 41.860 42.059 0.363 0.000 0.914 78 L HN 0.181 nan 8.230 nan 0.000 0.439 79 R N 0.182 120.828 120.500 0.244 0.000 2.092 79 R HA -0.106 4.234 4.340 0.000 0.000 0.231 79 R C 2.436 178.920 176.300 0.306 0.000 1.119 79 R CA 1.072 57.316 56.100 0.240 0.000 0.970 79 R CB 0.006 30.390 30.300 0.141 0.000 0.864 79 R HN 0.222 nan 8.270 nan 0.000 0.440 80 R N -0.780 119.871 120.500 0.252 0.000 2.096 80 R HA -0.189 4.151 4.340 0.000 0.000 0.235 80 R C 1.915 178.384 176.300 0.281 0.000 1.127 80 R CA 1.492 57.723 56.100 0.217 0.000 0.968 80 R CB -0.463 29.935 30.300 0.162 0.000 0.861 80 R HN 0.352 nan 8.270 nan 0.000 0.440 81 W N 1.401 122.771 121.300 0.117 0.000 2.355 81 W HA -0.232 4.428 4.660 0.000 0.000 0.309 81 W C 1.905 178.503 176.519 0.130 0.000 1.206 81 W CA 0.866 58.272 57.345 0.101 0.000 1.284 81 W CB -1.001 28.527 29.460 0.112 0.000 1.145 81 W HN -0.011 nan 8.180 nan 0.000 0.502 82 F N 2.285 122.263 119.950 0.047 0.000 2.043 82 F HA -0.347 4.180 4.527 0.000 0.000 0.297 82 F C 2.173 177.961 175.800 -0.019 0.000 1.118 82 F CA 2.851 60.800 58.000 -0.085 0.000 1.202 82 F CB -0.966 38.015 39.000 -0.032 0.000 0.965 82 F HN -0.191 nan 8.300 nan 0.000 0.482 83 D N 0.848 121.178 120.400 -0.117 0.000 2.133 83 D HA -0.239 4.401 4.640 0.000 0.000 0.192 83 D C 2.439 178.644 176.300 -0.159 0.000 1.001 83 D CA 2.049 55.924 54.000 -0.208 0.000 0.844 83 D CB -0.798 40.011 40.800 0.014 0.000 0.944 83 D HN 0.384 nan 8.370 nan 0.000 0.447 84 L N 0.424 121.636 121.223 -0.018 0.000 2.261 84 L HA -0.146 4.194 4.340 0.000 0.000 0.216 84 L C 2.438 179.303 176.870 -0.008 0.000 1.114 84 L CA 0.391 55.243 54.840 0.021 0.000 0.777 84 L CB -0.055 42.074 42.059 0.116 0.000 0.910 84 L HN -0.050 nan 8.230 nan 0.000 0.440 85 V N -0.714 119.153 119.914 -0.079 0.000 2.535 85 V HA -0.177 3.943 4.120 0.000 0.000 0.246 85 V C 2.298 178.304 176.094 -0.148 0.000 1.045 85 V CA 0.927 63.167 62.300 -0.099 0.000 1.058 85 V CB -0.079 31.637 31.823 -0.177 0.000 0.689 85 V HN 0.236 nan 8.190 nan 0.000 0.461 86 I N 0.942 121.343 120.570 -0.283 0.000 2.179 86 I HA -0.210 3.961 4.170 0.000 0.000 0.242 86 I C 2.746 178.778 176.117 -0.142 0.000 1.088 86 I CA 2.025 63.167 61.300 -0.263 0.000 1.357 86 I CB -1.480 36.254 38.000 -0.442 0.000 1.051 86 I HN 0.311 nan 8.210 nan 0.000 0.409 87 A N 1.077 123.823 122.820 -0.123 0.000 1.902 87 A HA -0.160 4.160 4.320 0.000 0.000 0.217 87 A C 1.677 179.239 177.584 -0.038 0.000 1.181 87 A CA 1.460 53.458 52.037 -0.066 0.000 0.623 87 A CB -0.701 18.269 19.000 -0.050 0.000 0.818 87 A HN 0.519 nan 8.150 nan 0.000 0.443 88 N N 0.160 118.842 118.700 -0.029 0.000 2.389 88 N HA 0.061 4.802 4.740 0.000 0.000 0.237 88 N C 0.988 176.500 175.510 0.002 0.000 1.148 88 N CA 0.491 53.539 53.050 -0.003 0.000 0.854 88 N CB 0.507 39.004 38.487 0.017 0.000 1.115 88 N HN 0.439 nan 8.380 nan 0.000 0.492 89 S N 1.749 117.441 115.700 -0.013 0.000 2.343 89 S HA -0.143 4.327 4.470 0.000 0.000 0.219 89 S C 1.371 175.977 174.600 0.011 0.000 1.033 89 S CA 1.227 59.424 58.200 -0.005 0.000 1.014 89 S CB 0.070 63.259 63.200 -0.018 0.000 0.915 89 S HN 0.260 nan 8.310 nan 0.000 0.435 90 D N 1.360 121.764 120.400 0.007 0.000 2.133 90 D HA -0.112 4.528 4.640 0.000 0.000 0.195 90 D C 1.706 178.013 176.300 0.013 0.000 0.997 90 D CA 1.191 55.197 54.000 0.010 0.000 0.840 90 D CB -0.570 40.233 40.800 0.005 0.000 0.947 90 D HN 0.486 nan 8.370 nan 0.000 0.452 91 D N 0.486 120.894 120.400 0.013 0.000 2.078 91 D HA -0.086 4.554 4.640 0.000 0.000 0.193 91 D C 2.506 178.820 176.300 0.023 0.000 0.990 91 D CA 0.460 54.469 54.000 0.014 0.000 0.827 91 D CB -0.370 40.442 40.800 0.019 0.000 0.975 91 D HN 0.217 nan 8.370 nan 0.000 0.451 92 L N 1.069 122.315 121.223 0.039 0.000 2.081 92 L HA -0.210 4.130 4.340 0.000 0.000 0.212 92 L C 2.645 179.546 176.870 0.053 0.000 1.080 92 L CA 1.215 56.089 54.840 0.057 0.000 0.754 92 L CB -0.499 41.603 42.059 0.071 0.000 0.893 92 L HN -0.026 nan 8.230 nan 0.000 0.433 93 A N -0.047 122.798 122.820 0.042 0.000 1.902 93 A HA -0.222 4.098 4.320 0.000 0.000 0.217 93 A C 2.220 179.822 177.584 0.030 0.000 1.181 93 A CA 1.796 53.856 52.037 0.039 0.000 0.623 93 A CB -0.669 18.350 19.000 0.033 0.000 0.818 93 A HN 0.319 nan 8.150 nan 0.000 0.443 94 L N 0.003 121.237 121.223 0.019 0.000 2.093 94 L HA -0.049 4.291 4.340 0.000 0.000 0.208 94 L C 2.209 179.080 176.870 0.001 0.000 1.085 94 L CA 1.498 56.343 54.840 0.007 0.000 0.755 94 L CB -0.488 41.568 42.059 -0.004 0.000 0.904 94 L HN 0.445 nan 8.230 nan 0.000 0.435 95 I N -1.181 119.391 120.570 0.003 0.000 2.179 95 I HA -0.339 3.832 4.170 0.000 0.000 0.242 95 I C 2.487 178.631 176.117 0.045 0.000 1.088 95 I CA 1.463 62.762 61.300 -0.001 0.000 1.357 95 I CB -0.329 37.679 38.000 0.014 0.000 1.051 95 I HN 0.293 nan 8.210 nan 0.000 0.409 96 L N 0.216 121.475 121.223 0.060 0.000 2.017 96 L HA -0.246 4.094 4.340 0.000 0.000 0.208 96 L C 2.636 179.537 176.870 0.052 0.000 1.073 96 L CA 1.759 56.641 54.840 0.071 0.000 0.745 96 L CB -0.351 41.747 42.059 0.064 0.000 0.894 96 L HN 0.224 nan 8.230 nan 0.000 0.432 97 T N -1.202 113.373 114.554 0.034 0.000 2.788 97 T HA -0.177 4.173 4.350 0.000 0.000 0.268 97 T C 1.701 176.416 174.700 0.024 0.000 1.044 97 T CA 1.875 63.990 62.100 0.026 0.000 1.139 97 T CB -0.233 68.649 68.868 0.023 0.000 0.867 97 T HN 0.452 nan 8.240 nan 0.000 0.454 98 T N 2.203 116.768 114.554 0.019 0.000 2.777 98 T HA -0.112 4.238 4.350 0.000 0.000 0.266 98 T C 2.033 176.755 174.700 0.037 0.000 1.040 98 T CA 1.518 63.624 62.100 0.010 0.000 1.141 98 T CB -0.209 68.642 68.868 -0.028 0.000 0.868 98 T HN 0.752 nan 8.240 nan 0.000 0.444 99 E N 0.359 120.607 120.200 0.080 0.000 2.140 99 E HA -0.014 4.336 4.350 0.000 0.000 0.191 99 E C 2.293 178.942 176.600 0.081 0.000 0.973 99 E CA 0.457 56.936 56.400 0.132 0.000 0.829 99 E CB -0.108 29.745 29.700 0.255 0.000 0.781 99 E HN 0.251 nan 8.360 nan 0.000 0.466 100 Q N 0.254 120.095 119.800 0.069 0.000 2.304 100 Q HA 0.063 4.403 4.340 0.000 0.000 0.204 100 Q C 1.310 177.316 176.000 0.010 0.000 0.936 100 Q CA 1.563 57.402 55.803 0.060 0.000 0.878 100 Q CB 1.057 29.853 28.738 0.097 0.000 0.983 100 Q HN 0.488 nan 8.270 nan 0.000 0.516 101 G N 1.566 110.369 108.800 0.004 0.000 2.278 101 G HA2 -0.240 3.720 3.960 0.000 0.000 0.210 101 G HA3 -0.240 3.720 3.960 0.000 0.000 0.210 101 G C -0.010 174.893 174.900 0.006 0.000 1.000 101 G CA 0.158 45.246 45.100 -0.020 0.000 0.635 101 G HN 0.417 nan 8.290 nan 0.000 0.495 102 K N 1.323 121.727 120.400 0.007 0.000 2.380 102 K HA 0.444 4.764 4.320 0.000 0.000 0.267 102 K C -2.543 174.071 176.600 0.024 0.000 0.990 102 K CA -1.068 55.224 56.287 0.008 0.000 0.946 102 K CB 0.315 32.792 32.500 -0.038 0.000 0.937 102 K HN 0.098 nan 8.250 nan 0.000 0.491 103 P HA -0.095 nan 4.420 nan 0.000 0.267 103 P C 0.853 178.171 177.300 0.029 0.000 1.201 103 P CA -0.065 63.058 63.100 0.038 0.000 0.775 103 P CB 0.426 32.150 31.700 0.040 0.000 0.854 104 L N 1.811 123.051 121.223 0.029 0.000 2.043 104 L HA -0.314 4.026 4.340 0.000 0.000 0.212 104 L C 2.196 179.082 176.870 0.028 0.000 1.075 104 L CA 2.318 57.174 54.840 0.026 0.000 0.752 104 L CB -0.857 41.215 42.059 0.022 0.000 0.891 104 L HN 0.463 nan 8.230 nan 0.000 0.432 105 A N -0.406 122.431 122.820 0.028 0.000 1.877 105 A HA -0.240 4.080 4.320 0.000 0.000 0.216 105 A C 2.079 179.686 177.584 0.037 0.000 1.186 105 A CA 1.758 53.813 52.037 0.031 0.000 0.620 105 A CB -0.443 18.574 19.000 0.028 0.000 0.822 105 A HN 0.481 nan 8.150 nan 0.000 0.443 106 E N -0.449 119.773 120.200 0.035 0.000 2.150 106 E HA -0.041 4.309 4.350 0.000 0.000 0.193 106 E C 2.256 178.879 176.600 0.038 0.000 0.985 106 E CA 0.746 57.167 56.400 0.036 0.000 0.814 106 E CB -0.227 29.486 29.700 0.022 0.000 0.752 106 E HN 0.627 nan 8.360 nan 0.000 0.466 107 A N 1.508 124.345 122.820 0.030 0.000 1.898 107 A HA -0.188 4.132 4.320 0.000 0.000 0.216 107 A C 1.944 179.564 177.584 0.061 0.000 1.181 107 A CA 1.276 53.335 52.037 0.037 0.000 0.620 107 A CB -0.182 18.836 19.000 0.030 0.000 0.819 107 A HN 0.016 nan 8.150 nan 0.000 0.442 108 K N -0.675 119.756 120.400 0.052 0.000 2.026 108 K HA -0.081 4.239 4.320 0.000 0.000 0.208 108 K C 2.164 178.809 176.600 0.075 0.000 1.048 108 K CA 1.052 57.371 56.287 0.054 0.000 0.929 108 K CB -0.503 32.020 32.500 0.039 0.000 0.713 108 K HN 0.455 nan 8.250 nan 0.000 0.439 109 G N 1.392 110.239 108.800 0.078 0.000 2.491 109 G HA2 -0.358 3.603 3.960 0.000 0.000 0.218 109 G HA3 -0.358 3.603 3.960 0.000 0.000 0.218 109 G C 1.347 176.348 174.900 0.168 0.000 1.180 109 G CA 1.227 46.387 45.100 0.100 0.000 0.774 109 G HN 0.438 nan 8.290 nan 0.000 0.562 110 E N -0.122 120.197 120.200 0.198 0.000 2.118 110 E HA -0.136 4.214 4.350 0.000 0.000 0.195 110 E C 2.500 179.280 176.600 0.300 0.000 0.992 110 E CA 0.787 57.386 56.400 0.332 0.000 0.804 110 E CB -0.093 29.788 29.700 0.301 0.000 0.741 110 E HN 0.382 nan 8.360 nan 0.000 0.458 111 I N 1.143 121.822 120.570 0.183 0.000 2.202 111 I HA -0.206 3.964 4.170 0.000 0.000 0.242 111 I C 2.640 178.827 176.117 0.118 0.000 1.091 111 I CA 1.258 62.636 61.300 0.129 0.000 1.368 111 I CB -1.618 36.428 38.000 0.077 0.000 1.058 111 I HN 0.161 nan 8.210 nan 0.000 0.410 112 A N 0.307 123.198 122.820 0.117 0.000 1.917 112 A HA -0.302 4.018 4.320 0.000 0.000 0.219 112 A C 2.372 180.048 177.584 0.153 0.000 1.182 112 A CA 1.797 53.898 52.037 0.108 0.000 0.633 112 A CB -1.213 17.844 19.000 0.094 0.000 0.819 112 A HN 0.485 nan 8.150 nan 0.000 0.448 113 Y N 0.588 120.919 120.300 0.052 0.000 2.145 113 Y HA -0.095 4.455 4.550 0.000 0.000 0.286 113 Y C 2.690 178.657 175.900 0.111 0.000 1.145 113 Y CA 1.162 59.280 58.100 0.031 0.000 1.148 113 Y CB -0.758 37.755 38.460 0.089 0.000 0.981 113 Y HN 0.306 nan 8.280 nan 0.000 0.507 114 A N 0.405 123.323 122.820 0.163 0.000 1.933 114 A HA -0.111 4.209 4.320 0.000 0.000 0.218 114 A C 2.460 180.076 177.584 0.052 0.000 1.175 114 A CA 1.964 54.064 52.037 0.106 0.000 0.628 114 A CB -1.489 17.572 19.000 0.101 0.000 0.814 114 A HN 0.597 nan 8.150 nan 0.000 0.444 115 A N 0.287 123.140 122.820 0.055 0.000 1.883 115 A HA -0.140 4.180 4.320 0.000 0.000 0.217 115 A C 2.561 180.268 177.584 0.206 0.000 1.186 115 A CA 2.528 54.637 52.037 0.120 0.000 0.624 115 A CB -1.082 17.974 19.000 0.092 0.000 0.822 115 A HN 1.077 nan 8.150 nan 0.000 0.444 116 S N -1.050 114.679 115.700 0.049 0.000 2.382 116 S HA -0.152 4.318 4.470 0.000 0.000 0.228 116 S C 1.741 176.232 174.600 -0.181 0.000 1.027 116 S CA 1.542 59.682 58.200 -0.101 0.000 0.991 116 S CB -0.747 62.310 63.200 -0.238 0.000 0.823 116 S HN 0.351 nan 8.310 nan 0.000 0.469 117 F N 1.743 121.627 119.950 -0.109 0.000 2.186 117 F HA 0.174 4.701 4.527 0.000 0.000 0.299 117 F C 2.167 178.042 175.800 0.124 0.000 1.090 117 F CA 0.612 58.599 58.000 -0.021 0.000 1.307 117 F CB -0.523 38.431 39.000 -0.077 0.000 1.019 117 F HN 0.211 nan 8.300 nan 0.000 0.489 118 I N -0.233 120.440 120.570 0.171 0.000 2.202 118 I HA -0.275 3.895 4.170 0.000 0.000 0.242 118 I C 2.493 178.648 176.117 0.063 0.000 1.091 118 I CA 1.681 63.014 61.300 0.055 0.000 1.368 118 I CB -0.526 37.341 38.000 -0.222 0.000 1.058 118 I HN 0.148 nan 8.210 nan 0.000 0.410 119 E N 1.051 121.198 120.200 -0.088 0.000 2.051 119 E HA -0.287 4.063 4.350 0.000 0.000 0.192 119 E C 2.249 178.755 176.600 -0.156 0.000 0.991 119 E CA 1.518 57.709 56.400 -0.349 0.000 0.799 119 E CB -0.369 28.853 29.700 -0.796 0.000 0.748 119 E HN 0.562 nan 8.360 nan 0.000 0.449 120 W N 0.391 121.522 121.300 -0.282 0.000 2.318 120 W HA -0.266 4.394 4.660 0.000 0.000 0.313 120 W C 1.377 177.694 176.519 -0.336 0.000 1.221 120 W CA 1.380 58.507 57.345 -0.363 0.000 1.266 120 W CB -0.377 28.765 29.460 -0.530 0.000 1.150 120 W HN 0.177 nan 8.180 nan 0.000 0.496 121 F N 0.639 120.620 119.950 0.051 0.000 2.456 121 F HA 0.050 4.577 4.527 0.000 0.000 0.298 121 F C 2.639 178.397 175.800 -0.071 0.000 1.104 121 F CA 1.407 59.392 58.000 -0.025 0.000 1.435 121 F CB -1.301 37.754 39.000 0.093 0.000 1.078 121 F HN -0.120 nan 8.300 nan 0.000 0.546 122 A N 0.170 123.042 122.820 0.088 0.000 1.933 122 A HA -0.198 4.122 4.320 0.000 0.000 0.218 122 A C 2.109 179.650 177.584 -0.072 0.000 1.175 122 A CA 1.859 53.918 52.037 0.037 0.000 0.628 122 A CB -0.623 18.393 19.000 0.026 0.000 0.814 122 A HN 0.423 nan 8.150 nan 0.000 0.444 123 E N -0.652 119.430 120.200 -0.196 0.000 2.072 123 E HA -0.131 4.219 4.350 0.000 0.000 0.190 123 E C 1.988 178.402 176.600 -0.311 0.000 0.982 123 E CA 0.817 57.048 56.400 -0.282 0.000 0.803 123 E CB -0.121 29.335 29.700 -0.406 0.000 0.755 123 E HN 0.441 nan 8.360 nan 0.000 0.453 124 E N 0.447 120.408 120.200 -0.398 0.000 2.118 124 E HA -0.148 4.202 4.350 0.000 0.000 0.195 124 E C 2.211 178.759 176.600 -0.086 0.000 0.992 124 E CA 1.127 57.357 56.400 -0.284 0.000 0.804 124 E CB -0.546 29.030 29.700 -0.207 0.000 0.741 124 E HN 0.364 nan 8.360 nan 0.000 0.458 125 G N 1.295 110.080 108.800 -0.024 0.000 2.462 125 G HA2 -0.271 3.689 3.960 0.000 0.000 0.220 125 G HA3 -0.271 3.689 3.960 0.000 0.000 0.220 125 G C 1.420 176.302 174.900 -0.030 0.000 1.121 125 G CA 0.679 45.782 45.100 0.006 0.000 0.758 125 G HN 0.262 nan 8.290 nan 0.000 0.559 126 K N -0.308 120.053 120.400 -0.064 0.000 2.487 126 K HA 0.158 4.478 4.320 0.000 0.000 0.192 126 K C 1.468 178.027 176.600 -0.068 0.000 1.027 126 K CA 0.088 56.335 56.287 -0.067 0.000 1.054 126 K CB 0.315 32.767 32.500 -0.080 0.000 0.824 126 K HN 0.171 nan 8.250 nan 0.000 0.510 127 R N 0.558 121.016 120.500 -0.070 0.000 2.600 127 R HA 0.143 4.483 4.340 0.000 0.000 0.392 127 R C -0.587 175.690 176.300 -0.040 0.000 1.032 127 R CA -0.151 55.906 56.100 -0.071 0.000 1.139 127 R CB 1.179 31.409 30.300 -0.115 0.000 1.400 127 R HN -0.129 nan 8.270 nan 0.000 0.566 128 V N 2.095 122.003 119.914 -0.010 0.000 2.403 128 V HA 0.266 4.386 4.120 0.000 0.000 0.265 128 V C 0.452 176.553 176.094 0.012 0.000 1.034 128 V CA -0.234 62.079 62.300 0.021 0.000 1.036 128 V CB 0.560 32.413 31.823 0.050 0.000 1.032 128 V HN 0.208 nan 8.190 nan 0.000 0.478 129 A N 4.486 127.310 122.820 0.008 0.000 2.337 129 A HA 0.906 5.227 4.320 0.000 0.000 0.329 129 A C 0.521 178.116 177.584 