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 2gh6_1_B DATA FIRST_RESID 2 DATA SEQUENCE AIGYVWNTLY GWVDTGTGSL AAANLTARMQ PISHHLAHPD TKRRFHELVC DATA SEQUENCE ASGQIEHLTP IAAVAATDAD ILRAHSAAHL ENMKRVSNLP TGGDTGDGIT DATA SEQUENCE MMGNGGLEIA RLSAGGAVEL TRRVATGELS AGYALVNPPG HHAPHNAAMG DATA SEQUENCE FCIFNNTSVA AGYARAVLGM ERVAILDWDV HHGNGTQDIW WNDPSVLTIS DATA SEQUENCE LHQHLCFPPD SGYSTERGAG NGHGYNINVP LPPGSGNAAY LHAMDQVVLP DATA SEQUENCE ALRAYRPQLI IVGSGFDASM LDPLARMMVT ADGFRQMARR TIDCAADICD DATA SEQUENCE GRIVFVQEGG YSPHYLPFCG LAVIEELTGV RSLPDPYHEF LAGMGGNTLL DATA SEQUENCE DAERAAIEEI VPLLADI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.640 177.584 0.094 0.000 1.274 2 A CA 0.000 52.083 52.037 0.077 0.000 0.836 2 A CB 0.000 19.039 19.000 0.066 0.000 0.831 3 I N 2.545 123.179 120.570 0.107 0.000 2.362 3 I HA 0.515 4.686 4.170 0.000 0.000 0.289 3 I C 0.990 177.201 176.117 0.157 0.000 0.994 3 I CA -0.261 61.120 61.300 0.135 0.000 1.158 3 I CB 1.025 39.105 38.000 0.133 0.000 1.315 3 I HN 0.743 nan 8.210 nan 0.000 0.451 4 G N 5.508 114.412 108.800 0.173 0.000 2.420 4 G HA2 0.370 4.330 3.960 0.000 0.000 0.284 4 G HA3 0.370 4.330 3.960 0.000 0.000 0.284 4 G C -1.627 173.445 174.900 0.287 0.000 1.177 4 G CA -0.107 45.105 45.100 0.187 0.000 0.841 4 G HN 0.545 nan 8.290 nan 0.000 0.527 5 Y N 1.412 121.787 120.300 0.125 0.000 2.396 5 Y HA 0.493 5.043 4.550 -0.000 0.000 0.332 5 Y C -1.088 174.905 175.900 0.156 0.000 1.034 5 Y CA -0.965 57.227 58.100 0.153 0.000 1.057 5 Y CB 1.940 40.473 38.460 0.122 0.000 1.220 5 Y HN 0.459 nan 8.280 nan 0.000 0.440 6 V N 6.610 126.294 119.914 -0.382 0.000 2.384 6 V HA 0.357 4.477 4.120 0.000 0.000 0.287 6 V C -0.975 174.911 176.094 -0.345 0.000 1.020 6 V CA -0.765 61.379 62.300 -0.260 0.000 0.850 6 V CB 1.451 33.245 31.823 -0.049 0.000 0.987 6 V HN 0.825 nan 8.190 nan 0.000 0.436 7 W N 5.832 126.851 121.300 -0.469 0.000 2.998 7 W HA 0.484 5.144 4.660 -0.000 0.000 0.335 7 W C -1.677 174.544 176.519 -0.496 0.000 1.110 7 W CA -0.613 56.494 57.345 -0.396 0.000 1.230 7 W CB 2.154 31.262 29.460 -0.587 0.000 1.405 7 W HN 0.582 nan 8.180 nan 0.000 0.493 8 N N 2.765 120.426 118.700 -1.732 0.000 2.314 8 N HA 0.142 4.882 4.740 0.000 0.000 0.294 8 N C 0.735 175.144 175.510 -1.835 0.000 1.029 8 N CA -0.033 52.040 53.050 -1.629 0.000 0.845 8 N CB 2.174 39.623 38.487 -1.729 0.000 1.321 8 N HN 0.415 nan 8.380 nan 0.000 