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 1ew9_1_A DATA FIRST_RESID 1 DATA SEQUENCE TPEMPVLENR AAQGDITAPG GARRLTGDQT AALRDSLSDK PAKNIILLIG DATA SEQUENCE DGMGDSEITA ARNYAEGAGG FFKGIDALPL TGQYTHYALN KKTGKPDYVT DATA SEQUENCE DSAASATAWS TGVKTYNGAL GVDIHEKDHP TILEMAKAAG LATGNVSTAE DATA SEQUENCE LQDATPAALV AHVTSRKcYG PSATSEKcPG NALEKGGKGS ITEQLLNARA DATA SEQUENCE DVTLGGGAKT FAETATAGEW QGKTLREQAQ ARGYQLVSDA ASLNSVTEAN DATA SEQUENCE QQKPLLGLFA DGNMPVRWLG PKATYHGNID KPAVTcTPNP QRNDSVPTLA DATA SEQUENCE QMTDKAIELL SKNEKGFFLQ VEGASIDKQD HAANPcGQIG ETVDLDEAVQ DATA SEQUENCE RALEFAKKEG NTLVIVTADH AHASQIVAPD TKAPGLTQAL NTKDGAVMVM DATA SEQUENCE SYGNSEEDSQ EHTGSQLRIA AYGPHAANVV GLTDQTDLFY TMKAALGLK 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.704 174.700 0.007 0.000 1.109 1 T CA 0.000 62.097 62.100 -0.006 0.000 1.349 1 T CB 0.000 68.864 68.868 -0.007 0.000 0.612 2 P HA 0.157 nan 4.420 nan 0.000 0.235 2 P C 0.970 178.302 177.300 0.053 0.000 1.765 2 P CA -0.022 63.108 63.100 0.050 0.000 1.034 2 P CB 0.371 32.097 31.700 0.042 0.000 1.984 3 E N 2.145 122.367 120.200 0.037 0.000 2.095 3 E HA -0.209 4.140 4.350 -0.000 0.000 0.212 3 E C 0.065 176.679 176.600 0.024 0.000 1.044 3 E CA 1.283 57.692 56.400 0.015 0.000 0.857 3 E CB -0.043 29.653 29.700 -0.006 0.000 0.764 3 E HN 0.364 nan 8.360 nan 0.000 0.462 4 M N 1.362 120.993 119.600 0.052 0.000 2.336 4 M HA 0.360 4.839 4.480 -0.000 0.000 0.342 4 M C -2.344 174.094 176.300 0.229 0.000 1.128 4 M CA -2.260 53.080 55.300 0.067 0.000 1.016 4 M CB 2.049 34.595 32.600 -0.090 0.000 1.665 4 M HN -0.027 nan 8.290 nan 0.000 0.445 5 P HA 0.263 nan 4.420 nan 0.000 0.282 5 P C -0.981 176.450 177.300 0.218 0.000 1.249 5 P CA -0.494 62.703 63.100 0.162 0.000 0.806 5 P CB 1.029 32.780 31.700 0.085 0.000 0.984 6 V N 1.467 121.418 119.914 0.062 0.000 2.850 6 V HA 0.445 4.565 4.120 -0.000 0.000 0.315 6 V C -0.077 176.040 176.094 0.038 0.000 1.064 6 V CA -1.149 61.135 62.300 -0.027 0.000 0.979 6 V CB 1.015 32.696 31.823 -0.237 0.000 1.039 6 V HN 0.277 nan 8.190 nan 0.000 0.452 7 L N 3.098 124.370 121.223 0.082 0.000 2.485 7 L HA 0.307 4.647 4.340 -0.000 0.000 0.279 7 L C 1.313 178.259 176.870 0.126 0.000 1.124 7 L CA 0.066 54.966 54.840 0.099 0.000 0.888 7 L CB 0.056 42.209 42.059 0.155 0.000 1.217 7 L HN 0.836 nan 8.230 nan 0.000 0.464 8 E N 1.822 122.036 120.200 0.024 0.000 2.150 8 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 8 E C 0.589 177.162 176.600 -0.044 0.000 0.985 8 E CA 0.663 57.079 56.400 0.027 0.000 0.814 8 E CB 0.105 29.803 29.700 -0.003 0.000 0.752 8 E HN 0.591 nan 8.360 nan 0.000 0.466 9 N N -0.337 118.177 118.700 -0.311 0.000 2.839 9 N HA 0.050 4.789 4.740 -0.000 0.000 0.258 9 N C -1.232 173.801 175.510 -0.795 0.000 1.150 9 N CA -0.211 52.446 53.050 -0.656 0.000 0.957 9 N CB 0.860 39.183 38.487 -0.273 0.000 1.560 9 N HN -0.077 nan 8.380 nan 0.000 0.588 10 R N 1.564 121.181 120.500 -1.473 0.000 2.767 10 R HA 0.329 4.669 4.340 -0.000 0.000 0.377 10 R C 0.179 176.216 176.300 -0.439 0.000 1.151 10 R CA -0.319 55.340 56.100 -0.735 0.000 1.046 10 R CB 0.892 30.941 30.300 -0.419 0.000 1.404 10 R HN 0.473 nan 8.270 nan 0.000 0.580 11 A N 0.869 123.472 122.820 -0.362 0.000 2.259 11 A HA 0.663 4.982 4.320 -0.000 0.000 0.278 11 A C 0.324 177.857 177.584 -0.085 0.000 1.107 11 A CA -0.365 51.617 52.037 -0.092 0.000 0.828 11 A CB 0.363 19.340 19.000 -0.038 0.000 1.111 11 A HN 0.391 nan 8.150 nan 0.000 0.498 12 A N -0.202 122.592 122.820 -0.043 0.000 2.565 12 A HA 0.269 4.589 4.320 -0.000 0.000 0.237 12 A C 0.886 178.440 177.584 -0.049 0.000 1.053 12 A CA -0.006 52.007 52.037 -0.041 0.000 0.755 12 A CB 0.057 19.041 19.000 -0.028 0.000 0.980 12 A HN 0.748 nan 8.150 nan 0.000 0.506 13 Q N 1.286 121.056 119.800 -0.049 0.000 2.378 13 Q HA 0.104 4.444 4.340 -0.000 0.000 0.205 13 Q C 1.042 177.020 176.000 -0.037 0.000 0.954 13 Q CA 1.195 56.968 55.803 -0.049 0.000 0.901 13 Q CB 0.300 29.007 28.738 -0.052 0.000 0.981 13 Q HN 0.949 nan 8.270 nan 0.000 0.483 14 G N -0.214 108.568 108.800 -0.030 0.000 3.000 14 G HA2 0.055 4.015 3.960 -0.000 0.000 0.170 14 G HA3 0.055 4.015 3.960 -0.000 0.000 0.170 14 G C -1.481 173.406 174.900 -0.022 0.000 1.160 14 G CA -0.459 44.626 45.100 -0.025 0.000 0.945 14 G HN 0.025 nan 8.290 nan 0.000 0.593 15 D N 1.366 121.755 120.400 -0.019 0.000 2.339 15 D HA 0.134 4.774 4.640 -0.000 0.000 0.256 15 D C 1.958 178.248 176.300 -0.017 0.000 1.214 15 D CA -0.494 53.496 54.000 -0.017 0.000 0.877 15 D CB 0.865 41.656 40.800 -0.015 0.000 1.111 15 D HN 0.417 nan 8.370 nan 0.000 0.478 16 I N 1.483 122.043 120.570 -0.017 0.000 2.850 16 I HA -0.141 4.029 4.170 -0.000 0.000 0.266 16 I C 1.416 177.525 176.117 -0.013 0.000 1.257 16 I CA 1.165 62.456 61.300 -0.016 0.000 1.465 16 I CB -0.454 37.536 38.000 -0.016 0.000 1.091 16 I HN 0.296 nan 8.210 nan 0.000 0.467 17 T N -1.671 112.875 114.554 -0.013 0.000 3.060 17 T HA 0.554 4.904 4.350 -0.000 0.000 0.249 17 T C 0.768 175.462 174.700 -0.010 0.000 1.079 17 T CA 0.120 62.214 62.100 -0.011 0.000 1.013 17 T CB -0.072 68.789 68.868 -0.011 0.000 0.975 17 T HN 0.403 nan 8.240 nan 0.000 0.518 18 A N 2.140 124.953 122.820 -0.011 0.000 2.281 18 A HA 0.746 5.066 4.320 -0.000 0.000 0.329 18 A C -2.692 174.885 177.584 -0.011 0.000 1.122 18 A CA -2.176 49.855 52.037 -0.011 0.000 0.850 18 A CB 0.241 19.235 19.000 -0.011 0.000 1.207 18 A HN 0.204 nan 8.150 nan 0.000 0.495 19 P HA 0.260 nan 4.420 nan 0.000 0.262 19 P C 0.926 178.219 177.300 -0.011 0.000 1.199 19 P CA 1.849 64.943 63.100 -0.010 0.000 0.763 19 P CB 0.423 32.118 31.700 -0.008 0.000 0.790 20 G N 3.101 111.894 108.800 -0.012 0.000 2.184 20 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.264 20 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.264 20 G C 1.163 176.052 174.900 -0.017 0.000 0.975 20 G CA 0.261 45.353 45.100 -0.014 0.000 0.642 20 G HN 0.755 nan 8.290 nan 0.000 0.536 21 G N -0.080 108.710 108.800 -0.017 0.000 2.744 21 G HA2 0.401 4.361 3.960 -0.000 0.000 0.211 21 G HA3 0.401 4.361 3.960 -0.000 0.000 0.211 21 G C 1.441 176.328 174.900 -0.021 0.000 1.143 21 G CA 1.658 46.747 45.100 -0.019 0.000 0.788 21 G HN 1.519 nan 8.290 nan 0.000 0.534 22 A N 0.064 122.873 122.820 -0.018 0.000 2.308 22 A HA 0.400 4.720 4.320 -0.000 0.000 0.217 22 A C 1.252 178.824 177.584 -0.020 0.000 1.216 22 A CA -0.489 51.538 52.037 -0.018 0.000 0.864 22 A CB 0.053 19.045 19.000 -0.013 0.000 0.902 22 A HN 0.280 nan 8.150 nan 0.000 0.499 23 R N 0.264 120.750 120.500 -0.023 0.000 2.570 23 R HA 0.161 4.501 4.340 -0.000 0.000 0.277 23 R C 0.621 176.898 176.300 -0.040 0.000 1.039 23 R CA 0.141 56.225 56.100 -0.027 0.000 1.065 23 R CB 0.386 30.670 30.300 -0.026 0.000 0.964 23 R HN 0.384 nan 8.270 nan 0.000 0.428 24 R N 2.092 122.567 120.500 -0.042 0.000 2.265 24 R HA 0.183 4.523 4.340 -0.000 0.000 0.194 24 R C 0.230 176.479 176.300 -0.084 0.000 0.931 24 R CA 0.301 56.360 56.100 -0.068 0.000 1.032 24 R CB 0.307 30.576 30.300 -0.052 0.000 0.980 24 R HN 0.381 nan 8.270 nan 0.000 0.497 25 L N 0.342 121.531 121.223 -0.057 0.000 2.334 25 L HA 0.306 4.646 4.340 -0.000 0.000 0.272 25 L C 1.082 177.923 176.870 -0.047 0.000 1.020 25 L CA -0.348 54.460 54.840 -0.052 0.000 0.812 25 L CB 1.920 43.960 42.059 -0.032 0.000 1.264 25 L HN 0.040 nan 8.230 nan 0.000 0.439 26 T N -2.925 111.602 114.554 -0.045 0.000 3.040 26 T HA 0.491 4.841 4.350 -0.000 0.000 0.266 26 T C 0.368 175.051 174.700 -0.028 0.000 1.005 26 T CA 0.128 62.205 62.100 -0.038 0.000 0.906 26 T CB 0.639 69.481 68.868 -0.043 0.000 1.082 26 T HN 0.826 nan 8.240 nan 0.000 0.531 27 G N 0.425 109.210 108.800 -0.025 0.000 2.342 27 G HA2 0.399 4.359 3.960 -0.000 0.000 0.297 27 G HA3 0.399 4.359 3.960 -0.000 0.000 0.297 27 G C -2.142 172.749 174.900 -0.015 0.000 1.313 27 G CA -0.827 44.262 45.100 -0.018 0.000 0.830 27 G HN 0.197 nan 8.290 nan 0.000 0.506 28 D N -0.520 119.874 120.400 -0.011 0.000 2.414 28 D HA 0.345 4.984 4.640 -0.000 0.000 0.242 28 D C 1.163 177.459 176.300 -0.007 0.000 1.129 28 D CA 0.091 54.087 54.000 -0.008 0.000 0.885 28 D CB 0.897 41.694 40.800 -0.006 0.000 1.198 28 D HN 0.200 nan 8.370 nan 0.000 0.437 29 Q N 1.897 121.695 119.800 -0.004 0.000 2.319 29 Q HA 0.013 4.353 4.340 -0.000 0.000 0.202 29 Q C 1.587 177.588 176.000 0.002 0.000 0.896 29 Q CA 0.213 56.016 55.803 -0.001 0.000 0.942 29 Q CB 0.352 29.091 28.738 0.002 0.000 1.083 29 Q HN 0.583 nan 8.270 nan 0.000 0.510 30 T N 1.525 116.079 114.554 0.000 0.000 2.607 30 T HA -0.223 4.126 4.350 -0.000 0.000 0.267 30 T C 1.895 176.595 174.700 -0.000 0.000 1.049 30 T CA 1.949 64.050 62.100 0.000 0.000 1.162 30 T CB -0.196 68.671 68.868 -0.001 0.000 0.863 30 T HN 0.432 nan 8.240 nan 0.000 0.424 31 A N 1.404 124.223 122.820 -0.001 0.000 1.902 31 A HA 0.148 4.467 4.320 -0.000 0.000 0.217 31 A C 2.660 180.244 177.584 0.001 0.000 1.181 31 A CA 1.942 53.979 52.037 -0.001 0.000 0.623 31 A CB -1.133 17.866 19.000 -0.002 0.000 0.818 31 A HN 0.542 nan 8.150 nan 0.000 0.443 32 A N -0.951 121.872 122.820 0.004 0.000 1.930 32 A HA 0.034 4.354 4.320 -0.000 0.000 0.217 32 A C 2.060 179.653 177.584 0.014 0.000 1.175 32 A CA 1.573 53.616 52.037 0.011 0.000 0.627 32 A CB -0.473 18.535 19.000 0.013 0.000 0.815 32 A HN 0.411 nan 8.150 nan 0.000 0.443 33 L N -0.561 120.669 121.223 0.011 0.000 2.093 33 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 33 L C 2.605 179.475 176.870 -0.001 0.000 1.085 33 L CA 1.475 56.321 54.840 0.010 0.000 0.755 33 L CB -0.423 41.642 42.059 0.009 0.000 0.904 33 L HN 0.310 nan 8.230 nan 0.000 0.435 34 R N -0.382 120.116 120.500 -0.004 0.000 2.091 34 R HA -0.170 4.170 4.340 -0.000 0.000 0.238 34 R C 1.487 177.777 176.300 -0.016 0.000 1.136 34 R CA 1.545 57.639 56.100 -0.011 0.000 0.959 34 R CB -0.456 29.839 30.300 -0.009 0.000 0.856 34 R HN 0.358 nan 8.270 nan 0.000 0.437 35 D N -0.300 120.095 120.400 -0.008 0.000 2.392 35 D HA -0.046 4.594 4.640 -0.000 0.000 0.228 35 D C 0.912 177.203 176.300 -0.016 0.000 1.003 35 D CA 0.896 54.891 54.000 -0.010 0.000 0.917 35 D CB 0.158 40.960 40.800 0.002 0.000 0.890 35 D HN 0.073 nan 8.370 nan 0.000 0.532 36 S N -0.442 115.248 115.700 -0.016 0.000 2.540 36 S HA 0.181 4.651 4.470 -0.000 0.000 0.218 36 S C 0.821 175.378 174.600 -0.072 0.000 0.977 36 S CA -0.278 57.902 58.200 -0.032 0.000 0.918 36 S CB 0.704 63.908 63.200 0.007 0.000 0.806 36 S HN 0.177 nan 8.310 nan 0.000 0.496 37 L N 2.188 123.373 121.223 -0.063 0.000 2.255 37 L HA 0.517 4.857 4.340 -0.000 0.000 0.289 37 L C 0.033 176.844 176.870 -0.099 0.000 1.046 37 L CA -0.267 54.525 54.840 -0.080 0.000 0.816 37 L CB 1.163 43.187 42.059 -0.058 0.000 1.197 37 L HN 0.024 nan 8.230 nan 0.000 0.427 38 S N 1.154 116.771 115.700 -0.139 0.000 2.571 38 S HA 0.365 4.834 4.470 -0.000 0.000 0.284 38 S C -0.218 174.230 174.600 -0.254 0.000 1.128 38 S CA -0.788 57.317 58.200 -0.158 0.000 0.970 38 S CB 1.409 64.521 63.200 -0.146 0.000 1.039 38 S HN 0.699 nan 8.310 nan 0.000 0.485 39 D N 2.293 122.546 120.400 -0.244 0.000 2.402 39 D HA 0.261 4.901 4.640 -0.000 0.000 0.216 39 D C 0.246 176.408 176.300 -0.230 0.000 1.128 39 D CA -0.331 53.444 54.000 -0.375 0.000 0.833 39 D CB 0.062 40.727 40.800 -0.225 0.000 0.971 39 D HN 0.129 nan 8.370 nan 0.000 0.503 40 K N 1.455 121.775 120.400 -0.133 0.000 2.286 40 K HA 0.279 4.599 4.320 -0.000 0.000 0.256 40 K C -2.325 174.331 176.600 0.095 0.000 0.999 40 K CA -1.718 54.556 56.287 -0.022 0.000 0.908 40 K CB -0.143 32.339 32.500 -0.031 0.000 0.981 40 K HN 0.038 nan 8.250 nan 0.000 0.500 41 P HA 0.150 nan 4.420 nan 0.000 0.274 41 P C -1.401 175.944 177.300 0.075 0.000 1.231 41 P CA -0.256 62.914 63.100 0.117 0.000 0.790 41 P CB 1.012 32.739 31.700 0.044 0.000 0.951 42 A N 2.195 125.044 122.820 0.050 0.000 2.306 42 A HA 0.330 4.650 4.320 -0.000 0.000 0.314 42 A C 1.125 178.687 177.584 -0.036 0.000 1.164 42 A CA -0.374 51.665 52.037 0.004 0.000 0.822 42 A CB 0.546 19.540 19.000 -0.009 0.000 1.130 42 A HN 0.556 nan 8.150 nan 0.000 0.496 43 K N 0.856 121.226 120.400 -0.051 0.000 2.128 43 K HA 0.044 4.364 4.320 -0.000 0.000 0.202 43 K C -0.044 176.469 176.600 -0.146 0.000 1.050 43 K CA 0.774 57.022 56.287 -0.064 0.000 0.966 43 K CB 0.038 32.515 32.500 -0.038 0.000 0.759 43 K HN 0.829 nan 8.250 nan 0.000 0.454 44 N N 0.036 118.599 118.700 -0.229 0.000 2.321 44 N HA 0.357 5.097 4.740 -0.000 0.000 0.290 44 N C -1.119 174.220 175.510 -0.286 0.000 1.212 44 N CA -0.522 52.236 53.050 -0.487 0.000 0.767 44 N CB 2.176 40.025 38.487 -1.063 0.000 1.494 44 N HN -0.049 nan 8.380 nan 0.000 0.479 45 I N 1.286 121.688 120.570 -0.281 0.000 2.533 45 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 45 I C -0.813 175.210 176.117 -0.157 0.000 1.056 45 I CA -0.620 60.615 61.300 -0.108 0.000 1.057 45 I CB 2.111 40.157 38.000 0.077 0.000 1.240 45 I HN 0.294 nan 8.210 nan 0.000 0.423 46 I N 6.792 127.307 120.570 -0.092 0.000 2.411 46 I HA 0.277 4.446 4.170 -0.000 0.000 0.284 46 I C -0.953 175.092 176.117 -0.119 0.000 1.012 46 I CA -0.610 60.627 61.300 -0.106 0.000 1.119 46 I CB 1.824 39.821 38.000 -0.005 0.000 1.261 46 I HN 0.281 nan 8.210 nan 0.000 0.448 47 L N 8.505 129.611 121.223 -0.196 0.000 2.262 47 L HA 0.549 4.888 4.340 -0.000 0.000 0.288 47 L C -1.117 175.654 176.870 -0.165 0.000 1.035 47 L CA -0.238 54.509 54.840 -0.156 0.000 0.820 47 L CB 0.822 42.822 42.059 -0.098 0.000 1.204 47 L HN 0.417 nan 8.230 nan 0.000 0.424 48 L N 6.673 127.797 121.223 -0.164 0.000 2.287 48 L HA 0.518 4.858 4.340 -0.000 0.000 0.287 48 L C -0.479 176.273 176.870 -0.197 0.000 1.022 48 L CA -0.086 54.660 54.840 -0.158 0.000 0.814 48 L CB 1.385 43.361 42.059 -0.137 0.000 1.217 48 L HN 0.409 nan 8.230 nan 0.000 0.420 49 I N 2.740 123.205 120.570 -0.174 0.000 2.389 49 I HA 0.381 4.551 4.170 -0.000 0.000 0.288 49 I C 0.658 176.694 176.117 -0.135 0.000 0.999 49 I CA -0.342 60.844 61.300 -0.190 0.000 1.129 49 I CB 1.574 39.472 38.000 -0.170 0.000 1.288 49 I HN 0.631 nan 8.210 nan 0.000 0.444 50 G N 5.086 113.791 108.800 -0.158 0.000 2.404 50 G HA2 0.131 4.090 3.960 -0.000 0.000 0.316 50 G HA3 0.131 4.090 3.960 -0.000 0.000 0.316 50 G C -0.172 174.646 174.900 -0.137 0.000 1.074 50 G CA -0.324 44.691 45.100 -0.141 0.000 0.989 50 G HN 0.605 nan 8.290 nan 0.000 0.430 51 D N 2.141 122.485 120.400 -0.094 0.000 2.417 51 D HA 0.295 4.935 4.640 -0.000 0.000 0.250 51 D C 1.457 177.659 176.300 -0.163 0.000 1.166 51 D CA 1.363 55.294 54.000 -0.115 0.000 0.881 51 D CB 0.928 41.732 40.800 0.005 0.000 1.164 51 D HN 0.753 nan 8.370 nan 0.000 0.467 52 G N 4.109 112.671 108.800 -0.396 0.000 2.155 52 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 52 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 52 G C 0.675 175.519 174.900 -0.093 0.000 0.983 52 G CA 0.468 45.432 45.100 -0.227 0.000 0.676 52 G HN 0.580 nan 8.290 nan 0.000 0.528 53 M N 2.061 121.579 119.600 -0.136 0.000 3.422 53 M HA 0.482 4.962 4.480 -0.000 0.000 0.248 53 M C 1.064 177.324 176.300 -0.066 0.000 1.433 53 M CA 0.397 55.640 55.300 -0.094 0.000 1.592 53 M CB -0.613 31.915 32.600 -0.121 0.000 1.078 53 M HN 0.257 nan 8.290 nan 0.000 0.578 54 G N 1.603 110.393 108.800 -0.017 0.000 2.621 54 G HA2 0.093 4.053 3.960 -0.000 0.000 0.271 54 G HA3 0.093 4.053 3.960 -0.000 0.000 0.271 54 G C -0.062 174.853 174.900 0.025 0.000 1.236 54 G CA -0.425 44.689 45.100 0.023 0.000 0.958 54 G HN 0.706 nan 8.290 nan 0.000 0.512 55 D N -0.892 119.534 120.400 0.044 0.000 2.158 55 D HA -0.146 4.493 4.640 -0.000 0.000 0.197 55 D C 2.507 178.833 176.300 0.043 0.000 0.995 55 D CA 1.688 55.714 54.000 0.043 0.000 0.846 55 D CB 0.161 40.991 40.800 0.050 0.000 0.941 55 D HN 0.266 nan 8.370 nan 0.000 0.456 56 S N -0.132 115.592 115.700 0.041 0.000 2.356 56 S HA -0.196 4.273 4.470 -0.000 0.000 0.223 56 S C 1.780 176.395 174.600 0.025 0.000 1.032 56 S CA 1.147 59.364 58.200 0.029 0.000 1.005 56 S CB -0.109 63.103 63.200 