0.018 0.000 1.146 129 A CA 0.069 52.107 52.037 0.002 0.000 0.800 129 A CB 1.486 20.474 19.000 -0.020 0.000 1.220 129 A HN 0.845 nan 8.150 nan 0.000 0.472 130 G N -0.071 108.741 108.800 0.020 0.000 2.736 130 G HA2 0.603 4.563 3.960 0.000 0.000 0.229 130 G HA3 0.603 4.563 3.960 0.000 0.000 0.229 130 G C -1.022 173.891 174.900 0.021 0.000 1.380 130 G CA -0.406 44.711 45.100 0.029 0.000 1.040 130 G HN 0.648 nan 8.290 nan 0.000 0.568 131 D N -0.536 119.881 120.400 0.028 0.000 2.601 131 D HA 0.505 5.145 4.640 0.000 0.000 0.230 131 D C -0.646 175.671 176.300 0.029 0.000 1.106 131 D CA -0.158 53.855 54.000 0.022 0.000 0.873 131 D CB 1.985 42.796 40.800 0.018 0.000 1.515 131 D HN 0.489 nan 8.370 nan 0.000 0.468 132 T N -0.853 113.714 114.554 0.020 0.000 2.809 132 T HA 0.695 5.045 4.350 0.000 0.000 0.284 132 T C -0.262 174.448 174.700 0.017 0.000 0.992 132 T CA -0.722 61.393 62.100 0.025 0.000 0.957 132 T CB 0.583 69.463 68.868 0.020 0.000 0.942 132 T HN 0.190 nan 8.240 nan 0.000 0.439 133 L N 3.344 124.579 121.223 0.019 0.000 2.319 133 L HA 0.634 4.974 4.340 0.000 0.000 0.267 133 L C -2.279 174.596 176.870 0.009 0.000 1.011 133 L CA -2.755 52.089 54.840 0.006 0.000 0.818 133 L CB 1.913 43.966 42.059 -0.010 0.000 1.316 133 L HN 0.460 nan 8.230 nan 0.000 0.432 134 P HA 0.102 nan 4.420 nan 0.000 0.276 134 P C -0.413 176.890 177.300 0.005 0.000 1.243 134 P CA -0.224 62.879 63.100 0.005 0.000 0.768 134 P CB 0.859 32.560 31.700 0.001 0.000 0.856 135 T N 3.756 118.317 114.554 0.013 0.000 2.919 135 T HA 0.244 4.594 4.350 0.000 0.000 0.302 135 T C -1.276 173.431 174.700 0.011 0.000 1.031 135 T CA -1.276 60.835 62.100 0.018 0.000 1.127 135 T CB -0.080 68.805 68.868 0.028 0.000 0.952 135 T HN 0.321 nan 8.240 nan 0.000 0.540 136 P HA 0.346 nan 4.420 nan 0.000 0.261 136 P C -0.799 176.509 177.300 0.013 0.000 1.352 136 P CA 0.025 63.130 63.100 0.008 0.000 0.891 136 P CB 0.194 31.896 31.700 0.002 0.000 1.383 137 D N -0.835 119.577 120.400 0.019 0.000 2.891 137 D HA 0.447 5.087 4.640 0.000 0.000 0.224 137 D C 0.860 177.171 176.300 0.019 0.000 1.321 137 D CA -0.502 53.510 54.000 0.020 0.000 0.929 137 D CB 1.551 42.367 40.800 0.026 0.000 1.551 137 D HN -0.164 nan 8.370 nan 0.000 0.574 138 A N 3.592 126.421 122.820 0.014 0.000 2.019 138 A HA -0.155 4.165 4.320 0.000 0.000 0.219 138 A C 1.469 179.061 177.584 0.013 0.000 1.164 138 A CA 1.048 53.093 52.037 0.012 0.000 0.644 138 A CB -0.197 18.808 19.000 0.009 0.000 0.805 138 A HN 0.607 nan 8.150 nan 0.000 0.449 139 N N -0.424 118.285 118.700 0.014 0.000 2.383 139 N HA 0.108 4.848 4.740 0.000 0.000 0.192 139 N C -0.203 175.318 175.510 0.017 0.000 1.141 139 N CA 0.500 53.558 53.050 0.013 0.000 0.851 139 N CB 0.301 38.795 38.487 0.011 0.000 0.976 139 N HN 0.492 nan 8.380 nan 0.000 0.465 140 K N -0.088 120.327 120.400 0.024 0.000 2.443 140 K HA 0.519 4.839 4.320 0.000 0.000 0.251 140 K C -0.736 175.888 176.600 0.041 0.000 0.972 140 K CA -0.608 55.700 56.287 0.034 0.000 0.833 140 K CB 2.033 34.563 32.500 0.050 0.000 1.317 140 K HN -0.218 nan 8.250 nan 0.000 0.441 141 R N 0.953 121.482 120.500 0.049 0.000 2.750 141 R HA 0.537 4.877 4.340 0.000 0.000 0.281 141 R C -1.151 175.209 176.300 0.100 0.000 0.972 141 R CA -0.475 55.659 56.100 0.057 0.000 0.912 141 R CB 1.252 31.574 30.300 0.037 0.000 1.187 141 R HN 0.479 nan 8.270 nan 0.000 0.464 142 I N 2.834 123.471 120.570 0.113 0.000 2.330 142 I HA 0.398 4.568 4.170 0.000 0.000 0.289 142 I C -0.782 175.415 176.117 0.134 0.000 1.001 142 I CA -0.796 60.615 61.300 0.184 0.000 1.193 142 I CB 1.571 39.646 38.000 0.125 0.000 1.345 142 I HN 0.148 nan 8.210 nan 0.000 0.461 143 V N 7.060 127.071 119.914 0.162 0.000 2.531 143 V HA 0.459 4.579 4.120 0.000 0.000 0.301 143 V C -0.225 175.957 176.094 0.145 0.000 1.034 143 V CA -0.753 61.611 62.300 0.107 0.000 0.865 143 V CB 1.932 33.790 31.823 0.059 0.000 0.995 143 V HN 0.367 nan 8.190 nan 0.000 0.424 144 V N 5.345 125.325 119.914 0.110 0.000 2.459 144 V HA 0.742 4.862 4.120 0.000 0.000 0.295 144 V C 0.036 176.173 176.094 0.072 0.000 1.029 144 V CA -0.568 61.798 62.300 0.111 0.000 0.874 144 V CB 1.673 33.550 31.823 0.090 0.000 0.985 144 V HN 0.801 nan 8.190 nan 0.000 0.438 145 V N 2.017 121.974 119.914 0.071 0.000 3.158 145 V HA 0.778 4.898 4.120 0.000 0.000 0.315 145 V C -0.691 175.440 176.094 0.061 0.000 1.148 145 V CA -1.054 61.278 62.300 0.052 0.000 1.042 145 V CB 2.267 34.112 31.823 0.038 0.000 1.101 145 V HN 0.806 nan 8.190 nan 0.000 0.448 146 K N 0.699 121.133 120.400 0.057 0.000 2.427 146 K HA 0.698 5.018 4.320 0.000 0.000 0.252 146 K C -1.267 175.380 176.600 0.077 0.000 0.931 146 K CA -0.521 55.810 56.287 0.073 0.000 0.793 146 K CB 2.657 35.204 32.500 0.077 0.000 1.211 146 K HN 0.873 nan 8.250 nan 0.000 0.426 147 E N 2.220 122.481 120.200 0.101 0.000 2.343 147 E HA 0.341 4.691 4.350 0.000 0.000 0.270 147 E C -2.641 174.070 176.600 0.185 0.000 0.895 147 E CA -2.424 54.050 56.400 0.123 0.000 0.767 147 E CB 2.004 31.770 29.700 0.110 0.000 1.248 147 E HN 0.262 nan 8.360 nan 0.000 0.440 148 P HA -0.046 nan 4.420 nan 0.000 0.265 148 P C 0.304 177.831 177.300 0.378 0.000 1.187 148 P CA 0.451 63.759 63.100 0.346 0.000 0.766 148 P CB 0.842 32.864 31.700 0.537 0.000 0.820 149 I N 1.237 121.935 120.570 0.213 0.000 2.286 149 I HA 0.018 4.188 4.170 0.000 0.000 0.245 149 I C 1.059 177.160 176.117 -0.028 0.000 1.104 149 I CA 1.920 63.288 61.300 0.114 0.000 1.397 149 I CB -0.211 37.809 38.000 0.034 0.000 1.072 149 I HN 0.669 nan 8.210 nan 0.000 0.417 150 G N -0.765 107.779 108.800 -0.426 0.000 2.373 150 G HA2 0.060 4.020 3.960 0.000 0.000 0.250 150 G HA3 0.060 4.020 3.960 0.000 0.000 0.250 150 G C -1.191 173.163 174.900 -0.911 0.000 1.304 150 G CA -0.239 44.178 45.100 -1.138 0.000 0.948 150 G HN -0.049 nan 8.290 nan 0.000 0.474 151 V N 0.402 119.933 119.914 -0.637 0.000 2.508 151 V HA 0.418 4.538 4.120 0.000 0.000 0.281 151 V C 0.547 176.504 176.094 -0.228 0.000 1.041 151 V CA -0.273 61.796 62.300 -0.385 0.000 1.016 151 V CB 0.397 32.072 31.823 -0.245 0.000 0.984 151 V HN 0.818 nan 8.190 nan 0.000 0.478 152 C N 4.253 123.455 119.300 -0.163 0.000 2.397 152 C HA 0.936 5.396 4.460 0.000 0.000 0.343 152 C C 0.546 175.508 174.990 -0.048 0.000 1.188 152 C CA -0.510 58.466 59.018 -0.071 0.000 1.992 152 C CB 1.059 28.814 27.740 0.026 0.000 2.358 152 C HN 1.046 nan 8.230 nan 0.000 0.518 153 A N 1.246 124.054 122.820 -0.020 0.000 2.449 153 A HA 0.939 5.259 4.320 0.000 0.000 0.302 153 A C -0.997 176.604 177.584 0.028 0.000 1.048 153 A CA -0.316 51.718 52.037 -0.005 0.000 0.708 153 A CB 1.221 20.212 19.000 -0.014 0.000 1.274 153 A HN 1.520 nan 8.150 nan 0.000 0.410 154 A N 1.827 124.671 122.820 0.041 0.000 2.381 154 A HA 0.711 5.031 4.320 0.000 0.000 0.299 154 A C -1.038 176.590 177.584 0.074 0.000 1.049 154 A CA -0.266 51.808 52.037 0.061 0.000 0.715 154 A CB 0.642 19.674 19.000 0.054 0.000 1.222 154 A HN 0.740 nan 8.150 nan 0.000 0.428 155 I N 2.913 123.556 120.570 0.122 0.000 2.330 155 I HA 0.430 4.600 4.170 0.000 0.000 0.289 155 I C 0.517 176.670 176.117 0.060 0.000 1.001 155 I CA -0.260 61.136 61.300 0.160 0.000 1.193 155 I CB 2.062 40.266 38.000 0.340 0.000 1.345 155 I HN 0.747 nan 8.210 nan 0.000 0.461 156 T N 4.186 118.754 114.554 0.022 0.000 2.918 156 T HA 0.717 5.067 4.350 0.000 0.000 0.286 156 T C -2.718 171.950 174.700 -0.053 0.000 1.026 156 T CA -2.009 60.061 62.100 -0.051 0.000 1.031 156 T CB 2.323 71.183 68.868 -0.014 0.000 1.046 156 T HN 0.226 nan 8.240 nan 0.000 0.479 157 P HA 0.345 nan 4.420 nan 0.000 0.304 157 P C 0.824 178.059 177.300 -0.109 0.000 1.310 157 P CA -0.944 62.050 63.100 -0.176 0.000 0.796 157 P CB 0.912 32.373 31.700 -0.397 0.000 1.297 158 W N 0.842 122.126 121.300 -0.028 0.000 2.770 158 W HA -0.014 4.646 4.660 0.000 0.000 0.256 158 W C 0.849 177.353 176.519 -0.025 0.000 1.291 158 W CA 0.598 57.932 57.345 -0.019 0.000 1.396 158 W CB -1.706 27.735 29.460 -0.032 0.000 1.114 158 W HN 0.236 nan 8.180 nan 0.000 0.637 159 N N 1.437 119.733 118.700 -0.674 0.000 2.331 159 N HA -0.171 4.569 4.740 0.000 0.000 0.180 159 N C -0.213 175.146 175.510 -0.251 0.000 1.019 159 N CA 0.737 53.431 53.050 -0.593 0.000 0.881 159 N CB -1.091 36.867 38.487 -0.881 0.000 0.972 159 N HN 0.111 nan 8.380 nan 0.000 0.435 160 F N -0.099 119.776 119.950 -0.124 0.000 2.710 160 F HA 0.405 4.932 4.527 0.000 0.000 0.345 160 F C -1.886 173.921 175.800 0.011 0.000 1.362 160 F CA -1.989 56.000 58.000 -0.017 0.000 1.175 160 F CB 2.220 41.210 39.000 -0.018 0.000 1.561 160 F HN -0.148 nan 8.300 nan 0.000 0.593 161 P HA -0.106 nan 4.420 nan 0.000 0.225 161 P C 1.107 178.490 177.300 0.140 0.000 1.148 161 P CA 1.145 64.324 63.100 0.132 0.000 0.779 161 P CB 0.439 32.219 31.700 0.133 0.000 0.780 162 A N -0.491 122.427 122.820 0.164 0.000 1.970 162 A HA 0.410 4.730 4.320 0.000 0.000 0.204 162 A C 2.222 179.895 177.584 0.148 0.000 1.325 162 A CA 0.838 52.970 52.037 0.158 0.000 0.767 162 A CB -1.192 17.900 19.000 0.154 0.000 0.949 162 A HN 0.093 nan 8.150 nan 0.000 0.481 163 A N -0.289 122.657 122.820 0.209 0.000 1.908 163 A HA -0.145 4.175 4.320 0.000 0.000 0.218 163 A C 2.146 179.708 177.584 -0.036 0.000 1.181 163 A CA 2.033 54.154 52.037 0.141 0.000 0.627 163 A CB -0.584 18.613 19.000 0.328 0.000 0.818 163 A HN 0.390 nan 8.150 nan 0.000 0.445 164 M N -1.057 118.544 119.600 0.003 0.000 2.149 164 M HA -0.139 4.341 4.480 0.000 0.000 0.261 164 M C 2.023 178.277 176.300 -0.077 0.000 1.064 164 M CA 1.386 56.631 55.300 -0.092 0.000 1.102 164 M CB -1.163 31.412 32.600 -0.043 0.000 1.369 164 M HN 0.371 nan 8.290 nan 0.000 0.408 165 I N 0.166 120.741 120.570 0.010 0.000 2.353 165 I HA -0.135 4.035 4.170 0.000 0.000 0.248 165 I C 2.544 178.702 176.117 0.068 0.000 1.119 165 I CA 1.160 62.498 61.300 0.063 0.000 1.417 165 I CB -0.730 37.352 38.000 0.136 0.000 1.078 165 I HN 0.182 nan 8.210 nan 0.000 0.421 166 A N 0.175 123.000 122.820 0.008 0.000 1.898 166 A HA -0.187 4.133 4.320 0.000 0.000 0.216 166 A C 2.437 179.948 177.584 -0.121 0.000 1.181 166 A CA 1.376 53.379 52.037 -0.057 0.000 0.620 166 A CB -0.540 18.419 19.000 -0.069 0.000 0.819 166 A HN 0.290 nan 8.150 nan 0.000 0.442 167 R N -0.569 119.738 120.500 -0.323 0.000 2.152 167 R HA -0.095 4.245 4.340 0.000 0.000 0.232 167 R C 1.709 177.806 176.300 -0.338 0.000 1.117 167 R CA 1.656 57.419 56.100 -0.562 0.000 0.981 167 R CB -0.114 29.724 30.300 -0.769 0.000 0.870 167 R HN 0.512 nan 8.270 nan 0.000 0.451 168 K N -0.952 119.329 120.400 -0.199 0.000 2.387 168 K HA 0.106 4.426 4.320 0.000 0.000 0.197 168 K C 1.828 178.351 176.600 -0.128 0.000 1.127 168 K CA 0.180 56.393 56.287 -0.124 0.000 0.950 168 K CB 0.634 33.115 32.500 -0.033 0.000 1.017 168 K HN -0.074 nan 8.250 nan 0.000 0.519 169 V N 1.199 121.088 119.914 -0.041 0.000 2.407 169 V HA -0.097 4.023 4.120 0.000 0.000 0.245 169 V C 2.298 178.388 176.094 -0.007 0.000 1.041 169 V CA 2.084 64.399 62.300 0.026 0.000 1.040 169 V CB -0.768 31.182 31.823 0.212 0.000 0.671 169 V HN 0.432 nan 8.190 nan 0.000 0.455 170 G N 1.859 110.655 108.800 -0.008 0.000 2.586 170 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 170 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 170 G C 0.086 174.797 174.900 -0.316 0.000 1.216 170 G CA 1.516 46.610 45.100 -0.011 0.000 0.786 170 G HN 0.554 nan 8.290 nan 0.000 0.583 171 P HA 0.017 nan 4.420 nan 0.000 0.219 171 P C 1.978 178.737 177.300 -0.901 0.000 1.150 171 P CA 1.902 64.276 63.100 -1.209 0.000 0.814 171 P CB -0.157 30.547 31.700 -1.660 0.000 0.787 172 A N -0.223 122.051 122.820 -0.910 0.000 1.898 172 A HA -0.135 4.185 4.320 0.000 0.000 0.216 172 A C 2.195 179.751 177.584 -0.047 0.000 1.181 172 A CA 1.407 53.170 52.037 -0.456 0.000 0.620 172 A CB -1.511 17.378 19.000 -0.185 0.000 0.819 172 A HN 0.069 nan 8.150 nan 0.000 0.442 173 L N -0.393 120.853 121.223 0.039 0.000 2.027 173 L HA -0.031 4.309 4.340 0.000 0.000 0.206 173 L C 3.001 180.128 176.870 0.428 0.000 1.074 173 L CA 1.827 56.870 54.840 0.339 0.000 0.745 173 L CB -1.119 41.132 42.059 0.319 0.000 0.898 173 L HN 0.383 nan 8.230 nan 0.000 0.433 174 A N -0.586 122.367 122.820 0.221 0.000 1.997 174 A HA -0.237 4.083 4.320 0.000 0.000 0.221 174 A C 2.346 180.003 177.584 0.121 0.000 1.172 174 A CA 1.981 54.114 52.037 0.159 0.000 0.645 174 A CB -0.872 18.218 19.000 0.150 0.000 0.813 174 A HN 0.411 nan 8.150 nan 0.000 0.454 175 A N -2.163 120.731 122.820 0.123 0.000 2.169 175 A HA 0.405 4.725 4.320 0.000 0.000 0.212 175 A C 1.759 179.462 177.584 0.199 0.000 1.153 175 A CA 1.266 53.393 52.037 0.150 0.000 0.756 175 A CB -0.769 18.335 19.000 0.174 0.000 0.813 175 A HN 2.011 nan 8.150 nan 0.000 0.471 176 G N -2.082 106.881 108.800 0.271 0.000 2.164 176 G HA2 -0.180 3.780 3.960 0.000 0.000 0.212 176 G HA3 -0.180 3.780 3.960 0.000 0.000 0.212 176 G C -0.111 175.177 174.900 0.646 0.000 1.031 176 G CA -0.111 45.180 45.100 0.319 0.000 0.730 176 G HN 0.611 nan 8.290 nan 0.000 0.501 177 C N 1.304 120.923 119.300 0.532 0.000 2.493 177 C HA 0.846 5.306 4.460 0.000 0.000 0.326 177 C C -1.737 173.290 174.990 0.061 0.000 1.200 177 C CA -1.384 57.763 59.018 0.215 0.000 1.739 177 C CB 2.125 29.910 27.740 0.077 0.000 2.300 177 C HN 0.437 nan 8.230 nan 0.000 0.500 178 P HA 0.610 nan 4.420 nan 0.000 0.282 178 P C -1.125 176.066 177.300 -0.180 0.000 1.259 178 P CA -0.269 62.695 63.100 -0.227 0.000 0.826 178 P CB 1.470 33.056 31.700 -0.190 0.000 1.064 179 I N 0.271 120.742 120.570 -0.165 0.000 2.802 179 I HA 0.367 4.537 4.170 0.000 0.000 0.298 179 I C -1.484 174.578 176.117 -0.093 0.000 1.176 179 I CA -1.247 59.991 61.300 -0.102 0.000 1.025 179 I CB 2.399 40.364 38.000 -0.059 0.000 1.243 179 I HN -0.046 nan 8.210 nan 0.000 0.424 180 V N 7.189 127.065 119.914 -0.062 0.000 2.349 180 V HA 0.375 4.495 4.120 0.000 0.000 0.284 180 V C -0.402 175.681 176.094 -0.017 0.000 1.014 180 V CA -0.622 61.647 62.300 -0.051 0.000 0.826 180 V CB 1.314 33.103 31.823 -0.057 0.000 1.009 180 V HN 0.402 nan 8.190 nan 0.000 0.431 181 V N 4.841 124.752 119.914 -0.006 0.000 2.394 181 V HA 0.450 4.570 4.120 0.000 0.000 0.282 181 V C 0.259 176.371 176.094 0.030 0.000 1.031 181 V CA -0.691 61.621 62.300 