0.481 9 T N 3.085 117.021 114.554 -1.031 0.000 2.718 9 T HA -0.172 4.178 4.350 0.000 0.000 0.266 9 T C 1.838 176.049 174.700 -0.814 0.000 1.033 9 T CA 1.324 63.029 62.100 -0.660 0.000 1.151 9 T CB -0.036 68.552 68.868 -0.467 0.000 0.853 9 T HN 0.528 nan 8.240 nan 0.000 0.466 10 L N -0.559 120.113 121.223 -0.918 0.000 2.291 10 L HA -0.020 4.320 4.340 0.000 0.000 0.214 10 L C 2.201 178.873 176.870 -0.330 0.000 1.120 10 L CA 1.093 55.525 54.840 -0.680 0.000 0.799 10 L CB -0.643 41.097 42.059 -0.531 0.000 0.925 10 L HN 0.443 nan 8.230 nan 0.000 0.446 11 Y N -0.028 119.903 120.300 -0.616 0.000 2.298 11 Y HA -0.219 4.331 4.550 -0.000 0.000 0.287 11 Y C 2.409 178.191 175.900 -0.198 0.000 1.164 11 Y CA 0.329 58.117 58.100 -0.520 0.000 1.229 11 Y CB -0.355 37.531 38.460 -0.958 0.000 0.977 11 Y HN 0.257 nan 8.280 nan 0.000 0.538 12 G N -1.979 106.872 108.800 0.085 0.000 2.985 12 G HA2 -0.107 3.853 3.960 0.000 0.000 0.209 12 G HA3 -0.107 3.853 3.960 0.000 0.000 0.209 12 G C 0.467 175.636 174.900 0.449 0.000 1.165 12 G CA -0.114 45.238 45.100 0.419 0.000 0.776 12 G HN 0.359 nan 8.290 nan 0.000 0.541 13 W N 0.323 121.606 121.300 -0.029 0.000 3.127 13 W HA 0.398 5.059 4.660 0.001 0.000 0.344 13 W C 0.492 176.957 176.519 -0.091 0.000 1.151 13 W CA -1.437 55.874 57.345 -0.057 0.000 1.765 13 W CB -0.346 29.078 29.460 -0.059 0.000 1.085 13 W HN -0.213 nan 8.180 nan 0.000 0.596 14 V N 2.827 122.804 119.914 0.105 0.000 2.583 14 V HA -0.173 3.947 4.120 0.000 0.000 0.302 14 V C 0.352 176.387 176.094 -0.099 0.000 1.033 14 V CA 0.602 62.898 62.300 -0.007 0.000 1.194 14 V CB -0.124 31.677 31.823 -0.037 0.000 0.879 14 V HN -0.123 nan 8.190 nan 0.000 0.482 15 D N 4.144 124.488 120.400 -0.092 0.000 2.339 15 D HA 0.203 4.843 4.640 0.000 0.000 0.241 15 D C 1.140 177.334 176.300 -0.176 0.000 1.183 15 D CA 0.124 54.048 54.000 -0.126 0.000 0.859 15 D CB 1.346 42.098 40.800 -0.079 0.000 1.067 15 D HN 0.737 nan 8.370 nan 0.000 0.484 16 T N 0.550 114.964 114.554 -0.234 0.000 3.069 16 T HA 0.465 4.816 4.350 0.000 0.000 0.252 16 T C 1.151 175.707 174.700 -0.239 0.000 1.053 16 T CA 0.224 62.111 62.100 -0.355 0.000 0.964 16 T CB 0.168 68.764 68.868 -0.453 0.000 1.005 16 T HN 0.547 nan 8.240 nan 0.000 0.532 17 G N 1.773 110.511 108.800 -0.104 0.000 2.481 17 G HA2 -0.173 3.787 3.960 0.000 0.000 0.230 17 G HA3 -0.173 3.787 3.960 0.000 0.000 0.230 17 G C 0.555 175.472 