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 2bht_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSTLEQTIGN TPLVKLQRMG PDNGSEVWLK LEGNNPAGSV XDRAALSMIV DATA SEQUENCE EAEKRGRIKP GDVLIEATSG NTGIALAMIA ALKGYRMKLL MPDNMSQERR DATA SEQUENCE AAMRAYGAEL ILVTKEQGME GARDLALEMA NRGEGKLLDQ FNNPDNPKAH DATA SEQUENCE YTTTGPEIWQ QTGGRITHFV SSMGTTGTIT GVSEFMREQS KPVTIVGLQP DATA SEQUENCE EEGSSIPGIR RWPTEYLPGI FNASLVDEVL DIHQRDAENT MRELAVREGI DATA SEQUENCE FCGVSSGGAV AGALRVAKAN PDAVVVAIIC DRGDRYLSTG VFGE 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 0.000 176.302 176.300 0.004 0.000 1.140 1 M CA 0.000 55.302 55.300 0.003 0.000 0.988 1 M CB 0.000 32.602 32.600 0.004 0.000 1.302 2 S N 0.196 115.898 115.700 0.004 0.000 2.638 2 S HA 0.678 5.148 4.470 -0.000 0.000 0.298 2 S C -0.520 174.084 174.600 0.006 0.000 1.111 2 S CA -0.185 58.017 58.200 0.004 0.000 1.027 2 S CB 1.911 65.113 63.200 0.003 0.000 1.064 2 S HN 0.638 nan 8.310 nan 0.000 0.525 3 T N 2.683 117.240 114.554 0.005 0.000 2.904 3 T HA 0.253 4.603 4.350 -0.000 0.000 0.290 3 T C 1.357 176.063 174.700 0.009 0.000 1.018 3 T CA -0.411 61.694 62.100 0.007 0.000 1.075 3 T CB 0.709 69.581 68.868 0.006 0.000 0.986 3 T HN 0.639 nan 8.240 nan 0.000 0.523 4 L N 3.484 124.715 121.223 0.013 0.000 2.013 4 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 4 L C 2.212 179.085 176.870 0.006 0.000 1.073 4 L CA 2.046 56.895 54.840 0.015 0.000 0.753 4 L CB -0.486 41.588 42.059 0.024 0.000 0.890 4 L HN 0.728 nan 8.230 nan 0.000 0.432 5 E N -0.602 119.599 120.200 0.002 0.000 2.153 5 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 5 E C 1.930 178.523 176.600 -0.010 0.000 0.988 5 E CA 1.347 57.743 56.400 -0.006 0.000 0.811 5 E CB -0.251 29.447 29.700 -0.004 0.000 0.746 5 E HN 0.732 nan 8.360 nan 0.000 0.466 6 Q N -0.312 119.484 119.800 -0.006 0.000 2.466 6 Q HA 0.056 4.396 4.340 -0.000 0.000 0.210 6 Q C 1.116 177.111 176.000 -0.008 0.000 0.961 6 Q CA 0.823 56.620 55.803 -0.010 0.000 0.953 6 Q CB 0.157 28.891 28.738 -0.007 0.000 1.011 6 Q HN -0.009 nan 8.270 nan 0.000 0.516 7 T N 0.506 115.058 114.554 -0.004 0.000 3.086 7 T HA 0.244 4.594 4.350 -0.000 0.000 0.250 7 T C 0.169 174.867 174.700 -0.004 0.000 1.074 7 T CA -0.265 61.835 62.100 0.000 0.000 0.988 7 T CB 0.013 68.886 68.868 0.009 0.000 0.988 7 T HN 0.140 nan 8.240 nan 0.000 0.530 8 I N 1.501 122.063 120.570 -0.014 0.000 2.428 8 I HA 0.499 4.668 4.170 -0.000 0.000 0.289 8 I C 1.161 177.259 176.117 -0.031 0.000 1.019 8 I CA 0.506 61.792 61.300 -0.023 0.000 1.351 8 I CB 0.979 38.959 38.000 -0.034 0.000 1.412 8 I HN 0.319 nan 8.210 nan 0.000 0.513 9 G N 4.917 113.698 108.800 -0.031 0.000 2.527 9 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.227 9 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.227 9 G C -0.061 174.826 174.900 -0.022 0.000 1.291 9 G CA -0.420 44.657 45.100 -0.039 0.000 0.904 9 G HN 0.732 nan 8.290 nan 0.000 0.577 10 N N 1.300 119.983 118.700 -0.029 0.000 2.725 10 N HA -0.181 4.559 4.740 -0.000 0.000 0.280 10 N C 0.820 176.329 175.510 -0.001 0.000 1.017 10 N CA 1.907 54.945 53.050 -0.019 0.000 0.813 10 N CB -1.059 37.416 38.487 -0.020 0.000 0.931 10 N HN 1.402 nan 8.380 nan 0.000 0.570 11 T N -1.623 112.937 114.554 0.009 0.000 2.934 11 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 11 T C -2.301 172.424 174.700 0.041 0.000 1.005 11 T CA -1.709 60.408 62.100 0.029 0.000 1.041 11 T CB 2.411 71.303 68.868 0.040 0.000 1.042 11 T HN 0.001 nan 8.240 nan 0.000 0.505 12 P HA 0.336 nan 4.420 nan 0.000 0.272 12 P C -1.057 176.302 177.300 0.099 0.000 1.230 12 P CA -0.648 62.493 63.100 0.069 0.000 0.788 12 P CB 0.525 32.271 31.700 0.076 0.000 0.949 13 L N 3.096 124.391 121.223 0.119 0.000 2.377 13 L HA 0.382 4.722 4.340 -0.000 0.000 0.270 13 L C -0.667 176.439 176.870 0.394 0.000 0.991 13 L CA -0.733 54.227 54.840 0.199 0.000 0.851 13 L CB 1.329 43.442 42.059 0.090 0.000 1.218 13 L HN 0.198 nan 8.230 nan 0.000 0.420 14 V N 2.026 122.175 119.914 0.392 0.000 2.448 14 V HA 0.592 4.712 4.120 -0.000 0.000 0.295 14 V C -0.295 175.873 176.094 0.123 0.000 1.025 14 V CA -0.800 61.696 62.300 0.327 0.000 0.859 14 V CB 1.538 33.452 31.823 0.151 0.000 0.988 14 V HN 0.761 nan 8.190 nan 0.000 0.431 15 K N 4.070 124.241 120.400 -0.382 0.000 2.154 15 K HA 0.483 4.803 4.320 -0.000 0.000 0.264 15 K C -0.377 175.940 176.600 -0.471 0.000 1.008 15 K CA -0.819 54.875 56.287 -0.990 0.000 0.937 15 K CB 1.296 32.494 32.500 -2.171 0.000 1.002 15 K HN 0.877 nan 8.250 nan 0.000 0.469 16 L N 4.871 125.862 121.223 -0.386 0.000 2.565 16 L HA -0.063 4.277 4.340 -0.000 0.000 0.275 16 L C 1.689 178.448 176.870 -0.186 0.000 1.137 16 L CA 0.439 55.153 54.840 -0.211 0.000 0.915 16 L CB 0.516 42.478 42.059 -0.162 0.000 1.232 16 L HN 0.892 nan 8.230 nan 0.000 0.473 17 Q N 2.657 122.379 119.800 -0.130 0.000 2.112 17 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 17 Q C 1.304 177.255 176.000 -0.082 0.000 0.987 17 Q CA 2.241 57.986 55.803 -0.097 0.000 0.858 17 Q CB 0.262 28.966 28.738 -0.057 0.000 0.905 17 Q HN 0.626 nan 8.270 nan 0.000 0.420 18 R N -2.775 117.683 120.500 -0.070 0.000 2.773 18 R HA 0.257 4.597 4.340 -0.000 0.000 0.196 18 R C 0.113 176.382 176.300 -0.052 0.000 0.938 18 R CA -0.239 55.828 56.100 -0.054 0.000 1.265 18 R CB 0.409 30.687 30.300 -0.036 0.000 1.668 18 R HN 0.106 nan 8.270 nan 0.000 0.583 19 M N 0.710 120.278 119.600 -0.054 0.000 2.207 19 M HA 0.223 4.703 4.480 -0.000 0.000 0.311 19 M C 0.927 177.196 176.300 -0.051 0.000 1.127 19 M CA 1.241 56.514 55.300 -0.045 0.000 1.181 19 M CB 0.593 33.169 32.600 -0.040 0.000 1.409 19 M HN 0.414 nan 8.290 nan 0.000 0.461 20 G N 1.476 110.251 108.800 -0.042 0.000 2.698 20 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.233 20 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.233 20 G C -2.768 172.107 174.900 -0.041 0.000 1.352 20 G CA -0.874 44.200 45.100 -0.042 0.000 0.879 20 G HN 0.554 nan 8.290 nan 0.000 0.567 21 P HA 0.323 nan 4.420 nan 0.000 0.286 21 P C -0.207 177.069 177.300 -0.040 0.000 1.293 21 P CA 0.706 63.785 63.100 -0.036 0.000 0.770 21 P CB 0.524 32.204 31.700 -0.033 0.000 1.206 22 D N -2.873 117.507 120.400 -0.034 0.000 2.530 22 D HA -0.059 4.581 4.640 -0.000 0.000 0.253 22 D C -0.106 176.180 176.300 -0.024 0.000 1.338 22 D CA -0.090 53.889 54.000 -0.034 0.000 0.806 22 D CB -1.092 39.690 40.800 -0.031 0.000 1.160 22 D HN 0.472 nan 8.370 nan 0.000 0.514 23 N N 1.345 120.032 118.700 -0.020 0.000 2.938 23 N HA 0.130 4.870 4.740 -0.000 0.000 0.286 23 N C 1.276 176.782 175.510 -0.007 0.000 1.316 23 N CA 0.443 53.485 53.050 -0.013 0.000 1.063 23 N CB -0.210 38.269 38.487 -0.014 0.000 1.388 23 N HN 0.256 nan 8.380 nan 0.000 0.545 24 G N 0.482 109.279 108.800 -0.004 0.000 2.347 24 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.247 24 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.247 24 G C 0.277 175.184 174.900 0.011 0.000 1.037 24 G CA 0.418 45.522 45.100 0.006 0.000 0.622 24 G HN 0.797 nan 8.290 nan 0.000 0.521 25 S N 1.312 117.011 115.700 -0.001 0.000 2.430 25 S HA 0.565 5.035 4.470 -0.000 0.000 0.282 25 S C 0.048 174.643 174.600 -0.009 0.000 1.186 25 S CA 0.181 58.380 58.200 -0.001 0.000 1.060 25 S CB 0.993 64.179 63.200 -0.024 0.000 0.966 25 S HN 0.579 nan 8.310 nan 0.000 0.501 26 E N 2.257 122.471 120.200 0.024 0.000 2.248 26 E HA 0.609 4.959 4.350 -0.000 0.000 0.272 26 E C -0.957 175.632 176.600 -0.017 0.000 1.008 26 E CA -1.090 55.297 56.400 -0.022 0.000 0.856 26 E CB 1.595 31.326 29.700 0.052 0.000 1.120 26 E HN 0.478 nan 8.360 nan 0.000 0.397 27 V N 2.044 121.851 119.914 -0.179 0.000 2.531 27 V HA 0.340 4.460 4.120 -0.000 0.000 0.301 27 V C -1.303 174.623 176.094 -0.280 0.000 1.034 27 V CA -0.873 61.361 62.300 -0.110 0.000 0.865 27 V CB 0.800 32.571 31.823 -0.086 0.000 0.995 27 V HN 0.627 nan 8.190 nan 0.000 0.424 28 W N 4.202 125.524 121.300 0.036 0.000 2.666 28 W HA 0.707 5.367 4.660 -0.000 0.000 0.334 28 W C -0.658 175.889 176.519 0.047 0.000 1.051 28 W CA -0.645 56.725 57.345 0.041 0.000 1.224 28 W CB 1.579 31.070 29.460 0.051 0.000 1.405 28 W HN 0.221 nan 8.180 nan 0.000 0.513 29 L N 3.313 124.707 121.223 0.286 0.000 2.295 29 L HA 0.357 4.697 4.340 -0.000 0.000 0.285 29 L C -0.072 176.914 176.870 0.194 0.000 1.035 29 L CA -1.063 53.883 54.840 0.178 0.000 0.806 29 L CB 1.394 43.519 42.059 0.110 0.000 1.214 29 L HN 0.246 nan 8.230 nan 0.000 0.426 30 K N 3.487 123.984 120.400 0.163 0.000 2.267 30 K HA 0.343 4.663 4.320 -0.000 0.000 0.282 30 K C -0.638 176.032 176.600 0.117 0.000 1.078 30 K CA -0.324 56.054 56.287 0.153 0.000 0.903 30 K CB 0.445 33.060 32.500 0.191 0.000 1.111 30 K HN 0.321 nan 8.250 nan 0.000 0.475 31 L N 5.157 126.442 121.223 0.103 0.000 2.397 31 L HA 0.234 4.574 4.340 -0.000 0.000 0.263 31 L C 1.123 178.037 176.870 0.073 0.000 1.136 31 L CA 0.202 55.092 54.840 0.084 0.000 1.019 31 L CB 0.695 42.804 42.059 0.083 0.000 1.352 31 L HN 0.589 nan 8.230 nan 0.000 0.420 32 E N 1.233 121.478 120.200 0.074 0.000 2.250 32 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 32 E C 2.082 178.717 176.600 0.059 0.000 0.986 32 E CA 0.759 57.200 56.400 0.067 0.000 0.849 32 E CB 0.239 29.988 29.700 0.082 0.000 0.797 32 E HN 0.742 nan 8.360 nan 0.000 0.482 33 G N 2.399 111.236 108.800 0.062 0.000 2.597 33 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.222 33 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.222 33 G C 1.506 176.443 174.900 0.061 0.000 1.135 33 G CA 1.432 46.570 45.100 0.064 0.000 0.759 33 G HN 0.252 nan 8.290 nan 0.000 0.595 34 N N 0.854 119.589 118.700 0.058 0.000 2.430 34 N HA -0.051 4.689 4.740 -0.000 0.000 0.186 34 N C 0.743 176.278 175.510 0.042 0.000 1.032 34 N CA 0.141 53.222 53.050 0.052 0.000 0.893 34 N CB -0.189 38.327 38.487 0.048 0.000 0.957 34 N HN 0.246 nan 8.380 nan 0.000 0.442 35 N N 0.986 119.709 118.700 0.038 0.000 2.345 35 N HA -0.051 4.689 4.740 -0.000 0.000 0.243 35 N C -1.501 174.028 175.510 0.033 0.000 1.246 35 N CA -0.651 52.414 53.050 0.025 0.000 0.863 35 N CB 0.504 39.001 38.487 0.016 0.000 1.096 35 N HN 0.128 nan 8.380 nan 0.000 0.446 36 P HA -0.181 nan 4.420 nan 0.000 0.216 36 P C 0.445 177.783 177.300 0.063 0.000 1.154 36 P CA 1.771 64.896 63.100 0.042 0.000 0.865 36 P CB 0.160 31.878 31.700 0.030 0.000 0.789 37 A N -1.390 