0.020 0.000 0.881 181 V CB 1.772 33.614 31.823 0.030 0.000 0.982 181 V HN 0.772 nan 8.190 nan 0.000 0.451 182 K N 7.871 128.298 120.400 0.045 0.000 2.347 182 K HA 0.424 4.744 4.320 0.000 0.000 0.262 182 K C -2.672 173.970 176.600 0.070 0.000 1.052 182 K CA -1.775 54.546 56.287 0.057 0.000 0.946 182 K CB 2.029 34.562 32.500 0.057 0.000 1.220 182 K HN 0.388 nan 8.250 nan 0.000 0.450 183 P HA 0.110 nan 4.420 nan 0.000 0.277 183 P C -0.716 176.641 177.300 0.094 0.000 1.271 183 P CA -0.494 62.651 63.100 0.076 0.000 0.795 183 P CB 0.608 32.350 31.700 0.070 0.000 1.101 184 A N 0.200 123.085 122.820 0.109 0.000 2.488 184 A HA 0.381 4.701 4.320 0.000 0.000 0.249 184 A C 1.711 179.377 177.584 0.136 0.000 1.083 184 A CA 0.381 52.504 52.037 0.143 0.000 0.768 184 A CB -0.916 18.217 19.000 0.222 0.000 1.017 184 A HN 0.621 nan 8.150 nan 0.000 0.496 185 E N 1.742 122.012 120.200 0.117 0.000 2.273 185 E HA -0.187 4.163 4.350 0.000 0.000 0.198 185 E C 2.122 178.835 176.600 0.188 0.000 1.002 185 E CA 1.995 58.487 56.400 0.154 0.000 0.828 185 E CB -0.528 29.098 29.700 -0.123 0.000 0.747 185 E HN 0.822 nan 8.360 nan 0.000 0.491 186 S N -0.290 115.481 115.700 0.118 0.000 2.395 186 S HA -0.048 4.422 4.470 0.000 0.000 0.225 186 S C 1.443 176.094 174.600 0.085 0.000 1.027 186 S CA 1.590 59.834 58.200 0.074 0.000 0.965 186 S CB -0.028 63.151 63.200 -0.034 0.000 0.812 186 S HN 0.780 nan 8.310 nan 0.000 0.482 187 T N -0.504 114.115 114.554 0.107 0.000 3.504 187 T HA 0.492 4.842 4.350 0.000 0.000 0.286 187 T C -2.572 172.137 174.700 0.016 0.000 1.530 187 T CA -1.233 60.922 62.100 0.091 0.000 1.652 187 T CB 1.334 70.303 68.868 0.168 0.000 0.895 187 T HN 0.066 nan 8.240 nan 0.000 0.674 188 P HA 0.191 nan 4.420 nan 0.000 0.230 188 P C 0.935 178.108 177.300 -0.212 0.000 1.168 188 P CA 0.071 63.030 63.100 -0.234 0.000 0.793 188 P CB -0.112 31.338 31.700 -0.418 0.000 0.851 189 F N 0.209 120.164 119.950 0.008 0.000 2.163 189 F HA -0.066 4.461 4.527 0.000 0.000 0.297 189 F C 2.472 178.289 175.800 0.028 0.000 1.094 189 F CA 1.239 59.225 58.000 -0.024 0.000 1.290 189 F CB -1.582 37.374 39.000 -0.073 0.000 1.017 189 F HN -0.150 nan 8.300 nan 0.000 0.483 190 S N -0.051 115.782 115.700 0.222 0.000 2.400 190 S HA -0.178 4.292 4.470 0.000 0.000 0.232 190 S C 2.295 176.996 174.600 0.168 0.000 1.025 190 S CA 1.070 59.375 58.200 0.175 0.000 0.993 190 S CB -0.596 62.695 63.200 0.152 0.000 0.808 190 S HN 0.368 nan 8.310 nan 0.000 0.478 191 A N 0.876 123.782 122.820 0.144 0.000 1.930 191 A HA 0.153 4.473 4.320 0.000 0.000 0.215 191 A C 2.038 179.714 177.584 0.153 0.000 1.176 191 A CA 0.766 52.885 52.037 0.138 0.000 0.632 191 A CB -0.450 18.610 19.000 0.100 0.000 0.819 191 A HN 0.444 nan 8.150 nan 0.000 0.445 192 L N -0.727 120.593 121.223 0.162 0.000 2.109 192 L HA -0.093 4.247 4.340 0.000 0.000 0.207 192 L C 3.054 180.098 176.870 0.290 0.000 1.086 192 L CA 0.902 55.880 54.840 0.230 0.000 0.760 192 L CB -0.512 41.690 42.059 0.239 0.000 0.910 192 L HN 0.393 nan 8.230 nan 0.000 0.437 193 A N -0.269 122.697 122.820 0.243 0.000 1.883 193 A HA -0.284 4.036 4.320 0.000 0.000 0.217 193 A C 2.272 180.033 177.584 0.295 0.000 1.186 193 A CA 2.119 54.317 52.037 0.268 0.000 0.624 193 A CB -0.527 18.594 19.000 0.201 0.000 0.822 193 A HN 0.348 nan 8.150 nan 0.000 0.444 194 M N -0.511 119.253 119.600 0.274 0.000 2.296 194 M HA -0.009 4.471 4.480 0.000 0.000 0.265 194 M C 2.087 178.549 176.300 0.270 0.000 1.064 194 M CA 1.413 56.934 55.300 0.368 0.000 1.109 194 M CB -0.218 32.609 32.600 0.379 0.000 1.396 194 M HN 0.429 nan 8.290 nan 0.000 0.430 195 A N -0.977 121.912 122.820 0.115 0.000 1.930 195 A HA -0.098 4.222 4.320 0.000 0.000 0.215 195 A C 1.918 179.384 177.584 -0.196 0.000 1.176 195 A CA 0.920 52.866 52.037 -0.152 0.000 0.632 195 A CB -0.955 17.916 19.000 -0.215 0.000 0.819 195 A HN 0.557 nan 8.150 nan 0.000 0.445 196 F N 0.821 120.743 119.950 -0.047 0.000 2.146 196 F HA -0.053 4.474 4.527 0.000 0.000 0.298 196 F C 1.768 177.564 175.800 -0.007 0.000 1.096 196 F CA 1.186 59.239 58.000 0.090 0.000 1.275 196 F CB -0.388 38.703 39.000 0.152 0.000 1.008 196 F HN 0.125 nan 8.300 nan 0.000 0.480 197 L N -0.331 120.840 121.223 -0.088 0.000 2.201 197 L HA -0.113 4.227 4.340 0.000 0.000 0.212 197 L C 2.642 179.368 176.870 -0.241 0.000 1.105 197 L CA 0.939 55.699 54.840 -0.133 0.000 0.775 197 L CB -1.038 41.120 42.059 0.164 0.000 0.913 197 L HN 0.207 nan 8.230 nan 0.000 0.440 198 A N -0.489 122.007 122.820 -0.540 0.000 2.014 198 A HA -0.200 4.120 4.320 0.000 0.000 0.218 198 A C 2.270 179.603 177.584 -0.418 0.000 1.163 198 A CA 1.326 52.835 52.037 -0.880 0.000 0.652 198 A CB -0.295 17.922 19.000 -1.306 0.000 0.808 198 A HN 0.438 nan 8.150 nan 0.000 0.449 199 E N -0.180 119.846 120.200 -0.290 0.000 2.046 199 E HA -0.151 4.199 4.350 0.000 0.000 0.190 199 E C 2.231 178.770 176.600 -0.102 0.000 0.982 199 E CA 0.561 56.893 56.400 -0.114 0.000 0.800 199 E CB -0.127 29.585 29.700 0.021 0.000 0.756 199 E HN 0.499 nan 8.360 nan 0.000 0.449 200 R N -0.045 120.337 120.500 -0.195 0.000 2.105 200 R HA -0.129 4.211 4.340 0.000 0.000 0.239 200 R C 2.272 178.530 176.300 -0.070 0.000 1.135 200 R CA 1.045 57.048 56.100 -0.163 0.000 0.967 200 R CB -0.295 29.848 30.300 -0.262 0.000 0.861 200 R HN 0.160 nan 8.270 nan 0.000 0.442 201 A N -0.220 122.563 122.820 -0.062 0.000 2.015 201 A HA 0.015 4.335 4.320 0.000 0.000 0.219 201 A C 1.448 179.054 177.584 0.036 0.000 1.163 201 A CA 1.529 53.580 52.037 0.022 0.000 0.646 201 A CB -0.132 18.912 19.000 0.073 0.000 0.806 201 A HN 0.502 nan 8.150 nan 0.000 0.448 202 G N -2.177 106.626 108.800 0.005 0.000 2.145 202 G HA2 -0.093 3.867 3.960 0.000 0.000 0.145 202 G HA3 -0.093 3.867 3.960 0.000 0.000 0.145 202 G C -0.029 174.904 174.900 0.056 0.000 1.017 202 G CA -0.146 44.979 45.100 0.042 0.000 0.682 202 G HN 0.729 nan 8.290 nan 0.000 0.504 203 V N 2.233 122.136 119.914 -0.019 0.000 2.421 203 V HA 0.251 4.371 4.120 0.000 0.000 0.271 203 V C -1.090 174.962 176.094 -0.069 0.000 1.031 203 V CA -0.814 61.435 62.300 -0.085 0.000 1.032 203 V CB 0.571 32.236 31.823 -0.263 0.000 1.009 203 V HN 0.230 nan 8.190 nan 0.000 0.477 204 P HA 0.086 nan 4.420 nan 0.000 0.261 204 P C 0.209 177.470 177.300 -0.064 0.000 1.165 204 P CA 0.363 63.470 63.100 0.010 0.000 0.759 204 P CB 0.195 31.955 31.700 0.100 0.000 0.772 205 K N 2.436 122.812 120.400 -0.040 0.000 2.504 205 K HA 0.332 4.652 4.320 0.000 0.000 0.278 205 K C 1.442 177.964 176.600 -0.130 0.000 1.025 205 K CA 0.422 56.651 56.287 -0.096 0.000 1.093 205 K CB -1.264 31.192 32.500 -0.074 0.000 0.873 205 K HN 0.943 nan 8.250 nan 0.000 0.483 206 G N 0.317 108.992 108.800 -0.209 0.000 2.259 206 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 206 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 206 G C 1.367 176.145 174.900 -0.204 0.000 1.001 206 G CA 0.448 45.433 45.100 -0.192 0.000 0.627 206 G HN 1.093 nan 8.290 nan 0.000 0.501 207 V N 0.318 120.078 119.914 -0.257 0.000 2.667 207 V HA 0.306 4.426 4.120 0.000 0.000 0.252 207 V C 1.031 176.916 176.094 -0.348 0.000 1.065 207 V CA 1.912 63.975 62.300 -0.395 0.000 1.083 207 V CB 0.121 31.500 31.823 -0.740 0.000 0.692 207 V HN 0.533 nan 8.190 nan 0.000 0.468 208 L N -0.547 120.520 121.223 -0.261 0.000 2.381 208 L HA 0.640 4.980 4.340 0.000 0.000 0.274 208 L C -0.548 176.256 176.870 -0.111 0.000 0.988 208 L CA 0.176 54.914 54.840 -0.169 0.000 0.824 208 L CB 2.048 44.007 42.059 -0.166 0.000 1.263 208 L HN -0.078 nan 8.230 nan 0.000 0.410 209 S N 3.451 119.094 115.700 -0.096 0.000 2.532 209 S HA 0.734 5.204 4.470 0.000 0.000 0.299 209 S C -1.057 173.533 174.600 -0.016 0.000 1.105 209 S CA -0.527 57.616 58.200 -0.096 0.000 1.018 209 S CB 1.917 65.034 63.200 -0.138 0.000 1.021 209 S HN 0.392 nan 8.310 nan 0.000 0.483 210 V N 4.038 123.965 119.914 0.023 0.000 2.284 210 V HA 0.333 4.453 4.120 0.000 0.000 0.274 210 V C -0.207 175.901 176.094 0.022 0.000 1.023 210 V CA -0.632 61.688 62.300 0.032 0.000 0.808 210 V CB 0.989 32.843 31.823 0.053 0.000 1.035 210 V HN 0.686 nan 8.190 nan 0.000 0.445 211 V N 6.160 126.083 119.914 0.015 0.000 2.607 211 V HA 0.491 4.611 4.120 0.000 0.000 0.289 211 V C 0.080 176.206 176.094 0.052 0.000 1.053 211 V CA -0.208 62.105 62.300 0.021 0.000 0.996 211 V CB 1.657 33.485 31.823 0.008 0.000 0.995 211 V HN 0.624 nan 8.190 nan 0.000 0.476 212 I N 2.825 123.438 120.570 0.071 0.000 2.582 212 I HA 0.801 4.971 4.170 0.000 0.000 0.292 212 I C 0.572 176.804 176.117 0.192 0.000 1.066 212 I CA -0.059 61.316 61.300 0.124 0.000 1.053 212 I CB 1.970 40.019 38.000 0.082 0.000 1.241 212 I HN 0.857 nan 8.210 nan 0.000 0.421 213 G N 4.820 113.784 108.800 0.274 0.000 2.374 213 G HA2 -0.089 3.871 3.960 0.000 0.000 0.067 213 G HA3 -0.089 3.871 3.960 0.000 0.000 0.067 213 G C -1.499 173.411 174.900 0.017 0.000 1.023 213 G CA -0.502 44.765 45.100 0.279 0.000 1.131 213 G HN 0.518 nan 8.290 nan 0.000 0.436 214 D N 2.164 122.565 120.400 0.000 0.000 2.325 214 D HA 0.488 5.128 4.640 0.000 0.000 0.251 214 D C -1.212 175.066 176.300 -0.036 0.000 1.196 214 D CA -1.697 52.271 54.000 -0.054 0.000 0.866 214 D CB 1.994 42.778 40.800 -0.026 0.000 1.101 214 D HN -0.043 nan 8.370 nan 0.000 0.476 215 P HA -0.056 nan 4.420 nan 0.000 0.218 215 P C 1.141 178.429 177.300 -0.021 0.000 1.152 215 P CA 1.528 64.615 63.100 -0.021 0.000 0.826 215 P CB 0.208 31.896 31.700 -0.020 0.000 0.790 216 K N 0.248 120.631 120.400 -0.030 0.000 2.057 216 K HA 0.058 4.379 4.320 0.000 0.000 0.206 216 K C 2.258 178.843 176.600 -0.025 0.000 1.050 216 K CA 1.726 57.995 56.287 -0.030 0.000 0.935 216 K CB -1.710 30.773 32.500 -0.029 0.000 0.715 216 K HN 0.176 nan 8.250 nan 0.000 0.439 217 A N 0.825 123.633 122.820 -0.020 0.000 1.872 217 A HA 0.092 4.413 4.320 0.000 0.000 0.214 217 A C 2.455 180.033 177.584 -0.011 0.000 1.187 217 A CA 1.451 53.480 52.037 -0.014 0.000 0.614 217 A CB -0.264 18.731 19.000 -0.008 0.000 0.826 217 A HN 0.458 nan 8.150 nan 0.000 0.442 218 I N -0.161 120.405 120.570 -0.006 0.000 2.179 218 I HA -0.181 3.989 4.170 0.000 0.000 0.242 218 I C 2.740 178.852 176.117 -0.009 0.000 1.088 218 I CA 1.035 62.334 61.300 -0.001 0.000 1.357 218 I CB -0.754 37.254 38.000 0.012 0.000 1.051 218 I HN 0.393 nan 8.210 nan 0.000 0.409 219 G N 0.567 109.359 108.800 -0.014 0.000 2.529 219 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 219 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 219 G C 1.648 176.526 174.900 -0.037 0.000 1.177 219 G CA 1.738 46.820 45.100 -0.030 0.000 0.773 219 G HN 0.305 nan 8.290 nan 0.000 0.573 220 T N 0.452 114.986 114.554 -0.033 0.000 2.833 220 T HA -0.058 4.292 4.350 0.000 0.000 0.269 220 T C 2.204 176.888 174.700 -0.027 0.000 1.054 220 T CA 1.616 63.697 62.100 -0.032 0.000 1.135 220 T CB -0.094 68.757 68.868 -0.027 0.000 0.869 220 T HN 0.398 nan 8.240 nan 0.000 0.466 221 E N 1.184 121.370 120.200 -0.022 0.000 2.072 221 E HA 0.008 4.358 4.350 0.000 0.000 0.190 221 E C 1.978 178.564 176.600 -0.024 0.000 0.982 221 E CA 0.884 57.272 56.400 -0.021 0.000 0.803 221 E CB -0.523 29.167 29.700 -0.017 0.000 0.755 221 E HN 0.500 nan 8.360 nan 0.000 0.453 222 I N 0.561 121.116 120.570 -0.025 0.000 2.226 222 I HA -0.266 3.904 4.170 0.000 0.000 0.245 222 I C 2.154 178.252 176.117 -0.032 0.000 1.100 222 I CA 1.826 63.110 61.300 -0.027 0.000 1.374 222 I CB -0.426 37.562 38.000 -0.020 0.000 1.057 222 I HN 0.295 nan 8.210 nan 0.000 0.413 223 T N -3.096 111.437 114.554 -0.036 0.000 3.067 223 T HA 0.016 4.366 4.350 0.000 0.000 0.257 223 T C 1.718 176.398 174.700 -0.034 0.000 1.105 223 T CA 0.806 62.882 62.100 -0.040 0.000 1.104 223 T CB -0.131 68.706 68.868 -0.051 0.000 0.925 223 T HN 0.388 nan 8.240 nan 0.000 0.498 224 S N 0.752 116.434 115.700 -0.029 0.000 2.475 224 S HA 0.160 4.630 4.470 0.000 0.000 0.224 224 S C 0.941 175.528 174.600 -0.021 0.000 1.042 224 S CA -0.479 57.707 58.200 -0.024 0.000 0.935 224 S CB -0.644 62.543 63.200 -0.021 0.000 0.801 224 S HN 0.396 nan 8.310 nan 0.000 0.509 225 N N 3.763 122.450 118.700 -0.022 0.000 2.411 225 N HA 0.133 4.873 4.740 0.000 0.000 0.265 225 N C -2.027 173.470 175.510 -0.021 0.000 1.266 225 N CA -1.145 51.892 53.050 -0.021 0.000 0.889 225 N CB 1.209 39.682 38.487 -0.024 0.000 1.069 225 N HN 0.053 nan 8.380 nan 0.000 0.476 226 P HA -0.015 nan 4.420 nan 0.000 0.219 226 P C 1.443 178.733 177.300 -0.016 0.000 1.150 226 P CA 0.850 63.943 63.100 -0.012 0.000 0.814 226 P CB 0.294 31.992 31.700 -0.003 0.000 0.787 227 I N -1.215 119.345 120.570 -0.018 0.000 2.264 227 I HA -0.152 4.018 4.170 0.000 0.000 0.248 227 I C 0.593 176.674 176.117 -0.059 0.000 1.111 227 I CA 0.815 62.100 61.300 -0.025 0.000 1.382 227 I CB -0.619 37.369 38.000 -0.021 0.000 1.060 227 I HN -0.232 nan 8.210 nan 0.000 0.418 228 V N 2.634 122.513 119.914 -0.058 0.000 2.421 228 V HA 0.008 4.128 4.120 0.000 0.000 0.271 228 V C 1.302 177.353 176.094 -0.072 0.000 1.031 228 V CA 0.501 62.757 62.300 -0.074 0.000 1.032 228 V CB 0.560 32.349 31.823 -0.057 0.000 1.009 228 V HN 0.298 nan 8.190 nan 0.000 0.477 229 R N 2.888 123.329 120.500 -0.098 0.000 2.254 229 R HA 0.192 4.532 4.340 0.000 0.000 0.193 229 R C 0.595 176.847 176.300 -0.080 0.000 0.929 229 R CA 0.123 56.174 56.100 -0.082 0.000 1.038 229 R CB 0.525 30.768 30.300 -0.095 0.000 1.009 229 R HN 0.635 nan 8.270 nan 0.000 0.512 230 K N 0.851 121.194 120.400 -0.095 0.000 2.513 230 K HA 0.300 4.620 4.320 0.000 0.000 0.251 230 K C -1.925 174.625 176.600 -0.084 0.000 0.939 230 K CA -0.742 55.482 56.287 -0.105 0.000 0.793 230 K CB 1.731 34.137 32.500 -0.157 0.000 1.241 230 K HN -0.126 nan 8.250 nan 0.000 0.431 231 L N 2.692 123.874 121.223 -0.069 0.000 2.362 231 L HA 0.590 4.930 4.340 0.000 0.000 0.275 231 L C -1.359 175.505 176.870 -0.011 0.000 0.998 231 L CA 0.046 54.870 54.840 -0.028 0.000 0.820 231 L CB 2.116 44.167 42.059 -0.014 0.000 1.270 231 L HN 0.700 nan 8.230 nan 0.000 0.415 232 S N 5.036 120.753 115.700 0.028 0.000 2.498 232 S HA 0.666 5.136 4.470 0.000 0.000 0.317 232 S C -1.251 173.431 174.600 0.138 0.000 1.090 232 S CA -0.427 57.805 58.200 0.053 0.000 1.089 232 S CB 0.316 63.540 63.200 0.040 0.000 0.997 232 S HN 0.496 