174.900 0.029 0.000 1.210 17 G CA 0.667 45.749 45.100 -0.030 0.000 0.936 17 G HN 1.073 nan 8.290 nan 0.000 0.583 18 T N -1.788 112.801 114.554 0.058 0.000 3.087 18 T HA 0.609 4.959 4.350 0.000 0.000 0.283 18 T C 1.223 175.973 174.700 0.082 0.000 0.956 18 T CA 1.233 63.372 62.100 0.064 0.000 0.894 18 T CB 0.549 69.438 68.868 0.035 0.000 1.160 18 T HN 1.939 nan 8.240 nan 0.000 0.532 19 G N 0.741 109.612 108.800 0.119 0.000 2.588 19 G HA2 0.470 4.430 3.960 0.000 0.000 0.281 19 G HA3 0.470 4.430 3.960 0.000 0.000 0.281 19 G C 0.592 175.523 174.900 0.052 0.000 1.236 19 G CA -0.196 44.962 45.100 0.097 0.000 0.969 19 G HN 0.186 nan 8.290 nan 0.000 0.504 20 S N -1.278 114.380 115.700 -0.069 0.000 2.427 20 S HA 0.160 4.631 4.470 0.000 0.000 0.224 20 S C 1.332 175.596 174.600 -0.561 0.000 1.047 20 S CA 0.184 58.252 58.200 -0.221 0.000 0.953 20 S CB -0.043 63.093 63.200 -0.107 0.000 0.824 20 S HN 0.364 nan 8.310 nan 0.000 0.502 21 L N -0.885 120.164 121.223 -0.290 0.000 2.376 21 L HA 0.516 4.856 4.340 0.000 0.000 0.153 21 L C 0.546 177.523 176.870 0.178 0.000 1.272 21 L CA 0.612 55.378 54.840 -0.124 0.000 1.005 21 L CB -0.726 41.295 42.059 -0.064 0.000 2.027 21 L HN 0.243 nan 8.230 nan 0.000 0.495 22 A N 0.882 123.757 122.820 0.092 0.000 2.251 22 A HA 0.626 4.946 4.320 0.000 0.000 0.278 22 A C 0.464 178.109 177.584 0.102 0.000 1.206 22 A CA 0.405 52.503 52.037 0.101 0.000 0.822 22 A CB -0.222 18.810 19.000 0.054 0.000 1.187 22 A HN 0.469 nan 8.150 nan 0.000 0.504 23 A N -0.866 122.000 122.820 0.078 0.000 2.448 23 A HA 0.514 4.834 4.320 0.000 0.000 0.239 23 A C 0.910 178.522 177.584 0.046 0.000 1.080 23 A CA 0.194 52.269 52.037 0.064 0.000 0.779 23 A CB -0.687 18.338 19.000 0.043 0.000 1.026 23 A HN 2.248 nan 8.150 nan 0.000 0.499 24 A N 1.016 123.862 122.820 0.043 0.000 2.561 24 A HA 0.378 4.698 4.320 0.000 0.000 0.234 24 A C 0.342 177.941 177.584 0.024 0.000 1.055 24 A CA 0.726 52.781 52.037 0.030 0.000 0.756 24 A CB -0.370 18.647 19.000 0.028 0.000 0.986 24 A HN 0.991 nan 8.150 nan 0.000 0.505 25 N N 1.277 119.988 118.700 0.019 0.000 2.549 25 N HA 0.344 5.084 4.740 0.000 0.000 0.290 25 N C 0.239 175.756 175.510 0.013 0.000 1.122 25 N CA -0.635 52.425 53.050 0.016 0.000 0.885 25 N CB 0.873 39.370 38.487 0.016 0.000 1.455 25 N HN 0.402 nan 8.380 nan 0.000 0.521 26 L N 2.683 123.913 121.223 0.011 0.000 2.017 26 L HA -0.058 4.282 4.340 0.000 0.000 