121.451 122.820 0.036 0.000 2.251 37 A HA 0.459 4.779 4.320 -0.000 0.000 0.209 37 A C 1.586 179.207 177.584 0.060 0.000 1.187 37 A CA 0.700 52.764 52.037 0.046 0.000 0.823 37 A CB -1.061 17.907 19.000 -0.054 0.000 0.846 37 A HN 0.288 nan 8.150 nan 0.000 0.486 38 G N -0.832 108.001 108.800 0.056 0.000 2.141 38 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.242 38 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.242 38 G C 0.202 175.139 174.900 0.062 0.000 0.982 38 G CA 0.744 45.883 45.100 0.065 0.000 0.662 38 G HN 1.983 nan 8.290 nan 0.000 0.527 39 S N -1.870 113.859 115.700 0.049 0.000 2.550 39 S HA 0.762 5.232 4.470 -0.000 0.000 0.270 39 S C 0.335 174.963 174.600 0.046 0.000 1.145 39 S CA 0.210 58.445 58.200 0.057 0.000 0.852 39 S CB 2.092 65.328 63.200 0.060 0.000 1.119 39 S HN 1.765 nan 8.310 nan 0.000 0.465 43 R N 1.642 122.088 120.500 -0.090 0.000 2.081 43 R HA 0.081 4.421 4.340 -0.000 0.000 0.235 43 R C 2.195 178.423 176.300 -0.121 0.000 1.131 43 R CA 1.762 57.775 56.100 -0.144 0.000 0.960 43 R CB -0.229 29.902 30.300 -0.282 0.000 0.856 43 R HN 0.112 nan 8.270 nan 0.000 0.436 44 A N 1.602 124.372 122.820 -0.083 0.000 1.873 44 A HA -0.007 4.312 4.320 -0.000 0.000 0.215 44 A C 2.460 180.015 177.584 -0.048 0.000 1.186 44 A CA 1.403 53.424 52.037 -0.027 0.000 0.616 44 A CB -0.663 18.360 19.000 0.039 0.000 0.823 44 A HN 0.376 nan 8.150 nan 0.000 0.442 45 A N -0.382 122.401 122.820 -0.060 0.000 1.908 45 A HA -0.049 4.271 4.320 -0.000 0.000 0.218 45 A C 2.125 179.663 177.584 -0.078 0.000 1.181 45 A CA 1.830 53.821 52.037 -0.077 0.000 0.627 45 A CB -0.673 18.276 19.000 -0.083 0.000 0.818 45 A HN 0.623 nan 8.150 nan 0.000 0.445 46 L N -0.093 121.089 121.223 -0.068 0.000 1.948 46 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 46 L C 2.508 179.346 176.870 -0.053 0.000 1.074 46 L CA 2.670 57.475 54.840 -0.059 0.000 0.753 46 L CB -1.312 40.716 42.059 -0.052 0.000 0.888 46 L HN 0.389 nan 8.230 nan 0.000 0.432 47 S N -0.886 114.785 115.700 -0.049 0.000 2.444 47 S HA -0.397 4.073 4.470 -0.000 0.000 0.274 47 S C 2.066 176.643 174.600 -0.038 0.000 1.130 47 S CA 2.751 60.929 58.200 -0.037 0.000 1.243 47 S CB -0.457 62.725 63.200 -0.030 0.000 1.166 47 S HN 0.501 nan 8.310 nan 0.000 0.439 48 M N 0.086 119.656 119.600 -0.049 0.000 2.065 48 M HA -0.111 4.369 4.480 -0.000 0.000 0.259 48 M C 2.357 178.608 176.300 -0.082 0.000 1.069 48 M CA 2.107 57.371 55.300 -0.060 0.000 1.110 48 M CB -0.755 31.802 32.600 -0.071 0.000 1.328 48 M HN 0.685 nan 8.290 nan 0.000 0.405 49 I N -0.270 120.234 120.570 -0.111 0.000 2.286 49 I HA -0.124 4.046 4.170 -0.000 0.000 0.245 49 I C 2.001 178.060 176.117 -0.097 0.000 1.104 49 I CA 1.273 62.474 61.300 -0.166 0.000 1.397 49 I CB -0.634 37.213 38.000 -0.254 0.000 1.072 49 I HN 0.126 nan 8.210 nan 0.000 0.417 50 V N -1.923 117.961 119.914 -0.050 0.000 2.871 50 V HA 0.051 4.171 4.120 -0.000 0.000 0.256 50 V C 2.304 178.392 176.094 -0.010 0.000 1.082 50 V CA 1.203 63.496 62.300 -0.011 0.000 1.105 50 V CB -1.152 30.670 31.823 -0.002 0.000 0.713 50 V HN 0.381 nan 8.190 nan 0.000 0.473 51 E N 1.377 121.565 120.200 -0.021 0.000 2.208 51 E HA 0.065 4.415 4.350 -0.000 0.000 0.193 51 E C 2.148 178.742 176.600 -0.010 0.000 0.988 51 E CA 1.467 57.860 56.400 -0.011 0.000 0.828 51 E CB 0.029 29.722 29.700 -0.010 0.000 0.763 51 E HN 0.712 nan 8.360 nan 0.000 0.478 52 A N 0.581 123.387 122.820 -0.022 0.000 2.220 52 A HA 0.007 4.327 4.320 -0.000 0.000 0.211 52 A C 1.597 179.180 177.584 -0.001 0.000 1.176 52 A CA 0.086 52.111 52.037 -0.019 0.000 0.834 52 A CB -0.041 18.936 19.000 -0.039 0.000 0.868 52 A HN 0.114 nan 8.150 nan 0.000 0.488 53 E N 0.257 120.464 120.200 0.012 0.000 2.418 53 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 53 E C 1.736 178.358 176.600 0.035 0.000 1.026 53 E CA 0.834 57.266 56.400 0.053 0.000 0.862 53 E CB 0.028 29.786 29.700 0.096 0.000 0.799 53 E HN 0.619 nan 8.360 nan 0.000 0.518 54 K N 1.628 122.039 120.400 0.020 0.000 2.168 54 K HA 0.011 4.331 4.320 -0.000 0.000 0.201 54 K C 1.421 178.028 176.600 0.012 0.000 1.049 54 K CA 0.256 56.552 56.287 0.015 0.000 0.974 54 K CB 0.350 32.855 32.500 0.010 0.000 0.792 54 K HN -0.025 nan 8.250 nan 0.000 0.463 55 R N 0.392 120.898 120.500 0.009 0.000 2.541 55 R HA 0.116 4.456 4.340 -0.000 0.000 0.245 55 R C 0.709 177.016 176.300 0.011 0.000 1.154 55 R CA 0.580 56.684 56.100 0.008 0.000 1.179 55 R CB -0.012 30.291 30.300 0.004 0.000 1.189 55 R HN 0.455 nan 8.270 nan 0.000 0.526 56 G N 2.237 111.047 108.800 0.016 0.000 2.186 56 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.266 56 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.266 56 G C 0.990 175.904 174.900 0.023 0.000 0.982 56 G CA 1.051 46.163 45.100 0.021 0.000 0.670 56 G HN 0.507 nan 8.290 nan 0.000 0.533 57 R N 0.378 120.890 120.500 0.019 0.000 2.060 57 R HA 0.189 4.529 4.340 -0.000 0.000 0.225 57 R C 1.951 178.267 176.300 0.028 0.000 1.155 57 R CA 1.353 57.462 56.100 0.016 0.000 0.930 57 R CB -0.238 30.064 30.300 0.003 0.000 0.829 57 R HN 0.842 nan 8.270 nan 0.000 0.433 58 I N -0.250 120.338 120.570 0.031 0.000 2.797 58 I HA 0.341 4.511 4.170 -0.000 0.000 0.310 58 I C -1.026 175.177 176.117 0.144 0.000 0.990 58 I CA -0.730 60.610 61.300 0.066 0.000 1.228 58 I CB 1.585 39.581 38.000 -0.006 0.000 1.406 58 I HN 0.170 nan 8.210 nan 0.000 0.534 59 K N 2.488 123.032 120.400 0.239 0.000 2.561 59 K HA 0.553 4.873 4.320 -0.000 0.000 0.254 59 K C -3.215 173.485 176.600 0.166 0.000 0.942 59 K CA -1.635 54.776 56.287 0.208 0.000 0.818 59 K CB 1.692 34.242 32.500 0.084 0.000 1.306 59 K HN 0.261 nan 8.250 nan 0.000 0.435 60 P HA -0.077 nan 4.420 nan 0.000 0.266 60 P C 0.778 177.920 177.300 -0.263 0.000 1.180 60 P CA 2.085 64.772 63.100 -0.687 0.000 0.765 60 P CB 0.459 31.822 31.700 -0.562 0.000 0.806 61 G N 1.259 109.922 108.800 -0.229 0.000 2.258 61 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.233 61 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.233 61 G C -0.001 174.909 174.900 0.017 0.000 1.006 61 G CA -0.096 44.961 45.100 -0.072 0.000 0.620 61 G HN 0.527 nan 8.290 nan 0.000 0.511 62 D N 0.455 120.909 120.400 0.090 0.000 2.339 62 D HA 0.508 5.148 4.640 -0.000 0.000 0.245 62 D C 0.720 177.120 176.300 0.167 0.000 1.115 62 D CA -0.080 54.005 54.000 0.143 0.000 0.917 62 D CB 1.663 42.577 40.800 0.190 0.000 1.192 62 D HN 0.260 nan 8.370 nan 0.000 0.428 63 V N 2.387 122.363 119.914 0.103 0.000 2.509 63 V HA 0.336 4.456 4.120 -0.000 0.000 0.284 63 V C 0.341 176.470 176.094 0.059 0.000 1.047 63 V CA -0.663 61.687 62.300 0.082 0.000 0.952 63 V CB 0.991 32.846 31.823 0.054 0.000 0.988 63 V HN 0.297 nan 8.190 nan 0.000 0.469 64 L N 5.140 126.386 121.223 0.038 0.000 2.342 64 L HA 0.662 5.002 4.340 -0.000 0.000 0.271 64 L C -0.796 176.076 176.870 0.002 0.000 1.008 64 L CA -0.595 54.242 54.840 -0.006 0.000 0.818 64 L CB 2.169 44.187 42.059 -0.069 0.000 1.296 64 L HN 0.497 nan 8.230 nan 0.000 0.427 65 I N 2.163 122.733 120.570 -0.001 0.000 2.498 65 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 65 I C -0.680 175.447 176.117 0.016 0.000 1.032 65 I CA -0.482 60.826 61.300 0.014 0.000 1.073 65 I CB 2.161 40.174 38.000 0.023 0.000 1.251 65 I HN 0.463 nan 8.210 nan 0.000 0.426 66 E N 4.165 124.382 120.200 0.027 0.000 2.331 66 E HA 0.627 4.977 4.350 -0.000 0.000 0.275 66 E C -1.305 175.341 176.600 0.076 0.000 0.895 66 E CA -0.836 55.590 56.400 0.043 0.000 0.753 66 E CB 2.670 32.373 29.700 0.006 0.000 1.216 66 E HN 0.618 nan 8.360 nan 0.000 0.434 67 A N 1.834 124.738 122.820 0.140 0.000 2.292 67 A HA 0.650 4.970 4.320 -0.000 0.000 0.319 67 A C -0.145 177.579 177.584 0.232 0.000 1.206 67 A CA -0.306 51.833 52.037 0.169 0.000 0.835 67 A CB 1.177 20.276 19.000 0.167 0.000 1.164 67 A HN 0.355 nan 8.150 nan 0.000 0.505 68 T N 0.217 114.871 114.554 0.167 0.000 2.906 68 T HA 0.453 4.803 4.350 -0.000 0.000 0.295 68 T C 1.081 175.867 174.700 0.144 0.000 1.061 68 T CA 0.199 62.385 62.100 0.143 0.000 1.000 68 T CB 1.291 70.202 68.868 0.072 0.000 1.103 68 T HN 0.927 nan 8.240 nan 0.000 0.486 69 S N 1.413 117.199 115.700 0.143 0.000 2.528 69 S HA 0.426 4.895 4.470 -0.000 0.000 0.219 69 S C 1.485 176.116 174.600 0.051 0.000 0.985 69 S CA 0.669 58.929 58.200 0.099 0.000 0.914 69 S CB 0.321 63.587 63.200 0.110 0.000 0.776 69 S HN 1.306 nan 8.310 nan 0.000 0.526 70 G N 1.932 110.759 108.800 0.045 0.000 4.025 70 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.195 70 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.195 70 G C 0.790 175.699 174.900 0.015 0.000 1.546 70 G CA 0.113 45.225 45.100 0.019 0.000 1.007 70 G HN 0.255 nan 8.290 nan 0.000 0.388 71 N N 1.388 120.099 118.700 0.017 0.000 2.036 71 N HA -0.118 4.622 4.740 -0.000 0.000 0.195 71 N C 2.545 178.057 175.510 0.002 0.000 1.037 71 N CA 2.825 55.885 53.050 0.017 0.000 0.855 71 N CB -0.799 37.710 38.487 0.037 0.000 1.033 71 N HN 0.675 nan 8.380 nan 0.000 0.423 72 T N -2.014 112.540 114.554 -0.001 0.000 2.788 72 T HA -0.055 4.295 4.350 -0.000 0.000 0.268 72 T C 2.031 176.713 174.700 -0.031 0.000 1.044 72 T CA 1.297 63.379 62.100 -0.030 0.000 1.139 72 T CB -1.109 67.723 68.868 -0.060 0.000 0.867 72 T HN 0.246 nan 8.240 nan 0.000 0.454 73 G N 2.228 111.024 108.800 -0.006 0.000 2.672 73 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 73 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 73 G C 1.471 176.363 174.900 -0.013 0.000 1.238 73 G CA 1.175 46.276 45.100 0.002 0.000 0.791 73 G HN 0.561 nan 8.290 nan 0.000 0.606 74 I N 1.705 122.274 120.570 -0.001 0.000 2.454 74 I HA -0.137 4.033 4.170 -0.000 0.000 0.254 74 I C 3.180 179.218 176.117 -0.131 0.000 1.156 74 I CA 0.865 62.163 61.300 -0.003 0.000 1.433 74 I CB -0.151 37.883 38.000 0.057 0.000 1.082 74 I HN 0.282 nan 8.210 nan 0.000 0.432 75 A N 1.092 123.852 122.820 -0.100 0.000 1.832 75 A HA -0.149 4.171 4.320 -0.000 0.000 0.214 75 A C 2.181 179.665 177.584 -0.166 0.000 1.200 75 A CA 1.523 53.483 52.037 -0.129 0.000 0.610 75 A CB -0.980 17.974 19.000 -0.077 0.000 0.842 75 A HN 0.363 nan 8.150 nan 0.000 0.444 76 L N -0.311 120.839 121.223 -0.122 0.000 2.201 76 L HA -0.093 4.247 4.340 -0.000 0.000 0.212 76 L C 2.913 179.711 176.870 -0.120 0.000 1.105 76 L CA 0.997 55.769 54.840 -0.114 0.000 0.775 76 L CB -0.731 41.274 42.059 -0.090 0.000 0.913 76 L HN 0.392 nan 8.230 nan 0.000 0.440 77 A N 0.104 122.841 122.820 -0.137 0.000 1.865 77 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 77 A C 2.407 179.830 177.584 -0.267 0.000 1.191 77 A CA 2.184 54.144 52.037 -0.127 0.000 0.623 77 A CB -0.570 18.396 19.000 -0.055 0.000 0.826 77 A HN 0.400 nan 8.150 nan 0.000 0.444 78 M N -0.547 118.689 119.600 -0.606 0.000 2.126 78 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 78 M C 2.166 178.331 176.300 -0.225 0.000 1.073 78 M CA 2.299 57.183 55.300 -0.692 0.000 1.103 78 M CB -0.528 31.649 32.600 -0.706 0.000 1.284 78 M HN 0.382 nan 8.290 nan 0.000 0.420 79 I N 0.942 121.416 120.570 -0.159 0.000 2.194 79 I HA -0.307 3.863 4.170 -0.000 0.000 0.246 79 I C 2.691 178.825 176.117 0.030 0.000 1.093 79 I CA 1.670 62.938 61.300 -0.053 0.000 1.355 79 I CB -0.777 37.188 38.000 -0.058 0.000 1.046 79 I HN 0.435 nan 8.210 nan 0.000 0.413 80 A N 0.526 123.367 122.820 0.034 0.000 1.892 80 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 80 A C 2.557 180.220 177.584 0.132 0.000 1.188 80 A CA 2.237 54.371 52.037 0.163 0.000 0.631 80 A CB -1.184 17.887 19.000 0.119 0.000 0.822 80 A HN 0.448 nan 8.150 nan 0.000 0.447 81 A N -0.472 122.393 122.820 0.074 0.000 1.940 81 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 81 A C 2.138 179.761 177.584 0.064 0.000 1.176 81 A CA 1.654 53.741 52.037 0.084 0.000 0.631 81 A CB -0.630 18.450 19.000 0.133 0.000 0.814 81 A HN 0.503 nan 8.150 nan 0.000 0.446 82 L N -1.530 119.727 121.223 0.057 0.000 2.201 82 L HA -0.104 4.236 4.340 -0.000 0.000 0.212 82 L C 1.920 178.815 176.870 0.041 0.000 1.105 82 L CA 1.481 56.348 54.840 0.045 0.000 0.775 82 L CB -0.140 41.940 42.059 0.034 0.000 0.913 82 L HN 0.311 nan 8.230 nan 0.000 0.440 83 K N -0.806 119.635 120.400 0.068 0.000 2.438 83 K HA 0.290 4.610 4.320 -0.000 0.000 0.206 83 K C 0.675 177.190 176.600 -0.142 0.000 1.081 83 K CA 0.473 56.778 56.287 0.030 0.000 1.053 83 K CB 1.257 33.869 32.500 0.188 0.000 0.908 83 K HN 0.168 nan 8.250 nan 0.000 0.556 84 G N 1.962 110.708 108.800 -0.090 0.000 2.289 84 G HA2 -0.272 3.687 3.960 -0.000 0.000 0.280 84 G HA3 -0.272 3.687 3.960 -0.000 0.000 0.280 84 G C -0.656 174.039 174.900 -0.343 0.000 1.089 84 G CA -0.107 44.892 45.100 -0.168 0.000 0.939 84 G HN 0.204 nan 8.290 nan 0.000 0.499 85 Y N -0.652 119.649 120.300 0.002 0.000 2.496 85 Y HA 0.716 5.266 4.550 -0.000 0.000 0.331 85 Y C 1.203 177.107 175.900 0.007 0.000 1.140 85 Y CA -0.969 57.132 58.100 0.002 0.000 1.166 85 Y CB 1.169 39.627 38.460 -0.004 0.000 1.249 85 Y HN 0.297 nan 8.280 nan 0.000 0.479 86 R N 1.985 122.592 120.500 0.177 0.000 2.474 86 R HA 0.638 4.978 4.340 -0.000 0.000 0.295 86 R C -0.974 175.387 176.300 0.102 0.000 0.980 86 R CA -0.772 55.395 56.100 0.111 0.000 0.934 86 R CB 1.104 31.449 30.300 0.074 0.000 1.101 86 R HN 0.461 nan 8.270 nan 0.000 0.469 87 M N 2.459 122.102 119.600 0.072 0.000 2.465 87 M HA 0.368 4.848 4.480 -0.000 0.000 0.316 87 M C -0.667 175.657 176.300 0.041 0.000 1.121 87 M CA -0.681 54.647 55.300 0.046 0.000 0.934 87 M CB 2.206 34.825 32.600 0.032 0.000 1.692 87 M HN 0.528 nan 8.290 nan 0.000 0.444 88 K N 2.877 123.297 120.400 0.032 0.000 2.207 88 K HA 0.799 5.119 4.320 -0.000 0.000 0.255 88 K C -1.224 175.393 176.600 0.029 0.000 0.941 88 K CA -0.994 55.312 56.287 0.032 0.000 0.825 88 K CB 2.068 34.586 32.500 0.031 0.000 1.119 88 K HN 0.372 nan 8.250 nan 0.000 0.430 89 L N 2.614 123.857 121.223 0.033 0.000 2.342 89 L HA 0.489 4.829 4.340 -0.000 0.000 0.271 89 L C -0.566 176.328 176.870 0.040 0.000 1.008 89 L CA -1.003 53.858 54.840 0.036 0.000 0.818 89 L CB 1.016 43.096 42.059 0.035 0.000 1.296 89 L HN 0.540 nan 8.230 nan 0.000 0.427 90 L N 3.355 124.607 121.223 0.049 0.000 2.287 90 L HA 0.653 4.993 4.340 -0.000 0.000 0.287 90 L C -0.128 176.776 176.870 0.056 0.000 1.022 90 L CA 0.204 55.073 54.840 0.049 0.000 0.814 90 L CB 1.508 43.598 42.059 0.051 0.000 1.217 90 L HN 0.598 nan 8.230 nan 0.000 0.420 91 M N 6.038 125.664 119.600 0.043 0.000 2.446 91 M HA 0.668 5.148 4.480 -0.000 0.000 0.294 91 M C -2.696 173.621 176.300 0.027 0.000 1.158 91 M CA -1.575 53.750 55.300 0.042 0.000 0.899 91 M CB 3.102 35.724 32.600 0.037 0.000 1.687 91 M HN 0.207 nan 8.290 nan 0.000 0.455 92 P HA 0.208 nan 4.420 nan 0.000 0.276 92 P C -1.334 175.970 177.300 0.006 0.000 1.244 92 P CA -0.060 63.046 63.100 0.009 0.000 0.801 92 P CB 0.427 32.128 31.700 0.001 0.000 1.006 93 D N 0.375 120.776 120.400 0.002 0.000 3.168 93 D HA 0.038 4.678 4.640 -0.000 0.000 0.255 93 D C 0.556 176.855 176.300 -0.002 0.000 1.314 93 D CA -0.409 53.592 54.000 0.001 0.000 0.900 93 D CB -0.993 39.808 40.800 0.002 0.000 1.072 93 D HN 0.289 nan 8.370 nan 0.000 0.487 94 N N -0.383 118.315 118.700 -0.004 0.000 2.200 94 N HA 0.025 4.765 4.740 -0.000 0.000 0.233 94 N C 0.380 175.887 175.510 -0.005 0.000 1.236 94 N CA -0.339 52.708 53.050 -0.006 0.000 0.845 94 N CB -0.278 38.203 38.487 -0.011 0.000 1.257 94 N HN 0.056 nan 8.380 nan 0.000 0.472 95 M N 2.875 122.472 119.600 -0.005 0.000 2.214 95 M HA -0.012 4.468 4.480 -0.000 0.000 0.306 95 M C 0.810 177.102 176.300 -0.013 0.000 0.998 95 M CA 0.141 55.436 55.300 -0.009 0.000 1.071 95 M CB 0.398 32.995 32.600 -0.005 0.000 1.466 95 M HN 0.370 nan 8.290 nan 0.000 0.433 96 S N 2.323 118.007 115.700 -0.027 0.000 2.614 96 S HA 0.193 4.663 4.470 -0.000 0.000 0.265 96 S C 0.591 175.177 174.600 -0.024 0.000 1.303 96 S CA -0.635 57.550 58.200 -0.025 0.000 1.000 96 S CB 0.784 63.959 63.200 -0.042 0.000 0.935 96 S HN 0.707 nan 8.310 nan 0.000 0.551 97 Q N 0.616 120.407 119.800 -0.014 0.000 2.245 97 Q HA -0.083 4.257 4.340 -0.000 0.000 0.201 97 Q C 1.794 177.785 176.000 -0.015 0.000 0.955 97 Q CA 1.119 56.916 55.803 -0.010 0.000 0.870 97 Q CB -0.232 28.505 28.738 -0.003 0.000 0.945 97 Q HN 0.834 nan 8.270 nan 0.000 0.461 98 E N 0.966 121.152 120.200 -0.025 0.000 2.209 98 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 98 E C 1.936 178.513 176.600 -0.038 0.000 0.993 98 E CA 0.668 57.049 56.400 -0.032 0.000 0.819 98 E CB -0.108 29.567 29.700 -0.043 0.000 0.745 98 E HN 0.239 nan 8.360 nan 0.000 0.477 99 R N 0.789 121.259 120.500 -0.051 0.000 2.062 99 R HA 0.009 4.349 4.340 -0.000 0.000 0.226 99 R C 2.442 178.740 176.300 -0.004 0.000 1.125 99 R CA 0.764 56.841 56.100 -0.038 0.000 0.966 99 R CB 0.003 30.271 30.300 -0.054 0.000 0.861 99 R HN -0.013 nan 8.270 nan 0.000 0.433 100 R N -0.259 120.239 120.500 -0.003 0.000 2.113 100 R HA -0.199 4.141 4.340 -0.000 0.000 0.244 100 R C 2.106 178.415 176.300 0.014 0.000 1.142 100 R CA 2.030 58.134 56.100 0.008 0.000 0.953 100 R CB -0.274 30.029 30.300 0.004 0.000 0.860 100 R HN 0.249 nan 8.270 nan 0.000 0.438 101 A N -0.045 122.778 122.820 0.005 0.000 1.898 101 A HA 0.047 4.367 4.320 -0.000 0.000 0.214 101 A C 2.207 179.792 177.584 0.002 0.000 1.183 101 A CA 1.228 53.265 52.037 -0.000 0.000 0.622 101 A CB -0.448 18.546 19.000 -0.011 0.000 0.824 101 A HN 0.446 nan 8.150 nan 0.000 0.444 102 A N -0.815 122.015 122.820 0.016 0.000 2.015 102 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 102 A C 2.199 179.877 177.584 0.157 0.000 1.163 102 A CA 1.625 53.689 52.037 0.045 0.000 0.646 102 A CB -0.459 18.591 19.000 0.083 0.000 0.806 102 A HN 0.520 nan 8.150 nan 0.000 0.448 103 M N -1.279 118.396 119.600 0.124 0.000 2.156 103 M HA -0.084 4.396 4.480 -0.000 0.000 0.264 103 M C 2.414 178.787 176.300 0.121 0.000 1.067 103 M CA 1.150 56.536 55.300 0.142 0.000 1.131 103 M CB -0.168 32.480 32.600 0.079 0.000 1.368 103 M HN 0.376 nan 8.290 nan 0.000 0.416 104 R N -0.018 120.522 120.500 0.067 0.000 2.073 104 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 104 R C 2.249 178.570 176.300 0.034 0.000 1.134 104 R CA 1.584 57.711 56.100 0.045 0.000 0.952 104 R CB -0.679 29.633 30.300 0.021 0.000 0.850 104 R HN 0.360 nan 8.270 nan 0.000 0.433 105 A N 0.559 123.373 122.820 -0.010 0.000 1.940 105 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 105 A C 1.636 179.162 177.584 -0.096 0.000 1.176 105 A CA 1.279 53.261 52.037 -0.091 0.000 0.631 105 A CB -0.682 18.204 19.000 -0.189 0.000 0.814 105 A HN 0.349 nan 8.150 nan 0.000 0.446 106 Y N -0.656 119.650 120.300 0.010 0.000 2.632 106 Y HA 0.248 4.798 4.550 -0.000 0.000 0.301 106 Y C 1.905 177.815 175.900 0.017 0.000 1.172 106 Y CA 0.546 58.654 58.100 0.014 0.000 1.328 106 Y CB -0.252 38.217 38.460 0.015 0.000 1.016 106 Y HN 0.498 nan 8.280 nan 0.000 0.529 107 G N -0.737 108.144 108.800 0.135 0.000 2.141 107 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.231 107 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.231 107 G C 0.309 175.259 174.900 0.084 0.000 0.984 107 G CA -0.126 45.027 45.100 0.088 0.000 0.660 107 G HN 0.612 nan 8.290 nan 0.000 0.525 108 A N -0.342 122.536 122.820 0.096 0.000 2.304 108 A HA 0.718 5.038 4.320 -0.000 0.000 0.271 108 A C 0.288 177.905 177.584 0.055 0.000 1.091 108 A CA -0.073 52.008 52.037 0.073 0.000 0.812 108 A CB 0.451 19.493 19.000 0.072 0.000 1.056 108 A HN 0.438 nan 8.150 nan 0.000 0.489 109 E N 0.122 120.349 120.200 0.046 0.000 2.152 109 E HA 0.378 4.728 4.350 -0.000 0.000 0.285 109 E C -0.901 175.720 176.600 0.035 0.000 1.043 109 E CA -0.178 56.245 56.400 0.037 0.000 0.839 109 E CB 1.116 30.837 29.700 0.034 0.000 1.069 109 E HN 0.413 nan 8.360 nan 0.000 0.399 110 L N 4.960 126.203 121.223 0.033 0.000 2.287 110 L HA 0.509 4.849 4.340 -0.000 0.000 0.287 110 L C -1.335 175.551 176.870 0.026 0.000 1.022 110 L CA -0.462 54.397 54.840 0.031 0.000 0.814 110 L CB 0.817 42.894 42.059 0.031 0.000 1.217 110 L HN 0.520 nan 8.230 nan 0.000 0.420 111 I N 5.634 126.220 120.570 0.027 0.000 2.418 111 I HA 0.399 4.569 4.170 -0.000 0.000 0.287 111 I C -0.801 175.329 176.117 0.023 0.000 1.008 111 I CA -0.144 61.170 61.300 0.023 0.000 1.104 111 I CB 1.518 39.533 38.000 0.024 0.000 1.264 111 I HN 0.504 nan 8.210 nan 0.000 0.438 112 L N 7.459 128.693 121.223 0.018 0.000 2.307 112 L HA 0.694 5.034 4.340 -0.000 0.000 0.282 112 L C -0.004 176.874 176.870 0.013 0.000 1.051 112 L CA -0.903 53.946 54.840 0.016 0.000 0.804 112 L CB 1.283 43.349 42.059 0.012 0.000 1.197 112 L HN 0.368 nan 8.230 nan 0.000 0.431 113 V N -0.831 119.090 119.914 0.011 0.000 3.096 113 V HA 0.591 4.711 4.120 -0.000 0.000 0.319 113 V C 0.380 176.475 