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 2ajt_1_C DATA FIRST_RESID 1 DATA SEQUENCE MTIFDNYEVW FVIGSQHLYG PETLRQVTQH AEHVVNALNT EAKLPCKLVL DATA SEQUENCE KPLGTTPDEI TAICRDANYD DPCAGLVVWL HTFSPAKMWI NGLTMLNKPL DATA SEQUENCE LQFHTQFNAA LPWDSIDMDF MNLNQTAHGG REFGFIGARM RQQHAVVTGH DATA SEQUENCE WQDKQAHERI GSWMRQAVSK QDTRHLKVCR FGDNMREVAV TDGDKVAAQI DATA SEQUENCE KFGFSVNTWA VGDLVQVVNS ISDGDVNALV DEYESCYTMT PATQIHGEKR DATA SEQUENCE QNVLEAARIE LGMKRFLEQG GFHAFTTTFE DLHGLKQLPG LAVQRLMQQG DATA SEQUENCE YGFAGEGDWK TAALLRIMKV MSTGLQGGTS FMEDYTYHFE KGNDLVLGSH DATA SEQUENCE MLEVCPSIAV EEKPILDVQH LGIGGKDDPA RLIFNTQTGP AIVASLIDLG DATA SEQUENCE DRYRLLVNCI DTVKTPHSLP KLPVANALWK AQPDLPTASE AWILAGGAHH DATA SEQUENCE TVFSHALNLN DMRQFAEMHD IEITVIDNDT RLPAFKDALR WNEVYYGF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.054 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 T N 3.226 117.823 114.554 0.072 0.000 2.860 2 T HA 0.332 4.682 4.350 0.000 0.000 0.299 2 T C 1.177 175.986 174.700 0.183 0.000 1.045 2 T CA -0.222 61.952 62.100 0.123 0.000 1.071 2 T CB 0.990 69.929 68.868 0.118 0.000 0.985 2 T HN 0.491 nan 8.240 nan 0.000 0.537 3 I N -1.948 118.772 120.570 0.249 0.000 3.564 3 I HA 0.179 4.349 4.170 0.000 0.000 0.294 3 I C 1.194 177.519 176.117 0.346 0.000 1.289 3 I CA 0.649 62.097 61.300 0.248 0.000 1.325 3 I CB -0.395 37.733 38.000 0.215 0.000 1.039 3 I HN 0.341 nan 8.210 nan 0.000 0.474 4 F N 2.089 122.134 119.950 0.159 0.000 2.234 4 F HA -0.083 4.444 4.527 0.000 0.000 0.299 4 F C 2.025 177.932 175.800 0.179 0.000 1.087 4 F CA 1.265 59.374 58.000 0.183 0.000 1.340 4 F CB -0.430 38.630 39.000 0.100 0.000 1.031 4 F HN 0.209 nan 8.300 nan 0.000 0.500 5 D N -0.254 120.321 120.400 0.293 0.000 2.363 5 D HA -0.069 4.571 4.640 0.000 0.000 0.226 5 D C 0.436 176.792 176.300 0.093 0.000 1.020 5 D CA 0.585 54.689 54.000 0.173 0.000 0.892 5 D CB -0.533 40.342 40.800 0.124 0.000 0.900 5 D HN 0.501 nan 8.370 nan 0.000 0.531 6 N N -0.571 118.154 118.700 0.041 0.000 2.276 6 N HA 0.056 4.796 4.740 0.000 0.000 0.212 6 N C -0.645 174.648 175.510 -0.361 0.000 1.127 6 N CA -0.042 52.916 53.050 -0.152 0.000 0.834 6 N CB 0.240 38.586 38.487 -0.234 0.000 1.014 6 N HN 0.050 nan 8.380 nan 0.000 0.491 7 Y N 0.339 120.670 120.300 0.051 0.000 2.553 7 Y HA 0.474 5.024 4.550 0.000 0.000 0.347 7 Y C -0.458 175.492 175.900 0.083 0.000 1.019 7 Y CA -1.124 56.994 58.100 0.029 0.000 1.032 7 Y CB 1.921 40.342 38.460 -0.065 0.000 1.284 7 Y HN -0.076 nan 8.280 nan 0.000 0.466 8 E N 0.952 121.333 120.200 0.302 0.000 2.331 8 E HA 0.640 4.990 4.350 0.000 0.000 0.275 8 E C -1.731 175.062 176.600 0.321 0.000 0.895 8 E CA -0.914 55.668 56.400 0.303 0.000 0.753 8 E CB 2.908 32.815 29.700 0.346 0.000 1.216 8 E HN 0.273 nan 8.360 nan 0.000 0.434 9 V N 1.917 122.040 119.914 0.350 0.000 2.435 9 V HA 0.362 4.482 4.120 0.000 0.000 0.290 9 V C -0.851 175.575 176.094 0.553 0.000 1.030 9 V CA -0.871 61.656 62.300 0.379 0.000 0.881 9 V CB 0.703 32.747 31.823 0.370 0.000 0.983 9 V HN 0.601 nan 8.190 nan 0.000 0.445 10 W N 3.686 125.116 121.300 0.217 0.000 2.338 10 W HA 0.468 5.128 4.660 0.000 0.000 0.307 10 W C -0.246 176.411 176.519 0.229 0.000 1.167 10 W CA -1.549 55.916 57.345 0.200 0.000 1.208 10 W CB 0.826 30.379 29.460 0.154 0.000 1.228 10 W HN 0.473 nan 8.180 nan 0.000 0.499 11 F N 4.468 124.579 119.950 0.268 0.000 2.375 11 F HA 0.438 4.965 4.527 0.000 0.000 0.362 11 F C -0.246 175.660 175.800 0.177 0.000 1.129 11 F CA -0.648 57.474 58.000 0.203 0.000 1.154 11 F CB 0.355 39.452 39.000 0.161 0.000 1.205 11 F HN -0.113 nan 8.300 nan 0.000 0.513 12 V N 7.805 127.653 119.914 -0.111 0.000 2.384 12 V HA 0.387 4.507 4.120 0.000 0.000 0.287 12 V C -0.049 175.983 176.094 -0.102 0.000 1.020 12 V CA -0.794 61.508 62.300 0.003 0.000 0.850 12 V CB 1.510 33.427 31.823 0.157 0.000 0.987 12 V HN 0.475 nan 8.190 nan 0.000 0.436 13 I N 3.771 124.317 120.570 -0.040 0.000 2.354 13 I HA 0.599 4.769 4.170 0.000 0.000 0.292 13 I C 0.933 177.041 176.117 -0.015 0.000 0.989 13 I CA 0.119 61.364 61.300 -0.092 0.000 1.188 13 I CB 1.671 39.599 38.000 -0.119 0.000 1.342 13 I HN 0.716 nan 8.210 nan 0.000 0.457 14 G N 3.438 112.237 108.800 -0.002 0.000 2.356 14 G HA2 0.572 4.532 3.960 0.000 0.000 0.298 14 G HA3 0.572 4.532 3.960 0.000 0.000 0.298 14 G C -0.491 174.398 174.900 -0.019 0.000 1.145 14 G CA -0.040 45.152 45.100 0.154 0.000 0.850 14 G HN 0.577 nan 8.290 nan 0.000 0.487 15 S N 0.540 116.252 115.700 0.020 0.000 3.211 15 S HA 0.668 5.138 4.470 0.000 0.000 0.320 15 S C -1.419 173.233 174.600 0.085 0.000 1.225 15 S CA -0.506 57.672 58.200 -0.037 0.000 1.044 15 S CB 1.203 64.314 63.200 -0.149 0.000 1.410 15 S HN 0.848 nan 8.310 nan 0.000 0.640 16 Q N -0.224 119.665 119.800 0.149 0.000 2.320 16 Q HA 0.321 4.661 4.340 0.000 0.000 0.272 16 Q C 0.186 176.319 176.000 0.221 0.000 1.023 16 Q CA -0.652 55.294 55.803 0.238 0.000 0.855 16 Q CB 0.887 29.821 28.738 0.326 0.000 1.367 16 Q HN 0.985 nan 8.270 nan 0.000 0.406 17 H N 4.161 123.288 119.070 0.095 0.000 2.489 17 H HA -0.051 4.505 4.556 0.000 0.000 0.293 17 H C 0.817 176.175 175.328 0.050 0.000 1.066 17 H CA 1.172 57.251 56.048 0.052 0.000 1.305 17 H CB 0.108 29.875 29.762 0.010 0.000 1.386 17 H HN 0.630 nan 8.280 nan 0.000 0.551 18 L N 0.079 120.966 121.223 -0.560 0.000 2.622 18 L HA -0.080 4.260 4.340 0.000 0.000 0.233 18 L C 1.649 178.329 176.870 -0.317 0.000 1.156 18 L CA 0.366 54.921 54.840 -0.475 0.000 0.866 18 L CB -0.456 41.288 42.059 -0.525 0.000 0.980 18 L HN 0.133 nan 8.230 nan 0.000 0.448 19 Y N 0.297 120.528 120.300 -0.114 0.000 2.314 19 Y HA 0.203 4.753 4.550 0.000 0.000 0.294 19 Y C 1.506 177.366 175.900 -0.066 0.000 1.119 19 Y CA 0.733 58.789 58.100 -0.073 0.000 1.179 19 Y CB 0.341 38.762 38.460 -0.065 0.000 1.025 19 Y HN 0.152 nan 8.280 nan 0.000 0.541 20 G N -1.341 107.502 108.800 0.072 0.000 2.379 20 G HA2 -0.042 3.919 3.960 0.000 0.000 0.609 20 G HA3 -0.042 3.919 3.960 0.000 0.000 0.609 20 G C -2.425 172.481 174.900 0.009 0.000 1.484 20 G CA -0.767 44.346 45.100 0.023 0.000 0.921 20 G HN -0.179 nan 8.290 nan 0.000 0.658 21 P HA -0.100 nan 4.420 nan 0.000 0.216 21 P C 1.464 178.737 177.300 -0.044 0.000 1.150 21 P CA 1.806 64.893 63.100 -0.021 0.000 0.843 21 P CB 0.382 32.071 31.700 -0.018 0.000 0.787 22 E N -0.905 119.270 120.200 -0.041 0.000 2.076 22 E HA -0.092 4.258 4.350 0.000 0.000 0.190 22 E C 1.840 178.385 176.600 -0.093 0.000 0.979 22 E CA 1.548 57.912 56.400 -0.060 0.000 0.807 22 E CB -1.205 28.470 29.700 -0.041 0.000 0.761 22 E HN 0.045 nan 8.360 nan 0.000 0.454 23 T N 1.180 115.691 114.554 -0.072 0.000 2.720 23 T HA -0.138 4.212 4.350 0.000 0.000 0.268 23 T C 1.771 176.348 174.700 -0.205 0.000 1.037 23 T CA 1.519 63.550 62.100 -0.115 0.000 1.144 23 T CB -0.288 68.565 68.868 -0.026 0.000 0.864 23 T HN 0.138 nan 8.240 nan 0.000 0.444 24 L N 0.653 121.784 121.223 -0.153 0.000 2.201 24 L HA -0.056 4.284 4.340 0.000 0.000 0.212 24 L C 3.309 180.047 176.870 -0.221 0.000 1.105 24 L CA 1.128 55.853 54.840 -0.192 0.000 0.775 24 L CB -0.718 41.277 42.059 -0.107 0.000 0.913 24 L HN 0.228 nan 8.230 nan 0.000 0.440 25 R N 0.214 120.603 120.500 -0.185 0.000 2.081 25 R HA -0.177 4.163 4.340 0.000 0.000 0.235 25 R C 1.969 178.104 176.300 -0.275 0.000 1.131 25 R CA 1.754 57.743 56.100 -0.185 0.000 0.960 25 R CB -1.241 28.980 30.300 -0.133 0.000 0.856 25 R HN 0.477 nan 8.270 nan 0.000 0.436 26 Q N 0.302 119.897 119.800 -0.343 0.000 2.119 26 Q HA -0.079 4.261 4.340 0.000 0.000 0.201 26 Q C 2.481 177.980 176.000 -0.836 0.000 0.972 26 Q CA 1.777 57.260 55.803 -0.532 0.000 0.847 26 Q CB -0.230 28.228 28.738 -0.468 0.000 0.903 26 Q HN 0.621 nan 8.270 nan 0.000 0.433 27 V N -0.903 118.562 119.914 -0.749 0.000 2.358 27 V HA -0.210 3.910 4.120 0.000 0.000 0.246 27 V C 2.319 178.072 176.094 -0.568 0.000 1.047 27 V CA 2.087 63.824 62.300 -0.938 0.000 1.035 27 V CB -1.476 29.764 31.823 -0.973 0.000 0.658 27 V HN 0.475 nan 8.190 nan 0.000 0.452 28 T N -1.993 112.329 114.554 -0.387 0.000 2.833 28 T HA -0.257 4.094 4.350 0.000 0.000 0.269 28 T C 1.951 176.537 174.700 -0.190 0.000 1.054 28 T CA 1.936 63.900 62.100 -0.227 0.000 1.135 28 T CB -0.590 68.177 68.868 -0.169 0.000 0.869 28 T HN 0.645 nan 8.240 nan 0.000 0.466 29 Q N 0.261 119.899 119.800 -0.271 0.000 2.046 29 Q HA -0.097 4.244 4.340 0.000 0.000 0.200 29 Q C 2.324 178.241 176.000 -0.138 0.000 0.975 29 Q CA 1.824 57.509 55.803 -0.196 0.000 0.836 29 Q CB -0.295 28.296 28.738 -0.246 0.000 0.896 29 Q HN 0.797 nan 8.270 nan 0.000 0.428 30 H N -0.178 118.666 119.070 -0.377 0.000 2.319 30 H HA -0.140 4.416 4.556 0.000 0.000 0.299 30 H C 2.159 177.448 175.328 -0.066 0.000 1.092 30 H CA 0.606 56.331 56.048 -0.539 0.000 1.302 30 H CB -0.022 29.336 29.762 -0.672 0.000 1.373 30 H HN 0.333 nan 8.280 nan 0.000 0.497 31 A N 1.098 123.975 122.820 0.094 0.000 1.873 31 A HA -0.256 4.064 4.320 0.000 0.000 0.218 31 A C 2.302 179.921 177.584 0.059 0.000 1.193 31 A CA 2.141 54.283 52.037 0.176 0.000 0.629 31 A CB -0.759 18.312 19.000 0.118 0.000 0.826 31 A HN 0.383 nan 8.150 nan 0.000 0.447 32 E N -1.626 118.588 120.200 0.023 0.000 2.118 32 E HA -0.237 4.113 4.350 0.000 0.000 0.195 32 E C 2.015 178.619 176.600 0.006 0.000 0.992 32 E CA 1.541 57.940 56.400 -0.002 0.000 0.804 32 E CB -0.742 28.954 29.700 -0.007 0.000 0.741 32 E HN 0.944 nan 8.360 nan 0.000 0.458 33 H N -0.491 118.568 119.070 -0.019 0.000 2.326 33 H HA -0.019 4.538 4.556 0.000 0.000 0.301 33 H C 2.239 177.454 175.328 -0.189 0.000 1.081 33 H CA 1.887 57.942 56.048 0.012 0.000 1.334 33 H CB -0.248 29.644 29.762 0.216 0.000 1.385 33 H HN 0.252 nan 8.280 nan 0.000 0.504 34 V N 0.207 120.018 119.914 -0.171 0.000 2.223 34 V HA -0.225 3.895 4.120 0.000 0.000 0.244 34 V C 2.558 178.399 176.094 -0.421 0.000 1.045 34 V CA 2.453 64.340 62.300 -0.689 0.000 1.000 34 V CB -1.129 30.274 31.823 -0.700 0.000 0.635 34 V HN 0.338 nan 8.190 nan 0.000 0.445 35 V N 0.666 120.320 119.914 -0.434 0.000 2.324 35 V HA -0.380 3.740 4.120 0.000 0.000 0.250 35 V C 2.444 178.414 176.094 -0.206 0.000 1.060 35 V CA 2.893 64.943 62.300 -0.415 0.000 1.042 35 V CB -1.064 30.547 31.823 -0.354 0.000 0.650 35 V HN 0.929 nan 8.190 nan 0.000 0.450 36 N N 0.073 118.681 118.700 -0.153 0.000 2.084 36 N HA -0.145 4.595 4.740 0.000 0.000 0.190 36 N C 1.736 177.200 175.510 -0.077 0.000 1.030 36 N CA 1.579 54.567 53.050 -0.104 0.000 0.849 36 N CB -0.321 38.099 38.487 -0.112 0.000 1.012 36 N HN 0.429 nan 8.380 nan 0.000 0.423 37 A N 0.238 123.021 122.820 -0.062 0.000 1.930 37 A HA -0.019 4.302 4.320 0.000 0.000 0.217 37 A C 2.195 179.804 177.584 0.041 0.000 1.175 37 A CA 0.914 52.981 52.037 0.050 0.000 0.627 37 A CB -0.686 18.476 19.000 0.269 0.000 0.815 37 A HN 0.361 nan 8.150 nan 0.000 0.443 38 L N -0.262 120.948 121.223 -0.022 0.000 2.093 38 L HA -0.158 4.182 4.340 0.000 0.000 0.208 38 L C 2.262 179.080 176.870 -0.087 0.000 1.085 38 L CA 0.973 55.752 54.840 -0.102 0.000 0.755 38 L CB -0.606 41.362 42.059 -0.152 0.000 0.904 38 L HN 0.347 nan 8.230 nan 0.000 0.435 39 N N -0.504 118.159 118.700 -0.062 0.000 2.120 39 N HA -0.131 4.609 4.740 0.000 0.000 0.188 39 N C 1.839 177.339 175.510 -0.018 0.000 1.024 39 N CA 1.896 54.928 53.050 -0.030 0.000 0.852 39 N CB -0.392 38.082 38.487 -0.022 0.000 1.003 39 N HN 0.296 nan 8.380 nan 0.000 0.424 40 T N 0.424 114.968 114.554 -0.016 0.000 2.732 40 T HA -0.053 4.297 4.350 0.000 0.000 0.261 40 T C 1.956 176.657 174.700 0.003 0.000 1.040 40 T CA 2.025 64.123 62.100 -0.003 0.000 1.145 40 T CB -0.221 68.648 68.868 0.000 0.000 0.866 40 T HN 0.571 nan 8.240 nan 0.000 0.427 41 E N -0.090 120.114 120.200 0.007 0.000 2.526 41 E HA 0.667 5.018 4.350 0.000 0.000 0.208 41 E C 1.666 178.272 176.600 0.010 0.000 0.997 41 E CA 0.591 57.005 56.400 0.024 0.000 0.961 41 E CB -0.301 29.434 29.700 0.059 0.000 1.030 41 E HN 0.516 nan 8.360 nan 0.000 0.483 42 A N -0.354 122.427 122.820 -0.065 0.000 2.195 42 A HA 0.486 4.806 4.320 0.000 0.000 0.210 42 A C 1.959 179.516 177.584 -0.046 0.000 1.165 42 A CA 1.521 53.466 52.037 -0.154 0.000 0.806 42 A CB -0.375 18.331 19.000 -0.491 0.000 0.847 42 A HN 1.372 nan 8.150 nan 0.000 0.482 43 K N -0.228 120.160 120.400 -0.021 0.000 3.419 43 K HA -0.139 4.181 4.320 0.000 0.000 0.272 43 K C -0.179 176.424 176.600 0.005 0.000 0.973 43 K CA 1.448 57.735 56.287 -0.001 0.000 0.749 43 K CB -3.004 29.502 32.500 0.011 0.000 1.403 43 K HN 0.631 nan 8.250 nan 0.000 0.456 44 L N -0.873 120.354 121.223 0.006 0.000 2.399 44 L HA 0.369 4.710 4.340 0.000 0.000 0.266 44 L C -0.511 176.401 176.870 0.070 0.000 1.114 44 L CA -2.124 52.740 54.840 0.040 0.000 0.804 44 L CB 1.173 43.257 42.059 0.042 0.000 1.146 44 L HN 0.183 nan 8.230 nan 0.000 0.451 45 P HA -0.123 nan 4.420 nan 0.000 0.216 45 P C -0.066 177.398 177.300 0.274 0.000 1.150 45 P CA 0.888 64.080 63.100 0.153 0.000 0.843 45 P CB 0.046 31.959 31.700 0.355 0.000 0.787 46 C N -6.672 112.785 119.300 0.262 0.000 3.336 46 C HA 0.855 5.315 4.460 0.000 0.000 0.339 46 C C -0.211 174.885 174.990 0.178 0.000 1.468 46 C CA -1.205 57.958 59.018 0.243 0.000 1.287 46 C CB 0.858 28.781 27.740 0.305 0.000 1.682 46 C HN 0.139 nan 8.230 nan 0.000 0.451 47 K N 0.320 120.820 120.400 0.167 0.000 2.270 47 K HA 0.664 4.984 4.320 0.000 0.000 0.276 47 K C -0.734 175.967 176.600 0.168 0.000 1.023 47 K CA -0.197 56.171 56.287 0.135 0.000 0.955 47 K CB -0.025 32.544 32.500 0.115 0.000 0.975 47 K HN 0.740 nan 8.250 nan 0.000 0.471 48 L N 2.223 123.528 121.223 0.136 0.000 2.276 48 L HA 0.370 4.711 4.340 0.000 0.000 0.286 48 L C -0.506 176.450 176.870 0.143 0.000 1.061 48 L CA -1.107 53.838 54.840 0.176 0.000 0.807 48 L CB 1.752 43.881 42.059 0.116 0.000 1.177 48 L HN 0.463 nan 8.230 nan 0.000 0.429 49 V N 4.978 125.006 119.914 0.190 0.000 2.347 49 V HA 0.189 4.309 4.120 0.000 0.000 0.280 49 V C 0.034 176.165 176.094 0.063 0.000 1.021 49 V CA -0.673 61.669 62.300 0.070 0.000 0.847 49 V CB 1.589 33.400 31.823 -0.020 0.000 0.990 49 V HN 0.425 nan 8.190 nan 0.000 0.444 50 L N 6.039 127.295 121.223 0.055 0.000 2.433 50 L HA 0.497 4.838 4.340 0.000 0.000 0.275 50 L C 0.535 177.385 176.870 -0.034 0.000 1.128 50 L CA 0.559 55.459 54.840 0.101 0.000 0.875 50 L CB 0.088 42.196 42.059 0.081 0.000 1.171 50 L HN 0.768 nan 8.230 nan 0.000 0.463 51 K N 5.821 126.193 120.400 -0.046 0.000 2.090 51 K HA 0.693 5.013 4.320 0.000 0.000 0.250 51 K C -2.433 174.121 176.600 -0.077 0.000 1.004 51 K CA -1.318 54.876 56.287 -0.156 0.000 0.919 51 K CB -0.863 31.531 32.500 -0.177 0.000 1.045 51 K HN 0.654 nan 8.250 nan 0.000 0.471 52 P HA 0.115 nan 4.420 nan 0.000 0.269 52 P C -0.274 176.990 177.300 -0.061 0.000 1.217 52 P CA -0.500 62.555 63.100 -0.074 0.000 0.783 52 P CB 0.236 31.888 31.700 -0.080 0.000 0.898 53 L N 0.881 122.064 121.223 -0.067 0.000 2.525 53 L HA 0.134 4.474 4.340 0.000 0.000 0.278 53 L C 1.365 178.190 176.870 -0.075 0.000 1.218 53 L CA 0.118 54.915 54.840 -0.072 0.000 0.878 53 L CB -0.258 41.747 42.059 -0.089 0.000 1.127 53 L HN 0.492 nan 8.230 nan 0.000 0.492 54 G N 1.870 110.626 108.800 -0.074 0.000 2.546 54 G HA2 0.359 4.319 3.960 0.000 0.000 0.320 54 G HA3 0.359 4.319 3.960 0.000 0.000 0.320 54 G C 0.474 175.307 174.900 -0.112 0.000 0.984 54 G CA -0.299 44.717 45.100 -0.141 0.000 1.183 54 G HN 0.765 nan 8.290 nan 0.000 0.443 55 T N 0.734 115.230 114.554 -0.096 0.000 3.019 55 T HA 0.155 4.505 4.350 0.000 0.000 0.247 55 T C 1.441 176.149 174.700 0.013 0.000 0.992 55 T CA 1.003 63.095 62.100 -0.013 0.000 1.036 55 T CB 0.375 69.250 68.868 0.013 0.000 1.063 55 T HN 0.696 nan 8.240 nan 0.000 0.476 56 T N -0.475 114.036 114.554 -0.071 0.000 2.926 56 T HA 0.470 4.820 4.350 0.000 0.000 0.289 56 T C -2.427 172.185 174.700 -0.147 0.000 1.054 56 T CA -1.955 60.096 62.100 -0.082 0.000 1.015 56 T CB 1.985 70.769 68.868 -0.141 0.000 1.167 56 T HN -0.288 nan 8.240 nan 0.000 0.526 57 P HA -0.029 nan 4.420 nan 0.000 0.215 57 P C 0.789 178.008 177.300 -0.135 0.000 1.153 57 P CA 1.048 64.067 63.100 -0.135 0.000 0.853 57 P CB 0.004 31.664 31.700 -0.066 0.000 0.788 58 D N -0.946 119.388 120.400 -0.109 0.000 2.224 58 D HA -0.096 4.544 4.640 0.000 0.000 0.205 58 D C 1.865 178.105 176.300 -0.100 0.000 0.965 58 D CA 0.847 54.793 54.000 -0.090 0.000 0.852 58 D CB -0.340 40.414 40.800 -0.075 0.000 0.947 58 D HN 0.309 nan 8.370 nan 0.000 0.494 59 E N -0.078 120.048 120.200 -0.124 0.000 2.107 59 E HA -0.052 4.298 4.350 0.000 0.000 0.191 59 E C 2.113 178.619 176.600 -0.157 0.000 0.982 59 E CA 0.411 56.738 56.400 -0.123 0.000 0.809 59 E CB 0.122 29.747 29.700 -0.125 0.000 0.756 59 E HN 0.294 nan 8.360 nan 0.000 0.459 60 I N 0.725 121.140 120.570 -0.258 0.000 2.353 60 I HA -0.200 3.970 4.170 0.000 0.000 0.248 60 I C 2.299 178.295 176.117 -0.202 0.000 1.119 60 I CA 0.944 62.008 61.300 -0.392 0.000 1.417 60 I CB -0.088 37.429 38.000 -0.805 0.000 1.078 60 I HN 0.064 nan 8.210 nan 0.000 0.421 61 T N 0.688 115.160 114.554 -0.137 0.000 2.777 61 T HA -0.118 4.232 4.350 0.000 0.000 0.266 61 T C 2.108 176.800 174.700 -0.013 0.000 1.040 61 T CA 1.334 63.404 62.100 -0.050 0.000 1.141 61 T CB -0.292 68.550 68.868 -0.044 0.000 0.868 61 T HN 0.444 nan 8.240 nan 0.000 0.444 62 A N 1.325 124.129 122.820 -0.025 0.000 1.892 62 A HA -0.115 4.205 4.320 0.000 0.000 0.218 62 A C 2.273 179.897 177.584 0.065 0.000 1.188 62 A CA 1.551 53.591 52.037 0.006 0.000 0.631 62 A CB -0.914 18.076 19.000 -0.017 0.000 0.822 62 A HN 0.526 nan 