0.020 0.000 0.867 56 S HN 0.080 nan 8.310 nan 0.000 0.449 57 E N 0.996 121.207 120.200 0.018 0.000 2.110 57 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 57 E C 1.885 178.506 176.600 0.035 0.000 0.988 57 E CA 1.113 57.518 56.400 0.009 0.000 0.804 57 E CB -0.257 29.433 29.700 -0.016 0.000 0.745 57 E HN 0.589 nan 8.360 nan 0.000 0.458 58 I N 0.291 120.887 120.570 0.043 0.000 2.286 58 I HA -0.240 3.929 4.170 -0.000 0.000 0.245 58 I C 1.977 178.198 176.117 0.174 0.000 1.104 58 I CA 1.251 62.609 61.300 0.098 0.000 1.397 58 I CB -0.402 37.637 38.000 0.066 0.000 1.072 58 I HN 0.127 nan 8.210 nan 0.000 0.417 59 T N 1.033 115.650 114.554 0.107 0.000 2.652 59 T HA -0.202 4.147 4.350 -0.000 0.000 0.267 59 T C 2.110 176.867 174.700 0.095 0.000 1.039 59 T CA 1.526 63.679 62.100 0.089 0.000 1.153 59 T CB -0.485 68.418 68.868 0.057 0.000 0.863 59 T HN 0.462 nan 8.240 nan 0.000 0.428 60 A N 1.722 124.593 122.820 0.086 0.000 1.892 60 A HA 0.020 4.340 4.320 -0.000 0.000 0.218 60 A C 2.682 180.360 177.584 0.157 0.000 1.188 60 A CA 2.191 54.285 52.037 0.094 0.000 0.631 60 A CB -1.273 17.759 19.000 0.053 0.000 0.822 60 A HN 0.548 nan 8.150 nan 0.000 0.447 61 A N -0.867 122.066 122.820 0.189 0.000 1.930 61 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 61 A C 2.262 180.038 177.584 0.320 0.000 1.175 61 A CA 1.638 53.852 52.037 0.295 0.000 0.627 61 A CB -0.473 18.701 19.000 0.291 0.000 0.815 61 A HN 0.563 nan 8.150 nan 0.000 0.443 62 R N -0.207 120.411 120.500 0.196 0.000 2.066 62 R HA -0.148 4.192 4.340 -0.000 0.000 0.232 62 R C 1.760 177.988 176.300 -0.121 0.000 1.131 62 R CA 1.645 57.593 56.100 -0.253 0.000 0.955 62 R CB -0.342 29.827 30.300 -0.219 0.000 0.851 62 R HN 0.504 nan 8.270 nan 0.000 0.432 63 N N 0.114 118.820 118.700 0.009 0.000 2.094 63 N HA -0.236 4.504 4.740 -0.000 0.000 0.191 63 N C 1.500 177.040 175.510 0.050 0.000 1.023 63 N CA 1.463 54.526 53.050 0.021 0.000 0.857 63 N CB -0.638 37.881 38.487 0.053 0.000 1.013 63 N HN 0.339 nan 8.380 nan 0.000 0.426 64 Y N 0.989 121.312 120.300 0.038 0.000 2.109 64 Y HA -0.074 4.476 4.550 -0.000 0.000 0.285 64 Y C 2.301 178.251 175.900 0.084 0.000 1.131 64 Y CA 2.075 60.222 58.100 0.079 0.000 1.121 64 Y CB -0.389 38.164 38.460 0.155 0.000 0.987 64 Y HN 0.071 nan 8.280 nan 0.000 0.495 65 A N -0.364 122.615 122.820 0.264 0.000 1.898 65 A HA -0.027 4.292 4.320 -0.000 0.000 0.214 65 A C 1.809 179.390 177.584 -0.006 0.000 1.183 65 A CA 1.575 53.743 52.037 0.218 0.000 0.622 65 A CB -0.243 19.012 19.000 0.425 0.000 0.824 65 A HN 0.531 nan 8.150 nan 0.000 0.444 66 E N -1.066 119.049 120.200 -0.141 0.000 2.511 66 E HA 0.336 4.686 4.350 -0.000 0.000 0.209 66 E C 0.682 177.208 176.600 -0.124 0.000 0.986 66 E CA 0.583 56.884 56.400 -0.165 0.000 0.974 66 E CB 0.463 29.969 29.700 -0.323 0.000 1.030 66 E HN 0.709 nan 8.360 nan 0.000 0.490 67 G N 1.168 109.900 108.800 -0.114 0.000 2.705 67 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 67 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 67 G C 0.791 175.649 174.900 -0.070 0.000 1.285 67 G CA -0.209 44.841 45.100 -0.083 0.000 0.800 67 G HN 0.189 nan 8.290 nan 0.000 0.611 68 A N 0.382 123.176 122.820 -0.044 0.000 1.948 68 A HA 0.202 4.522 4.320 -0.000 0.000 0.220 68 A C 2.640 180.208 177.584 -0.026 0.000 1.177 68 A CA 2.726 54.747 52.037 -0.028 0.000 0.636 68 A CB -0.573 18.419 19.000 -0.014 0.000 0.815 68 A HN 2.420 nan 8.150 nan 0.000 0.449 69 G N -1.084 107.699 108.800 -0.027 0.000 3.141 69 G HA2 0.419 4.379 3.960 -0.000 0.000 0.218 69 G HA3 0.419 4.379 3.960 -0.000 0.000 0.218 69 G C 0.713 175.606 174.900 -0.012 0.000 1.170 69 G CA 0.600 45.690 45.100 -0.017 0.000 0.769 69 G HN 0.742 nan 8.290 nan 0.000 0.546 70 G N -0.378 108.404 108.800 -0.031 0.000 2.553 70 G HA2 0.476 4.436 3.960 -0.000 0.000 0.278 70 G HA3 0.476 4.436 3.960 -0.000 0.000 0.278 70 G C -1.058 173.875 174.900 0.054 0.000 1.349 70 G CA -0.702 44.385 45.100 -0.021 0.000 1.037 70 G HN 0.342 nan 8.290 nan 0.000 0.508 71 F N -1.438 118.413 119.950 -0.165 0.000 2.622 71 F HA 0.531 5.057 4.527 -0.000 0.000 0.318 71 F C -1.742 174.005 175.800 -0.088 0.000 1.135 71 F CA -1.279 56.656 58.000 -0.109 0.000 1.015 71 F CB 1.433 40.409 39.000 -0.040 0.000 1.275 71 F HN 0.280 nan 8.300 nan 0.000 0.457 72 F N 6.116 125.751 119.950 -0.526 0.000 2.413 72 F HA 0.358 4.885 4.527 -0.000 0.000 0.359 72 F C 1.228 176.488 175.800 -0.901 0.000 1.122 72 F CA -0.469 57.233 58.000 -0.498 0.000 1.160 72 F CB 1.397 40.208 39.000 -0.314 0.000 1.146 72 F HN 0.525 nan 8.300 nan 0.000 0.514 73 K N 1.779 121.961 120.400 -0.364 0.000 2.360 73 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 73 K C 1.829 178.296 176.600 -0.222 0.000 1.046 73 K CA 1.062 57.175 56.287 -0.291 0.000 0.940 73 K CB 0.021 32.513 32.500 -0.013 0.000 0.748 73 K HN 0.844 nan 8.250 nan 0.000 0.465 74 G N 1.150 109.827 108.800 -0.205 0.000 2.728 74 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.223 74 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.223 74 G C 1.376 176.158 174.900 -0.196 0.000 1.379 74 G CA -0.209 44.785 45.100 -0.177 0.000 0.870 74 G HN 0.022 nan 8.290 nan 0.000 0.591 75 I N 1.631 122.067 120.570 -0.224 0.000 2.145 75 I HA -0.211 3.958 4.170 -0.000 0.000 0.244 75 I C 1.789 177.836 176.117 -0.117 0.000 1.075 75 I CA 1.597 62.781 61.300 -0.194 0.000 1.332 75 I CB -0.099 37.727 38.000 -0.290 0.000 1.033 75 I HN 0.097 nan 8.210 nan 0.000 0.410 76 D N 0.462 120.768 120.400 -0.156 0.000 2.349 76 D HA 0.079 4.719 4.640 -0.000 0.000 0.215 76 D C 1.954 178.276 176.300 0.037 0.000 1.016 76 D CA 0.800 54.758 54.000 -0.071 0.000 0.870 76 D CB 0.175 40.902 40.800 -0.121 0.000 0.917 76 D HN 0.338 nan 8.370 nan 0.000 0.524 77 A N 0.194 122.971 122.820 -0.072 0.000 2.208 77 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 77 A C 0.885 178.518 177.584 0.082 0.000 1.161 77 A CA 0.033 52.143 52.037 0.121 0.000 0.782 77 A CB -0.253 18.791 19.000 0.073 0.000 0.816 77 A HN 0.106 nan 8.150 nan 0.000 0.477 78 L N 0.823 122.071 121.223 0.042 0.000 2.360 78 L HA 0.226 4.566 4.340 -0.000 0.000 0.276 78 L C -1.173 175.754 176.870 0.094 0.000 1.121 78 L CA -1.104 53.776 54.840 0.067 0.000 0.845 78 L CB 0.643 42.729 42.059 0.045 0.000 1.143 78 L HN 0.098 nan 8.230 nan 0.000 0.452 79 P HA -0.001 nan 4.420 nan 0.000 0.235 79 P C 0.064 177.407 177.300 0.072 0.000 1.177 79 P CA 0.705 63.866 63.100 0.102 0.000 0.785 79 P CB 0.544 32.315 31.700 0.118 0.000 0.885 80 L N 0.842 122.104 121.223 0.065 0.000 2.298 80 L HA 0.393 4.733 4.340 -0.000 0.000 0.284 80 L C 0.266 177.149 176.870 0.022 0.000 1.013 80 L CA -0.323 54.539 54.840 0.036 0.000 0.824 80 L CB 1.685 43.758 42.059 0.024 0.000 1.221 80 L HN -0.101 nan 8.230 nan 0.000 0.418 81 T N -0.282 114.283 114.554 0.019 0.000 2.907 81 T HA 0.925 5.274 4.350 -0.000 0.000 0.292 81 T C -0.113 174.591 174.700 0.007 0.000 1.043 81 T CA -0.698 61.406 62.100 0.006 0.000 1.003 81 T CB 2.482 71.361 68.868 0.017 0.000 1.084 81 T HN 0.659 nan 8.240 nan 0.000 0.483 82 G N 0.275 109.072 108.800 -0.005 0.000 2.749 82 G HA2 0.614 4.574 3.960 -0.000 0.000 0.300 82 G HA3 0.614 4.574 3.960 -0.000 0.000 0.300 82 G C -2.135 172.773 174.900 0.014 0.000 1.352 82 G CA -0.947 44.160 45.100 0.012 0.000 0.789 82 G HN 0.719 nan 8.290 nan 0.000 0.509 83 Q N -0.660 119.176 119.800 0.059 0.000 2.347 83 Q HA 0.610 4.950 4.340 -0.000 0.000 0.271 83 Q C -1.355 174.775 176.000 0.217 0.000 1.064 83 Q CA -0.800 55.068 55.803 0.107 0.000 0.800 83 Q CB 2.647 31.449 28.738 0.107 0.000 1.304 83 Q HN 0.725 nan 8.270 nan 0.000 0.438 84 Y N -1.366 118.991 120.300 0.096 0.000 2.570 84 Y HA 0.873 5.423 4.550 -0.000 0.000 0.345 84 Y C -0.819 175.160 175.900 0.130 0.000 1.014 84 Y CA -1.797 56.370 58.100 0.111 0.000 1.063 84 Y CB 0.766 39.291 38.460 0.107 0.000 1.272 84 Y HN 0.581 nan 8.280 nan 0.000 0.477 85 T N -0.146 114.448 114.554 0.066 0.000 2.859 85 T HA 0.527 4.877 4.350 -0.000 0.000 0.281 85 T C -0.815 173.702 174.700 -0.304 0.000 1.005 85 T CA -0.412 61.620 62.100 -0.113 0.000 1.025 85 T CB 0.976 69.878 68.868 0.056 0.000 0.977 85 T HN 0.963 nan 8.240 nan 0.000 0.458 86 H N -0.552 118.454 119.070 -0.106 0.000 2.777 86 H HA 0.322 4.878 4.556 -0.000 0.000 0.244 86 H C -0.322 174.939 175.328 -0.112 0.000 1.185 86 H CA -1.185 54.745 56.048 -0.198 0.000 0.945 86 H CB -1.204 28.503 29.762 -0.091 0.000 1.994 86 H HN 0.718 nan 8.280 nan 0.000 0.638 87 Y N 0.545 120.802 120.300 -0.073 0.000 2.550 87 Y HA 0.520 5.070 4.550 -0.000 0.000 0.343 87 Y C 0.437 176.325 175.900 -0.021 0.000 1.245 87 Y CA -0.753 57.334 58.100 -0.022 0.000 1.462 87 Y CB 0.426 38.856 38.460 -0.050 0.000 1.340 87 Y HN 0.317 nan 8.280 nan 0.000 0.604 88 A N 3.877 126.757 122.820 0.101 0.000 2.580 88 A HA 0.824 5.144 4.320 -0.000 0.000 0.275 88 A C -0.875 176.754 177.584 0.075 0.000 1.321 88 A CA -1.091 50.961 52.037 0.026 0.000 0.924 88 A CB 0.608 19.620 19.000 0.019 0.000 1.512 88 A HN 0.828 nan 8.150 nan 0.000 0.492 89 L N 0.249 121.493 121.223 0.035 0.000 2.354 89 L HA 0.370 4.710 4.340 -0.000 0.000 0.264 89 L C -0.226 176.658 176.870 0.025 0.000 1.008 89 L CA -0.922 53.933 54.840 0.026 0.000 0.819 89 L CB 1.790 43.865 42.059 0.027 0.000 1.339 89 L HN 0.787 nan 8.230 nan 0.000 0.420 90 N N 1.903 120.594 118.700 -0.015 0.000 2.458 90 N HA 0.032 4.772 4.740 -0.000 0.000 0.270 90 N C 0.532 176.025 175.510 -0.028 0.000 1.102 90 N CA 0.137 53.178 53.050 -0.017 0.000 0.967 90 N CB 1.585 40.049 38.487 -0.039 0.000 1.078 90 N HN 0.634 nan 8.380 nan 0.000 0.471 91 K N 3.940 124.309 120.400 -0.052 0.000 2.044 91 K HA -0.200 4.120 4.320 -0.000 0.000 0.210 91 K C 1.893 178.408 176.600 -0.141 0.000 1.049 91 K CA 1.476 57.663 56.287 -0.167 0.000 0.927 91 K CB 0.044 32.288 32.500 -0.427 0.000 0.713 91 K HN 0.622 nan 8.250 nan 0.000 0.443 92 K N 0.040 120.376 120.400 -0.107 0.000 2.001 92 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 92 K C 2.018 178.591 176.600 -0.046 0.000 1.048 92 K CA 2.167 58.410 56.287 -0.074 0.000 0.932 92 K CB -0.884 31.579 32.500 -0.061 0.000 0.715 92 K HN 0.294 nan 8.250 nan 0.000 0.437 93 T N -3.475 111.056 114.554 -0.039 0.000 3.035 93 T HA 0.209 4.559 4.350 -0.000 0.000 0.259 93 T C 1.615 176.301 174.700 -0.023 0.000 1.078 93 T CA 0.995 63.080 62.100 -0.025 0.000 1.132 93 T CB -0.261 68.593 68.868 -0.023 0.000 0.900 93 T HN 0.571 nan 8.240 nan 0.000 0.480 94 G N 1.320 110.099 108.800 -0.034 0.000 2.184 94 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 94 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 94 G C 0.052 174.938 174.900 -0.022 0.000 0.975 94 G CA 0.455 45.538 45.100 -0.028 0.000 0.642 94 G HN 0.709 nan 8.290 nan 0.000 0.536 95 K N 0.711 121.088 120.400 -0.038 0.000 2.090 95 K HA 0.497 4.817 4.320 -0.000 0.000 0.250 95 K C -2.329 174.202 176.600 -0.114 0.000 1.004 95 K CA -1.993 54.256 56.287 -0.064 0.000 0.919 95 K CB 0.718 33.180 32.500 -0.064 0.000 1.045 95 K HN -0.018 nan 8.250 nan 0.000 0.471 96 P HA -0.051 nan 4.420 nan 0.000 0.268 96 P C -1.183 175.802 177.300 -0.524 0.000 1.205 96 P CA 0.198 63.086 63.100 -0.353 0.000 0.771 96 P CB 0.451 31.741 31.700 -0.683 0.000 0.858 97 D N 1.970 122.170 120.400 -0.334 0.000 2.441 97 D HA 0.126 4.766 4.640 -0.000 0.000 0.231 97 D C 0.382 176.563 176.300 -0.198 0.000 1.073 97 D CA -0.520 53.323 54.000 -0.263 0.000 0.850 97 D CB 0.390 41.151 40.800 -0.066 0.000 1.062 97 D HN 0.256 nan 8.370 nan 0.000 0.524 98 Y N 1.649 121.988 120.300 0.066 0.000 2.315 98 Y HA -0.069 4.481 4.550 -0.000 0.000 0.288 98 Y C 1.088 177.056 175.900 0.113 0.000 1.154 98 Y CA 0.503 58.648 58.100 0.074 0.000 1.229 98 Y CB 0.003 38.476 38.460 0.022 0.000 0.980 98 Y HN 0.145 nan 8.280 nan 0.000 0.540 99 V N 0.347 120.384 119.914 0.204 0.000 2.349 99 V HA 0.200 4.320 4.120 -0.000 0.000 0.284 99 V C 0.193 176.366 176.094 0.132 0.000 1.014 99 V CA -1.041 61.370 62.300 0.184 0.000 0.826 99 V CB 1.258 33.166 31.823 0.141 0.000 1.009 99 V HN 0.041 nan 8.190 nan 0.000 0.431 100 T N 3.558 118.212 114.554 0.166 0.000 2.868 100 T HA 0.267 4.617 4.350 -0.000 0.000 0.292 100 T C -0.049 174.701 174.700 0.083 0.000 1.028 100 T CA -0.370 61.799 62.100 0.115 0.000 1.059 100 T CB 0.742 69.704 68.868 0.156 0.000 0.991 100 T HN 0.949 nan 8.240 nan 0.000 0.531 101 D N 1.419 121.857 120.400 0.064 0.000 2.529 101 D HA 0.310 4.949 4.640 -0.000 0.000 0.273 101 D C 1.038 177.433 176.300 0.159 0.000 1.197 101 D CA -0.598 53.462 54.000 0.099 0.000 1.070 101 D CB 0.415 41.232 40.800 0.027 0.000 1.134 101 D HN 0.384 nan 8.370 nan 0.000 0.590 102 S N -0.901 114.948 115.700 0.247 0.000 2.406 102 S HA 0.013 4.483 4.470 -0.000 0.000 0.228 102 S C 1.820 176.454 174.600 0.058 0.000 1.020 102 S CA 0.893 59.239 58.200 0.243 0.000 0.965 102 S CB -0.377 62.995 63.200 0.286 0.000 0.798 102 S HN 0.632 nan 8.310 nan 0.000 0.488 103 A N 1.611 124.430 122.820 -0.001 0.000 1.872 103 A HA 0.227 4.547 4.320 -0.000 0.000 0.214 103 A C 2.337 179.809 177.584 -0.187 0.000 1.187 103 A CA 1.482 53.456 52.037 -0.105 0.000 0.614 103 A CB -1.063 17.878 19.000 -0.098 0.000 0.826 103 A HN 0.491 nan 8.150 nan 0.000 0.442 104 A N 0.322 123.051 122.820 -0.153 0.000 1.969 104 A HA -0.057 4.262 4.320 -0.000 0.000 0.218 104 A C 2.465 179.933 177.584 -0.194 0.000 1.169 104 A CA 2.223 54.146 52.037 -0.190 0.000 0.635 104 A CB -0.831 18.083 19.000 -0.143 0.000 0.810 104 A HN 0.839 nan 8.150 nan 0.000 0.445 105 S N 0.192 115.816 115.700 -0.126 0.000 2.371 105 S HA 0.114 4.584 4.470 -0.000 0.000 0.224 105 S C 2.129 176.451 174.600 -0.465 0.000 1.029 105 S CA 1.043 59.181 58.200 -0.103 0.000 0.978 105 S CB -0.675 62.602 63.200 0.128 0.000 0.833 105 S HN 0.812 nan 8.310 nan 0.000 0.466 106 A N 1.926 124.305 122.820 -0.734 0.000 1.933 106 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 106 A C 2.378 179.286 177.584 -1.126 0.000 1.175 106 A CA 2.015 53.125 52.037 -1.545 0.000 0.628 106 A CB -1.644 16.828 19.000 -0.880 0.000 0.814 106 A HN 0.528 nan 8.150 nan 0.000 0.444 107 T N 0.281 114.471 114.554 -0.606 0.000 2.788 107 T HA -0.044 4.306 4.350 -0.000 0.000 0.268 107 T C 2.200 176.662 174.700 -0.396 0.000 1.044 107 T CA 1.538 63.379 62.100 -0.432 0.000 1.139 107 T CB -0.421 68.254 68.868 -0.321 0.000 0.867 107 T HN 0.610 nan 8.240 nan 0.000 0.454 108 A N 1.466 124.074 122.820 -0.354 0.000 1.858 108 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 108 A C 2.150 179.689 177.584 -0.075 0.000 1.190 108 A CA 1.874 53.785 52.037 -0.210 0.000 0.617 108 A CB -1.118 17.793 19.000 -0.148 0.000 0.827 108 A HN 0.862 nan 8.150 nan 0.000 0.443 109 W N 1.078 122.379 121.300 0.003 0.000 2.584 109 W HA 0.046 4.706 4.660 -0.000 0.000 0.264 109 W C 1.785 178.387 176.519 0.139 0.000 1.264 109 W CA 1.181 58.586 57.345 0.100 0.000 1.306 109 W CB -0.921 28.627 29.460 0.146 0.000 1.110 109 W HN 0.330 nan 8.180 nan 0.000 0.606 110 S N -0.300 115.277 115.700 -0.205 0.000 2.496 110 S HA 0.002 4.471 4.470 -0.000 0.000 0.224 110 S C 1.446 176.037 174.600 -0.014 0.000 0.996 110 S CA 1.069 59.250 58.200 -0.031 0.000 0.927 110 S CB -0.835 62.255 63.200 -0.183 0.000 0.774 110 S HN 0.400 nan 8.310 nan 0.000 0.524 111 T N -4.555 109.790 114.554 -0.348 0.000 3.046 111 T HA 0.534 4.883 4.350 -0.000 0.000 0.270 111 T C 1.428 175.224 174.700 -1.508 0.000 0.920 111 T CA 0.592 62.229 62.100 -0.771 0.000 0.874 111 T CB 0.150 68.788 68.868 -0.382 0.000 1.214 111 T HN 1.175 nan 8.240 nan 0.000 0.536 112 G N 0.842 109.037 108.800 -1.008 0.000 2.143 112 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.249 112 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.249 112 G C 0.003 174.732 174.900 -0.285 0.000 0.981 112 G CA 0.110 44.818 45.100 -0.654 0.000 0.665 112 G HN 1.210 nan 8.290 nan 0.000 0.528 113 V N 0.550 120.246 119.914 -0.363 0.000 2.604 113 V HA 0.695 4.815 4.120 -0.000 0.000 0.305 113 V C 0.121 