nan 8.310 nan 0.000 0.470 233 F N 4.096 124.040 119.950 -0.010 0.000 2.518 233 F HA 0.655 5.182 4.527 0.000 0.000 0.323 233 F C -0.548 175.254 175.800 0.004 0.000 1.129 233 F CA -0.191 57.807 58.000 -0.004 0.000 0.920 233 F CB 2.000 40.998 39.000 -0.003 0.000 1.160 233 F HN 0.446 nan 8.300 nan 0.000 0.440 234 T N 4.839 118.891 114.554 -0.836 0.000 2.812 234 T HA 0.818 5.168 4.350 0.000 0.000 0.282 234 T C -0.052 173.936 174.700 -1.187 0.000 0.990 234 T CA -0.119 61.502 62.100 -0.798 0.000 0.960 234 T CB 1.268 69.921 68.868 -0.358 0.000 0.948 234 T HN 1.129 nan 8.240 nan 0.000 0.438 235 G N 1.897 110.142 108.800 -0.926 0.000 2.513 235 G HA2 0.374 4.334 3.960 0.000 0.000 0.182 235 G HA3 0.374 4.334 3.960 0.000 0.000 0.182 235 G C -0.519 174.320 174.900 -0.101 0.000 1.190 235 G CA -0.170 44.624 45.100 -0.511 0.000 0.987 235 G HN 0.981 nan 8.290 nan 0.000 0.479 236 S N -0.126 115.684 115.700 0.183 0.000 2.580 236 S HA 0.459 4.929 4.470 0.000 0.000 0.274 236 S C 1.513 176.289 174.600 0.294 0.000 1.329 236 S CA 1.143 59.469 58.200 0.210 0.000 1.036 236 S CB 1.219 64.533 63.200 0.190 0.000 0.919 236 S HN 1.008 nan 8.310 nan 0.000 0.515 237 T N 3.301 117.990 114.554 0.225 0.000 2.720 237 T HA -0.117 4.233 4.350 0.000 0.000 0.268 237 T C 2.185 177.010 174.700 0.207 0.000 1.037 237 T CA 1.657 63.912 62.100 0.258 0.000 1.144 237 T CB -0.954 68.139 68.868 0.374 0.000 0.864 237 T HN 0.888 nan 8.240 nan 0.000 0.444 238 A N 0.931 123.858 122.820 0.179 0.000 1.940 238 A HA -0.051 4.269 4.320 0.000 0.000 0.219 238 A C 2.602 180.221 177.584 0.058 0.000 1.176 238 A CA 1.472 53.578 52.037 0.115 0.000 0.631 238 A CB -0.954 18.111 19.000 0.108 0.000 0.814 238 A HN 0.383 nan 8.150 nan 0.000 0.446 239 V N -0.352 119.600 119.914 0.063 0.000 2.407 239 V HA -0.086 4.034 4.120 0.000 0.000 0.245 239 V C 2.810 178.740 176.094 -0.273 0.000 1.041 239 V CA 1.607 63.855 62.300 -0.087 0.000 1.040 239 V CB -1.383 30.409 31.823 -0.052 0.000 0.671 239 V HN 0.595 nan 8.190 nan 0.000 0.455 240 G N 0.137 108.866 108.800 -0.119 0.000 2.446 240 G HA2 -0.275 3.685 3.960 0.000 0.000 0.217 240 G HA3 -0.275 3.685 3.960 0.000 0.000 0.217 240 G C 1.737 176.599 174.900 -0.063 0.000 1.168 240 G CA 0.885 45.931 45.100 -0.090 0.000 0.771 240 G HN 0.416 nan 8.290 nan 0.000 0.551 241 R N -0.258 120.241 120.500 -0.002 0.000 2.103 241 R HA -0.012 4.328 4.340 0.000 0.000 0.242 241 R C 2.640 178.915 176.300 -0.042 0.000 1.142 241 R CA 1.274 57.371 56.100 -0.005 0.000 0.960 241 R CB -0.450 29.861 30.300 0.020 0.000 0.858 241 R HN 0.360 nan 8.270 nan 0.000 0.439 242 L N 0.183 121.365 121.223 -0.070 0.000 2.109 242 L HA -0.120 4.220 4.340 0.000 0.000 0.207 242 L C 2.306 179.109 176.870 -0.112 0.000 1.086 242 L CA 0.838 55.630 54.840 -0.080 0.000 0.760 242 L CB -0.297 41.715 42.059 -0.079 0.000 0.910 242 L HN 0.183 nan 8.230 nan 0.000 0.437 243 L N -0.764 120.350 121.223 -0.182 0.000 2.141 243 L HA -0.214 4.126 4.340 0.000 0.000 0.209 243 L C 2.607 179.406 176.870 -0.118 0.000 1.094 243 L CA 1.146 55.866 54.840 -0.199 0.000 0.763 243 L CB -0.192 41.645 42.059 -0.371 0.000 0.908 243 L HN 0.356 nan 8.230 nan 0.000 0.437 244 M N -0.607 118.941 119.600 -0.087 0.000 2.099 244 M HA -0.168 4.312 4.480 0.000 0.000 0.262 244 M C 2.354 178.628 176.300 -0.043 0.000 1.067 244 M CA 1.928 57.199 55.300 -0.048 0.000 1.124 244 M CB -0.084 32.500 32.600 -0.027 0.000 1.353 244 M HN 0.200 nan 8.290 nan 0.000 0.410 245 A N 0.017 122.810 122.820 -0.044 0.000 1.908 245 A HA -0.247 4.073 4.320 0.000 0.000 0.218 245 A C 1.951 179.512 177.584 -0.039 0.000 1.181 245 A CA 2.000 54.015 52.037 -0.037 0.000 0.627 245 A CB -0.872 18.108 19.000 -0.034 0.000 0.818 245 A HN 0.725 nan 8.150 nan 0.000 0.445 246 Q N -0.480 119.289 119.800 -0.051 0.000 2.167 246 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 246 Q C 2.211 178.186 176.000 -0.042 0.000 0.970 246 Q CA 1.581 57.355 55.803 -0.048 0.000 0.855 246 Q CB -0.078 28.623 28.738 -0.062 0.000 0.911 246 Q HN 0.652 nan 8.270 nan 0.000 0.438 247 S N 0.339 116.012 115.700 -0.044 0.000 2.470 247 S HA 0.012 4.483 4.470 0.000 0.000 0.225 247 S C 1.933 176.516 174.600 -0.029 0.000 1.006 247 S CA 0.481 58.658 58.200 -0.037 0.000 0.934 247 S CB -0.016 63.160 63.200 -0.040 0.000 0.778 247 S HN 0.455 nan 8.310 nan 0.000 0.517 248 A N 2.826 125.630 122.820 -0.027 0.000 1.903 248 A HA -0.119 4.201 4.320 0.000 0.000 0.219 248 A C -0.112 177.462 177.584 -0.017 0.000 1.191 248 A CA 1.685 53.709 52.037 -0.021 0.000 0.638 248 A CB -2.004 16.985 19.000 -0.020 0.000 0.823 248 A HN 0.368 nan 8.150 nan 0.000 0.451 249 P HA -0.103 nan 4.420 nan 0.000 0.222 249 P C 0.997 178.290 177.300 -0.012 0.000 1.142 249 P CA 1.925 65.017 63.100 -0.014 0.000 0.788 249 P CB -0.123 31.568 31.700 -0.015 0.000 0.767 250 T N -6.625 107.920 114.554 -0.015 0.000 3.170 250 T HA 0.204 4.554 4.350 0.000 0.000 0.288 250 T C 0.333 175.025 174.700 -0.013 0.000 0.992 250 T CA -0.289 61.804 62.100 -0.013 0.000 0.909 250 T CB -0.723 68.136 68.868 -0.015 0.000 1.133 250 T HN -0.168 nan 8.240 nan 0.000 0.530 251 V N 0.846 120.752 119.914 -0.014 0.000 5.691 251 V HA -0.234 3.886 4.120 0.000 0.000 0.288 251 V C 0.358 176.442 176.094 -0.017 0.000 0.615 251 V CA 0.725 63.017 62.300 -0.013 0.000 0.619 251 V CB -2.363 29.456 31.823 -0.006 0.000 0.296 251 V HN 0.695 nan 8.190 nan 0.000 0.834 252 K N 0.258 120.644 120.400 -0.024 0.000 2.295 252 K HA 0.395 4.715 4.320 0.000 0.000 0.270 252 K C 0.361 176.939 176.600 -0.037 0.000 1.011 252 K CA -0.754 55.514 56.287 -0.033 0.000 0.953 252 K CB 0.717 33.194 32.500 -0.039 0.000 0.956 252 K HN 0.317 nan 8.250 nan 0.000 0.477 253 K N 2.170 122.540 120.400 -0.049 0.000 2.416 253 K HA 0.076 4.396 4.320 0.000 0.000 0.283 253 K C -0.982 175.574 176.600 -0.073 0.000 1.037 253 K CA -0.065 56.184 56.287 -0.063 0.000 0.995 253 K CB 0.239 32.687 32.500 -0.087 0.000 0.938 253 K HN 0.216 nan 8.250 nan 0.000 0.475 254 L N 3.578 124.766 121.223 -0.058 0.000 2.341 254 L HA 0.449 4.789 4.340 0.000 0.000 0.278 254 L C -0.628 176.216 176.870 -0.043 0.000 1.005 254 L CA -0.105 54.710 54.840 -0.042 0.000 0.818 254 L CB 2.003 44.053 42.059 -0.015 0.000 1.259 254 L HN 0.652 nan 8.230 nan 0.000 0.418 255 T N 5.182 119.714 114.554 -0.036 0.000 2.792 255 T HA 0.680 5.030 4.350 0.000 0.000 0.280 255 T C -0.388 174.344 174.700 0.053 0.000 0.990 255 T CA -0.325 61.770 62.100 -0.009 0.000 0.960 255 T CB 0.767 69.614 68.868 -0.037 0.000 0.939 255 T HN 0.277 nan 8.240 nan 0.000 0.439 256 L N 3.480 124.744 121.223 0.069 0.000 2.372 256 L HA 0.445 4.785 4.340 0.000 0.000 0.273 256 L C 0.014 176.932 176.870 0.080 0.000 0.989 256 L CA -0.821 54.094 54.840 0.125 0.000 0.841 256 L CB 1.530 43.681 42.059 0.154 0.000 1.225 256 L HN 0.487 nan 8.230 nan 0.000 0.414 257 E N 5.731 125.953 120.200 0.035 0.000 1.993 257 E HA 0.421 4.772 4.350 0.000 0.000 0.271 257 E C -0.326 176.263 176.600 -0.018 0.000 1.008 257 E CA -0.152 56.260 56.400 0.020 0.000 0.814 257 E CB 1.774 31.495 29.700 0.034 0.000 1.098 257 E HN 0.530 nan 8.360 nan 0.000 0.407 258 L N 0.186 121.435 121.223 0.045 0.000 2.836 258 L HA 0.559 4.900 4.340 0.000 0.000 0.216 258 L C 1.172 178.062 176.870 0.033 0.000 1.861 258 L CA -1.178 53.706 54.840 0.073 0.000 2.145 258 L CB -0.041 42.117 42.059 0.165 0.000 2.671 258 L HN 0.364 nan 8.230 nan 0.000 0.594 259 G N -1.160 107.637 108.800 -0.004 0.000 2.503 259 G HA2 0.486 4.446 3.960 0.000 0.000 0.257 259 G HA3 0.486 4.446 3.960 0.000 0.000 0.257 259 G C -0.395 174.319 174.900 -0.310 0.000 1.214 259 G CA 0.181 45.126 45.100 -0.260 0.000 0.839 259 G HN 0.672 nan 8.290 nan 0.000 0.559 260 G N -0.834 107.772 108.800 -0.323 0.000 2.932 260 G HA2 0.475 4.436 3.960 0.000 0.000 0.283 260 G HA3 0.475 4.436 3.960 0.000 0.000 0.283 260 G C -0.693 174.092 174.900 -0.191 0.000 1.336 260 G CA -0.639 44.376 45.100 -0.143 0.000 1.056 260 G HN 0.712 nan 8.290 nan 0.000 0.522 261 N N -0.985 117.744 118.700 0.048 0.000 2.805 261 N HA 0.327 5.067 4.740 0.000 0.000 0.216 261 N C -0.353 175.210 175.510 0.089 0.000 1.447 261 N CA -0.258 52.824 53.050 0.054 0.000 0.785 261 N CB 0.647 39.245 38.487 0.186 0.000 1.458 261 N HN 0.702 nan 8.380 nan 0.000 0.547 262 A N 2.475 125.292 122.820 -0.004 0.000 2.444 262 A HA 0.446 4.766 4.320 0.000 0.000 0.273 262 A C -2.239 175.297 177.584 -0.081 0.000 1.136 262 A CA -0.744 51.245 52.037 -0.081 0.000 0.799 262 A CB -0.113 18.869 19.000 -0.028 0.000 1.081 262 A HN 0.366 nan 8.150 nan 0.000 0.509 263 P HA 0.288 nan 4.420 nan 0.000 0.286 263 P C -1.017 176.305 177.300 0.037 0.000 1.269 263 P CA -0.092 63.003 63.100 -0.007 0.000 0.787 263 P CB 0.702 32.397 31.700 -0.008 0.000 0.920 264 F N 4.670 124.577 119.950 -0.071 0.000 2.388 264 F HA 0.491 5.019 4.527 0.000 0.000 0.358 264 F C -0.373 175.497 175.800 0.117 0.000 1.122 264 F CA -0.848 57.153 58.000 0.001 0.000 1.056 264 F CB 0.610 39.382 39.000 -0.379 0.000 1.155 264 F HN 0.134 nan 8.300 nan 0.000 0.461 265 I N 7.223 127.805 120.570 0.020 0.000 2.355 265 I HA 0.313 4.483 4.170 0.000 0.000 0.288 265 I C -1.010 175.172 176.117 0.108 0.000 0.999 265 I CA -0.877 60.467 61.300 0.073 0.000 1.163 265 I CB 1.595 39.527 38.000 -0.114 0.000 1.316 265 I HN 0.220 nan 8.210 nan 0.000 0.454 266 V N 7.253 127.274 119.914 0.177 0.000 2.313 266 V HA 0.339 4.459 4.120 0.000 0.000 0.278 266 V C -0.191 176.000 176.094 0.162 0.000 1.017 266 V CA -0.468 61.903 62.300 0.118 0.000 0.823 266 V CB 0.747 32.434 31.823 -0.226 0.000 1.010 266 V HN 0.375 nan 8.190 nan 0.000 0.443 267 F N 2.357 122.465 119.950 0.263 0.000 2.375 267 F HA 0.247 4.774 4.527 0.000 0.000 0.333 267 F C 1.626 177.459 175.800 0.056 0.000 1.104 267 F CA 0.037 58.185 58.000 0.248 0.000 1.149 267 F CB 0.897 40.020 39.000 0.205 0.000 1.190 267 F HN 0.639 nan 8.300 nan 0.000 0.533 268 D N 1.231 121.690 120.400 0.099 0.000 5.151 268 D HA -0.346 4.294 4.640 0.000 0.000 0.243 268 D C 1.280 177.586 176.300 0.009 0.000 1.563 268 D CA 2.544 56.448 54.000 -0.161 0.000 0.858 268 D CB -0.132 40.479 40.800 -0.316 0.000 0.880 268 D HN 0.657 nan 8.370 nan 0.000 0.721 269 D N -0.979 119.472 120.400 0.085 0.000 2.424 269 D HA 0.260 4.900 4.640 0.000 0.000 0.220 269 D C 0.141 176.510 176.300 0.115 0.000 1.150 269 D CA 0.116 54.158 54.000 0.070 0.000 0.831 269 D CB -0.439 40.380 40.800 0.031 0.000 0.981 269 D HN 0.338 nan 8.370 nan 0.000 0.500 270 A N 0.476 123.399 122.820 0.171 0.000 2.406 270 A HA 0.188 4.508 4.320 0.000 0.000 0.243 270 A C 0.251 177.944 177.584 0.182 0.000 1.082 270 A CA -0.335 51.832 52.037 0.217 0.000 0.786 270 A CB 0.293 19.461 19.000 0.280 0.000 1.029 270 A HN 0.148 nan 8.150 nan 0.000 0.495 271 D N 1.416 121.943 120.400 0.212 0.000 2.359 271 D HA 0.154 4.794 4.640 0.000 0.000 0.250 271 D C 0.828 177.242 176.300 0.190 0.000 1.264 271 D CA -0.312 53.795 54.000 0.178 0.000 0.911 271 D CB 0.463 41.369 40.800 0.177 0.000 1.056 271 D HN 0.255 nan 8.370 nan 0.000 0.499 272 L N 3.984 125.300 121.223 0.156 0.000 2.046 272 L HA -0.143 4.197 4.340 0.000 0.000 0.208 272 L C 1.808 178.764 176.870 0.143 0.000 1.077 272 L CA 1.475 56.420 54.840 0.176 0.000 0.747 272 L CB -0.454 41.697 42.059 0.154 0.000 0.896 272 L HN 0.413 nan 8.230 nan 0.000 0.432 273 D N -0.806 119.650 120.400 0.095 0.000 2.117 273 D HA -0.122 4.518 4.640 0.000 0.000 0.197 273 D C 2.207 178.554 176.300 0.078 0.000 0.987 273 D CA 1.401 55.435 54.000 0.056 0.000 0.829 273 D CB -0.017 40.809 40.800 0.044 0.000 0.961 273 D HN 0.327 nan 8.370 nan 0.000 0.460 274 A N 1.057 123.956 122.820 0.132 0.000 1.902 274 A HA -0.073 4.247 4.320 0.000 0.000 0.217 274 A C 2.320 179.987 177.584 0.137 0.000 1.181 274 A CA 2.233 54.390 52.037 0.200 0.000 0.623 274 A CB -0.699 18.482 19.000 0.301 0.000 0.818 274 A HN 0.235 nan 8.150 nan 0.000 0.443 275 A N -0.569 122.235 122.820 -0.027 0.000 1.902 275 A HA -0.022 4.298 4.320 0.000 0.000 0.217 275 A C 2.222 179.825 177.584 0.032 0.000 1.181 275 A CA 1.848 53.659 52.037 -0.376 0.000 0.623 275 A CB -0.921 18.036 19.000 -0.070 0.000 0.818 275 A HN 0.408 nan 8.150 nan 0.000 0.443 276 V N 0.059 120.018 119.914 0.076 0.000 2.358 276 V HA -0.193 3.927 4.120 0.000 0.000 0.246 276 V C 3.086 179.145 176.094 -0.057 0.000 1.047 276 V CA 2.530 64.775 62.300 -0.092 0.000 1.035 276 V CB -1.326 30.359 31.823 -0.230 0.000 0.658 276 V HN 0.790 nan 8.190 nan 0.000 0.452 277 E N 0.489 120.695 120.200 0.009 0.000 2.153 277 E HA -0.163 4.187 4.350 0.000 0.000 0.194 277 E C 2.288 178.949 176.600 0.102 0.000 0.988 277 E CA 1.507 57.936 56.400 0.049 0.000 0.811 277 E CB -1.186 28.560 29.700 0.077 0.000 0.746 277 E HN 0.669 nan 8.360 nan 0.000 0.466 278 G N 0.206 109.103 108.800 0.162 0.000 2.394 278 G HA2 0.095 4.055 3.960 0.000 0.000 0.215 278 G HA3 0.095 4.055 3.960 0.000 0.000 0.215 278 G C 2.035 177.037 174.900 0.171 0.000 1.165 278 G CA 1.596 46.881 45.100 0.308 0.000 0.784 278 G HN 0.859 nan 8.290 nan 0.000 0.535 279 A N 1.082 123.848 122.820 -0.090 0.000 1.908 279 A HA -0.002 4.318 4.320 0.000 0.000 0.218 279 A C 2.337 179.936 177.584 0.025 0.000 1.181 279 A CA 1.342 53.201 52.037 -0.296 0.000 0.627 279 A CB -0.304 18.525 19.000 -0.285 0.000 0.818 279 A HN 0.282 nan 8.150 nan 0.000 0.445 280 I N -0.235 120.372 120.570 0.062 0.000 2.226 280 I HA -0.230 3.940 4.170 0.000 0.000 0.245 280 I C 2.908 179.138 176.117 0.189 0.000 1.100 280 I CA 1.532 62.941 61.300 0.182 0.000 1.374 280 I CB -1.498 36.525 38.000 0.038 0.000 1.057 280 I HN 0.382 nan 8.210 nan 0.000 0.413 281 A N 0.977 123.861 122.820 0.107 0.000 1.872 281 A HA -0.160 4.160 4.320 0.000 0.000 0.214 281 A C 2.529 180.144 177.584 0.053 0.000 1.187 281 A CA 2.029 54.121 52.037 0.091 0.000 0.614 281 A CB -0.759 18.293 19.000 0.086 0.000 0.826 281 A HN 0.534 nan 8.150 nan 0.000 0.442 282 S N -0.360 115.326 115.700 -0.023 0.000 2.383 282 S HA -0.121 4.349 4.470 0.000 0.000 0.227 282 S C 1.817 176.363 174.600 -0.089 0.000 1.026 282 S CA 1.630 59.744 58.200 -0.144 0.000 0.981 282 S CB -0.168 62.734 63.200 -0.496 0.000 0.818 282 S HN 0.421 nan 8.310 nan 0.000 0.472 283 K N 0.088 120.434 120.400 -0.091 0.000 2.242 283 K HA 0.248 4.569 4.320 0.000 0.000 0.200 