8.150 nan 0.000 0.447 63 I N -0.725 119.884 120.570 0.065 0.000 2.226 63 I HA -0.320 3.850 4.170 0.000 0.000 0.245 63 I C 2.453 178.721 176.117 0.251 0.000 1.100 63 I CA 1.229 62.642 61.300 0.188 0.000 1.374 63 I CB -0.347 37.736 38.000 0.138 0.000 1.057 63 I HN 0.405 nan 8.210 nan 0.000 0.413 64 C N 0.271 119.657 119.300 0.143 0.000 2.435 64 C HA -0.117 4.343 4.460 0.000 0.000 0.279 64 C C 2.931 177.979 174.990 0.095 0.000 1.321 64 C CA 0.832 59.922 59.018 0.120 0.000 1.752 64 C CB -1.216 26.587 27.740 0.105 0.000 1.959 64 C HN 0.497 nan 8.230 nan 0.000 0.500 65 R N 1.305 121.862 120.500 0.095 0.000 2.062 65 R HA -0.114 4.226 4.340 0.000 0.000 0.229 65 R C 1.611 177.991 176.300 0.132 0.000 1.128 65 R CA 1.992 58.143 56.100 0.085 0.000 0.960 65 R CB -0.544 29.786 30.300 0.050 0.000 0.855 65 R HN 0.413 nan 8.270 nan 0.000 0.432 66 D N 0.959 121.472 120.400 0.188 0.000 2.097 66 D HA -0.144 4.496 4.640 0.000 0.000 0.195 66 D C 1.914 178.380 176.300 0.277 0.000 0.989 66 D CA 1.647 55.835 54.000 0.314 0.000 0.827 66 D CB -0.358 40.699 40.800 0.429 0.000 0.966 66 D HN 0.435 nan 8.370 nan 0.000 0.456 67 A N 1.320 124.179 122.820 0.066 0.000 1.892 67 A HA -0.282 4.039 4.320 0.000 0.000 0.218 67 A C 1.983 179.397 177.584 -0.283 0.000 1.188 67 A CA 2.054 53.758 52.037 -0.555 0.000 0.631 67 A CB -1.102 17.673 19.000 -0.376 0.000 0.822 67 A HN 0.317 nan 8.150 nan 0.000 0.447 68 N N -2.374 116.288 118.700 -0.064 0.000 2.166 68 N HA -0.187 4.553 4.740 0.000 0.000 0.186 68 N C 1.746 177.282 175.510 0.044 0.000 1.019 68 N CA 1.556 54.601 53.050 -0.008 0.000 0.856 68 N CB -0.290 38.224 38.487 0.044 0.000 0.993 68 N HN 0.678 nan 8.380 nan 0.000 0.426 69 Y N 1.343 121.641 120.300 -0.003 0.000 2.263 69 Y HA -0.043 4.507 4.550 0.000 0.000 0.292 69 Y C 0.432 176.357 175.900 0.041 0.000 1.130 69 Y CA 0.632 58.751 58.100 0.031 0.000 1.179 69 Y CB 0.196 38.691 38.460 0.058 0.000 0.998 69 Y HN -0.092 nan 8.280 nan 0.000 0.532 70 D N 1.172 121.622 120.400 0.082 0.000 2.344 70 D HA -0.038 4.602 4.640 0.000 0.000 0.253 70 D C 0.631 176.921 176.300 -0.016 0.000 1.255 70 D CA 0.152 54.197 54.000 0.075 0.000 0.894 70 D CB 0.497 41.462 40.800 0.274 0.000 1.067 70 D HN 0.482 nan 8.370 nan 0.000 0.492 71 D N 3.940 124.309 120.400 -0.051 0.000 2.133 71 D HA -0.185 4.455 4.640 0.000 0.000 0.195 71 D C -1.050 175.267 176.300 0.028 0.000 0.997 71 D CA 0.745 54.739 54.000 -0.010 0.000 0.840 71 D CB -1.804 38.971 40.800 -0.041 0.000 0.947 71 D HN 0.367 nan 8.370 nan 0.000 0.452 72 P HA 0.005 nan 4.420 nan 0.000 0.226 72 P C 0.463 177.874 177.300 0.185 0.000 1.153 72 P CA 0.203 63.309 63.100 0.010 0.000 0.777 72 P CB -0.185 31.537 31.700 0.038 0.000 0.794 73 C N 0.549 119.887 119.300 0.063 0.000 2.540 73 C HA 0.513 4.973 4.460 0.000 0.000 0.377 73 C C 1.746 176.661 174.990 -0.126 0.000 1.274 73 C CA 0.023 58.929 59.018 -0.187 0.000 1.718 73 C CB -1.682 25.598 27.740 -0.766 0.000 2.391 73 C HN 0.289 nan 8.230 nan 0.000 0.565 74 A N 4.409 127.189 122.820 -0.067 0.000 2.220 74 A HA 0.642 4.962 4.320 0.000 0.000 0.211 74 A C 1.004 178.472 177.584 -0.192 0.000 1.176 74 A CA 0.732 52.669 52.037 -0.168 0.000 0.834 74 A CB -0.192 18.645 19.000 -0.272 0.000 0.868 74 A HN 1.545 nan 8.150 nan 0.000 0.488 75 G N -1.539 107.201 108.800 -0.100 0.000 2.315 75 G HA2 0.448 4.408 3.960 0.000 0.000 0.294 75 G HA3 0.448 4.408 3.960 0.000 0.000 0.294 75 G C -1.792 173.224 174.900 0.194 0.000 1.300 75 G CA -0.802 44.337 45.100 0.064 0.000 0.843 75 G HN 0.402 nan 8.290 nan 0.000 0.527 76 L N 0.163 121.574 121.223 0.314 0.000 2.385 76 L HA 0.757 5.097 4.340 0.000 0.000 0.273 76 L C -0.277 176.659 176.870 0.110 0.000 0.990 76 L CA -1.275 53.709 54.840 0.242 0.000 0.821 76 L CB 1.969 44.138 42.059 0.183 0.000 1.279 76 L HN 0.534 nan 8.230 nan 0.000 0.412 77 V N 4.813 124.758 119.914 0.051 0.000 2.370 77 V HA 0.629 4.749 4.120 0.000 0.000 0.283 77 V C -0.351 175.590 176.094 -0.255 0.000 1.023 77 V CA -0.436 61.767 62.300 -0.161 0.000 0.857 77 V CB 1.834 33.631 31.823 -0.043 0.000 0.985 77 V HN 0.527 nan 8.190 nan 0.000 0.443 78 V N 4.951 124.684 119.914 -0.300 0.000 2.459 78 V HA 0.729 4.849 4.120 0.000 0.000 0.295 78 V C -0.995 174.930 176.094 -0.281 0.000 1.029 78 V CA -0.714 61.371 62.300 -0.359 0.000 0.874 78 V CB 1.518 33.041 31.823 -0.501 0.000 0.985 78 V HN 1.061 nan 8.190 nan 0.000 0.438 79 W N 6.738 127.738 121.300 -0.500 0.000 2.471 79 W HA 0.687 5.347 4.660 0.000 0.000 0.318 79 W C -1.090 175.271 176.519 -0.264 0.000 1.034 79 W CA -2.263 54.878 57.345 -0.341 0.000 1.224 79 W CB 1.511 30.816 29.460 -0.259 0.000 1.335 79 W HN 0.669 nan 8.180 nan 0.000 0.452 80 L N 7.718 128.956 121.223 0.024 0.000 2.422 80 L HA 0.045 4.385 4.340 0.000 0.000 0.256 80 L C 2.025 178.747 176.870 -0.246 0.000 1.202 80 L CA -0.400 54.341 54.840 -0.165 0.000 1.119 80 L CB -0.286 41.682 42.059 -0.152 0.000 1.383 80 L HN 0.622 nan 8.230 nan 0.000 0.411 81 H N 1.080 119.679 119.070 -0.785 0.000 2.289 81 H HA -0.076 4.480 4.556 0.000 0.000 0.296 81 H C 0.385 175.453 175.328 -0.433 0.000 1.091 81 H CA 1.363 56.889 56.048 -0.871 0.000 1.274 81 H CB 0.532 29.636 29.762 -1.097 0.000 1.364 81 H HN 0.375 nan 8.280 nan 0.000 0.490 82 T N 0.028 114.471 114.554 -0.184 0.000 2.950 82 T HA 0.211 4.562 4.350 0.000 0.000 0.288 82 T C -0.747 173.922 174.700 -0.052 0.000 1.035 82 T CA -0.714 61.259 62.100 -0.212 0.000 1.028 82 T CB 1.260 69.825 68.868 -0.505 0.000 1.109 82 T HN 0.082 nan 8.240 nan 0.000 0.514 83 F N 2.571 122.481 119.950 -0.066 0.000 2.612 83 F HA 0.241 4.768 4.527 0.000 0.000 0.389 83 F C 0.736 176.636 175.800 0.165 0.000 1.055 83 F CA 0.481 58.552 58.000 0.117 0.000 1.232 83 F CB 0.310 39.473 39.000 0.272 0.000 1.044 83 F HN 0.342 nan 8.300 nan 0.000 0.560 84 S N 7.922 123.462 115.700 -0.266 0.000 2.389 84 S HA 0.434 4.904 4.470 0.000 0.000 0.201 84 S C -2.729 171.819 174.600 -0.087 0.000 1.422 84 S CA -1.565 56.634 58.200 -0.002 0.000 1.216 84 S CB 0.198 63.519 63.200 0.202 0.000 1.130 84 S HN 0.345 nan 8.310 nan 0.000 0.465 85 P HA 0.035 nan 4.420 nan 0.000 0.259 85 P C 0.491 177.894 177.300 0.173 0.000 1.163 85 P CA 0.245 63.320 63.100 -0.041 0.000 0.760 85 P CB 0.500 32.290 31.700 0.150 0.000 0.762 86 A N 4.904 127.815 122.820 0.151 0.000 2.119 86 A HA -0.146 4.175 4.320 0.000 0.000 0.217 86 A C 1.827 179.595 177.584 0.307 0.000 1.153 86 A CA 1.093 53.298 52.037 0.280 0.000 0.692 86 A CB -0.642 18.434 19.000 0.128 0.000 0.799 86 A HN 0.466 nan 8.150 nan 0.000 0.458 87 K N -0.524 120.006 120.400 0.216 0.000 2.209 87 K HA -0.069 4.251 4.320 0.000 0.000 0.204 87 K C 1.766 178.459 176.600 0.154 0.000 1.048 87 K CA 1.463 57.851 56.287 0.169 0.000 0.940 87 K CB -0.291 32.285 32.500 0.127 0.000 0.729 87 K HN 0.539 nan 8.250 nan 0.000 0.451 88 M N -1.092 118.602 119.600 0.157 0.000 2.267 88 M HA -0.182 4.298 4.480 0.000 0.000 0.263 88 M C 1.141 177.408 176.300 -0.055 0.000 1.063 88 M CA 1.583 56.898 55.300 0.025 0.000 1.090 88 M CB -0.288 32.289 32.600 -0.038 0.000 1.392 88 M HN 0.248 nan 8.290 nan 0.000 0.422 89 W N -0.038 121.306 121.300 0.074 0.000 3.003 89 W HA 0.168 4.828 4.660 0.000 0.000 0.257 89 W C 1.833 178.388 176.519 0.060 0.000 1.308 89 W CA 0.007 57.408 57.345 0.093 0.000 1.529 89 W CB -0.304 29.247 29.460 0.153 0.000 1.115 89 W HN 0.088 nan 8.180 nan 0.000 0.659 90 I N 0.758 121.464 120.570 0.226 0.000 2.099 90 I HA -0.373 3.797 4.170 0.000 0.000 0.239 90 I C 2.219 178.395 176.117 0.099 0.000 1.066 90 I CA 1.354 62.736 61.300 0.138 0.000 1.324 90 I CB -0.525 37.532 38.000 0.096 0.000 1.037 90 I HN -0.025 nan 8.210 nan 0.000 0.401 91 N N 0.948 119.688 118.700 0.068 0.000 2.223 91 N HA -0.114 4.626 4.740 0.000 0.000 0.185 91 N C 1.807 177.348 175.510 0.052 0.000 1.016 91 N CA 1.572 54.648 53.050 0.043 0.000 0.863 91 N CB -0.458 38.040 38.487 0.019 0.000 0.983 91 N HN 0.453 nan 8.380 nan 0.000 0.429 92 G N 1.014 109.853 108.800 0.064 0.000 2.394 92 G HA2 -0.102 3.858 3.960 0.000 0.000 0.215 92 G HA3 -0.102 3.858 3.960 0.000 0.000 0.215 92 G C 1.640 176.625 174.900 0.141 0.000 1.165 92 G CA 0.112 45.262 45.100 0.083 0.000 0.784 92 G HN 0.215 nan 8.290 nan 0.000 0.535 93 L N 0.654 121.998 121.223 0.201 0.000 2.275 93 L HA -0.038 4.303 4.340 0.000 0.000 0.215 93 L C 2.991 179.931 176.870 0.116 0.000 1.119 93 L CA 0.985 55.945 54.840 0.201 0.000 0.790 93 L CB -0.412 41.784 42.059 0.228 0.000 0.919 93 L HN 0.165 nan 8.230 nan 0.000 0.443 94 T N 0.163 114.766 114.554 0.083 0.000 2.857 94 T HA -0.156 4.194 4.350 0.000 0.000 0.266 94 T C 1.757 176.482 174.700 0.042 0.000 1.048 94 T CA 1.542 63.670 62.100 0.046 0.000 1.139 94 T CB -0.055 68.834 68.868 0.034 0.000 0.874 94 T HN 0.451 nan 8.240 nan 0.000 0.455 95 M N 0.226 119.857 119.600 0.052 0.000 2.509 95 M HA 0.319 4.799 4.480 0.000 0.000 0.250 95 M C 0.470 176.799 176.300 0.048 0.000 1.132 95 M CA 0.195 55.521 55.300 0.043 0.000 1.080 95 M CB -0.158 32.466 32.600 0.040 0.000 1.408 95 M HN 0.039 nan 8.290 nan 0.000 0.484 96 L N 3.598 124.862 121.223 0.067 0.000 2.565 96 L HA 0.250 4.590 4.340 0.000 0.000 0.275 96 L C 0.967 177.862 176.870 0.043 0.000 1.137 96 L CA 0.932 55.813 54.840 0.067 0.000 0.915 96 L CB -0.161 41.965 42.059 0.112 0.000 1.232 96 L HN 0.415 nan 8.230 nan 0.000 0.473 97 N N 3.447 122.157 118.700 0.017 0.000 2.398 97 N HA 0.053 4.794 4.740 0.000 0.000 0.188 97 N C 0.506 175.998 175.510 -0.030 0.000 1.122 97 N CA 0.303 53.349 53.050 -0.007 0.000 0.866 97 N CB -0.132 38.349 38.487 -0.011 0.000 0.970 97 N HN 0.519 nan 8.380 nan 0.000 0.462 98 K N 1.073 121.458 120.400 -0.025 0.000 2.203 98 K HA 0.502 4.822 4.320 0.000 0.000 0.251 98 K C -2.522 174.084 176.600 0.010 0.000 0.944 98 K CA -2.220 54.037 56.287 -0.050 0.000 0.829 98 K CB 2.263 34.703 32.500 -0.100 0.000 1.125 98 K HN 0.086 nan 8.250 nan 0.000 0.430 99 P HA 0.156 nan 4.420 nan 0.000 0.274 99 P C -1.201 176.306 177.300 0.345 0.000 1.231 99 P CA -0.539 62.637 63.100 0.127 0.000 0.790 99 P CB 0.774 32.468 31.700 -0.010 0.000 0.951 100 L N 2.747 124.195 121.223 0.376 0.000 2.381 100 L HA 0.682 5.022 4.340 0.000 0.000 0.268 100 L C -1.525 175.337 176.870 -0.013 0.000 0.997 100 L CA -0.961 53.991 54.840 0.186 0.000 0.818 100 L CB 1.941 43.958 42.059 -0.070 0.000 1.310 100 L HN 0.250 nan 8.230 nan 0.000 0.416 101 L N 3.450 124.394 121.223 -0.466 0.000 2.409 101 L HA 0.527 4.867 4.340 0.000 0.000 0.272 101 L C -0.873 175.746 176.870 -0.418 0.000 0.980 101 L CA -0.118 54.291 54.840 -0.719 0.000 0.826 101 L CB 1.778 42.845 42.059 -1.653 0.000 1.268 101 L HN 0.804 nan 8.230 nan 0.000 0.407 102 Q N 3.907 123.566 119.800 -0.236 0.000 2.294 102 Q HA 0.211 4.551 4.340 0.000 0.000 0.257 102 Q C -1.463 174.530 176.000 -0.011 0.000 0.955 102 Q CA -0.548 55.157 55.803 -0.164 0.000 0.936 102 Q CB 0.817 29.505 28.738 -0.084 0.000 1.188 102 Q HN 0.634 nan 8.270 nan 0.000 0.420 103 F N 5.749 125.589 119.950 -0.182 0.000 2.377 103 F HA 0.142 4.669 4.527 0.000 0.000 0.360 103 F C -0.557 175.198 175.800 -0.075 0.000 1.147 103 F CA -0.855 57.076 58.000 -0.116 0.000 1.170 103 F CB 0.012 38.956 39.000 -0.093 0.000 1.339 103 F HN 0.649 nan 8.300 nan 0.000 0.552 104 H N 4.749 123.799 119.070 -0.033 0.000 3.224 104 H HA 0.132 4.688 4.556 0.000 0.000 0.265 104 H C 0.009 175.109 175.328 -0.380 0.000 1.461 104 H CA 0.381 56.339 56.048 -0.150 0.000 1.509 104 H CB 0.271 30.019 29.762 -0.025 0.000 1.686 104 H HN 0.670 nan 8.280 nan 0.000 0.514 105 T N 2.679 116.726 114.554 -0.845 0.000 2.762 105 T HA 0.352 4.702 4.350 0.000 0.000 0.272 105 T C -1.117 173.224 174.700 -0.598 0.000 0.982 105 T CA -0.585 60.929 62.100 -0.978 0.000 1.013 105 T CB 2.297 70.098 68.868 -1.778 0.000 1.309 105 T HN 0.681 nan 8.240 nan 0.000 0.572 106 Q N -0.154 119.418 119.800 -0.381 0.000 2.391 106 Q HA 0.372 4.713 4.340 0.000 0.000 0.279 106 Q C -0.695 175.447 176.000 0.236 0.000 1.028 106 Q CA -0.643 55.158 55.803 -0.004 0.000 0.836 106 Q CB 1.692 30.444 28.738 0.024 0.000 1.414 106 Q HN 0.650 nan 8.270 nan 0.000 0.397 107 F N 2.245 122.307 119.950 0.186 0.000 2.128 107 F HA -0.007 4.520 4.527 0.000 0.000 0.295 107 F C 1.022 177.115 175.800 0.488 0.000 1.100 107 F CA 1.133 59.310 58.000 0.295 0.000 1.260 107 F CB 0.218 39.137 39.000 -0.135 0.000 1.009 107 F HN 0.611 nan 8.300 nan 0.000 0.476 108 N N 0.640 119.515 118.700 0.292 0.000 2.524 108 N HA 0.261 5.001 4.740 0.000 0.000 0.283 108 N C 0.512 175.916 175.510 -0.176 0.000 1.142 108 N CA 0.468 53.552 53.050 0.056 0.000 0.984 108 N CB 1.345 39.906 38.487 0.123 0.000 1.155 108 N HN 0.191 nan 8.380 nan 0.000 0.467 109 A N 1.445 123.900 122.820 -0.609 0.000 1.871 109 A HA 0.373 4.693 4.320 0.000 0.000 0.211 109 A C 1.000 178.378 177.584 -0.342 0.000 1.207 109 A CA 0.966 52.556 52.037 -0.744 0.000 0.620 109 A CB -0.694 17.728 19.000 -0.963 0.000 0.860 109 A HN 0.892 nan 8.150 nan 0.000 0.450 110 A N -0.101 122.551 122.820 -0.280 0.000 2.301 110 A HA 0.610 4.930 4.320 0.000 0.000 0.312 110 A C -0.130 177.257 177.584 -0.327 0.000 1.182 110 A CA -0.578 51.323 52.037 -0.227 0.000 0.826 110 A CB 0.089 19.003 19.000 -0.143 0.000 1.134 110 A HN 0.421 nan 8.150 nan 0.000 0.501 111 L N 3.757 124.667 121.223 -0.522 0.000 2.559 111 L HA 0.168 4.508 4.340 0.000 0.000 0.274 111 L C -1.600 174.710 176.870 -0.933 0.000 1.205 111 L CA -1.014 53.324 54.840 -0.837 0.000 0.907 111 L CB 0.448 41.707 42.059 -1.333 0.000 1.153 111 L HN 0.527 nan 8.230 nan 0.000 0.490 112 P HA 0.012 nan 4.420 nan 0.000 0.238 112 P C 0.119 177.213 177.300 -0.343 0.000 1.794 112 P CA -0.275 62.559 63.100 -0.443 0.000 1.088 112 P CB -0.009 31.452 31.700 -0.399 0.000 1.923 113 W N 2.123 123.350 121.300 -0.122 0.000 2.318 113 W HA -0.199 4.461 4.660 0.000 0.000 0.313 113 W C 1.903 178.378 176.519 -0.073 0.000 1.221 113 W CA 1.773 59.064 57.345 -0.089 0.000 1.266 113 W CB -1.058 28.365 29.460 -0.061 0.000 1.150 113 W HN 0.273 nan 8.180 nan 0.000 0.496 114 D N -0.661 119.841 120.400 0.170 0.000 2.317 114 D HA -0.057 4.583 4.640 0.000 0.000 0.211 114 D C 1.412 177.730 176.300 0.031 0.000 0.966 114 D CA 1.428 55.481 54.000 0.089 0.000 0.876 114 D CB -0.765 40.082 40.800 0.078 0.000 0.927 114 D HN 0.290 nan 8.370 nan 0.000 0.519 115 S N -0.174 115.515 115.700 -0.018 0.000 2.540 115 S HA 0.190 4.660 4.470 0.000 0.000 0.222 115 S C 0.872 175.427 174.600 -0.075 0.000 1.008 115 S CA -0.649 57.530 58.200 -0.036 0.000 0.939 115 S CB 0.380 63.558 63.200 -0.036 0.000 0.865 115 S HN 0.198 nan 8.310 nan 0.000 0.499 116 I N 4.101 124.585 120.570 -0.143 0.000 2.556 116 I HA 0.227 4.397 4.170 0.000 0.000 0.284 116 I C -0.887 175.217 176.117 -0.022 0.000 1.114 116 I CA 0.206 61.385 61.300 -0.202 0.000 1.418 116 I CB 0.416 38.214 38.000 -0.337 0.000 1.394 116 I HN 0.287 nan 8.210 nan 0.000 0.552 117 D N 5.697 126.141 120.400 0.074 0.000 2.677 117 D HA 0.145 4.785 4.640 0.000 0.000 0.298 117 D C 0.312 176.707 176.300 0.158 0.000 1.250 117 D CA -0.656 53.406 54.000 0.103 0.000 0.888 117 D CB 0.552 41.403 40.800 0.083 0.000 1.397 117 D HN 0.239 nan 8.370 nan 0.000 0.461 118 M N 0.285 119.955 119.600 0.116 0.000 2.106 118 M HA -0.114 4.367 4.480 0.000 0.000 0.259 118 M C 1.227 177.603 176.300 0.128 0.000 1.068 118 M CA 1.540 56.908 55.300 0.113 0.000 1.100 118 M CB -1.206 31.439 32.600 0.075 0.000 1.351 118 M HN 0.523 nan 8.290 nan 0.000 0.404 119 D N -0.212 120.262 120.400 0.123 0.000 2.103 119 D HA -0.208 4.432 4.640 0.000 0.000 0.190 119 D C 1.879 178.262 176.300 0.139 0.000 0.997 119 D CA 1.232 55.302 54.000 0.116 0.000 0.833 119 D CB -0.365 40.502 40.800 0.111 0.000 0.961 119 D HN 0.364 nan 8.370 nan 0.000 0.447 120 F N -0.002 119.981 119.950 0.055 0.000 2.250 120 F HA -0.178 4.349 4.527 0.000 0.000 0.301 120 F C 2.196 178.038 175.800 0.071 0.000 1.077 120 F CA 1.091 59.128 58.000 0.062 0.000 1.348 120 F CB -0.011 39.016 39.000 0.044 0.000 1.040 120 F HN -0.071 nan 8.300 nan 0.000 0.509 121 M N 0.571 120.278 119.600 0.178 0.000 2.501 121 M HA 0.110 4.590 4.480 0.000 0.000 0.261 121 M C 2.104 178.460 176.300 0.093 0.000 1.129 121 M CA 1.317 56.703 55.300 0.144 0.000 1.126 121 M CB -1.172 31.559 32.600 0.218 0.000 1.359 121 M HN 0.229 nan 8.290 nan 0.000 0.471 122 N N 0.572 119.330 118.700 0.097 0.000 2.039 122 N HA -0.041 4.699 4.740 0.000 0.000 0.193 122 N C 0.947 176.463 175.510 0.011 0.000 1.044 122 N CA 1.397 54.539 53.050 0.154 0.000 0.847 122 N CB -0.731 37.858 38.487 0.170 0.000 1.030 122 N HN 0.325 nan 8.380 nan 0.000 0.422 123 L N 0.536 121.707 121.223 -0.086 0.000 2.476 123 L HA 0.254 4.595 4.340 0.000 0.000 0.255 123 L C -0.150 176.588 176.870 -0.220 0.000 1.218 123 L CA 0.130 54.861 54.840 -0.183 0.000 0.819 123 L CB -0.055 41.900 42.059 -0.175 0.000 1.119 123 L HN 0.661 nan 8.230 nan 0.000 0.485 124 N N 1.490 120.134 118.700 -0.094 0.000 2.556 124 N HA -0.217 4.523 4.740 0.000 0.000 0.288 124 N C -1.033 174.341 175.510 -0.227 0.000 1.226 124 N CA 1.149 54.054 53.050 -0.241 0.000 0.719 124 N CB -0.817 37.355 38.487 -0.524 0.000 0.923 124 N HN 0.675 nan 8.380 nan 0.000 0.544 125 Q N -1.630 118.041 119.800 -0.216 0.000 2.141 125 Q HA 0.226 4.566 4.340 0.000 0.000 0.295 125 Q C 0.194 175.930 176.000 -0.440 0.000 0.870 125 Q CA -0.478 55.115 55.803 -0.351 0.000 1.096 125 Q CB 0.170 28.721 28.738 -0.311 0.000 1.288 125 Q HN 0.309 nan 8.270 nan 0.000 0.418 126 T N 0.828 115.242 114.554 -0.232 0.000 2.737 126 T HA -0.257 4.094 4.350 0.000 0.000 0.269 126 T C 2.049 176.704 174.700 -0.076 0.000 1.040 126 T CA 1.854 63.874 62.100 -0.134 0.000 1.142 126 T CB -0.154 68.645 68.868 -0.114 0.000 0.861 126 T HN 0.569 nan 8.240 nan 0.000 0.456 127 A N 2.515 125.265 122.820 -0.117 0.000 1.958 127 A HA -0.264 4.056 4.320 0.000 0.000 0.221 127 A C 2.097 179.819 177.584 0.230 0.000 1.178 127 A CA 2.134 54.220 52.037 0.082 0.000 0.642 127 A CB -0.791 18.266 19.000 0.096 0.000 0.816 127 A HN 0.880 nan 8.150 nan 0.000 0.453 128 H N -3.012 116.189 119.070 0.218 0.000 2.476 128 H HA 0.156 4.712 4.556 0.000 0.000 0.292 128 H C 2.289 177.849 175.328 0.386 0.000 1.019 128 H CA 0.900 57.105 56.048 0.262 0.000 1.330 128 H CB -1.067 28.807 29.762 0.186 0.000 1.451 128 H HN 0.353 nan 8.280 nan 0.000 0.535 129 G N 1.264 110.241 108.800 0.295 0.000 2.440 129 G HA2 -0.261 3.700 3.960 0.000 0.000 0.218 129 G HA3 -0.261 3.700 3.960 0.000 0.000 0.218 129 G C 1.932 176.923 174.900 0.152 0.000 1.154 129 G CA 0.958 46.200 45.100 0.236 0.000 0.767 129 G HN 0.566 nan 8.290 nan 0.000 0.552 130 G N 0.176 109.117 108.800 0.235 0.000 2.448 130 G HA2 -0.124 3.836 3.960 0.000 0.000 0.219 130 G HA3 -0.124 3.836 3.960 0.000 0.000 0.219 130 G C 1.955 176.935 174.900 0.133 0.000 1.127 130 G CA 0.698 45.941 45.100 0.239 0.000 0.766 130 G HN 0.466 nan 8.290 nan 0.000 0.552 131 R N -0.114 120.488 120.500 0.170 0.000 2.100 131 R HA 0.064 4.405 4.340 0.000 0.000 0.220 131 R C 2.378 178.785 176.300 0.178 0.000 1.091 131 R CA 1.100 57.282 56.100 0.136 0.000 0.986 131 R CB -0.175 30.220 30.300 0.159 0.000 0.888 131 R HN 0.409 nan 8.270 nan 0.000 0.444 132 E N 0.941 121.267 120.200 0.210 0.000 2.077 132 E HA -0.204 4.146 4.350 0.000 0.000 0.193 132 E C 1.548 178.234 176.600 0.143 0.000 0.989 132 E CA 1.258 57.762 56.400 0.174 0.000 0.800 132 E CB -0.310 29.446 29.700 0.094 0.000 0.746 132 E HN 0.259 nan 8.360 nan 0.000 0.452 133 F N 0.601 120.509 119.950 -0.069 0.000 2.134 133 F HA 0.033 4.560 4.527 0.000 0.000 0.299 133 F C 2.076 177.847 175.800 -0.049 0.000 1.097 133 F CA 1.920 59.828 58.000 -0.155 0.000 1.264 133 F CB -0.705 38.110 39.000 -0.308 0.000 1.001 133 F HN 0.161 nan 8.300 nan 0.000 0.479 134 G N 0.028 108.909 108.800 0.135 0.000 2.476 134 G HA2 -0.392 3.568 3.960 0.000 0.000 0.218 134 G HA3 -0.392 3.568 3.960 0.000 0.000 0.218 134 G C 1.670 176.555 174.900 -0.025 0.000 1.164 134 G CA 1.045 46.175 45.100 0.050 0.000 0.768 134 G HN 0.468 nan 8.290 nan 0.000 0.560 135 F N 1.009 120.906 119.950 -0.088 0.000 2.095 135 F HA -0.084 4.443 4.527 0.000 0.000 0.298 135 F C 2.252 177.962 175.800 -0.149 0.000 1.104 135 F CA 1.517 59.464 58.000 -0.088 0.000 1.232 135 F CB -0.265 38.713 39.000 -0.037 0.000 0.987 135 F HN 0.130 nan 8.300 nan 0.000 0.475 136 I N 0.799 121.203 120.570 -0.276 0.000 2.315 136 I HA -0.037 4.133 4.170 0.000 0.000 0.248 136 I C 2.580 178.395 176.117 -0.504 0.000 1.117 136 I CA 1.634 62.688 61.300 -0.409 0.000 1.404 136 I CB -1.313 36.562 38.000 -0.208 0.000 1.071 136 I HN 0.215 nan 8.210 nan 0.000 0.419 137 G N -0.049 108.412 108.800 -0.564 0.000 2.446 137 G HA2 -0.292 3.668 3.960 0.000 0.000 0.217 137 G HA3 -0.292 3.668 3.960 0.000 0.000 0.217 137 G C 1.743 176.314 174.900 -0.549 0.000 1.168 137 G CA 0.859 45.499 45.100 -0.766 0.000 0.771 137 G HN 0.563 nan 8.290 nan 0.000 0.551 138 A N 0.565 123.122 122.820 -0.439 0.000 1.930 138 A HA 0.063 4.383 4.320 0.000 0.000 0.217 138 A C 2.329 179.683 177.584 -0.384 0.000 1.175 138 A CA 2.055 53.888 52.037 -0.340 0.000 0.627 138 A CB -0.360 18.491 19.000 -0.248 0.000 0.815 138 A HN 0.335 nan 8.150 nan 0.000 0.443 139 R N 0.040 120.178 120.500 -0.603 0.000 2.066 139 R HA 0.037 4.378 4.340 0.000 0.000 0.232 139 R C 1.797 177.892 176.300 -0.341 0.000 1.131 139 R CA 2.111 57.869 56.100 -0.571 0.000 0.955 139 R CB -0.613 29.089 30.300 -0.997 0.000 0.851 139 R HN 0.498 nan 8.270 nan 0.000 0.432 140 M N 0.116 119.515 119.600 -0.335 0.000 2.659 140 M HA 0.116 4.596 4.480 0.000 0.000 0.243 140 M C 0.036 176.214 176.300 -0.203 0.000 1.111 140 M CA 0.489 55.653 55.300 -0.226 0.000 1.070 140 M CB 0.132 32.608 32.600 -0.207 0.000 1.525 140 M HN 0.038 nan 8.290 nan 0.000 0.517 141 R N 1.654 122.016 120.500 -0.231 0.000 3.333 141 R HA -0.156 4.184 4.340 0.000 0.000 0.256 141 R C -0.686 175.512 176.300 -0.169 0.000 1.010 141 R CA 0.479 56.474 56.100 -0.176 0.000 0.680 141 R CB -1.484 28.748 30.300 -0.113 0.000 1.102 141 R HN 0.525 nan 8.270 nan 0.000 0.440 142 Q N -0.555 119.083 119.800 -0.270 0.000 2.205 142 Q HA 0.280 4.620 4.340 0.000 0.000 0.249 142 Q C 1.318 177.185 176.000 -0.221 0.000 0.948 142 Q CA 0.432 56.083 55.803 -0.254 0.000 0.895 142 Q CB 1.208 29.712 28.738 -0.390 0.000 1.249 142 Q HN 0.490 nan 8.270 nan 0.000 0.458 143 Q N 0.738 120.511 119.800 -0.046 0.000 2.482 143 Q HA -0.038 4.302 4.340 0.000 0.000 0.209 143 Q C -0.006 176.079 176.000 0.141 0.000 0.961 143 Q CA 0.647 56.473 55.803 0.039 0.000 0.945 143 Q CB -0.869 27.909 28.738 0.066 0.000 1.012 143 Q HN 0.686 nan 8.270 nan 0.000 0.515 144 H N 0.719 119.804 119.070 0.026 0.000 3.073 144 H HA 0.091 4.647 4.556 0.000 0.000 0.232 144 H C 0.831 176.181 175.328 0.036 0.000 0.741 144 H CA -0.378 55.695 56.048 0.042 0.000 1.472 144 H CB 0.015 29.786 29.762 0.016 0.000 1.361 144 H HN 0.753 nan 8.280 nan 0.000 0.466 145 A N 3.991 126.900 122.820 0.148 0.000 2.346 145 A HA 0.459 4.779 4.320 0.000 0.000 0.252 145 A C 0.106 177.668 177.584 -0.037 0.000 1.089 145 A CA -0.453 51.612 52.037 0.046 0.000 0.797 145 A CB 0.777 19.780 19.000 0.005 0.000 1.047 145 A HN 0.447 nan 8.150 nan 0.000 0.494 146 V N 0.456 120.355 119.914 -0.024 0.000 2.808 146 V HA 0.547 4.668 4.120 0.000 0.000 0.308 146 V C -0.775 175.327 176.094 0.014 0.000 1.099 146 V CA -0.581 61.713 62.300 -0.010 0.000 0.920 146 V CB 1.633 33.467 31.823 0.019 0.000 1.014 146 V HN 0.696 nan 8.190 nan 0.000 0.425 147 V N 2.260 122.212 119.914 0.065 0.000 2.577 147 V HA 0.584 4.705 4.120 0.000 0.000 0.303 147 V C -0.080 176.178 176.094 0.274 0.000 1.042 147 V CA -0.277 62.102 62.300 0.130 0.000 0.872 147 V CB 2.370 34.224 31.823 0.052 0.000 0.998 147 V HN 0.975 nan 8.190 nan 0.000 0.423 148 T N 3.284 117.966 114.554 0.213 0.000 2.794 148 T HA 0.842 5.192 4.350 0.000 0.000 0.280 148 T C 0.181 174.992 174.700 0.185 0.000 0.987 148 T CA -0.127 62.102 62.100 0.215 0.000 0.993 148 T CB 1.526 70.510 68.868 0.193 0.000 0.939 148 T HN 1.276 nan 8.240 nan 0.000 0.449 149 G N 1.181 110.064 108.800 0.139 0.000 2.361 149 G HA2 0.250 4.210 3.960 0.000 0.000 0.299 149 G HA3 0.250 4.210 3.960 0.000 0.000 0.299 149 G C -1.432 173.483 174.900 0.024 0.000 1.544 149 G CA -0.991 44.173 45.100 0.106 0.000 0.860 149 G HN 0.847 nan 8.290 nan 0.000 0.610 150 H N 0.895 119.908 119.070 -0.096 0.000 2.871 150 H HA 0.044 4.600 4.556 0.000 0.000 0.355 150 H C 1.427 176.702 175.328 -0.088 0.000 1.092 150 H CA 0.612 56.551 56.048 -0.183 0.000 1.420 150 H CB 0.621 30.226 29.762 -0.263 0.000 1.400 150 H HN 0.737 nan 8.280 nan 0.000 0.604 151 W N 4.357 125.203 121.300 -0.757 0.000 2.611 151 W HA -0.051 4.609 4.660 0.000 0.000 0.251 151 W C 0.257 176.749 176.519 -0.044 0.000 1.265 151 W CA 0.089 57.287 57.345 -0.246 0.000 1.295 151 W CB -0.200 29.038 29.460 -0.370 0.000 1.129 151 W HN 0.618 nan 8.180 nan 0.000 0.630 152 Q N 0.587 119.903 119.800 -0.806 0.000 2.319 152 Q HA -0.021 4.319 4.340 0.000 0.000 0.202 152 Q C -0.016 175.773 176.000 -0.352 0.000 0.896 152 Q CA -0.039 55.482 55.803 -0.470 0.000 0.942 152 Q CB 0.034 28.384 28.738 -0.648 0.000 1.083 152 Q HN -0.025 nan 8.270 nan 0.000 0.510 153 D N 1.114 121.340 120.400 -0.290 0.000 2.382 153 D HA 0.015 4.655 4.640 0.000 0.000 0.259 153 D C 0.990 176.959 176.300 -0.552 0.000 1.224 153 D CA 0.398 54.236 54.000 -0.270 0.000 0.894 153 D CB 1.082 41.820 40.800 -0.103 0.000 1.127 153 D HN 0.117 nan 8.370 nan 0.000 0.487 154 K N 2.919 123.045 120.400 -0.458 0.000 2.283 154 K HA -0.105 4.215 4.320 0.000 0.000 0.202 154 K C 2.057 178.532 176.600 -0.209 0.000 1.048 154 K CA 2.042 58.071 56.287 -0.430 0.000 0.948 154 K CB -1.174 31.226 32.500 -0.167 0.000 0.742 154 K HN 0.645 nan 8.250 nan 0.000 0.458 155 Q N -0.255 119.460 119.800 -0.141 0.000 2.137 155 Q HA 0.414 4.754 4.340 0.000 0.000 0.198 155 Q C 2.656 178.640 176.000 -0.027 0.000 0.960 155 Q CA 1.579 57.352 55.803 -0.051 0.000 0.847 155 Q CB -0.769 27.953 28.738 -0.027 0.000 0.915 155 Q HN 0.884 nan 8.270 nan 0.000 0.448 156 A N 0.656 123.447 122.820 -0.049 0.000 1.902 156 A HA -0.219 4.101 4.320 0.000 0.000 0.217 156 A C 2.020 179.613 177.584 0.014 0.000 1.181 156 A CA 1.680 53.719 52.037 0.004 0.000 0.623 156 A CB -0.877 18.187 19.000 0.107 0.000 0.818 156 A HN 0.851 nan 8.150 nan 0.000 0.443 157 H N -1.063 117.974 119.070 -0.055 0.000 2.319 157 H HA -0.111 4.445 4.556 0.000 0.000 0.297 157 H C 2.605 177.917 175.328 -0.025 0.000 1.097 157 H CA 1.545 57.560 56.048 -0.055 0.000 1.285 157 H CB -0.059 29.695 29.762 -0.013 0.000 1.368 157 H HN 0.676 nan 8.280 nan 0.000 0.495 158 E N 2.185 122.460 120.200 0.124 0.000 2.038 158 E HA -0.220 4.130 4.350 0.000 0.000 0.195 158 E C 2.099 178.744 176.600 0.076 0.000 1.000 158 E CA 1.579 58.028 56.400 0.082 0.000 0.803 158 E CB -0.610 29.121 29.700 0.053 0.000 0.750 158 E HN 0.552 nan 8.360 nan 0.000 0.448 159 R N -0.624 119.912 120.500 0.059 0.000 2.092 159 R HA 0.136 4.477 4.340 0.000 0.000 0.231 159 R C 2.641 178.991 176.300 0.082 0.000 1.119 159 R CA 1.312 57.453 56.100 0.067 0.000 0.970 159 R CB -0.352 29.977 30.300 0.049 0.000 0.864 159 R HN 0.466 nan 8.270 nan 0.000 0.440 160 I N 0.014 120.596 120.570 0.019 0.000 2.252 160 I HA -0.148 4.023 4.170 0.000 0.000 0.245 160 I C 2.572 178.788 176.117 0.165 0.000 1.102 160 I CA 1.340 62.645 61.300 0.009 0.000 1.385 160 I CB -0.719 37.161 38.000 -0.199 0.000 1.064 160 I HN 0.284 nan 8.210 nan 0.000 0.414 161 G N -0.059 108.815 108.800 0.124 0.000 2.476 161 G HA2 -0.351 3.609 3.960 0.000 0.000 0.218 161 G HA3 -0.351 3.609 3.960 0.000 0.000 0.218 161 G C 1.779 176.785 174.900 0.175 0.000 1.164 161 G CA 1.246 46.434 45.100 0.147 0.000 0.768 161 G HN 0.379 nan 8.290 nan 0.000 0.560 162 S N -0.514 115.281 115.700 0.159 0.000 2.374 162 S HA -0.195 4.275 4.470 0.000 0.000 0.227 162 S C 1.948 176.658 174.600 0.184 0.000 1.037 162 S CA 1.815 60.107 58.200 0.152 0.000 1.024 162 S CB -0.423 62.856 63.200 0.133 0.000 0.861 162 S HN 0.638 nan 8.310 nan 0.000 0.456 163 W N 1.549 122.873 121.300 0.040 0.000 2.355 163 W HA -0.103 4.558 4.660 0.000 0.000 0.309 163 W C 2.128 178.661 176.519 0.024 0.000 1.206 163 W CA 1.696 59.059 57.345 0.029 0.000 1.284 163 W CB -0.381 29.089 29.460 0.015 0.000 1.145 163 W HN 0.264 nan 8.180 nan 0.000 0.502 164 M N 0.445 120.146 119.600 0.168 0.000 2.144 164 M HA -0.257 4.223 4.480 0.000 0.000 0.260 164 M C 2.176 178.378 176.300 -0.164 0.000 1.067 164 M CA 1.972 57.231 55.300 -0.067 0.000 1.095 164 M CB -0.708 32.012 32.600 0.200 0.000 1.365 164 M HN 0.014 nan 8.290 nan 0.000 0.406 165 R N 0.001 120.510 120.500 0.015 0.000 2.096 165 R HA -0.178 4.162 4.340 0.000 0.000 0.240 165 R C 2.310 178.546 176.300 -0.108 0.000 1.139 165 R CA 1.361 57.508 56.100 0.078 0.000 0.952 165 R CB -0.401 29.995 30.300 0.160 0.000 0.854 165 R HN 0.468 nan 8.270 nan 0.000 0.436 166 Q N -0.069 119.627 119.800 -0.173 0.000 2.123 166 Q HA -0.021 4.319 4.340 0.000 0.000 0.199 166 Q C 2.166 177.927 176.000 -0.398 0.000 0.966 166 Q CA 1.446 57.126 55.803 -0.204 0.000 0.845 166 Q CB -0.314 28.314 28.738 -0.183 0.000 0.907 166 Q HN 0.338 nan 8.270 nan 0.000 0.439 167 A N 0.747 123.176 122.820 -0.652 0.000 1.865 167 A HA -0.157 4.164 4.320 0.000 0.000 0.217 167 A C 2.461 179.705 177.584 -0.567 0.000 1.191 167 A CA 1.883 53.494 52.037 -0.710 0.000 0.623 167 A CB -0.892 17.516 19.000 -0.987 0.000 0.826 167 A HN 0.203 nan 8.150 nan 0.000 0.444 168 V N -0.306 119.251 119.914 -0.594 0.000 2.407 168 V HA -0.225 3.895 4.120 0.000 0.000 0.248 168 V C 2.808 178.499 176.094 -0.671 0.000 1.055 168 V CA 2.304 64.117 62.300 -0.811 0.000 1.049 168 V CB -0.842 30.371 31.823 -1.017 0.000 0.662 168 V HN 0.682 nan 8.190 nan 0.000 0.455 169 S N -0.513 114.935 115.700 -0.419 0.000 2.353 169 S HA -0.307 4.164 4.470 0.000 0.000 0.222 169 S C 2.186 176.695 174.600 -0.151 0.000 1.035 169 S CA 2.250 60.332 58.200 -0.197 0.000 1.025 169 S CB -0.320 62.874 63.200 -0.011 0.000 0.902 169 S HN 0.595 nan 8.310 nan 0.000 0.440 170 K N -0.068 120.222 120.400 -0.184 0.000 2.063 170 K HA -0.154 4.166 4.320 0.000 0.000 0.208 170 K C 2.343 178.827 176.600 -0.194 0.000 1.048 170 K CA 1.544 57.754 56.287 -0.128 0.000 0.928 170 K CB -0.201 32.135 32.500 -0.273 0.000 0.713 170 K HN 0.318 nan 8.250 nan 0.000 0.442 171 Q N 0.979 120.567 119.800 -0.354 0.000 2.020 171 Q HA -0.183 4.158 4.340 0.000 0.000 0.202 171 Q C 1.798 177.557 176.000 -0.401 0.000 0.982 171 Q CA 1.801 57.371 55.803 -0.388 0.000 0.838 171 Q CB -0.655 27.778 28.738 -0.510 0.000 0.899 171 Q HN 0.441 nan 8.270 nan 0.000 0.423 172 D N -0.284 119.908 120.400 -0.347 0.000 2.123 172 D HA -0.128 4.512 4.640 0.000 0.000 0.196 172 D C 1.428 177.626 176.300 -0.170 0.000 0.992 172 D CA 1.779 55.672 54.000 -0.179 0.000 0.833 172 D CB 0.077 40.806 40.800 -0.118 0.000 0.954 172 D HN 0.221 nan 8.370 nan 0.000 0.455 173 T N -0.649 113.838 114.554 -0.111 0.000 2.962 173 T HA -0.110 4.240 4.350 0.000 0.000 0.270 173 T C 1.841 176.547 174.700 0.010 0.000 1.088 173 T CA 0.702 62.802 62.100 -0.000 0.000 1.127 173 T CB -0.163 68.776 68.868 0.118 0.000 0.883 173 T HN 0.021 nan 8.240 nan 0.000 0.493 174 R N 0.866 121.285 120.500 -0.135 0.000 2.120 174 R HA -0.049 4.291 4.340 0.000 0.000 0.234 174 R C 1.446 177.745 176.300 -0.001 0.000 1.123 174 R CA 1.223 57.245 56.100 -0.129 0.000 0.975 174 R CB -0.337 29.799 30.300 -0.274 0.000 0.866 174 R HN 0.461 nan 8.270 nan 0.000 0.446 175 H N -1.322 117.742 119.070 -0.010 0.000 2.586 175 H HA 0.189 4.745 4.556 0.000 0.000 0.273 175 H C -0.186 175.047 175.328 -0.157 0.000 0.997 175 H CA -0.503 55.522 56.048 -0.039 0.000 1.177 175 H CB -0.279 29.476 29.762 -0.013 0.000 1.471 175 H HN 0.086 nan 8.280 nan 0.000 0.538 176 L N 1.999 123.177 121.223 -0.075 0.000 2.410 176 L HA 0.356 4.696 4.340 0.000 0.000 0.273 176 L C 0.383 177.293 176.870 0.067 0.000 1.144 176 L CA -0.015 54.696 54.840 -0.216 0.000 0.863 176 L CB 0.068 42.072 42.059 -0.093 0.000 1.140 176 L HN 0.173 nan 8.230 nan 0.000 0.463 177 K N 4.864 125.377 120.400 0.189 0.000 2.376 177 K HA 0.674 4.995 4.320 0.000 0.000 0.257 177 K C -1.236 175.614 176.600 0.418 0.000 0.939 177 K CA -0.543 55.956 56.287 0.352 0.000 0.809 177 K CB 1.592 34.337 32.500 0.408 0.000 1.121 177 K HN 0.420 nan 8.250 nan 0.000 0.425 178 V N 1.118 121.178 119.914 0.243 0.000 2.483 178 V HA 0.499 4.620 4.120 0.000 0.000 0.295 178 V C 0.026 176.023 176.094 -0.161 0.000 1.035 178 V CA -1.200 61.151 62.300 0.085 0.000 0.896 178 V CB 1.283 33.126 31.823 0.033 0.000 0.986 178 V HN 0.993 nan 8.190 nan 0.000 0.447 179 C N 5.692 124.751 119.300 -0.402 0.000 2.281 179 C HA 0.845 5.305 4.460 0.000 0.000 0.323 179 C C 0.545 175.353 174.990 -0.304 0.000 1.270 179 C CA -0.355 58.191 59.018 -0.786 0.000 1.559 179 C CB 0.123 26.968 27.740 -1.491 0.000 2.239 179 C HN 1.096 nan 8.230 nan 0.000 0.488 180 R N 3.088 123.448 120.500 -0.234 0.000 2.294 180 R HA 0.736 5.076 4.340 0.000 0.000 0.319 180 R C -0.348 175.932 176.300 -0.033 0.000 0.984 180 R CA 0.042 56.094 56.100 -0.080 0.000 0.861 180 R CB 0.187 30.462 30.300 -0.042 0.000 1.104 180 R HN 1.626 nan 8.270 nan 0.000 0.451 181 F N 1.319 121.267 119.950 -0.004 0.000 2.351 181 F HA 0.687 5.214 4.527 0.000 0.000 0.362 181 F C 1.194 177.010 175.800 0.026 0.000 1.131 181 F CA -0.669 57.334 58.000 0.006 0.000 1.187 181 F CB -0.077 38.905 39.000 -0.031 0.000 1.434 181 F HN 1.665 nan 8.300 nan 0.000 0.553 182 G N 0.610 109.435 108.800 0.042 0.000 2.661 182 G HA2 0.484 4.444 3.960 0.000 0.000 0.685 182 G HA3 0.484 4.444 3.960 0.000 0.000 0.685 182 G C -0.771 174.149 174.900 0.035 0.000 1.298 182 G CA 0.067 45.189 45.100 0.037 0.000 0.855 182 G HN 2.151 nan 8.290 nan 0.000 0.560 183 D N -0.942 119.476 120.400 0.031 0.000 2.437 183 D HA 0.902 5.542 4.640 0.000 0.000 0.259 183 D C 1.036 177.355 176.300 0.031 0.000 1.118 183 D CA 0.931 54.957 54.000 0.044 0.000 1.017 183 D CB 0.239 41.066 40.800 0.045 0.000 1.120 183 D HN 1.955 nan 8.370 nan 0.000 0.541 184 N N -0.164 118.574 118.700 0.064 0.000 2.374 184 N HA 0.354 5.094 4.740 0.000 0.000 0.241 184 N C 0.635 176.144 175.510 -0.001 0.000 1.262 184 N CA 0.247 53.327 53.050 0.049 0.000 0.880 184 N CB 0.089 38.629 38.487 0.089 0.000 1.105 184 N HN 0.778 nan 8.380 nan 0.000 0.438 185 M N 1.430 121.016 119.600 -0.024 0.000 2.250 185 M HA 0.226 4.706 4.480 0.000 0.000 0.337 185 M C 1.316 177.606 176.300 -0.017 0.000 1.161 185 M CA -0.203 55.052 55.300 -0.075 0.000 1.088 185 M CB 0.093 32.668 32.600 -0.041 0.000 1.639 185 M HN 0.929 nan 8.290 nan 0.000 0.447 186 R N 3.687 124.171 120.500 -0.026 0.000 2.538 186 R HA 0.046 4.386 4.340 0.000 0.000 0.282 186 R C 0.615 176.928 176.300 0.022 0.000 1.009 186 R CA 0.817 56.920 56.100 0.005 0.000 1.063 186 R CB -0.869 29.435 30.300 0.006 0.000 0.945 186 R HN 0.909 nan 8.270 nan 0.000 0.414 187 E N -1.015 119.200 120.200 0.025 0.000 3.286 187 E HA -0.152 4.198 4.350 0.000 0.000 0.292 187 E C -0.635 175.978 176.600 0.023 0.000 0.928 187 E CA 1.081 57.496 56.400 0.024 0.000 0.982 187 E CB -2.180 27.533 29.700 0.022 