176.074 176.094 -0.234 0.000 1.043 113 V CA -1.296 60.830 62.300 -0.291 0.000 0.888 113 V CB 1.618 33.162 31.823 -0.465 0.000 0.995 113 V HN 0.189 nan 8.190 nan 0.000 0.429 114 K N 2.995 123.291 120.400 -0.173 0.000 2.258 114 K HA 0.442 4.762 4.320 -0.000 0.000 0.264 114 K C -0.068 176.445 176.600 -0.144 0.000 1.007 114 K CA 0.083 56.272 56.287 -0.163 0.000 0.941 114 K CB 1.385 33.808 32.500 -0.128 0.000 0.966 114 K HN 0.872 nan 8.250 nan 0.000 0.480 115 T N 0.090 114.561 114.554 -0.139 0.000 2.671 115 T HA 0.429 4.779 4.350 -0.000 0.000 0.300 115 T C -1.482 173.171 174.700 -0.078 0.000 1.238 115 T CA -0.750 61.278 62.100 -0.121 0.000 1.020 115 T CB 0.370 69.095 68.868 -0.239 0.000 1.503 115 T HN 0.416 nan 8.240 nan 0.000 0.497 116 Y N 0.949 121.204 120.300 -0.076 0.000 2.307 116 Y HA 0.670 5.219 4.550 -0.000 0.000 0.324 116 Y C 0.402 176.273 175.900 -0.047 0.000 1.238 116 Y CA -1.325 56.739 58.100 -0.059 0.000 1.280 116 Y CB 0.031 38.456 38.460 -0.058 0.000 1.248 116 Y HN 0.345 nan 8.280 nan 0.000 0.508 117 N N 1.481 120.226 118.700 0.076 0.000 2.411 117 N HA 0.284 5.024 4.740 -0.000 0.000 0.261 117 N C 1.018 176.538 175.510 0.016 0.000 1.248 117 N CA 1.354 54.409 53.050 0.007 0.000 0.885 117 N CB 0.900 39.409 38.487 0.037 0.000 1.062 117 N HN 1.103 nan 8.380 nan 0.000 0.471 118 G N 0.070 108.823 108.800 -0.079 0.000 2.259 118 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.217 118 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.217 118 G C 0.210 175.009 174.900 -0.167 0.000 1.001 118 G CA 0.090 45.159 45.100 -0.051 0.000 0.627 118 G HN 0.888 nan 8.290 nan 0.000 0.501 119 A N 0.369 122.896 122.820 -0.489 0.000 2.371 119 A HA 0.762 5.082 4.320 -0.000 0.000 0.257 119 A C 0.025 177.412 177.584 -0.328 0.000 1.089 119 A CA 0.227 51.913 52.037 -0.586 0.000 0.794 119 A CB 0.479 18.745 19.000 -1.224 0.000 1.029 119 A HN 0.918 nan 8.150 nan 0.000 0.488 120 L N 1.740 122.829 121.223 -0.223 0.000 2.404 120 L HA 0.532 4.872 4.340 -0.000 0.000 0.272 120 L C 1.041 177.813 176.870 -0.164 0.000 0.980 120 L CA 0.110 54.833 54.840 -0.195 0.000 0.836 120 L CB 1.703 43.666 42.059 -0.159 0.000 1.238 120 L HN 1.233 nan 8.230 nan 0.000 0.408 121 G N 2.793 111.487 108.800 -0.177 0.000 2.179 121 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.257 121 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.257 121 G C -0.138 174.866 174.900 0.173 0.000 1.010 121 G CA 0.497 45.561 45.100 -0.060 0.000 0.736 121 G HN 0.717 nan 8.290 nan 0.000 0.513 122 V N -3.038 116.903 119.914 0.045 0.000 3.078 122 V HA 0.891 5.011 4.120 -0.000 0.000 0.311 122 V C 0.070 176.204 176.094 0.068 0.000 1.138 122 V CA -0.436 61.935 62.300 0.118 0.000 1.007 122 V CB 2.156 34.047 31.823 0.112 0.000 1.045 122 V HN 0.425 nan 8.190 nan 0.000 0.432 123 D N 1.844 122.349 120.400 0.175 0.000 2.507 123 D HA 0.279 4.919 4.640 -0.000 0.000 0.280 123 D C 1.326 177.714 176.300 0.147 0.000 1.219 123 D CA -0.074 53.985 54.000 0.099 0.000 1.085 123 D CB 0.558 41.429 40.800 0.118 0.000 1.134 123 D HN 0.845 nan 8.370 nan 0.000 0.583 124 I N -3.119 117.467 120.570 0.026 0.000 2.756 124 I HA -0.083 4.087 4.170 -0.000 0.000 0.262 124 I C 0.871 176.865 176.117 -0.205 0.000 1.225 124 I CA 0.906 62.182 61.300 -0.040 0.000 1.472 124 I CB -0.450 37.441 38.000 -0.182 0.000 1.094 124 I HN 0.225 nan 8.210 nan 0.000 0.454 125 H N 1.794 120.929 119.070 0.108 0.000 2.529 125 H HA 0.248 4.804 4.556 -0.000 0.000 0.277 125 H C 0.094 175.465 175.328 0.072 0.000 1.004 125 H CA 0.230 56.315 56.048 0.061 0.000 1.167 125 H CB 0.009 29.803 29.762 0.052 0.000 1.445 125 H HN 0.535 nan 8.280 nan 0.000 0.554 126 E N 0.330 120.644 120.200 0.191 0.000 2.868 126 E HA -0.198 4.152 4.350 -0.000 0.000 0.278 126 E C 0.291 176.967 176.600 0.126 0.000 1.009 126 E CA 0.408 56.913 56.400 0.175 0.000 0.856 126 E CB -0.957 28.824 29.700 0.134 0.000 1.428 126 E HN 0.391 nan 8.360 nan 0.000 0.423 127 K N 1.662 122.145 120.400 0.138 0.000 2.205 127 K HA 0.138 4.458 4.320 -0.000 0.000 0.279 127 K C -0.376 176.209 176.600 -0.024 0.000 1.027 127 K CA -0.594 55.708 56.287 0.026 0.000 0.932 127 K CB 0.746 33.243 32.500 -0.004 0.000 1.032 127 K HN -0.153 nan 8.250 nan 0.000 0.466 128 D N 3.151 123.472 120.400 -0.131 0.000 2.424 128 D HA 0.069 4.709 4.640 -0.000 0.000 0.244 128 D C -0.338 175.747 176.300 -0.359 0.000 1.134 128 D CA 0.515 54.407 54.000 -0.179 0.000 0.881 128 D CB 0.410 41.010 40.800 -0.333 0.000 1.191 128 D HN 0.421 nan 8.370 nan 0.000 0.445 129 H N 1.424 120.471 119.070 -0.039 0.000 2.600 129 H HA 0.307 4.863 4.556 -0.000 0.000 0.357 129 H C -2.218 173.119 175.328 0.014 0.000 1.106 129 H CA -1.762 54.260 56.048 -0.045 0.000 1.193 129 H CB 1.851 31.566 29.762 -0.078 0.000 1.594 129 H HN 0.084 nan 8.280 nan 0.000 0.526 130 P HA -0.036 nan 4.420 nan 0.000 0.269 130 P C 0.254 177.636 177.300 0.136 0.000 1.209 130 P CA 0.008 63.172 63.100 0.107 0.000 0.776 130 P CB 0.563 32.305 31.700 0.070 0.000 0.876 131 T N -0.367 114.273 114.554 0.143 0.000 2.934 131 T HA 0.232 4.581 4.350 -0.000 0.000 0.283 131 T C 1.155 175.901 174.700 0.077 0.000 1.005 131 T CA -0.607 61.546 62.100 0.089 0.000 1.041 131 T CB 0.443 69.321 68.868 0.017 0.000 1.042 131 T HN 0.118 nan 8.240 nan 0.000 0.505 132 I N 1.406 122.017 120.570 0.068 0.000 2.315 132 I HA -0.084 4.086 4.170 -0.000 0.000 0.251 132 I C 1.976 177.868 176.117 -0.374 0.000 1.125 132 I CA 1.090 62.280 61.300 -0.184 0.000 1.392 132 I CB -0.838 36.950 38.000 -0.352 0.000 1.065 132 I HN 0.822 nan 8.210 nan 0.000 0.424 133 L N -0.081 120.961 121.223 -0.302 0.000 2.023 133 L HA -0.196 4.143 4.340 -0.000 0.000 0.205 133 L C 2.413 179.258 176.870 -0.043 0.000 1.073 133 L CA 1.496 56.231 54.840 -0.176 0.000 0.745 133 L CB -0.489 41.582 42.059 0.019 0.000 0.900 133 L HN 0.232 nan 8.230 nan 0.000 0.435 134 E N -0.373 119.827 120.200 0.001 0.000 2.118 134 E HA -0.285 4.065 4.350 -0.000 0.000 0.195 134 E C 2.168 178.776 176.600 0.014 0.000 0.992 134 E CA 1.810 58.231 56.400 0.035 0.000 0.804 134 E CB -0.212 29.532 29.700 0.072 0.000 0.741 134 E HN 0.560 nan 8.360 nan 0.000 0.458 135 M N 0.306 119.901 119.600 -0.009 0.000 2.132 135 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 135 M C 2.481 178.760 176.300 -0.036 0.000 1.065 135 M CA 1.408 56.697 55.300 -0.019 0.000 1.122 135 M CB -0.156 32.427 32.600 -0.030 0.000 1.365 135 M HN 0.137 nan 8.290 nan 0.000 0.411 136 A N 0.336 123.117 122.820 -0.066 0.000 1.898 136 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 136 A C 2.094 179.690 177.584 0.021 0.000 1.181 136 A CA 1.908 53.928 52.037 -0.027 0.000 0.620 136 A CB -0.593 18.396 19.000 -0.019 0.000 0.819 136 A HN 0.408 nan 8.150 nan 0.000 0.442 137 K N -0.129 120.290 120.400 0.032 0.000 2.020 137 K HA -0.153 4.167 4.320 -0.000 0.000 0.212 137 K C 2.094 178.713 176.600 0.031 0.000 1.050 137 K CA 1.572 57.886 56.287 0.045 0.000 0.929 137 K CB -0.409 32.119 32.500 0.047 0.000 0.714 137 K HN 0.355 nan 8.250 nan 0.000 0.443 138 A N 0.530 123.363 122.820 0.022 0.000 1.986 138 A HA -0.131 4.188 4.320 -0.000 0.000 0.220 138 A C 2.165 179.758 177.584 0.014 0.000 1.171 138 A CA 1.987 54.035 52.037 0.017 0.000 0.640 138 A CB -0.751 18.258 19.000 0.015 0.000 0.811 138 A HN 0.493 nan 8.150 nan 0.000 0.451 139 A N -2.129 120.698 122.820 0.011 0.000 2.238 139 A HA 0.421 4.741 4.320 -0.000 0.000 0.208 139 A C 1.725 179.320 177.584 0.018 0.000 1.177 139 A CA 1.164 53.207 52.037 0.009 0.000 0.804 139 A CB -0.811 18.188 19.000 -0.001 0.000 0.823 139 A HN 1.911 nan 8.150 nan 0.000 0.482 140 G N -1.284 107.532 108.800 0.026 0.000 2.141 140 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.231 140 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.231 140 G C 0.047 174.976 174.900 0.048 0.000 0.984 140 G CA 0.178 45.298 45.100 0.033 0.000 0.660 140 G HN 0.382 nan 8.290 nan 0.000 0.525 141 L N 0.387 121.647 121.223 0.061 0.000 2.421 141 L HA 0.711 5.051 4.340 -0.000 0.000 0.263 141 L C 1.156 178.098 176.870 0.120 0.000 1.122 141 L CA -0.306 54.592 54.840 0.096 0.000 0.804 141 L CB 1.135 43.256 42.059 0.105 0.000 1.150 141 L HN 0.306 nan 8.230 nan 0.000 0.457 142 A N 0.976 123.893 122.820 0.162 0.000 2.322 142 A HA 0.601 4.920 4.320 -0.000 0.000 0.269 142 A C 0.019 177.724 177.584 0.202 0.000 1.094 142 A CA -0.253 51.870 52.037 0.142 0.000 0.807 142 A CB 0.503 19.567 19.000 0.106 0.000 1.047 142 A HN 0.750 nan 8.150 nan 0.000 0.487 143 T N -0.711 113.936 114.554 0.155 0.000 2.848 143 T HA 0.712 5.061 4.350 -0.000 0.000 0.285 143 T C -0.152 174.627 174.700 0.133 0.000 0.995 143 T CA -0.023 62.208 62.100 0.218 0.000 0.970 143 T CB 1.683 70.679 68.868 0.215 0.000 0.976 143 T HN 1.303 nan 8.240 nan 0.000 0.441 144 G N 1.137 110.008 108.800 0.119 0.000 2.482 144 G HA2 0.590 4.550 3.960 -0.000 0.000 0.317 144 G HA3 0.590 4.550 3.960 -0.000 0.000 0.317 144 G C -1.372 173.554 174.900 0.044 0.000 1.241 144 G CA -0.860 44.252 45.100 0.019 0.000 0.967 144 G HN 0.765 nan 8.290 nan 0.000 0.482 145 N N 0.747 119.472 118.700 0.042 0.000 2.558 145 N HA 0.460 5.199 4.740 -0.000 0.000 0.285 145 N C -1.347 174.182 175.510 0.032 0.000 1.112 145 N CA -0.295 52.792 53.050 0.061 0.000 0.857 145 N CB 1.941 40.487 38.487 0.098 0.000 1.376 145 N HN 0.269 nan 8.380 nan 0.000 0.526 146 V N 1.464 121.387 119.914 0.015 0.000 2.540 146 V HA 0.811 4.931 4.120 -0.000 0.000 0.302 146 V C -0.255 175.851 176.094 0.019 0.000 1.035 146 V CA -0.638 61.669 62.300 0.012 0.000 0.873 146 V CB 1.491 33.304 31.823 -0.017 0.000 0.992 146 V HN 0.680 nan 8.190 nan 0.000 0.428 147 S N 1.830 117.550 115.700 0.033 0.000 2.565 147 S HA 0.440 4.909 4.470 -0.000 0.000 0.269 147 S C 0.629 175.253 174.600 0.039 0.000 1.153 147 S CA 0.239 58.458 58.200 0.031 0.000 0.835 147 S CB 2.197 65.422 63.200 0.042 0.000 1.122 147 S HN 1.004 nan 8.310 nan 0.000 0.462 148 T N 0.533 115.102 114.554 0.025 0.000 3.100 148 T HA 0.512 4.861 4.350 -0.000 0.000 0.253 148 T C 0.876 175.603 174.700 0.045 0.000 1.118 148 T CA 0.470 62.587 62.100 0.029 0.000 1.058 148 T CB -0.152 68.715 68.868 -0.001 0.000 0.953 148 T HN 0.879 nan 8.240 nan 0.000 0.515 149 A N 1.291 124.140 122.820 0.049 0.000 2.240 149 A HA 0.532 4.852 4.320 -0.000 0.000 0.292 149 A C 0.102 177.719 177.584 0.054 0.000 1.121 149 A CA -0.804 51.268 52.037 0.058 0.000 0.851 149 A CB 0.306 19.345 19.000 0.065 0.000 1.167 149 A HN 0.497 nan 8.150 nan 0.000 0.503 150 E N -0.535 119.700 120.200 0.059 0.000 2.413 150 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 150 E C 0.403 176.993 176.600 -0.017 0.000 1.015 150 E CA -0.069 56.353 56.400 0.037 0.000 0.916 150 E CB 0.408 30.145 29.700 0.061 0.000 0.947 150 E HN 0.510 nan 8.360 nan 0.000 0.440 151 L N 2.538 123.748 121.223 -0.022 0.000 2.362 151 L HA -0.200 4.140 4.340 -0.000 0.000 0.219 151 L C 1.790 178.576 176.870 -0.142 0.000 1.134 151 L CA 0.880 55.697 54.840 -0.037 0.000 0.807 151 L CB -0.213 41.859 42.059 0.021 0.000 0.927 151 L HN 0.496 nan 8.230 nan 0.000 0.447 152 Q N -0.861 118.757 119.800 -0.303 0.000 2.389 152 Q HA -0.013 4.326 4.340 -0.000 0.000 0.204 152 Q C 0.514 176.180 176.000 -0.558 0.000 0.944 152 Q CA 0.230 55.660 55.803 -0.623 0.000 0.908 152 Q CB -0.199 27.798 28.738 -1.235 0.000 1.002 152 Q HN 0.259 nan 8.270 nan 0.000 0.493 153 D N -0.321 119.917 120.400 -0.271 0.000 2.419 153 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 153 D C 0.979 177.264 176.300 -0.025 0.000 1.165 153 D CA 0.639 54.617 54.000 -0.038 0.000 0.882 153 D CB 0.756 41.587 40.800 0.052 0.000 1.201 153 D HN 0.153 nan 8.370 nan 0.000 0.443 154 A N 2.542 125.382 122.820 0.033 0.000 1.896 154 A HA -0.282 4.038 4.320 -0.000 0.000 0.220 154 A C 2.145 179.718 177.584 -0.018 0.000 1.206 154 A CA 2.730 54.770 52.037 0.005 0.000 0.647 154 A CB -1.174 17.849 19.000 0.039 0.000 0.828 154 A HN 0.726 nan 8.150 nan 0.000 0.455 155 T N 0.353 114.930 114.554 0.039 0.000 2.674 155 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 155 T C -0.134 174.610 174.700 0.075 0.000 1.039 155 T CA 1.748 63.897 62.100 0.081 0.000 1.150 155 T CB -1.254 67.717 68.868 0.171 0.000 0.864 155 T HN 0.558 nan 8.240 nan 0.000 0.427 156 P HA 0.182 nan 4.420 nan 0.000 0.222 156 P C 1.339 178.637 177.300 -0.003 0.000 1.153 156 P CA 0.957 64.086 63.100 0.048 0.000 0.798 156 P CB -0.176 31.544 31.700 0.034 0.000 0.796 157 A N 0.749 123.536 122.820 -0.054 0.000 2.015 157 A HA 0.049 4.368 4.320 -0.000 0.000 0.219 157 A C 2.404 179.909 177.584 -0.130 0.000 1.163 157 A CA 1.599 53.576 52.037 -0.101 0.000 0.646 157 A CB -1.434 17.484 19.000 -0.137 0.000 0.806 157 A HN 0.206 nan 8.150 nan 0.000 0.448 158 A N -0.323 122.413 122.820 -0.139 0.000 2.070 158 A HA 0.002 4.322 4.320 -0.000 0.000 0.220 158 A C 1.981 179.452 177.584 -0.188 0.000 1.159 158 A CA 1.284 53.196 52.037 -0.209 0.000 0.656 158 A CB -0.471 18.360 19.000 -0.281 0.000 0.800 158 A HN 0.487 nan 8.150 nan 0.000 0.453 159 L N -0.724 120.449 121.223 -0.082 0.000 2.418 159 L HA -0.029 4.311 4.340 -0.000 0.000 0.218 159 L C 1.786 178.624 176.870 -0.053 0.000 1.125 159 L CA 1.118 55.944 54.840 -0.023 0.000 0.835 159 L CB 0.144 42.269 42.059 0.109 0.000 0.953 159 L HN 0.458 nan 8.230 nan 0.000 0.454 160 V N -5.428 114.428 119.914 -0.098 0.000 3.382 160 V HA 0.559 4.679 4.120 -0.000 0.000 0.296 160 V C 0.363 176.369 176.094 -0.148 0.000 1.529 160 V CA -0.066 62.191 62.300 -0.071 0.000 1.048 160 V CB 0.277 32.095 31.823 -0.007 0.000 0.878 160 V HN 0.072 nan 8.190 nan 0.000 0.442 161 A N 0.247 122.887 122.820 -0.300 0.000 2.435 161 A HA 0.859 5.179 4.320 -0.000 0.000 0.304 161 A C -1.065 176.221 177.584 -0.498 0.000 1.064 161 A CA -0.486 51.396 52.037 -0.258 0.000 0.727 161 A CB 1.126 20.039 19.000 -0.145 0.000 1.284 161 A HN 0.520 nan 8.150 nan 0.000 0.415 162 H N 1.566 120.618 119.070 -0.030 0.000 2.860 162 H HA 0.531 5.087 4.556 -0.000 0.000 0.312 162 H C -0.850 174.467 175.328 -0.017 0.000 0.995 162 H CA -0.355 55.675 56.048 -0.029 0.000 1.311 162 H CB 1.329 31.079 29.762 -0.021 0.000 1.478 162 H HN 0.725 nan 8.280 nan 0.000 0.508 163 V N -0.100 119.842 119.914 0.046 0.000 3.049 163 V HA 0.316 4.435 4.120 -0.000 0.000 0.309 163 V C 1.175 177.296 176.094 0.046 0.000 1.148 163 V CA -0.786 61.541 62.300 0.046 0.000 0.990 163 V CB 1.789 33.626 31.823 0.024 0.000 1.039 163 V HN 0.717 nan 8.190 nan 0.000 0.430 164 T N -1.454 113.149 114.554 0.081 0.000 2.995 164 T HA 0.101 4.450 4.350 -0.000 0.000 0.269 164 T C 0.814 175.602 174.700 0.146 0.000 1.091 164 T CA 1.150 63.339 62.100 0.148 0.000 1.128 164 T CB -0.133 68.819 68.868 0.140 0.000 0.891 164 T HN 1.384 nan 8.240 nan 0.000 0.492 165 S N 0.718 116.464 115.700 0.077 0.000 2.575 165 S HA 0.391 4.860 4.470 -0.000 0.000 0.278 165 S C 0.875 175.499 174.600 0.041 0.000 1.139 165 S CA -1.044 57.193 58.200 0.062 0.000 0.954 165 S CB 1.608 64.847 63.200 0.065 0.000 1.054 165 S HN 0.477 nan 8.310 nan 0.000 0.483 166 R N 3.482 124.000 120.500 0.030 0.000 2.241 166 R HA 0.028 4.368 4.340 -0.000 0.000 0.224 166 R C 0.755 177.143 176.300 0.147 0.000 1.101 166 R CA 0.978 57.113 56.100 0.058 0.000 0.995 166 R CB -0.323 30.002 30.300 0.040 0.000 0.870 166 R HN 0.479 nan 8.270 nan 0.000 0.463 167 K N 0.445 120.896 120.400 0.086 0.000 2.432 167 K HA 0.041 4.361 4.320 -0.000 0.000 0.196 167 K C 0.450 177.101 176.600 0.085 0.000 1.038 167 K CA 0.394 56.698 56.287 0.029 0.000 0.986 167 K CB 0.190 32.665 32.500 -0.041 0.000 0.782 167 K HN 0.166 nan 8.250 nan 0.000 0.485 168 c N 2.781 121.459 118.600 0.130 0.000 3.424 168 c HA 0.111 4.681 4.570 -0.000 0.000 0.577 168 c C 1.527 175.723 174.090 0.176 0.000 1.086 168 c CA -0.784 55.613 56.329 0.112 0.000 1.153 168 c CB -2.532 40.013 42.510 0.059 0.000 1.411 168 c HN 0.312 nan 8.230 nan 0.000 0.636 169 Y N 1.755 122.022 120.300 -0.056 0.000 2.070 169 Y HA 0.061 4.611 4.550 -0.000 0.000 0.280 169 