0.208 26 L C 2.367 179.242 176.870 0.009 0.000 1.073 26 L CA 2.274 57.120 54.840 0.010 0.000 0.745 26 L CB -0.865 41.199 42.059 0.009 0.000 0.894 26 L HN 0.860 nan 8.230 nan 0.000 0.432 27 T N -3.912 110.647 114.554 0.009 0.000 2.951 27 T HA -0.002 4.348 4.350 0.000 0.000 0.268 27 T C 1.721 176.426 174.700 0.008 0.000 1.073 27 T CA 0.746 62.850 62.100 0.008 0.000 1.134 27 T CB -0.492 68.380 68.868 0.007 0.000 0.884 27 T HN 0.266 nan 8.240 nan 0.000 0.479 28 A N 1.100 123.925 122.820 0.009 0.000 2.123 28 A HA 0.270 4.590 4.320 0.000 0.000 0.214 28 A C 1.203 178.792 177.584 0.009 0.000 1.152 28 A CA -0.001 52.041 52.037 0.009 0.000 0.728 28 A CB -0.259 18.747 19.000 0.010 0.000 0.814 28 A HN 0.310 nan 8.150 nan 0.000 0.464 29 R N -1.786 118.720 120.500 0.009 0.000 3.532 29 R HA -0.144 4.196 4.340 0.000 0.000 0.284 29 R C -0.552 175.754 176.300 0.010 0.000 1.140 29 R CA 0.963 57.069 56.100 0.009 0.000 0.768 29 R CB -2.844 27.461 30.300 0.009 0.000 1.252 29 R HN 0.636 nan 8.270 nan 0.000 0.454 30 M N 1.265 120.872 119.600 0.011 0.000 2.557 30 M HA 0.094 4.574 4.480 0.000 0.000 0.328 30 M C 1.052 177.360 176.300 0.014 0.000 1.423 30 M CA 0.358 55.665 55.300 0.011 0.000 1.418 30 M CB 0.739 33.346 32.600 0.012 0.000 1.381 30 M HN 0.046 nan 8.290 nan 0.000 0.467 31 Q N 4.399 124.207 119.800 0.013 0.000 2.315 31 Q HA 0.145 4.485 4.340 0.000 0.000 0.289 31 Q C -2.134 173.877 176.000 0.019 0.000 1.044 31 Q CA -1.215 54.597 55.803 0.016 0.000 0.920 31 Q CB 0.572 29.319 28.738 0.015 0.000 1.214 31 Q HN 0.295 nan 8.270 nan 0.000 0.392 32 P HA 0.040 nan 4.420 nan 0.000 0.266 32 P C -0.898 176.422 177.300 0.032 0.000 1.193 32 P CA 0.380 63.497 63.100 0.028 0.000 0.770 32 P CB 0.458 32.173 31.700 0.024 0.000 0.836 33 I N 0.369 120.965 120.570 0.043 0.000 2.969 33 I HA 0.199 4.369 4.170 0.000 0.000 0.307 33 I C 1.155 177.315 176.117 0.072 0.000 1.149 33 I CA -0.530 60.803 61.300 0.055 0.000 1.008 33 I CB 2.146 40.178 38.000 0.053 0.000 1.232 33 I HN 0.362 nan 8.210 nan 0.000 0.435 34 S N 2.719 118.476 115.700 0.095 0.000 2.436 34 S HA 0.035 4.505 4.470 0.000 0.000 0.228 34 S C 0.321 174.926 174.600 0.010 0.000 1.014 34 S CA 0.742 58.989 58.200 0.078 0.000 0.950 34 S CB -0.299 62.975 63.200 0.124 0.000 0.784 34 S HN 0.688 nan 8.310 nan 0.000 0.504 35 H N 0.961 120.035 119.070 0.006 0.000 2.685 35 H HA 0.498 5.054 4.556 -0.000 0.000 0.307 35 H C -0.394 175.002 175.328 0.114 0.000 1.017 35 H CA -0.790 55.264 56.048 0.010 0.000 1.237 35 H CB 0.469 30.150 29.762 -0.135 0.000 1.409 35 H HN 0.458 nan 8.280 nan 0.000 0.488 36 H N 2.243 121.409 119.070 0.160 0.000 2.929 36 H HA -0.039 4.517 4.556 0.000 0.000 0.358 36 H C 1.042 176.440 175.328 0.116 0.000 1.111 36 H CA 0.139 56.240 56.048 0.089 0.000 1.409 36 H CB 0.890 30.659 29.762 0.011 0.000 1.373 36 H HN 0.686 nan 8.280 nan 0.000 0.610 37 L N 2.911 123.995 121.223 -0.232 0.000 2.051 37 L HA -0.242 4.098 4.340 0.000 0.000 0.214 37 L C 1.961 178.994 176.870 0.272 0.000 1.076 37 L CA 1.712 56.542 54.840 -0.017 0.000 0.758 37 L CB -0.451 41.498 42.059 -0.185 0.000 0.890 37 L HN 0.786 nan 8.230 nan 0.000 0.433 38 A N -2.168 120.875 122.820 0.371 0.000 2.462 38 A HA 0.036 4.357 4.320 0.000 0.000 0.261 38 A C 0.280 177.974 177.584 0.184 0.000 1.323 38 A CA -0.360 51.851 52.037 0.289 0.000 0.913 38 A CB -0.937 17.790 19.000 -0.454 0.000 1.028 38 A HN 0.410 nan 8.150 nan 0.000 0.511 39 H N 1.324 120.506 119.070 0.187 0.000 3.001 39 H HA 0.114 4.670 4.556 0.000 0.000 0.334 39 H C -1.197 174.209 175.328 0.131 0.000 1.034 39 H CA -0.375 55.742 56.048 0.116 0.000 1.420 39 H CB 1.059 30.916 29.762 0.159 0.000 1.405 39 H HN 0.133 nan 8.280 nan 0.000 0.593 40 P HA -0.133 nan 4.420 nan 0.000 0.228 40 P C 0.561 178.031 177.300 0.283 0.000 1.151 40 P CA 0.785 63.942 63.100 0.094 0.000 0.770 40 P CB 0.410 32.122 31.700 0.020 0.000 0.786 41 D N -0.121 120.564 120.400 0.475 0.000 2.149 41 D HA -0.123 4.517 4.640 0.000 0.000 0.198 41 D C 1.873 178.322 176.300 0.249 0.000 0.990 41 D CA 1.454 55.690 54.000 0.393 0.000 0.839 41 D CB -0.933 40.120 40.800 0.420 0.000 0.948 41 D HN 0.150 nan 8.370 nan 0.000 0.460 42 T N 0.784 115.478 114.554 0.234 0.000 2.665 42 T HA -0.168 4.182 4.350 0.000 0.000 0.268 42 T C 1.886 176.685 174.700 0.166 0.000 1.035 42 T CA 1.400 63.589 62.100 0.147 0.000 1.151 42 T CB -0.093 68.850 68.868 0.125 0.000 0.862 42 T HN 0.223 nan 8.240 nan 0.000 0.438 43 K N 0.363 120.897 120.400 0.223 0.000 2.167 43 K HA 0.073 4.393 4.320 0.000 0.000 0.203 43 K C 2.518 179.208 176.600 0.150 0.000 1.052 43 K CA 0.528 56.983 56.287 0.281 0.000 0.956 43 K CB -0.074 32.637 32.500 0.352 0.000 0.735 43 K HN 0.162 nan 8.250 nan 0.000 0.451 44 R N 1.527 122.130 120.500 0.172 0.000 2.081 44 R HA -0.095 4.246 4.340 0.000 0.000 0.235 44 R C 2.042 178.303 