283 K C 0.923 177.325 176.600 -0.331 0.000 1.050 283 K CA 0.766 56.907 56.287 -0.244 0.000 0.981 283 K CB -0.240 32.077 32.500 -0.305 0.000 0.795 283 K HN 0.522 nan 8.250 nan 0.000 0.477 284 Y N 0.245 120.581 120.300 0.060 0.000 2.430 284 Y HA 0.263 4.814 4.550 0.000 0.000 0.248 284 Y C 0.091 176.031 175.900 0.067 0.000 1.108 284 Y CA -0.504 57.634 58.100 0.064 0.000 1.264 284 Y CB 0.230 38.715 38.460 0.042 0.000 1.172 284 Y HN -0.090 nan 8.280 nan 0.000 0.520 285 R N 0.710 121.315 120.500 0.176 0.000 2.594 285 R HA 0.110 4.450 4.340 0.000 0.000 0.272 285 R C 0.399 176.772 176.300 0.122 0.000 1.074 285 R CA 0.040 56.222 56.100 0.136 0.000 1.105 285 R CB 0.100 30.471 30.300 0.119 0.000 1.008 285 R HN 0.112 nan 8.270 nan 0.000 0.472 286 N N 1.185 119.934 118.700 0.081 0.000 2.708 286 N HA -0.276 4.464 4.740 0.000 0.000 0.249 286 N C -0.743 174.834 175.510 0.112 0.000 1.097 286 N CA 1.300 54.378 53.050 0.047 0.000 0.710 286 N CB -1.193 37.280 38.487 -0.023 0.000 1.032 286 N HN 0.943 nan 8.380 nan 0.000 0.551 287 N N -0.788 117.995 118.700 0.138 0.000 2.696 287 N HA -0.207 4.533 4.740 0.000 0.000 0.249 287 N C 0.788 176.389 175.510 0.152 0.000 1.090 287 N CA 2.519 55.672 53.050 0.171 0.000 0.716 287 N CB -1.448 37.133 38.487 0.157 0.000 1.020 287 N HN 1.203 nan 8.380 nan 0.000 0.548 288 G N -1.506 107.365 108.800 0.118 0.000 2.136 288 G HA2 -0.324 3.636 3.960 0.000 0.000 0.242 288 G HA3 -0.324 3.636 3.960 0.000 0.000 0.242 288 G C 0.439 175.453 174.900 0.189 0.000 0.989 288 G CA 0.568 45.715 45.100 0.077 0.000 0.682 288 G HN 0.604 nan 8.290 nan 0.000 0.522 289 Q N 0.096 120.041 119.800 0.242 0.000 2.247 289 Q HA 0.170 4.510 4.340 0.000 0.000 0.211 289 Q C 1.400 177.551 176.000 0.251 0.000 0.861 289 Q CA 0.613 56.622 55.803 0.342 0.000 0.949 289 Q CB 0.688 29.640 28.738 0.356 0.000 1.115 289 Q HN 0.732 nan 8.270 nan 0.000 0.507 290 T N -2.253 112.460 114.554 0.266 0.000 2.868 290 T HA 0.050 4.400 4.350 0.000 0.000 0.292 290 T C 1.571 176.454 174.700 0.306 0.000 1.028 290 T CA -0.504 61.786 62.100 0.317 0.000 1.059 290 T CB 1.257 70.364 68.868 0.399 0.000 0.991 290 T HN 0.404 nan 8.240 nan 0.000 0.531 291 C N 1.225 120.675 119.300 0.250 0.000 2.437 291 C HA 0.118 4.578 4.460 0.000 0.000 0.283 291 C C 2.200 177.305 174.990 0.191 0.000 1.424 291 C CA 0.180 59.348 59.018 0.250 0.000 1.782 291 C CB -2.044 25.798 27.740 0.170 0.000 1.833 291 C HN 0.839 nan 8.230 nan 0.000 0.532 292 V N -2.450 117.590 119.914 0.210 0.000 3.621 292 V HA 0.290 4.410 4.120 0.000 0.000 0.285 292 V C 0.957 177.181 176.094 0.217 0.000 1.346 292 V CA -0.644 61.771 62.300 0.192 0.000 1.104 292 V CB -2.101 29.874 31.823 0.252 0.000 0.913 292 V HN 0.573 nan 8.190 nan 0.000 0.432 293 C N 2.349 121.744 119.300 0.158 0.000 2.642 293 C HA 0.262 4.722 4.460 0.000 0.000 0.420 293 C C 1.465 176.486 174.990 0.050 0.000 1.349 293 C CA 0.426 59.502 59.018 0.098 0.000 1.821 293 C CB -0.353 27.418 27.740 0.052 0.000 2.637 293 C HN 0.621 nan 8.230 nan 0.000 0.605 294 T N 3.849 118.410 114.554 0.013 0.000 2.866 294 T HA -0.055 4.295 4.350 0.000 0.000 0.293 294 T C 0.983 175.576 174.700 -0.178 0.000 1.005 294 T CA 0.799 62.832 62.100 -0.112 0.000 1.162 294 T CB 0.094 68.696 68.868 -0.444 0.000 0.968 294 T HN 0.824 nan 8.240 nan 0.000 0.530 295 N N 2.306 120.914 118.700 -0.154 0.000 2.460 295 N HA 0.110 4.850 4.740 0.000 0.000 0.193 295 N C -0.067 175.392 175.510 -0.085 0.000 1.080 295 N CA 0.172 53.146 53.050 -0.128 0.000 0.869 295 N CB 0.632 39.039 38.487 -0.132 0.000 1.201 295 N HN 0.430 nan 8.380 nan 0.000 0.457 296 R N -0.140 120.275 120.500 -0.142 0.000 2.513 296 R HA 0.314 4.654 4.340 0.000 0.000 0.301 296 R C -1.439 174.723 176.300 -0.231 0.000 0.968 296 R CA -0.623 55.373 56.100 -0.174 0.000 0.872 296 R CB 1.367 31.355 30.300 -0.519 0.000 1.177 296 R HN -0.027 nan 8.270 nan 0.000 0.444 297 F N 2.892 122.852 119.950 0.017 0.000 2.411 297 F HA 0.365 4.892 4.527 0.000 0.000 0.350 297 F C -0.165 175.618 175.800 -0.029 0.000 1.114 297 F CA -0.232 57.820 58.000 0.086 0.000 1.135 297 F CB 0.700 39.772 39.000 0.120 0.000 1.120 297 F HN 0.329 nan 8.300 nan 0.000 0.495 298 F N 3.329 123.504 119.950 0.375 0.000 2.402 298 F HA 0.602 5.129 4.527 0.000 0.000 0.355 298 F C -0.458 175.611 175.800 0.449 0.000 1.123 298 F CA -0.948 57.280 58.000 0.381 0.000 1.021 298 F CB 1.401 40.462 39.000 0.103 0.000 1.160 298 F HN -0.006 nan 8.300 nan 0.000 0.451 299 V N 3.276 123.518 119.914 0.546 0.000 2.588 299 V HA 0.249 4.370 4.120 0.000 0.000 0.304 299 V C -0.125 175.873 176.094 -0.159 0.000 1.042 299 V CA -0.954 61.450 62.300 0.173 0.000 0.877 299 V CB 1.640 33.461 31.823 -0.005 0.000 0.996 299 V HN 0.644 nan 8.190 nan 0.000 0.425 300 H N 2.748 121.415 119.070 -0.671 0.000 2.771 300 H HA 0.147 4.703 4.556 0.000 0.000 0.364 300 H C 1.113 176.257 175.328 -0.307 0.000 1.133 300 H CA 0.665 56.133 56.048 -0.967 0.000 1.423 300 H CB 1.255 30.623 29.762 -0.657 0.000 1.425 300 H HN 0.827 nan 8.280 nan 0.000 0.606 301 E N 3.283 123.260 120.200 -0.372 0.000 2.114 301 E HA -0.223 4.127 4.350 0.000 0.000 0.199 301 E C 2.055 178.737 176.600 0.137 0.000 1.008 301 E CA 1.203 57.554 56.400 -0.083 0.000 0.810 301 E CB 0.118 29.726 29.700 -0.155 0.000 0.739 301 E HN 0.588 nan 8.360 nan 0.000 0.456 302 R N 0.394 121.066 120.500 0.286 0.000 2.189 302 R HA -0.062 4.278 4.340 0.000 0.000 0.218 302 R C 2.009 178.392 176.300 0.138 0.000 1.074 302 R CA 1.302 57.508 56.100 0.177 0.000 0.991 302 R CB 0.144 30.524 30.300 0.133 0.000 0.883 302 R HN 0.229 nan 8.270 nan 0.000 0.457 303 V N -4.117 115.890 119.914 0.156 0.000 3.477 303 V HA 0.097 4.217 4.120 0.000 0.000 0.297 303 V C 1.440 177.637 176.094 0.171 0.000 1.433 303 V CA -0.400 61.982 62.300 0.137 0.000 1.052 303 V CB -0.629 31.259 31.823 0.107 0.000 0.895 303 V HN 0.047 nan 8.190 nan 0.000 0.438 304 Y N 2.457 122.797 120.300 0.066 0.000 2.070 304 Y HA -0.194 4.356 4.550 0.000 0.000 0.280 304 Y C 2.258 178.221 175.900 0.105 0.000 1.148 304 Y CA 2.612 60.757 58.100 0.076 0.000 1.125 304 Y CB -0.097 38.377 38.460 0.023 0.000 0.975 304 Y HN 0.287 nan 8.280 nan 0.000 0.492 305 D N -0.061 120.485 120.400 0.242 0.000 2.117 305 D HA -0.191 4.449 4.640 0.000 0.000 0.197 305 D C 2.249 178.568 176.300 0.031 0.000 0.987 305 D CA 1.540 55.616 54.000 0.127 0.000 0.829 305 D CB -0.706 40.175 40.800 0.136 0.000 0.961 305 D HN 0.488 nan 8.370 nan 0.000 0.460 306 A N 0.304 123.160 122.820 0.061 0.000 1.902 306 A HA -0.157 4.163 4.320 0.000 0.000 0.217 306 A C 2.124 179.716 177.584 0.014 0.000 1.181 306 A CA 1.002 53.061 52.037 0.037 0.000 0.623 306 A CB -0.993 18.044 19.000 0.063 0.000 0.818 306 A HN 0.258 nan 8.150 nan 0.000 0.443 307 F N 0.986 120.873 119.950 -0.104 0.000 2.134 307 F HA -0.043 4.484 4.527 0.000 0.000 0.299 307 F C 2.472 178.133 175.800 -0.233 0.000 1.097 307 F CA 1.171 59.079 58.000 -0.153 0.000 1.264 307 F CB -0.343 38.571 39.000 -0.144 0.000 1.001 307 F HN 0.244 nan 8.300 nan 0.000 0.479 308 A N 0.033 122.701 122.820 -0.252 0.000 1.902 308 A HA -0.180 4.140 4.320 0.000 0.000 0.217 308 A C 1.968 179.371 177.584 -0.303 0.000 1.181 308 A CA 1.949 53.775 52.037 -0.352 0.000 0.623 308 A CB -0.986 17.820 19.000 -0.323 0.000 0.818 308 A HN 0.430 nan 8.150 nan 0.000 0.443 309 D N -0.108 120.168 120.400 -0.207 0.000 2.097 309 D HA -0.117 4.523 4.640 0.000 0.000 0.195 309 D C 1.930 178.104 176.300 -0.210 0.000 0.989 309 D CA 1.415 55.316 54.000 -0.165 0.000 0.827 309 D CB -0.270 40.470 40.800 -0.100 0.000 0.966 309 D HN 0.494 nan 8.370 nan 0.000 0.456 310 K N -0.065 120.181 120.400 -0.257 0.000 2.097 310 K HA -0.079 4.242 4.320 0.000 0.000 0.205 310 K C 2.036 178.420 176.600 -0.359 0.000 1.050 310 K CA 0.305 56.432 56.287 -0.266 0.000 0.938 310 K CB -0.082 32.274 32.500 -0.240 0.000 0.718 310 K HN 0.039 nan 8.250 nan 0.000 0.442 311 L N 0.968 121.863 121.223 -0.547 0.000 2.072 311 L HA -0.041 4.299 4.340 0.000 0.000 0.205 311 L C 2.182 178.834 176.870 -0.364 0.000 1.079 311 L CA 1.565 56.066 54.840 -0.565 0.000 0.752 311 L CB -0.536 41.006 42.059 -0.861 0.000 0.906 311 L HN 0.082 nan 8.230 nan 0.000 0.436 312 A N -0.525 122.112 122.820 -0.304 0.000 1.930 312 A HA -0.054 4.266 4.320 0.000 0.000 0.217 312 A C 2.429 179.907 177.584 -0.178 0.000 1.175 312 A CA 1.557 53.468 52.037 -0.209 0.000 0.627 312 A CB -1.062 17.838 19.000 -0.166 0.000 0.815 312 A HN 0.545 nan 8.150 nan 0.000 0.443 313 A N -0.173 122.541 122.820 -0.176 0.000 1.933 313 A HA 0.175 4.495 4.320 0.000 0.000 0.218 313 A C 2.449 179.943 177.584 -0.149 0.000 1.175 313 A CA 2.005 53.957 52.037 -0.141 0.000 0.628 313 A CB -0.838 18.087 19.000 -0.125 0.000 0.814 313 A HN 0.991 nan 8.150 nan 0.000 0.444 314 A N -0.847 121.862 122.820 -0.185 0.000 1.930 314 A HA 0.124 4.444 4.320 0.000 0.000 0.215 314 A C 2.171 179.625 177.584 -0.217 0.000 1.176 314 A CA 1.445 53.372 52.037 -0.183 0.000 0.632 314 A CB -0.687 18.195 19.000 -0.197 0.000 0.819 314 A HN 0.329 nan 8.150 nan 0.000 0.445 315 V N 1.077 120.832 119.914 -0.265 0.000 2.427 315 V HA -0.216 3.904 4.120 0.000 0.000 0.248 315 V C 2.972 178.928 176.094 -0.230 0.000 1.051 315 V CA 2.253 64.347 62.300 -0.342 0.000 1.048 315 V CB -0.714 30.893 31.823 -0.360 0.000 0.666 315 V HN 0.812 nan 8.190 nan 0.000 0.456 316 S N 0.902 116.504 115.700 -0.163 0.000 2.419 316 S HA -0.171 4.299 4.470 0.000 0.000 0.233 316 S C 1.922 176.463 174.600 -0.097 0.000 1.016 316 S CA 1.573 59.706 58.200 -0.112 0.000 0.974 316 S CB -0.480 62.663 63.200 -0.096 0.000 0.786 316 S HN 0.633 nan 8.310 nan 0.000 0.492 317 K N 0.737 121.072 120.400 -0.109 0.000 2.444 317 K HA 0.526 4.846 4.320 0.000 0.000 0.193 317 K C 0.626 177.175 176.600 -0.084 0.000 1.024 317 K CA 0.231 56.466 56.287 -0.086 0.000 1.077 317 K CB -0.688 31.763 32.500 -0.082 0.000 0.833 317 K HN 0.593 nan 8.250 nan 0.000 0.517 318 L N 1.434 122.592 121.223 -0.109 0.000 2.305 318 L HA 0.316 4.656 4.340 0.000 0.000 0.281 318 L C 0.218 177.052 176.870 -0.060 0.000 1.085 318 L CA -0.625 54.157 54.840 -0.097 0.000 0.813 318 L CB 1.659 43.623 42.059 -0.157 0.000 1.157 318 L HN 0.149 nan 8.230 nan 0.000 0.436 319 K N 2.344 122.720 120.400 -0.040 0.000 2.240 319 K HA 0.434 4.754 4.320 0.000 0.000 0.271 319 K C -0.942 175.637 176.600 -0.035 0.000 1.018 319 K CA -0.556 55.712 56.287 -0.030 0.000 0.874 319 K CB 1.278 33.761 32.500 -0.028 0.000 1.098 319 K HN 0.294 nan 8.250 nan 0.000 0.458 320 V N 3.031 122.909 119.914 -0.060 0.000 2.546 320 V HA 0.694 4.814 4.120 0.000 0.000 0.284 320 V C 0.654 176.589 176.094 -0.265 0.000 1.050 320 V CA -0.157 62.049 62.300 -0.158 0.000 0.981 320 V CB 1.053 32.674 31.823 -0.336 0.000 0.990 320 V HN 0.991 nan 8.190 nan 0.000 0.474 321 G N 2.280 110.940 108.800 -0.234 0.000 2.387 321 G HA2 0.604 4.564 3.960 0.000 0.000 0.294 321 G HA3 0.604 4.564 3.960 0.000 0.000 0.294 321 G C -0.643 174.245 174.900 -0.020 0.000 1.509 321 G CA -0.399 44.538 45.100 -0.271 0.000 0.806 321 G HN 0.904 nan 8.290 nan 0.000 0.546 322 R N -0.695 119.811 120.500 0.009 0.000 2.756 322 R HA 0.534 4.875 4.340 0.000 0.000 0.264 322 R C 1.841 178.216 176.300 0.124 0.000 1.026 322 R CA 1.260 57.487 56.100 0.212 0.000 1.121 322 R CB -0.416 29.975 30.300 0.151 0.000 0.999 322 R HN 2.262 nan 8.270 nan 0.000 0.449 323 G N -0.290 108.582 108.800 0.120 0.000 2.450 323 G HA2 -0.273 3.687 3.960 0.000 0.000 0.220 323 G HA3 -0.273 3.687 3.960 0.000 0.000 0.220 323 G C 1.486 176.412 174.900 0.044 0.000 1.130 323 G CA 1.687 46.830 45.100 0.071 0.000 0.760 323 G HN 1.101 nan 8.290 nan 0.000 0.557 324 T N -1.897 112.680 114.554 0.038 0.000 3.169 324 T HA 0.269 4.619 4.350 0.000 0.000 0.250 324 T C 0.604 175.314 174.700 0.016 0.000 1.111 324 T CA -0.082 62.032 62.100 0.023 0.000 1.010 324 T CB 0.274 69.152 68.868 0.017 0.000 0.984 324 T HN 0.339 nan 8.240 nan 0.000 0.537 325 E N 1.484 121.694 120.200 0.017 0.000 2.313 325 E HA 0.370 4.720 4.350 0.000 0.000 0.272 325 E C -0.566 176.036 176.600 0.003 0.000 1.038 325 E CA -0.452 55.951 56.400 0.005 0.000 0.863 325 E CB 0.849 30.546 29.700 -0.005 0.000 1.060 325 E HN 0.199 nan 8.360 nan 0.000 0.402 326 S N 1.633 117.332 115.700 -0.002 0.000 2.498 326 S HA 0.297 4.767 4.470 0.000 0.000 0.281 326 S C 0.844 175.440 174.600 -0.006 0.000 1.265 326 S CA 0.519 58.718 58.200 -0.002 0.000 1.071 326 S CB 0.766 63.964 63.200 -0.004 0.000 0.894 326 S HN 0.857 nan 8.310 nan 0.000 0.491 327 G N 2.313 111.112 108.800 -0.003 0.000 2.176 327 G HA2 -0.198 3.762 3.960 0.000 0.000 0.253 327 G HA3 -0.198 3.762 3.960 0.000 0.000 0.253 327 G C 0.199 175.095 174.900 -0.007 0.000 0.979 327 G CA -0.188 44.908 45.100 -0.006 0.000 0.641 327 G HN 1.184 nan 8.290 nan 0.000 0.530 328 A N 0.903 123.722 122.820 -0.002 0.000 2.395 328 A HA 0.641 4.961 4.320 0.000 0.000 0.286 328 A C 1.421 179.017 177.584 0.019 0.000 1.193 328 A CA 1.381 53.419 52.037 0.002 0.000 0.852 328 A CB 0.120 19.125 19.000 0.009 0.000 1.118 328 A HN 1.242 nan 8.150 nan 0.000 0.524 329 T N 0.578 115.143 114.554 0.018 0.000 3.001 329 T HA 0.354 4.704 4.350 0.000 0.000 0.251 329 T C 0.228 174.962 174.700 0.056 0.000 1.040 329 T CA 0.234 62.352 62.100 0.030 0.000 0.985 329 T CB -0.266 68.611 68.868 0.014 0.000 1.011 329 T HN 0.354 nan 8.240 nan 0.000 0.509 330 L N 1.909 123.172 121.223 0.066 0.000 2.372 330 L HA 0.706 5.046 4.340 0.000 0.000 0.274 330 L C 0.731 177.697 176.870 0.160 0.000 0.988 330 L CA -1.110 53.797 54.840 0.111 0.000 0.833 330 L CB 1.828 43.956 42.059 0.115 0.000 1.236 330 L HN 0.244 nan 8.230 nan 0.000 0.410 331 G N 3.109 111.999 108.800 0.150 0.000 2.535 331 G HA2 0.560 4.520 3.960 0.000 0.000 0.282 331 G HA3 0.560 4.520 3.960 0.000 0.000 0.282 331 G C -2.663 172.278 174.900 0.069 0.000 1.350 331 G CA -0.976 44.219 45.100 0.159 0.000 1.039 331 G HN 0.313 nan 8.290 nan 0.000 0.509 332 P HA 0.306 nan 4.420 nan 0.000 0.279 332 P C -0.500 176.673 177.300 -0.211 0.000 1.252 332 P CA -0.726 62.049 63.100 -0.542 0.000 0.811 332 P CB 1.189 32.223 31.700 -1.111 0.000 1.035 333 L N 2.048 123.191 121.223 -0.133 0.000 2.482 333 L HA 0.014 4.354 4.340 0.000 0.000 0.273 333 L C 2.187 178.936 176.870 -0.201 0.000 1.228 333 L CA 