176.094 0.001 0.000 1.103 113 V CA -0.588 61.716 62.300 0.006 0.000 1.016 113 V CB 1.706 33.532 31.823 0.005 0.000 1.090 113 V HN 0.730 nan 8.190 nan 0.000 0.449 114 T N 2.195 116.748 114.554 -0.002 0.000 2.903 114 T HA 0.112 4.462 4.350 -0.000 0.000 0.314 114 T C 1.212 175.906 174.700 -0.011 0.000 1.078 114 T CA 0.598 62.695 62.100 -0.005 0.000 1.114 114 T CB 0.635 69.499 68.868 -0.006 0.000 0.987 114 T HN 1.028 nan 8.240 nan 0.000 0.548 115 K N 1.925 122.316 120.400 -0.014 0.000 2.103 115 K HA -0.101 4.218 4.320 -0.000 0.000 0.204 115 K C 1.622 178.205 176.600 -0.029 0.000 1.052 115 K CA 1.204 57.478 56.287 -0.021 0.000 0.945 115 K CB 0.021 32.508 32.500 -0.021 0.000 0.722 115 K HN 0.485 nan 8.250 nan 0.000 0.443 116 E N 1.188 121.374 120.200 -0.022 0.000 2.160 116 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 116 E C 2.078 178.662 176.600 -0.026 0.000 0.991 116 E CA 1.425 57.812 56.400 -0.023 0.000 0.810 116 E CB 0.052 29.744 29.700 -0.015 0.000 0.742 116 E HN 0.567 nan 8.360 nan 0.000 0.466 117 Q N -0.450 119.336 119.800 -0.024 0.000 2.096 117 Q HA 0.061 4.401 4.340 -0.000 0.000 0.197 117 Q C 1.410 177.380 176.000 -0.051 0.000 0.964 117 Q CA 0.632 56.416 55.803 -0.031 0.000 0.838 117 Q CB -0.096 28.631 28.738 -0.019 0.000 0.906 117 Q HN 0.245 nan 8.270 nan 0.000 0.444 118 G N 1.200 109.976 108.800 -0.041 0.000 2.578 118 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.275 118 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.275 118 G C 0.565 175.438 174.900 -0.044 0.000 1.271 118 G CA 0.329 45.401 45.100 -0.047 0.000 0.941 118 G HN 0.143 nan 8.290 nan 0.000 0.564 119 M N -0.116 119.461 119.600 -0.038 0.000 2.175 119 M HA 0.005 4.485 4.480 -0.000 0.000 0.264 119 M C 2.464 178.725 176.300 -0.066 0.000 1.063 119 M CA 2.328 57.647 55.300 0.033 0.000 1.119 119 M CB -1.403 31.300 32.600 0.173 0.000 1.377 119 M HN 0.676 nan 8.290 nan 0.000 0.415 120 E N -0.265 119.811 120.200 -0.207 0.000 2.107 120 E HA -0.045 4.305 4.350 -0.000 0.000 0.191 120 E C 2.084 178.448 176.600 -0.393 0.000 0.982 120 E CA 1.292 57.316 56.400 -0.627 0.000 0.809 120 E CB -0.640 28.378 29.700 -1.135 0.000 0.756 120 E HN 0.587 nan 8.360 nan 0.000 0.459 121 G N 0.562 109.247 108.800 -0.191 0.000 2.432 121 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 121 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 121 G C 1.599 176.476 174.900 -0.038 0.000 1.135 121 G CA 0.790 45.847 45.100 -0.072 0.000 0.767 121 G HN 0.374 nan 8.290 nan 0.000 0.550 122 A N 0.489 123.285 122.820 -0.040 0.000 2.016 122 A HA 0.156 4.476 4.320 -0.000 0.000 0.217 122 A C 2.405 179.992 177.584 0.004 0.000 1.162 122 A CA 1.199 53.236 52.037 0.001 0.000 0.662 122 A CB -0.242 18.775 19.000 0.028 0.000 0.812 122 A HN 0.339 nan 8.150 nan 0.000 0.450 123 R N -0.030 120.438 120.500 -0.053 0.000 2.066 123 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 123 R C 1.611 177.924 176.300 0.022 0.000 1.131 123 R CA 1.512 57.583 56.100 -0.049 0.000 0.955 123 R CB -0.367 29.805 30.300 -0.213 0.000 0.851 123 R HN 0.423 nan 8.270 nan 0.000 0.432 124 D N 0.788 121.217 120.400 0.047 0.000 2.092 124 D HA -0.180 4.460 4.640 -0.000 0.000 0.193 124 D C 1.820 178.146 176.300 0.044 0.000 0.994 124 D CA 1.029 55.075 54.000 0.076 0.000 0.828 124 D CB -0.284 40.574 40.800 0.096 0.000 0.963 124 D HN 0.031 nan 8.370 nan 0.000 0.450 125 L N 0.878 122.120 121.223 0.031 0.000 2.083 125 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 125 L C 2.105 178.993 176.870 0.031 0.000 1.083 125 L CA 1.623 56.479 54.840 0.027 0.000 0.752 125 L CB -0.924 41.148 42.059 0.022 0.000 0.899 125 L HN -0.023 nan 8.230 nan 0.000 0.433 126 A N -0.379 122.463 122.820 0.037 0.000 1.865 126 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 126 A C 2.276 179.882 177.584 0.037 0.000 1.191 126 A CA 2.146 54.209 52.037 0.043 0.000 0.623 126 A CB -1.169 17.869 19.000 0.063 0.000 0.826 126 A HN 0.512 nan 8.150 nan 0.000 0.444 127 L N 0.391 121.636 121.223 0.037 0.000 2.042 127 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 127 L C 2.345 179.229 176.870 0.023 0.000 1.076 127 L CA 2.669 57.527 54.840 0.029 0.000 0.749 127 L CB -0.709 41.366 42.059 0.026 0.000 0.893 127 L HN 0.550 nan 8.230 nan 0.000 0.432 128 E N -0.451 119.763 120.200 0.024 0.000 2.038 128 E HA -0.304 4.046 4.350 -0.000 0.000 0.195 128 E C 2.223 178.834 176.600 0.018 0.000 1.000 128 E CA 1.865 58.276 56.400 0.019 0.000 0.803 128 E CB -0.596 29.116 29.700 0.020 0.000 0.750 128 E HN 0.562 nan 8.360 nan 0.000 0.448 129 M N 1.076 120.688 119.600 0.021 0.000 2.088 129 M HA -0.256 4.224 4.480 -0.000 0.000 0.256 129 M C 2.551 178.862 176.300 0.019 0.000 1.071 129 M CA 2.224 57.536 55.300 0.020 0.000 1.097 129 M CB -0.448 32.165 32.600 0.023 0.000 1.315 129 M HN 0.201 nan 8.290 nan 0.000 0.406 130 A N -0.096 122.736 122.820 0.020 0.000 1.902 130 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 130 A C 1.677 179.270 177.584 0.015 0.000 1.181 130 A CA 1.811 53.859 52.037 0.018 0.000 0.623 130 A CB -0.698 18.313 19.000 0.018 0.000 0.818 130 A HN 0.499 nan 8.150 nan 0.000 0.443 131 N N -0.461 118.247 118.700 0.014 0.000 2.434 131 N HA 0.059 4.799 4.740 -0.000 0.000 0.196 131 N C 1.049 176.565 175.510 0.011 0.000 1.183 131 N CA 0.306 53.363 53.050 0.011 0.000 0.849 131 N CB -0.013 38.480 38.487 0.009 0.000 0.992 131 N HN 0.524 nan 8.380 nan 0.000 0.460 132 R N -1.295 119.213 120.500 0.012 0.000 2.404 132 R HA 0.220 4.560 4.340 -0.000 0.000 0.237 132 R C 0.552 176.859 176.300 0.012 0.000 0.907 132 R CA 0.366 56.473 56.100 0.012 0.000 1.063 132 R CB 0.809 31.117 30.300 0.013 0.000 1.134 132 R HN 0.073 nan 8.270 nan 0.000 0.529 133 G N 1.742 110.550 108.800 0.014 0.000 2.141 133 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.195 133 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.195 133 G C 0.216 175.126 174.900 0.017 0.000 1.012 133 G CA -0.152 44.957 45.100 0.014 0.000 0.696 133 G HN 0.372 nan 8.290 nan 0.000 0.508 134 E N -0.368 119.843 120.200 0.018 0.000 2.474 134 E HA 0.447 4.797 4.350 -0.000 0.000 0.195 134 E C 1.266 177.879 176.600 0.023 0.000 1.039 134 E CA 0.481 56.893 56.400 0.020 0.000 0.881 134 E CB 0.685 30.397 29.700 0.020 0.000 0.970 134 E HN 1.190 nan 8.360 nan 0.000 0.486 135 G N 0.861 109.675 108.800 0.023 0.000 2.356 135 G HA2 0.042 4.002 3.960 -0.000 0.000 0.288 135 G HA3 0.042 4.002 3.960 -0.000 0.000 0.288 135 G C -1.643 173.269 174.900 0.020 0.000 1.302 135 G CA -1.116 43.999 45.100 0.025 0.000 0.887 135 G HN -0.063 nan 8.290 nan 0.000 0.521 136 K N -0.419 119.991 120.400 0.016 0.000 2.185 136 K HA 0.639 4.959 4.320 -0.000 0.000 0.269 136 K C -0.781 175.818 176.600 -0.001 0.000 0.987 136 K CA -0.668 55.622 56.287 0.006 0.000 0.865 136 K CB 2.254 34.754 32.500 0.001 0.000 1.090 136 K HN 0.384 nan 8.250 nan 0.000 0.450 137 L N 4.780 126.005 121.223 0.004 0.000 2.265 137 L HA 0.155 4.495 4.340 -0.000 0.000 0.289 137 L C 0.268 177.137 176.870 -0.001 0.000 1.033 137 L CA -0.063 54.782 54.840 0.009 0.000 0.814 137 L CB 0.738 42.811 42.059 0.023 0.000 1.203 137 L HN 0.728 nan 8.230 nan 0.000 0.423 138 L N 2.337 123.551 121.223 -0.014 0.000 2.209 138 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 138 L C 0.281 177.140 176.870 -0.017 0.000 1.094 138 L CA 0.938 55.759 54.840 -0.031 0.000 0.790 138 L CB -0.473 41.548 42.059 -0.062 0.000 0.932 138 L HN 0.892 nan 8.230 nan 0.000 0.447 139 D N 0.633 121.038 120.400 0.007 0.000 3.187 139 D HA -0.211 4.429 4.640 -0.000 0.000 0.244 139 D C 1.284 177.572 176.300 -0.020 0.000 1.114 139 D CA 0.767 54.801 54.000 0.057 0.000 0.920 139 D CB -0.296 40.550 40.800 0.077 0.000 0.970 139 D HN 0.558 nan 8.370 nan 0.000 0.418 140 Q N 0.092 119.783 119.800 -0.182 0.000 2.248 140 Q HA -0.158 4.182 4.340 -0.000 0.000 0.208 140 Q C 1.900 177.692 176.000 -0.348 0.000 0.984 140 Q CA 1.816 57.426 55.803 -0.321 0.000 0.875 140 Q CB -0.362 28.085 28.738 -0.485 0.000 0.910 140 Q HN 0.602 nan 8.270 nan 0.000 0.433 141 F N 0.833 120.735 119.950 -0.080 0.000 2.456 141 F HA 0.047 4.574 4.527 -0.000 0.000 0.298 141 F C 1.418 177.159 175.800 -0.097 0.000 1.104 141 F CA 0.540 58.458 58.000 -0.137 0.000 1.435 141 F CB 0.041 38.883 39.000 -0.262 0.000 1.078 141 F HN 0.130 nan 8.300 nan 0.000 0.546 142 N N -1.324 117.430 118.700 0.091 0.000 2.143 142 N HA -0.004 4.736 4.740 -0.000 0.000 0.222 142 N C -0.299 175.222 175.510 0.018 0.000 1.264 142 N CA 0.059 53.137 53.050 0.047 0.000 0.897 142 N CB 0.015 38.528 38.487 0.042 0.000 1.092 142 N HN 0.045 nan 8.380 nan 0.000 0.516 143 N N 3.384 122.085 118.700 0.002 0.000 2.411 143 N HA 0.121 4.861 4.740 -0.000 0.000 0.259 143 N C -1.751 173.756 175.510 -0.005 0.000 1.103 143 N CA -1.257 51.788 53.050 -0.009 0.000 0.954 143 N CB 1.539 40.011 38.487 -0.025 0.000 1.085 143 N HN 0.026 nan 8.380 nan 0.000 0.485 144 P HA 0.030 nan 4.420 nan 0.000 0.242 144 P C 0.148 177.457 177.300 0.016 0.000 1.197 144 P CA 0.373 63.475 63.100 0.004 0.000 0.765 144 P CB 0.586 32.283 31.700 -0.006 0.000 0.936 145 D N -0.096 120.310 120.400 0.010 0.000 2.224 145 D HA -0.117 4.523 4.640 -0.000 0.000 0.205 145 D C 1.805 178.122 176.300 0.028 0.000 0.965 145 D CA 0.738 54.746 54.000 0.014 0.000 0.852 145 D CB -0.418 40.378 40.800 -0.006 0.000 0.947 145 D HN 0.155 nan 8.370 nan 0.000 0.494 146 N N 1.194 119.910 118.700 0.027 0.000 2.083 146 N HA -0.076 4.663 4.740 -0.000 0.000 0.190 146 N C -1.235 174.370 175.510 0.159 0.000 1.047 146 N CA 1.219 54.307 53.050 0.063 0.000 0.845 146 N CB -1.119 37.377 38.487 0.015 0.000 1.025 146 N HN 0.032 nan 8.380 nan 0.000 0.428 147 P HA -0.136 nan 4.420 nan 0.000 0.222 147 P C 1.163 178.592 177.300 0.215 0.000 1.147 147 P CA 1.210 64.404 63.100 0.157 0.000 0.790 147 P CB -0.141 31.588 31.700 0.048 0.000 0.780 148 K N 0.504 120.999 120.400 0.159 0.000 2.147 148 K HA -0.126 4.194 4.320 -0.000 0.000 0.205 148 K C 2.007 178.703 176.600 0.160 0.000 1.049 148 K CA 1.278 57.678 56.287 0.188 0.000 0.936 148 K CB -0.495 32.078 32.500 0.121 0.000 0.722 148 K HN -0.046 nan 8.250 nan 0.000 0.446 149 A N 1.137 124.022 122.820 0.107 0.000 1.845 149 A HA -0.197 4.123 4.320 -0.000 0.000 0.215 149 A C 1.752 179.297 177.584 -0.066 0.000 1.195 149 A CA 1.906 53.929 52.037 -0.024 0.000 0.616 149 A CB -1.034 17.895 