0.000 1.500 187 E HN 0.509 nan 8.360 nan 0.000 0.441 188 V N 0.350 120.281 119.914 0.030 0.000 2.465 188 V HA 0.370 4.490 4.120 0.000 0.000 0.279 188 V C 1.334 177.444 176.094 0.028 0.000 1.045 188 V CA 0.759 63.076 62.300 0.029 0.000 0.938 188 V CB 1.492 33.349 31.823 0.057 0.000 0.986 188 V HN 0.326 nan 8.190 nan 0.000 0.467 189 A N 4.909 127.736 122.820 0.013 0.000 1.887 189 A HA 0.208 4.528 4.320 0.000 0.000 0.212 189 A C 2.127 179.718 177.584 0.013 0.000 1.198 189 A CA 1.355 53.400 52.037 0.013 0.000 0.628 189 A CB -0.817 18.184 19.000 0.002 0.000 0.847 189 A HN 1.037 nan 8.150 nan 0.000 0.449 190 V N -0.085 119.840 119.914 0.018 0.000 2.218 190 V HA -0.269 3.851 4.120 0.000 0.000 0.251 190 V C 2.774 178.857 176.094 -0.019 0.000 1.057 190 V CA 4.240 66.559 62.300 0.032 0.000 1.022 190 V CB -1.917 nan 31.823 nan 0.000 0.645 190 V HN 0.606 nan 8.190 nan 0.000 0.451 191 T N -0.954 113.598 114.554 -0.002 0.000 3.051 191 T HA 0.044 4.394 4.350 0.000 0.000 0.269 191 T C 1.065 175.672 174.700 -0.154 0.000 1.127 191 T CA 0.934 62.966 62.100 -0.113 0.000 1.107 191 T CB -0.349 nan 68.868 nan 0.000 0.898 191 T HN 0.669 nan 8.240 nan 0.000 0.517 192 D N 0.321 120.712 120.400 -0.014 0.000 2.313 192 D HA 0.559 5.199 4.640 0.000 0.000 0.247 192 D C 0.439 176.807 176.300 0.113 0.000 1.094 192 D CA 0.838 54.897 54.000 0.099 0.000 0.925 192 D CB 1.287 42.143 40.800 0.093 0.000 1.188 192 D HN 0.456 nan 8.370 nan 0.000 0.430 193 G N 1.245 110.235 108.800 0.318 0.000 2.315 193 G HA2 0.072 4.032 3.960 0.000 0.000 0.294 193 G HA3 0.072 4.032 3.960 0.000 0.000 0.294 193 G C -1.514 173.673 174.900 0.478 0.000 1.300 193 G CA -0.733 44.578 45.100 0.351 0.000 0.843 193 G HN 0.422 nan 8.290 nan 0.000 0.527 194 D N 0.605 121.220 120.400 0.357 0.000 2.339 194 D HA 0.466 5.107 4.640 0.000 0.000 0.241 194 D C 1.434 177.856 176.300 0.203 0.000 1.183 194 D CA 0.485 54.617 54.000 0.220 0.000 0.859 194 D CB 1.451 42.326 40.800 0.125 0.000 1.067 194 D HN 0.691 nan 8.370 nan 0.000 0.484 195 K N 3.281 123.631 120.400 -0.084 0.000 2.288 195 K HA -0.036 4.284 4.320 0.000 0.000 0.201 195 K C 1.946 178.414 176.600 -0.219 0.000 1.048 195 K CA 1.331 57.346 56.287 -0.454 0.000 0.956 195 K CB -1.182 30.914 32.500 -0.674 0.000 0.746 195 K HN 0.501 nan 8.250 nan 0.000 0.461 196 V N 0.382 120.240 119.914 -0.093 0.000 2.323 196 V HA 0.198 4.318 4.120 0.000 0.000 0.244 196 V C 2.781 178.866 176.094 -0.016 0.000 1.041 196 V CA 2.482 64.747 62.300 -0.059 0.000 1.025 196 V CB -1.260 nan 31.823 nan 0.000 0.656 196 V HN 0.538 nan 8.190 nan 0.000 0.451 197 A N 0.262 123.115 122.820 0.055 0.000 1.958 197 A HA -0.054 4.266 4.320 0.000 0.000 0.221 197 A C 2.592 180.293 177.584 0.195 0.000 1.178 197 A CA 3.042 55.154 52.037 0.126 0.000 0.642 197 A CB -0.874 18.226 19.000 0.167 0.000 0.816 197 A HN 1.327 nan 8.150 nan 0.000 0.453 198 A N -1.206 121.736 122.820 0.204 0.000 1.873 198 A HA -0.190 4.130 4.320 0.000 0.000 0.215 198 A C 2.208 179.643 177.584 -0.249 0.000 1.186 198 A CA 1.760 53.852 52.037 0.090 0.000 0.616 198 A CB -0.598 18.427 19.000 0.042 0.000 0.823 198 A HN 0.649 nan 8.150 nan 0.000 0.442 199 Q N -0.424 119.203 119.800 -0.289 0.000 2.084 199 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 199 Q C 1.969 177.879 176.000 -0.150 0.000 0.978 199 Q CA 1.639 57.282 55.803 -0.267 0.000 0.844 199 Q CB -0.256 28.375 28.738 -0.177 0.000 0.898 199 Q HN 0.720 nan 8.270 nan 0.000 0.426 200 I N 0.397 120.908 120.570 -0.097 0.000 2.127 200 I HA -0.304 3.867 4.170 0.000 0.000 0.241 200 I C 2.455 178.501 176.117 -0.119 0.000 1.075 200 I CA 1.358 62.612 61.300 -0.077 0.000 1.334 200 I CB -0.223 37.751 38.000 -0.044 0.000 1.040 200 I HN 0.127 nan 8.210 nan 0.000 0.405 201 K N 0.785 121.089 120.400 -0.160 0.000 2.001 201 K HA -0.107 4.213 4.320 0.000 0.000 0.208 201 K C 1.690 177.976 176.600 -0.523 0.000 1.048 201 K CA 2.007 58.068 56.287 -0.377 0.000 0.932 201 K CB -0.200 31.984 32.500 -0.526 0.000 0.715 201 K HN 0.181 nan 8.250 nan 0.000 0.437 202 F N -2.101 117.705 119.950 -0.240 0.000 2.622 202 F HA 0.297 4.825 4.527 0.000 0.000 0.288 202 F C 1.530 177.236 175.800 -0.158 0.000 1.120 202 F CA 0.405 58.270 58.000 -0.226 0.000 1.423 202 F CB 0.709 39.543 39.000 -0.278 0.000 1.127 202 F HN 0.267 nan 8.300 nan 0.000 0.588 203 G N 0.805 109.564 108.800 -0.068 0.000 2.175 203 G HA2 -0.288 3.672 3.960 0.000 0.000 0.244 203 G HA3 -0.288 3.672 3.960 0.000 0.000 0.244 203 G C 0.281 175.187 174.900 0.010 0.000 0.982 203 G CA 0.014 45.092 45.100 -0.037 0.000 0.641 203 G HN 0.377 nan 8.290 nan 0.000 0.527 204 F N 1.122 121.107 119.950 0.059 0.000 2.375 204 F HA 0.828 5.355 4.527 0.000 0.000 0.333 204 F C 0.336 176.140 175.800 0.007 0.000 1.104 204 F CA -0.621 57.391 58.000 0.020 0.000 1.149 204 F CB 1.553 40.551 39.000 -0.003 0.000 1.190 204 F HN 0.119 nan 8.300 nan 0.000 0.533 205 S N 2.152 118.010 115.700 0.264 0.000 2.472 205 S HA 0.784 5.254 4.470 0.000 0.000 0.303 205 S C -0.666 174.011 174.600 0.128 0.000 1.099 205 S CA -0.397 57.869 58.200 0.111 0.000 1.077 205 S CB 0.976 64.219 63.200 0.072 0.000 1.031 205 S HN 1.150 nan 8.310 nan 0.000 0.487 206 V N 3.689 123.580 119.914 -0.038 0.000 2.444 206 V HA 0.778 4.898 4.120 0.000 0.000 0.294 206 V C -0.686 175.284 176.094 -0.206 0.000 1.022 206 V CA -0.873 61.337 62.300 -0.151 0.000 0.850 206 V CB 1.612 nan 31.823 nan 0.000 0.992 206 V HN 0.913 nan 8.190 nan 0.000 0.426 207 N N 1.932 120.501 118.700 -0.219 0.000 2.369 207 N HA 0.622 5.363 4.740 0.000 0.000 0.287 207 N C -0.832 174.491 175.510 -0.313 0.000 1.067 207 N CA -0.460 52.440 53.050 -0.251 0.000 0.888 207 N CB 2.231 40.546 38.487 -0.285 0.000 1.616 207 N HN 0.638 nan 8.380 nan 0.000 0.482 208 T N 1.326 115.806 114.554 -0.123 0.000 2.749 208 T HA 0.214 4.564 4.350 0.000 0.000 0.295 208 T C -0.455 174.435 174.700 0.317 0.000 0.936 208 T CA -0.054 62.054 62.100 0.012 0.000 1.060 208 T CB 0.185 69.094 68.868 0.069 0.000 0.904 208 T HN 0.201 nan 8.240 nan 0.000 0.500 209 W N 1.587 122.915 121.300 0.047 0.000 2.438 209 W HA 0.575 5.235 4.660 0.000 0.000 0.324 209 W C 0.594 177.137 176.519 0.041 0.000 1.119 209 W CA -1.442 55.964 57.345 0.102 0.000 1.221 209 W CB 0.904 30.519 29.460 0.259 0.000 1.253 209 W HN 0.630 nan 8.180 nan 0.000 0.555 210 A N 1.526 124.506 122.820 0.267 0.000 2.425 210 A HA 0.163 4.483 4.320 0.000 0.000 0.242 210 A C 0.773 178.399 177.584 0.070 0.000 1.077 210 A CA -0.370 51.741 52.037 0.123 0.000 0.781 210 A CB 0.680 19.720 19.000 0.066 0.000 1.020 210 A HN 0.644 nan 8.150 nan 0.000 0.494 211 V N 2.813 122.750 119.914 0.039 0.000 2.490 211 V HA -0.189 3.931 4.120 0.000 0.000 0.250 211 V C 2.687 178.778 176.094 -0.004 0.000 1.061 211 V CA 2.481 64.782 62.300 0.001 0.000 1.064 211 V CB -1.279 30.565 31.823 0.035 0.000 0.670 211 V HN 1.093 nan 8.190 nan 0.000 0.461 212 G N -0.164 108.648 108.800 0.019 0.000 2.450 212 G HA2 -0.262 3.698 3.960 0.000 0.000 0.220 212 G HA3 -0.262 3.698 3.960 0.000 0.000 0.220 212 G C 1.139 176.050 174.900 0.019 0.000 1.130 212 G CA 1.121 46.231 45.100 0.017 0.000 0.760 212 G HN 0.534 nan 8.290 nan 0.000 0.557 213 D N -0.135 120.284 120.400 0.033 0.000 2.149 213 D HA -0.057 4.583 4.640 0.000 0.000 0.201 213 D C 2.284 178.657 176.300 0.122 0.000 0.972 213 D CA 0.355 54.419 54.000 0.106 0.000 0.835 213 D CB -0.279 40.623 40.800 0.171 0.000 0.966 213 D HN 0.277 nan 8.370 nan 0.000 0.476 214 L N 0.368 121.508 121.223 -0.139 0.000 2.109 214 L HA -0.062 4.278 4.340 0.000 0.000 0.207 214 L C 1.959 178.769 176.870 -0.100 0.000 1.086 214 L CA 1.212 55.849 54.840 -0.339 0.000 0.760 214 L CB -0.337 41.431 42.059 -0.485 0.000 0.910 214 L HN -0.119 nan 8.230 nan 0.000 0.437 215 V N -0.171 119.713 119.914 -0.050 0.000 2.490 215 V HA -0.305 3.816 4.120 0.000 0.000 0.250 215 V C 2.608 178.709 176.094 0.013 0.000 1.061 215 V CA 1.941 64.233 62.300 -0.013 0.000 1.064 215 V CB -0.630 31.196 31.823 0.004 0.000 0.670 215 V HN 0.641 nan 8.190 nan 0.000 0.461 216 Q N -0.258 119.562 119.800 0.032 0.000 2.050 216 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 216 Q C 2.284 178.317 176.000 0.056 0.000 0.980 216 Q CA 2.192 58.021 55.803 0.044 0.000 0.840 216 Q CB -0.046 28.724 28.738 0.053 0.000 0.898 216 Q HN 0.535 nan 8.270 nan 0.000 0.424 217 V N 0.151 120.123 119.914 0.096 0.000 2.358 217 V HA -0.224 3.896 4.120 0.000 0.000 0.246 217 V C 2.389 178.518 176.094 0.059 0.000 1.047 217 V CA 1.329 63.695 62.300 0.110 0.000 1.035 217 V CB -0.451 31.515 31.823 0.238 0.000 0.658 217 V HN 0.225 nan 8.190 nan 0.000 0.452 218 V N 1.101 121.034 119.914 0.031 0.000 2.287 218 V HA -0.308 3.812 4.120 0.000 0.000 0.248 218 V C 2.720 178.819 176.094 0.010 0.000 1.053 218 V CA 2.646 64.950 62.300 0.006 0.000 1.027 218 V CB -1.549 30.265 31.823 -0.015 0.000 0.646 218 V HN 0.809 nan 8.190 nan 0.000 0.447 219 N N -0.085 118.622 118.700 0.013 0.000 2.459 219 N HA -0.146 4.594 4.740 0.000 0.000 0.181 219 N C 1.768 177.285 175.510 0.013 0.000 1.046 219 N CA 1.464 54.521 53.050 0.011 0.000 0.904 219 N CB -0.368 38.127 38.487 0.012 0.000 0.964 219 N HN 0.745 nan 8.380 nan 0.000 0.444 220 S N -0.973 114.738 115.700 0.018 0.000 2.556 220 S HA 0.314 4.784 4.470 0.000 0.000 0.216 220 S C 0.394 175.002 174.600 0.014 0.000 0.970 220 S CA -0.423 57.787 58.200 0.017 0.000 0.912 220 S CB -0.387 62.826 63.200 0.022 0.000 0.790 220 S HN 0.490 nan 8.310 nan 0.000 0.504 221 I N 3.780 124.358 120.570 0.013 0.000 2.416 221 I HA 0.166 4.336 4.170 0.000 0.000 0.288 221 I C 0.726 176.846 176.117 0.005 0.000 1.051 221 I CA -0.398 60.908 61.300 0.009 0.000 1.375 221 I CB 1.112 39.117 38.000 0.008 0.000 1.407 221 I HN 0.260 nan 8.210 nan 0.000 0.516 222 S N 3.272 118.974 115.700 0.004 0.000 2.593 222 S HA 0.093 4.563 4.470 0.000 0.000 0.269 222 S C 0.586 175.186 174.600 0.000 0.000 1.334 222 S CA -0.716 57.485 58.200 0.002 0.000 1.015 222 S CB 1.123 64.325 63.200 0.002 0.000 0.912 222 S HN 0.565 nan 8.310 nan 0.000 0.541 223 D N 2.194 122.594 120.400 -0.001 0.000 2.144 223 D HA 0.021 4.661 4.640 0.000 0.000 0.199 223 D C 2.132 178.430 176.300 -0.003 0.000 0.984 223 D CA 1.670 55.668 54.000 -0.003 0.000 0.834 223 D CB -0.946 39.852 40.800 -0.004 0.000 0.955 223 D HN 0.765 nan 8.370 nan 0.000 0.465 224 G N 0.560 109.358 108.800 -0.002 0.000 2.422 224 G HA2 -0.234 3.726 3.960 0.000 0.000 0.218 224 G HA3 -0.234 3.726 3.960 0.000 0.000 0.218 224 G C 1.348 176.247 174.900 -0.001 0.000 1.146 224 G CA 0.671 45.770 45.100 -0.002 0.000 0.769 224 G HN 0.177 nan 8.290 nan 0.000 0.547 225 D N 0.184 120.584 120.400 -0.000 0.000 2.144 225 D HA -0.071 4.570 4.640 0.000 0.000 0.200 225 D C 2.763 179.062 176.300 -0.001 0.000 0.978 225 D CA 0.667 54.667 54.000 0.000 0.000 0.833 225 D CB -0.004 40.797 40.800 0.002 0.000 0.961 225 D HN 0.191 nan 8.370 nan 0.000 0.470 226 V N 2.168 122.081 119.914 -0.002 0.000 2.261 226 V HA -0.233 3.887 4.120 0.000 0.000 0.246 226 V C 2.120 178.211 176.094 -0.005 0.000 1.047 226 V CA 1.463 63.760 62.300 -0.004 0.000 1.015 226 V CB -0.471 31.348 31.823 -0.005 0.000 0.642 226 V HN 0.169 nan 8.190 nan 0.000 0.446 227 N N 0.519 119.215 118.700 -0.006 0.000 2.223 227 N HA -0.131 4.609 4.740 0.000 0.000 0.185 227 N C 1.846 177.353 175.510 -0.004 0.000 1.016 227 N CA 1.577 54.623 53.050 -0.007 0.000 0.863 227 N CB -0.422 38.060 38.487 -0.008 0.000 0.983 227 N HN 0.513 nan 8.380 nan 0.000 0.429 228 A N 0.769 123.587 122.820 -0.002 0.000 1.972 228 A HA -0.081 4.240 4.320 0.000 0.000 0.219 228 A C 2.212 179.797 177.584 0.000 0.000 1.169 228 A CA 0.860 52.897 52.037 -0.001 0.000 0.635 228 A CB -0.418 18.582 19.000 0.001 0.000 0.810 228 A HN 0.220 nan 8.150 nan 0.000 0.446 229 L N -0.630 120.593 121.223 -0.000 0.000 2.209 229 L HA 0.038 4.378 4.340 0.000 0.000 0.207 229 L C 2.192 179.062 176.870 0.000 0.000 1.094 229 L CA 1.236 56.076 54.840 0.001 0.000 0.790 229 L CB -0.117 41.942 42.059 -0.000 0.000 0.932 229 L HN 0.115 nan 8.230 nan 0.000 0.447 230 V N -0.119 119.794 119.914 -0.002 0.000 2.626 230 V HA -0.224 3.896 4.120 0.000 0.000 0.252 230 V C 2.058 178.151 176.094 -0.001 0.000 1.067 230 V CA 1.618 63.917 62.300 -0.002 0.000 1.081 230 V CB -0.820 30.999 31.823 -0.006 0.000 0.686 230 V HN 0.452 nan 8.190 nan 0.000 0.468 231 D N 0.871 121.270 120.400 -0.001 0.000 2.097 231 D HA -0.142 4.499 4.640 0.000 0.000 0.197 231 D C 2.361 178.662 176.300 0.002 0.000 0.984 231 D CA 1.754 55.754 54.000 0.001 0.000 0.826 231 D CB -0.081 40.719 40.800 0.001 0.000 0.973 231 D HN 0.627 nan 8.370 nan 0.000 0.460 232 E N 0.342 120.543 120.200 0.002 0.000 2.204 232 E HA -0.153 4.197 4.350 0.000 0.000 0.194 232 E C 2.235 178.838 176.600 0.004 0.000 0.989 232 E CA 1.301 57.703 56.400 0.003 0.000 0.824 232 E CB -1.794 27.909 29.700 0.004 0.000 0.756 232 E HN 0.670 nan 8.360 nan 0.000 0.477 233 Y N -0.266 120.037 120.300 0.004 0.000 2.220 233 Y HA 0.206 4.756 4.550 0.000 0.000 0.291 233 Y C 2.715 178.619 175.900 0.007 0.000 1.129 233 Y CA 2.433 60.537 58.100 0.006 0.000 1.161 233 Y CB -1.209 37.255 38.460 0.006 0.000 0.997 233 Y HN 0.601 nan 8.280 nan 0.000 0.522 234 E N -0.735 119.468 120.200 0.006 0.000 2.153 234 E HA -0.138 4.212 4.350 0.000 0.000 0.194 234 E C 2.209 178.813 176.600 0.006 0.000 0.988 234 E CA 1.586 57.990 56.400 0.007 0.000 0.811 234 E CB -0.999 28.704 29.700 0.006 0.000 0.746 234 E HN 0.671 nan 8.360 nan 0.000 0.466 235 S N -2.041 113.662 115.700 0.004 0.000 2.524 235 S HA 0.023 4.493 4.470 0.000 0.000 0.216 235 S C 1.724 176.324 174.600 0.001 0.000 0.987 235 S CA 0.669 58.871 58.200 0.003 0.000 0.909 235 S CB -0.441 62.760 63.200 0.002 0.000 0.781 235 S HN 0.729 nan 8.310 nan 0.000 0.521 236 C N -0.198 119.103 119.300 0.001 0.000 2.609 236 C HA 0.454 4.914 4.460 0.000 0.000 0.305 236 C C 1.058 176.046 174.990 -0.002 0.000 1.319 236 C CA 0.315 59.331 59.018 -0.003 0.000 1.793 236 C CB -0.913 26.825 27.740 -0.004 0.000 2.260 236 C HN 0.682 nan 8.230 nan 0.000 0.535 237 Y N -0.648 119.655 120.300 0.006 0.000 2.602 237 Y HA 0.617 5.167 4.550 0.000 0.000 0.342 237 Y C 0.186 176.096 175.900 0.016 0.000 1.029 237 Y CA -0.855 57.253 58.100 0.013 0.000 1.080 237 Y CB -0.084 38.390 38.460 0.022 0.000 1.284 237 Y HN 0.091 nan 8.280 nan 0.000 0.485 238 T N 4.764 119.331 114.554 0.021 0.000 2.747 238 T HA 0.416 4.766 4.350 0.000 0.000 0.301 238 T C -0.002 174.712 174.700 0.022 0.000 0.952 238 T CA -0.133 61.979 62.100 0.020 0.000 0.983 238 T CB -0.613 68.267 68.868 0.021 0.000 0.930 238 T HN 0.593 nan 8.240 nan 0.000 0.494 239 M N 3.937 123.549 119.600 0.019 0.000 2.146 239 M HA 0.202 4.682 4.480 0.000 0.000 0.357 239 M C 1.131 177.442 176.300 0.019 0.000 1.261 239 M CA -0.636 54.676 55.300 0.019 0.000 1.106 239 M CB 0.625 33.235 32.600 0.017 0.000 1.612 239 M HN 0.654 nan 8.290 nan 0.000 0.470 240 T N 0.633 115.198 114.554 0.019 0.000 2.802 240 T HA 0.183 4.534 4.350 0.000 0.000 0.305 240 T C -1.952 172.759 174.700 0.019 0.000 1.053 240 T CA -1.290 60.820 62.100 0.017 0.000 1.058 240 T CB 0.270 69.147 68.868 0.015 0.000 0.988 240 T HN 0.383 nan 8.240 nan 0.000 0.539 241 P HA -0.086 nan 4.420 nan 0.000 0.216 241 P C 1.582 178.897 177.300 0.026 0.000 1.153 241 P CA 1.665 64.779 63.100 0.022 0.000 0.858 241 P CB -0.348 31.362 31.700 0.018 0.000 0.789 242 A N -1.513 121.320 122.820 0.021 0.000 2.119 242 A HA -0.088 4.233 4.320 0.000 0.000 0.217 242 A C 1.999 179.594 177.584 0.019 0.000 1.153 242 A CA 1.812 53.861 52.037 0.021 0.000 0.692 242 A CB -1.451 17.560 19.000 0.017 0.000 0.799 242 A HN 0.188 nan 8.150 nan 0.000 0.458 243 T N -0.485 114.079 114.554 0.018 0.000 2.976 243 T HA 0.040 4.390 4.350 0.000 0.000 0.257 243 T C 1.117 175.825 174.700 0.013 0.000 1.051 243 T CA 0.394 62.502 62.100 0.014 0.000 1.141 243 T CB -0.056 68.821 68.868 0.015 0.000 0.881 243 T HN 0.574 nan 8.240 nan 0.000 0.461 244 Q N 0.402 120.215 119.800 0.021 0.000 2.584 244 Q HA 0.252 4.592 4.340 0.000 0.000 0.235 244 Q C -0.090 175.923 176.000 0.022 0.000 1.079 244 Q CA -0.181 55.638 55.803 0.025 0.000 0.977 244 Q CB 0.277 29.038 28.738 0.039 0.000 1.293 244 Q HN 0.410 nan 8.270 nan 0.000 0.553 245 I N 2.210 122.788 120.570 0.014 0.000 2.880 245 I HA -0.248 3.922 4.170 0.000 0.000 0.296 245 I C 0.465 176.603 176.117 0.035 0.000 1.220 245 I CA 0.464 61.735 61.300 -0.048 0.000 1.435 245 I CB -0.034 37.930 38.000 -0.059 0.000 1.339 245 I HN 0.797 nan 8.210 nan 0.000 0.583 246 H N 0.915 119.987 119.070 0.004 0.000 3.395 246 H HA -0.141 4.415 4.556 0.000 0.000 0.222 246 H C 0.840 176.171 175.328 0.004 0.000 1.099 246 H CA 0.638 56.688 56.048 0.003 0.000 1.182 246 H CB -1.688 28.075 29.762 0.003 0.000 1.188 246 H HN 0.861 nan 8.280 nan 0.000 0.317 247 G N 0.558 109.404 108.800 0.077 0.000 2.467 247 G HA2 0.256 4.216 3.960 0.000 0.000 0.257 247 G HA3 0.256 4.216 3.960 0.000 0.000 0.257 247 G C 0.888 175.809 174.900 0.034 0.000 1.227 247 G CA -0.130 45.001 45.100 0.051 0.000 0.835 247 G HN 0.345 nan 8.290 nan 0.000 0.556 248 E N 0.369 120.587 120.200 0.031 0.000 2.265 248 E HA -0.088 4.262 4.350 0.000 0.000 0.196 248 E C 0.731 177.341 176.600 0.017 0.000 0.996 248 E CA 0.836 57.250 56.400 0.024 0.000 0.832 248 E CB 0.094 29.806 29.700 0.021 0.000 0.756 248 E HN 0.447 nan 8.360 nan 0.000 0.491 249 K N -0.543 119.867 120.400 0.016 0.000 3.167 249 K HA 0.259 4.579 4.320 0.000 0.000 0.208 249 K C 1.141 177.745 176.600 0.006 0.000 1.159 249 K CA -0.118 56.176 56.287 0.012 0.000 1.018 