176.300 -0.066 0.000 1.131 44 R CA 1.358 57.450 56.100 -0.012 0.000 0.960 44 R CB 0.047 30.493 30.300 0.244 0.000 0.856 44 R HN 0.075 nan 8.270 nan 0.000 0.436 45 R N -0.521 119.998 120.500 0.033 0.000 2.120 45 R HA -0.143 4.197 4.340 0.000 0.000 0.234 45 R C 2.144 178.433 176.300 -0.019 0.000 1.123 45 R CA 1.356 57.457 56.100 0.001 0.000 0.975 45 R CB -0.406 29.907 30.300 0.022 0.000 0.866 45 R HN 0.231 nan 8.270 nan 0.000 0.446 46 F N 1.143 120.989 119.950 -0.173 0.000 2.113 46 F HA -0.188 4.339 4.527 -0.000 0.000 0.297 46 F C 2.243 177.897 175.800 -0.244 0.000 1.103 46 F CA 1.898 59.764 58.000 -0.224 0.000 1.248 46 F CB -1.024 37.887 39.000 -0.148 0.000 0.999 46 F HN 0.044 nan 8.300 nan 0.000 0.475 47 H N 0.308 119.100 119.070 -0.462 0.000 2.319 47 H HA -0.133 4.423 4.556 -0.000 0.000 0.299 47 H C 2.082 177.169 175.328 -0.402 0.000 1.092 47 H CA 2.550 58.224 56.048 -0.624 0.000 1.302 47 H CB -0.432 28.525 29.762 -1.341 0.000 1.373 47 H HN 0.450 nan 8.280 nan 0.000 0.497 48 E N -0.507 119.408 120.200 -0.474 0.000 2.153 48 E HA -0.138 4.212 4.350 0.000 0.000 0.194 48 E C 2.157 178.572 176.600 -0.309 0.000 0.988 48 E CA 0.977 57.147 56.400 -0.383 0.000 0.811 48 E CB -0.089 29.509 29.700 -0.169 0.000 0.746 48 E HN 0.395 nan 8.360 nan 0.000 0.466 49 L N 0.594 121.663 121.223 -0.256 0.000 2.109 49 L HA -0.117 4.223 4.340 0.000 0.000 0.207 49 L C 2.183 178.904 176.870 -0.249 0.000 1.086 49 L CA 1.147 55.838 54.840 -0.247 0.000 0.760 49 L CB -0.229 41.631 42.059 -0.331 0.000 0.910 49 L HN -0.103 nan 8.230 nan 0.000 0.437 50 V N -0.737 119.012 119.914 -0.275 0.000 2.282 50 V HA -0.404 3.716 4.120 0.000 0.000 0.249 50 V C 2.616 178.506 176.094 -0.341 0.000 1.057 50 V CA 2.112 64.214 62.300 -0.330 0.000 1.032 50 V CB -1.012 30.516 31.823 -0.491 0.000 0.645 50 V HN 0.659 nan 8.190 nan 0.000 0.447 51 C N 0.081 119.137 119.300 -0.407 0.000 2.453 51 C HA 0.004 4.464 4.460 0.000 0.000 0.277 51 C C 3.066 177.939 174.990 -0.196 0.000 1.262 51 C CA 0.613 59.450 59.018 -0.303 0.000 1.718 51 C CB -1.364 26.167 27.740 -0.348 0.000 2.031 51 C HN 0.628 nan 8.230 nan 0.000 0.480 52 A N 1.297 124.006 122.820 -0.185 0.000 2.014 52 A HA -0.100 4.220 4.320 0.000 0.000 0.218 52 A C 2.248 179.779 177.584 -0.087 0.000 1.163 52 A CA 1.930 53.897 52.037 -0.117 0.000 0.652 52 A CB -0.669 18.270 19.000 -0.101 0.000 0.808 52 A HN 0.707 nan 8.150 nan 0.000 0.449 