19.000 -0.119 0.000 0.832 149 A HN 0.524 nan 8.150 nan 0.000 0.443 150 H N -2.342 116.740 119.070 0.020 0.000 2.290 150 H HA -0.188 4.368 4.556 -0.000 0.000 0.298 150 H C 1.922 177.239 175.328 -0.019 0.000 1.087 150 H CA 2.042 58.091 56.048 0.002 0.000 1.291 150 H CB -0.712 29.072 29.762 0.036 0.000 1.369 150 H HN 0.679 nan 8.280 nan 0.000 0.492 151 Y N 1.723 122.071 120.300 0.081 0.000 2.315 151 Y HA -0.264 4.286 4.550 -0.000 0.000 0.288 151 Y C 2.231 178.108 175.900 -0.039 0.000 1.154 151 Y CA 1.605 59.721 58.100 0.026 0.000 1.229 151 Y CB -0.048 38.444 38.460 0.053 0.000 0.980 151 Y HN 0.387 nan 8.280 nan 0.000 0.540 152 T N -4.208 110.241 114.554 -0.175 0.000 3.010 152 T HA -0.014 4.336 4.350 -0.000 0.000 0.252 152 T C 1.534 176.067 174.700 -0.278 0.000 1.047 152 T CA 1.090 63.025 62.100 -0.275 0.000 1.140 152 T CB -0.514 68.279 68.868 -0.125 0.000 0.885 152 T HN 0.463 nan 8.240 nan 0.000 0.464 153 T N -0.704 113.721 114.554 -0.215 0.000 3.311 153 T HA 0.095 4.445 4.350 -0.000 0.000 0.239 153 T C 2.113 176.690 174.700 -0.204 0.000 0.976 153 T CA 0.844 62.824 62.100 -0.199 0.000 1.283 153 T CB -0.867 67.910 68.868 -0.151 0.000 1.113 153 T HN 0.190 nan 8.240 nan 0.000 0.392 154 T N 1.989 116.450 114.554 -0.154 0.000 2.620 154 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 154 T C 2.129 176.747 174.700 -0.136 0.000 1.044 154 T CA 2.005 64.056 62.100 -0.082 0.000 1.161 154 T CB -1.273 67.619 68.868 0.040 0.000 0.862 154 T HN 0.625 nan 8.240 nan 0.000 0.438 155 G N 2.260 110.911 108.800 -0.247 0.000 2.434 155 G HA2 -0.112 3.847 3.960 -0.000 0.000 0.214 155 G HA3 -0.112 3.847 3.960 -0.000 0.000 0.214 155 G C -0.671 173.803 174.900 -0.709 0.000 1.202 155 G CA 0.606 45.472 45.100 -0.391 0.000 0.788 155 G HN 0.406 nan 8.290 nan 0.000 0.539 156 P HA -0.045 nan 4.420 nan 0.000 0.218 156 P C 1.555 178.699 177.300 -0.260 0.000 1.146 156 P CA 1.192 63.744 63.100 -0.914 0.000 0.813 156 P CB 0.039 31.309 31.700 -0.717 0.000 0.778 157 E N -0.606 119.473 120.200 -0.201 0.000 2.028 157 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 157 E C 2.015 178.613 176.600 -0.002 0.000 0.984 157 E CA 0.894 57.249 56.400 -0.074 0.000 0.800 157 E CB -0.624 29.038 29.700 -0.064 0.000 0.758 157 E HN 0.223 nan 8.360 nan 0.000 0.448 158 I N 0.922 121.509 120.570 0.029 0.000 2.194 158 I HA -0.290 3.880 4.170 -0.000 0.000 0.246 158 I C 2.356 178.559 176.117 0.143 0.000 1.093 158 I CA 1.230 62.591 61.300 0.102 0.000 1.355 158 I CB -0.295 37.803 38.000 0.163 0.000 1.046 158 I HN 0.359 nan 8.210 nan 0.000 0.413 159 W N 1.065 122.365 121.300 0.001 0.000 2.381 159 W HA -0.230 4.430 4.660 -0.000 0.000 0.301 159 W C 2.363 178.885 176.519 0.005 0.000 1.205 159 W CA 1.198 58.580 57.345 0.062 0.000 1.285 159 W CB -0.033 29.563 29.460 0.227 0.000 1.133 159 W HN 0.143 nan 8.180 nan 0.000 0.521 160 Q N 0.506 120.351 119.800 0.075 0.000 2.389 160 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 160 Q C 2.016 177.939 176.000 -0.129 0.000 0.944 160 Q CA 1.318 57.093 55.803 -0.048 0.000 0.908 160 Q CB -0.350 28.404 28.738 0.026 0.000 1.002 160 Q HN 0.491 nan 8.270 nan 0.000 0.493 161 Q N -1.318 118.402 119.800 -0.132 0.000 2.398 161 Q HA 0.017 4.357 4.340 -0.000 0.000 0.204 161 Q C 1.191 176.978 176.000 -0.354 0.000 0.932 161 Q CA 1.365 57.044 55.803 -0.205 0.000 0.916 161 Q CB 0.499 29.143 28.738 -0.156 0.000 1.024 161 Q HN 0.399 nan 8.270 nan 0.000 0.504 162 T N -4.053 110.300 114.554 -0.336 0.000 3.054 162 T HA 0.432 4.782 4.350 -0.000 0.000 0.255 162 T C 1.240 175.681 174.700 -0.432 0.000 1.035 162 T CA 0.428 62.279 62.100 -0.415 0.000 0.941 162 T CB 0.778 69.456 68.868 -0.317 0.000 1.026 162 T HN 0.373 nan 8.240 nan 0.000 0.533 163 G N 1.344 109.883 108.800 -0.436 0.000 4.951 163 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.295 163 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.295 163 G C 0.618 175.044 174.900 -0.791 0.000 1.540 163 G CA -0.225 44.610 45.100 -0.441 0.000 1.044 163 G HN 1.555 nan 8.290 nan 0.000 0.731 164 G N -0.347 107.914 108.800 -0.899 0.000 4.876 164 G HA2 0.591 4.551 3.960 -0.000 0.000 0.219 164 G HA3 0.591 4.551 3.960 -0.000 0.000 0.219 164 G C 0.271 174.567 174.900 -1.006 0.000 0.877 164 G CA 1.188 45.399 45.100 -1.482 0.000 0.718 164 G HN 0.793 nan 8.290 nan 0.000 0.518 165 R N 0.406 120.408 120.500 -0.830 0.000 2.573 165 R HA 0.295 4.635 4.340 -0.000 0.000 0.224 165 R C 0.629 176.865 176.300 -0.108 0.000 0.904 165 R CA -0.329 55.585 56.100 -0.309 0.000 0.995 165 R CB 0.338 30.494 30.300 -0.240 0.000 1.430 165 R HN 0.351 nan 8.270 nan 0.000 0.631 166 I N 1.884 122.404 120.570 -0.083 0.000 2.775 166 I HA -0.096 4.074 4.170 -0.000 0.000 0.290 166 I C 0.873 177.127 176.117 0.228 0.000 1.203 166 I CA 0.803 62.184 61.300 0.134 0.000 1.433 166 I CB 1.613 39.746 38.000 0.223 0.000 1.354 166 I HN 0.163 nan 8.210 nan 0.000 0.579 167 T N 4.972 119.682 114.554 0.261 0.000 3.033 167 T HA 0.154 4.504 4.350 -0.000 0.000 0.248 167 T C 0.085 174.968 174.700 0.306 0.000 1.040 167 T CA 0.611 62.897 62.100 0.310 0.000 1.133 167 T CB -0.143 68.958 68.868 0.389 0.000 0.895 167 T HN 0.741 nan 8.240 nan 0.000 0.465 168 H N -0.808 118.376 119.070 0.190 0.000 2.768 168 H HA 0.565 5.121 4.556 -0.000 0.000 0.371 168 H C -1.729 173.765 175.328 0.277 0.000 1.151 168 H CA -1.082 55.086 56.048 0.200 0.000 1.165 168 H CB 1.400 31.244 29.762 0.137 0.000 1.722 168 H HN 0.185 nan 8.280 nan 0.000 0.543 169 F N 2.770 122.841 119.950 0.201 0.000 2.553 169 F HA 0.521 5.048 4.527 -0.000 0.000 0.335 169 F C -1.566 174.322 175.800 0.146 0.000 1.148 169 F CA -0.719 57.382 58.000 0.168 0.000 0.963 169 F CB 0.834 39.923 39.000 0.148 0.000 1.217 169 F HN 0.280 nan 8.300 nan 0.000 0.441 170 V N 4.857 124.537 119.914 -0.390 0.000 2.370 170 V HA 0.529 4.649 4.120 -0.000 0.000 0.279 170 V C -0.172 175.558 176.094 -0.605 0.000 1.029 170 V CA -0.454 61.643 62.300 -0.339 0.000 0.870 170 V CB 1.098 32.842 31.823 -0.132 0.000 0.984 170 V HN 0.783 nan 8.190 nan 0.000 0.451 171 S N 3.114 118.573 115.700 -0.402 0.000 2.532 171 S HA 0.496 4.966 4.470 -0.000 0.000 0.299 171 S C -0.202 174.352 174.600 -0.076 0.000 1.105 171 S CA -0.428 57.610 58.200 -0.270 0.000 1.018 171 S CB 1.611 64.766 63.200 -0.076 0.000 1.021 171 S HN 0.723 nan 8.310 nan 0.000 0.483 172 S N 4.697 120.368 115.700 -0.048 0.000 2.505 172 S HA 0.333 4.803 4.470 -0.000 0.000 0.276 172 S C -0.092 174.521 174.600 0.023 0.000 1.274 172 S CA -0.148 58.044 58.200 -0.013 0.000 1.053 172 S CB 0.116 63.308 63.200 -0.013 0.000 0.919 172 S HN 0.687 nan 8.310 nan 0.000 0.490 173 M N 3.651 123.264 119.600 0.022 0.000 2.080 173 M HA 0.351 4.831 4.480 -0.000 0.000 0.350 173 M C 1.064 177.412 176.300 0.080 0.000 1.173 173 M CA -0.372 54.957 55.300 0.048 0.000 1.052 173 M CB 1.139 33.749 32.600 0.017 0.000 1.577 173 M HN 0.843 nan 8.290 nan 0.000 0.455 174 G N 0.979 109.869 108.800 0.150 0.000 2.474 174 G HA2 0.029 3.989 3.960 -0.000 0.000 0.205 174 G HA3 0.029 3.989 3.960 -0.000 0.000 0.205 174 G C 0.943 176.123 174.900 0.467 0.000 1.934 174 G CA 0.180 45.452 45.100 0.286 0.000 0.713 174 G HN 0.504 nan 8.290 nan 0.000 0.773 175 T N 0.118 114.834 114.554 0.270 0.000 2.684 175 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 175 T C 1.618 176.387 174.700 0.115 0.000 1.036 175 T CA 2.734 64.913 62.100 0.132 0.000 1.148 175 T CB -0.353 68.481 68.868 -0.056 0.000 0.863 175 T HN 0.656 nan 8.240 nan 0.000 0.436 176 T N -1.671 112.940 114.554 0.095 0.000 5.395 176 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 176 T C 1.120 175.848 174.700 0.046 0.000 2.215 176 T CA 1.330 63.486 62.100 0.093 0.000 3.789 176 T CB -1.742 67.204 68.868 0.130 0.000 0.413 176 T HN 0.533 nan 8.240 nan 0.000 1.090 177 G N 0.004 108.786 108.800 -0.030 0.000 2.408 177 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 177 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 177 G C 1.374 176.052 174.900 -0.369 0.000 1.150 177 G CA 1.830 46.868 45.100 -0.103 0.000 0.776 177 G HN 0.598 nan 8.290 nan 0.000 0.542 178 T N 0.978 115.155 114.554 -0.627 0.000 2.569 178 T HA -0.152 4.198 4.350 -0.000 0.000 0.263 178 T C 2.237 176.855 174.700 -0.137 0.000 1.074 178 T CA 1.242 62.884 62.100 -0.763 0.000 1.176 178 T CB -0.278 68.462 68.868 -0.214 0.000 0.863 178 T HN 0.223 nan 8.240 nan 0.000 0.410 179 I N 0.359 120.984 120.570 0.090 0.000 2.118 179 I HA -0.267 3.903 4.170 -0.000 0.000 0.241 179 I C 2.490 178.674 176.117 0.111 0.000 1.070 179 I CA 1.604 63.051 61.300 0.246 0.000 1.327 179 I CB -0.384 37.779 38.000 0.271 0.000 1.034 179 I HN 0.288 nan 8.210 nan 0.000 0.405 180 T N 0.383 114.987 114.554 0.082 0.000 2.622 180 T HA -0.168 4.182 4.350 -0.000 0.000 0.266 180 T C 1.635 176.334 174.700 -0.002 0.000 1.047 180 T CA 1.680 63.807 62.100 0.044 0.000 1.159 180 T CB -0.951 67.953 68.868 0.059 0.000 0.863 180 T HN 0.656 nan 8.240 nan 0.000 0.422 181 G N 0.604 109.404 108.800 0.000 0.000 2.421 181 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.216 181 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.216 181 G C 1.700 176.688 174.900 0.148 0.000 1.171 181 G CA 0.781 45.934 45.100 0.088 0.000 0.775 181 G HN 0.435 nan 8.290 nan 0.000 0.543 182 V N 0.853 120.777 119.914 0.018 0.000 2.720 182 V HA -0.159 3.961 4.120 -0.000 0.000 0.256 182 V C 3.026 179.085 176.094 -0.058 0.000 1.082 182 V CA 2.129 64.363 62.300 -0.111 0.000 1.101 182 V CB 0.083 31.548 31.823 -0.596 0.000 0.693 182 V HN 0.518 nan 8.190 nan 0.000 0.479 183 S N -0.349 115.336 115.700 -0.026 0.000 2.362 183 S HA -0.164 4.306 4.470 -0.000 0.000 0.221 183 S C 1.881 176.478 174.600 -0.004 0.000 1.032 183 S CA 1.333 59.525 58.200 -0.014 0.000 0.973 183 S CB -0.192 63.009 63.200 0.002 0.000 0.849 183 S HN 0.731 nan 8.310 nan 0.000 0.465 184 E N 0.415 120.603 120.200 -0.021 0.000 2.068 184 E HA -0.248 4.102 4.350 -0.000 0.000 0.207 184 E C 1.823 178.525 176.600 0.171 0.000 1.032 184 E CA 1.733 58.079 56.400 -0.089 0.000 0.839 184 E CB -0.621 28.755 29.700 -0.540 0.000 0.758 184 E HN 0.689 nan 8.360 nan 0.000 0.457 185 F N 1.403 121.555 119.950 0.336 0.000 2.126 185 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 185 F C 2.324 178.072 175.800 -0.087 0.000 1.096 185 F CA 1.419 59.529 58.000 0.183 0.000 1.255 185 F CB -0.026 