249 K CB 1.010 33.519 32.500 0.014 0.000 0.927 249 K HN -0.053 nan 8.250 nan 0.000 0.476 250 R N 0.624 121.125 120.500 0.002 0.000 2.093 250 R HA -0.079 4.261 4.340 0.000 0.000 0.224 250 R C 2.248 178.541 176.300 -0.011 0.000 1.101 250 R CA 1.810 57.905 56.100 -0.008 0.000 0.979 250 R CB -1.320 28.967 30.300 -0.023 0.000 0.877 250 R HN 0.431 nan 8.270 nan 0.000 0.441 251 Q N 1.166 120.960 119.800 -0.010 0.000 2.224 251 Q HA -0.121 4.220 4.340 0.000 0.000 0.203 251 Q C 1.985 177.982 176.000 -0.005 0.000 0.970 251 Q CA 1.767 57.565 55.803 -0.009 0.000 0.865 251 Q CB -0.905 27.829 28.738 -0.006 0.000 0.922 251 Q HN 0.900 nan 8.270 nan 0.000 0.445 252 N N -0.267 118.432 118.700 -0.002 0.000 2.381 252 N HA -0.038 4.702 4.740 0.000 0.000 0.182 252 N C 1.574 177.083 175.510 -0.002 0.000 1.025 252 N CA 1.202 54.251 53.050 -0.001 0.000 0.888 252 N CB 0.253 38.742 38.487 0.003 0.000 0.965 252 N HN 0.386 nan 8.380 nan 0.000 0.438 253 V N 0.579 120.492 119.914 -0.002 0.000 2.591 253 V HA -0.071 4.049 4.120 0.000 0.000 0.249 253 V C 1.955 178.046 176.094 -0.005 0.000 1.053 253 V CA 1.062 63.361 62.300 -0.002 0.000 1.068 253 V CB -0.497 31.325 31.823 -0.002 0.000 0.689 253 V HN 0.289 nan 8.190 nan 0.000 0.462 254 L N -0.475 120.743 121.223 -0.008 0.000 2.072 254 L HA -0.058 4.282 4.340 0.000 0.000 0.205 254 L C 2.684 179.549 176.870 -0.008 0.000 1.079 254 L CA 1.238 56.073 54.840 -0.009 0.000 0.752 254 L CB -0.687 41.365 42.059 -0.011 0.000 0.906 254 L HN 0.274 nan 8.230 nan 0.000 0.436 255 E N 0.603 120.799 120.200 -0.007 0.000 2.150 255 E HA -0.157 4.193 4.350 0.000 0.000 0.193 255 E C 2.249 178.843 176.600 -0.010 0.000 0.985 255 E CA 1.287 57.682 56.400 -0.008 0.000 0.814 255 E CB -0.021 29.675 29.700 -0.006 0.000 0.752 255 E HN 0.478 nan 8.360 nan 0.000 0.466 256 A N 1.366 124.181 122.820 -0.009 0.000 1.898 256 A HA 0.062 4.382 4.320 0.000 0.000 0.214 256 A C 2.421 179.997 177.584 -0.014 0.000 1.183 256 A CA 1.487 53.517 52.037 -0.011 0.000 0.622 256 A CB -0.441 18.555 19.000 -0.007 0.000 0.824 256 A HN 0.247 nan 8.150 nan 0.000 0.444 257 A N -0.261 122.553 122.820 -0.011 0.000 1.908 257 A HA -0.037 4.283 4.320 0.000 0.000 0.218 257 A C 2.464 180.039 177.584 -0.014 0.000 1.181 257 A CA 2.648 54.678 52.037 -0.011 0.000 0.627 257 A CB -0.906 18.089 19.000 -0.007 0.000 0.818 257 A HN 0.702 nan 8.150 nan 0.000 0.445 258 R N -0.176 120.317 120.500 -0.013 0.000 2.115 258 R HA 0.139 4.479 4.340 0.000 0.000 0.230 258 R C 2.001 178.290 176.300 -0.019 0.000 1.111 258 R CA 1.508 57.600 56.100 -0.012 0.000 0.976 258 R CB -1.232 29.062 30.300 -0.009 0.000 0.870 258 R HN 0.647 nan 8.270 nan 0.000 0.445 259 I N 0.159 120.714 120.570 -0.025 0.000 2.286 259 I HA -0.179 3.992 4.170 0.000 0.000 0.245 259 I C 2.767 178.850 176.117 -0.056 0.000 1.104 259 I CA 1.527 62.804 61.300 -0.039 0.000 1.397 259 I CB -0.166 37.812 38.000 -0.035 0.000 1.072 259 I HN 0.521 nan 8.210 nan 0.000 0.417 260 E N 1.287 121.457 120.200 -0.049 0.000 2.085 260 E HA -0.231 4.119 4.350 0.000 0.000 0.194 260 E C 2.303 178.866 176.600 -0.062 0.000 0.994 260 E CA 1.279 57.642 56.400 -0.062 0.000 0.801 260 E CB 0.008 29.685 29.700 -0.039 0.000 0.743 260 E HN 0.463 nan 8.360 nan 0.000 0.453 261 L N -0.306 120.895 121.223 -0.037 0.000 2.156 261 L HA -0.008 4.332 4.340 0.000 0.000 0.208 261 L C 2.602 179.462 176.870 -0.017 0.000 1.095 261 L CA 0.892 55.718 54.840 -0.023 0.000 0.770 261 L CB -0.437 41.616 42.059 -0.009 0.000 0.914 261 L HN 0.247 nan 8.230 nan 0.000 0.439 262 G N -0.209 108.579 108.800 -0.021 0.000 2.422 262 G HA2 -0.225 3.735 3.960 0.000 0.000 0.218 262 G HA3 -0.225 3.735 3.960 0.000 0.000 0.218 262 G C 1.644 176.540 174.900 -0.006 0.000 1.146 262 G CA 0.547 45.645 45.100 -0.002 0.000 0.769 262 G HN 0.175 nan 8.290 nan 0.000 0.547 263 M N -0.195 119.350 119.600 -0.093 0.000 2.193 263 M HA 0.076 4.556 4.480 0.000 0.000 0.265 263 M C 2.515 178.721 176.300 -0.156 0.000 1.071 263 M CA 1.102 56.294 55.300 -0.181 0.000 1.140 263 M CB -0.215 32.187 32.600 -0.331 0.000 1.369 263 M HN 0.138 nan 8.290 nan 0.000 0.423 264 K N 0.850 121.159 120.400 -0.151 0.000 2.097 264 K HA -0.174 4.146 4.320 0.000 0.000 0.206 264 K C 2.387 178.970 176.600 -0.029 0.000 1.049 264 K CA 1.738 57.943 56.287 -0.137 0.000 0.933 264 K CB 0.022 32.476 32.500 -0.076 0.000 0.717 264 K HN 0.278 nan 8.250 nan 0.000 0.442 265 R N 0.335 120.847 120.500 0.020 0.000 2.090 265 R HA -0.107 4.233 4.340 0.000 0.000 0.228 265 R C 1.942 178.296 176.300 0.091 0.000 1.110 265 R CA 1.590 57.719 56.100 0.049 0.000 0.973 265 R CB -1.529 28.800 30.300 0.049 0.000 0.869 265 R HN 0.380 nan 8.270 nan 0.000 0.440 266 F N 0.794 120.738 119.950 -0.011 0.000 2.146 266 F HA 0.041 4.569 4.527 0.000 0.000 0.298 266 F C 2.084 177.960 175.800 0.127 0.000 1.096 266 F CA 1.482 59.516 58.000 0.058 0.000 1.275 266 F CB 0.038 39.062 39.000 0.040 0.000 1.008 266 F HN 0.103 nan 8.300 nan 0.000 0.480 267 L N 0.103 121.489 121.223 0.272 0.000 2.109 267 L HA -0.116 4.224 4.340 0.000 0.000 0.207 267 L C 2.887 179.839 176.870 0.136 0.000 1.086 267 L CA 1.412 56.398 54.840 0.243 0.000 0.760 267 L CB -1.401 40.555 42.059 -0.172 0.000 0.910 267 L HN 0.292 nan 8.230 nan 0.000 0.437 268 E N 0.199 120.437 120.200 0.064 0.000 2.017 268 E HA -0.274 4.077 4.350 0.000 0.000 0.193 268 E C 1.997 178.572 176.600 -0.042 0.000 0.997 268 E CA 1.538 57.959 56.400 0.035 0.000 0.804 268 E CB -0.739 28.982 29.700 0.035 0.000 0.757 268 E HN 0.611 nan 8.360 nan 0.000 0.448 269 Q N -0.668 119.095 119.800 -0.061 0.000 2.224 269 Q HA 0.002 4.342 4.340 0.000 0.000 0.203 269 Q C 2.459 178.345 176.000 -0.190 0.000 0.970 269 Q CA 0.808 56.543 55.803 -0.112 0.000 0.865 269 Q CB 0.048 28.719 28.738 -0.110 0.000 0.922 269 Q HN 0.593 nan 8.270 nan 0.000 0.445 270 G N -0.064 108.584 108.800 -0.253 0.000 2.511 270 G HA2 0.080 4.040 3.960 0.000 0.000 0.217 270 G HA3 0.080 4.040 3.960 0.000 0.000 0.217 270 G C 0.919 175.312 174.900 -0.845 0.000 1.133 270 G CA 0.405 45.164 45.100 -0.567 0.000 0.792 270 G HN 0.469 nan 8.290 nan 0.000 0.539 271 G N -0.957 107.558 108.800 -0.475 0.000 2.182 271 G HA2 -0.230 3.730 3.960 0.000 0.000 0.248 271 G HA3 -0.230 3.730 3.960 0.000 0.000 0.248 271 G C -0.021 174.702 174.900 -0.296 0.000 1.042 271 G CA -0.167 44.734 45.100 -0.331 0.000 0.775 271 G HN 0.268 nan 8.290 nan 0.000 0.501 272 F N -0.241 119.740 119.950 0.052 0.000 2.379 272 F HA 0.568 5.095 4.527 0.000 0.000 0.332 272 F C 1.594 177.507 175.800 0.187 0.000 1.096 272 F CA -0.585 57.512 58.000 0.162 0.000 1.105 272 F CB 0.896 39.989 39.000 0.154 0.000 1.189 272 F HN 0.159 nan 8.300 nan 0.000 0.515 273 H N 0.727 120.083 119.070 0.477 0.000 2.885 273 H HA 0.608 5.164 4.556 0.000 0.000 0.260 273 H C -0.022 175.570 175.328 0.440 0.000 0.985 273 H CA 0.330 56.602 56.048 0.373 0.000 1.210 273 H CB 0.905 30.779 29.762 0.187 0.000 1.466 273 H HN 0.517 nan 8.280 nan 0.000 0.493 274 A N 1.094 124.233 122.820 0.532 0.000 2.612 274 A HA 0.535 4.855 4.320 0.000 0.000 0.293 274 A C -1.723 176.066 177.584 0.341 0.000 1.075 274 A CA -0.690 51.578 52.037 0.386 0.000 0.680 274 A CB 1.478 20.541 19.000 0.106 0.000 1.279 274 A HN 0.181 nan 8.150 nan 0.000 0.411 275 F N -1.210 118.754 119.950 0.024 0.000 2.711 275 F HA 0.912 5.439 4.527 0.000 0.000 0.313 275 F C -0.334 175.429 175.800 -0.062 0.000 1.141 275 F CA -0.239 57.730 58.000 -0.051 0.000 0.941 275 F CB 1.322 40.291 39.000 -0.052 0.000 1.349 275 F HN 1.002 nan 8.300 nan 0.000 0.464 276 T N -1.611 112.931 114.554 -0.020 0.000 2.883 276 T HA 0.731 5.082 4.350 0.000 0.000 0.301 276 T C -1.039 173.696 174.700 0.059 0.000 1.158 276 T CA -0.374 61.608 62.100 -0.196 0.000 1.007 276 T CB 1.614 70.340 68.868 -0.237 0.000 1.186 276 T HN 1.261 nan 8.240 nan 0.000 0.499 277 T N -0.213 114.371 114.554 0.051 0.000 2.896 277 T HA 0.717 5.067 4.350 0.000 0.000 0.297 277 T C -1.256 173.478 174.700 0.058 0.000 1.108 277 T CA -0.411 61.758 62.100 0.116 0.000 1.004 277 T CB 2.061 71.066 68.868 0.228 0.000 1.159 277 T HN 0.835 nan 8.240 nan 0.000 0.499 278 T N 3.178 117.756 114.554 0.040 0.000 2.881 278 T HA 0.398 4.749 4.350 0.000 0.000 0.290 278 T C 0.665 175.342 174.700 -0.038 0.000 1.000 278 T CA -0.555 61.515 62.100 -0.050 0.000 0.978 278 T CB 0.805 69.597 68.868 -0.126 0.000 0.997 278 T HN 0.622 nan 8.240 nan 0.000 0.443 279 F N 1.296 121.287 119.950 0.070 0.000 2.502 279 F HA 0.237 4.764 4.527 0.000 0.000 0.298 279 F C 1.618 177.432 175.800 0.023 0.000 1.111 279 F CA 0.546 58.573 58.000 0.045 0.000 1.445 279 F CB -0.549 38.483 39.000 0.053 0.000 1.081 279 F HN 0.538 nan 8.300 nan 0.000 0.558 280 E N 0.106 120.035 120.200 -0.453 0.000 2.418 280 E HA -0.119 4.231 4.350 0.000 0.000 0.197 280 E C -0.260 176.306 176.600 -0.056 0.000 1.026 280 E CA 0.943 57.219 56.400 -0.206 0.000 0.862 280 E CB -0.103 29.422 29.700 -0.292 0.000 0.799 280 E HN 0.403 nan 8.360 nan 0.000 0.518 281 D N -0.367 120.010 120.400 -0.038 0.000 2.358 281 D HA 0.214 4.854 4.640 0.000 0.000 0.253 281 D C -0.917 175.403 176.300 0.034 0.000 1.288 281 D CA -0.166 53.865 54.000 0.052 0.000 0.950 281 D CB 0.639 41.488 40.800 0.081 0.000 1.197 281 D HN -0.103 nan 8.370 nan 0.000 0.550 282 L N 3.115 124.312 121.223 -0.043 0.000 3.291 282 L HA 0.257 4.597 4.340 0.000 0.000 0.307 282 L C 0.032 176.862 176.870 -0.068 0.000 1.303 282 L CA -0.604 54.217 54.840 -0.031 0.000 0.949 282 L CB 0.375 42.423 42.059 -0.018 0.000 1.375 282 L HN 0.374 nan 8.230 nan 0.000 0.596 283 H N 1.141 120.220 119.070 0.014 0.000 2.975 283 H HA 0.183 4.739 4.556 0.000 0.000 0.303 283 H C 1.185 176.516 175.328 0.005 0.000 1.023 283 H CA 1.277 57.332 56.048 0.011 0.000 1.473 283 H CB 1.208 30.976 29.762 0.010 0.000 1.498 283 H HN 0.508 nan 8.280 nan 0.000 0.549 284 G N 3.418 112.272 108.800 0.090 0.000 2.175 284 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 284 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 284 G C 0.066 174.978 174.900 0.021 0.000 0.982 284 G CA -0.293 44.838 45.100 0.052 0.000 0.641 284 G HN 0.514 nan 8.290 nan 0.000 0.527 285 L N -0.065 121.163 121.223 0.009 0.000 2.296 285 L HA 0.692 5.033 4.340 0.000 0.000 0.286 285 L C 1.753 178.619 176.870 -0.007 0.000 1.023 285 L CA -0.200 54.638 54.840 -0.003 0.000 0.812 285 L CB 1.345 43.400 42.059 -0.006 0.000 1.223 285 L HN 0.158 nan 8.230 nan 0.000 0.421 286 K N 3.231 123.627 120.400 -0.006 0.000 2.147 286 K HA -0.066 4.254 4.320 0.000 0.000 0.205 286 K C 0.653 177.247 176.600 -0.010 0.000 1.049 286 K CA 1.514 57.797 56.287 -0.006 0.000 0.936 286 K CB -0.380 32.118 32.500 -0.004 0.000 0.722 286 K HN 0.808 nan 8.250 nan 0.000 0.446 287 Q N -2.047 117.747 119.800 -0.009 0.000 2.534 287 Q HA 0.592 4.932 4.340 0.000 0.000 0.290 287 Q C -1.145 174.857 176.000 0.003 0.000 0.991 287 Q CA -1.146 54.652 55.803 -0.009 0.000 0.783 287 Q CB 1.020 29.752 28.738 -0.010 0.000 1.470 287 Q HN 0.106 nan 8.270 nan 0.000 0.406 288 L N 2.099 123.330 121.223 0.013 0.000 2.455 288 L HA 0.311 4.651 4.340 0.000 0.000 0.272 288 L C -2.374 174.515 176.870 0.033 0.000 1.174 288 L CA -0.952 53.914 54.840 0.044 0.000 0.869 288 L CB 0.204 42.305 42.059 0.070 0.000 1.130 288 L HN 0.488 nan 8.230 nan 0.000 0.474 289 P HA 0.171 nan 4.420 nan 0.000 0.263 289 P C -0.093 177.206 177.300 -0.002 0.000 1.195 289 P CA 0.273 63.378 63.100 0.007 0.000 0.762 289 P CB 0.945 32.649 31.700 0.007 0.000 0.799 290 G N 2.077 110.868 108.800 -0.015 0.000 2.619 290 G HA2 -0.013 3.947 3.960 0.000 0.000 0.201 290 G HA3 -0.013 3.947 3.960 0.000 0.000 0.201 290 G C 0.909 175.799 174.900 -0.016 0.000 1.188 290 G CA -0.015 45.081 45.100 -0.008 0.000 0.663 290 G HN 0.468 nan 8.290 nan 0.000 0.757 291 L N 1.167 122.387 121.223 -0.005 0.000 2.179 291 L HA 0.304 4.644 4.340 0.000 0.000 0.208 291 L C 3.025 179.888 176.870 -0.011 0.000 1.096 291 L CA 1.647 56.491 54.840 0.006 0.000 0.779 291 L CB -0.058 42.009 42.059 0.013 0.000 0.922 291 L HN 0.257 nan 8.230 nan 0.000 0.443 292 A N -0.402 122.400 122.820 -0.030 0.000 1.902 292 A HA -0.184 4.136 4.320 0.000 0.000 0.217 292 A C 2.174 179.723 177.584 -0.058 0.000 1.181 292 A CA 2.112 54.122 52.037 -0.045 0.000 0.623 292 A CB -1.060 17.906 19.000 -0.057 0.000 0.818 292 A HN 0.404 nan 8.150 nan 0.000 0.443 293 V N -2.244 117.607 119.914 -0.105 0.000 2.453 293 V HA -0.266 3.854 4.120 0.000 0.000 0.247 293 V C 2.211 178.213 176.094 -0.154 0.000 1.048 293 V CA 1.957 64.134 62.300 -0.206 0.000 1.049 293 V CB -1.343 30.055 31.823 -0.708 0.000 0.672 293 V HN 0.590 nan 8.190 nan 0.000 0.457 294 Q N 0.299 120.050 119.800 -0.082 0.000 2.079 294 Q HA -0.098 4.243 4.340 0.000 0.000 0.200 294 Q C 2.563 178.591 176.000 0.046 0.000 0.974 294 Q CA 1.696 57.507 55.803 0.012 0.000 0.840 294 Q CB -0.201 28.581 28.738 0.074 0.000 0.898 294 Q HN 0.621 nan 8.270 nan 0.000 0.430 295 R N 0.265 120.786 120.500 0.036 0.000 2.090 295 R HA -0.045 4.296 4.340 0.000 0.000 0.228 295 R C 2.302 178.655 176.300 0.089 0.000 1.110 295 R CA 0.835 56.963 56.100 0.048 0.000 0.973 295 R CB -0.263 30.055 30.300 0.030 0.000 0.869 295 R HN 0.249 nan 8.270 nan 0.000 0.440 296 L N 0.301 121.588 121.223 0.106 0.000 2.093 296 L HA -0.145 4.195 4.340 0.000 0.000 0.208 296 L C 2.618 179.687 176.870 0.331 0.000 1.085 296 L CA 1.170 56.145 54.840 0.225 0.000 0.755 296 L CB -0.311 41.830 42.059 0.136 0.000 0.904 296 L HN 0.215 nan 8.230 nan 0.000 0.435 297 M N -0.804 118.927 119.600 0.218 0.000 2.080 297 M HA -0.290 4.190 4.480 0.000 0.000 0.260 297 M C 2.419 178.805 176.300 0.144 0.000 1.068 297 M CA 1.825 57.237 55.300 0.186 0.000 1.109 297 M CB -0.353 32.324 32.600 0.127 0.000 1.342 297 M HN 0.303 nan 8.290 nan 0.000 0.405 298 Q N 0.403 120.267 119.800 0.106 0.000 2.061 298 Q HA -0.253 4.087 4.340 0.000 0.000 0.204 298 Q C 1.679 177.721 176.000 0.070 0.000 0.984 298 Q CA 1.694 57.536 55.803 0.066 0.000 0.846 298 Q CB -0.032 28.727 28.738 0.035 0.000 0.902 298 Q HN 0.560 nan 8.270 nan 0.000 0.421 299 Q N -1.684 118.181 119.800 0.108 0.000 2.515 299 Q HA 0.010 4.350 4.340 0.000 0.000 0.212 299 Q C 0.804 176.819 176.000 0.025 0.000 0.970 299 Q CA 0.557 56.416 55.803 0.093 0.000 0.941 299 Q CB 0.475 29.311 28.738 0.164 0.000 0.998 299 Q HN 0.661 nan 8.270 nan 0.000 0.518 300 G N -0.864 107.965 108.800 0.048 0.000 2.255 300 G HA2 -0.237 3.724 3.960 0.000 0.000 0.196 300 G HA3 -0.237 3.724 3.960 0.000 0.000 0.196 300 G C -0.285 174.604 174.900 -0.020 0.000 0.998 300 G CA -0.646 44.439 45.100 -0.025 0.000 0.656 300 G HN 0.267 nan 8.290 nan 0.000 0.490 301 Y N 1.403 121.797 120.300 0.157 0.000 2.480 301 Y HA 0.422 4.972 4.550 0.000 0.000 0.338 301 Y C 1.553 177.557 175.900 0.174 0.000 1.220 301 Y CA 0.771 59.008 58.100 0.228 0.000 1.430 301 Y CB 0.762 39.452 38.460 0.383 0.000 1.311 301 Y HN 0.267 nan 8.280 nan 0.000 0.575 302 G N 1.702 110.677 108.800 0.292 0.000 2.476 302 G HA2 0.421 4.381 3.960 0.000 0.000 0.269 302 G HA3 0.421 4.381 3.960 0.000 0.000 0.269 302 G C -1.847 172.992 174.900 -0.101 0.000 1.195 302 G CA -0.178 44.962 45.100 0.067 0.000 0.843 302 G HN 0.498 nan 8.290 nan 0.000 0.545 303 F N 0.934 120.607 119.950 -0.461 0.000 2.654 303 F HA 0.629 5.156 4.527 0.000 0.000 0.314 303 F C -0.504 174.724 175.800 -0.954 0.000 1.116 303 F CA -0.627 56.876 58.000 -0.828 0.000 1.017 303 F CB 1.265 39.728 39.000 -0.895 0.000 1.285 303 F HN 0.860 nan 8.300 nan 0.000 0.448 304 A N 3.053 124.570 122.820 -2.172 0.000 2.530 304 A HA 0.856 5.176 4.320 0.000 0.000 0.288 304 A C -0.099 176.041 177.584 -2.406 0.000 1.172 304 A CA -0.335 50.150 52.037 -2.587 0.000 0.733 304 A CB 0.868 19.003 19.000 -1.442 0.000 1.320 304 A HN 1.340 nan 8.150 nan 0.000 0.419 305 G N -0.671 107.134 108.800 -1.658 0.000 2.711 305 G HA2 0.383 4.343 3.960 0.000 0.000 0.186 305 G HA3 0.383 4.343 3.960 0.000 0.000 0.186 305 G C -0.370 174.339 174.900 -0.319 0.000 1.635 305 G CA -0.168 44.532 45.100 -0.667 0.000 1.065 305 G HN 0.760 nan 8.290 nan 0.000 0.545 306 E N 0.672 120.904 120.200 0.052 0.000 2.070 306 E HA 0.354 4.705 4.350 0.000 0.000 0.249 306 E C 1.056 177.647 176.600 -0.015 0.000 1.247 306 E CA 0.865 57.299 56.400 0.057 0.000 1.009 306 E CB -0.827 28.960 29.700 0.146 0.000 1.093 306 E HN 0.940 nan 8.360 nan 0.000 0.443 307 G N 3.065 111.819 108.800 -0.076 0.000 2.305 307 G HA2 -0.333 3.627 3.960 0.000 0.000 0.287 307 G HA3 -0.333 3.627 3.960 0.000 0.000 0.287 307 G C -0.237 174.646 174.900 -0.029 0.000 1.036 307 G CA 0.238 45.326 45.100 -0.020 0.000 0.887 307 G HN 0.542 nan 8.290 nan 0.000 0.505 308 D N 0.745 121.031 120.400 -0.190 0.000 2.564 308 D HA 0.236 4.876 4.640 0.000 0.000 0.226 308 D C 1.771 177.865 176.300 -0.343 0.000 1.149 308 D CA -0.723 53.107 54.000 -0.284 0.000 0.994 308 D CB -0.565 40.088 40.800 -0.245 0.000 1.029 308 D HN 0.511 nan 8.370 nan 0.000 0.517 309 W N 2.381 123.581 121.300 -0.166 0.000 2.363 309 W HA -0.132 4.528 4.660 0.000 0.000 0.296 309 W C 1.594 177.985 176.519 -0.214 0.000 1.212 309 W CA 1.053 58.289 57.345 -0.182 0.000 1.260 309 W CB -1.053 28.366 29.460 -0.069 0.000 1.131 309 W HN 0.314 nan 8.180 nan 0.000 0.530 310 K N 1.623 121.706 120.400 -0.529 0.000 2.032 310 K HA -0.154 4.166 4.320 0.000 0.000 0.209 310 K C 1.912 178.308 176.600 -0.340 0.000 1.048 310 K CA 2.693 58.730 56.287 -0.417 0.000 0.927 310 K CB -1.657 30.498 32.500 -0.575 0.000 0.712 310 K HN 0.314 nan 8.250 nan 0.000 0.441 311 T N 0.198 114.554 114.554 -0.331 0.000 2.812 311 T HA 