0.228 55.014 54.840 -0.091 0.000 0.827 333 L CB -0.959 41.073 42.059 -0.045 0.000 1.099 333 L HN 0.361 nan 8.230 nan 0.000 0.494 334 I N 1.470 121.850 120.570 -0.317 0.000 2.226 334 I HA -0.215 3.955 4.170 0.000 0.000 0.245 334 I C 0.694 176.589 176.117 -0.370 0.000 1.100 334 I CA 1.257 62.255 61.300 -0.505 0.000 1.374 334 I CB -0.170 37.086 38.000 -1.239 0.000 1.057 334 I HN 0.988 nan 8.210 nan 0.000 0.413 335 N N -2.542 115.977 118.700 -0.302 0.000 3.039 335 N HA 0.116 4.856 4.740 0.000 0.000 0.257 335 N C 0.391 175.823 175.510 -0.130 0.000 1.497 335 N CA -0.614 52.315 53.050 -0.202 0.000 0.861 335 N CB 0.178 38.535 38.487 -0.216 0.000 1.479 335 N HN -0.162 nan 8.380 nan 0.000 0.547 336 E N -0.134 120.010 120.200 -0.093 0.000 2.153 336 E HA -0.112 4.238 4.350 0.000 0.000 0.194 336 E C 1.530 178.100 176.600 -0.050 0.000 0.988 336 E CA 1.336 57.704 56.400 -0.054 0.000 0.811 336 E CB -0.332 29.340 29.700 -0.046 0.000 0.746 336 E HN 0.657 nan 8.360 nan 0.000 0.466 337 A N 1.138 123.918 122.820 -0.067 0.000 1.902 337 A HA -0.114 4.206 4.320 0.000 0.000 0.217 337 A C 2.424 179.977 177.584 -0.053 0.000 1.181 337 A CA 1.999 54.004 52.037 -0.054 0.000 0.623 337 A CB -0.612 18.355 19.000 -0.055 0.000 0.818 337 A HN 0.318 nan 8.150 nan 0.000 0.443 338 A N -0.559 122.219 122.820 -0.070 0.000 1.933 338 A HA -0.002 4.318 4.320 0.000 0.000 0.218 338 A C 2.199 179.740 177.584 -0.072 0.000 1.175 338 A CA 1.813 53.819 52.037 -0.050 0.000 0.628 338 A CB -0.819 18.138 19.000 -0.071 0.000 0.814 338 A HN 0.407 nan 8.150 nan 0.000 0.444 339 V N 0.098 119.974 119.914 -0.063 0.000 2.358 339 V HA -0.190 3.930 4.120 0.000 0.000 0.246 339 V C 3.153 179.200 176.094 -0.079 0.000 1.047 339 V CA 2.500 64.764 62.300 -0.059 0.000 1.035 339 V CB -1.193 30.669 31.823 0.066 0.000 0.658 339 V HN 0.719 nan 8.190 nan 0.000 0.452 340 K N 0.749 121.122 120.400 -0.044 0.000 2.057 340 K HA -0.219 4.101 4.320 0.000 0.000 0.207 340 K C 2.140 178.688 176.600 -0.087 0.000 1.049 340 K CA 2.086 58.351 56.287 -0.037 0.000 0.931 340 K CB -0.602 31.883 32.500 -0.024 0.000 0.714 340 K HN 0.569 nan 8.250 nan 0.000 0.440 341 K N 0.145 120.472 120.400 -0.121 0.000 2.057 341 K HA -0.053 4.267 4.320 0.000 0.000 0.206 341 K C 2.077 178.492 176.600 -0.310 0.000 1.050 341 K CA 1.321 57.479 56.287 -0.215 0.000 0.935 341 K CB -0.313 32.087 32.500 -0.168 0.000 0.715 341 K HN 0.119 nan 8.250 nan 0.000 0.439 342 V N 1.420 121.180 119.914 -0.257 0.000 2.287 342 V HA -0.268 3.852 4.120 0.000 0.000 0.248 342 V C 2.250 178.192 176.094 -0.253 0.000 1.053 342 V CA 2.273 64.387 62.300 -0.309 0.000 1.027 342 V CB -0.519 30.952 31.823 -0.587 0.000 0.646 342 V HN 0.457 nan 8.190 nan 0.000 0.447 343 E N -0.246 119.826 120.200 -0.214 0.000 2.085 343 E HA -0.246 4.104 4.350 0.000 0.000 0.194 343 E C 2.444 179.056 176.600 0.021 0.000 0.994 343 E CA 1.568 57.970 56.400 0.003 0.000 0.801 343 E CB -0.222 29.529 29.700 0.084 0.000 0.743 343 E HN 0.543 nan 8.360 nan 0.000 0.453 344 S N -0.940 114.735 115.700 -0.040 0.000 2.383 344 S HA -0.174 4.296 4.470 0.000 0.000 0.227 344 S C 1.676 176.310 174.600 0.058 0.000 1.026 344 S CA 1.235 59.425 58.200 -0.017 0.000 0.981 344 S CB -0.271 62.885 63.200 -0.073 0.000 0.818 344 S HN 0.437 nan 8.310 nan 0.000 0.472 345 H N 0.026 119.101 119.070 0.008 0.000 2.389 345 H HA 0.085 4.641 4.556 0.000 0.000 0.299 345 H C 2.034 177.374 175.328 0.020 0.000 1.081 345 H CA 1.492 57.548 56.048 0.014 0.000 1.345 345 H CB -0.015 29.750 29.762 0.003 0.000 1.393 345 H HN 0.385 nan 8.280 nan 0.000 0.520 346 I N 0.473 121.134 120.570 0.152 0.000 2.252 346 I HA -0.222 3.948 4.170 0.000 0.000 0.245 346 I C 2.757 178.930 176.117 0.093 0.000 1.102 346 I CA 0.842 62.212 61.300 0.118 0.000 1.385 346 I CB -0.229 37.860 38.000 0.148 0.000 1.064 346 I HN 0.273 nan 8.210 nan 0.000 0.414 347 A N 0.498 123.371 122.820 0.089 0.000 1.902 347 A HA -0.292 4.028 4.320 0.000 0.000 0.217 347 A C 1.982 179.602 177.584 0.060 0.000 1.181 347 A CA 2.305 54.383 52.037 0.069 0.000 0.623 347 A CB -0.734 18.303 19.000 0.062 0.000 0.818 347 A HN 0.486 nan 8.150 nan 0.000 0.443 348 D N -0.305 120.140 120.400 0.074 0.000 2.097 348 D HA -0.027 4.613 4.640 0.000 0.000 0.195 348 D C 2.031 178.357 176.300 0.045 0.000 0.989 348 D CA 1.701 55.741 54.000 0.067 0.000 0.827 348 D CB -0.216 40.641 40.800 0.095 0.000 0.966 348 D HN 0.321 nan 8.370 nan 0.000 0.456 349 A N -0.016 122.828 122.820 0.041 0.000 1.865 349 A HA -0.138 4.182 4.320 0.000 0.000 0.217 349 A C 2.151 179.740 177.584 0.007 0.000 1.191 349 A CA 1.351 53.392 52.037 0.007 0.000 0.623 349 A CB -0.960 18.038 19.000 -0.003 0.000 0.826 349 A HN 0.341 nan 8.150 nan 0.000 0.444 350 L N -0.428 120.809 121.223 0.024 0.000 2.046 350 L HA -0.116 4.224 4.340 0.000 0.000 0.208 350 L C 2.933 179.814 176.870 0.017 0.000 1.077 350 L CA 1.944 56.797 54.840 0.021 0.000 0.747 350 L CB -1.048 41.030 42.059 0.032 0.000 0.896 350 L HN 0.408 nan 8.230 nan 0.000 0.432 351 A N -1.432 121.402 122.820 0.023 0.000 2.121 351 A HA -0.148 4.172 4.320 0.000 0.000 0.218 351 A C 1.981 179.574 177.584 0.014 0.000 1.154 351 A CA 1.227 53.276 52.037 0.020 0.000 0.679 351 A CB -0.347 18.668 19.000 0.025 0.000 0.795 351 A HN 0.414 nan 8.150 nan 0.000 0.458 352 K N -1.749 118.657 120.400 0.010 0.000 2.414 352 K HA 0.309 4.629 4.320 0.000 0.000 0.204 352 K C 0.824 177.421 176.600 -0.006 0.000 1.026 352 K CA 0.461 56.751 56.287 0.004 0.000 1.108 352 K CB 0.505 33.008 32.500 0.006 0.000 0.855 352 K HN 0.541 nan 8.250 nan 0.000 0.517 353 G N 1.038 109.834 108.800 -0.006 0.000 2.211 353 G HA2 -0.220 3.740 3.960 0.000 0.000 0.201 353 G HA3 -0.220 3.740 3.960 0.000 0.000 0.201 353 G C 0.244 175.134 174.900 -0.017 0.000 0.997 353 G CA -0.136 44.957 45.100 -0.011 0.000 0.652 353 G HN 0.399 nan 8.290 nan 0.000 0.500 354 A N 0.186 122.993 122.820 -0.022 0.000 2.386 354 A HA 0.735 5.055 4.320 0.000 0.000 0.248 354 A C 0.633 178.213 177.584 -0.007 0.000 1.082 354 A CA 0.994 53.015 52.037 -0.026 0.000 0.789 354 A CB 0.568 19.542 19.000 -0.044 0.000 1.025 354 A HN 1.027 nan 8.150 nan 0.000 0.490 355 S N 0.114 115.814 115.700 -0.000 0.000 2.472 355 S HA 0.484 4.954 4.470 0.000 0.000 0.303 355 S C -0.575 174.030 174.600 0.008 0.000 1.099 355 S CA -0.451 57.753 58.200 0.007 0.000 1.077 355 S CB 1.178 64.385 63.200 0.012 0.000 1.031 355 S HN 0.625 nan 8.310 nan 0.000 0.487 356 L N 3.348 124.577 121.223 0.010 0.000 2.319 356 L HA 0.425 4.765 4.340 0.000 0.000 0.280 356 L C 0.598 177.467 176.870 -0.001 0.000 1.099 356 L CA 0.508 55.356 54.840 0.013 0.000 0.828 356 L CB 0.620 42.690 42.059 0.018 0.000 1.150 356 L HN 0.881 nan 8.230 nan 0.000 0.442 357 M N 1.988 121.583 119.600 -0.008 0.000 2.470 357 M HA 0.210 4.690 4.480 0.000 0.000 0.262 357 M C -0.081 176.197 176.300 -0.036 0.000 1.211 357 M CA 0.251 55.534 55.300 -0.029 0.000 1.125 357 M CB 0.701 33.271 32.600 -0.049 0.000 1.480 357 M HN 0.672 nan 8.290 nan 0.000 0.541 358 T N -0.955 113.587 114.554 -0.021 0.000 2.886 358 T HA 0.543 4.893 4.350 0.000 0.000 0.330 358 T C -0.075 174.632 174.700 0.011 0.000 1.488 358 T CA 0.218 62.305 62.100 -0.023 0.000 1.054 358 T CB 1.059 69.898 68.868 -0.050 0.000 1.348 358 T HN 0.653 nan 8.240 nan 0.000 0.489 359 G N 2.240 111.040 108.800 0.000 0.000 2.574 359 G HA2 0.224 4.184 3.960 0.000 0.000 0.286 359 G HA3 0.224 4.184 3.960 0.000 0.000 0.286 359 G C 1.067 175.977 174.900 0.017 0.000 1.212 359 G CA 1.386 46.493 45.100 0.011 0.000 0.979 359 G HN 2.478 nan 8.290 nan 0.000 0.557 360 G N -3.397 105.451 108.800 0.079 0.000 2.184 360 G HA2 0.523 4.483 3.960 0.000 0.000 0.206 360 G HA3 0.523 4.483 3.960 0.000 0.000 0.206 360 G C 0.521 175.456 174.900 0.057 0.000 0.995 360 G CA 1.569 46.752 45.100 0.138 0.000 0.651 360 G HN 2.611 nan 8.290 nan 0.000 0.511 361 K N -0.127 120.086 120.400 -0.312 0.000 2.522 361 K HA 0.890 5.210 4.320 0.000 0.000 0.275 361 K C 0.203 176.107 176.600 -1.160 0.000 1.006 361 K CA -0.294 55.698 56.287 -0.491 0.000 0.890 361 K CB 0.704 33.069 32.500 -0.225 0.000 1.475 361 K HN 0.630 nan 8.250 nan 0.000 0.441 362 R N 1.497 121.577 120.500 -0.700 0.000 2.679 362 R HA 0.151 4.491 4.340 0.000 0.000 0.268 362 R C 0.392 176.550 176.300 -0.236 0.000 1.044 362 R CA -0.576 55.266 56.100 -0.431 0.000 1.105 362 R CB 0.256 30.531 30.300 -0.043 0.000 0.989 362 R HN 0.713 nan 8.270 nan 0.000 0.447 363 H N 0.819 119.797 119.070 -0.153 0.000 2.603 363 H HA 0.063 4.619 4.556 0.000 0.000 0.370 363 H C 0.852 176.150 175.328 -0.050 0.000 1.225 363 H CA 0.466 56.467 56.048 -0.078 0.000 1.410 363 H CB 1.393 31.169 29.762 0.023 0.000 1.495 363 H HN 0.732 nan 8.280 nan 0.000 0.602 364 A N 3.892 126.532 122.820 -0.300 0.000 1.908 364 A HA -0.174 4.146 4.320 0.000 0.000 0.218 364 A C 2.800 180.422 177.584 0.064 0.000 1.181 364 A CA 2.013 53.975 52.037 -0.124 0.000 0.627 364 A CB -1.302 17.571 19.000 -0.213 0.000 0.818 364 A HN 0.658 nan 8.150 nan 0.000 0.445 365 L N -1.331 120.045 121.223 0.255 0.000 2.642 365 L HA 0.364 4.705 4.340 0.000 0.000 0.236 365 L C 1.909 178.950 176.870 0.286 0.000 1.169 365 L CA 1.600 56.520 54.840 0.134 0.000 0.851 365 L CB -2.346 39.540 42.059 -0.288 0.000 0.968 365 L HN 1.770 nan 8.230 nan 0.000 0.453 366 G N -2.156 106.792 108.800 0.246 0.000 2.569 366 G HA2 -0.234 3.726 3.960 0.000 0.000 0.259 366 G HA3 -0.234 3.726 3.960 0.000 0.000 0.259 366 G C 0.408 175.458 174.900 0.249 0.000 1.263 366 G CA 0.823 45.991 45.100 0.114 0.000 0.928 366 G HN 1.747 nan 8.290 nan 0.000 0.572 367 H N -2.074 117.087 119.070 0.152 0.000 1.452 367 H HA -0.270 4.287 4.556 0.000 0.000 0.090 367 H C 2.151 177.480 175.328 0.002 0.000 0.989 367 H CA 3.085 59.168 56.048 0.059 0.000 1.901 367 H CB -1.328 28.459 29.762 0.042 0.000 2.257 367 H HN 1.680 nan 8.280 nan 0.000 0.961 368 G N -0.031 108.767 108.800 -0.004 0.000 2.939 368 G HA2 0.222 4.182 3.960 0.000 0.000 0.210 368 G HA3 0.222 4.182 3.960 0.000 0.000 0.210 368 G C -0.329 174.525 174.900 -0.078 0.000 1.160 368 G CA -0.093 44.937 45.100 -0.117 0.000 0.770 368 G HN 0.184 nan 8.290 nan 0.000 0.543 369 F N 0.364 120.399 119.950 0.142 0.000 2.484 369 F HA 0.537 5.064 4.527 0.000 0.000 0.360 369 F C -0.103 175.836 175.800 0.231 0.000 1.101 369 F CA -0.682 57.390 58.000 0.121 0.000 1.251 369 F CB 0.584 39.588 39.000 0.006 0.000 1.132 369 F HN -0.053 nan 8.300 nan 0.000 0.570 370 F N 1.634 121.741 119.950 0.260 0.000 2.588 370 F HA 0.357 4.884 4.527 0.000 0.000 0.310 370 F C -0.314 175.618 175.800 0.220 0.000 1.082 370 F CA -0.982 57.147 58.000 0.214 0.000 0.929 370 F CB 1.411 40.499 39.000 0.146 0.000 1.254 370 F HN 0.433 nan 8.300 nan 0.000 0.455 371 E N 5.101 125.278 120.200 -0.040 0.000 2.344 371 E HA 0.168 4.518 4.350 0.000 0.000 0.270 371 E C -2.356 174.420 176.600 0.294 0.000 1.021 371 E CA -1.616 54.849 56.400 0.108 0.000 0.887 371 E CB 0.426 30.084 29.700 -0.070 0.000 0.997 371 E HN 0.177 nan 8.360 nan 0.000 0.429 372 P HA -0.022 nan 4.420 nan 0.000 0.262 372 P C -1.042 176.391 177.300 0.221 0.000 1.199 372 P CA 0.329 63.583 63.100 0.258 0.000 0.763 372 P CB 0.570 32.281 31.700 0.019 0.000 0.790 373 T N 2.784 117.529 114.554 0.319 0.000 2.855 373 T HA 0.500 4.850 4.350 0.000 0.000 0.281 373 T C -0.256 174.557 174.700 0.189 0.000 1.007 373 T CA -0.482 61.754 62.100 0.226 0.000 1.009 373 T CB 1.136 70.164 68.868 0.267 0.000 0.983 373 T HN -0.028 nan 8.240 nan 0.000 0.455 374 V N 3.906 123.874 119.914 0.090 0.000 2.588 374 V HA 0.552 4.672 4.120 0.000 0.000 0.304 374 V C -0.703 175.397 176.094 0.011 0.000 1.042 374 V CA -0.817 61.499 62.300 0.028 0.000 0.877 374 V CB 1.670 33.458 31.823 -0.058 0.000 0.996 374 V HN 0.707 nan 8.190 nan 0.000 0.425 375 L N 4.326 125.551 121.223 0.003 0.000 2.362 375 L HA 0.724 5.064 4.340 0.000 0.000 0.275 375 L C 0.295 177.155 176.870 -0.017 0.000 0.998 375 L CA -0.338 54.499 54.840 -0.005 0.000 0.820 375 L CB 2.560 44.617 42.059 -0.003 0.000 1.270 375 L HN 0.795 nan 8.230 nan 0.000 0.415 376 T N -1.896 112.664 114.554 0.009 0.000 2.948 376 T HA 0.590 4.940 4.350 0.000 0.000 0.285 376 T C 0.909 175.640 174.700 0.052 0.000 1.019 376 T CA -0.109 62.043 62.100 0.087 0.000 1.013 376 T CB 1.648 70.599 68.868 0.138 0.000 1.117 376 T HN 0.930 nan 8.240 nan 0.000 0.533 377 G N -0.100 108.751 108.800 0.086 0.000 2.225 377 G HA2 -0.189 3.772 3.960 0.000 0.000 0.267 377 G HA3 -0.189 3.772 3.960 0.000 0.000 0.267 377 G C -0.012 174.819 174.900 -0.116 0.000 1.024 377 G CA 0.026 45.105 45.100 -0.034 0.000 0.784 377 G HN 0.978 nan 8.290 nan 0.000 0.507 378 V N 0.118 119.901 119.914 -0.217 0.000 2.461 378 V HA 0.698 4.818 4.120 0.000 0.000 0.275 378 V C 0.759 176.499 176.094 -0.589 0.000 1.047 378 V CA 0.629 62.651 62.300 -0.463 0.000 0.955 378 V CB 0.855 32.252 31.823 -0.710 0.000 0.988 378 V HN 0.858 nan 8.190 nan 0.000 0.471 379 K N 5.844 126.051 120.400 -0.321 0.000 2.238 379 K HA 0.692 5.012 4.320 0.000 0.000 0.239 379 K C -2.286 174.408 176.600 0.157 0.000 0.987 379 K CA -1.711 54.547 56.287 -0.049 0.000 0.857 379 K CB 0.519 33.017 32.500 -0.003 0.000 1.154 379 K HN 0.451 nan 8.250 nan 0.000 0.439 380 P HA -0.115 nan 4.420 nan 0.000 0.222 380 P C 0.324 177.737 177.300 0.187 0.000 1.147 380 P CA 1.341 64.636 63.100 0.326 0.000 0.790 380 P CB 0.209 32.054 31.700 0.242 0.000 0.780 381 D N -1.953 118.519 120.400 0.121 0.000 2.363 381 D HA -0.077 4.563 4.640 0.000 0.000 0.226 381 D C 0.639 176.981 176.300 0.070 0.000 1.020 381 D CA 0.463 54.512 54.000 0.081 0.000 0.892 381 D CB -0.794 40.041 40.800 0.057 0.000 0.900 381 D HN 0.148 nan 8.370 nan 0.000 0.531 382 M N 0.396 120.039 119.600 0.072 0.000 2.255 382 M HA 0.151 4.631 4.480 0.000 0.000 0.336 382 M C 0.622 176.952 176.300 0.050 0.000 1.135 382 M CA -0.633 54.693 55.300 0.043 0.000 1.145 382 M CB 1.043 33.638 32.600 -0.009 0.000 1.473 382 M HN -0.309 nan 8.290 nan 0.000 0.462 383 D N 1.011 121.433 120.400 0.037 0.000 2.149 383 D HA -0.137 4.503 4.640 0.000 0.000 0.198 383 D C 1.800 178.025 176.300 -0.125 0.000 0.990 383 D CA 1.109 55.132 54.000 0.038 0.000 0.839 383 D CB -0.039 40.864 40.800 0.171 0.000 0.948 383 D HN 0.430 nan 8.370 nan 0.000 0.460 384 V N 0.548 120.285 