38.957 39.000 -0.028 0.000 0.997 185 F HN -0.082 nan 8.300 nan 0.000 0.479 186 M N -0.327 119.205 119.600 -0.113 0.000 2.254 186 M HA -0.078 4.402 4.480 -0.000 0.000 0.265 186 M C 2.137 178.257 176.300 -0.299 0.000 1.066 186 M CA 1.004 56.132 55.300 -0.288 0.000 1.123 186 M CB -1.107 31.440 32.600 -0.088 0.000 1.388 186 M HN 0.060 nan 8.290 nan 0.000 0.425 187 R N 1.436 121.825 120.500 -0.185 0.000 2.117 187 R HA -0.177 4.163 4.340 -0.000 0.000 0.243 187 R C 1.876 178.053 176.300 -0.205 0.000 1.143 187 R CA 1.593 57.599 56.100 -0.156 0.000 0.968 187 R CB -0.791 29.441 30.300 -0.113 0.000 0.863 187 R HN 0.632 nan 8.270 nan 0.000 0.444 188 E N 0.210 120.242 120.200 -0.280 0.000 2.216 188 E HA -0.061 4.289 4.350 -0.000 0.000 0.192 188 E C 0.191 176.567 176.600 -0.374 0.000 0.988 188 E CA 0.101 56.326 56.400 -0.291 0.000 0.834 188 E CB -0.089 29.431 29.700 -0.298 0.000 0.772 188 E HN 0.053 nan 8.360 nan 0.000 0.479 189 Q N 1.247 120.708 119.800 -0.566 0.000 2.263 189 Q HA 0.057 4.397 4.340 -0.000 0.000 0.289 189 Q C 0.628 176.455 176.000 -0.288 0.000 1.061 189 Q CA 0.250 55.698 55.803 -0.592 0.000 0.927 189 Q CB 1.026 29.142 28.738 -1.036 0.000 1.154 189 Q HN 0.091 nan 8.270 nan 0.000 0.378 190 S N 1.890 117.490 115.700 -0.166 0.000 2.555 190 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 190 S C 0.268 174.860 174.600 -0.013 0.000 0.978 190 S CA 0.721 58.878 58.200 -0.072 0.000 0.934 190 S CB 0.223 63.402 63.200 -0.036 0.000 0.766 190 S HN 0.302 nan 8.310 nan 0.000 0.533 191 K N 1.883 122.298 120.400 0.025 0.000 2.095 191 K HA 0.404 4.724 4.320 -0.000 0.000 0.252 191 K C -2.751 173.877 176.600 0.048 0.000 0.977 191 K CA -2.214 54.127 56.287 0.090 0.000 0.900 191 K CB 0.223 32.865 32.500 0.236 0.000 1.060 191 K HN -0.120 nan 8.250 nan 0.000 0.449 192 P HA 0.190 nan 4.420 nan 0.000 0.287 192 P C -1.084 176.256 177.300 0.066 0.000 1.281 192 P CA -0.469 62.651 63.100 0.033 0.000 0.781 192 P CB 0.906 32.625 31.700 0.031 0.000 0.903 193 V N 3.172 123.105 119.914 0.032 0.000 2.483 193 V HA 0.292 4.412 4.120 -0.000 0.000 0.297 193 V C 0.307 176.388 176.094 -0.022 0.000 1.027 193 V CA -0.443 61.891 62.300 0.056 0.000 0.855 193 V CB 1.800 33.709 31.823 0.144 0.000 0.995 193 V HN 0.445 nan 8.190 nan 0.000 0.424 194 T N 6.258 120.724 114.554 -0.147 0.000 2.723 194 T HA 0.501 4.851 4.350 -0.000 0.000 0.297 194 T C 0.068 174.719 174.700 -0.082 0.000 0.925 194 T CA 0.053 62.008 62.100 -0.241 0.000 1.030 194 T CB 0.180 68.638 68.868 -0.684 0.000 0.905 194 T HN 0.689 nan 8.240 nan 0.000 0.502 195 I N 1.861 122.465 120.570 0.056 0.000 2.312 195 I HA 0.667 4.837 4.170 -0.000 0.000 0.291 195 I C -0.601 175.626 176.117 0.182 0.000 1.031 195 I CA -0.695 60.734 61.300 0.216 0.000 1.293 195 I CB 0.690 38.836 38.000 0.242 0.000 1.403 195 I HN 0.185 nan 8.210 nan 0.000 0.484 196 V N 5.802 125.830 119.914 0.189 0.000 2.547 196 V HA 0.863 4.983 4.120 -0.000 0.000 0.299 196 V C 0.697 176.848 176.094 0.093 0.000 1.040 196 V CA -0.345 62.034 62.300 0.131 0.000 0.913 196 V CB 1.451 33.353 31.823 0.133 0.000 0.992 196 V HN 0.981 nan 8.190 nan 0.000 0.449 197 G N 3.397 112.249 108.800 0.088 0.000 2.571 197 G HA2 0.767 4.727 3.960 -0.000 0.000 0.304 197 G HA3 0.767 4.727 3.960 -0.000 0.000 0.304 197 G C -1.502 173.420 174.900 0.037 0.000 1.314 197 G CA -0.655 44.487 45.100 0.069 0.000 0.975 197 G HN 0.598 nan 8.290 nan 0.000 0.485 198 L N 0.682 121.911 121.223 0.010 0.000 2.381 198 L HA 0.642 4.982 4.340 -0.000 0.000 0.268 198 L C -0.292 176.565 176.870 -0.020 0.000 0.997 198 L CA -0.852 53.984 54.840 -0.006 0.000 0.818 198 L CB 2.306 44.353 42.059 -0.019 0.000 1.310 198 L HN 0.390 nan 8.230 nan 0.000 0.416 199 Q N 1.812 121.594 119.800 -0.029 0.000 2.423 199 Q HA 0.486 4.825 4.340 -0.000 0.000 0.278 199 Q C -2.601 173.361 176.000 -0.064 0.000 1.097 199 Q CA -2.003 53.767 55.803 -0.055 0.000 0.809 199 Q CB 3.218 31.921 28.738 -0.059 0.000 1.391 199 Q HN 0.306 nan 8.270 nan 0.000 0.428 200 P HA -0.069 nan 4.420 nan 0.000 0.269 200 P C -0.346 176.896 177.300 -0.095 0.000 1.215 200 P CA 0.119 63.155 63.100 -0.106 0.000 0.780 200 P CB 0.716 32.334 31.700 -0.137 0.000 0.898 201 E N 1.091 121.229 120.200 -0.104 0.000 3.570 201 E HA -0.015 4.335 4.350 -0.000 0.000 0.298 201 E C -0.183 176.364 176.600 -0.087 0.000 1.489 201 E CA -0.363 55.991 56.400 -0.076 0.000 1.457 201 E CB 0.298 29.964 29.700 -0.057 0.000 1.247 201 E HN 0.433 nan 8.360 nan 0.000 0.778 202 E N -0.514 119.650 120.200 -0.061 0.000 2.104 202 E HA 0.346 4.696 4.350 -0.000 0.000 0.278 202 E C 0.298 176.852 176.600 -0.077 0.000 1.127 202 E CA 0.314 56.679 56.400 -0.058 0.000 0.897 202 E CB 0.526 30.209 29.700 -0.028 0.000 1.043 202 E HN 0.766 nan 8.360 nan 0.000 0.410 203 G N 2.986 111.730 108.800 -0.093 0.000 2.141 203 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 203 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 203 G C 0.041 174.856 174.900 -0.142 0.000 0.984 203 G CA -0.004 45.036 45.100 -0.099 0.000 0.660 203 G HN 0.477 nan 8.290 nan 0.000 0.525 204 S N 1.027 116.621 115.700 -0.177 0.000 2.642 204 S HA 0.544 5.014 4.470 -0.000 0.000 0.309 204 S C 0.519 175.020 174.600 -0.166 0.000 1.125 204 S CA -0.017 58.048 58.200 -0.225 0.000 1.055 204 S CB 1.456 64.488 63.200 -0.280 0.000 1.157 204 S HN 0.425 nan 8.310 nan 0.000 0.513 205 S N 3.440 119.058 115.700 -0.137 0.000 2.457 205 S HA 0.268 4.738 4.470 -0.000 0.000 0.294 205 S C -0.012 174.533 174.600 -0.092 0.000 1.201 205 S CA -0.165 57.971 58.200 -0.107 0.000 1.112 205 S CB -0.477 62.675 63.200 -0.080 0.000 1.018 205 S HN 0.548 nan 8.310 nan 0.000 0.511 206 I N 6.635 127.151 120.570 -0.089 0.000 2.447 206 I HA 0.351 4.521 4.170 -0.000 0.000 0.287 206 I C -2.364 173.735 176.117 -0.030 0.000 1.023 206 I CA -2.462 58.804 61.300 -0.057 0.000 1.083 206 I CB 2.236 40.194 38.000 -0.070 0.000 1.245 206 I HN 0.339 nan 8.210 nan 0.000 0.434 207 P HA 0.335 nan 4.420 nan 0.000 0.276 207 P C 0.733 178.084 177.300 0.084 0.000 1.230 207 P CA 0.209 63.346 63.100 0.063 0.000 0.776 207 P CB 1.178 32.956 31.700 0.129 0.000 0.888 208 G N 2.155 110.997 108.800 0.069 0.000 2.313 208 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.215 208 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.215 208 G C 0.028 174.968 174.900 0.067 0.000 1.023 208 G CA 0.229 45.379 45.100 0.083 0.000 0.626 208 G HN 0.715 nan 8.290 nan 0.000 0.503 209 I N -2.604 117.970 120.570 0.007 0.000 3.145 209 I HA 0.984 5.154 4.170 -0.000 0.000 0.313 209 I C -0.645 175.368 176.117 -0.174 0.000 1.122 209 I CA -1.658 59.625 61.300 -0.028 0.000 0.987 209 I CB 2.398 40.379 38.000 -0.031 0.000 1.236 209 I HN 0.252 nan 8.210 nan 0.000 0.453 210 R N 1.726 122.057 120.500 -0.281 0.000 2.634 210 R HA 0.366 4.706 4.340 -0.000 0.000 0.263 210 R C -1.509 174.500 176.300 -0.485 0.000 1.060 210 R CA -0.854 54.900 56.100 -0.577 0.000 0.898 210 R CB 2.180 31.699 30.300 -1.301 0.000 1.253 210 R HN 0.834 nan 8.270 nan 0.000 0.461 211 R N 3.280 123.555 120.500 -0.375 0.000 2.205 211 R HA 0.156 4.496 4.340 -0.000 0.000 0.342 211 R C -1.122 175.047 176.300 -0.218 0.000 1.058 211 R CA -0.245 55.718 56.100 -0.227 0.000 0.904 211 R CB 0.438 30.660 30.300 -0.129 0.000 1.089 211 R HN 0.429 nan 8.270 nan 0.000 0.471 212 W N 6.526 127.795 121.300 -0.052 0.000 2.304 212 W HA 0.237 4.897 4.660 -0.000 0.000 0.313 212 W C -1.504 175.020 176.519 0.008 0.000 1.323 212 W CA -1.696 55.634 57.345 -0.025 0.000 1.223 212 W CB 0.511 29.962 29.460 -0.015 0.000 1.237 212 W HN 0.500 nan 8.180 nan 0.000 0.535 213 P HA -0.056 nan 4.420 nan 0.000 0.270 213 P C 0.934 178.370 177.300 0.226 0.000 1.221 213 P CA 0.392 63.622 63.100 0.217 0.000 0.788 213 P CB 0.572 32.420 31.700 0.247 0.000 0.904 214 T N 0.335 114.972 114.554 0.138 0.000 2.684 214 T HA -0.161 4.189 4.350 -0.000 0.000 0.267 214 T C 1.314 176.041 174.700 0.046 0.000 1.036 214 T CA 1.615 63.767 62.100 0.087 0.000 1.148 214 T CB -0.437 68.462 68.868 0.053 0.000 0.863 214 T HN 0.643 nan 8.240 nan 0.000 0.436 215 E N 0.331 120.526 120.200 -0.008 0.000 2.502 215 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 215 E C 0.279 176.660 176.600 -0.365 0.000 1.062 215 E CA 0.635 56.926 56.400 -0.182 0.000 0.867 215 E CB -0.306 29.241 29.700 -0.255 0.000 0.888 215 E HN 0.639 nan 8.360 nan 0.000 0.510 216 Y N 1.226 121.520 120.300 -0.010 0.000 2.636 216 Y HA 0.205 4.755 4.550 -0.000 0.000 0.260 216 Y C 0.885 176.693 175.900 -0.154 0.000 1.177 216 Y CA -0.752 57.290 58.100 -0.097 0.000 1.209 216 Y CB 0.707 39.143 38.460 -0.040 0.000 1.166 216 Y HN 0.026 nan 8.280 nan 0.000 0.531 217 L N 3.590 124.837 121.223 0.040 0.000 2.597 217 L HA 0.230 4.570 4.340 -0.000 0.000 0.271 217 L C -2.601 174.243 176.870 -0.044 0.000 1.157 217 L CA -1.127 53.731 54.840 0.031 0.000 0.928 217 L CB 0.252 42.365 42.059 0.090 0.000 1.216 217 L HN 0.018 nan 8.230 nan 0.000 0.481 218 P HA -0.030 nan 4.420 nan 0.000 0.255 218 P C 1.070 178.402 177.300 0.054 0.000 1.151 218 P CA 0.728 63.796 63.100 -0.052 0.000 0.767 218 P CB 0.395 32.075 31.700 -0.033 0.000 0.736 219 G N 3.920 112.739 108.800 0.032 0.000 2.485 219 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.221 219 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.221 219 G C 1.129 176.063 174.900 0.057 0.000 1.115 219 G CA 0.629 45.752 45.100 0.038 0.000 0.751 219 G HN 0.673 nan 8.290 nan 0.000 0.567 220 I N -2.875 117.740 120.570 0.076 0.000 3.059 220 I HA 0.326 4.496 4.170 -0.000 0.000 0.270 220 I C 1.350 177.546 176.117 0.131 0.000 1.238 220 I CA -0.564 60.779 61.300 0.071 0.000 1.478 220 I CB -0.350 37.683 38.000 0.055 0.000 1.097 220 I HN 0.022 nan 8.210 nan 0.000 0.455 221 F N 3.623 123.574 119.950 0.002 0.000 2.539 221 F HA 0.143 4.670 4.527 -0.000 0.000 0.340 221 F C 0.541 176.342 175.800 0.002 0.000 1.185 221 F CA 0.234 58.243 58.000 0.014 0.000 1.333 221 F CB 0.448 39.470 39.000 0.037 0.000 1.152 221 F HN 0.089 nan 8.300 nan 0.000 0.602 222 N N 2.824 120.989 118.700 -0.891 0.000 3.151 222 N HA 0.154 4.894 4.740 -0.000 0.000 0.219 222 N C -0.009 175.012 175.510 -0.815 0.000 1.434 222 N CA 0.306 52.969 53.050 -0.645 0.000 0.767 222 N CB 0.988 39.301 38.487 -0.292 0.000 1.564 222 N HN 0.713 nan 8.380 nan 0.000 0.612 223 A N 0.916 123.212 122.820 -0.875 0.000 2.076 223 