0.141 4.491 4.350 0.000 0.000 0.264 311 T C 2.415 176.908 174.700 -0.346 0.000 1.042 311 T CA 1.115 63.050 62.100 -0.274 0.000 1.140 311 T CB -0.441 68.305 68.868 -0.203 0.000 0.870 311 T HN 0.631 nan 8.240 nan 0.000 0.445 312 A N 2.000 124.551 122.820 -0.448 0.000 1.873 312 A HA -0.033 4.288 4.320 0.000 0.000 0.218 312 A C 2.687 180.072 177.584 -0.332 0.000 1.193 312 A CA 2.248 54.015 52.037 -0.451 0.000 0.629 312 A CB -1.389 17.341 19.000 -0.450 0.000 0.826 312 A HN 0.519 nan 8.150 nan 0.000 0.447 313 A N -0.729 121.854 122.820 -0.395 0.000 1.892 313 A HA -0.143 4.177 4.320 0.000 0.000 0.218 313 A C 2.190 179.525 177.584 -0.416 0.000 1.188 313 A CA 1.972 53.677 52.037 -0.554 0.000 0.631 313 A CB -0.769 17.525 19.000 -1.176 0.000 0.822 313 A HN 0.846 nan 8.150 nan 0.000 0.447 314 L N -1.055 119.944 121.223 -0.373 0.000 2.131 314 L HA -0.122 4.219 4.340 0.000 0.000 0.210 314 L C 2.225 178.968 176.870 -0.211 0.000 1.092 314 L CA 1.803 56.466 54.840 -0.295 0.000 0.759 314 L CB -0.444 41.458 42.059 -0.262 0.000 0.903 314 L HN 0.391 nan 8.230 nan 0.000 0.435 315 L N -0.093 121.027 121.223 -0.172 0.000 1.994 315 L HA -0.164 4.176 4.340 0.000 0.000 0.208 315 L C 3.010 179.841 176.870 -0.065 0.000 1.071 315 L CA 2.598 57.385 54.840 -0.089 0.000 0.745 315 L CB -1.133 40.891 42.059 -0.058 0.000 0.892 315 L HN 0.284 nan 8.230 nan 0.000 0.431 316 R N 0.067 120.524 120.500 -0.072 0.000 2.096 316 R HA -0.174 4.167 4.340 0.000 0.000 0.240 316 R C 2.172 178.451 176.300 -0.035 0.000 1.139 316 R CA 2.382 58.469 56.100 -0.022 0.000 0.952 316 R CB -1.963 28.336 30.300 -0.001 0.000 0.854 316 R HN 0.617 nan 8.270 nan 0.000 0.436 317 I N 0.323 120.840 120.570 -0.088 0.000 2.163 317 I HA -0.328 3.842 4.170 0.000 0.000 0.243 317 I C 2.868 178.951 176.117 -0.057 0.000 1.085 317 I CA 2.148 63.411 61.300 -0.062 0.000 1.347 317 I CB -0.220 37.730 38.000 -0.083 0.000 1.044 317 I HN 0.329 nan 8.210 nan 0.000 0.408 318 M N -0.355 119.180 119.600 -0.108 0.000 2.319 318 M HA -0.142 4.338 4.480 0.000 0.000 0.265 318 M C 2.185 178.468 176.300 -0.029 0.000 1.068 318 M CA 1.431 56.671 55.300 -0.101 0.000 1.118 318 M CB -0.218 32.294 32.600 -0.147 0.000 1.395 318 M HN 0.088 nan 8.290 nan 0.000 0.435 319 K N 0.017 120.413 120.400 -0.007 0.000 2.025 319 K HA -0.078 4.242 4.320 0.000 0.000 0.207 319 K C 1.908 178.541 176.600 0.055 0.000 1.049 319 K CA 1.146 57.449 56.287 0.026 0.000 0.933 319 K CB -0.163 32.358 32.500 0.034 0.000 0.714 319 K HN 0.115 nan 8.250 nan 0.000 0.438 320 V N 1.910 121.862 119.914 0.063 0.000 2.343 320 V HA -0.276 3.844 4.120 0.000 0.000 0.247 320 V C 2.345 178.549 176.094 0.184 0.000 1.051 320 V CA 1.696 64.068 62.300 0.119 0.000 1.036 320 V CB -0.367 31.504 31.823 0.081 0.000 0.654 320 V HN 0.423 nan 8.190 nan 0.000 0.451 321 M N 1.007 120.674 119.600 0.112 0.000 2.202 321 M HA -0.171 4.309 4.480 0.000 0.000 0.262 321 M C 1.974 178.371 176.300 0.161 0.000 1.063 321 M CA 2.333 57.715 55.300 0.136 0.000 1.097 321 M CB -0.179 32.455 32.600 0.057 0.000 1.382 321 M HN 0.550 nan 8.290 nan 0.000 0.413 322 S N -1.063 114.692 115.700 0.093 0.000 2.605 322 S HA 0.083 4.553 4.470 0.000 0.000 0.217 322 S C 0.412 175.018 174.600 0.009 0.000 0.958 322 S CA -0.233 57.993 58.200 0.044 0.000 0.919 322 S CB -0.945 62.267 63.200 0.021 0.000 0.780 322 S HN 0.422 nan 8.310 nan 0.000 0.507 323 T N 2.353 116.921 114.554 0.023 0.000 2.867 323 T HA 0.472 4.823 4.350 0.000 0.000 0.297 323 T C 1.445 175.994 174.700 -0.252 0.000 0.989 323 T CA 0.453 62.504 62.100 -0.082 0.000 1.159 323 T CB 0.456 69.312 68.868 -0.018 0.000 0.928 323 T HN 0.840 nan 8.240 nan 0.000 0.538 324 G N 2.379 111.079 108.800 -0.166 0.000 2.195 324 G HA2 -0.217 3.743 3.960 0.000 0.000 0.246 324 G HA3 -0.217 3.743 3.960 0.000 0.000 0.246 324 G C 0.082 174.919 174.900 -0.104 0.000 0.984 324 G CA -0.222 44.780 45.100 -0.164 0.000 0.633 324 G HN 0.662 nan 8.290 nan 0.000 0.525 325 L N 0.177 121.354 121.223 -0.077 0.000 2.454 325 L HA 0.534 4.874 4.340 0.000 0.000 0.256 325 L C 0.864 177.721 176.870 -0.023 0.000 1.136 325 L CA -0.641 54.175 54.840 -0.039 0.000 0.804 325 L CB 0.850 42.896 42.059 -0.021 0.000 1.181 325 L HN 0.114 nan 8.230 nan 0.000 0.469 326 Q N 0.734 120.526 119.800 -0.013 0.000 2.400 326 Q HA 0.577 4.917 4.340 0.000 0.000 0.255 326 Q C -0.309 175.697 176.000 0.009 0.000 1.008 326 Q CA -0.340 55.458 55.803 -0.008 0.000 0.841 326 Q CB 1.763 30.492 28.738 -0.016 0.000 1.220 326 Q HN 0.819 nan 8.270 nan 0.000 0.474 327 G N 0.545 109.362 108.800 0.029 0.000 2.316 327 G HA2 0.323 4.283 3.960 0.000 0.000 0.296 327 G HA3 0.323 4.283 3.960 0.000 0.000 0.296 327 G C -0.163 174.800 174.900 0.105 0.000 1.399 327 G CA -0.225 44.926 45.100 0.085 0.000 0.833 327 G HN 0.520 nan 8.290 nan 0.000 0.565 328 G N -1.346 107.568 108.800 0.190 0.000 2.670 328 G HA2 0.479 4.439 3.960 0.000 0.000 0.219 328 G HA3 0.479 4.439 3.960 0.000 0.000 0.219 328 G C 0.442 175.420 174.900 0.130 0.000 1.342 328 G CA 1.345 46.548 45.100 0.173 0.000 0.902 328 G HN 2.000 nan 8.290 nan 0.000 0.553 329 T N -0.103 114.546 114.554 0.159 0.000 2.150 329 T HA -0.004 4.346 4.350 0.000 0.000 0.570 329 T C -0.635 174.146 174.700 0.136 0.000 0.880 329 T CA 0.213 62.380 62.100 0.111 0.000 3.027 329 T CB -1.624 67.275 68.868 0.053 0.000 1.841 329 T HN 0.599 nan 8.240 nan 0.000 0.500 330 S N 2.142 117.948 115.700 0.176 0.000 2.549 330 S HA 0.767 5.237 4.470 0.000 0.000 0.280 330 S C -0.398 174.308 174.600 0.178 0.000 1.109 330 S CA -1.060 57.240 58.200 0.166 0.000 0.905 330 S CB 1.512 64.787 63.200 0.125 0.000 1.081 330 S HN 0.657 nan 8.310 nan 0.000 0.477 331 F N 3.003 122.974 119.950 0.035 0.000 2.563 331 F HA 0.630 5.157 4.527 0.000 0.000 0.363 331 F C -0.236 175.567 175.800 0.005 0.000 1.123 331 F CA -0.062 57.928 58.000 -0.016 0.000 1.307 331 F CB 0.412 39.391 39.000 -0.035 0.000 1.115 331 F HN 0.542 nan 8.300 nan 0.000 0.592 332 M N 4.640 123.801 119.600 -0.732 0.000 2.578 332 M HA 0.376 4.856 4.480 0.000 0.000 0.276 332 M C -1.836 174.165 176.300 -0.500 0.000 1.245 332 M CA -0.439 54.538 55.300 -0.538 0.000 0.871 332 M CB 2.121 34.626 32.600 -0.159 0.000 1.722 332 M HN 0.712 nan 8.290 nan 0.000 0.473 333 E N 0.757 120.829 120.200 -0.214 0.000 2.331 333 E HA 0.411 4.761 4.350 0.000 0.000 0.275 333 E C -1.577 175.050 176.600 0.045 0.000 0.895 333 E CA -0.629 55.770 56.400 -0.001 0.000 0.753 333 E CB 1.436 31.217 29.700 0.135 0.000 1.216 333 E HN 0.675 nan 8.360 nan 0.000 0.434 334 D N 3.493 123.931 120.400 0.063 0.000 2.435 334 D HA 0.131 4.771 4.640 0.000 0.000 0.230 334 D C 0.760 177.027 176.300 -0.055 0.000 1.215 334 D CA 0.511 54.518 54.000 0.012 0.000 0.947 334 D CB -0.220 40.569 40.800 -0.018 0.000 1.048 334 D HN 0.559 nan 8.370 nan 0.000 0.512 335 Y N 0.612 120.853 120.300 -0.099 0.000 2.184 335 Y HA 0.040 4.590 4.550 0.000 0.000 0.290 335 Y C 1.390 177.213 175.900 -0.128 0.000 1.129 335 Y CA 0.589 58.624 58.100 -0.108 0.000 1.144 335 Y CB 0.008 38.395 38.460 -0.121 0.000 0.995 335 Y HN 0.338 nan 8.280 nan 0.000 0.513 336 T N -3.971 110.473 114.554 -0.183 0.000 2.769 336 T HA 0.577 4.927 4.350 0.000 0.000 0.306 336 T C -1.283 173.245 174.700 -0.288 0.000 1.400 336 T CA -0.017 61.968 62.100 -0.193 0.000 1.007 336 T CB 0.203 68.976 68.868 -0.158 0.000 1.392 336 T HN 1.035 nan 8.240 nan 0.000 0.500 337 Y N 0.210 120.308 120.300 -0.337 0.000 2.509 337 Y HA 0.751 5.301 4.550 0.000 0.000 0.341 337 Y C -0.475 175.126 175.900 -0.498 0.000 1.038 337 Y CA -1.135 56.640 58.100 -0.542 0.000 1.089 337 Y CB 1.156 39.077 38.460 -0.899 0.000 1.241 337 Y HN 0.912 nan 8.280 nan 0.000 0.468 338 H N 2.508 121.244 119.070 -0.556 0.000 2.476 338 H HA 0.485 5.041 4.556 0.000 0.000 0.328 338 H C -1.860 173.197 175.328 -0.452 0.000 1.073 338 H CA -0.793 55.023 56.048 -0.387 0.000 1.229 338 H CB 0.614 30.229 29.762 -0.244 0.000 1.432 338 H HN 0.680 nan 8.280 nan 0.000 0.477 339 F N 3.906 123.625 119.950 -0.385 0.000 2.375 339 F HA 0.299 4.826 4.527 0.000 0.000 0.361 339 F C 0.349 176.002 175.800 -0.244 0.000 1.117 339 F CA -0.370 57.496 58.000 -0.224 0.000 1.037 339 F CB 1.315 40.212 39.000 -0.172 0.000 1.192 339 F HN 0.469 nan 8.300 nan 0.000 0.452 340 E N 2.610 122.878 120.200 0.112 0.000 2.372 340 E HA 0.217 4.567 4.350 0.000 0.000 0.279 340 E C -1.277 175.380 176.600 0.095 0.000 0.946 340 E CA -1.046 55.413 56.400 0.098 0.000 0.769 340 E CB 1.838 31.654 29.700 0.194 0.000 1.230 340 E HN 0.432 nan 8.360 nan 0.000 0.442 341 K N 0.888 121.325 120.400 0.062 0.000 2.395 341 K HA 0.166 4.486 4.320 0.000 0.000 0.283 341 K C 0.723 177.352 176.600 0.047 0.000 1.068 341 K CA 1.293 57.608 56.287 0.046 0.000 1.039 341 K CB 0.314 32.830 32.500 0.028 0.000 0.924 341 K HN 0.802 nan 8.250 nan 0.000 0.468 342 G N 3.118 111.946 108.800 0.046 0.000 2.184 342 G HA2 -0.350 3.610 3.960 0.000 0.000 0.264 342 G HA3 -0.350 3.610 3.960 0.000 0.000 0.264 342 G C 0.240 175.164 174.900 0.040 0.000 0.975 342 G CA 0.474 45.597 45.100 0.038 0.000 0.642 342 G HN 0.755 nan 8.290 nan 0.000 0.536 343 N N 0.307 119.041 118.700 0.058 0.000 2.646 343 N HA 0.276 5.016 4.740 0.000 0.000 0.303 343 N C -1.283 174.284 175.510 0.096 0.000 1.921 343 N CA -0.471 52.611 53.050 0.053 0.000 0.872 343 N CB 0.470 38.984 38.487 0.045 0.000 1.327 343 N HN 0.058 nan 8.380 nan 0.000 0.492 344 D N 1.642 122.080 120.400 0.063 0.000 2.336 344 D HA 0.246 4.886 4.640 0.000 0.000 0.249 344 D C -0.298 175.959 176.300 -0.071 0.000 1.213 344 D CA 0.389 54.405 54.000 0.027 0.000 0.870 344 D CB 1.050 41.883 40.800 0.054 0.000 1.076 344 D HN 0.355 nan 8.370 nan 0.000 0.483 345 L N 1.493 122.635 121.223 -0.136 0.000 2.341 345 L HA 0.584 4.924 4.340 0.000 0.000 0.267 345 L C -0.457 176.164 176.870 -0.415 0.000 1.009 345 L CA -1.245 53.443 54.840 -0.253 0.000 0.819 345 L CB 2.191 44.112 42.059 -0.231 0.000 1.323 345 L HN -0.039 nan 8.230 nan 0.000 0.425 346 V N 2.547 122.060 119.914 -0.669 0.000 2.409 346 V HA 0.327 4.447 4.120 0.000 0.000 0.291 346 V C -0.325 175.164 176.094 -1.008 0.000 1.020 346 V CA -0.540 61.238 62.300 -0.871 0.000 0.848 346 V CB 1.766 32.921 31.823 -1.114 0.000 0.990 346 V HN 0.447 nan 8.190 nan 0.000 0.430 347 L N 5.010 125.859 121.223 -0.623 0.000 2.278 347 L HA 0.757 5.097 4.340 0.000 0.000 0.287 347 L C 0.715 177.332 176.870 -0.421 0.000 1.072 347 L CA 0.648 55.211 54.840 -0.462 0.000 0.819 347 L CB 0.621 42.512 42.059 -0.280 0.000 1.176 347 L HN 0.761 nan 8.230 nan 0.000 0.435 348 G N 2.760 111.373 108.800 -0.311 0.000 2.389 348 G HA2 0.599 4.559 3.960 0.000 0.000 0.317 348 G HA3 0.599 4.559 3.960 0.000 0.000 0.317 348 G C -0.730 174.137 174.900 -0.055 0.000 1.137 348 G CA 0.098 45.196 45.100 -0.004 0.000 0.870 348 G HN 0.751 nan 8.290 nan 0.000 0.496 349 S N -0.290 115.374 115.700 -0.060 0.000 3.047 349 S HA 0.598 5.068 4.470 0.000 0.000 0.308 349 S C -1.520 173.064 174.600 -0.028 0.000 1.245 349 S CA -0.557 57.592 58.200 -0.084 0.000 1.109 349 S CB 0.762 63.900 63.200 -0.104 0.000 1.417 349 S HN 0.934 nan 8.310 nan 0.000 0.555 350 H N -0.312 118.688 119.070 -0.116 0.000 2.917 350 H HA 0.309 4.865 4.556 0.000 0.000 0.299 350 H C 0.766 176.082 175.328 -0.021 0.000 1.418 350 H CA 0.178 56.191 56.048 -0.058 0.000 1.138 350 H CB 1.010 30.744 29.762 -0.047 0.000 1.830 350 H HN 0.677 nan 8.280 nan 0.000 0.514 351 M N 0.645 120.181 119.600 -0.107 0.000 2.190 351 M HA -0.285 4.195 4.480 0.000 0.000 0.252 351 M C 0.531 176.887 176.300 0.092 0.000 1.076 351 M CA 2.901 58.214 55.300 0.022 0.000 1.079 351 M CB 0.009 32.680 32.600 0.120 0.000 1.303 351 M HN 0.584 nan 8.290 nan 0.000 0.412 352 L N -4.071 117.274 121.223 0.203 0.000 1.998 352 L HA 0.108 4.449 4.340 0.000 0.000 0.194 352 L C -0.159 176.773 176.870 0.102 0.000 1.198 352 L CA -0.443 54.459 54.840 0.102 0.000 1.134 352 L CB 0.167 42.275 42.059 0.082 0.000 2.366 352 L HN -0.131 nan 8.230 nan 0.000 0.504 353 E N 2.498 122.801 120.200 0.171 0.000 1.800 353 E HA 0.195 4.545 4.350 0.000 0.000 0.262 353 E C -0.819 175.883 176.600 0.169 0.000 1.219 353 E CA 0.216 56.696 56.400 0.132 0.000 1.051 353 E CB 0.209 30.039 29.700 0.218 0.000 1.074 353 E HN -0.042 nan 8.360 nan 0.000 0.433 354 V N 2.662 122.637 119.914 0.101 0.000 2.487 354 V HA 0.130 4.250 4.120 0.000 0.000 0.298 354 V C -0.098 176.154 176.094 0.264 0.000 1.028 354 V CA -1.235 61.131 62.300 0.109 0.000 0.860 354 V CB 1.836 33.626 31.823 -0.054 0.000 0.991 354 V HN 0.729 nan 8.190 nan 0.000 0.427 355 C N 8.743 128.191 119.300 0.248 0.000 2.627 355 C HA 0.300 4.760 4.460 0.000 0.000 0.404 355 C C -0.341 174.777 174.990 0.213 0.000 1.340 355 C CA -1.106 58.040 59.018 0.214 0.000 1.758 355 C CB 0.299 28.134 27.740 0.159 0.000 2.501 355 C HN 0.818 nan 8.230 nan 0.000 0.588 356 P HA -0.074 nan 4.420 nan 0.000 0.239 356 P C 1.323 178.441 177.300 -0.304 0.000 1.184 356 P CA 1.301 64.109 63.100 -0.486 0.000 0.760 356 P CB -0.174 31.281 31.700 -0.409 0.000 0.884 357 S N -0.553 115.095 115.700 -0.087 0.000 2.447 357 S HA -0.113 4.357 4.470 0.000 0.000 0.233 357 S C 1.883 176.482 174.600 -0.001 0.000 1.006 357 S CA 1.253 59.433 58.200 -0.033 0.000 0.957 357 S CB -1.574 61.642 63.200 0.027 0.000 0.773 357 S HN 0.166 nan 8.310 nan 0.000 0.507 358 I N 0.373 120.960 120.570 0.029 0.000 3.875 358 I HA 0.809 4.979 4.170 0.000 0.000 0.329 358 I C 1.310 177.472 176.117 0.076 0.000 1.295 358 I CA -0.089 61.284 61.300 0.122 0.000 1.129 358 I CB -1.618 36.481 38.000 0.166 0.000 1.008 358 I HN 0.707 nan 8.210 nan 0.000 0.413 359 A N -0.616 122.135 122.820 -0.114 0.000 2.249 359 A HA 0.831 5.152 4.320 0.000 0.000 0.281 359 A C 1.434 178.981 177.584 -0.063 0.000 1.127 359 A CA 0.734 52.679 52.037 -0.153 0.000 0.833 359 A CB 0.411 18.973 19.000 -0.731 0.000 1.140 359 A HN 1.405 nan 8.150 nan 0.000 0.502 360 V N -1.006 118.894 119.914 -0.023 0.000 2.870 360 V HA 0.288 4.408 4.120 0.000 0.000 0.232 360 V C 1.122 177.200 176.094 -0.028 0.000 1.161 360 V CA 1.325 63.617 62.300 -0.012 0.000 1.204 360 V CB -0.999 30.837 31.823 0.021 0.000 1.003 360 V HN 0.770 nan 8.190 nan 0.000 0.499 361 E N 1.416 121.611 120.200 -0.009 0.000 3.638 361 E HA 0.516 4.866 4.350 0.000 0.000 0.289 361 E C 0.406 176.987 176.600 -0.032 0.000 1.464 361 E CA 0.461 56.856 56.400 -0.009 0.000 1.396 361 E CB -0.123 29.587 29.700 0.017 0.000 1.303 361 E HN 0.634 nan 8.360 nan 0.000 0.785 362 E N -0.172 120.018 120.200 -0.016 0.000 2.167 362 E HA 0.510 4.861 4.350 0.000 0.000 0.284 362 E C -0.240 176.365 176.600 0.008 0.000 1.016 362 E CA -0.430 55.958 56.400 -0.020 0.000 0.817 362 E CB -0.084 29.610 29.700 -0.011 0.000 1.080 362 E HN 0.457 nan 8.360 nan 0.000 0.397 363 K N 3.670 124.076 120.400 0.010 0.000 2.298 363 K HA 0.526 4.846 4.320 0.000 0.000 0.280 363 K C -2.448 174.199 176.600 0.078 0.000 1.032 363 K CA -1.575 54.766 56.287 0.090 0.000 0.958 363 K CB -0.051 32.550 32.500 0.168 0.000 0.978 363 K HN 0.531 nan 8.250 nan 0.000 0.472 364 P HA 0.217 nan 4.420 nan 0.000 0.266 364 P C -0.429 176.911 177.300 0.067 0.000 1.195 364 P CA 0.084 63.219 63.100 0.059 0.000 0.768 364 P CB 0.689 32.417 31.700 0.046 0.000 0.838 365 I N 1.567 122.166 120.570 0.048 0.000 2.390 365 I HA 0.710 4.880 4.170 0.000 0.000 0.283 365 I C -0.130 176.005 176.117 0.029 0.000 1.016 365 I CA -0.902 60.425 61.300 0.044 0.000 1.151 365 I CB 0.430 38.453 38.000 0.037 0.000 1.293 365 I HN 0.443 nan 8.210 nan 0.000 0.458 366 L N 2.398 123.636 121.223 0.025 0.000 2.333 366 L HA 0.986 5.326 4.340 0.000 0.000 0.263 366 L C 0.356 177.234 176.870 0.012 0.000 1.014 366 L CA -0.003 54.847 54.840 0.017 0.000 0.820 366 L CB 1.274 43.340 42.059 0.013 0.000 1.352 366 L HN 1.146 nan 8.230 nan 0.000 0.421 367 D N -0.328 120.079 120.400 0.011 0.000 2.643 367 D HA 0.432 5.072 4.640 0.000 0.000 0.244 367 D C 1.227 177.534 176.300 0.012 0.000 1.257 367 D CA 0.757 54.763 54.000 0.009 0.000 0.831 367 D CB 0.680 41.485 40.800 0.009 0.000 1.043 367 D HN 0.690 nan 8.370 nan 0.000 0.488 368 V N -0.333 119.588 119.914 0.010 0.000 2.353 368 V HA -0.210 3.910 4.120 0.000 0.000 0.260 368 V C 1.163 177.268 176.094 0.018 0.000 1.091 368 V CA 2.117 64.424 62.300 0.011 0.000 1.088 368 V CB -0.264 31.561 31.823 0.003 0.000 0.672 368 V HN 0.701 nan 8.190 nan 0.000 0.455 369 Q N -2.839 116.974 119.800 0.022 0.000 2.553 369 Q HA 0.359 4.699 4.340 0.000 0.000 0.293 369 Q C -0.571 175.466 176.000 0.061 0.000 1.038 369 Q CA -0.720 55.109 55.803 0.044 0.000 0.777 369 Q CB 1.730 30.488 28.738 0.033 0.000 1.487 369 Q HN 0.490 nan 8.270 nan 0.000 0.426 370 H N 2.101 121.160 119.070 -0.018 0.000 2.846 370 H HA 0.229 4.785 4.556 0.000 0.000 0.278 370 H C -1.267 174.046 175.328 -0.026 0.000 1.117 370 H CA 0.003 56.040 56.048 -0.018 0.000 1.406 370 H CB 0.162 29.913 29.762 -0.017 0.000 1.445 370 H HN 0.486 nan 8.280 nan 0.000 0.469 371 L N 5.542 126.577 121.223 -0.312 0.000 2.295 371 L HA 0.199 4.539 4.340 0.000 0.000 0.288 371 L C 1.356 177.956 176.870 -0.451 0.000 1.079 371 L CA -0.196 54.480 54.840 -0.273 0.000 0.830 371 L CB 0.696 42.661 42.059 -0.156 0.000 1.200 371 L HN 0.872 nan 8.230 nan 0.000 0.438 372 G N 5.002 113.580 108.800 -0.370 0.000 2.813 372 G HA2 0.045 4.005 3.960 0.000 0.000 0.209 372 G HA3 0.045 4.005 3.960 0.000 0.000 0.209 372 G C 0.927 175.749 174.900 -0.130 0.000 1.150 372 G CA -0.167 44.787 45.100 -0.243 0.000 0.785 372 G HN 0.489 nan 8.290 nan 0.000 0.535 373 I N 0.526 120.993 120.570 -0.172 0.000 2.556 373 I HA 0.151 4.321 