Y C 1.903 177.736 175.900 -0.113 0.000 1.148 169 Y CA 1.782 59.834 58.100 -0.080 0.000 1.125 169 Y CB -0.710 37.707 38.460 -0.072 0.000 0.975 169 Y HN 0.521 nan 8.280 nan 0.000 0.492 170 G N -3.023 105.828 108.800 0.085 0.000 3.176 170 G HA2 0.364 4.324 3.960 -0.000 0.000 0.272 170 G HA3 0.364 4.324 3.960 -0.000 0.000 0.272 170 G C -2.139 172.756 174.900 -0.008 0.000 1.349 170 G CA -0.954 44.132 45.100 -0.024 0.000 0.953 170 G HN -0.210 nan 8.290 nan 0.000 0.559 171 P HA -0.178 nan 4.420 nan 0.000 0.216 171 P C 2.409 179.709 177.300 -0.001 0.000 1.157 171 P CA 2.768 65.865 63.100 -0.006 0.000 0.880 171 P CB 0.065 31.761 31.700 -0.006 0.000 0.791 172 S N -0.408 115.290 115.700 -0.003 0.000 2.348 172 S HA -0.175 4.294 4.470 -0.000 0.000 0.221 172 S C 2.131 176.727 174.600 -0.007 0.000 1.033 172 S CA 1.587 59.784 58.200 -0.005 0.000 1.010 172 S CB -1.518 61.677 63.200 -0.008 0.000 0.891 172 S HN 0.128 nan 8.310 nan 0.000 0.442 173 A N 1.244 124.060 122.820 -0.007 0.000 1.930 173 A HA 0.042 4.362 4.320 -0.000 0.000 0.217 173 A C 2.424 180.009 177.584 0.001 0.000 1.175 173 A CA 1.926 53.955 52.037 -0.013 0.000 0.627 173 A CB -1.599 17.389 19.000 -0.020 0.000 0.815 173 A HN 0.600 nan 8.150 nan 0.000 0.443 174 T N 0.461 115.022 114.554 0.012 0.000 2.708 174 T HA -0.129 4.220 4.350 -0.000 0.000 0.266 174 T C 2.243 176.949 174.700 0.010 0.000 1.037 174 T CA 1.789 63.898 62.100 0.015 0.000 1.146 174 T CB -0.377 68.501 68.868 0.016 0.000 0.865 174 T HN 0.542 nan 8.240 nan 0.000 0.435 175 S N 1.717 117.420 115.700 0.006 0.000 2.387 175 S HA -0.214 4.256 4.470 -0.000 0.000 0.230 175 S C 2.112 176.713 174.600 0.001 0.000 1.035 175 S CA 1.754 59.956 58.200 0.004 0.000 1.014 175 S CB -0.370 62.832 63.200 0.002 0.000 0.836 175 S HN 0.862 nan 8.310 nan 0.000 0.466 176 E N 1.057 121.256 120.200 -0.002 0.000 2.190 176 E HA 0.033 4.383 4.350 -0.000 0.000 0.191 176 E C 1.652 178.251 176.600 -0.003 0.000 0.978 176 E CA 0.508 56.905 56.400 -0.005 0.000 0.839 176 E CB -0.060 29.634 29.700 -0.010 0.000 0.787 176 E HN 0.348 nan 8.360 nan 0.000 0.473 177 K N -0.259 120.141 120.400 0.000 0.000 2.370 177 K HA 0.224 4.544 4.320 -0.000 0.000 0.194 177 K C 0.228 176.837 176.600 0.016 0.000 1.070 177 K CA 0.288 56.578 56.287 0.005 0.000 0.998 177 K CB 1.005 33.505 32.500 -0.000 0.000 0.911 177 K HN 0.082 nan 8.250 nan 0.000 0.533 178 c N 3.037 121.649 118.600 0.019 0.000 3.163 178 c HA 0.238 4.808 4.570 -0.000 0.000 0.228 178 c C -1.523 172.579 174.090 0.021 0.000 1.593 178 c CA -1.300 55.045 56.329 0.026 0.000 1.489 178 c CB 0.293 42.824 42.510 0.034 0.000 2.294 178 c HN 0.226 nan 8.230 nan 0.000 0.508 179 P HA -0.162 nan 4.420 nan 0.000 0.217 179 P C 1.643 178.951 177.300 0.013 0.000 1.151 179 P CA 2.079 65.186 63.100 0.011 0.000 0.849 179 P CB 0.154 31.858 31.700 0.007 0.000 0.787 180 G N -0.641 108.169 108.800 0.017 0.000 2.471 180 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.219 180 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.219 180 G C 1.294 176.206 174.900 0.021 0.000 1.125 180 G CA 0.585 45.695 45.100 0.018 0.000 0.775 180 G HN 0.368 nan 8.290 nan 0.000 0.548 181 N N 0.050 118.765 118.700 0.025 0.000 2.356 181 N HA 0.308 5.048 4.740 -0.000 0.000 0.178 181 N C 0.999 176.523 175.510 0.023 0.000 1.075 181 N CA 0.088 53.154 53.050 0.028 0.000 0.889 181 N CB 0.388 38.896 38.487 0.035 0.000 0.999 181 N HN 0.259 nan 8.380 nan 0.000 0.464 182 A N 0.950 123.781 122.820 0.019 0.000 2.548 182 A HA -0.012 4.308 4.320 -0.000 0.000 0.247 182 A C 1.278 178.872 177.584 0.017 0.000 1.067 182 A CA -0.147 51.900 52.037 0.016 0.000 0.757 182 A CB 0.026 19.033 19.000 0.012 0.000 0.996 182 A HN 0.273 nan 8.150 nan 0.000 0.504 183 L N 2.148 123.383 121.223 0.020 0.000 2.043 183 L HA -0.210 4.130 4.340 -0.000 0.000 0.212 183 L C 2.655 179.536 176.870 0.018 0.000 1.075 183 L CA 2.711 57.566 54.840 0.025 0.000 0.752 183 L CB -0.429 41.652 42.059 0.036 0.000 0.891 183 L HN 0.911 nan 8.230 nan 0.000 0.432 184 E N -0.365 119.844 120.200 0.014 0.000 2.347 184 E HA -0.219 4.130 4.350 -0.000 0.000 0.196 184 E C 1.203 177.806 176.600 0.005 0.000 1.008 184 E CA 1.076 57.481 56.400 0.008 0.000 0.852 184 E CB -0.191 29.513 29.700 0.008 0.000 0.783 184 E HN 0.539 nan 8.360 nan 0.000 0.505 185 K N -0.042 120.362 120.400 0.007 0.000 2.440 185 K HA 0.223 4.543 4.320 -0.000 0.000 0.206 185 K C 0.523 177.125 176.600 0.004 0.000 1.025 185 K CA 0.328 56.617 56.287 0.004 0.000 1.135 185 K CB 0.805 33.308 32.500 0.005 0.000 0.856 185 K HN 0.261 nan 8.250 nan 0.000 0.502 186 G N 1.124 109.927 108.800 0.005 0.000 2.143 186 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.249 186 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.249 186 G C 0.418 175.323 174.900 0.008 0.000 0.981 186 G CA -0.102 45.001 45.100 0.005 0.000 0.665 186 G HN 0.496 nan 8.290 nan 0.000 0.528 187 G N -0.892 107.916 108.800 0.013 0.000 2.563 187 G HA2 0.528 4.487 3.960 -0.000 0.000 0.283 187 G HA3 0.528 4.487 3.960 -0.000 0.000 0.283 187 G C 0.863 175.777 174.900 0.023 0.000 1.309 187 G CA 0.142 45.252 45.100 0.016 0.000 1.022 187 G HN 0.291 nan 8.290 nan 0.000 0.501 188 K N -0.487 119.929 120.400 0.027 0.000 2.366 188 K HA 0.262 4.582 4.320 -0.000 0.000 0.198 188 K C 1.191 177.817 176.600 0.043 0.000 1.044 188 K CA 0.805 57.114 56.287 0.037 0.000 0.973 188 K CB -0.014 32.510 32.500 0.039 0.000 0.767 188 K HN 0.929 nan 8.250 nan 0.000 0.475 189 G N 0.814 109.635 108.800 0.034 0.000 2.525 189 G HA2 -0.203 3.756 3.960 -0.000 0.000 0.685 189 G HA3 -0.203 3.756 3.960 -0.000 0.000 0.685 189 G C -0.391 174.518 174.900 0.015 0.000 1.290 189 G CA -0.485 44.631 45.100 0.027 0.000 0.915 189 G HN 0.203 nan 8.290 nan 0.000 0.548 190 S N -0.890 114.808 115.700 -0.002 0.000 2.596 190 S HA 0.470 4.940 4.470 -0.000 0.000 0.260 190 S C 1.851 176.423 174.600 -0.047 0.000 1.336 190 S CA 0.217 58.406 58.200 -0.019 0.000 0.993 190 S CB 0.828 64.006 63.200 -0.036 0.000 0.923 190 S HN 0.972 nan 8.310 nan 0.000 0.567 191 I N 1.105 121.637 120.570 -0.063 0.000 2.151 191 I HA -0.227 3.943 4.170 -0.000 0.000 0.243 191 I C 2.722 178.746 176.117 -0.155 0.000 1.080 191 I CA 1.860 63.094 61.300 -0.110 0.000 1.339 191 I CB -0.980 36.927 38.000 -0.156 0.000 1.039 191 I HN 0.766 nan 8.210 nan 0.000 0.409 192 T N -0.082 114.336 114.554 -0.225 0.000 2.746 192 T HA -0.189 4.160 4.350 -0.000 0.000 0.267 192 T C 1.727 176.282 174.700 -0.242 0.000 1.039 192 T CA 1.415 63.309 62.100 -0.343 0.000 1.142 192 T CB -0.293 68.229 68.868 -0.576 0.000 0.866 192 T HN 0.425 nan 8.240 nan 0.000 0.444 193 E N 1.033 121.138 120.200 -0.157 0.000 2.110 193 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 193 E C 2.477 179.056 176.600 -0.034 0.000 0.988 193 E CA 0.884 57.237 56.400 -0.079 0.000 0.804 193 E CB -0.109 29.574 29.700 -0.027 0.000 0.745 193 E HN 0.559 nan 8.360 nan 0.000 0.458 194 Q N 0.344 120.129 119.800 -0.026 0.000 2.230 194 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 194 Q C 2.323 178.328 176.000 0.008 0.000 0.963 194 Q CA 0.489 56.299 55.803 0.012 0.000 0.866 194 Q CB 0.020 28.772 28.738 0.024 0.000 0.931 194 Q HN 0.319 nan 8.270 nan 0.000 0.452 195 L N 0.399 121.602 121.223 -0.034 0.000 2.056 195 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 195 L C 1.976 178.859 176.870 0.022 0.000 1.078 195 L CA 0.999 55.832 54.840 -0.012 0.000 0.749 195 L CB -0.054 41.981 42.059 -0.041 0.000 0.901 195 L HN 0.216 nan 8.230 nan 0.000 0.433 196 L N 0.015 121.224 121.223 -0.023 0.000 2.131 196 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 196 L C 2.249 179.189 176.870 0.116 0.000 1.092 196 L CA 0.809 55.640 54.840 -0.014 0.000 0.759 196 L CB -0.754 41.228 42.059 -0.127 0.000 0.903 196 L HN 0.401 nan 8.230 nan 0.000 0.435 197 N N 0.431 119.178 118.700 0.077 0.000 2.171 197 N HA -0.094 4.645 4.740 -0.000 0.000 0.184 197 N C 1.957 177.531 175.510 0.107 0.000 1.021 197 N CA 1.411 54.520 53.050 0.099 0.000 0.854 197 N CB -0.258 38.284 38.487 0.092 0.000 0.994 197 N HN 0.254 nan 8.380 nan 0.000 0.426 198 A N 0.940 123.821 122.820 0.101 0.000 1.978 198 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 198 A C 1.066 178.715 177.584 0.108 0.000 1.170 198 A CA 0.918 53.014 52.037 0.097 0.000 0.636 198 A CB -0.547 18.504 19.000 0.085 0.000 0.810 198 A HN 0.415 nan 8.150 nan 0.000 0.448 199 R N -1.839 118.760 120.500 0.165 0.000 3.264 199 R HA -0.182 4.158 4.340 -0.000 0.000 0.251 199 R C 0.257 176.610 176.300 0.087 0.000 0.971 199 R CA 0.099 56.286 56.100 0.145 0.000 0.658 199 R CB -1.988 28.329 30.300 0.028 0.000 1.095 199 R HN 0.850 nan 8.270 nan 0.000 0.443 200 A N 0.389 123.285 122.820 0.127 0.000 2.386 200 A HA 0.070 4.389 4.320 -0.000 0.000 0.246 200 A C 1.121 178.743 177.584 0.064 0.000 1.089 200 A CA 0.217 52.312 52.037 0.097 0.000 0.790 200 A CB 0.247 19.316 19.000 0.116 0.000 1.042 200 A HN 0.530 nan 8.150 nan 0.000 0.497 201 D N -0.793 119.631 120.400 0.040 0.000 2.117 201 D HA -0.013 4.627 4.640 -0.000 0.000 0.198 201 D C -0.017 176.285 176.300 0.004 0.000 0.982 201 D CA 1.566 55.567 54.000 0.001 0.000 0.828 201 D CB 0.033 40.829 40.800 -0.007 0.000 0.967 201 D HN 0.182 nan 8.370 nan 0.000 0.464 202 V N 0.835 120.758 119.914 0.016 0.000 2.525 202 V HA 0.261 4.381 4.120 -0.000 0.000 0.299 202 V C -0.546 175.565 176.094 0.028 0.000 1.034 202 V CA -0.472 61.832 62.300 0.007 0.000 0.863 202 V CB 2.214 34.011 31.823 -0.042 0.000 0.999 202 V HN -0.094 nan 8.190 nan 0.000 0.423 203 T N 6.757 121.332 114.554 0.035 0.000 2.906 203 T HA 0.705 5.055 4.350 -0.000 0.000 0.302 203 T C -0.742 173.955 174.700 -0.005 0.000 1.002 203 T CA -0.320 61.796 62.100 0.026 0.000 0.988 203 T CB 0.805 69.696 68.868 0.038 0.000 0.972 203 T HN 0.375 nan 8.240 nan 0.000 0.447 204 L N 2.557 123.796 121.223 0.026 0.000 2.410 204 L HA 0.911 5.251 4.340 -0.000 0.000 0.270 204 L C 0.509 177.437 176.870 0.098 0.000 0.983 204 L CA -0.654 54.234 54.840 0.081 0.000 0.822 204 L CB 2.123 44.305 42.059 0.204 0.000 1.285 204 L HN 0.892 nan 8.230 nan 0.000 0.409 205 G N 1.213 110.067 108.800 0.090 0.000 2.392 205 G HA2 0.495 4.454 3.960 -0.000 0.000 0.260 205 G HA3 0.495 4.454 3.960 -0.000 0.000 0.260 205 G C -0.984 173.953 174.900 0.061 0.000 1.226 205 G CA 0.073 45.237 45.100 0.106 0.000 0.913 205 G HN 0.797 nan 8.290 nan 0.000 0.483 206 G N -2.124 106.708 108.800 0.052 0.000 2.828 206 G HA2 0.634 4.593 3.960 -0.000 0.000 0.244 206 G HA3 0.634 4.593 3.960 -0.000 0.000 0.244 206 G C 0.969 175.890 174.900 0.035 0.000 1.365 206 G CA 0.430 45.555 45.100 0.040 0.000 1.041 206 G HN 2.343 nan 8.290 nan 0.000 0.560 207 G N -1.916 106.922 108.800 0.064 0.000 2.204 207 G HA2 0.161 4.121 3.960 -0.000 0.000 0.244 207 G HA3 0.161 4.121 3.960 -0.000 0.000 0.244 207 G C 1.035 176.048 174.900 0.189 0.000 1.062 207 G CA 0.943 46.107 45.100 0.106 0.000 0.798 207 G HN 1.582 nan 8.290 nan 0.000 0.496 208 A N -0.128 122.758 122.820 0.109 0.000 2.015 208 A HA 0.118 4.438 4.320 -0.000 0.000 0.219 208 A C 2.179 179.873 177.584 0.182 0.000 1.163 208 A CA 2.270 54.374 52.037 0.111 0.000 0.646 208 A CB -0.284 18.700 19.000 -0.027 0.000 0.806 208 A HN 0.684 nan 8.150 nan 0.000 0.448 209 K N -0.442 120.032 120.400 0.125 0.000 2.034 209 K HA -0.207 4.113 4.320 -0.000 0.000 0.214 209 K C 1.774 178.433 176.600 0.098 0.000 1.051 209 K CA 2.116 58.462 56.287 0.099 0.000 0.931 209 K CB -0.445 32.103 32.500 0.080 0.000 0.715 209 K HN 0.417 nan 8.250 nan 0.000 0.446 210 T N 0.558 115.167 114.554 0.091 0.000 2.962 210 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 210 T C 1.225 175.872 174.700 -0.088 0.000 1.088 210 T CA 0.905 62.998 62.100 -0.011 0.000 1.127 210 T CB -0.233 68.594 68.868 -0.068 0.000 0.883 210 T HN 0.187 nan 8.240 nan 0.000 0.493 211 F N 1.347 121.271 119.950 -0.043 0.000 2.641 211 F HA 0.146 4.673 4.527 -0.000 0.000 0.298 211 F C 2.221 177.993 175.800 -0.047 0.000 1.146 211 F CA 0.161 58.121 58.000 -0.067 0.000 1.464 211 F CB -0.313 38.626 39.000 -0.102 0.000 1.101 211 F HN 0.149 nan 8.300 nan 0.000 0.585 212 A N -0.863 122.016 122.820 0.098 0.000 2.218 212 A HA 0.063 4.383 4.320 -0.000 0.000 0.209 212 A C 0.918 178.519 177.584 0.029 0.000 1.168 212 A CA -0.076 51.996 52.037 0.059 0.000 0.804 212 A CB -0.394 18.635 19.000 0.049 0.000 0.834 212 A HN 0.252 nan 8.150 nan 0.000 0.482 213 E N 0.855 121.058 120.200 0.005 0.000 2.374 213 E HA 0.337 4.687 4.350 -0.000 0.000 0.260 213 E C -0.148 176.454 176.600 0.003 0.000 1.101 213 E CA 0.060 56.458 56.400 -0.004 0.000 0.907 213 E CB 0.617 30.304 29.700 -0.022 0.000 1.014 213 E HN 0.393 nan 8.360 nan 0.000 0.427 214 T N -1.762 112.799 114.554 0.012 0.000 2.902 214 T HA 0.582 4.932 4.350 -0.000 0.000 0.283 214 T C 0.048 174.765 174.700 0.029 0.000 1.009 214 T CA -1.095 61.021 62.100 0.027 0.000 1.051 214 T CB 1.562 70.449 68.868 0.031 0.000 0.999 214 T HN 0.505 nan 8.240 nan 0.000 0.474 215 A N 1.908 124.760 122.820 0.053 0.000 2.407 215 A HA 0.486 4.806 4.320 -0.000 0.000 0.248 215 A C 1.496 179.109 177.584 0.048 0.000 1.082 215 A CA -0.099 51.974 52.037 0.061 0.000 0.785 215 A CB -0.087 18.984 19.000 0.118 0.000 1.020 215 A HN 1.142 nan 8.150 nan 0.000 0.489 216 T N -1.527 113.049 114.554 0.037 0.000 3.060 216 T HA 0.551 4.901 4.350 -0.000 0.000 0.249 216 T C 0.477 175.191 174.700 0.023 0.000 1.079 216 T CA 0.743 62.858 62.100 0.025 0.000 1.013 216 T CB -0.264 68.614 68.868 0.017 0.000 0.975 216 T HN 1.787 nan 8.240 nan 0.000 0.518 217 A N -0.543 122.297 122.820 0.034 0.000 2.506 217 A HA 0.815 5.135 4.320 -0.000 0.000 0.305 217 A C 0.389 177.988 177.584 0.025 0.000 1.166 217 A CA -0.212 51.837 52.037 0.019 0.000 0.638 217 A CB 0.466 19.473 19.000 0.013 0.000 1.336 217 A HN 1.485 nan 8.150 nan 0.000 0.493 218 G N -0.651 108.139 108.800 -0.016 0.000 2.741 218 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.222 218 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.222 218 G C 0.582 175.370 174.900 -0.186 0.000 1.364 218 G CA 0.990 46.051 45.100 -0.065 0.000 0.866 218 G HN 1.491 nan 8.290 nan 0.000 0.555 219 E N -0.862 119.070 120.200 -0.447 0.000 2.209 219 E HA -0.084 4.266 4.350 -0.000 0.000 0.196 219 E C 1.190 177.283 176.600 -0.846 0.000 0.993 219 E CA 1.742 57.632 56.400 -0.849 0.000 0.819 219 E CB -0.082 28.730 29.700 -1.479 0.000 0.745 219 E HN 0.538 nan 8.360 nan 0.000 0.477 220 W N 1.745 123.053 121.300 0.015 0.000 2.926 220 W HA 0.195 4.855 4.660 -0.000 0.000 0.419 220 W C 0.180 176.705 176.519 0.010 0.000 0.993 220 W CA -0.706 56.648 57.345 0.015 0.000 2.025 220 W CB -0.577 28.897 29.460 0.022 0.000 1.152 220 W HN 0.133 nan 8.180 nan 0.000 0.659 221 Q N 0.561 120.416 119.800 0.093 0.000 2.333 221 Q HA 0.212 4.552 4.340 -0.000 0.000 0.299 221 Q C 1.486 177.528 176.000 0.070 0.000 1.067 221 Q CA 2.285 58.128 55.803 0.068 0.000 0.943 221 Q CB 0.550 29.297 28.738 0.014 0.000 1.233 221 Q HN 0.436 nan 8.270 nan 0.000 0.401 222 G N 2.814 111.652 108.800 0.063 0.000 2.234 222 G HA2 -0.335 3.624 3.960 -0.000 0.000 0.260 222 G HA3 -0.335 3.624 3.960 -0.000 0.000 0.260 222 G C -0.179 174.760 174.900 0.065 0.000 0.987 222 G CA 0.683 45.814 45.100 0.052 0.000 0.625 222 G HN 0.778 nan 8.290 nan 0.000 0.532 223 K N 0.862 121.321 120.400 0.098 0.000 2.106 223 K HA 0.651 4.971 4.320 -0.000 0.000 0.246 223 K C 0.503 177.151 176.600 0.079 0.000 0.987 223 K CA 0.011 56.356 56.287 0.097 0.000 0.904 223 K CB 1.082 33.658 32.500 0.126 0.000 1.071 223 K HN 0.399 nan 8.250 nan 0.000 0.453 224 T N -1.097 113.492 114.554 0.059 0.000 2.868 224 T HA 0.160 4.510 4.350 -0.000 0.000 0.292 224 T C 1.546 176.272 174.700 0.043 0.000 1.028 224 T CA -0.792 61.336 62.100 0.046 0.000 1.059 224 T CB 0.371 69.265 68.868 0.045 0.000 0.991 224 T HN 0.590 nan 8.240 nan 0.000 0.531 225 L N 0.048 121.289 121.223 0.031 0.000 2.191 225 L HA -0.042 4.297 4.340 -0.000 0.000 