119.914 -0.295 0.000 2.720 384 V HA -0.193 3.927 4.120 0.000 0.000 0.256 384 V C 2.006 178.052 176.094 -0.080 0.000 1.082 384 V CA 1.871 63.906 62.300 -0.442 0.000 1.101 384 V CB -0.378 31.256 31.823 -0.315 0.000 0.693 384 V HN 0.206 nan 8.190 nan 0.000 0.479 385 A N -0.675 122.200 122.820 0.092 0.000 2.066 385 A HA 0.034 4.354 4.320 0.000 0.000 0.218 385 A C 2.226 179.858 177.584 0.080 0.000 1.157 385 A CA 1.780 53.907 52.037 0.150 0.000 0.670 385 A CB -0.395 18.763 19.000 0.263 0.000 0.804 385 A HN 0.622 nan 8.150 nan 0.000 0.453 386 K N -0.344 120.098 120.400 0.071 0.000 2.399 386 K HA 0.329 4.649 4.320 0.000 0.000 0.196 386 K C 0.539 177.228 176.600 0.148 0.000 1.103 386 K CA 0.567 56.918 56.287 0.106 0.000 0.986 386 K CB 0.144 32.702 32.500 0.096 0.000 0.952 386 K HN 0.593 nan 8.250 nan 0.000 0.541 387 E N 0.343 120.598 120.200 0.092 0.000 2.227 387 E HA 0.288 4.638 4.350 0.000 0.000 0.268 387 E C -1.223 175.389 176.600 0.020 0.000 0.907 387 E CA -0.669 55.807 56.400 0.126 0.000 0.786 387 E CB 1.947 31.806 29.700 0.265 0.000 1.191 387 E HN 0.425 nan 8.360 nan 0.000 0.411 388 E N 0.376 120.539 120.200 -0.062 0.000 2.373 388 E HA 0.041 4.392 4.350 0.000 0.000 0.267 388 E C 0.241 176.797 176.600 -0.074 0.000 1.032 388 E CA 0.190 56.419 56.400 -0.286 0.000 0.889 388 E CB 0.959 30.194 29.700 -0.775 0.000 0.984 388 E HN 0.433 nan 8.360 nan 0.000 0.425 389 T N 2.739 117.234 114.554 -0.098 0.000 2.976 389 T HA 0.003 4.353 4.350 0.000 0.000 0.257 389 T C 0.261 175.024 174.700 0.104 0.000 1.051 389 T CA -0.102 62.084 62.100 0.142 0.000 1.141 389 T CB -0.148 68.811 68.868 0.152 0.000 0.881 389 T HN 0.614 nan 8.240 nan 0.000 0.461 390 F N 1.308 121.304 119.950 0.077 0.000 3.004 390 F HA -0.119 4.408 4.527 0.000 0.000 0.264 390 F C 0.836 176.678 175.800 0.069 0.000 0.979 390 F CA 0.135 58.183 58.000 0.081 0.000 0.896 390 F CB -1.621 37.455 39.000 0.126 0.000 0.813 390 F HN 0.425 nan 8.300 nan 0.000 0.804 391 G N -0.684 108.203 108.800 0.146 0.000 2.559 391 G HA2 0.553 4.513 3.960 0.000 0.000 0.291 391 G HA3 0.553 4.513 3.960 0.000 0.000 0.291 391 G C -3.117 171.804 174.900 0.035 0.000 1.424 391 G CA -0.976 44.173 45.100 0.082 0.000 0.786 391 G HN -0.232 nan 8.290 nan 0.000 0.485 392 P HA 0.233 nan 4.420 nan 0.000 0.231 392 P C -0.689 176.705 177.300 0.157 0.000 1.756 392 P CA -0.040 63.151 63.100 0.153 0.000 0.990 392 P CB 0.126 32.055 31.700 0.381 0.000 1.973 393 L N 1.371 122.603 121.223 0.016 0.000 2.343 393 L HA 0.677 5.017 4.340 0.000 0.000 0.278 393 L C -0.672 176.226 176.870 0.047 0.000 0.996 393 L CA -1.156 53.725 54.840 0.069 0.000 0.831 393 L CB 1.600 43.700 42.059 0.067 0.000 1.232 393 L HN 0.066 nan 8.230 nan 0.000 0.413 394 A N 7.377 130.265 122.820 0.113 0.000 2.322 394 A HA 0.819 5.139 4.320 0.000 0.000 0.327 394 A C -2.607 175.064 177.584 0.145 0.000 1.394 394 A CA -1.230 50.915 52.037 0.179 0.000 0.921 394 A CB -0.062 18.966 19.000 0.047 0.000 1.153 394 A HN 0.528 nan 8.150 nan 0.000 0.523 395 P HA 0.428 nan 4.420 nan 0.000 0.300 395 P C -0.808 176.590 177.300 0.163 0.000 1.356 395 P CA -0.192 62.966 63.100 0.097 0.000 0.823 395 P CB 1.099 32.835 31.700 0.060 0.000 0.934 396 L N 4.622 125.868 121.223 0.039 0.000 2.257 396 L HA 0.447 4.787 4.340 0.000 0.000 0.290 396 L C 0.197 177.144 176.870 0.129 0.000 1.044 396 L CA -0.515 54.421 54.840 0.159 0.000 0.810 396 L CB -0.020 42.065 42.059 0.044 0.000 1.193 396 L HN 0.244 nan 8.230 nan 0.000 0.425 397 F N 2.101 122.110 119.950 0.098 0.000 2.408 397 F HA 0.545 5.072 4.527 0.000 0.000 0.325 397 F C 0.667 176.635 175.800 0.280 0.000 1.082 397 F CA -0.620 57.420 58.000 0.067 0.000 1.032 397 F CB 1.188 40.004 39.000 -0.306 0.000 1.259 397 F HN 0.393 nan 8.300 nan 0.000 0.503 398 R N 1.502 122.212 120.500 0.350 0.000 2.589 398 R HA 0.598 4.939 4.340 0.000 0.000 0.293 398 R C -1.600 174.884 176.300 0.307 0.000 0.963 398 R CA -0.656 55.535 56.100 0.151 0.000 0.905 398 R CB 1.452 31.634 30.300 -0.198 0.000 1.144 398 R HN 0.623 nan 8.270 nan 0.000 0.459 399 F N 0.278 120.262 119.950 0.056 0.000 2.613 399 F HA 0.709 5.236 4.527 0.000 0.000 0.310 399 F C -0.513 175.139 175.800 -0.246 0.000 1.085 399 F CA -0.754 57.225 58.000 -0.036 0.000 0.945 399 F CB 1.666 40.662 39.000 -0.007 0.000 1.298 399 F HN 0.487 nan 8.300 nan 0.000 0.455 400 A N 1.070 123.870 122.820 -0.034 0.000 1.984 400 A HA 0.512 4.832 4.320 0.000 0.000 0.203 400 A C 0.635 178.234 177.584 0.025 0.000 1.292 400 A CA 0.871 52.788 52.037 -0.200 0.000 0.782 400 A CB -0.701 18.262 19.000 -0.063 0.000 0.924 400 A HN 1.044 nan 8.150 nan 0.000 0.475 401 S N -1.554 114.283 115.700 0.228 0.000 2.709 401 S HA 0.487 4.957 4.470 0.000 0.000 0.302 401 S C 0.462 175.270 174.600 0.347 0.000 1.127 401 S CA 0.160 58.537 58.200 0.295 0.000 0.905 401 S CB 1.668 64.971 63.200 0.171 0.000 1.151 401 S HN 0.294 nan 8.310 nan 0.000 0.510 402 E N 0.348 120.735 120.200 0.311 0.000 2.072 402 E HA -0.141 4.209 4.350 0.000 0.000 0.190 402 E C 1.714 178.369 176.600 0.091 0.000 0.982 402 E CA 0.954 57.512 56.400 0.263 0.000 0.803 402 E CB -0.170 29.665 29.700 0.226 0.000 0.755 402 E HN 0.809 nan 8.360 nan 0.000 0.453 403 E N 0.382 120.625 120.200 0.071 0.000 2.153 403 E HA -0.241 4.109 4.350 0.000 0.000 0.194 403 E C 1.970 178.560 176.600 -0.017 0.000 0.988 403 E CA 0.986 57.398 56.400 0.020 0.000 0.811 403 E CB 0.062 29.779 29.700 0.028 0.000 0.746 403 E HN 0.290 nan 8.360 nan 0.000 0.466 404 E N 0.331 120.530 120.200 -0.002 0.000 2.046 404 E HA -0.180 4.170 4.350 0.000 0.000 0.190 404 E C 2.342 178.849 176.600 -0.156 0.000 0.982 404 E CA 0.612 56.993 56.400 -0.032 0.000 0.800 404 E CB -0.061 29.664 29.700 0.041 0.000 0.756 404 E HN 0.216 nan 8.360 nan 0.000 0.449 405 L N 0.931 121.995 121.223 -0.265 0.000 1.971 405 L HA -0.221 4.119 4.340 0.000 0.000 0.215 405 L C 2.393 178.973 176.870 -0.482 0.000 1.072 405 L CA 1.666 56.129 54.840 -0.628 0.000 0.758 405 L CB -0.606 40.861 42.059 -0.987 0.000 0.889 405 L HN 0.008 nan 8.230 nan 0.000 0.433 406 V N 0.197 119.950 119.914 -0.268 0.000 2.250 406 V HA -0.389 3.731 4.120 0.000 0.000 0.250 406 V C 2.779 178.762 176.094 -0.186 0.000 1.060 406 V CA 2.449 64.639 62.300 -0.184 0.000 1.030 406 V CB -0.926 30.844 31.823 -0.088 0.000 0.643 406 V HN 0.580 nan 8.190 nan 0.000 0.445 407 R N -0.581 119.825 120.500 -0.157 0.000 2.094 407 R HA -0.210 4.130 4.340 0.000 0.000 0.239 407 R C 2.294 178.493 176.300 -0.167 0.000 1.137 407 R CA 1.930 57.954 56.100 -0.127 0.000 0.943 407 R CB -0.382 29.867 30.300 -0.084 0.000 0.850 407 R HN 0.342 nan 8.270 nan 0.000 0.433 408 L N 0.687 121.756 121.223 -0.256 0.000 1.990 408 L HA -0.162 4.178 4.340 0.000 0.000 0.213 408 L C 2.607 179.244 176.870 -0.388 0.000 1.072 408 L CA 2.229 56.869 54.840 -0.333 0.000 0.755 408 L CB -1.293 40.428 42.059 -0.563 0.000 0.889 408 L HN 0.346 nan 8.230 nan 0.000 0.432 409 A N -0.752 121.751 122.820 -0.528 0.000 1.933 409 A HA -0.188 4.132 4.320 0.000 0.000 0.218 409 A C 2.009 179.582 177.584 -0.018 0.000 1.175 409 A CA 1.807 53.649 52.037 -0.325 0.000 0.628 409 A CB -0.520 18.277 19.000 -0.339 0.000 0.814 409 A HN 0.529 nan 8.150 nan 0.000 0.444 410 N N 0.038 118.697 118.700 -0.069 0.000 2.422 410 N HA -0.037 4.703 4.740 0.000 0.000 0.181 410 N C 0.053 175.512 175.510 -0.085 0.000 1.080 410 N CA 0.516 53.524 53.050 -0.071 0.000 0.893 410 N CB -0.202 38.229 38.487 -0.093 0.000 0.973 410 N HN 0.355 nan 8.380 nan 0.000 0.456 411 D N 1.027 121.385 120.400 -0.070 0.000 2.848 411 D HA 0.006 4.646 4.640 0.000 0.000 0.232 411 D C -0.446 175.833 176.300 -0.036 0.000 1.107 411 D CA 0.357 54.324 54.000 -0.054 0.000 1.020 411 D CB -0.371 40.406 40.800 -0.038 0.000 1.148 411 D HN 0.008 nan 8.370 nan 0.000 0.453 412 T N -2.294 112.221 114.554 -0.064 0.000 2.853 412 T HA 0.502 4.852 4.350 0.000 0.000 0.311 412 T C 0.806 175.392 174.700 -0.190 0.000 1.307 412 T CA 0.126 62.182 62.100 -0.074 0.000 1.019 412 T CB 1.246 70.144 68.868 0.050 0.000 1.264 412 T HN -0.048 nan 8.240 nan 0.000 0.497 413 E N 1.560 121.545 120.200 -0.358 0.000 2.299 413 E HA 0.293 4.643 4.350 0.000 0.000 0.193 413 E C 0.168 176.453 176.600 -0.524 0.000 0.998 413 E CA 0.696 56.795 56.400 -0.502 0.000 0.851 413 E CB -0.279 29.009 29.700 -0.686 0.000 0.795 413 E HN 0.531 nan 8.360 nan 0.000 0.492 414 F N -0.815 119.082 119.950 -0.087 0.000 2.380 414 F HA 0.644 5.171 4.527 0.000 0.000 0.319 414 F C 1.252 176.913 175.800 -0.232 0.000 1.113 414 F CA -0.671 57.270 58.000 -0.098 0.000 1.056 414 F CB 2.144 41.128 39.000 -0.026 0.000 1.289 414 F HN -0.003 nan 8.300 nan 0.000 0.515 415 G N 1.103 109.888 108.800 -0.025 0.000 4.132 415 G HA2 0.344 4.304 3.960 0.000 0.000 0.269 415 G HA3 0.344 4.304 3.960 0.000 0.000 0.269 415 G C -0.616 174.265 174.900 -0.032 0.000 2.594 415 G CA -0.194 44.686 45.100 -0.366 0.000 0.600 415 G HN 0.555 nan 8.290 nan 0.000 0.341 416 L N 1.078 122.396 121.223 0.159 0.000 2.327 416 L HA 0.866 5.206 4.340 0.000 0.000 0.192 416 L C 1.213 178.077 176.870 -0.009 0.000 1.158 416 L CA 1.609 56.460 54.840 0.018 0.000 0.813 416 L CB -0.003 42.038 42.059 -0.029 0.000 1.021 416 L HN 0.489 nan 8.230 nan 0.000 0.481 417 A N -0.873 121.925 122.820 -0.037 0.000 2.401 417 A HA 0.870 5.190 4.320 0.000 0.000 0.310 417 A C -1.114 176.097 177.584 -0.621 0.000 1.075 417 A CA -0.002 51.850 52.037 -0.309 0.000 0.746 417 A CB 1.249 20.047 19.000 -0.336 0.000 1.277 417 A HN 0.458 nan 8.150 nan 0.000 0.425 418 A N 0.661 122.960 122.820 -0.868 0.000 2.454 418 A HA 0.835 5.155 4.320 0.000 0.000 0.302 418 A C -1.661 175.348 177.584 -0.958 0.000 1.079 418 A CA -0.437 51.018 52.037 -0.969 0.000 0.731 418 A CB 0.965 19.334 19.000 -1.052 0.000 1.299 418 A HN 0.850 nan 8.150 nan 0.000 0.413 419 Y N -0.031 120.079 120.300 -0.316 0.000 2.462 419 Y HA 0.697 5.247 4.550 0.000 0.000 0.346 419 Y C -0.513 175.160 175.900 -0.379 0.000 0.976 419 Y CA -0.924 56.970 58.100 -0.343 0.000 1.044 419 Y CB 2.270 40.482 38.460 -0.414 0.000 1.230 419 Y HN 0.599 nan 8.280 nan 0.000 0.455 420 L N 3.412 124.535 121.223 -0.166 0.000 2.476 420 L HA 0.536 4.876 4.340 0.000 0.000 0.269 420 L C -2.255 174.566 176.870 -0.083 0.000 0.965 420 L CA -0.932 53.856 54.840 -0.086 0.000 0.845 420 L CB 1.039 43.053 42.059 -0.075 0.000 1.259 420 L HN 0.597 nan 8.230 nan 0.000 0.403 421 Y N 3.711 123.988 120.300 -0.039 0.000 2.345 421 Y HA 0.737 5.287 4.550 0.000 0.000 0.331 421 Y C 0.211 176.216 175.900 0.175 0.000 0.959 421 Y CA -0.096 58.031 58.100 0.045 0.000 1.204 421 Y CB 2.020 40.512 38.460 0.054 0.000 1.135 421 Y HN 0.690 nan 8.280 nan 0.000 0.477 422 S N 2.267 118.071 115.700 0.172 0.000 2.552 422 S HA 0.487 4.957 4.470 0.000 0.000 0.272 422 S C -0.247 174.374 174.600 0.036 0.000 1.150 422 S CA -0.721 57.556 58.200 0.128 0.000 0.849 422 S CB 1.580 64.791 63.200 0.018 0.000 1.113 422 S HN 0.664 nan 8.310 nan 0.000 0.458 423 R N 1.264 121.781 120.500 0.028 0.000 2.307 423 R HA 0.348 4.688 4.340 0.000 0.000 0.200 423 R C -0.198 176.098 176.300 -0.006 0.000 0.893 423 R CA 0.180 56.291 56.100 0.017 0.000 1.042 423 R CB 0.201 30.525 30.300 0.039 0.000 1.059 423 R HN 0.680 nan 8.270 nan 0.000 0.530 424 D N 0.746 121.126 120.400 -0.033 0.000 2.313 424 D HA -0.030 4.610 4.640 0.000 0.000 0.239 424 D C 1.249 177.535 176.300 -0.023 0.000 1.142 424 D CA -0.096 53.883 54.000 -0.035 0.000 0.847 424 D CB 0.824 41.586 40.800 -0.063 0.000 1.082 424 D HN -0.002 nan 8.370 nan 0.000 0.480 425 I N 4.183 124.764 120.570 0.017 0.000 2.248 425 I HA -0.216 3.954 4.170 0.000 0.000 0.248 425 I C 1.772 177.967 176.117 0.130 0.000 1.107 425 I CA 1.573 62.920 61.300 0.079 0.000 1.373 425 I CB -0.522 37.533 38.000 0.092 0.000 1.055 425 I HN 0.557 nan 8.210 nan 0.000 0.418 426 G N 0.727 109.563 108.800 0.060 0.000 2.414 426 G HA2 -0.310 3.650 3.960 0.000 0.000 0.215 426 G HA3 -0.310 3.650 3.960 0.000 0.000 0.215 426 G C 1.755 176.682 174.900 0.044 0.000 1.188 426 G CA 0.851 45.983 45.100 0.053 0.000 0.783 426 G HN 0.427 nan 8.290 nan 0.000 0.537 427 R N 0.061 120.536 120.500 -0.041 0.000 2.105 427 R HA -0.019 4.321 4.340 0.000 0.000 0.239 427 R C 2.404 178.635 176.300 -0.115 0.000 1.135 427 R CA 1.631 57.651 56.100 -0.133 0.000 0.967 427 R CB -0.690 29.434 30.300 -0.292 0.000 0.861 427 R HN 0.186 nan 8.270 nan 0.000 0.442 428 V N -0.170 119.700 119.914 -0.073 0.000 2.332 428 V HA -0.241 3.879 4.120 0.000 0.000 0.248 428 V C 1.877 177.934 176.094 -0.062 0.000 1.055 428 V CA 2.055 64.306 62.300 -0.082 0.000 1.038 428 V CB -0.595 31.173 31.823 -0.093 0.000 0.651 428 V HN 0.464 nan 8.190 nan 0.000 0.450 429 W N 0.071 121.328 121.300 -0.071 0.000 2.381 429 W HA -0.064 4.596 4.660 0.000 0.000 0.301 429 W C 2.806 179.294 176.519 -0.052 0.000 1.205 429 W CA 1.355 58.666 57.345 -0.055 0.000 1.285 429 W CB -0.200 29.232 29.460 -0.047 0.000 1.133 429 W HN 0.025 nan 8.180 nan 0.000 0.521 430 R N -0.348 120.270 120.500 0.197 0.000 2.097 430 R HA -0.202 4.138 4.340 0.000 0.000 0.236 430 R C 1.818 178.152 176.300 0.056 0.000 1.135 430 R CA 2.210 58.371 56.100 0.102 0.000 0.934 430 R CB -1.218 29.107 30.300 0.041 0.000 0.846 430 R HN 0.115 nan 8.270 nan 0.000 0.431 431 V N 0.707 120.632 119.914 0.019 0.000 2.427 431 V HA -0.186 3.934 4.120 0.000 0.000 0.248 431 V C 2.425 178.509 176.094 -0.018 0.000 1.051 431 V CA 1.788 64.096 62.300 0.013 0.000 1.048 431 V CB -0.713 31.145 31.823 0.058 0.000 0.666 431 V HN 0.415 nan 8.190 nan 0.000 0.456 432 A N -0.453 122.332 122.820 -0.057 0.000 1.902 432 A HA -0.246 4.074 4.320 0.000 0.000 0.217 432 A C 2.232 179.775 177.584 -0.069 0.000 1.181 432 A CA 1.902 53.871 52.037 -0.114 0.000 0.623 432 A CB -0.453 18.403 19.000 -0.239 0.000 0.818 432 A HN 0.585 nan 8.150 nan 0.000 0.443 433 E N -0.630 119.567 120.200 -0.005 0.000 2.106 433 E HA -0.066 4.284 4.350 0.000 0.000 0.192 433 E C 2.159 178.771 176.600 0.021 0.000 0.984 433 E CA 0.816 57.242 56.400 0.044 0.000 0.806 433 E CB -0.168 29.618 29.700 0.144 0.000 0.750 433 E HN 0.613 nan 8.360 nan 0.000 0.458 434 A N 0.597 123.426 122.820 0.015 0.000 2.067 434 A HA 0.027 4.347 4.320 0.000 0.000 0.217 434 A C 1.078 178.659 177.584 -0.005 0.000 1.156 434 A CA 0.114 