4.170 0.000 0.000 0.177 373 I C 1.785 177.857 176.117 -0.075 0.000 1.387 373 I CA 0.002 61.186 61.300 -0.193 0.000 0.595 373 I CB -0.073 37.644 38.000 -0.472 0.000 1.857 373 I HN 0.048 nan 8.210 nan 0.000 1.071 374 G N 0.287 109.119 108.800 0.053 0.000 3.003 374 G HA2 0.444 4.404 3.960 0.000 0.000 0.266 374 G HA3 0.444 4.404 3.960 0.000 0.000 0.266 374 G C 0.023 174.974 174.900 0.086 0.000 0.755 374 G CA 0.435 45.649 45.100 0.189 0.000 2.061 374 G HN 0.931 nan 8.290 nan 0.000 0.599 375 G N -1.131 107.673 108.800 0.006 0.000 2.529 375 G HA2 0.696 4.656 3.960 0.000 0.000 0.238 375 G HA3 0.696 4.656 3.960 0.000 0.000 0.238 375 G C -0.076 174.797 174.900 -0.045 0.000 1.207 375 G CA 0.717 45.801 45.100 -0.025 0.000 0.928 375 G HN 0.722 nan 8.290 nan 0.000 0.495 376 K N -0.913 119.457 120.400 -0.050 0.000 3.654 376 K HA 0.614 4.934 4.320 0.000 0.000 0.263 376 K C 0.148 176.721 176.600 -0.045 0.000 1.476 376 K CA 0.795 57.060 56.287 -0.038 0.000 1.369 376 K CB -0.750 nan 32.500 nan 0.000 2.428 376 K HN 0.532 nan 8.250 nan 0.000 0.520 377 D N 2.330 122.712 120.400 -0.030 0.000 2.360 377 D HA 0.258 4.898 4.640 0.000 0.000 0.242 377 D C -0.791 175.485 176.300 -0.040 0.000 1.184 377 D CA 0.004 53.991 54.000 -0.021 0.000 0.930 377 D CB 0.654 41.448 40.800 -0.009 0.000 1.161 377 D HN 0.554 nan 8.370 nan 0.000 0.447 378 D N 0.402 120.789 120.400 -0.022 0.000 2.401 378 D HA 0.182 4.823 4.640 0.000 0.000 0.254 378 D C -2.427 173.863 176.300 -0.016 0.000 1.192 378 D CA -1.415 52.571 54.000 -0.023 0.000 0.885 378 D CB -0.116 40.690 40.800 0.010 0.000 1.147 378 D HN 0.009 nan 8.370 nan 0.000 0.478 379 P HA 0.305 nan 4.420 nan 0.000 0.282 379 P C -0.592 176.706 177.300 -0.003 0.000 1.249 379 P CA -0.729 62.365 63.100 -0.010 0.000 0.806 379 P CB 1.074 32.769 31.700 -0.008 0.000 0.984 380 A N 2.012 124.832 122.820 0.000 0.000 2.366 380 A HA 0.697 5.017 4.320 0.000 0.000 0.249 380 A C 0.628 178.217 177.584 0.009 0.000 1.084 380 A CA 0.145 52.185 52.037 0.006 0.000 0.794 380 A CB -0.219 18.785 19.000 0.006 0.000 1.034 380 A HN 0.887 nan 8.150 nan 0.000 0.491 381 R N 0.045 120.555 120.500 0.016 0.000 2.728 381 R HA 0.669 5.009 4.340 0.000 0.000 0.274 381 R C -1.782 174.545 176.300 0.046 0.000 1.030 381 R CA -0.501 55.614 56.100 0.025 0.000 0.876 381 R CB 0.471 30.777 30.300 0.009 0.000 1.259 381 R HN 0.865 nan 8.270 nan 0.000 0.468 382 L N 1.830 123.103 121.223 0.083 0.000 2.296 382 L HA 0.647 4.987 4.340 0.000 0.000 0.286 382 L C -0.340 176.598 176.870 0.115 0.000 1.023 382 L CA -0.788 54.151 54.840 0.165 0.000 0.812 382 L CB 1.605 43.841 42.059 0.295 0.000 1.223 382 L HN 0.593 nan 8.230 nan 0.000 0.421 383 I N 4.661 125.291 120.570 0.099 0.000 2.336 383 I HA 0.489 4.659 4.170 0.000 0.000 0.292 383 I C -0.606 175.576 176.117 0.110 0.000 0.991 383 I CA -0.419 60.862 61.300 -0.031 0.000 1.227 383 I CB 0.941 38.930 38.000 -0.019 0.000 1.366 383 I HN 0.457 nan 8.210 nan 0.000 0.466 384 F N 4.125 124.066 119.950 -0.016 0.000 2.807 384 F HA 0.513 5.040 4.527 0.000 0.000 0.316 384 F C -1.453 174.333 175.800 -0.024 0.000 1.162 384 F CA -1.240 56.751 58.000 -0.016 0.000 0.910 384 F CB 0.829 39.822 39.000 -0.012 0.000 1.314 384 F HN 0.182 nan 8.300 nan 0.000 0.454 385 N N 0.305 119.149 118.700 0.240 0.000 2.472 385 N HA 0.542 5.282 4.740 0.000 0.000 0.289 385 N C -0.870 174.784 175.510 0.241 0.000 1.156 385 N CA -0.432 52.700 53.050 0.138 0.000 0.940 385 N CB 1.950 40.480 38.487 0.072 0.000 1.200 385 N HN 0.747 nan 8.380 nan 0.000 0.511 386 T N 0.900 115.540 114.554 0.143 0.000 2.918 386 T HA 0.202 4.552 4.350 0.000 0.000 0.283 386 T C 0.559 175.349 174.700 0.149 0.000 1.001 386 T CA -0.687 61.502 62.100 0.148 0.000 1.041 386 T CB 0.904 69.791 68.868 0.032 0.000 1.028 386 T HN 0.194 nan 8.240 nan 0.000 0.511 387 Q N 1.176 121.089 119.800 0.188 0.000 2.492 387 Q HA 0.220 4.560 4.340 0.000 0.000 0.238 387 Q C 0.120 176.212 176.000 0.153 0.000 1.045 387 Q CA 0.278 56.145 55.803 0.107 0.000 0.934 387 Q CB 0.350 29.067 28.738 -0.035 0.000 1.276 387 Q HN 0.587 nan 8.270 nan 0.000 0.521 388 T N 0.097 114.677 114.554 0.044 0.000 2.909 388 T HA 0.672 5.022 4.350 0.000 0.000 0.286 388 T C 0.183 174.890 174.700 0.013 0.000 1.002 388 T CA 0.193 62.342 62.100 0.081 0.000 1.074 388 T CB 1.276 70.172 68.868 0.047 0.000 0.984 388 T HN 0.787 nan 8.240 nan 0.000 0.495 389 G N 2.570 111.451 108.800 0.134 0.000 2.353 389 G HA2 0.193 4.153 3.960 0.000 0.000 0.424 389 G HA3 0.193 4.153 3.960 0.000 0.000 0.424 389 G C -3.437 171.596 174.900 0.221 0.000 1.320 389 G CA -1.312 43.846 45.100 0.097 0.000 0.995 389 G HN 0.554 nan 8.290 nan 0.000 0.580 390 P HA 0.505 nan 4.420 nan 0.000 0.267 390 P C 0.085 177.453 177.300 0.114 0.000 1.205 390 P CA 0.883 64.043 63.100 0.101 0.000 0.765 390 P CB 1.328 33.058 31.700 0.051 0.000 0.828 391 A N 3.441 126.206 122.820 -0.090 0.000 2.504 391 A HA 0.912 5.232 4.320 0.000 0.000 0.285 391 A C -0.900 176.419 177.584 -0.441 0.000 1.261 391 A CA -0.739 51.051 52.037 -0.411 0.000 0.741 391 A CB 1.124 19.518 19.000 -1.009 0.000 1.327 391 A HN 0.557 nan 8.150 nan 0.000 0.441 392 I N -2.582 117.625 120.570 -0.606 0.000 2.769 392 I HA 0.820 4.990 4.170 0.000 0.000 0.298 392 I C -1.383 174.391 176.117 -0.572 0.000 1.128 392 I CA -1.137 59.895 61.300 -0.446 0.000 1.031 392 I CB 1.918 39.771 38.000 -0.245 0.000 1.235 392 I HN 0.403 nan 8.210 nan 0.000 0.423 393 V N 4.228 123.916 119.914 -0.377 0.000 2.495 393 V HA 0.918 5.038 4.120 0.000 0.000 0.298 393 V C -0.013 176.100 176.094 0.032 0.000 1.031 393 V CA -0.032 62.104 62.300 -0.274 0.000 0.871 393 V CB 1.532 33.107 31.823 -0.413 0.000 0.988 393 V HN 1.078 nan 8.190 nan 0.000 0.432 394 A N 4.380 127.244 122.820 0.073 0.000 2.479 394 A HA 0.972 5.292 4.320 0.000 0.000 0.296 394 A C -0.626 177.061 177.584 0.173 0.000 1.121 394 A CA -0.473 51.640 52.037 0.128 0.000 0.743 394 A CB 2.292 21.271 19.000 -0.035 0.000 1.323 394 A HN 1.091 nan 8.150 nan 0.000 0.415 395 S N -0.264 115.484 115.700 0.080 0.000 2.563 395 S HA 0.497 4.967 4.470 0.000 0.000 0.279 395 S C -1.976 172.597 174.600 -0.045 0.000 1.155 395 S CA -0.439 57.786 58.200 0.041 0.000 0.928 395 S CB 0.963 64.244 63.200 0.134 0.000 1.107 395 S HN 1.413 nan 8.310 nan 0.000 0.462 396 L N 6.559 127.751 121.223 -0.051 0.000 2.264 396 L HA 0.780 5.121 4.340 0.000 0.000 0.289 396 L C -0.503 176.371 176.870 0.006 0.000 1.044 396 L CA -0.238 54.587 54.840 -0.026 0.000 0.807 396 L CB 0.724 42.727 42.059 -0.094 0.000 1.192 396 L HN 0.705 nan 8.230 nan 0.000 0.425 397 I N 0.669 121.274 120.570 0.058 0.000 2.846 397 I HA 0.624 4.795 4.170 0.000 0.000 0.307 397 I C -1.101 175.105 176.117 0.148 0.000 1.053 397 I CA -0.771 60.566 61.300 0.061 0.000 1.050 397 I CB 2.028 40.018 38.000 -0.017 0.000 1.239 397 I HN 0.495 nan 8.210 nan 0.000 0.439 398 D N 4.658 125.090 120.400 0.052 0.000 2.427 398 D HA 0.343 4.983 4.640 0.000 0.000 0.226 398 D C 0.084 176.308 176.300 -0.128 0.000 1.076 398 D CA -0.520 53.407 54.000 -0.123 0.000 0.849 398 D CB 1.196 41.945 40.800 -0.085 0.000 1.052 398 D HN 0.682 nan 8.370 nan 0.000 0.515 399 L N 3.058 124.189 121.223 -0.152 0.000 2.715 399 L HA 0.387 4.727 4.340 0.000 0.000 0.238 399 L C 1.705 178.513 176.870 -0.103 0.000 1.212 399 L CA -0.103 54.678 54.840 -0.099 0.000 1.017 399 L CB -0.677 41.338 42.059 -0.074 0.000 1.269 399 L HN 0.676 nan 8.230 nan 0.000 0.452 400 G N 1.776 110.498 108.800 -0.130 0.000 3.909 400 G HA2 -0.395 3.565 3.960 0.000 0.000 0.218 400 G HA3 -0.395 3.565 3.960 0.000 0.000 0.218 400 G C 0.756 175.587 174.900 -0.115 0.000 1.404 400 G CA 0.489 45.532 45.100 -0.095 0.000 0.905 400 G HN 0.568 nan 8.290 nan 0.000 0.589 401 D N 1.410 121.746 120.400 -0.105 0.000 2.367 401 D HA 0.190 4.830 4.640 0.000 0.000 0.207 401 D C 1.253 177.483 176.300 -0.116 0.000 1.034 401 D CA 1.187 55.134 54.000 -0.088 0.000 0.861 401 D CB 0.127 40.898 40.800 -0.049 0.000 0.943 401 D HN 1.004 nan 8.370 nan 0.000 0.515 402 R N -2.228 118.165 120.500 -0.179 0.000 2.826 402 R HA 0.480 4.820 4.340 0.000 0.000 0.269 402 R C -1.621 174.498 176.300 -0.302 0.000 1.031 402 R CA -0.917 55.074 56.100 -0.182 0.000 0.900 402 R CB 0.400 30.669 30.300 -0.052 0.000 1.318 402 R HN -0.142 nan 8.270 nan 0.000 0.447 403 Y N -0.261 120.045 120.300 0.011 0.000 2.487 403 Y HA 0.604 5.154 4.550 0.000 0.000 0.337 403 Y C 0.006 175.889 175.900 -0.029 0.000 1.076 403 Y CA -0.812 57.316 58.100 0.047 0.000 1.115 403 Y CB 2.103 40.679 38.460 0.194 0.000 1.235 403 Y HN 0.475 nan 8.280 nan 0.000 0.468 404 R N 2.428 123.019 120.500 0.151 0.000 2.628 404 R HA 0.612 4.952 4.340 0.000 0.000 0.288 404 R C -2.244 174.080 176.300 0.041 0.000 0.980 404 R CA -0.978 55.136 56.100 0.024 0.000 0.891 404 R CB 1.312 31.586 30.300 -0.044 0.000 1.188 404 R HN 0.678 nan 8.270 nan 0.000 0.450 405 L N 5.655 126.895 121.223 0.029 0.000 2.277 405 L HA 0.398 4.738 4.340 0.000 0.000 0.284 405 L C -1.579 175.270 176.870 -0.035 0.000 1.028 405 L CA -0.442 54.416 54.840 0.029 0.000 0.835 405 L CB 1.100 43.233 42.059 0.124 0.000 1.215 405 L HN 0.589 nan 8.230 nan 0.000 0.425 406 L N 5.858 127.001 121.223 -0.133 0.000 2.290 406 L HA 0.536 4.877 4.340 0.000 0.000 0.284 406 L C -0.339 176.482 176.870 -0.082 0.000 1.078 406 L CA -0.013 54.691 54.840 -0.227 0.000 0.815 406 L CB 1.478 43.118 42.059 -0.699 0.000 1.162 406 L HN 0.295 nan 8.230 nan 0.000 0.435 407 V N 2.940 122.884 119.914 0.051 0.000 2.482 407 V HA 0.409 4.530 4.120 0.000 0.000 0.295 407 V C -0.655 175.562 176.094 0.205 0.000 1.026 407 V CA -0.653 61.726 62.300 0.131 0.000 0.856 407 V CB 1.907 33.768 31.823 0.064 0.000 1.001 407 V HN 0.726 nan 8.190 nan 0.000 0.424 408 N N 3.242 122.107 118.700 0.274 0.000 2.446 408 N HA 0.381 5.121 4.740 0.000 0.000 0.265 408 N C -0.484 175.038 175.510 0.021 0.000 0.975 408 N CA -0.275 52.890 53.050 0.192 0.000 0.928 408 N CB 1.187 39.824 38.487 0.248 0.000 1.160 408 N HN 0.667 nan 8.380 nan 0.000 0.495 409 C N 5.104 124.413 119.300 0.016 0.000 2.629 409 C HA 0.459 4.919 4.460 0.000 0.000 0.410 409 C C 1.007 175.973 174.990 -0.039 0.000 1.339 409 C CA -0.651 58.346 59.018 -0.034 0.000 1.810 409 C CB -2.067 25.674 27.740 0.002 0.000 2.549 409 C HN 0.635 nan 8.230 nan 0.000 0.589 410 I N 0.079 120.586 120.570 -0.105 0.000 3.322 410 I HA 0.721 4.892 4.170 0.000 0.000 0.313 410 I C -1.096 175.025 176.117 0.007 0.000 1.129 410 I CA -0.599 60.671 61.300 -0.050 0.000 0.963 410 I CB 2.091 39.931 38.000 -0.268 0.000 1.273 410 I HN 0.312 nan 8.210 nan 0.000 0.473 411 D N 2.273 122.751 120.400 0.130 0.000 2.479 411 D HA 0.243 4.883 4.640 0.000 0.000 0.246 411 D C -0.730 175.722 176.300 0.255 0.000 1.336 411 D CA -0.129 53.964 54.000 0.155 0.000 0.967 411 D CB 2.286 43.157 40.800 0.120 0.000 1.275 411 D HN 0.757 nan 8.370 nan 0.000 0.577 412 T N -1.087 113.652 114.554 0.308 0.000 2.856 412 T HA 0.502 4.852 4.350 0.000 0.000 0.306 412 T C 0.616 175.451 174.700 0.225 0.000 1.062 412 T CA -0.547 61.764 62.100 0.353 0.000 1.083 412 T CB 1.323 70.457 68.868 0.443 0.000 0.984 412 T HN 0.228 nan 8.240 nan 0.000 0.542 413 V N -4.038 115.977 119.914 0.169 0.000 3.048 413 V HA 0.896 5.016 4.120 0.000 0.000 0.303 413 V C -0.176 175.950 176.094 0.053 0.000 1.214 413 V CA -1.453 60.900 62.300 0.089 0.000 0.984 413 V CB 0.730 32.586 31.823 0.055 0.000 1.054 413 V HN 1.280 nan 8.190 nan 0.000 0.430 414 K N 0.812 121.231 120.400 0.031 0.000 2.436 414 K HA 0.568 4.888 4.320 0.000 0.000 0.275 414 K C 0.624 177.214 176.600 -0.018 0.000 0.999 414 K CA 0.342 56.636 56.287 0.012 0.000 0.980 414 K CB -0.036 32.469 32.500 0.008 0.000 0.919 414 K HN 1.878 nan 8.250 nan 0.000 0.484 415 T N 0.875 115.412 114.554 -0.028 0.000 2.817 415 T HA 0.231 4.581 4.350 0.000 0.000 0.295 415 T C -0.976 173.687 174.700 -0.061 0.000 0.958 415 T CA -0.842 61.222 62.100 -0.059 0.000 1.157 415 T CB 0.844 69.677 68.868 -0.058 0.000 0.898 415 T HN 0.583 nan 8.240 nan 0.000 0.536 416 P HA 0.047 nan 4.420 nan 0.000 0.228 416 P C 0.624 177.886 177.300 -0.063 0.000 1.151 416 P CA 1.412 64.465 63.100 -0.078 0.000 0.770 416 P CB -0.316 31.314 31.700 -0.116 0.000 0.786 417 H N -2.416 116.616 119.070 -0.064 0.000 3.008 417 H HA 0.585 5.141 4.556 0.000 0.000 0.354 417 H C -0.119 175.183 175.328 -0.043 0.000 1.252 417 H CA -0.660 55.361 56.048 -0.047 0.000 1.117 417 H CB 0.572 30.307 29.762 -0.044 0.000 1.857 417 H HN -0.137 nan 8.280 nan 0.000 0.547 418 S N -0.342 115.339 115.700 -0.032 0.000 2.569 418 S HA 0.333 4.803 4.470 0.000 0.000 0.274 418 S C 0.328 174.906 174.600 -0.036 0.000 1.353 418 S CA -0.112 58.070 58.200 -0.029 0.000 1.023 418 S CB -0.054 63.133 63.200 -0.021 0.000 0.876 418 S HN 0.541 nan 8.310 nan 0.000 0.540 419 L N 2.776 123.977 121.223 -0.037 0.000 2.556 419 L HA 0.291 4.631 4.340 0.000 0.000 0.243 419 L C -1.695 175.153 176.870 -0.038 0.000 1.331 419 L CA -1.071 53.743 54.840 -0.044 0.000 0.927 419 L CB 0.943 42.967 42.059 -0.059 0.000 1.219 419 L HN 0.506 nan 8.230 nan 0.000 0.490 420 P HA -0.008 nan 4.420 nan 0.000 0.227 420 P C 1.103 178.388 177.300 -0.025 0.000 1.161 420 P CA 0.671 63.757 63.100 -0.024 0.000 0.788 420 P CB 0.298 31.987 31.700 -0.019 0.000 0.822 421 K N -0.489 119.894 120.400 -0.029 0.000 2.358 421 K HA 0.255 4.575 4.320 0.000 0.000 0.200 421 K C 0.440 177.019 176.600 -0.034 0.000 1.030 421 K CA -0.160 56.110 56.287 -0.027 0.000 1.097 421 K CB -0.582 31.902 32.500 -0.025 0.000 0.862 421 K HN 0.063 nan 8.250 nan 0.000 0.534 422 L N 2.037 123.234 121.223 -0.044 0.000 2.261 422 L HA 0.397 4.737 4.340 0.000 0.000 0.289 422 L C -1.942 174.894 176.870 -0.057 0.000 1.059 422 L CA -2.209 52.598 54.840 -0.056 0.000 0.816 422 L CB 1.788 43.804 42.059 -0.072 0.000 1.191 422 L HN -0.000 nan 8.230 nan 0.000 0.431 423 P HA 0.102 nan 4.420 nan 0.000 0.256 423 P C -0.661 176.602 177.300 -0.063 0.000 1.384 423 P CA 0.205 63.278 63.100 -0.045 0.000 0.879 423 P CB 0.316 32.000 31.700 -0.027 0.000 1.403 424 V N -0.134 119.725 119.914 -0.091 0.000 2.864 424 V HA 0.667 4.787 4.120 0.000 0.000 0.314 424 V C 0.431 176.398 176.094 -0.212 0.000 1.073 424 V CA -1.542 60.682 62.300 -0.127 0.000 0.956 424 V CB 1.645 33.407 31.823 -0.101 0.000 1.023 424 V HN 0.073 nan 8.190 nan 0.000 0.435 425 A N 3.055 125.666 122.820 -0.349 0.000 2.483 425 A HA 0.529 4.850 4.320 0.000 0.000 0.238 425 A C 0.139 177.468 177.584 -0.426 0.000 1.070 425 A CA 0.081 51.742 52.037 -0.626 0.000 0.770 425 A CB -0.361 17.800 19.000 -1.398 0.000 1.008 425 A HN 1.191 nan 8.150 nan 0.000 0.497 426 N N -0.066 118.416 118.700 -0.364 0.000 2.225 426 N HA 0.684 5.424 4.740 0.000 0.000 0.298 426 N C -0.780 174.635 175.510 -0.158 0.000 1.076 426 N CA -0.200 52.721 53.050 -0.215 0.000 0.792 426 N CB 2.113 40.501 38.487 -0.164 0.000 1.498 426 N HN 0.725 nan 8.380 nan 0.000 0.474 427 A N 1.536 124.291 122.820 -0.108 0.000 2.330 427 A HA 0.845 5.165 4.320 0.000 0.000 0.329 427 A C -1.048 176.547 177.584 0.017 0.000 1.135 427 A CA -0.791 51.226 52.037 -0.033 0.000 0.817 427 A CB 0.983 19.923 19.000 -0.100 0.000 1.269 427 A HN 0.710 nan 8.150 nan 0.000 0.469 428 L N 1.268 122.560 121.223 0.115 0.000 2.596 428 L HA 0.522 4.862 4.340 0.000 0.000 0.265 428 L C -1.613 175.348 176.870 0.152 0.000 0.962 428 L CA -0.222 54.590 54.840 -0.047 0.000 0.891 428 L CB 1.274 43.275 42.059 -0.097 0.000 1.248 428 L HN 1.023 nan 8.230 nan 0.000 0.410 429 W N 2.968 124.249 121.300 -0.031 0.000 2.992 429 W HA 0.852 5.512 4.660 0.000 0.000 0.342 429 W C -0.883 175.624 176.519 -0.020 0.000 1.176 429 W CA -0.963 56.387 57.345 0.008 0.000 1.118 429 W CB 1.183 30.683 29.460 0.067 0.000 1.457 429 W HN 0.378 nan 8.180 nan 0.000 0.573 430 K N 1.244 121.782 120.400 0.230 0.000 2.347 430 K HA 0.765 5.085 4.320 0.000 0.000 0.262 430 K C -0.249 176.487 176.600 0.227 0.000 1.052 430 K CA -0.357 56.002 56.287 0.120 0.000 0.946 430 K CB 0.453 32.999 32.500 0.077 0.000 1.220 430 K HN 1.137 nan 8.250 nan 0.000 0.450 431 A N 2.598 125.560 122.820 0.238 0.000 2.498 431 A HA 0.270 4.590 4.320 0.000 0.000 0.239 431 A C 0.731 178.388 177.584 0.121 0.000 1.068 431 A CA -0.040 52.141 52.037 0.240 0.000 0.766 431 A CB 0.017 19.128 19.000 0.186 0.000 1.003 431 A HN 0.872 nan 8.150 nan 0.000 0.497 432 Q N 2.183 122.039 119.800 0.094 0.000 2.713 432 Q HA 0.009 4.349 4.340 0.000 0.000 0.200 432 Q C -0.908 175.122 176.000 0.050 0.000 1.194 432 Q CA -0.213 55.628 55.803 0.063 0.000 1.240 432 Q CB -0.455 28.313 28.738 0.051 0.000 1.902 432 Q HN 0.623 nan 8.270 nan 0.000 0.655 433 P HA -0.268 nan 4.420 nan 0.000 0.227 433 P C -0.390 176.929 177.300 0.031 0.000 1.106 433 P CA 2.111 65.228 63.100 0.028 0.000 0.998 433 P CB -0.116 31.590 31.700 0.011 0.000 0.769 434 D N -4.596 115.822 120.400 0.029 0.000 2.653 434 D HA 0.075 4.715 4.640 0.000 0.000 0.258 434 D C 0.606 176.928 176.300 0.036 0.000 1.252 434 D CA -0.755 53.266 54.000 0.035 0.000 0.777 434 D CB 0.970 41.789 40.800 0.032 0.000 1.339 434 D HN -0.139 nan 8.370 nan 0.000 0.422 435 L N 0.880 122.129 121.223 0.043 0.000 2.042 435 L HA -0.001 4.340 4.340 0.000 0.000 0.210 435 L C -1.070 175.838 176.870 0.064 0.000 1.076 435 L CA 2.141 57.007 54.840 0.042 0.000 0.749 435 L CB -1.624 40.455 42.059 0.033 0.000 0.893 435 L HN 0.333 nan 8.230 nan 0.000 0.432 436 P HA -0.084 nan 4.420 nan 0.000 0.215 436 P C 1.575 178.891 177.300 0.028 0.000 1.157 436 P CA 1.832 64.967 63.100 0.059 0.000 0.863 436 P CB -0.173 31.550 31.700 0.038 0.000 0.787 