0.212 225 L C 3.097 180.035 176.870 0.113 0.000 1.103 225 L CA 1.222 56.075 54.840 0.021 0.000 0.769 225 L CB -0.647 41.349 42.059 -0.104 0.000 0.908 225 L HN 0.758 nan 8.230 nan 0.000 0.438 226 R N 0.743 121.327 120.500 0.141 0.000 2.073 226 R HA -0.142 4.198 4.340 -0.000 0.000 0.229 226 R C 2.129 178.419 176.300 -0.016 0.000 1.120 226 R CA 1.356 57.491 56.100 0.057 0.000 0.967 226 R CB 0.008 30.324 30.300 0.027 0.000 0.862 226 R HN 0.469 nan 8.270 nan 0.000 0.436 227 E N 0.316 120.517 120.200 0.003 0.000 2.110 227 E HA -0.282 4.068 4.350 -0.000 0.000 0.193 227 E C 2.015 178.585 176.600 -0.050 0.000 0.988 227 E CA 1.189 57.587 56.400 -0.003 0.000 0.804 227 E CB -0.205 29.516 29.700 0.034 0.000 0.745 227 E HN 0.485 nan 8.360 nan 0.000 0.458 228 Q N 1.227 120.969 119.800 -0.097 0.000 2.084 228 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 228 Q C 2.212 178.007 176.000 -0.341 0.000 0.978 228 Q CA 1.547 57.143 55.803 -0.346 0.000 0.844 228 Q CB -0.172 28.325 28.738 -0.401 0.000 0.898 228 Q HN 0.257 nan 8.270 nan 0.000 0.426 229 A N 0.571 123.272 122.820 -0.198 0.000 1.902 229 A HA -0.254 4.065 4.320 -0.000 0.000 0.217 229 A C 1.972 179.553 177.584 -0.004 0.000 1.181 229 A CA 1.694 53.636 52.037 -0.158 0.000 0.623 229 A CB -0.603 18.224 19.000 -0.287 0.000 0.818 229 A HN 0.567 nan 8.150 nan 0.000 0.443 230 Q N -0.771 119.004 119.800 -0.042 0.000 2.050 230 Q HA -0.097 4.243 4.340 -0.000 0.000 0.202 230 Q C 2.414 178.415 176.000 0.002 0.000 0.980 230 Q CA 1.545 57.344 55.803 -0.007 0.000 0.840 230 Q CB -0.398 28.331 28.738 -0.016 0.000 0.898 230 Q HN 0.688 nan 8.270 nan 0.000 0.424 231 A N 1.012 123.816 122.820 -0.025 0.000 1.978 231 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 231 A C 1.755 179.347 177.584 0.012 0.000 1.170 231 A CA 1.351 53.398 52.037 0.018 0.000 0.636 231 A CB -0.341 18.679 19.000 0.033 0.000 0.810 231 A HN 0.230 nan 8.150 nan 0.000 0.448 232 R N -1.349 119.113 120.500 -0.063 0.000 2.313 232 R HA 0.235 4.575 4.340 -0.000 0.000 0.199 232 R C 1.149 177.438 176.300 -0.019 0.000 0.958 232 R CA 0.499 56.581 56.100 -0.031 0.000 1.047 232 R CB -0.097 30.134 30.300 -0.115 0.000 0.955 232 R HN 0.686 nan 8.270 nan 0.000 0.481 233 G N -0.011 108.788 108.800 -0.002 0.000 2.141 233 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.231 233 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.231 233 G C -0.273 174.571 174.900 -0.094 0.000 0.984 233 G CA -0.456 44.612 45.100 -0.054 0.000 0.660 233 G HN 0.282 nan 8.290 nan 0.000 0.525 234 Y N 1.413 121.666 120.300 -0.078 0.000 2.346 234 Y HA 0.434 4.983 4.550 -0.000 0.000 0.330 234 Y C 1.339 177.190 175.900 -0.082 0.000 1.178 234 Y CA 0.110 58.161 58.100 -0.083 0.000 1.331 234 Y CB 0.694 39.089 38.460 -0.108 0.000 1.253 234 Y HN 0.320 nan 8.280 nan 0.000 0.529 235 Q N 3.862 123.699 119.800 0.061 0.000 2.294 235 Q HA 0.381 4.720 4.340 -0.000 0.000 0.257 235 Q C -1.273 174.724 176.000 -0.005 0.000 0.955 235 Q CA -0.397 55.414 55.803 0.014 0.000 0.936 235 Q CB 0.985 29.719 28.738 -0.007 0.000 1.188 235 Q HN 0.514 nan 8.270 nan 0.000 0.420 236 L N 3.508 124.704 121.223 -0.044 0.000 2.275 236 L HA 0.467 4.807 4.340 -0.000 0.000 0.288 236 L C -0.291 176.516 176.870 -0.106 0.000 1.046 236 L CA -0.763 54.008 54.840 -0.116 0.000 0.805 236 L CB 1.381 43.351 42.059 -0.148 0.000 1.193 236 L HN 0.483 nan 8.230 nan 0.000 0.426 237 V N 0.288 120.112 119.914 -0.150 0.000 2.823 237 V HA 0.822 4.942 4.120 -0.000 0.000 0.312 237 V C 0.107 176.077 176.094 -0.206 0.000 1.072 237 V CA -0.006 62.236 62.300 -0.095 0.000 0.937 237 V CB 1.985 33.825 31.823 0.027 0.000 1.013 237 V HN 0.772 nan 8.190 nan 0.000 0.430 238 S N -0.006 115.682 115.700 -0.021 0.000 3.067 238 S HA 0.380 4.850 4.470 -0.000 0.000 0.253 238 S C -0.435 174.351 174.600 0.309 0.000 0.942 238 S CA 0.205 58.390 58.200 -0.024 0.000 1.197 238 S CB -0.465 62.685 63.200 -0.082 0.000 1.143 238 S HN 1.361 nan 8.310 nan 0.000 0.638 239 D N -0.423 120.217 120.400 0.400 0.000 2.622 239 D HA 0.670 5.310 4.640 -0.000 0.000 0.255 239 D C 0.958 177.307 176.300 0.081 0.000 1.246 239 D CA -0.247 53.890 54.000 0.228 0.000 0.795 239 D CB 0.947 41.808 40.800 0.102 0.000 1.369 239 D HN 0.033 nan 8.370 nan 0.000 0.425 240 A N 0.696 123.462 122.820 -0.090 0.000 1.948 240 A HA 0.040 4.359 4.320 -0.000 0.000 0.220 240 A C 2.092 179.644 177.584 -0.054 0.000 1.177 240 A CA 2.931 54.882 52.037 -0.143 0.000 0.636 240 A CB -1.216 17.699 19.000 -0.142 0.000 0.815 240 A HN 0.822 nan 8.150 nan 0.000 0.449 241 A N -0.280 122.531 122.820 -0.015 0.000 1.855 241 A HA -0.027 4.292 4.320 -0.000 0.000 0.215 241 A C 2.437 180.028 177.584 0.012 0.000 1.191 241 A CA 2.005 54.039 52.037 -0.004 0.000 0.613 241 A CB -0.972 18.028 19.000 0.001 0.000 0.829 241 A HN 0.604 nan 8.150 nan 0.000 0.442 242 S N 0.066 115.787 115.700 0.036 0.000 2.383 242 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 242 S C 1.814 176.446 174.600 0.055 0.000 1.030 242 S CA 1.489 59.715 58.200 0.043 0.000 1.002 242 S CB -0.554 62.680 63.200 0.057 0.000 0.829 242 S HN 0.468 nan 8.310 nan 0.000 0.467 243 L N 2.724 124.000 121.223 0.087 0.000 2.056 243 L HA 0.009 4.348 4.340 -0.000 0.000 0.207 243 L C 1.709 178.590 176.870 0.019 0.000 1.078 243 L CA 1.652 56.542 54.840 0.084 0.000 0.749 243 L CB -0.869 41.248 42.059 0.096 0.000 0.901 243 L HN 0.100 nan 8.230 nan 0.000 0.433 244 N N -0.430 118.266 118.700 -0.006 0.000 2.223 244 N HA -0.129 4.611 4.740 -0.000 0.000 0.185 244 N C 1.717 177.220 175.510 -0.011 0.000 1.016 244 N CA 1.450 54.489 53.050 -0.019 0.000 0.863 244 N CB -0.324 38.146 38.487 -0.029 0.000 0.983 244 N HN 0.383 nan 8.380 nan 0.000 0.429 245 S N 0.205 115.903 115.700 -0.003 0.000 2.547 245 S HA 0.019 4.489 4.470 -0.000 0.000 0.235 245 S C 0.849 175.447 174.600 -0.004 0.000 0.980 245 S CA 0.051 58.249 58.200 -0.003 0.000 0.941 245 S CB 0.143 63.344 63.200 0.001 0.000 0.763 245 S HN 0.010 nan 8.310 nan 0.000 0.532 246 V N 3.242 123.154 119.914 -0.003 0.000 2.488 246 V HA 0.149 4.268 4.120 -0.000 0.000 0.277 246 V C 1.473 177.557 176.094 -0.016 0.000 1.046 246 V CA 0.414 62.710 62.300 -0.008 0.000 0.986 246 V CB 1.031 32.851 31.823 -0.004 0.000 0.989 246 V HN 0.533 nan 8.190 nan 0.000 0.475 247 T N 0.789 115.333 114.554 -0.016 0.000 3.023 247 T HA 0.329 4.679 4.350 -0.000 0.000 0.253 247 T C 0.342 175.029 174.700 -0.022 0.000 1.038 247 T CA 0.004 62.093 62.100 -0.018 0.000 0.962 247 T CB 0.308 69.168 68.868 -0.012 0.000 1.018 247 T HN 0.612 nan 8.240 nan 0.000 0.521 248 E N -0.139 120.047 120.200 -0.025 0.000 2.390 248 E HA 0.659 5.009 4.350 -0.000 0.000 0.277 248 E C -1.955 174.625 176.600 -0.035 0.000 0.939 248 E CA -1.110 55.273 56.400 -0.029 0.000 0.769 248 E CB 2.473 32.159 29.700 -0.023 0.000 1.251 248 E HN 0.305 nan 8.360 nan 0.000 0.450 249 A N 2.726 125.522 122.820 -0.041 0.000 2.513 249 A HA 0.544 4.864 4.320 -0.000 0.000 0.285 249 A C -1.398 176.158 177.584 -0.047 0.000 1.047 249 A CA -0.804 51.205 52.037 -0.047 0.000 0.864 249 A CB 0.403 19.376 19.000 -0.046 0.000 1.373 249 A HN 0.662 nan 8.150 nan 0.000 0.403 250 N N 0.705 119.373 118.700 -0.053 0.000 3.243 250 N HA 0.364 5.104 4.740 -0.000 0.000 0.280 250 N C 0.375 175.842 175.510 -0.071 0.000 1.545 250 N CA -0.741 52.282 53.050 -0.046 0.000 0.854 250 N CB 0.359 38.827 38.487 -0.033 0.000 1.612 250 N HN 0.112 nan 8.380 nan 0.000 0.577 251 Q N -0.480 119.286 119.800 -0.057 0.000 2.234 251 Q HA -0.117 4.223 4.340 -0.000 0.000 0.206 251 Q C 1.030 176.969 176.000 -0.101 0.000 0.980 251 Q CA 1.815 57.572 55.803 -0.077 0.000 0.869 251 Q CB -0.348 28.366 28.738 -0.041 0.000 0.912 251 Q HN 0.638 nan 8.270 nan 0.000 0.436 252 Q N 0.304 120.058 119.800 -0.076 0.000 2.062 252 Q HA 0.008 4.348 4.340 -0.000 0.000 0.196 252 Q C 0.288 176.226 176.000 -0.103 0.000 0.967 252 Q CA 1.118 56.876 55.803 -0.074 0.000 0.832 252 Q CB 0.207 28.918 28.738 -0.045 0.000 0.899 252 Q HN 0.039 nan 8.270 nan 0.000 0.442 253 K N 1.089 121.429 120.400 -0.101 0.000 2.624 253 K HA 0.306 4.625 4.320 -0.000 0.000 0.200 253 K C -2.660 173.864 176.600 -0.126 0.000 1.036 253 K CA -1.813 54.410 56.287 -0.107 0.000 1.029 253 K CB 1.655 34.117 32.500 -0.063 0.000 1.317 253 K HN 0.025 nan 8.250 nan 0.000 0.555 254 P HA 0.045 nan 4.420 nan 0.000 0.279 254 P C -0.817 176.446 177.300 -0.062 0.000 1.239 254 P CA -0.709 62.269 63.100 -0.203 0.000 0.789 254 P CB 0.840 32.253 31.700 -0.479 0.000 0.933 255 L N 4.568 125.796 121.223 0.008 0.000 2.292 255 L HA 0.446 4.786 4.340 -0.000 0.000 0.284 255 L C -0.797 176.122 176.870 0.083 0.000 1.065 255 L CA -0.460 54.403 54.840 0.038 0.000 0.806 255 L CB 0.375 42.436 42.059 0.005 0.000 1.175 255 L HN 0.190 nan 8.230 nan 0.000 0.431 256 L N 5.466 126.709 121.223 0.033 0.000 2.401 256 L HA 0.712 5.051 4.340 -0.000 0.000 0.263 256 L C -0.135 176.581 176.870 -0.257 0.000 1.004 256 L CA 0.005 54.781 54.840 -0.105 0.000 0.881 256 L CB 1.170 43.105 42.059 -0.206 0.000 1.219 256 L HN 0.677 nan 8.230 nan 0.000 0.441 257 G N 5.567 114.182 108.800 -0.309 0.000 2.319 257 G HA2 0.577 4.537 3.960 -0.000 0.000 0.308 257 G HA3 0.577 4.537 3.960 -0.000 0.000 0.308 257 G C -1.037 173.272 174.900 -0.986 0.000 1.117 257 G CA -0.408 44.284 45.100 -0.681 0.000 0.903 257 G HN 0.507 nan 8.290 nan 0.000 0.436 258 L N 2.958 123.539 121.223 -1.070 0.000 2.366 258 L HA 0.335 4.675 4.340 -0.000 0.000 0.266 258 L C -0.228 176.255 176.870 -0.646 0.000 1.010 258 L CA -0.656 53.756 54.840 -0.714 0.000 0.879 258 L CB 1.184 42.936 42.059 -0.510 0.000 1.228 258 L HN 0.540 nan 8.230 nan 0.000 0.439 259 F N 1.418 121.334 119.950 -0.057 0.000 2.727 259 F HA 0.502 5.029 4.527 -0.000 0.000 0.302 259 F C 1.087 176.873 175.800 -0.023 0.000 1.097 259 F CA -0.314 57.662 58.000 -0.039 0.000 1.330 259 F CB 0.302 39.281 39.000 -0.035 0.000 1.084 259 F HN 0.437 nan 8.300 nan 0.000 0.578 260 A N -0.718 122.154 122.820 0.087 0.000 2.610 260 A HA 0.485 4.805 4.320 -0.000 0.000 0.291 260 A C -0.239 177.368 177.584 0.038 0.000 1.086 260 A CA -0.542 51.536 52.037 0.068 0.000 0.677 260 A CB 0.400 19.450 19.000 0.082 0.000 1.278 260 A HN -0.039 nan 8.150 nan 0.000 0.414 261 D N -0.327 120.099 120.400 0.043 0.000 2.183 261 D HA 0.271 4.911 4.640 -0.000 0.000 0.205 261 D C 1.319 177.658 176.300 0.066 0.000 0.962 261 D CA 2.259 56.288 54.000 0.047 0.000 0.849 261 D CB 0.292 41.117 40.800 0.042 0.000 0.978 261 D HN 0.718 nan 8.370 nan 0.000 0.488 262 G N -0.965 107.874 108.800 0.065 0.000 3.341 262 G HA2 0.187 4.147 3.960 -0.000 0.000 0.177 262 G HA3 0.187 4.147 3.960 -0.000 0.000 0.177 262 G C -0.145 174.799 174.900 0.074 0.000 1.236 262 G CA -0.475 44.671 45.100 0.077 0.000 0.888 262 G HN -0.026 nan 8.290 nan 0.000 0.644 263 N N 0.495 119.238 118.700 0.071 0.000 2.503 263 N HA 0.247 4.986 4.740 -0.000 0.000 0.267 263 N C 0.141 175.687 175.510 0.060 0.000 1.214 263 N CA -0.003 53.087 53.050 0.066 0.000 0.959 263 N CB 1.034 39.560 38.487 0.064 0.000 1.142 263 N HN 0.276 nan 8.380 nan 0.000 0.455 264 M N 1.749 121.385 119.600 0.060 0.000 2.245 264 M HA 0.149 4.629 4.480 -0.000 0.000 0.330 264 M C -1.775 174.546 176.300 0.035 0.000 1.098 264 M CA -1.108 54.224 55.300 0.055 0.000 1.172 264 M CB 0.056 32.689 32.600 0.055 0.000 1.467 264 M HN 0.277 nan 8.290 nan 0.000 0.454 265 P HA 0.108 nan 4.420 nan 0.000 0.269 265 P C -0.781 176.527 177.300 0.015 0.000 1.209 265 P CA -0.422 62.694 63.100 0.027 0.000 0.776 265 P CB 0.130 31.847 31.700 0.028 0.000 0.876 266 V N 0.718 120.643 119.914 0.019 0.000 2.953 266 V HA 0.291 4.410 4.120 -0.000 0.000 0.304 266 V C 1.832 177.941 176.094 0.024 0.000 1.073 266 V CA -0.449 61.854 62.300 0.005 0.000 1.064 266 V CB 0.748 32.578 31.823 0.011 0.000 1.047 266 V HN 0.555 nan 8.190 nan 0.000 0.478 267 R N 1.132 121.624 120.500 -0.013 0.000 2.073 267 R HA 0.036 4.376 4.340 -0.000 0.000 0.229 267 R C -0.246 176.227 176.300 0.289 0.000 1.120 267 R CA 1.038 57.148 56.100 0.018 0.000 0.967 267 R CB 0.163 30.336 30.300 -0.212 0.000 0.862 267 R HN 0.739 nan 8.270 nan 0.000 0.436 268 W N 0.301 121.595 121.300 -0.009 0.000 2.844 268 W HA 0.460 5.120 4.660 -0.001 0.000 0.340 268 W C -0.861 175.649 176.519 -0.015 0.000 1.093 268 W CA -0.961 56.378 57.345 -0.010 0.000 1.212 268 W CB 0.781 30.229 29.460 -0.021 0.000 1.422 268 W HN -0.118 nan 8.180 nan 0.000 0.515 269 L N 2.077 123.414 121.223 0.189 0.000 2.331 269 L HA 1.012 5.352 4.340 -0.000 0.000 0.275 269 L C 0.620 177.525 176.870 0.058 0.000 1.022 269 L CA -0.697 54.202 54.840 0.097 0.000 0.812 269 L CB 1.681 43.774 42.059 0.057 0.000 1.257 269 L HN 0.523 nan 8.230 nan 0.000 0.435 270 G N 1.273 110.099 108.800 0.043 0.000 2.547 270 G HA2 0.563 4.522 3.960 -0.000 0.000 0.291 270 G HA3 0.563 4.522 3.960 -0.000 0.000 0.291 270 G C -3.221 171.691 174.900 0.020 0.000 1.471 270 G CA -0.719 44.396 45.100 0.024 0.000 0.798 270 G HN 0.272 nan 8.290 nan 0.000 0.504 271 P HA 0.338 nan 4.420 nan 0.000 0.274 271 P C -0.288 177.017 177.300 0.008 0.000 1.237 271 P CA -0.535 62.574 63.100 0.014 0.000 0.793 271 P CB 0.857 32.568 31.700 0.018 0.000 0.977 272 K N 1.188 121.587 120.400 -0.002 0.000 2.295 272 K HA 0.448 4.768 4.320 -0.000 0.000 0.270 272 K C -0.053 176.545 176.600 -0.003 0.000 1.011 272 K CA -0.495 55.777 56.287 -0.024 0.000 0.953 272 K CB 0.187 32.672 32.500 -0.025 0.000 0.956 272 K HN 0.535 nan 8.250 nan 0.000 0.477 273 A N 2.429 125.241 122.820 -0.014 0.000 2.425 273 A HA 0.303 4.623 4.320 -0.000 0.000 0.242 273 A C -0.105 177.511 177.584 0.055 0.000 1.077 273 A CA 0.211 52.278 52.037 0.049 0.000 0.781 273 A CB 0.115 19.182 19.000 0.111 0.000 1.020 273 A HN 0.874 nan 8.150 nan 0.000 0.494 274 T N -1.652 112.955 114.554 0.088 0.000 2.841 274 T HA 0.482 4.832 4.350 -0.000 0.000 0.296 274 T C -0.535 174.256 174.700 0.150 0.000 1.166 274 T CA -0.538 61.626 62.100 0.107 0.000 1.007 274 T CB 0.597 69.518 68.868 0.089 0.000 1.253 274 T HN 0.643 nan 8.240 nan 0.000 0.511 275 Y N 1.863 122.183 120.300 0.034 0.000 2.721 275 Y HA 0.079 4.628 4.550 -0.000 0.000 0.329 275 Y C 1.407 177.359 175.900 0.086 0.000 1.211 275 Y CA 1.001 59.105 58.100 0.007 0.000 1.512 275 Y CB -0.501 37.900 38.460 -0.098 0.000 1.249 275 Y HN 0.986 nan 8.280 nan 0.000 0.549 276 H N 2.094 120.857 119.070 -0.512 0.000 2.822 276 H HA -0.237 4.318 4.556 -0.000 0.000 0.295 276 H C 1.520 176.761 175.328 -0.144 0.000 1.151 276 H CA -0.033 55.779 56.048 -0.393 0.000 1.151 276 H CB -1.090 28.379 29.762 -0.488 0.000 1.343 276 H HN 1.020 nan 8.280 nan 0.000 0.382 277 G N 1.253 110.084 108.800 0.051 0.000 2.462 277 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.220 277 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.220 277 G C 1.558 176.477 174.900 0.032 0.000 1.121 277 G CA 0.922 46.053 45.100 0.052 0.000 0.758 277 G HN 0.696 nan 8.290 nan 0.000 0.559 278 N N 0.133 118.842 118.700 0.015 0.000 2.461 278 N HA 0.092 4.831 4.740 -0.000 0.000 0.188 278 N C 1.481 176.976 175.510 -0.025 0.000 1.134 278 N CA 0.448 53.499 53.050 0.001 0.000 0.878 278 N CB 0.192 38.677 38.487 -0.003 0.000 0.972 278 N HN 0.419 nan 8.380 nan 0.000 0.456 279 I N 0.104 120.651 120.570 -0.038 0.000 4.033 279 I HA 0.022 4.192 4.170 -0.000 0.000 0.296 279 I C 0.761 176.866 176.117 -0.020 0.000 1.210 279 I CA 0.188 61.454 61.300 -0.057 0.000 1.341 279 I CB 0.344 38.258 38.000 -0.143 0.000 1.369 279 I HN -0.195 nan 8.210 nan 0.000 0.453 280 D N 1.334 121.739 120.400 0.008 0.000 2.355 280 D HA 0.054 4.694 4.640 -0.000 0.000 0.218 280 D C 0.382 176.698 176.300 0.026 0.000 1.004 280 D CA 0.712 54.729 54.000 0.028 0.000 0.880 280 D CB 0.197 41.032 40.800 0.057 0.000 0.911 280 D HN 0.197 nan 8.370 nan 0.000 0.528 281 K N 0.723 121.136 120.400 0.022 0.000 2.328 281 K HA 0.425 4.745 4.320 -0.000 0.000 0.246 281 K C -2.425 174.186 176.600 0.018 0.000 0.955 281 K CA -1.632 54.669 56.287 0.023 0.000 0.817 