53 S N -1.959 113.679 115.700 -0.103 0.000 2.453 53 S HA 0.305 4.775 4.470 0.000 0.000 0.231 53 S C 1.593 176.167 174.600 -0.042 0.000 1.005 53 S CA 1.265 59.427 58.200 -0.064 0.000 0.949 53 S CB -0.315 62.837 63.200 -0.081 0.000 0.774 53 S HN 1.854 nan 8.310 nan 0.000 0.510 54 G N 0.518 109.280 108.800 -0.063 0.000 2.194 54 G HA2 -0.279 3.681 3.960 0.000 0.000 0.236 54 G HA3 -0.279 3.681 3.960 0.000 0.000 0.236 54 G C 0.893 175.792 174.900 -0.003 0.000 0.987 54 G CA 0.350 45.427 45.100 -0.039 0.000 0.635 54 G HN 0.354 nan 8.290 nan 0.000 0.520 55 Q N -0.104 119.683 119.800 -0.022 0.000 2.112 55 Q HA -0.099 4.241 4.340 0.000 0.000 0.206 55 Q C 2.603 178.569 176.000 -0.057 0.000 0.987 55 Q CA 1.761 57.566 55.803 0.003 0.000 0.858 55 Q CB -0.329 28.344 28.738 -0.107 0.000 0.905 55 Q HN 0.773 nan 8.270 nan 0.000 0.420 56 I N 1.522 121.989 120.570 -0.172 0.000 2.236 56 I HA -0.279 3.891 4.170 0.000 0.000 0.249 56 I C 1.623 177.662 176.117 -0.130 0.000 1.102 56 I CA 1.553 62.736 61.300 -0.194 0.000 1.365 56 I CB -0.113 37.775 38.000 -0.188 0.000 1.051 56 I HN 0.053 nan 8.210 nan 0.000 0.420 57 E N -0.203 119.894 120.200 -0.172 0.000 2.333 57 E HA -0.170 4.180 4.350 0.000 0.000 0.198 57 E C 1.612 177.980 176.600 -0.386 0.000 1.007 57 E CA 1.047 57.281 56.400 -0.277 0.000 0.845 57 E CB -0.344 29.139 29.700 -0.360 0.000 0.766 57 E HN 0.636 nan 8.360 nan 0.000 0.507 58 H N -1.323 117.719 119.070 -0.047 0.000 2.549 58 H HA 0.256 4.812 4.556 0.000 0.000 0.279 58 H C 0.147 175.466 175.328 -0.015 0.000 1.018 58 H CA 0.013 56.045 56.048 -0.027 0.000 1.175 58 H CB 0.629 30.372 29.762 -0.031 0.000 1.485 58 H HN 0.055 nan 8.280 nan 0.000 0.543 59 L N 0.654 121.902 121.223 0.043 0.000 2.333 59 L HA 0.338 4.678 4.340 0.000 0.000 0.269 59 L C 0.135 177.051 176.870 0.076 0.000 1.010 59 L CA -0.704 54.172 54.840 0.060 0.000 0.818 59 L CB 2.160 44.218 42.059 -0.002 0.000 1.306 59 L HN -0.152 nan 8.230 nan 0.000 0.430 60 T N 2.126 116.749 114.554 0.116 0.000 2.832 60 T HA 0.310 4.660 4.350 0.000 0.000 0.313 60 T C -2.507 172.285 174.700 0.154 0.000 1.035 60 T CA -1.264 60.901 62.100 0.108 0.000 0.950 60 T CB 0.867 69.789 68.868 0.091 0.000 0.984 60 T HN 0.214 nan 8.240 nan 0.000 0.486 61 P HA 0.186 nan 4.420 nan 0.000 0.267 61 P C -0.654 176.709 177.300 0.104 0.000 1.209 61 P CA -0.325 62.885 63.100 0.183 0.000 0.763 61 P CB 0.363 32.163 31.700 0.167 