437 T N -0.606 113.954 114.554 0.010 0.000 2.812 437 T HA -0.036 4.314 4.350 0.000 0.000 0.264 437 T C 1.942 176.616 174.700 -0.045 0.000 1.042 437 T CA 1.462 63.548 62.100 -0.025 0.000 1.140 437 T CB -0.901 67.949 68.868 -0.030 0.000 0.870 437 T HN 0.028 nan 8.240 nan 0.000 0.445 438 A N 2.064 124.879 122.820 -0.008 0.000 1.898 438 A HA -0.091 4.229 4.320 0.000 0.000 0.216 438 A C 2.590 180.216 177.584 0.070 0.000 1.181 438 A CA 2.041 54.088 52.037 0.017 0.000 0.620 438 A CB -0.818 18.209 19.000 0.045 0.000 0.819 438 A HN 0.592 nan 8.150 nan 0.000 0.442 439 S N -0.312 115.423 115.700 0.058 0.000 2.387 439 S HA -0.123 4.347 4.470 0.000 0.000 0.226 439 S C 1.684 176.359 174.600 0.125 0.000 1.026 439 S CA 1.242 59.494 58.200 0.087 0.000 0.972 439 S CB -0.328 62.903 63.200 0.051 0.000 0.814 439 S HN 0.633 nan 8.310 nan 0.000 0.477 440 E N 1.999 122.238 120.200 0.066 0.000 2.017 440 E HA 0.008 4.358 4.350 0.000 0.000 0.193 440 E C 2.509 179.137 176.600 0.046 0.000 0.997 440 E CA 1.077 57.509 56.400 0.052 0.000 0.804 440 E CB -0.556 29.153 29.700 0.015 0.000 0.757 440 E HN 0.615 nan 8.360 nan 0.000 0.448 441 A N 1.520 124.294 122.820 -0.076 0.000 1.927 441 A HA -0.244 4.077 4.320 0.000 0.000 0.220 441 A C 1.983 179.585 177.584 0.030 0.000 1.185 441 A CA 1.619 53.483 52.037 -0.289 0.000 0.639 441 A CB -1.142 17.378 19.000 -0.799 0.000 0.820 441 A HN 0.616 nan 8.150 nan 0.000 0.451 442 W N 0.238 121.508 121.300 -0.050 0.000 2.388 442 W HA -0.125 4.535 4.660 0.000 0.000 0.294 442 W C 1.792 178.353 176.519 0.070 0.000 1.212 442 W CA 1.723 59.094 57.345 0.045 0.000 1.271 442 W CB -0.224 29.261 29.460 0.041 0.000 1.126 442 W HN 0.372 nan 8.180 nan 0.000 0.535 443 I N 0.141 120.881 120.570 0.284 0.000 2.277 443 I HA -0.304 3.866 4.170 0.000 0.000 0.243 443 I C 2.563 178.744 176.117 0.107 0.000 1.094 443 I CA 0.759 62.170 61.300 0.184 0.000 1.393 443 I CB -0.806 37.286 38.000 0.153 0.000 1.078 443 I HN -0.179 nan 8.210 nan 0.000 0.417 444 L N 0.917 122.213 121.223 0.120 0.000 1.990 444 L HA -0.161 4.180 4.340 0.000 0.000 0.213 444 L C 1.548 178.484 176.870 0.110 0.000 1.072 444 L CA 0.864 55.777 54.840 0.121 0.000 0.755 444 L CB -0.557 41.609 42.059 0.178 0.000 0.889 444 L HN 0.207 nan 8.230 nan 0.000 0.432 445 A N 0.270 123.189 122.820 0.165 0.000 2.444 445 A HA 0.378 4.698 4.320 0.000 0.000 0.287 445 A C 1.442 178.990 177.584 -0.059 0.000 1.195 445 A CA 0.343 52.417 52.037 0.061 0.000 0.858 445 A CB -0.298 18.786 19.000 0.139 0.000 1.117 445 A HN 0.471 nan 8.150 nan 0.000 0.521 446 G N 3.844 112.611 108.800 -0.056 0.000 3.645 446 G HA2 -0.228 3.733 3.960 0.000 0.000 0.296 446 G HA3 -0.228 3.733 3.960 0.000 0.000 0.296 446 G C 1.269 176.114 174.900 -0.091 0.000 1.048 446 G CA 1.411 46.473 45.100 -0.063 0.000 0.970 446 G HN 1.838 nan 8.290 nan 0.000 1.298 447 G N -0.196 108.500 108.800 -0.174 0.000 3.255 447 G HA2 0.447 4.408 3.960 0.000 0.000 0.249 447 G HA3 0.447 4.408 3.960 0.000 0.000 0.249 447 G C 0.250 175.143 174.900 -0.011 0.000 1.269 447 G CA 1.077 46.074 45.100 -0.172 0.000 0.904 447 G HN 1.637 nan 8.290 nan 0.000 0.627 448 A N -1.127 121.813 122.820 0.200 0.000 2.344 448 A HA 0.677 4.998 4.320 0.000 0.000 0.307 448 A C 1.283 179.218 177.584 0.585 0.000 1.151 448 A CA 0.396 52.669 52.037 0.392 0.000 0.842 448 A CB 0.756 19.956 19.000 0.332 0.000 1.350 448 A HN 1.103 nan 8.150 nan 0.000 0.459 449 H N 0.146 119.320 119.070 0.173 0.000 2.353 449 H HA -0.144 4.412 4.556 0.000 0.000 0.298 449 H C 0.311 175.733 175.328 0.157 0.000 1.103 449 H CA 1.966 58.070 56.048 0.093 0.000 1.293 449 H CB -1.267 28.466 29.762 -0.050 0.000 1.372 449 H HN 0.723 nan 8.280 nan 0.000 0.501 450 H N 0.284 119.245 119.070 -0.182 0.000 2.683 450 H HA 0.381 4.937 4.556 0.000 0.000 0.339 450 H C 0.318 175.709 175.328 0.104 0.000 1.081 450 H CA 0.480 56.486 56.048 -0.070 0.000 1.432 450 H CB 0.956 30.675 29.762 -0.071 0.000 1.462 450 H HN 0.397 nan 8.280 nan 0.000 0.557 451 T N 1.609 116.297 114.554 0.224 0.000 2.821 451 T HA 0.343 4.693 4.350 0.000 0.000 0.306 451 T C -1.405 173.370 174.700 0.125 0.000 1.313 451 T CA -0.820 61.388 62.100 0.180 0.000 1.012 451 T CB 1.164 70.130 68.868 0.164 0.000 1.298 451 T HN 0.262 nan 8.240 nan 0.000 0.502 452 V N 3.744 123.706 119.914 0.080 0.000 2.328 452 V HA 0.518 4.638 4.120 0.000 0.000 0.278 452 V C -0.260 175.831 176.094 -0.004 0.000 1.021 452 V CA -0.781 61.548 62.300 0.049 0.000 0.838 452 V CB 0.466 32.280 31.823 -0.014 0.000 0.999 452 V HN 0.811 nan 8.190 nan 0.000 0.447 453 F N 4.257 124.116 119.950 -0.152 0.000 2.375 453 F HA 0.674 5.201 4.527 0.000 0.000 0.333 453 F C 0.454 176.136 175.800 -0.196 0.000 1.104 453 F CA 0.361 58.208 58.000 -0.256 0.000 1.149 453 F CB 1.493 40.303 39.000 -0.317 0.000 1.190 453 F HN 0.452 nan 8.300 nan 0.000 0.533 454 S N 3.479 118.743 115.700 -0.726 0.000 2.605 454 S HA 0.252 4.722 4.470 0.000 0.000 0.279 454 S C -0.169 174.111 174.600 -0.533 0.000 1.166 454 S CA -0.557 57.417 58.200 -0.377 0.000 0.975 454 S CB 0.398 63.474 63.200 -0.206 0.000 1.111 454 S HN 0.879 nan 8.310 nan 0.000 0.465 455 H N 2.655 121.627 119.070 -0.164 0.000 2.372 455 H HA 0.142 4.698 4.556 0.000 0.000 0.301 455 H C 2.298 177.579 175.328 -0.079 0.000 1.065 455 H CA 1.533 57.520 56.048 -0.101 0.000 1.364 455 H CB 0.188 29.977 29.762 0.045 0.000 1.406 455 H HN 0.700 nan 8.280 nan 0.000 0.521 456 A N 1.170 124.038 122.820 0.080 0.000 1.873 456 A HA -0.119 4.201 4.320 0.000 0.000 0.218 456 A C 1.059 178.641 177.584 -0.003 0.000 1.193 456 A CA 1.097 53.154 52.037 0.033 0.000 0.629 456 A CB -0.754 18.261 19.000 0.026 0.000 0.826 456 A HN 0.201 nan 8.150 nan 0.000 0.447 457 L N 0.190 121.389 121.223 -0.040 0.000 2.399 457 L HA 0.323 4.663 4.340 0.000 0.000 0.265 457 L C 0.242 177.074 176.870 -0.064 0.000 1.089 457 L CA -0.816 53.995 54.840 -0.047 0.000 0.802 457 L CB 0.791 42.809 42.059 -0.068 0.000 1.180 457 L HN 0.647 nan 8.230 nan 0.000 0.454 458 N N 0.847 119.525 118.700 -0.037 0.000 2.761 458 N HA 0.148 4.888 4.740 0.000 0.000 0.283 458 N C 0.308 175.810 175.510 -0.014 0.000 1.377 458 N CA -0.769 52.260 53.050 -0.034 0.000 0.791 458 N CB 1.176 39.657 38.487 -0.010 0.000 1.540 458 N HN 0.455 nan 8.380 nan 0.000 0.539 459 L N 0.910 122.131 121.223 -0.003 0.000 2.081 459 L HA -0.131 4.210 4.340 0.000 0.000 0.212 459 L C 1.920 178.817 176.870 0.046 0.000 1.080 459 L CA 1.887 56.740 54.840 0.022 0.000 0.754 459 L CB -1.009 41.069 42.059 0.032 0.000 0.893 459 L HN 0.797 nan 8.230 nan 0.000 0.433 460 N N -0.956 117.772 118.700 0.047 0.000 2.166 460 N HA -0.206 4.534 4.740 0.000 0.000 0.186 460 N C 1.237 176.795 175.510 0.080 0.000 1.019 460 N CA 1.506 54.595 53.050 0.065 0.000 0.856 460 N CB -0.032 38.491 38.487 0.060 0.000 0.993 460 N HN 0.469 nan 8.380 nan 0.000 0.426 461 D N 0.577 121.016 120.400 0.066 0.000 2.144 461 D HA -0.120 4.521 4.640 0.000 0.000 0.200 461 D C 1.995 178.362 176.300 0.113 0.000 0.978 461 D CA 0.817 54.866 54.000 0.081 0.000 0.833 461 D CB -0.141 40.688 40.800 0.047 0.000 0.961 461 D HN 0.352 nan 8.370 nan 0.000 0.470 462 M N 0.325 119.972 119.600 0.079 0.000 2.254 462 M HA -0.009 4.472 4.480 0.000 0.000 0.265 462 M C 2.089 178.500 176.300 0.185 0.000 1.066 462 M CA 0.900 56.263 55.300 0.105 0.000 1.123 462 M CB -0.696 31.922 32.600 0.030 0.000 1.388 462 M HN -0.008 nan 8.290 nan 0.000 0.425 463 R N 0.016 120.600 120.500 0.140 0.000 2.075 463 R HA -0.130 4.210 4.340 0.000 0.000 0.232 463 R C 2.200 178.593 176.300 0.155 0.000 1.126 463 R CA 1.249 57.433 56.100 0.140 0.000 0.963 463 R CB -0.203 30.162 30.300 0.109 0.000 0.858 463 R HN 0.545 nan 8.270 nan 0.000 0.435 464 Q N -0.628 119.267 119.800 0.157 0.000 2.172 464 Q HA -0.137 4.203 4.340 0.000 0.000 0.200 464 Q C 1.766 177.857 176.000 0.152 0.000 0.964 464 Q CA 1.132 57.023 55.803 0.146 0.000 0.855 464 Q CB -0.078 28.745 28.738 0.140 0.000 0.918 464 Q HN 0.285 nan 8.270 nan 0.000 0.444 465 F N 1.143 121.133 119.950 0.067 0.000 2.146 465 F HA -0.143 4.384 4.527 0.000 0.000 0.298 465 F C 2.112 178.020 175.800 0.181 0.000 1.096 465 F CA 1.301 59.369 58.000 0.113 0.000 1.275 465 F CB -0.198 38.869 39.000 0.111 0.000 1.008 465 F HN -0.010 nan 8.300 nan 0.000 0.480 466 A N 0.093 123.086 122.820 0.288 0.000 1.933 466 A HA -0.172 4.148 4.320 0.000 0.000 0.218 466 A C 2.101 179.734 177.584 0.081 0.000 1.175 466 A CA 1.834 53.980 52.037 0.182 0.000 0.628 466 A CB -0.829 18.292 19.000 0.202 0.000 0.814 466 A HN 0.563 nan 8.150 nan 0.000 0.444 467 E N -0.735 119.512 120.200 0.079 0.000 2.028 467 E HA -0.158 4.192 4.350 0.000 0.000 0.191 467 E C 2.051 178.633 176.600 -0.029 0.000 0.988 467 E CA 1.233 57.670 56.400 0.061 0.000 0.799 467 E CB -0.270 29.480 29.700 0.083 0.000 0.755 467 E HN 0.421 nan 8.360 nan 0.000 0.447 468 M N 0.159 119.683 119.600 -0.126 0.000 2.192 468 M HA -0.211 4.269 4.480 0.000 0.000 0.256 468 M C 1.043 177.021 176.300 -0.536 0.000 1.076 468 M CA 1.822 56.916 55.300 -0.343 0.000 1.075 468 M CB -0.720 31.573 32.600 -0.512 0.000 1.368 468 M HN 0.242 nan 8.290 nan 0.000 0.406 469 H N -1.941 116.982 119.070 -0.244 0.000 2.592 469 H HA 0.106 4.662 4.556 0.000 0.000 0.279 469 H C -0.196 175.030 175.328 -0.170 0.000 1.089 469 H CA -0.345 55.535 56.048 -0.280 0.000 1.150 469 H CB 0.254 29.764 29.762 -0.419 0.000 1.575 469 H HN 0.186 nan 8.280 nan 0.000 0.547 470 D N 1.461 121.870 120.400 0.015 0.000 2.740 470 D HA -0.178 4.462 4.640 0.000 0.000 0.231 470 D C -0.365 176.014 176.300 0.132 0.000 1.194 470 D CA 0.774 54.848 54.000 0.123 0.000 0.673 470 D CB -1.070 39.797 40.800 0.110 0.000 0.995 470 D HN 0.663 nan 8.370 nan 0.000 0.411 471 I N -3.205 117.394 120.570 0.049 0.000 3.067 471 I HA 0.538 4.709 4.170 0.000 0.000 0.312 471 I C 0.318 176.258 176.117 -0.295 0.000 1.073 471 I CA -1.298 59.919 61.300 -0.138 0.000 1.016 471 I CB 1.664 39.676 38.000 0.020 0.000 1.227 471 I HN -0.079 nan 8.210 nan 0.000 0.456 472 E N 2.225 122.067 120.200 -0.598 0.000 2.324 472 E HA 0.225 4.575 4.350 0.000 0.000 0.271 472 E C -1.180 175.368 176.600 -0.086 0.000 1.028 472 E CA -0.478 55.669 56.400 -0.422 0.000 0.890 472 E CB 1.149 30.596 29.700 -0.420 0.000 1.004 472 E HN 0.526 nan 8.360 nan 0.000 0.431 473 I N 4.173 124.754 120.570 0.018 0.000 2.315 473 I HA 0.126 4.296 4.170 0.000 0.000 0.291 473 I C -0.667 175.471 176.117 0.035 0.000 1.006 473 I CA 0.105 61.438 61.300 0.055 0.000 1.265 473 I CB 1.546 39.606 38.000 0.099 0.000 1.387 473 I HN 0.321 nan 8.210 nan 0.000 0.475 474 T N 7.277 121.844 114.554 0.021 0.000 2.821 474 T HA 0.343 4.693 4.350 0.000 0.000 0.307 474 T C -0.747 174.031 174.700 0.130 0.000 1.034 474 T CA -0.268 61.850 62.100 0.030 0.000 0.953 474 T CB 0.832 69.686 68.868 -0.025 0.000 0.968 474 T HN 0.405 nan 8.240 nan 0.000 0.462 475 V N 6.393 126.420 119.914 0.188 0.000 2.427 475 V HA 0.654 4.774 4.120 0.000 0.000 0.286 475 V C -0.783 175.477 176.094 0.278 0.000 1.034 475 V CA -0.791 61.627 62.300 0.197 0.000 0.893 475 V CB 0.787 32.695 31.823 0.141 0.000 0.982 475 V HN 0.807 nan 8.190 nan 0.000 0.452 476 I N 7.320 128.011 120.570 0.201 0.000 2.411 476 I HA 0.574 4.745 4.170 0.000 0.000 0.284 476 I C -1.057 175.118 176.117 0.097 0.000 1.012 476 I CA -0.379 60.999 61.300 0.129 0.000 1.119 476 I CB 1.507 39.587 38.000 0.134 0.000 1.261 476 I HN 0.848 nan 8.210 nan 0.000 0.448 477 D N 2.583 123.027 120.400 0.072 0.000 2.759 477 D HA 0.176 4.816 4.640 0.000 0.000 0.321 477 D C 0.063 176.392 176.300 0.048 0.000 1.267 477 D CA -0.805 53.231 54.000 0.060 0.000 0.933 477 D CB 0.477 41.315 40.800 0.064 0.000 1.431 477 D HN 0.255 nan 8.370 nan 0.000 0.504 478 N N -0.840 117.887 118.700 0.045 0.000 2.192 478 N HA -0.143 4.597 4.740 0.000 0.000 0.188 478 N C 0.242 175.777 175.510 0.042 0.000 1.013 478 N CA 1.409 54.483 53.050 0.040 0.000 0.863 478 N CB -0.098 38.412 38.487 0.038 0.000 0.990 478 N HN 0.373 nan 8.380 nan 0.000 0.430 479 D N -0.345 120.085 120.400 0.051 0.000 2.363 479 D HA -0.015 4.625 4.640 0.000 0.000 0.226 479 D C -0.097 176.243 176.300 0.066 0.000 1.020 479 D CA 0.647 54.681 54.000 0.057 0.000 0.892 479 D CB -0.147 40.692 40.800 0.064 0.000 0.900 479 D HN 0.118 nan 8.370 nan 0.000 0.531 480 T N 1.374 115.962 114.554 0.058 0.000 2.737 480 T HA 0.481 4.831 4.350 0.000 0.000 0.296 480 T C 0.549 175.270 174.700 0.035 0.000 0.922 480 T CA -0.238 61.899 62.100 0.061 0.000 1.079 480 T CB 0.587 69.457 68.868 0.003 0.000 0.892 480 T HN 0.143 nan 8.240 nan 0.000 0.514 481 R N 3.083 123.623 120.500 0.067 0.000 2.514 481 R HA 0.591 4.932 4.340 0.000 0.000 0.301 481 R C 0.948 177.296 176.300 0.079 0.000 0.962 481 R CA -0.729 55.402 56.100 0.051 0.000 0.882 481 R CB 0.026 30.358 30.300 0.053 0.000 1.143 481 R HN 0.791 nan 8.270 nan 0.000 0.452 482 L N 1.801 123.052 121.223 0.047 0.000 2.017 482 L HA -0.071 4.269 4.340 0.000 0.000 0.208 482 L C -0.548 176.391 176.870 0.115 0.000 1.073 482 L CA 1.465 56.352 54.840 0.078 0.000 0.745 482 L CB -0.658 41.417 42.059 0.027 0.000 0.894 482 L HN 0.534 nan 8.230 nan 0.000 0.432 483 P HA -0.211 nan 4.420 nan 0.000 0.215 483 P C 1.456 178.753 177.300 -0.004 0.000 1.157 483 P CA 1.943 65.058 63.100 0.026 0.000 0.874 483 P CB -0.031 31.682 31.700 0.022 0.000 0.790 484 A N -1.453 121.383 122.820 0.028 0.000 1.933 484 A HA -0.207 4.114 4.320 0.000 0.000 0.218 484 A C 2.141 179.723 177.584 -0.005 0.000 1.175 484 A CA 1.384 53.423 52.037 0.003 0.000 0.628 484 A CB -1.851 17.189 19.000 0.067 0.000 0.814 484 A HN 0.143 nan 8.150 nan 0.000 0.444 485 F N 0.727 120.640 119.950 -0.063 0.000 2.134 485 F HA -0.161 4.366 4.527 0.000 0.000 0.299 485 F C 2.209 177.946 175.800 -0.105 0.000 1.097 485 F CA 2.164 60.130 58.000 -0.056 0.000 1.264 485 F CB -0.086 38.903 39.000 -0.018 0.000 1.001 485 F HN 0.122 nan 8.300 nan 0.000 0.479 486 K N -0.105 120.300 120.400 0.009 0.000 2.057 486 K HA -0.170 4.150 4.320 0.000 0.000 0.206 486 K C 1.753 178.154 176.600 -0.332 0.000 1.050 486 K CA 1.544 57.756 56.287 -0.125 0.000 0.935 486 K CB -0.414 32.058 32.500 -0.047 0.000 0.715 486 K HN 0.222 nan 8.250 nan 0.000 0.439 487 D N 0.915 121.049 120.400 -0.442 0.000 2.106 487 D HA -0.187 4.453 4.640 0.000 0.000 0.191 487 D C 1.854 177.504 176.300 -1.083 0.000 0.997 487 D CA 1.622 55.054 54.000 -0.948 0.000 0.834 487 D CB -0.278 39.840 40.800 -1.136 0.000 0.956 487 D HN 0.218 nan 8.370 nan 0.000 0.448 488 A N 0.571 123.024 122.820 -0.612 0.000 1.902 488 A HA -0.135 4.185 4.320 0.000 0.000 0.217 488 A C 2.454 179.890 177.584 -0.246 0.000 1.181 488 A CA 0.980 52.842 52.037 -0.292 0.000 0.623 488 A CB -0.884 18.012 19.000 -0.172 0.000 0.818 488 A HN 0.231 nan 8.150 nan 0.000 0.443 489 L N -1.214 119.794 121.223 -0.358 0.000 2.051 489 L HA -0.283 4.057 4.340 0.000 0.000 0.214 489 L C 2.915 179.696 176.870 -0.148 0.000 1.076 489 L CA 1.914 56.597 54.840 -0.261 0.000 0.758 489 L CB -0.402 41.478 42.059 -0.298 0.000 0.890 489 L HN 0.377 nan 8.230 nan 0.000 0.433 490 R N -1.267 119.096 120.500 -0.228 0.000 2.057 490 R HA -0.153 4.188 4.340 0.000 0.000 0.229 490 R C 2.155 178.488 176.300 0.056 0.000 1.136 490 R CA 1.639 57.660 56.100 -0.132 0.000 0.952 490 R CB -0.291 29.866 30.300 -0.238 0.000 0.848 490 R HN 0.321 nan 8.270 nan 0.000 0.430 491 W N 1.190 122.494 121.300 0.007 0.000 2.374 491 W HA -0.045 4.615 4.660 0.000 0.000 0.288 491 W C 1.655 178.206 176.519 0.053 0.000 1.218 491 W CA 0.352 57.707 57.345 0.017 0.000 1.245 491 W CB -1.007 28.450 29.460 -0.006 0.000 1.126 491 W HN 0.162 nan 8.180 nan 0.000 0.545 492 N N 0.601 119.466 118.700 0.275 0.000 2.142 492 N HA -0.172 4.568 4.740 0.000 0.000 0.186 492 N C 1.618 177.325 175.510 0.328 0.000 1.023 492 N CA 1.749 54.990 53.050 0.318 0.000 0.852 492 N CB -0.627 38.052 38.487 0.320 0.000 0.998 492 N HN 0.185 nan 8.380 nan 0.000 0.424 493 E N 0.885 121.205 120.200 0.200 0.000 2.070 493 E HA -0.125 4.226 4.350 0.000 0.000 0.197 493 E C 1.842 178.525 176.600 0.139 0.000 1.004 493 E CA 0.957 57.446 56.400 0.148 0.000 0.805 493 E CB -0.454 29.290 29.700 0.074 0.000 0.744 493 E HN 0.092 nan 8.360 nan 0.000 0.451 494 V N -0.349 119.649 119.914 0.140 0.000 2.453 494 V HA -0.162 3.958 4.120 0.000 0.000 0.247 494 V C 1.944 178.082 176.094 0.074 0.000 1.048 494 V CA 2.018 64.379 62.300 0.100 0.000 1.049 494 V CB -0.544 31.346 31.823 0.111 0.000 0.672 494 V HN 0.541 nan 8.190 nan 0.000 0.457 495 Y N 0.348 120.637 120.300 -0.018 0.000 2.089 495 Y HA -0.245 4.305 4.550 0.000 0.000 0.282 495 Y C 2.192 177.973 175.900 -0.197 0.000 1.139 495 Y CA 2.373 60.378 58.100 -0.159 0.000 1.123 495 Y CB -0.610 37.674 38.460 -0.293 0.000 0.980 495 Y HN 0.411 nan 8.280 nan 0.000 0.493 496 Y N -0.058 120.224 120.300 -0.030 0.000 2.516 496 Y HA 0.152 4.702 4.550 0.000 0.000 0.291 496 Y C 1.723 177.551 175.900 -0.120 0.000 1.131 496 Y CA 0.583 58.609 58.100 -0.122 0.000 1.281 496 Y CB -0.532 37.951 38.460 0.039 0.000 1.013 496 Y HN 0.144 nan 8.280 nan 0.000 0.554 497 G N -0.151 108.675 108.800 0.043 0.000 2.770 497 G HA2 0.441 4.402 3.960 0.000 0.000 0.307 497 G HA3 0.441 4.402 3.960 0.000 0.000 0.307 497 G C -0.548 174.321 174.900 -0.052 0.000 0.863 497 G CA 0.745 45.847 45.100 0.004 0.000 1.595 497 G HN 0.355 nan 8.290 nan 0.000 0.496 498 F N 0.000 119.901 119.950 -0.082 0.000 2.286 498 F HA 0.000 4.527 4.527 0.000 0.000 0.279 498 F CA 0.000 57.940 58.000 -0.100 0.000 1.383 498 F CB 0.000 nan 39.000 nan 0.000 1.145 498 F HN 0.000 nan 8.300 nan 0.000 0.574