281 K CB 2.360 34.878 32.500 0.031 0.000 1.208 281 K HN -0.160 nan 8.250 nan 0.000 0.432 282 P HA 0.193 nan 4.420 nan 0.000 0.276 282 P C -1.025 176.288 177.300 0.022 0.000 1.252 282 P CA -0.611 62.498 63.100 0.016 0.000 0.802 282 P CB 0.890 32.597 31.700 0.013 0.000 1.035 283 A N 1.389 124.223 122.820 0.023 0.000 2.498 283 A HA 0.266 4.586 4.320 -0.000 0.000 0.239 283 A C 0.261 177.868 177.584 0.039 0.000 1.068 283 A CA -0.191 51.867 52.037 0.035 0.000 0.766 283 A CB -0.306 18.715 19.000 0.036 0.000 1.003 283 A HN 0.361 nan 8.150 nan 0.000 0.497 284 V N 2.146 122.092 119.914 0.054 0.000 2.539 284 V HA 0.455 4.575 4.120 -0.000 0.000 0.292 284 V C 0.501 176.643 176.094 0.079 0.000 1.045 284 V CA -0.183 62.147 62.300 0.051 0.000 0.945 284 V CB 1.679 33.528 31.823 0.043 0.000 0.993 284 V HN 0.928 nan 8.190 nan 0.000 0.464 285 T N 3.377 117.962 114.554 0.051 0.000 2.786 285 T HA 0.307 4.657 4.350 -0.000 0.000 0.283 285 T C -0.116 174.583 174.700 -0.002 0.000 0.992 285 T CA -0.297 61.844 62.100 0.068 0.000 0.954 285 T CB 0.752 69.630 68.868 0.017 0.000 0.934 285 T HN 0.763 nan 8.240 nan 0.000 0.440 286 c N 2.547 121.132 118.600 -0.025 0.000 2.689 286 c HA 0.605 5.175 4.570 -0.000 0.000 0.409 286 c C 1.263 175.163 174.090 -0.316 0.000 1.293 286 c CA -0.348 55.864 56.329 -0.195 0.000 2.136 286 c CB 0.123 42.404 42.510 -0.382 0.000 2.719 286 c HN 0.857 nan 8.230 nan 0.000 0.644 287 T N 2.403 116.793 114.554 -0.273 0.000 2.893 287 T HA 0.505 4.855 4.350 -0.000 0.000 0.293 287 T C -2.812 171.771 174.700 -0.194 0.000 1.027 287 T CA -1.088 60.866 62.100 -0.243 0.000 0.988 287 T CB 1.438 70.242 68.868 -0.107 0.000 1.043 287 T HN 0.402 nan 8.240 nan 0.000 0.461 288 P HA 0.151 nan 4.420 nan 0.000 0.268 288 P C -0.663 176.687 177.300 0.084 0.000 1.205 288 P CA -0.309 62.826 63.100 0.058 0.000 0.771 288 P CB 0.297 32.041 31.700 0.074 0.000 0.858 289 N N 4.306 123.094 118.700 0.147 0.000 2.420 289 N HA 0.074 4.813 4.740 -0.000 0.000 0.262 289 N C -1.638 173.911 175.510 0.065 0.000 1.144 289 N CA -1.985 51.123 53.050 0.096 0.000 0.952 289 N CB 0.050 38.600 38.487 0.105 0.000 1.081 289 N HN 0.167 nan 8.380 nan 0.000 0.480 290 P HA -0.117 nan 4.420 nan 0.000 0.219 290 P C 0.714 178.033 177.300 0.031 0.000 1.146 290 P CA 1.143 64.262 63.100 0.032 0.000 0.808 290 P CB 0.285 31.998 31.700 0.023 0.000 0.779 291 Q N -0.331 119.489 119.800 0.033 0.000 2.436 291 Q HA -0.097 4.243 4.340 -0.000 0.000 0.209 291 Q C 2.193 178.210 176.000 0.028 0.000 0.965 291 Q CA 0.590 56.411 55.803 0.029 0.000 0.910 291 Q CB -0.416 28.341 28.738 0.030 0.000 0.980 291 Q HN 0.476 nan 8.270 nan 0.000 0.491 292 R N 1.175 121.696 120.500 0.034 0.000 2.112 292 R HA -0.181 4.159 4.340 -0.000 0.000 0.242 292 R C 0.396 176.703 176.300 0.010 0.000 1.137 292 R CA 1.365 57.481 56.100 0.027 0.000 0.944 292 R CB -0.420 29.904 30.300 0.041 0.000 0.857 292 R HN 0.114 nan 8.270 nan 0.000 0.435 293 N N -0.864 117.842 118.700 0.010 0.000 5.219 293 N HA -0.140 4.600 4.740 -0.000 0.000 0.370 293 N C -0.927 174.574 175.510 -0.015 0.000 1.619 293 N CA 0.805 53.854 53.050 -0.001 0.000 2.632 293 N CB -0.631 37.857 38.487 0.001 0.000 0.520 293 N HN 0.389 nan 8.380 nan 0.000 0.698 294 D N -0.157 120.234 120.400 -0.015 0.000 2.355 294 D HA 0.099 4.739 4.640 -0.000 0.000 0.206 294 D C 1.533 177.811 176.300 -0.036 0.000 1.010 294 D CA 1.320 55.305 54.000 -0.024 0.000 0.875 294 D CB 0.114 40.906 40.800 -0.014 0.000 0.966 294 D HN 0.504 nan 8.370 nan 0.000 0.512 295 S N -0.743 114.942 115.700 -0.026 0.000 2.527 295 S HA 0.065 4.535 4.470 -0.000 0.000 0.222 295 S C 0.828 175.397 174.600 -0.050 0.000 0.985 295 S CA -0.231 57.955 58.200 -0.024 0.000 0.921 295 S CB 0.346 63.547 63.200 0.002 0.000 0.772 295 S HN -0.101 nan 8.310 nan 0.000 0.529 296 V N 4.938 124.812 119.914 -0.066 0.000 2.328 296 V HA 0.406 4.526 4.120 -0.000 0.000 0.278 296 V C -2.325 173.660 176.094 -0.182 0.000 1.021 296 V CA -2.225 60.008 62.300 -0.112 0.000 0.838 296 V CB 0.937 32.732 31.823 -0.047 0.000 0.999 296 V HN 0.228 nan 8.190 nan 0.000 0.447 297 P HA 0.208 nan 4.420 nan 0.000 0.271 297 P C 0.106 177.258 177.300 -0.246 0.000 1.218 297 P CA 0.059 62.960 63.100 -0.332 0.000 0.780 297 P CB 0.760 32.123 31.700 -0.562 0.000 0.901 298 T N -0.356 114.095 114.554 -0.171 0.000 2.824 298 T HA 0.155 4.505 4.350 -0.000 0.000 0.277 298 T C 1.231 175.853 174.700 -0.130 0.000 0.975 298 T CA -0.717 61.307 62.100 -0.128 0.000 0.966 298 T CB 0.306 69.117 68.868 -0.095 0.000 1.054 298 T HN 0.170 nan 8.240 nan 0.000 0.533 299 L N 1.058 122.216 121.223 -0.107 0.000 2.083 299 L HA 0.128 4.468 4.340 -0.000 0.000 0.209 299 L C 2.711 179.521 176.870 -0.100 0.000 1.083 299 L CA 2.242 57.023 54.840 -0.098 0.000 0.752 299 L CB -1.494 40.508 42.059 -0.096 0.000 0.899 299 L HN 0.920 nan 8.230 nan 0.000 0.433 300 A N -1.282 121.479 122.820 -0.098 0.000 1.969 300 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 300 A C 2.142 179.673 177.584 -0.089 0.000 1.169 300 A CA 1.618 53.602 52.037 -0.088 0.000 0.635 300 A CB -0.438 18.517 19.000 -0.077 0.000 0.810 300 A HN 0.661 nan 8.150 nan 0.000 0.445 301 Q N -0.896 118.843 119.800 -0.101 0.000 2.083 301 Q HA -0.053 4.287 4.340 -0.000 0.000 0.198 301 Q C 2.179 178.109 176.000 -0.117 0.000 0.969 301 Q CA 1.464 57.202 55.803 -0.108 0.000 0.838 301 Q CB -0.297 28.366 28.738 -0.126 0.000 0.900 301 Q HN 0.672 nan 8.270 nan 0.000 0.436 302 M N 0.189 119.711 119.600 -0.130 0.000 2.108 302 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 302 M C 2.130 178.374 176.300 -0.094 0.000 1.066 302 M CA 1.424 56.661 55.300 -0.105 0.000 1.107 302 M CB -0.405 32.147 32.600 -0.081 0.000 1.356 302 M HN 0.221 nan 8.290 nan 0.000 0.406 303 T N -0.115 114.379 114.554 -0.100 0.000 2.708 303 T HA -0.162 4.187 4.350 -0.000 0.000 0.266 303 T C 1.329 175.949 174.700 -0.133 0.000 1.037 303 T CA 1.610 63.642 62.100 -0.113 0.000 1.146 303 T CB -0.372 68.436 68.868 -0.101 0.000 0.865 303 T HN 0.317 nan 8.240 nan 0.000 0.435 304 D N 0.527 120.861 120.400 -0.111 0.000 2.097 304 D HA -0.068 4.572 4.640 -0.000 0.000 0.195 304 D C 2.195 178.420 176.300 -0.125 0.000 0.989 304 D CA 1.057 54.994 54.000 -0.106 0.000 0.827 304 D CB -0.155 40.602 40.800 -0.071 0.000 0.966 304 D HN 0.129 nan 8.370 nan 0.000 0.456 305 K N 0.369 120.702 120.400 -0.111 0.000 2.148 305 K HA 0.060 4.380 4.320 -0.000 0.000 0.204 305 K C 1.691 178.205 176.600 -0.144 0.000 1.050 305 K CA 1.234 57.457 56.287 -0.106 0.000 0.942 305 K CB -0.425 32.029 32.500 -0.076 0.000 0.724 305 K HN 0.058 nan 8.250 nan 0.000 0.446 306 A N 0.432 123.152 122.820 -0.167 0.000 1.898 306 A HA -0.044 4.276 4.320 -0.000 0.000 0.216 306 A C 2.201 179.557 177.584 -0.380 0.000 1.181 306 A CA 1.390 53.294 52.037 -0.222 0.000 0.620 306 A CB -0.556 18.329 19.000 -0.193 0.000 0.819 306 A HN 0.310 nan 8.150 nan 0.000 0.442 307 I N -0.445 119.874 120.570 -0.419 0.000 2.286 307 I HA -0.265 3.905 4.170 -0.000 0.000 0.248 307 I C 2.549 178.347 176.117 -0.532 0.000 1.115 307 I CA 1.721 62.628 61.300 -0.656 0.000 1.392 307 I CB -0.254 37.377 38.000 -0.614 0.000 1.065 307 I HN 0.561 nan 8.210 nan 0.000 0.418 308 E N 1.433 121.452 120.200 -0.301 0.000 2.023 308 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 308 E C 2.360 178.860 176.600 -0.167 0.000 1.003 308 E CA 1.507 57.805 56.400 -0.170 0.000 0.809 308 E CB -0.080 29.556 29.700 -0.107 0.000 0.755 308 E HN 0.436 nan 8.360 nan 0.000 0.449 309 L N 0.507 121.620 121.223 -0.184 0.000 2.017 309 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 309 L C 2.672 179.430 176.870 -0.186 0.000 1.073 309 L CA 0.887 55.636 54.840 -0.150 0.000 0.745 309 L CB -0.345 41.639 42.059 -0.126 0.000 0.894 309 L HN 0.248 nan 8.230 nan 0.000 0.432 310 L N -0.459 120.560 121.223 -0.341 0.000 2.291 310 L HA -0.099 4.241 4.340 -0.000 0.000 0.214 310 L C 2.704 179.384 176.870 -0.318 0.000 1.120 310 L CA 1.037 55.625 54.840 -0.420 0.000 0.799 310 L CB -0.399 41.150 42.059 -0.850 0.000 0.925 310 L HN 0.371 nan 8.230 nan 0.000 0.446 311 S N -0.845 114.671 115.700 -0.306 0.000 2.489 311 S HA -0.108 4.362 4.470 -0.000 0.000 0.228 311 S C 1.732 176.398 174.600 0.110 0.000 0.995 311 S CA 0.348 58.577 58.200 0.048 0.000 0.934 311 S CB -0.165 63.088 63.200 0.088 0.000 0.771 311 S HN 0.310 nan 8.310 nan 0.000 0.522 312 K N 1.861 122.278 120.400 0.028 0.000 2.442 312 K HA 0.096 4.415 4.320 -0.000 0.000 0.198 312 K C 0.709 177.345 176.600 0.059 0.000 1.042 312 K CA 0.394 56.705 56.287 0.041 0.000 0.958 312 K CB -0.170 32.334 32.500 0.006 0.000 0.766 312 K HN 0.367 nan 8.250 nan 0.000 0.474 313 N N 1.555 120.305 118.700 0.083 0.000 2.408 313 N HA -0.033 4.707 4.740 -0.000 0.000 0.257 313 N C 0.237 175.817 175.510 0.118 0.000 1.064 313 N CA 0.173 53.278 53.050 0.092 0.000 0.952 313 N CB 0.935 39.483 38.487 0.102 0.000 1.093 313 N HN 0.007 nan 8.380 nan 0.000 0.490 314 E N 3.493 123.743 120.200 0.084 0.000 2.204 314 E HA -0.165 4.184 4.350 -0.000 0.000 0.194 314 E C 0.977 177.619 176.600 0.071 0.000 0.989 314 E CA 1.049 57.494 56.400 0.076 0.000 0.824 314 E CB 0.146 29.878 29.700 0.054 0.000 0.756 314 E HN 0.600 nan 8.360 nan 0.000 0.477 315 K N 0.043 120.483 120.400 0.067 0.000 2.217 315 K HA 0.018 4.338 4.320 -0.000 0.000 0.202 315 K C 0.701 177.335 176.600 0.057 0.000 1.051 315 K CA 0.853 57.172 56.287 0.053 0.000 0.952 315 K CB 0.288 32.817 32.500 0.048 0.000 0.736 315 K HN 0.231 nan 8.250 nan 0.000 0.453 316 G N -0.768 108.089 108.800 0.096 0.000 2.354 316 G HA2 0.149 4.109 3.960 -0.000 0.000 0.582 316 G HA3 0.149 4.109 3.960 -0.000 0.000 0.582 316 G C -1.433 173.572 174.900 0.176 0.000 1.316 316 G CA -0.590 44.556 45.100 0.075 0.000 0.995 316 G HN 0.192 nan 8.290 nan 0.000 0.573 317 F N -1.862 118.128 119.950 0.068 0.000 2.645 317 F HA 0.867 5.394 4.527 -0.000 0.000 0.310 317 F C -1.350 174.516 175.800 0.109 0.000 1.102 317 F CA -2.171 55.870 58.000 0.069 0.000 0.952 317 F CB 1.693 40.701 39.000 0.013 0.000 1.326 317 F HN 0.818 nan 8.300 nan 0.000 0.456 318 F N 4.097 124.198 119.950 0.251 0.000 2.467 318 F HA 0.798 5.324 4.527 -0.000 0.000 0.336 318 F C -2.019 173.936 175.800 0.258 0.000 1.123 318 F CA -1.129 56.969 58.000 0.162 0.000 0.964 318 F CB 1.637 40.685 39.000 0.079 0.000 1.136 318 F HN 0.719 nan 8.300 nan 0.000 0.447 319 L N 6.179 126.979 121.223 -0.704 0.000 2.438 319 L HA 0.474 4.814 4.340 -0.000 0.000 0.270 319 L C -1.463 174.963 176.870 -0.739 0.000 0.972 319 L CA -0.267 54.273 54.840 -0.499 0.000 0.831 319 L CB 2.010 44.011 42.059 -0.097 0.000 1.273 319 L HN 0.750 nan 8.230 nan 0.000 0.405 320 Q N 3.460 122.967 119.800 -0.488 0.000 2.312 320 Q HA 0.773 5.112 4.340 -0.000 0.000 0.263 320 Q C -1.910 174.032 176.000 -0.097 0.000 0.995 320 Q CA -0.716 54.954 55.803 -0.221 0.000 0.853 320 Q CB 2.032 30.810 28.738 0.068 0.000 1.300 320 Q HN 0.625 nan 8.270 nan 0.000 0.448 321 V N 3.696 123.557 119.914 -0.087 0.000 2.577 321 V HA 0.364 4.484 4.120 -0.000 0.000 0.303 321 V C -0.903 175.162 176.094 -0.049 0.000 1.042 321 V CA -0.695 61.566 62.300 -0.065 0.000 0.872 321 V CB 1.823 33.592 31.823 -0.090 0.000 0.998 321 V HN 0.821 nan 8.190 nan 0.000 0.423 322 E N 3.062 123.250 120.200 -0.020 0.000 2.165 322 E HA 0.537 4.887 4.350 -0.000 0.000 0.266 322 E C 0.141 176.723 176.600 -0.030 0.000 0.889 322 E CA -0.591 55.802 56.400 -0.011 0.000 0.756 322 E CB 1.782 31.508 29.700 0.044 0.000 1.131 322 E HN 0.856 nan 8.360 nan 0.000 0.411 323 G N 3.352 112.116 108.800 -0.059 0.000 2.915 323 G HA2 0.320 4.280 3.960 -0.000 0.000 0.298 323 G HA3 0.320 4.280 3.960 -0.000 0.000 0.298 323 G C 0.735 175.608 174.900 -0.044 0.000 0.837 323 G CA 0.278 45.334 45.100 -0.072 0.000 1.752 323 G HN 0.588 nan 8.290 nan 0.000 0.526 324 A N 1.903 124.717 122.820 -0.010 0.000 1.930 324 A HA -0.004 4.316 4.320 -0.000 0.000 0.217 324 A C 2.493 180.098 177.584 0.035 0.000 1.175 324 A CA 1.864 53.917 52.037 0.026 0.000 0.627 324 A CB -0.124 18.906 19.000 0.050 0.000 0.815 324 A HN 0.486 nan 8.150 nan 0.000 0.443 325 S N -0.287 115.419 115.700 0.010 0.000 2.561 325 S HA 0.060 4.530 4.470 -0.000 0.000 0.225 325 S C 1.564 176.160 174.600 -0.007 0.000 0.977 325 S CA 0.586 58.794 58.200 0.013 0.000 0.926 325 S CB -0.448 62.758 63.200 0.009 0.000 0.769 325 S HN 0.544 nan 8.310 nan 0.000 0.533 326 I N 1.976 122.524 120.570 -0.036 0.000 2.127 326 I HA -0.237 3.933 4.170 -0.000 0.000 0.241 326 I C 2.609 178.698 176.117 -0.047 0.000 1.075 326 I CA 1.566 62.829 61.300 -0.062 0.000 1.334 326 I CB -0.397 37.551 38.000 -0.086 0.000 1.040 326 I HN 0.338 nan 8.210 nan 0.000 0.405 327 D N 1.517 121.929 120.400 0.020 0.000 2.104 327 D HA -0.230 4.409 4.640 -0.000 0.000 0.194 327 D C 2.035 178.429 176.300 0.157 0.000 0.994 327 D CA 1.605 55.673 54.000 0.113 0.000 0.830 327 D CB 0.062 41.024 40.800 0.269 0.000 0.959 327 D HN 0.340 nan 8.370 nan 0.000 0.452 328 K N -0.323 120.207 120.400 0.216 0.000 2.057 328 K HA -0.129 4.191 4.320 -0.000 0.000 0.207 328 K C 2.357 179.047 176.600 0.150 0.000 1.049 328 K CA 0.881 57.327 56.287 0.264 0.000 0.931 328 K CB -0.012 32.587 32.500 0.166 0.000 0.714 328 K HN 0.186 nan 8.250 nan 0.000 0.440 329 Q N 0.705 120.532 119.800 0.045 0.000 2.245 329 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 329 Q C 1.582 177.541 176.000 -0.068 0.000 0.955 329 Q CA 0.990 56.789 55.803 -0.006 0.000 0.870 329 Q CB -0.059 28.669 28.738 -0.016 0.000 0.945 329 Q HN 0.316 nan 8.270 nan 0.000 0.461 330 D N 0.039 120.352 120.400 -0.145 0.000 2.097 330 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 330 D C 1.694 177.851 176.300 -0.238 0.000 0.984 330 D CA 0.894 54.715 54.000 -0.300 0.000 0.826 330 D CB 0.206 40.506 40.800 -0.834 0.000 0.973 330 D HN 0.307 nan 8.370 nan 0.000 0.460 331 H N 0.127 119.193 119.070 -0.007 0.000 2.353 331 H HA -0.026 4.530 4.556 -0.000 0.000 0.300 331 H C 1.760 177.087 175.328 -0.002 0.000 1.090 331 H CA 1.324 57.467 56.048 0.159 0.000 1.327 331 H CB -0.175 29.704 29.762 0.194 0.000 1.383 331 H HN 0.132 nan 8.280 nan 0.000 0.508 332 A N 0.547 123.410 122.820 0.072 0.000 2.239 332 A HA 0.301 4.621 4.320 -0.000 0.000 0.209 332 A C 1.564 179.029 177.584 -0.197 0.000 1.171 332 A CA 0.888 52.905 52.037 -0.033 0.000 0.768 332 A CB -0.426 18.567 19.000 -0.012 0.000 0.790 332 A HN 0.464 nan 8.150 nan 0.000 0.478 333 A N -0.405 122.144 122.820 -0.451 0.000 2.791 333 A HA -0.180 4.140 4.320 -0.000 0.000 0.292 333 A C 0.201 177.461 177.584 -0.540 0.000 1.487 333 A CA 0.875 52.315 52.037 -0.995 0.000 0.760 333 A CB -2.335 16.227 19.000 -0.731 0.000 1.031 333 A HN 0.591 nan 8.150 nan 0.000 0.503 334 N N -0.444 118.078 118.700 -0.296 0.000 2.776 334 N HA 0.395 5.134 4.740 -0.000 0.000 0.245 334 N C -1.808 173.701 175.510 -0.002 0.000 1.121 334 N CA -1.697 51.295 53.050 -0.096 0.000 0.852 334 N CB 1.154 39.610 38.487 -0.052 0.000 1.142 334 N HN 0.085 nan 8.380 nan 0.000 0.514 335 P HA -0.103 nan 4.420 nan 0.000 0.214 335 P C 1.345 178.664 177.300 0.032 0.000 1.163 335 P CA 1.141 64.301 63.100 0.099 0.000 0.889 335 P CB 0.358 32.126 31.700 0.113 0.000 0.790 336 c N -1.058 117.557 118.600 0.026 0.000 2.425 336 c HA -0.034 4.536 4.570 -0.000 0.000 0.277 336 c C 2.973 177.146 174.090 0.138 0.000 1.280 336 c CA 1.468 57.850 56.329 0.088 0.000 1.744 336 c CB -2.043 40.519 42.510 0.086 0.000 1.989 336 c HN 0.321 nan 8.230 nan 0.000 0.491 337 G N -0.624 108.219 108.800 0.072 0.000 2.421 337 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 337 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 337 G C 1.551 176.433 174.900 -0.030 0.000 1.171 337 G CA 1.026 46.145 45.100 0.032 0.000 0.775 337 G HN 0.673 nan 8.290 nan 0.000 0.543 338 Q N -0.168 119.619 119.800 -0.022 0.000 2.020 338 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 338 Q C 2.587 178.536 176.000 -0.086 0.000 0.982 338 Q CA 1.380 57.156 55.803 -0.044 