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 223 A C 1.656 179.090 177.584 -0.249 0.000 1.160 223 A CA 2.018 53.719 52.037 -0.559 0.000 0.653 223 A CB -0.304 18.548 19.000 -0.247 0.000 0.801 223 A HN 0.597 nan 8.150 nan 0.000 0.455 224 S N -0.291 115.278 115.700 -0.219 0.000 2.555 224 S HA 0.098 4.568 4.470 -0.000 0.000 0.230 224 S C 1.354 175.891 174.600 -0.105 0.000 0.978 224 S CA 0.855 58.979 58.200 -0.127 0.000 0.934 224 S CB -0.278 62.853 63.200 -0.114 0.000 0.766 224 S HN 0.533 nan 8.310 nan 0.000 0.533 225 L N 0.699 121.845 121.223 -0.129 0.000 2.463 225 L HA 0.235 4.575 4.340 -0.000 0.000 0.219 225 L C -0.069 176.801 176.870 -0.001 0.000 1.088 225 L CA 0.203 55.002 54.840 -0.069 0.000 0.849 225 L CB 0.190 42.204 42.059 -0.076 0.000 1.012 225 L HN 0.164 nan 8.230 nan 0.000 0.468 226 V N 0.296 120.219 119.914 0.014 0.000 2.311 226 V HA 0.096 4.216 4.120 -0.000 0.000 0.275 226 V C 0.104 176.246 176.094 0.079 0.000 1.022 226 V CA -0.385 61.977 62.300 0.103 0.000 0.830 226 V CB 1.270 33.230 31.823 0.229 0.000 1.012 226 V HN 0.133 nan 8.190 nan 0.000 0.452 227 D N 2.672 123.113 120.400 0.069 0.000 2.077 227 D HA -0.043 4.597 4.640 -0.000 0.000 0.196 227 D C 0.894 177.235 176.300 0.067 0.000 0.986 227 D CA 1.364 55.395 54.000 0.051 0.000 0.829 227 D CB 0.506 41.327 40.800 0.035 0.000 0.983 227 D HN 0.687 nan 8.370 nan 0.000 0.453 228 E N -0.543 119.708 120.200 0.085 0.000 2.369 228 E HA 0.500 4.850 4.350 -0.000 0.000 0.270 228 E C -1.710 174.948 176.600 0.097 0.000 0.909 228 E CA -0.753 55.698 56.400 0.086 0.000 0.775 228 E CB 2.321 32.069 29.700 0.080 0.000 1.270 228 E HN -0.242 nan 8.360 nan 0.000 0.445 229 V N 3.354 123.319 119.914 0.086 0.000 2.487 229 V HA 0.366 4.486 4.120 -0.000 0.000 0.298 229 V C -0.752 175.372 176.094 0.050 0.000 1.028 229 V CA -0.833 61.512 62.300 0.075 0.000 0.860 229 V CB 1.374 33.245 31.823 0.080 0.000 0.991 229 V HN 0.557 nan 8.190 nan 0.000 0.427 230 L N 3.457 124.703 121.223 0.038 0.000 2.352 230 L HA 0.607 4.947 4.340 -0.000 0.000 0.269 230 L C -0.290 176.588 176.870 0.012 0.000 1.034 230 L CA -0.235 54.621 54.840 0.026 0.000 0.806 230 L CB 1.631 43.705 42.059 0.024 0.000 1.244 230 L HN 0.665 nan 8.230 nan 0.000 0.447 231 D N 2.003 122.410 120.400 0.011 0.000 2.308 231 D HA 0.549 5.189 4.640 -0.000 0.000 0.242 231 D C -0.621 175.684 176.300 0.008 0.000 1.059 231 D CA -0.190 53.812 54.000 0.003 0.000 0.830 231 D CB 1.602 42.406 40.800 0.007 0.000 1.161 231 D HN 0.128 nan 8.370 nan 0.000 0.494 232 I N 2.004 122.571 120.570 -0.005 0.000 2.433 232 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 232 I C -0.260 175.861 176.117 0.007 0.000 1.001 232 I CA -0.603 60.700 61.300 0.004 0.000 1.119 232 I CB 1.573 39.562 38.000 -0.019 0.000 1.289 232 I HN 0.493 nan 8.210 nan 0.000 0.438 233 H N 4.638 123.683 119.070 -0.042 0.000 2.525 233 H HA 0.111 4.667 4.556 -0.000 0.000 0.339 233 H C 1.159 176.456 175.328 -0.051 0.000 1.109 233 H CA 0.014 56.036 56.048 -0.044 0.000 1.352 233 H CB 1.388 31.127 29.762 -0.039 0.000 1.461 233 H HN 0.637 nan 8.280 nan 0.000 0.533 234 Q N 3.300 122.883 119.800 -0.362 0.000 2.170 234 Q HA -0.199 4.141 4.340 -0.000 0.000 0.203 234 Q C 1.120 177.125 176.000 0.007 0.000 0.976 234 Q CA 1.378 57.082 55.803 -0.165 0.000 0.858 234 Q CB 0.174 28.774 28.738 -0.229 0.000 0.907 234 Q HN 0.567 nan 8.270 nan 0.000 0.433 235 R N 0.778 121.428 120.500 0.250 0.000 2.119 235 R HA -0.013 4.327 4.340 -0.000 0.000 0.222 235 R C 1.168 177.512 176.300 0.075 0.000 1.088 235 R CA 1.500 57.703 56.100 0.171 0.000 0.984 235 R CB 0.009 30.427 30.300 0.198 0.000 0.884 235 R HN 0.448 nan 8.270 nan 0.000 0.447 236 D N -0.218 120.248 120.400 0.110 0.000 2.355 236 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 236 D C 1.209 177.504 176.300 -0.009 0.000 1.004 236 D CA 0.849 54.861 54.000 0.021 0.000 0.880 236 D CB 0.118 40.932 40.800 0.023 0.000 0.911 236 D HN 0.242 nan 8.370 nan 0.000 0.528 237 A N 1.041 123.852 122.820 -0.014 0.000 1.943 237 A HA -0.072 4.248 4.320 -0.000 0.000 0.213 237 A C 1.943 179.462 177.584 -0.108 0.000 1.181 237 A CA 0.465 52.466 52.037 -0.061 0.000 0.653 237 A CB -0.138 18.822 19.000 -0.066 0.000 0.833 237 A HN 0.217 nan 8.150 nan 0.000 0.451 238 E N -0.097 120.036 120.200 -0.111 0.000 2.216 238 E HA -0.124 4.226 4.350 -0.000 0.000 0.192 238 E C 1.157 177.651 176.600 -0.176 0.000 0.988 238 E CA 0.944 57.237 56.400 -0.179 0.000 0.834 238 E CB -0.357 29.251 29.700 -0.153 0.000 0.772 238 E HN 0.411 nan 8.360 nan 0.000 0.479 239 N N 0.785 119.421 118.700 -0.107 0.000 2.216 239 N HA -0.041 4.699 4.740 -0.000 0.000 0.183 239 N C 1.672 177.132 175.510 -0.084 0.000 1.017 239 N CA 1.410 54.407 53.050 -0.089 0.000 0.861 239 N CB -0.212 38.239 38.487 -0.059 0.000 0.986 239 N HN 0.110 nan 8.380 nan 0.000 0.428 240 T N 1.101 115.608 114.554 -0.077 0.000 2.937 240 T HA 0.025 4.375 4.350 -0.000 0.000 0.260 240 T C 1.852 176.514 174.700 -0.063 0.000 1.051 240 T CA 0.482 62.547 62.100 -0.060 0.000 1.141 240 T CB 0.025 68.863 68.868 -0.050 0.000 0.879 240 T HN 0.241 nan 8.240 nan 0.000 0.459 241 M N 1.275 120.814 119.600 -0.101 0.000 2.065 241 M HA -0.169 4.311 4.480 -0.000 0.000 0.259 241 M C 2.265 178.530 176.300 -0.059 0.000 1.069 241 M CA 1.810 57.048 55.300 -0.103 0.000 1.110 241 M CB -0.207 32.268 32.600 -0.208 0.000 1.328 241 M HN 0.042 nan 8.290 nan 0.000 0.405 242 R N 0.167 120.559 120.500 -0.181 0.000 2.120 242 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 242 R C 1.981 178.304 176.300 0.038 0.000 1.123 242 R CA 1.848 57.890 56.100 -0.095 0.000 0.975 242 R CB -0.442 29.737 30.300 -0.203 0.000 0.866 242 R HN 0.618 nan 8.270 nan 0.000 0.446 243 E N 0.530 120.727 120.200 -0.005 0.000 2.265 243 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 243 E C 1.863 178.484 176.600 0.035 0.000 0.996 243 E CA 0.665 57.070 56.400 0.009 0.000 0.832 243 E CB 0.070 29.762 29.700 -0.014 0.000 0.756 243 E HN 0.326 nan 8.360 nan 0.000 0.491 244 L N -0.232 121.023 121.223 0.054 0.000 2.127 244 L HA -0.029 4.311 4.340 -0.000 0.000 0.203 244 L C 2.361 179.289 176.870 0.098 0.000 1.080 244 L CA 0.712 55.588 54.840 0.059 0.000 0.768 244 L CB -0.166 41.923 42.059 0.050 0.000 0.924 244 L HN 0.134 nan 8.230 nan 0.000 0.444 245 A N -0.721 122.203 122.820 0.173 0.000 1.855 245 A HA -0.130 4.190 4.320 -0.000 0.000 0.213 245 A C 2.195 179.846 177.584 0.111 0.000 1.195 245 A CA 1.139 53.284 52.037 0.180 0.000 0.610 245 A CB -0.859 18.324 19.000 0.305 0.000 0.837 245 A HN 0.137 nan 8.150 nan 0.000 0.444 246 V N 0.099 120.083 119.914 0.117 0.000 2.439 246 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 246 V C 2.418 178.537 176.094 0.041 0.000 1.074 246 V CA 2.403 64.745 62.300 0.070 0.000 1.076 246 V CB -0.660 31.203 31.823 0.067 0.000 0.664 246 V HN 0.542 nan 8.190 nan 0.000 0.461 247 R N -1.695 118.828 120.500 0.038 0.000 2.469 247 R HA 0.181 4.521 4.340 -0.000 0.000 0.250 247 R C 1.127 177.433 176.300 0.010 0.000 0.909 247 R CA 0.123 56.233 56.100 0.017 0.000 1.050 247 R CB 0.668 30.973 30.300 0.007 0.000 1.256 247 R HN 0.457 nan 8.270 nan 0.000 0.550 248 E N -0.674 119.540 120.200 0.023 0.000 2.633 248 E HA 0.131 4.480 4.350 -0.000 0.000 0.222 248 E C 0.837 177.454 176.600 0.028 0.000 0.899 248 E CA 0.594 57.002 56.400 0.014 0.000 1.292 248 E CB 1.452 31.157 29.700 0.009 0.000 1.257 248 E HN 0.320 nan 8.360 nan 0.000 0.626 249 G N 2.272 111.099 108.800 0.045 0.000 2.175 249 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.265 249 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.265 249 G C 0.236 175.186 174.900 0.083 0.000 0.979 249 G CA 0.558 45.688 45.100 0.050 0.000 0.663 249 G HN 0.196 nan 8.290 nan 0.000 0.533 250 I N 0.682 121.309 120.570 0.094 0.000 2.337 250 I HA 0.499 4.668 4.170 -0.000 0.000 0.291 250 I C 0.017 176.247 176.117 0.187 0.000 1.046 250 I CA -0.822 60.547 61.300 0.116 0.000 1.324 250 I CB 0.692 38.736 38.000 0.073 0.000 1.409 250 I HN 0.119 nan 8.210 nan 0.000 0.494 251 F N 8.715 128.676 119.950 0.019 0.000 2.361 251 F HA 0.602 5.128 4.527 -0.000 0.000 0.364 251 F C -0.012 175.799 175.800 0.018 0.000 1.117 251 F CA -0.969 57.031 58.000 0.000 0.000 1.071 251 F CB 0.528 39.489 39.000 -0.065 0.000 1.188 251 F HN 0.628 nan 8.300 nan 0.000 0.464 252 C N 3.667 122.728 119.300 -0.399 0.000 3.171 252 C HA 0.962 5.422 4.460 -0.000 0.000 0.308 252 C C 0.510 175.292 174.990 -0.346 0.000 1.334 252 C CA -0.355 58.500 59.018 -0.272 0.000 1.473 252 C CB 1.097 28.782 27.740 -0.092 0.000 1.866 252 C HN 1.122 nan 8.230 nan 0.000 0.465 253 G N 0.160 108.737 108.800 -0.373 0.000 2.651 253 G HA2 0.425 4.385 3.960 -0.000 0.000 0.260 253 G HA3 0.425 4.385 3.960 -0.000 0.000 0.260 253 G C 0.951 175.539 174.900 -0.520 0.000 1.216 253 G CA 0.132 44.746 45.100 -0.810 0.000 0.913 253 G HN 2.060 nan 8.290 nan 0.000 0.535 254 V N -0.711 118.844 119.914 -0.599 0.000 2.515 254 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 254 V C 2.551 178.533 176.094 -0.186 0.000 1.058 254 V CA 2.652 64.765 62.300 -0.311 0.000 1.064 254 V CB -0.452 31.226 31.823 -0.243 0.000 0.675 254 V HN 0.637 nan 8.190 nan 0.000 0.461 255 S N 0.566 116.174 115.700 -0.152 0.000 2.402 255 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 255 S C 2.052 176.610 174.600 -0.069 0.000 1.030 255 S CA 2.249 60.407 58.200 -0.070 0.000 1.003 255 S CB -0.485 62.710 63.200 -0.008 0.000 0.813 255 S HN 0.884 nan 8.310 nan 0.000 0.477 256 S N 0.224 115.869 115.700 -0.092 0.000 2.371 256 S HA 0.123 4.593 4.470 -0.000 0.000 0.221 256 S C 2.093 176.654 174.600 -0.066 0.000 1.036 256 S CA 0.700 58.861 58.200 -0.065 0.000 0.965 256 S CB -0.892 62.271 63.200 -0.062 0.000 0.845 256 S HN 0.621 nan 8.310 nan 0.000 0.475 257 G N 1.202 109.948 108.800 -0.089 0.000 2.559 257 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 257 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 257 G C 1.218 176.076 174.900 -0.070 0.000 1.126 257 G CA 0.755 45.810 45.100 -0.076 0.000 0.778 257 G HN 0.539 nan 8.290 nan 0.000 0.543 258 G N 1.097 109.853 108.800 -0.073 0.000 2.425 258 G HA2 0.122 4.082 3.960 -0.000 0.000 0.213 258 G HA3 0.122 4.082 3.960 -0.000 0.000 0.213 258 G C 2.031 176.903 174.900 -0.048 0.000 1.201 258 G CA 1.217 46.283 45.100 -0.056 0.000 0.799 258 G HN 0.498 nan 