52.152 52.037 0.000 0.000 0.683 434 A CB -0.141 18.858 19.000 -0.002 0.000 0.808 434 A HN 0.099 nan 8.150 nan 0.000 0.455 435 L N 1.257 122.486 121.223 0.011 0.000 2.462 435 L HA 0.053 4.393 4.340 0.000 0.000 0.272 435 L C 0.162 177.088 176.870 0.092 0.000 1.166 435 L CA -0.014 54.876 54.840 0.083 0.000 0.880 435 L CB 0.589 42.689 42.059 0.067 0.000 1.142 435 L HN 0.334 nan 8.230 nan 0.000 0.473 436 E N 4.592 124.805 120.200 0.021 0.000 2.122 436 E HA 0.203 4.553 4.350 0.000 0.000 0.288 436 E C -1.472 174.808 176.600 -0.532 0.000 1.260 436 E CA -0.081 56.184 56.400 -0.226 0.000 1.344 436 E CB 0.186 29.718 29.700 -0.280 0.000 1.337 436 E HN 0.357 nan 8.360 nan 0.000 0.484 437 Y N -1.654 118.574 120.300 -0.120 0.000 2.534 437 Y HA 0.293 4.843 4.550 0.000 0.000 0.345 437 Y C 1.322 177.127 175.900 -0.157 0.000 1.031 437 Y CA -1.023 56.993 58.100 -0.141 0.000 1.022 437 Y CB 1.663 40.019 38.460 -0.174 0.000 1.292 437 Y HN 0.213 nan 8.280 nan 0.000 0.459 438 G N 1.357 110.133 108.800 -0.040 0.000 2.422 438 G HA2 -0.029 3.931 3.960 0.000 0.000 0.218 438 G HA3 -0.029 3.931 3.960 0.000 0.000 0.218 438 G C 0.166 174.985 174.900 -0.134 0.000 1.140 438 G CA 0.624 45.656 45.100 -0.114 0.000 0.775 438 G HN 0.438 nan 8.290 nan 0.000 0.545 439 M N 0.343 119.856 119.600 -0.145 0.000 2.263 439 M HA 0.454 4.934 4.480 0.000 0.000 0.295 439 M C -1.736 174.416 176.300 -0.246 0.000 1.028 439 M CA -0.474 54.709 55.300 -0.194 0.000 0.921 439 M CB 3.478 35.931 32.600 -0.245 0.000 1.601 439 M HN -0.239 nan 8.290 nan 0.000 0.440 440 V N 1.890 121.665 119.914 -0.232 0.000 2.443 440 V HA 0.623 4.743 4.120 0.000 0.000 0.293 440 V C 0.320 176.273 176.094 -0.236 0.000 1.021 440 V CA -0.842 61.285 62.300 -0.287 0.000 0.848 440 V CB 1.606 33.287 31.823 -0.236 0.000 0.998 440 V HN 1.004 nan 8.190 nan 0.000 0.424 441 G N 4.540 113.199 108.800 -0.235 0.000 2.370 441 G HA2 0.642 4.602 3.960 0.000 0.000 0.272 441 G HA3 0.642 4.602 3.960 0.000 0.000 0.272 441 G C -0.624 174.190 174.900 -0.144 0.000 1.208 441 G CA -0.333 44.716 45.100 -0.086 0.000 0.856 441 G HN 0.650 nan 8.290 nan 0.000 0.500 442 I N 2.266 122.723 120.570 -0.188 0.000 2.355 442 I HA 0.184 4.354 4.170 0.000 0.000 0.288 442 I C 0.005 175.891 176.117 -0.384 0.000 0.999 442 I CA -0.725 60.413 61.300 -0.270 0.000 1.163 442 I CB 1.438 39.297 38.000 -0.235 0.000 1.316 442 I HN 0.490 nan 8.210 nan 0.000 0.454 443 N N 2.433 120.679 118.700 -0.756 0.000 2.725 443 N HA -0.186 4.554 4.740 0.000 0.000 0.249 443 N C -0.221 174.826 175.510 -0.771 0.000 1.103 443 N CA 1.295 53.617 53.050 -1.214 0.000 0.707 443 N CB -0.828 37.359 38.487 -0.501 0.000 1.043 443 N HN 0.764 nan 8.380 nan 0.000 0.553 444 T N -2.896 111.369 114.554 -0.482 0.000 2.932 444 T HA 0.581 4.931 4.350 0.000 0.000 0.318 444 T C 0.776 175.627 174.700 0.251 0.000 1.265 444 T CA 0.122 62.255 62.100 0.054 0.000 1.036 444 T CB 1.479 70.364 68.868 0.027 0.000 1.209 444 T HN 0.068 nan 8.240 nan 0.000 0.484 445 G N 2.169 111.147 108.800 0.298 0.000 3.159 445 G HA2 0.394 4.354 3.960 0.000 0.000 0.232 445 G HA3 0.394 4.354 3.960 0.000 0.000 0.232 445 G C -0.051 174.884 174.900 0.057 0.000 1.116 445 G CA -0.072 45.084 45.100 0.094 0.000 0.767 445 G HN 0.583 nan 8.290 nan 0.000 0.547 446 L N 1.428 122.742 121.223 0.153 0.000 2.343 446 L HA 0.489 4.829 4.340 0.000 0.000 0.278 446 L C 0.504 177.457 176.870 0.137 0.000 0.996 446 L CA -0.672 54.249 54.840 0.136 0.000 0.831 446 L CB 1.884 43.992 42.059 0.081 0.000 1.232 446 L HN 0.249 nan 8.230 nan 0.000 0.413 447 I N -2.238 118.429 120.570 0.162 0.000 4.338 447 I HA 0.290 4.460 4.170 0.000 0.000 0.329 447 I C 0.366 176.552 176.117 0.114 0.000 1.378 447 I CA -0.042 61.330 61.300 0.120 0.000 1.170 447 I CB 1.143 39.212 38.000 0.114 0.000 1.206 447 I HN 0.294 nan 8.210 nan 0.000 0.432 448 S N 3.087 118.854 115.700 0.110 0.000 2.499 448 S HA 0.485 4.955 4.470 0.000 0.000 0.275 448 S C -0.343 174.325 174.600 0.114 0.000 1.257 448 S CA -0.293 57.990 58.200 0.138 0.000 1.050 448 S CB 0.357 63.551 63.200 -0.011 0.000 0.937 448 S HN 0.796 nan 8.310 nan 0.000 0.490 449 N N 0.797 119.606 118.700 0.181 0.000 3.308 449 N HA 0.232 4.972 4.740 0.000 0.000 0.276 449 N C 0.131 175.512 175.510 -0.215 0.000 1.533 449 N CA -0.875 52.199 53.050 0.041 0.000 0.878 449 N CB 0.422 38.860 38.487 -0.082 0.000 1.566 449 N HN 0.319 nan 8.380 nan 0.000 0.546 450 E N -0.195 119.616 120.200 -0.649 0.000 2.318 450 E HA -0.040 4.310 4.350 0.000 0.000 0.193 450 E C 1.233 177.173 176.600 -1.102 0.000 0.998 450 E CA 1.333 57.102 56.400 -1.050 0.000 0.859 450 E CB -0.188 28.710 29.700 -1.336 0.000 0.812 450 E HN 0.536 nan 8.360 nan 0.000 0.492 451 V N -1.282 118.069 119.914 -0.939 0.000 3.354 451 V HA 0.472 4.592 4.120 0.000 0.000 0.258 451 V C 1.046 176.910 176.094 -0.383 0.000 1.159 451 V CA 0.253 61.949 62.300 -1.005 0.000 1.125 451 V CB -0.120 31.248 31.823 -0.759 0.000 0.774 451 V HN 0.260 nan 8.190 nan 0.000 0.464 452 A N 2.631 125.324 122.820 -0.211 0.000 2.290 452 A HA 0.769 5.089 4.320 0.000 0.000 0.310 452 A C -2.551 175.076 177.584 0.072 0.000 1.202 452 A CA -1.933 50.084 52.037 -0.033 0.000 0.837 452 A CB 0.231 19.227 19.000 -0.006 0.000 1.139 452 A HN 0.383 nan 8.150 nan 0.000 0.509 453 P HA 0.078 nan 4.420 nan 0.000 0.266 453 P C -0.996 176.389 177.300 0.141 0.000 1.215 453 P CA 0.514 63.706 63.100 0.154 0.000 0.763 453 P CB 0.099 31.856 31.700 0.096 0.000 0.806 454 F N 4.033 124.018 119.950 0.059 0.000 2.415 454 F HA 0.658 5.185 4.527 0.000 0.000 0.348 454 F C 0.436 176.244 175.800 0.013 0.000 1.119 454 F CA 0.614 58.637 58.000 0.037 0.000 1.069 454 F CB 1.415 40.455 39.000 0.066 0.000 1.124 454 F HN 0.605 nan 8.300 nan 0.000 0.472 455 G N 2.751 111.261 108.800 -0.483 0.000 2.321 455 G HA2 0.445 4.405 3.960 0.000 0.000 0.298 455 G HA3 0.445 4.405 3.960 0.000 0.000 0.298 455 G C -1.475 173.245 174.900 -0.300 0.000 1.385 455 G CA -0.268 44.658 45.100 -0.290 0.000 0.856 455 G HN 0.999 nan 8.290 nan 0.000 0.584 456 G N -1.755 106.941 108.800 -0.173 0.000 2.735 456 G HA2 0.970 4.930 3.960 0.000 0.000 0.301 456 G HA3 0.970 4.930 3.960 0.000 0.000 0.301 456 G C 0.012 174.854 174.900 -0.097 0.000 1.279 456 G CA 0.209 45.231 45.100 -0.130 0.000 1.019 456 G HN 1.897 nan 8.290 nan 0.000 0.497 457 V N -3.081 116.772 119.914 -0.101 0.000 3.229 457 V HA 0.822 4.943 4.120 0.000 0.000 0.310 457 V C 0.829 176.867 176.094 -0.094 0.000 1.206 457 V CA -0.281 61.957 62.300 -0.102 0.000 1.051 457 V CB 0.903 32.649 31.823 -0.128 0.000 1.183 457 V HN 1.060 nan 8.190 nan 0.000 0.466 458 K N -1.215 119.125 120.400 -0.100 0.000 1.779 458 K HA -0.251 4.069 4.320 0.000 0.000 0.128 458 K C 1.182 177.749 176.600 -0.055 0.000 1.288 458 K CA 1.990 58.216 56.287 -0.101 0.000 0.398 458 K CB -1.294 31.112 32.500 -0.156 0.000 0.609 458 K HN 0.811 nan 8.250 nan 0.000 0.874 459 Q N 0.528 120.297 119.800 -0.052 0.000 2.403 459 Q HA 0.122 4.462 4.340 0.000 0.000 0.203 459 Q C 1.370 177.486 176.000 0.194 0.000 0.932 459 Q CA 0.778 56.595 55.803 0.024 0.000 0.945 459 Q CB 0.624 29.294 28.738 -0.113 0.000 1.045 459 Q HN 0.369 nan 8.270 nan 0.000 0.511 460 S N -0.155 115.641 115.700 0.160 0.000 2.561 460 S HA 0.224 4.694 4.470 0.000 0.000 0.225 460 S C 0.948 175.597 174.600 0.080 0.000 0.977 460 S CA 0.568 58.858 58.200 0.150 0.000 0.926 460 S CB 0.314 63.561 63.200 0.079 0.000 0.769 460 S HN 0.621 nan 8.310 nan 0.000 0.533 461 G N 0.346 109.181 108.800 0.059 0.000 2.250 461 G HA2 0.088 4.048 3.960 0.000 0.000 0.252 461 G HA3 0.088 4.048 3.960 0.000 0.000 0.252 461 G C -1.990 172.920 174.900 0.016 0.000 1.325 461 G CA -1.026 44.105 45.100 0.051 0.000 1.091 461 G HN 0.228 nan 8.290 nan 0.000 0.476 462 L N 0.382 121.616 121.223 0.018 0.000 2.445 462 L HA 0.717 5.057 4.340 0.000 0.000 0.262 462 L C 0.650 177.521 176.870 0.002 0.000 0.974 462 L CA -0.086 54.754 54.840 0.001 0.000 0.822 462 L CB 1.869 43.930 42.059 0.003 0.000 1.339 462 L HN 2.547 nan 8.230 nan 0.000 0.409 463 G N 1.744 110.538 108.800 -0.011 0.000 2.730 463 G HA2 -0.093 3.867 3.960 0.000 0.000 0.686 463 G HA3 -0.093 3.867 3.960 0.000 0.000 0.686 463 G C -1.347 173.565 174.900 0.020 0.000 1.343 463 G CA -0.940 44.161 45.100 0.002 0.000 0.826 463 G HN 0.473 nan 8.290 nan 0.000 0.582 464 R N 0.679 121.210 120.500 0.053 0.000 2.599 464 R HA 0.553 4.893 4.340 0.000 0.000 0.295 464 R C -0.138 176.281 176.300 0.198 0.000 0.963 464 R CA -0.671 55.488 56.100 0.099 0.000 0.883 464 R CB 1.888 32.215 30.300 0.045 0.000 1.171 464 R HN 0.736 nan 8.270 nan 0.000 0.450 465 E N 0.160 120.508 120.200 0.246 0.000 2.207 465 E HA 0.631 4.981 4.350 0.000 0.000 0.270 465 E C -0.242 176.580 176.600 0.370 0.000 0.927 465 E CA -0.542 56.032 56.400 0.290 0.000 0.799 465 E CB 2.049 31.847 29.700 0.164 0.000 1.172 465 E HN 0.773 nan 8.360 nan 0.000 0.404 466 G N 1.668 110.798 108.800 0.549 0.000 2.707 466 G HA2 0.027 3.987 3.960 0.000 0.000 0.686 466 G HA3 0.027 3.987 3.960 0.000 0.000 0.686 466 G C 0.003 175.090 174.900 0.312 0.000 1.315 466 G CA -0.261 45.109 45.100 0.449 0.000 0.832 466 G HN 1.482 nan 8.290 nan 0.000 0.573 467 S N -1.651 114.077 115.700 0.048 0.000 3.307 467 S HA -0.243 4.227 4.470 0.000 0.000 0.634 467 S C 1.097 175.973 174.600 0.459 0.000 2.711 467 S CA 2.143 60.455 58.200 0.187 0.000 2.940 467 S CB -1.088 62.156 63.200 0.074 0.000 0.331 467 S HN 2.852 nan 8.310 nan 0.000 1.766 468 H N -0.157 119.066 119.070 0.256 0.000 2.547 468 H HA 0.313 4.869 4.556 0.000 0.000 0.272 468 H C 1.439 176.794 175.328 0.046 0.000 0.989 468 H CA 1.297 57.398 56.048 0.089 0.000 1.214 468 H CB -0.619 29.091 29.762 -0.086 0.000 1.389 468 H HN 0.574 nan 8.280 nan 0.000 0.577 469 Y N 0.938 121.198 120.300 -0.066 0.000 2.457 469 Y HA 0.156 4.706 4.550 0.000 0.000 0.292 469 Y C 2.698 178.729 175.900 0.218 0.000 1.125 469 Y CA 0.689 58.824 58.100 0.058 0.000 1.254 469 Y CB -0.348 38.087 38.460 -0.041 0.000 1.012 469 Y HN 0.465 nan 8.280 nan 0.000 0.555 470 G N 0.168 109.254 108.800 0.478 0.000 2.440 470 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 470 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 470 G C 1.672 176.878 174.900 0.509 0.000 1.154 470 G CA 1.045 46.487 45.100 0.570 0.000 0.767 470 G HN 0.478 nan 8.290 nan 0.000 0.552 471 I N 0.114 120.990 120.570 0.509 0.000 2.876 471 I HA 0.016 4.186 4.170 0.000 0.000 0.264 471 I C 1.610 177.945 176.117 0.363 0.000 1.204 471 I CA 0.525 62.056 61.300 0.384 0.000 1.485 471 I CB 0.111 38.312 38.000 0.336 0.000 1.103 471 I HN 0.001 nan 8.210 nan 0.000 0.446 472 D N 0.851 121.441 120.400 0.317 0.000 2.219 472 D HA -0.162 4.478 4.640 0.000 0.000 0.205 472 D C 1.333 177.742 176.300 0.181 0.000 0.970 472 D CA 0.964 55.108 54.000 0.238 0.000 0.851 472 D CB -0.099 40.845 40.800 0.240 0.000 0.943 472 D HN 0.354 nan 8.370 nan 0.000 0.488 473 D N -0.672 119.824 120.400 0.160 0.000 2.371 473 D HA -0.079 4.561 4.640 0.000 0.000 0.221 473 D C 1.056 177.241 176.300 -0.192 0.000 0.986 473 D CA 0.437 54.410 54.000 -0.045 0.000 0.899 473 D CB 0.082 40.793 40.800 -0.149 0.000 0.902 473 D HN 0.385 nan 8.370 nan 0.000 0.530 474 Y N -0.361 119.972 120.300 0.055 0.000 2.458 474 Y HA 0.085 4.635 4.550 0.000 0.000 0.254 474 Y C 0.969 176.908 175.900 0.064 0.000 1.120 474 Y CA -0.330 57.793 58.100 0.038 0.000 1.282 474 Y CB 0.646 39.119 38.460 0.021 0.000 1.109 474 Y HN -0.227 nan 8.280 nan 0.000 0.526 475 V N -2.198 117.836 119.914 0.199 0.000 2.975 475 V HA 0.737 4.857 4.120 0.000 0.000 0.318 475 V C -0.511 175.656 176.094 0.120 0.000 1.077 475 V CA -1.200 61.198 62.300 0.164 0.000 1.000 475 V CB 1.978 33.896 31.823 0.158 0.000 1.066 475 V HN -0.263 nan 8.190 nan 0.000 0.452 476 V N 3.114 123.101 119.914 0.121 0.000 2.864 476 V HA 0.667 4.787 4.120 0.000 0.000 0.314 476 V C -0.400 175.753 176.094 0.098 0.000 1.073 476 V CA -0.624 61.736 62.300 0.100 0.000 0.956 476 V CB 1.976 33.861 31.823 0.104 0.000 1.023 476 V HN 1.096 nan 8.190 nan 0.000 0.435 477 I N 2.511 123.134 120.570 0.088 0.000 2.412 477 I HA 0.641 4.811 4.170 0.000 0.000 0.296 477 I C -0.549 175.624 176.117 0.095 0.000 0.987 477 I CA -0.178 61.175 61.300 0.089 0.000 1.180 477 I CB 1.293 39.343 38.000 0.083 0.000 1.340 477 I HN 0.583 nan 8.210 nan 0.000 0.455 478 K N 5.432 125.889 120.400 0.096 0.000 2.358 478 K HA 0.296 4.616 4.320 0.000 0.000 0.260 478 K C -1.644 175.044 176.600 0.146 0.000 0.956 478 K CA -0.793 55.553 56.287 0.098 0.000 0.834 478 K CB 1.069 33.605 32.500 0.061 0.000 1.102 478 K HN 0.708 nan 8.250 nan 0.000 0.431 479 Y N 5.847 126.160 120.300 0.022 0.000 2.336 479 Y HA 0.329 4.879 4.550 0.000 0.000 0.335 479 Y C -1.398 174.510 175.900 0.013 0.000 1.046 479 Y CA -0.782 57.329 58.100 0.017 0.000 1.198 479 Y CB 0.533 39.003 38.460 0.017 0.000 1.182 479 Y HN 0.435 nan 8.280 nan 0.000 0.502 480 L N 7.749 128.930 121.223 -0.070 0.000 2.319 480 L HA 0.377 4.718 4.340 0.000 0.000 0.281 480 L C -0.819 175.879 176.870 -0.285 0.000 1.005 480 L CA -0.752 53.943 54.840 -0.242 0.000 0.828 480 L CB 1.396 43.414 42.059 -0.068 0.000 1.227 480 L HN 0.723 nan 8.230 nan 0.000 0.415 481 C N 4.970 123.988 119.300 -0.470 0.000 2.251 481 C HA 0.622 5.082 4.460 0.000 0.000 0.323 481 C C 0.145 175.072 174.990 -0.106 0.000 1.241 481 C CA -0.340 58.538 59.018 -0.233 0.000 1.601 481 C CB 0.444 28.000 27.740 -0.306 0.000 2.251 481 C HN 0.565 nan 8.230 nan 0.000 0.488 482 V N 6.923 126.820 119.914 -0.029 0.000 2.334 482 V HA 0.503 4.623 4.120 0.000 0.000 0.281 482 V C 0.781 176.872 176.094 -0.005 0.000 1.016 482 V CA -0.408 61.879 62.300 -0.021 0.000 0.832 482 V CB 1.029 32.846 31.823 -0.011 0.000 0.999 482 V HN 1.066 nan 8.190 nan 0.000 0.439 483 A N 5.069 127.883 122.820 -0.011 0.000 2.522 483 A HA 0.441 4.761 4.320 0.000 0.000 0.256 483 A C 0.348 177.932 177.584 -0.001 0.000 1.086 483 A CA 0.254 52.290 52.037 -0.003 0.000 0.763 483 A CB 0.419 19.415 19.000 -0.007 0.000 1.024 483 A HN 0.736 nan 8.150 nan 0.000 0.502 484 V N 0.000 119.916 119.914 0.004 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.302 62.300 0.004 0.000 1.235 484 V CB 0.000 31.827 31.823 0.007 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556