0.000 0.838 338 Q CB -0.217 28.522 28.738 0.003 0.000 0.899 338 Q HN 0.552 nan 8.270 nan 0.000 0.423 339 I N 0.194 120.722 120.570 -0.069 0.000 2.202 339 I HA -0.169 4.001 4.170 -0.000 0.000 0.242 339 I C 2.374 178.287 176.117 -0.340 0.000 1.091 339 I CA 1.044 62.285 61.300 -0.099 0.000 1.368 339 I CB -0.598 37.393 38.000 -0.015 0.000 1.058 339 I HN 0.386 nan 8.210 nan 0.000 0.410 340 G N 0.357 108.851 108.800 -0.511 0.000 2.442 340 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 340 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 340 G C 1.518 176.011 174.900 -0.678 0.000 1.141 340 G CA 0.647 45.044 45.100 -1.173 0.000 0.763 340 G HN 0.283 nan 8.290 nan 0.000 0.554 341 E N 0.317 120.297 120.200 -0.367 0.000 2.285 341 E HA -0.028 4.322 4.350 -0.000 0.000 0.194 341 E C 2.677 179.118 176.600 -0.266 0.000 0.997 341 E CA 0.913 57.155 56.400 -0.263 0.000 0.845 341 E CB -0.398 29.206 29.700 -0.158 0.000 0.782 341 E HN 0.385 nan 8.360 nan 0.000 0.491 342 T N 0.578 114.965 114.554 -0.279 0.000 2.896 342 T HA -0.036 4.314 4.350 -0.000 0.000 0.263 342 T C 2.153 176.615 174.700 -0.395 0.000 1.050 342 T CA 0.690 62.616 62.100 -0.289 0.000 1.140 342 T CB -0.111 68.632 68.868 -0.209 0.000 0.877 342 T HN -0.034 nan 8.240 nan 0.000 0.457 343 V N 2.039 121.730 119.914 -0.372 0.000 2.407 343 V HA -0.177 3.943 4.120 -0.000 0.000 0.248 343 V C 2.427 178.344 176.094 -0.297 0.000 1.055 343 V CA 1.858 63.970 62.300 -0.313 0.000 1.049 343 V CB -0.605 31.026 31.823 -0.319 0.000 0.662 343 V HN 0.447 nan 8.190 nan 0.000 0.455 344 D N -0.150 120.059 120.400 -0.318 0.000 2.104 344 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 344 D C 1.934 178.107 176.300 -0.211 0.000 0.994 344 D CA 1.279 55.136 54.000 -0.238 0.000 0.830 344 D CB -0.147 40.512 40.800 -0.236 0.000 0.959 344 D HN 0.296 nan 8.370 nan 0.000 0.452 345 L N 0.505 121.584 121.223 -0.241 0.000 2.093 345 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 345 L C 1.679 178.400 176.870 -0.248 0.000 1.085 345 L CA 1.948 56.653 54.840 -0.224 0.000 0.755 345 L CB -0.883 41.036 42.059 -0.233 0.000 0.904 345 L HN 0.040 nan 8.230 nan 0.000 0.435 346 D N -0.771 119.427 120.400 -0.336 0.000 2.149 346 D HA -0.244 4.396 4.640 -0.000 0.000 0.198 346 D C 1.992 178.172 176.300 -0.200 0.000 0.990 346 D CA 1.560 55.351 54.000 -0.348 0.000 0.839 346 D CB 0.017 40.512 40.800 -0.508 0.000 0.948 346 D HN 0.536 nan 8.370 nan 0.000 0.460 347 E N -0.463 119.639 120.200 -0.163 0.000 2.077 347 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 347 E C 2.136 178.677 176.600 -0.100 0.000 0.989 347 E CA 0.880 57.219 56.400 -0.103 0.000 0.800 347 E CB -0.156 29.491 29.700 -0.088 0.000 0.746 347 E HN 0.397 nan 8.360 nan 0.000 0.452 348 A N 0.744 123.493 122.820 -0.118 0.000 1.902 348 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 348 A C 2.451 179.976 177.584 -0.099 0.000 1.181 348 A CA 1.100 53.074 52.037 -0.105 0.000 0.623 348 A CB -0.601 18.331 19.000 -0.113 0.000 0.818 348 A HN 0.123 nan 8.150 nan 0.000 0.443 349 V N 0.420 120.260 119.914 -0.122 0.000 2.332 349 V HA -0.353 3.767 4.120 -0.000 0.000 0.248 349 V C 2.645 178.686 176.094 -0.090 0.000 1.055 349 V CA 2.270 64.501 62.300 -0.114 0.000 1.038 349 V CB -1.046 30.688 31.823 -0.149 0.000 0.651 349 V HN 0.670 nan 8.190 nan 0.000 0.450 350 Q N -0.373 119.374 119.800 -0.088 0.000 2.096 350 Q HA -0.210 4.129 4.340 -0.000 0.000 0.204 350 Q C 2.506 178.485 176.000 -0.035 0.000 0.982 350 Q CA 1.287 57.053 55.803 -0.062 0.000 0.850 350 Q CB -0.345 28.363 28.738 -0.051 0.000 0.901 350 Q HN 0.512 nan 8.270 nan 0.000 0.422 351 R N 0.627 121.108 120.500 -0.030 0.000 2.081 351 R HA -0.061 4.278 4.340 -0.000 0.000 0.235 351 R C 2.230 178.552 176.300 0.037 0.000 1.131 351 R CA 1.304 57.403 56.100 -0.001 0.000 0.960 351 R CB -1.009 29.275 30.300 -0.025 0.000 0.856 351 R HN 0.311 nan 8.270 nan 0.000 0.436 352 A N 1.283 124.108 122.820 0.009 0.000 1.908 352 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 352 A C 2.408 180.055 177.584 0.105 0.000 1.181 352 A CA 1.234 53.303 52.037 0.053 0.000 0.627 352 A CB -0.604 18.400 19.000 0.006 0.000 0.818 352 A HN 0.203 nan 8.150 nan 0.000 0.445 353 L N -1.370 119.861 121.223 0.013 0.000 2.109 353 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 353 L C 2.629 179.475 176.870 -0.040 0.000 1.086 353 L CA 1.370 56.170 54.840 -0.065 0.000 0.760 353 L CB -0.365 41.597 42.059 -0.161 0.000 0.910 353 L HN 0.356 nan 8.230 nan 0.000 0.437 354 E N -0.086 120.120 120.200 0.010 0.000 2.051 354 E HA -0.266 4.083 4.350 -0.000 0.000 0.192 354 E C 1.859 178.495 176.600 0.060 0.000 0.991 354 E CA 1.489 57.902 56.400 0.021 0.000 0.799 354 E CB -0.267 29.459 29.700 0.043 0.000 0.748 354 E HN 0.355 nan 8.360 nan 0.000 0.449 355 F N 0.513 120.467 119.950 0.007 0.000 2.102 355 F HA -0.181 4.345 4.527 -0.000 0.000 0.298 355 F C 2.030 177.870 175.800 0.066 0.000 1.105 355 F CA 1.718 59.743 58.000 0.042 0.000 1.239 355 F CB -0.529 38.508 39.000 0.062 0.000 0.991 355 F HN 0.062 nan 8.300 nan 0.000 0.474 356 A N 0.390 123.297 122.820 0.144 0.000 1.902 356 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 356 A C 2.242 179.880 177.584 0.091 0.000 1.181 356 A CA 1.883 53.994 52.037 0.123 0.000 0.623 356 A CB -0.712 18.479 19.000 0.319 0.000 0.818 356 A HN 0.489 nan 8.150 nan 0.000 0.443 357 K N -0.473 119.951 120.400 0.040 0.000 2.097 357 K HA -0.143 4.177 4.320 -0.000 0.000 0.206 357 K C 2.157 178.749 176.600 -0.015 0.000 1.049 357 K CA 1.567 57.889 56.287 0.059 0.000 0.933 357 K CB -0.124 32.350 32.500 -0.042 0.000 0.717 357 K HN 0.453 nan 8.250 nan 0.000 0.442 358 K N 1.195 121.531 120.400 -0.106 0.000 1.973 358 K HA -0.175 4.144 4.320 -0.000 0.000 0.212 358 K C 2.231 178.718 176.600 -0.188 0.000 1.047 358 K CA 1.395 57.594 56.287 -0.147 0.000 0.937 358 K CB 0.001 32.379 32.500 -0.202 0.000 0.721 358 K HN -0.012 nan 8.250 nan 0.000 0.440 359 E N -0.140 119.848 120.200 -0.354 0.000 2.097 359 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 359 E C 1.261 177.771 176.600 -0.149 0.000 1.000 359 E CA 1.648 57.848 56.400 -0.334 0.000 0.804 359 E CB -0.193 29.147 29.700 -0.600 0.000 0.740 359 E HN 0.607 nan 8.360 nan 0.000 0.454 360 G N 0.656 109.401 108.800 -0.092 0.000 2.189 360 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.267 360 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.267 360 G C 0.611 175.477 174.900 -0.056 0.000 0.975 360 G CA 0.654 45.725 45.100 -0.047 0.000 0.644 360 G HN 0.375 nan 8.290 nan 0.000 0.537 361 N N 0.401 119.070 118.700 -0.052 0.000 2.365 361 N HA 0.157 4.897 4.740 -0.000 0.000 0.257 361 N C -0.460 175.029 175.510 -0.035 0.000 1.287 361 N CA 0.206 53.231 53.050 -0.042 0.000 0.882 361 N CB 1.124 39.593 38.487 -0.029 0.000 1.250 361 N HN 0.271 nan 8.380 nan 0.000 0.507 362 T N 1.499 116.043 114.554 -0.017 0.000 2.823 362 T HA 0.393 4.742 4.350 -0.000 0.000 0.279 362 T C -0.368 174.341 174.700 0.016 0.000 0.998 362 T CA -0.441 61.669 62.100 0.015 0.000 0.994 362 T CB 2.016 70.965 68.868 0.135 0.000 0.960 362 T HN 0.045 nan 8.240 nan 0.000 0.448 363 L N 4.928 126.150 121.223 -0.002 0.000 2.282 363 L HA 0.732 5.072 4.340 -0.000 0.000 0.288 363 L C -1.099 175.796 176.870 0.042 0.000 1.033 363 L CA -0.360 54.486 54.840 0.011 0.000 0.807 363 L CB 0.948 43.011 42.059 0.007 0.000 1.209 363 L HN 0.413 nan 8.230 nan 0.000 0.423 364 V N 6.703 126.671 119.914 0.090 0.000 2.448 364 V HA 0.540 4.660 4.120 -0.000 0.000 0.295 364 V C -0.083 176.034 176.094 0.039 0.000 1.025 364 V CA -0.376 61.972 62.300 0.081 0.000 0.859 364 V CB 1.473 33.380 31.823 0.140 0.000 0.988 364 V HN 0.666 nan 8.190 nan 0.000 0.431 365 I N 4.538 125.095 120.570 -0.022 0.000 2.498 365 I HA 0.605 4.774 4.170 -0.000 0.000 0.290 365 I C -0.838 175.208 176.117 -0.117 0.000 1.032 365 I CA -0.811 60.449 61.300 -0.067 0.000 1.073 365 I CB 2.380 40.329 38.000 -0.085 0.000 1.251 365 I HN 0.287 nan 8.210 nan 0.000 0.426 366 V N 4.689 124.523 119.914 -0.134 0.000 2.483 366 V HA 0.724 4.843 4.120 -0.000 0.000 0.297 366 V C -0.176 175.791 176.094 -0.212 0.000 1.027 366 V CA -0.215 61.986 62.300 -0.166 0.000 0.855 366 V CB 1.713 33.453 31.823 -0.138 0.000 0.995 366 V HN 0.898 nan 8.190 nan 0.000 0.424 367 T N 2.818 117.220 114.554 -0.254 0.000 2.637 367 T HA 0.850 5.200 4.350 -0.000 0.000 0.303 367 T C -1.436 173.120 174.700 -0.241 0.000 1.288 367 T CA 0.384 62.314 62.100 -0.283 0.000 1.040 367 T CB 1.855 70.460 68.868 -0.439 0.000 1.644 367 T HN 1.101 nan 8.240 nan 0.000 0.480 368 A N 0.364 123.077 122.820 -0.178 0.000 2.479 368 A HA 0.680 4.999 4.320 -0.000 0.000 0.296 368 A C 0.420 177.960 177.584 -0.073 0.000 1.121 368 A CA 0.063 52.002 52.037 -0.163 0.000 0.743 368 A CB 1.249 20.146 19.000 -0.170 0.000 1.323 368 A HN 0.864 nan 8.150 nan 0.000 0.415 369 D N -0.447 119.882 120.400 -0.119 0.000 2.194 369 D HA 0.095 4.735 4.640 -0.000 0.000 0.204 369 D C 0.481 176.672 176.300 -0.182 0.000 0.964 369 D CA 1.939 56.004 54.000 0.108 0.000 0.846 369 D CB -0.302 40.652 40.800 0.257 0.000 0.962 369 D HN 0.811 nan 8.370 nan 0.000 0.490 370 H N -2.589 116.287 119.070 -0.323 0.000 2.917 370 H HA 0.710 5.266 4.556 -0.000 0.000 0.299 370 H C -1.167 173.942 175.328 -0.365 0.000 1.418 370 H CA -0.864 54.753 56.048 -0.719 0.000 1.138 370 H CB 0.709 30.173 29.762 -0.497 0.000 1.830 370 H HN 0.070 nan 8.280 nan 0.000 0.514 371 A N 0.259 123.078 122.820 -0.002 0.000 2.259 371 A HA 0.528 4.848 4.320 -0.000 0.000 0.278 371 A C -0.420 177.299 177.584 0.224 0.000 1.107 371 A CA -0.056 52.067 52.037 0.143 0.000 0.828 371 A CB 0.343 19.469 19.000 0.210 0.000 1.111 371 A HN 0.788 nan 8.150 nan 0.000 0.498 372 H N -2.332 116.806 119.070 0.114 0.000 3.220 372 H HA 0.636 5.191 4.556 -0.000 0.000 0.299 372 H C 1.040 176.427 175.328 0.099 0.000 1.604 372 H CA 0.189 56.305 56.048 0.114 0.000 1.260 372 H CB 1.604 31.399 29.762 0.055 0.000 1.846 372 H HN 0.594 nan 8.280 nan 0.000 0.632 373 A N 0.247 123.408 122.820 0.567 0.000 1.898 373 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 373 A C 0.819 178.442 177.584 0.065 0.000 1.183 373 A CA 0.954 53.186 52.037 0.324 0.000 0.622 373 A CB -0.840 18.436 19.000 0.459 0.000 0.824 373 A HN 0.596 nan 8.150 nan 0.000 0.444 374 S N 0.474 116.117 115.700 -0.096 0.000 2.593 374 S HA 0.200 4.669 4.470 -0.000 0.000 0.300 374 S C -0.274 174.192 174.600 -0.222 0.000 1.267 374 S CA 0.042 57.997 58.200 -0.408 0.000 1.065 374 S CB 0.078 63.026 63.200 -0.421 0.000 0.807 374 S HN 0.523 nan 8.310 nan 0.000 0.499 375 Q N 1.941 121.584 119.800 -0.262 0.000 2.372 375 Q HA 0.544 4.883 4.340 -0.000 0.000 0.273 375 Q C -0.943 174.991 176.000 -0.111 0.000 1.078 375 Q CA -0.659 55.069 55.803 -0.125 0.000 0.806 375 Q CB 2.228 30.924 28.738 -0.070 0.000 1.332 375 Q HN 0.757 nan 8.270 nan 0.000 0.435 376 I N 2.722 123.261 120.570 -0.052 0.000 2.315 376 I HA 0.340 4.510 4.170 -0.000 0.000 0.291 376 I C 0.013 176.122 176.117 -0.014 0.000 1.006 376 I CA -0.732 60.552 61.300 -0.026 0.000 1.265 376 I CB 0.898 38.897 38.000 -0.002 0.000 1.387 376 I HN 0.328 nan 8.210 nan 0.000 0.475 377 V N 3.018 122.925 119.914 -0.011 0.000 3.113 377 V HA 0.861 4.981 4.120 -0.000 0.000 0.316 377 V C 0.320 176.414 176.094 -0.000 0.000 1.125 377 V CA -1.080 61.217 62.300 -0.005 0.000 1.026 377 V CB 1.522 33.342 31.823 -0.005 0.000 1.080 377 V HN 0.738 nan 8.190 nan 0.000 0.444 378 A N 1.380 124.199 122.820 -0.002 0.000 2.466 378 A HA 0.514 4.834 4.320 -0.000 0.000 0.238 378 A C -1.251 176.329 177.584 -0.006 0.000 1.074 378 A CA -0.462 51.573 52.037 -0.003 0.000 0.774 378 A CB -0.505 18.492 19.000 -0.005 0.000 1.015 378 A HN 0.854 nan 8.150 nan 0.000 0.498 379 P HA -0.146 nan 4.420 nan 0.000 0.218 379 P C 0.536 177.824 177.300 -0.022 0.000 1.148 379 P CA 1.639 64.735 63.100 -0.008 0.000 0.822 379 P CB 0.022 31.719 31.700 -0.005 0.000 0.784 380 D N -2.497 117.886 120.400 -0.027 0.000 2.325 380 D HA 0.004 4.644 4.640 -0.000 0.000 0.225 380 D C -0.174 176.092 176.300 -0.057 0.000 1.096 380 D CA 0.103 54.077 54.000 -0.043 0.000 0.844 380 D CB -0.711 40.068 40.800 -0.034 0.000 0.925 380 D HN 0.022 nan 8.370 nan 0.000 0.513 381 T N 1.625 116.150 114.554 -0.047 0.000 2.888 381 T HA 0.045 4.395 4.350 -0.000 0.000 0.301 381 T C 0.418 175.064 174.700 -0.089 0.000 1.001 381 T CA 0.070 62.142 62.100 -0.046 0.000 1.147 381 T CB 1.183 70.039 68.868 -0.021 0.000 0.931 381 T HN -0.028 nan 8.240 nan 0.000 0.541 382 K N 2.882 123.227 120.400 -0.091 0.000 2.354 382 K HA 0.544 4.864 4.320 -0.000 0.000 0.257 382 K C -0.393 176.205 176.600 -0.004 0.000 1.062 382 K CA -0.365 55.832 56.287 -0.150 0.000 0.971 382 K CB 1.409 33.821 32.500 -0.147 0.000 1.305 382 K HN 0.648 nan 8.250 nan 0.000 0.449 383 A N 3.359 126.204 122.820 0.041 0.000 2.320 383 A HA 0.539 4.858 4.320 -0.000 0.000 0.334 383 A C -1.601 176.113 177.584 0.217 0.000 1.147 383 A CA -1.294 50.811 52.037 0.114 0.000 0.820 383 A CB 0.683 19.735 19.000 0.087 0.000 1.218 383 A HN 0.341 nan 8.150 nan 0.000 0.482 384 P HA 0.050 nan 4.420 nan 0.000 0.231 384 P C 0.908 178.389 177.300 0.302 0.000 1.168 384 P CA 1.327 64.601 63.100 0.290 0.000 0.779 384 P CB 0.324 32.128 31.700 0.172 0.000 0.844 385 G N 0.243 109.189 108.800 0.244 0.000 2.945 385 G HA2 0.538 4.498 3.960 -0.000 0.000 0.156 385 G HA3 0.538 4.498 3.960 -0.000 0.000 0.156 385 G C -0.706 174.350 174.900 0.260 0.000 1.375 385 G CA -0.594 44.644 45.100 0.230 0.000 1.039 385 G HN 0.048 nan 8.290 nan 0.000 0.586 386 L N 1.086 122.448 121.223 0.232 0.000 2.295 386 L HA 0.565 4.905 4.340 -0.000 0.000 0.285 386 L C 0.158 177.177 176.870 0.249 0.000 1.035 386 L CA -0.625 54.346 54.840 0.219 0.000 0.806 386 L CB 1.874 44.034 42.059 0.168 0.000 1.214 386 L HN 0.664 nan 8.230 nan 0.000 0.426 387 T N 0.031 114.694 114.554 0.182 0.000 2.865 387 T HA 0.666 5.016 4.350 -0.000 0.000 0.294 387 T C -0.940 173.836 174.700 0.126 0.000 1.119 387 T CA -0.896 61.296 62.100 0.154 0.000 1.007 387 T CB 2.541 71.461 68.868 0.086 0.000 1.225 387 T HN 0.610 nan 8.240 nan 0.000 0.515 388 Q N -0.289 119.578 119.800 0.112 0.000 2.438 388 Q HA 0.597 4.936 4.340 -0.000 0.000 0.272 388 Q C -2.019 174.025 176.000 0.073 0.000 0.994 388 Q CA -0.919 54.938 55.803 0.089 0.000 0.887 388 Q CB 2.038 30.840 28.738 0.106 0.000 1.432 388 Q HN 1.175 nan 8.270 nan 0.000 0.392 389 A N 3.610 126.465 122.820 0.059 0.000 2.301 389 A HA 0.779 5.099 4.320 -0.000 0.000 0.312 389 A C -1.244 176.385 177.584 0.076 0.000 1.182 389 A CA -0.386 51.685 52.037 0.056 0.000 0.826 389 A CB 0.494 19.517 19.000 0.038 0.000 1.134 389 A HN 0.609 nan 8.150 nan 0.000 0.501 390 L N 1.925 123.209 121.223 0.102 0.000 2.386 390 L HA 0.356 4.695 4.340 -0.000 0.000 0.271 390 L C -0.283 176.688 176.870 0.167 0.000 0.993 390 L CA -0.448 54.490 54.840 0.164 0.000 0.819 390 L CB 2.244 44.435 42.059 0.220 0.000 1.294 390 L HN 0.770 nan 8.230 nan 0.000 0.414 391 N N 0.853 119.651 118.700 0.163 0.000 2.406 391 N HA 0.318 5.058 4.740 -0.000 0.000 0.251 391 N C -0.216 175.263 175.510 -0.051 0.000 1.069 391 N CA -0.343 52.740 53.050 0.055 0.000 0.947 391 N CB 0.964 39.462 38.487 0.018 0.000 1.111 391 N HN 0.682 nan 8.380 nan 0.000 0.497 392 T N -1.096 113.384 114.554 -0.123 0.000 2.849 392 T HA 0.177 4.526 4.350 -0.000 0.000 0.276 392 T C 1.237 175.731 174.700 -0.344 0.000 0.971 392 T CA -0.686 61.198 62.100 -0.359 0.000 0.949 392 T CB 1.253 70.045 68.868 -0.127 0.000 1.093 392 T HN 0.405 nan 8.240 nan 0.000 0.545 393 K N -0.023 120.152 120.400 -0.374 0.000 2.281 393 K HA -0.136 4.184 4.320 -0.000 0.000 0.203 393 K C 1.298 177.813 176.600 -0.141 0.000 1.046 393 K CA 1.640 57.786 56.287 -0.236 0.000 0.938 393 K CB -0.394 31.993 32.500 -0.187 0.000 0.737 393 K HN 0.556 nan 8.250 nan 0.000 0.458 394 D N -0.264 120.065 120.400 -0.117 0.000 2.347 394 D HA 0.014 4.653 4.640 -0.000 0.000 0.215 