8.290 nan 0.000 0.534 259 A N 0.071 122.860 122.820 -0.052 0.000 2.024 259 A HA 0.074 4.394 4.320 -0.000 0.000 0.220 259 A C 2.495 180.048 177.584 -0.052 0.000 1.164 259 A CA 1.723 53.725 52.037 -0.058 0.000 0.643 259 A CB -0.474 18.483 19.000 -0.072 0.000 0.806 259 A HN 0.271 nan 8.150 nan 0.000 0.451 260 V N -0.458 119.430 119.914 -0.044 0.000 2.667 260 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 260 V C 2.943 179.017 176.094 -0.035 0.000 1.065 260 V CA 1.505 63.783 62.300 -0.036 0.000 1.083 260 V CB -1.073 30.730 31.823 -0.033 0.000 0.692 260 V HN 0.633 nan 8.190 nan 0.000 0.468 261 A N 0.871 123.670 122.820 -0.035 0.000 1.841 261 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 261 A C 2.471 180.040 177.584 -0.024 0.000 1.199 261 A CA 2.151 54.170 52.037 -0.029 0.000 0.621 261 A CB -1.466 17.518 19.000 -0.026 0.000 0.835 261 A HN 0.489 nan 8.150 nan 0.000 0.445 262 G N -0.571 108.216 108.800 -0.022 0.000 2.491 262 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.218 262 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.218 262 G C 1.806 176.697 174.900 -0.015 0.000 1.180 262 G CA 1.960 47.051 45.100 -0.015 0.000 0.774 262 G HN 0.976 nan 8.290 nan 0.000 0.562 263 A N 0.054 122.860 122.820 -0.024 0.000 1.948 263 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 263 A C 2.377 179.946 177.584 -0.026 0.000 1.177 263 A CA 1.777 53.803 52.037 -0.019 0.000 0.636 263 A CB -0.367 18.620 19.000 -0.022 0.000 0.815 263 A HN 0.328 nan 8.150 nan 0.000 0.449 264 L N -0.970 120.235 121.223 -0.030 0.000 2.095 264 L HA 0.000 4.340 4.340 -0.000 0.000 0.204 264 L C 2.520 179.370 176.870 -0.033 0.000 1.080 264 L CA 1.608 56.427 54.840 -0.034 0.000 0.759 264 L CB -0.797 41.242 42.059 -0.034 0.000 0.914 264 L HN 0.323 nan 8.230 nan 0.000 0.439 265 R N -1.004 119.480 120.500 -0.026 0.000 2.113 265 R HA -0.189 4.151 4.340 -0.000 0.000 0.244 265 R C 2.156 178.439 176.300 -0.029 0.000 1.142 265 R CA 1.798 57.885 56.100 -0.021 0.000 0.953 265 R CB -0.657 29.637 30.300 -0.010 0.000 0.860 265 R HN 0.198 nan 8.270 nan 0.000 0.438 266 V N 0.716 120.609 119.914 -0.034 0.000 2.233 266 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 266 V C 2.442 178.469 176.094 -0.112 0.000 1.050 266 V CA 2.069 64.324 62.300 -0.074 0.000 1.010 266 V CB -0.939 30.834 31.823 -0.084 0.000 0.637 266 V HN 0.475 nan 8.190 nan 0.000 0.444 267 A N -0.176 122.589 122.820 -0.091 0.000 1.851 267 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 267 A C 2.277 179.826 177.584 -0.059 0.000 1.195 267 A CA 2.177 54.167 52.037 -0.079 0.000 0.622 267 A CB -0.604 18.362 19.000 -0.057 0.000 0.831 267 A HN 0.514 nan 8.150 nan 0.000 0.444 268 K N -0.230 120.142 120.400 -0.046 0.000 2.089 268 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 268 K C 2.154 178.734 176.600 -0.032 0.000 1.048 268 K CA 1.274 57.540 56.287 -0.035 0.000 0.926 268 K CB -0.547 31.936 32.500 -0.029 0.000 0.714 268 K HN 0.523 nan 8.250 nan 0.000 0.448 269 A N 2.357 125.155 122.820 -0.037 0.000 2.213 269 A HA -0.112 4.208 4.320 -0.000 0.000 0.192 269 A C 0.375 177.934 177.584 -0.043 0.000 1.296 269 A CA 0.756 52.773 52.037 -0.033 0.000 0.703 269 A CB -0.897 18.084 19.000 -0.031 0.000 0.941 269 A HN 0.349 nan 8.150 nan 0.000 0.517 270 N N 1.500 120.156 118.700 -0.073 0.000 2.440 270 N HA 0.334 5.074 4.740 -0.000 0.000 0.265 270 N C -2.671 172.804 175.510 -0.059 0.000 1.239 270 N CA -0.730 52.277 53.050 -0.071 0.000 0.909 270 N CB -0.021 38.384 38.487 -0.137 0.000 1.066 270 N HN 0.249 nan 8.380 nan 0.000 0.474 271 P HA 0.229 nan 4.420 nan 0.000 0.279 271 P C -0.329 176.971 177.300 0.000 0.000 1.282 271 P CA -0.225 62.867 63.100 -0.014 0.000 0.788 271 P CB 0.443 32.141 31.700 -0.004 0.000 1.139 272 D N -3.436 116.972 120.400 0.012 0.000 3.076 272 D HA -0.164 4.476 4.640 -0.000 0.000 0.218 272 D C -0.471 175.855 176.300 0.044 0.000 1.156 272 D CA 1.408 55.426 54.000 0.031 0.000 0.921 272 D CB -1.664 39.158 40.800 0.037 0.000 1.113 272 D HN 0.482 nan 8.370 nan 0.000 0.418 273 A N 0.345 123.180 122.820 0.026 0.000 2.256 273 A HA 0.588 4.908 4.320 -0.000 0.000 0.317 273 A C 0.082 177.708 177.584 0.071 0.000 1.318 273 A CA -0.478 51.570 52.037 0.019 0.000 0.894 273 A CB 0.932 19.885 19.000 -0.078 0.000 1.165 273 A HN 0.121 nan 8.150 nan 0.000 0.525 274 V N 3.671 123.668 119.914 0.138 0.000 2.353 274 V HA 0.291 4.411 4.120 -0.000 0.000 0.264 274 V C -0.175 176.064 176.094 0.242 0.000 1.049 274 V CA -0.291 62.134 62.300 0.208 0.000 0.896 274 V CB 0.768 32.710 31.823 0.198 0.000 1.025 274 V HN 0.535 nan 8.190 nan 0.000 0.475 275 V N 6.034 126.086 119.914 0.229 0.000 2.357 275 V HA 0.295 4.415 4.120 -0.000 0.000 0.281 275 V C -0.046 176.184 176.094 0.225 0.000 1.015 275 V CA -0.492 61.937 62.300 0.215 0.000 0.827 275 V CB 1.923 33.804 31.823 0.098 0.000 1.018 275 V HN 0.613 nan 8.190 nan 0.000 0.432 276 V N 4.855 124.933 119.914 0.273 0.000 2.408 276 V HA 0.652 4.772 4.120 -0.000 0.000 0.267 276 V C 0.665 176.826 176.094 0.112 0.000 1.047 276 V CA -0.099 62.363 62.300 0.271 0.000 0.937 276 V CB 1.371 33.413 31.823 0.366 0.000 0.999 276 V HN 0.902 nan 8.190 nan 0.000 0.472 277 A N 6.887 129.742 122.820 0.059 0.000 2.304 277 A HA 0.739 5.059 4.320 -0.000 0.000 0.323 277 A C -0.442 177.122 177.584 -0.033 0.000 1.195 277 A CA -0.642 51.356 52.037 -0.065 0.000 0.826 277 A CB 0.664 19.643 19.000 -0.034 0.000 1.184 277 A HN 0.615 nan 8.150 nan 0.000 0.496 278 I N 3.253 123.754 120.570 -0.115 0.000 2.396 278 I HA 0.158 4.327 4.170 -0.000 0.000 0.289 278 I C -0.066 176.059 176.117 0.013 0.000 1.056 278 I CA -0.137 61.163 61.300 -0.000 0.000 1.365 278 I CB 0.697 38.705 38.000 0.013 0.000 1.407 278 I HN 0.634 nan 8.210 nan 0.000 0.509 279 I N 7.018 127.616 120.570 0.047 0.000 2.354 279 I HA 0.325 4.495 4.170 -0.000 0.000 0.292 279 I C 0.462 176.612 176.117 0.054 0.000 0.989 279 I CA 0.051 61.372 61.300 0.034 0.000 1.188 279 I CB 1.347 39.365 38.000 0.029 0.000 1.342 279 I HN 0.609 nan 8.210 nan 0.000 0.457 280 C N 4.173 123.502 119.300 0.049 0.000 2.541 280 C HA 0.256 4.715 4.460 -0.000 0.000 0.284 280 C C 1.002 176.041 174.990 0.082 0.000 1.341 280 C CA 0.653 59.716 59.018 0.076 0.000 1.732 280 C CB -1.042 26.748 27.740 0.082 0.000 2.126 280 C HN 0.940 nan 8.230 nan 0.000 0.505 281 D N -0.598 119.854 120.400 0.086 0.000 3.124 281 D HA 0.356 4.996 4.640 -0.000 0.000 0.238 281 D C -0.130 176.205 176.300 0.058 0.000 1.319 281 D CA -0.481 53.579 54.000 0.099 0.000 1.057 281 D CB 0.340 41.233 40.800 0.155 0.000 1.244 281 D HN 0.117 nan 8.370 nan 0.000 0.634 282 R N -1.937 118.607 120.500 0.072 0.000 3.151 282 R HA 0.684 5.024 4.340 -0.000 0.000 0.231 282 R C 1.013 177.174 176.300 -0.231 0.000 1.511 282 R CA -0.468 55.584 56.100 -0.080 0.000 1.047 282 R CB 1.096 31.404 30.300 0.014 0.000 1.565 282 R HN 0.488 nan 8.270 nan 0.000 0.513 283 G N -0.615 107.635 108.800 -0.916 0.000 3.042 283 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.212 283 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.212 283 G C -0.103 174.680 174.900 -0.195 0.000 1.166 283 G CA 0.118 44.536 45.100 -1.135 0.000 0.767 283 G HN 0.469 nan 8.290 nan 0.000 0.546 284 D N 0.642 121.092 120.400 0.083 0.000 2.183 284 D HA 0.023 4.663 4.640 -0.000 0.000 0.205 284 D C 2.150 178.527 176.300 0.128 0.000 0.962 284 D CA 0.383 54.508 54.000 0.208 0.000 0.849 284 D CB 0.002 40.927 40.800 0.208 0.000 0.978 284 D HN 0.142 nan 8.370 nan 0.000 0.488 285 R N -0.035 120.486 120.500 0.035 0.000 2.346 285 R HA 0.092 4.432 4.340 -0.000 0.000 0.225 285 R C 0.309 176.385 176.300 -0.373 0.000 0.987 285 R CA 0.226 56.221 56.100 -0.174 0.000 1.106 285 R CB -0.053 30.085 30.300 -0.270 0.000 1.090 285 R HN 0.382 nan 8.270 nan 0.000 0.502 286 Y N -1.525 118.811 120.300 0.060 0.000 2.471 286 Y HA 0.155 4.705 4.550 -0.000 0.000 0.249 286 Y C 1.704 177.692 175.900 0.147 0.000 1.116 286 Y CA -0.381 57.779 58.100 0.100 0.000 1.240 286 Y CB 0.246 38.785 38.460 0.132 0.000 1.251 286 Y HN -0.082 nan 8.280 nan 0.000 0.527 287 L N 0.155 121.537 121.223 0.265 0.000 2.012 287 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 287 L C 2.118 179.094 176.870 0.177 0.000 1.073 287 L CA 1.984 56.964 54.840 0.233 0.000 0.748 287 L CB -0.523 41.631 42.059 0.159 0.000 0.891 287 L HN 0.241 nan 8.230 nan 0.000 0.431 288 S N -2.201 113.570 115.700 0.118 0.000 2.786 288 S HA 0.008 4.478 4.470 -0.000 0.000 0.223 288 S C 1.075 175.723 174.600 0.080 0.000 0.956 288 S CA 0.507 58.757 58.200 0.082 0.000 0.961 288 S CB -0.511 62.720 63.200 0.051 0.000 0.784 288 S HN 0.428 nan 8.310 nan 0.000 0.519 289 T N -1.305 113.314 114.554 0.109 0.000 3.044 289 T HA 0.556 4.906 4.350 -0.000 0.000 0.260 289 T C 1.456 176.207 174.700 0.085 0.000 1.019 289 T CA 0.060 62.214 62.100 0.090 0.000 0.921 289 T CB 0.396 69.325 68.868 0.102 0.000 1.053 289 T HN 0.772 nan 8.240 nan 0.000 0.533 290 G N 1.050 109.911 108.800 0.102 0.000 2.176 290 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.253 290 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.253 290 G C 0.991 175.939 174.900 0.080 0.000 0.979 290 G CA 0.327 45.477 45.100 0.084 0.000 0.641 290 G HN 0.449 nan 8.290 nan 0.000 0.530 291 V N -0.675 119.297 119.914 0.096 0.000 2.515 291 V HA 0.242 4.361 4.120 -0.000 0.000 0.250 291 V C 1.924 177.987 176.094 -0.051 0.000 1.058 291 V CA 2.424 64.728 62.300 0.008 0.000 1.064 291 V CB -0.279 31.537 31.823 -0.012 0.000 0.675 291 V HN 0.392 nan 8.190 nan 0.000 0.461 292 F N -0.556 119.435 119.950 0.068 0.000 2.664 292 F HA 0.494 5.021 4.527 -0.000 0.000 0.303 292 F C 1.462 177.303 175.800 0.069 0.000 1.092 292 F CA 0.637 58.687 58.000 0.083 0.000 1.305 292 F CB 1.160 40.248 39.000 0.146 0.000 1.054 292 F HN 0.245 nan 8.300 nan 0.000 0.565 293 G N -1.025 107.889 108.800 0.191 0.000 4.137 293 G HA2 0.193 4.153 3.960 -0.000 0.000 0.194 293 G HA3 0.193 4.153 3.960 -0.000 0.000 0.194 293 G C -0.270 174.677 174.900 0.078 0.000 0.891 293 G CA -0.052 45.118 45.100 0.118 0.000 0.946 293 G HN 0.155 nan 8.290 nan 0.000 0.332 294 E N 0.000 120.251 120.200 0.085 0.000 2.725 294 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 294 E CA 0.000 56.436 56.400 0.060 0.000 0.976 294 E CB 0.000 29.726 29.700 0.043 0.000 0.812 294 E HN 0.000 nan 8.360 nan 0.000 0.440