394 D C 0.812 177.073 176.300 -0.065 0.000 0.976 394 D CA 1.185 55.139 54.000 -0.075 0.000 0.884 394 D CB 0.260 41.026 40.800 -0.056 0.000 0.915 394 D HN 0.503 nan 8.370 nan 0.000 0.526 395 G N 0.504 109.257 108.800 -0.078 0.000 2.160 395 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.244 395 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.244 395 G C 0.229 175.105 174.900 -0.041 0.000 1.022 395 G CA 0.288 45.353 45.100 -0.059 0.000 0.741 395 G HN 0.640 nan 8.290 nan 0.000 0.508 396 A N -1.328 121.468 122.820 -0.040 0.000 2.479 396 A HA 0.922 5.242 4.320 -0.000 0.000 0.296 396 A C -0.140 177.440 177.584 -0.007 0.000 1.121 396 A CA -0.308 51.717 52.037 -0.021 0.000 0.743 396 A CB 1.991 20.980 19.000 -0.018 0.000 1.323 396 A HN 1.181 nan 8.150 nan 0.000 0.415 397 V N 1.534 121.451 119.914 0.005 0.000 2.509 397 V HA 0.515 4.635 4.120 -0.000 0.000 0.284 397 V C 0.111 176.224 176.094 0.032 0.000 1.047 397 V CA -0.105 62.209 62.300 0.023 0.000 0.952 397 V CB 1.293 33.126 31.823 0.018 0.000 0.988 397 V HN 0.893 nan 8.190 nan 0.000 0.469 398 M N 5.184 124.819 119.600 0.059 0.000 2.393 398 M HA 0.643 5.123 4.480 -0.000 0.000 0.316 398 M C -1.660 174.676 176.300 0.061 0.000 1.087 398 M CA -0.486 54.851 55.300 0.062 0.000 0.937 398 M CB 1.916 34.571 32.600 0.092 0.000 1.668 398 M HN 0.418 nan 8.290 nan 0.000 0.438 399 V N 5.927 125.864 119.914 0.038 0.000 2.435 399 V HA 0.496 4.616 4.120 -0.000 0.000 0.290 399 V C -0.277 175.828 176.094 0.019 0.000 1.030 399 V CA -0.473 61.847 62.300 0.033 0.000 0.881 399 V CB 1.765 33.599 31.823 0.019 0.000 0.983 399 V HN 0.945 nan 8.190 nan 0.000 0.445 400 M N 3.369 122.984 119.600 0.026 0.000 2.436 400 M HA 0.525 5.004 4.480 -0.000 0.000 0.331 400 M C -0.261 176.017 176.300 -0.036 0.000 1.135 400 M CA -0.118 55.162 55.300 -0.032 0.000 0.987 400 M CB 2.119 34.706 32.600 -0.022 0.000 1.687 400 M HN 0.636 nan 8.290 nan 0.000 0.445 401 S N 2.057 117.656 115.700 -0.169 0.000 2.532 401 S HA 0.666 5.135 4.470 -0.000 0.000 0.299 401 S C -1.885 172.539 174.600 -0.294 0.000 1.105 401 S CA -0.516 57.620 58.200 -0.106 0.000 1.018 401 S CB 0.709 63.890 63.200 -0.032 0.000 1.021 401 S HN 0.525 nan 8.310 nan 0.000 0.483 402 Y N 2.316 122.657 120.300 0.067 0.000 2.526 402 Y HA 0.530 5.080 4.550 -0.000 0.000 0.328 402 Y C 0.888 176.841 175.900 0.088 0.000 0.995 402 Y CA -0.847 57.300 58.100 0.078 0.000 1.304 402 Y CB 1.754 40.258 38.460 0.073 0.000 1.096 402 Y HN 0.809 nan 8.280 nan 0.000 0.499 403 G N 1.606 110.519 108.800 0.189 0.000 4.543 403 G HA2 0.017 3.976 3.960 -0.000 0.000 0.286 403 G HA3 0.017 3.976 3.960 -0.000 0.000 0.286 403 G C 0.215 175.193 174.900 0.129 0.000 1.112 403 G CA -0.453 44.739 45.100 0.153 0.000 0.870 403 G HN 0.557 nan 8.290 nan 0.000 0.540 404 N N -0.917 117.872 118.700 0.147 0.000 2.184 404 N HA 0.168 4.908 4.740 -0.000 0.000 0.206 404 N C 0.022 175.597 175.510 0.108 0.000 1.151 404 N CA -0.262 52.860 53.050 0.120 0.000 0.878 404 N CB 0.982 39.544 38.487 0.124 0.000 1.014 404 N HN 0.046 nan 8.380 nan 0.000 0.512 405 S N -0.695 115.073 115.700 0.113 0.000 2.546 405 S HA 0.323 4.792 4.470 -0.000 0.000 0.272 405 S C -0.346 174.297 174.600 0.072 0.000 1.140 405 S CA -0.531 57.722 58.200 0.087 0.000 0.920 405 S CB 1.482 64.740 63.200 0.096 0.000 1.083 405 S HN 0.155 nan 8.310 nan 0.000 0.476 406 E N 1.256 121.484 120.200 0.047 0.000 2.447 406 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 406 E C 0.207 176.819 176.600 0.020 0.000 1.028 406 E CA 0.157 56.574 56.400 0.029 0.000 0.876 406 E CB 0.295 30.004 29.700 0.014 0.000 0.885 406 E HN 0.597 nan 8.360 nan 0.000 0.500 407 E N 0.723 120.938 120.200 0.025 0.000 2.421 407 E HA -0.031 4.319 4.350 -0.000 0.000 0.253 407 E C 0.340 176.953 176.600 0.021 0.000 1.277 407 E CA 0.194 56.604 56.400 0.016 0.000 0.968 407 E CB 0.334 30.042 29.700 0.013 0.000 1.040 407 E HN 0.079 nan 8.360 nan 0.000 0.512 408 D N -0.371 120.036 120.400 0.011 0.000 2.269 408 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 408 D C 0.480 176.794 176.300 0.024 0.000 0.963 408 D CA 0.839 54.844 54.000 0.009 0.000 0.864 408 D CB 0.188 40.986 40.800 -0.003 0.000 0.936 408 D HN 0.074 nan 8.370 nan 0.000 0.505 409 S N 0.207 115.929 115.700 0.038 0.000 2.454 409 S HA 0.199 4.669 4.470 -0.000 0.000 0.306 409 S C -0.583 174.117 174.600 0.166 0.000 1.100 409 S CA -0.952 57.302 58.200 0.090 0.000 1.087 409 S CB 0.734 63.944 63.200 0.016 0.000 1.019 409 S HN -0.135 nan 8.310 nan 0.000 0.480 410 Q N 2.794 122.744 119.800 0.249 0.000 2.354 410 Q HA 0.318 4.658 4.340 -0.000 0.000 0.244 410 Q C -0.011 176.240 176.000 0.418 0.000 0.969 410 Q CA -0.072 55.906 55.803 0.292 0.000 0.885 410 Q CB 0.656 29.580 28.738 0.309 0.000 1.241 410 Q HN 0.678 nan 8.270 nan 0.000 0.461 411 E N 1.173 121.535 120.200 0.271 0.000 2.277 411 E HA 0.200 4.549 4.350 -0.000 0.000 0.274 411 E C -0.337 176.269 176.600 0.009 0.000 1.022 411 E CA -0.416 56.063 56.400 0.131 0.000 0.853 411 E CB 0.792 30.541 29.700 0.082 0.000 1.086 411 E HN 0.480 nan 8.360 nan 0.000 0.397 412 H N 0.413 119.315 119.070 -0.281 0.000 2.836 412 H HA 0.100 4.656 4.556 -0.000 0.000 0.368 412 H C 0.454 175.723 175.328 -0.099 0.000 1.164 412 H CA 0.042 55.846 56.048 -0.406 0.000 1.425 412 H CB 0.712 30.181 29.762 -0.488 0.000 1.414 412 H HN 0.439 nan 8.280 nan 0.000 0.614 413 T N -1.323 113.312 114.554 0.134 0.000 2.907 413 T HA 0.364 4.714 4.350 -0.000 0.000 0.292 413 T C 1.113 175.960 174.700 0.245 0.000 1.043 413 T CA -0.608 61.592 62.100 0.167 0.000 1.003 413 T CB 1.753 70.714 68.868 0.155 0.000 1.084 413 T HN 0.630 nan 8.240 nan 0.000 0.483 414 G N 0.351 109.291 108.800 0.234 0.000 2.985 414 G HA2 0.205 4.164 3.960 -0.000 0.000 0.209 414 G HA3 0.205 4.164 3.960 -0.000 0.000 0.209 414 G C 0.603 175.632 174.900 0.214 0.000 1.165 414 G CA -0.084 45.178 45.100 0.269 0.000 0.776 414 G HN 0.857 nan 8.290 nan 0.000 0.541 415 S N 0.543 116.376 115.700 0.221 0.000 2.560 415 S HA 0.182 4.652 4.470 -0.000 0.000 0.284 415 S C 0.902 175.645 174.600 0.238 0.000 1.327 415 S CA -0.520 57.784 58.200 0.172 0.000 1.055 415 S CB 0.397 63.693 63.200 0.160 0.000 0.868 415 S HN 0.616 nan 8.310 nan 0.000 0.506 416 Q N 2.784 122.666 119.800 0.136 0.000 2.432 416 Q HA 0.412 4.752 4.340 -0.000 0.000 0.264 416 Q C -0.484 175.667 176.000 0.251 0.000 1.035 416 Q CA -0.292 55.622 55.803 0.184 0.000 0.908 416 Q CB 0.205 29.021 28.738 0.130 0.000 1.280 416 Q HN 0.557 nan 8.270 nan 0.000 0.455 417 L N -1.986 119.423 121.223 0.311 0.000 2.502 417 L HA 0.586 4.926 4.340 -0.000 0.000 0.253 417 L C -0.543 176.403 176.870 0.126 0.000 1.070 417 L CA -1.406 53.560 54.840 0.209 0.000 0.871 417 L CB 1.443 43.626 42.059 0.208 0.000 1.487 417 L HN 0.733 nan 8.230 nan 0.000 0.408 418 R N 0.918 121.441 120.500 0.039 0.000 2.538 418 R HA 0.495 4.835 4.340 -0.000 0.000 0.282 418 R C -0.984 175.218 176.300 -0.165 0.000 1.009 418 R CA 0.112 56.190 56.100 -0.037 0.000 1.063 418 R CB 0.229 30.512 30.300 -0.028 0.000 0.945 418 R HN 0.833 nan 8.270 nan 0.000 0.414 419 I N 3.118 123.560 120.570 -0.214 0.000 2.582 419 I HA 0.594 4.764 4.170 -0.000 0.000 0.292 419 I C -1.475 174.540 176.117 -0.169 0.000 1.066 419 I CA -0.506 60.601 61.300 -0.322 0.000 1.053 419 I CB 1.946 39.591 38.000 -0.592 0.000 1.241 419 I HN 0.817 nan 8.210 nan 0.000 0.421 420 A N 5.595 128.329 122.820 -0.143 0.000 2.498 420 A HA 1.007 5.327 4.320 -0.000 0.000 0.298 420 A C -1.405 176.150 177.584 -0.047 0.000 1.075 420 A CA -0.216 51.781 52.037 -0.067 0.000 0.714 420 A CB 1.862 20.831 19.000 -0.051 0.000 1.299 420 A HN 1.140 nan 8.150 nan 0.000 0.407 421 A N 0.018 122.840 122.820 0.004 0.000 2.609 421 A HA 0.772 5.092 4.320 -0.000 0.000 0.291 421 A C -1.829 175.824 177.584 0.116 0.000 1.096 421 A CA -0.389 51.670 52.037 0.037 0.000 0.684 421 A CB 1.105 20.110 19.000 0.008 0.000 1.282 421 A HN 2.005 nan 8.150 nan 0.000 0.412 422 Y N 0.264 120.556 120.300 -0.013 0.000 2.470 422 Y HA 0.619 5.169 4.550 -0.001 0.000 0.341 422 Y C 0.223 176.124 175.900 0.001 0.000 1.021 422 Y CA 0.577 58.675 58.100 -0.003 0.000 1.025 422 Y CB 1.750 40.210 38.460 0.000 0.000 1.266 422 Y HN 2.387 nan 8.280 nan 0.000 0.448 423 G N 4.213 112.560 108.800 -0.754 0.000 2.422 423 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.607 423 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.607 423 G C -3.239 171.494 174.900 -0.279 0.000 1.270 423 G CA -1.102 43.647 45.100 -0.585 0.000 0.992 423 G HN 0.537 nan 8.290 nan 0.000 0.499 424 P HA 0.284 nan 4.420 nan 0.000 0.264 424 P C 0.352 177.666 177.300 0.022 0.000 1.193 424 P CA 0.893 63.937 63.100 -0.094 0.000 0.763 424 P CB 0.068 31.775 31.700 0.013 0.000 0.810 425 H N 0.816 119.843 119.070 -0.070 0.000 3.428 425 H HA -0.209 4.347 4.556 -0.000 0.000 0.204 425 H C 1.289 176.594 175.328 -0.038 0.000 1.078 425 H CA 0.928 56.950 56.048 -0.043 0.000 1.183 425 H CB -1.675 28.067 29.762 -0.033 0.000 1.132 425 H HN 0.558 nan 8.280 nan 0.000 0.323 426 A N 0.839 123.657 122.820 -0.004 0.000 2.070 426 A HA 0.132 4.452 4.320 -0.000 0.000 0.220 426 A C 2.526 180.111 177.584 0.001 0.000 1.159 426 A CA 1.741 53.775 52.037 -0.006 0.000 0.656 426 A CB -0.489 18.484 19.000 -0.044 0.000 0.800 426 A HN 0.560 nan 8.150 nan 0.000 0.453 427 A N 0.515 123.327 122.820 -0.014 0.000 2.076 427 A HA -0.170 4.150 4.320 -0.000 0.000 0.220 427 A C 1.627 179.226 177.584 0.024 0.000 1.160 427 A CA 1.431 53.466 52.037 -0.004 0.000 0.653 427 A CB -0.555 18.431 19.000 -0.023 0.000 0.801 427 A HN 0.571 nan 8.150 nan 0.000 0.455 428 N N 0.150 118.879 118.700 0.049 0.000 2.571 428 N HA -0.070 4.669 4.740 -0.000 0.000 0.189 428 N C 1.373 176.923 175.510 0.067 0.000 1.154 428 N CA 1.350 54.443 53.050 0.070 0.000 0.907 428 N CB 0.211 38.761 38.487 0.104 0.000 0.977 428 N HN 0.600 nan 8.380 nan 0.000 0.449 429 V N -2.777 117.163 119.914 0.042 0.000 3.660 429 V HA 0.208 4.327 4.120 -0.000 0.000 0.276 429 V C 0.777 176.885 176.094 0.024 0.000 1.317 429 V CA -0.089 62.227 62.300 0.026 0.000 1.097 429 V CB -0.144 31.669 31.823 -0.017 0.000 0.863 429 V HN -0.227 nan 8.190 nan 0.000 0.438 430 V N 2.341 122.273 119.914 0.029 0.000 2.881 430 V HA 0.758 4.878 4.120 -0.000 0.000 0.303 430 V C 1.346 177.464 176.094 0.041 0.000 1.070 430 V CA 0.723 63.040 62.300 0.029 0.000 1.074 430 V CB -0.024 31.813 31.823 0.023 0.000 1.012 430 V HN 1.033 nan 8.190 nan 0.000 0.482 431 G N 2.652 111.477 108.800 0.041 0.000 2.593 431 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.237 431 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.237 431 G C -0.778 174.162 174.900 0.068 0.000 1.312 431 G CA 0.074 45.203 45.100 0.049 0.000 0.896 431 G HN 1.160 nan 8.290 nan 0.000 0.574 432 L N 1.710 122.978 121.223 0.074 0.000 2.290 432 L HA 0.730 5.070 4.340 -0.000 0.000 0.284 432 L C 1.059 177.996 176.870 0.113 0.000 1.078 432 L CA 1.042 55.940 54.840 0.097 0.000 0.815 432 L CB 1.071 43.180 42.059 0.085 0.000 1.162 432 L HN 1.504 nan 8.230 nan 0.000 0.435 433 T N 0.292 114.940 114.554 0.158 0.000 2.838 433 T HA 0.576 4.925 4.350 -0.000 0.000 0.292 433 T C -0.894 173.922 174.700 0.194 0.000 1.113 433 T CA -0.860 61.344 62.100 0.173 0.000 1.008 433 T CB 1.458 70.444 68.868 0.196 0.000 1.259 433 T HN 0.564 nan 8.240 nan 0.000 0.520 434 D N -0.963 119.529 120.400 0.153 0.000 2.272 434 D HA 0.296 4.936 4.640 -0.000 0.000 0.247 434 D C 1.201 177.522 176.300 0.037 0.000 0.990 434 D CA -0.639 53.393 54.000 0.053 0.000 0.931 434 D CB 2.051 42.865 40.800 0.023 0.000 1.195 434 D HN 0.680 nan 8.370 nan 0.000 0.477 435 Q N 0.293 119.946 119.800 -0.245 0.000 2.234 435 Q HA -0.163 4.176 4.340 -0.000 0.000 0.206 435 Q C 1.358 177.421 176.000 0.105 0.000 0.980 435 Q CA 1.987 57.640 55.803 -0.251 0.000 0.869 435 Q CB 0.020 28.517 28.738 -0.402 0.000 0.912 435 Q HN 0.727 nan 8.270 nan 0.000 0.436 436 T N -2.270 112.324 114.554 0.067 0.000 3.023 436 T HA -0.070 4.280 4.350 -0.000 0.000 0.266 436 T C 1.195 176.113 174.700 0.362 0.000 1.093 436 T CA 0.910 63.120 62.100 0.182 0.000 1.129 436 T CB -0.110 68.823 68.868 0.109 0.000 0.899 436 T HN 0.214 nan 8.240 nan 0.000 0.491 437 D N 1.104 121.678 120.400 0.291 0.000 2.218 437 D HA -0.032 4.608 4.640 -0.000 0.000 0.204 437 D C 1.914 178.424 176.300 0.351 0.000 0.976 437 D CA 0.553 54.753 54.000 0.333 0.000 0.853 437 D CB -0.157 40.776 40.800 0.222 0.000 0.939 437 D HN 0.271 nan 8.370 nan 0.000 0.481 438 L N 0.398 121.825 121.223 0.340 0.000 2.131 438 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 438 L C 1.961 178.989 176.870 0.264 0.000 1.092 438 L CA 1.228 56.243 54.840 0.292 0.000 0.759 438 L CB -0.756 41.505 42.059 0.337 0.000 0.903 438 L HN -0.061 nan 8.230 nan 0.000 0.435 439 F N -0.952 119.083 119.950 0.142 0.000 2.113 439 F HA -0.257 4.270 4.527 -0.001 0.000 0.297 439 F C 2.077 177.785 175.800 -0.153 0.000 1.103 439 F CA 1.641 59.614 58.000 -0.046 0.000 1.248 439 F CB -0.580 38.288 39.000 -0.222 0.000 0.999 439 F HN 0.123 nan 8.300 nan 0.000 0.475 440 Y N 0.542 120.937 120.300 0.157 0.000 2.224 440 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 440 Y C 2.709 178.565 175.900 -0.072 0.000 1.146 440 Y CA 1.911 60.022 58.100 0.019 0.000 1.182 440 Y CB -1.382 37.167 38.460 0.149 0.000 0.983 440 Y HN 0.035 nan 8.280 nan 0.000 0.524 441 T N 0.013 114.634 114.554 0.113 0.000 2.708 441 T HA -0.205 4.144 4.350 -0.000 0.000 0.266 441 T C 1.922 176.575 174.700 -0.078 0.000 1.037 441 T CA 1.695 63.819 62.100 0.040 0.000 1.146 441 T CB -0.307 68.615 68.868 0.089 0.000 0.865 441 T HN 0.300 nan 8.240 nan 0.000 0.435 442 M N 0.443 119.978 119.600 -0.109 0.000 2.200 442 M HA -0.006 4.474 4.480 -0.000 0.000 0.265 442 M C 2.409 178.561 176.300 -0.248 0.000 1.066 442 M CA 1.279 56.495 55.300 -0.140 0.000 1.127 442 M CB -0.317 32.237 32.600 -0.078 0.000 1.379 442 M HN 0.116 nan 8.290 nan 0.000 0.420 443 K N 0.925 121.088 120.400 -0.396 0.000 2.002 443 K HA -0.136 4.183 4.320 -0.000 0.000 0.209 443 K C 2.006 178.457 176.600 -0.249 0.000 1.048 443 K CA 1.631 57.672 56.287 -0.411 0.000 0.930 443 K CB -0.102 32.033 32.500 -0.608 0.000 0.714 443 K HN 0.253 nan 8.250 nan 0.000 0.438 444 A N 0.891 123.586 122.820 -0.207 0.000 1.933 444 A HA -0.082 4.237 4.320 -0.000 0.000 0.218 444 A C 2.297 179.669 177.584 -0.354 0.000 1.175 444 A CA 1.813 53.735 52.037 -0.191 0.000 0.628 444 A CB -0.776 18.157 19.000 -0.111 0.000 0.814 444 A HN 0.492 nan 8.150 nan 0.000 0.444 445 A N -0.365 122.173 122.820 -0.470 0.000 1.933 445 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 445 A C 1.979 179.381 177.584 -0.303 0.000 1.175 445 A CA 1.461 53.104 52.037 -0.656 0.000 0.628 445 A CB -0.512 18.241 19.000 -0.412 0.000 0.814 445 A HN 0.469 nan 8.150 nan 0.000 0.444 446 L N -0.956 120.147 121.223 -0.200 0.000 2.599 446 L HA 0.178 4.517 4.340 -0.000 0.000 0.230 446 L C 1.507 178.317 176.870 -0.101 0.000 1.141 446 L CA 0.420 55.187 54.840 -0.121 0.000 0.877 446 L CB -0.301 41.701 42.059 -0.095 0.000 1.009 446 L HN 0.568 nan 8.230 nan 0.000 0.447 447 G N 1.109 109.837 108.800 -0.120 0.000 2.246 447 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.273 447 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.273 447 G C 0.067 174.928 174.900 -0.064 0.000 1.055 447 G CA -0.146 44.909 45.100 -0.076 0.000 0.851 447 G HN 0.231 nan 8.290 nan 0.000 0.500 448 L N 0.357 121.526 121.223 -0.090 0.000 2.326 448 L HA 0.383 4.723 4.340 -0.000 0.000 0.278 448 L C 1.406 178.248 176.870 -0.048 0.000 1.092 448 L CA -0.743 54.052 54.840 -0.075 0.000 0.810 448 L CB 0.951 42.940 42.059 -0.118 0.000 1.153 448 L HN 0.468 nan 8.230 nan 0.000 0.439 449 K N 0.000 120.387 120.400 -0.021 0.000 2.780 449 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 449 K CA 0.000 56.288 56.287 0.003 0.000 0.838 449 K CB 0.000 32.505 32.500 0.008 0.000 1.064 449 K HN 0.000 nan 8.250 nan 0.000 0.543