0.000 0.816 62 I N 2.722 123.341 120.570 0.081 0.000 2.382 62 I HA 0.345 4.515 4.170 0.000 0.000 0.286 62 I C 0.536 176.646 176.117 -0.011 0.000 1.002 62 I CA -1.441 59.879 61.300 0.033 0.000 1.135 62 I CB 0.981 39.004 38.000 0.038 0.000 1.288 62 I HN 0.302 nan 8.210 nan 0.000 0.448 63 A N 5.383 128.186 122.820 -0.028 0.000 2.488 63 A HA 0.570 4.891 4.320 0.000 0.000 0.249 63 A C 0.715 178.250 177.584 -0.082 0.000 1.083 63 A CA -0.220 51.775 52.037 -0.071 0.000 0.768 63 A CB 0.157 19.117 19.000 -0.067 0.000 1.017 63 A HN 0.883 nan 8.150 nan 0.000 0.496 64 A N 2.447 125.195 122.820 -0.121 0.000 2.462 64 A HA 0.494 4.814 4.320 0.000 0.000 0.243 64 A C 0.092 177.615 177.584 -0.101 0.000 1.076 64 A CA -0.040 51.937 52.037 -0.099 0.000 0.773 64 A CB 0.044 18.975 19.000 -0.114 0.000 1.010 64 A HN 1.117 nan 8.150 nan 0.000 0.493 65 V N 1.861 121.727 119.914 -0.081 0.000 2.555 65 V HA 0.550 4.670 4.120 0.000 0.000 0.302 65 V C 0.765 176.817 176.094 -0.070 0.000 1.038 65 V CA -0.381 61.873 62.300 -0.078 0.000 0.887 65 V CB 1.422 33.200 31.823 -0.074 0.000 0.991 65 V HN 1.222 nan 8.190 nan 0.000 0.434 66 A N 3.851 126.632 122.820 -0.066 0.000 2.524 66 A HA 0.573 4.893 4.320 0.000 0.000 0.250 66 A C 0.819 178.370 177.584 -0.055 0.000 1.078 66 A CA 0.417 52.422 52.037 -0.052 0.000 0.761 66 A CB -0.078 18.891 19.000 -0.051 0.000 1.012 66 A HN 1.465 nan 8.150 nan 0.000 0.500 67 A N 3.657 126.443 122.820 -0.056 0.000 2.520 67 A HA 0.494 4.814 4.320 0.000 0.000 0.245 67 A C 1.063 178.596 177.584 -0.085 0.000 1.072 67 A CA 0.511 52.502 52.037 -0.077 0.000 0.761 67 A CB -0.418 18.524 19.000 -0.096 0.000 1.004 67 A HN 1.496 nan 8.150 nan 0.000 0.499 68 T N 0.251 114.763 114.554 -0.070 0.000 2.874 68 T HA 0.292 4.642 4.350 0.000 0.000 0.281 68 T C 0.526 175.170 174.700 -0.092 0.000 0.994 68 T CA -0.100 61.962 62.100 -0.063 0.000 1.015 68 T CB 0.705 69.554 68.868 -0.031 0.000 1.028 68 T HN 0.530 nan 8.240 nan 0.000 0.523 69 D N 1.292 121.642 120.400 -0.083 0.000 2.126 69 D HA -0.160 4.480 4.640 0.000 0.000 0.190 69 D C 2.329 178.587 176.300 -0.071 0.000 1.001 69 D CA 2.082 56.027 54.000 -0.092 0.000 0.841 69 D CB -0.870 39.896 40.800 -0.058 0.000 0.949 69 D HN 0.779 nan 8.370 nan 0.000 0.446 70 A N 0.858 123.657 122.820 -0.036 0.000 1.972 70 A HA -0.192 4.128 4.320 0.000 0.000 0.219 70 A C 1.820 179.406 177.584 0.004 0.000 1.169 70 A CA 1.704 53.735 52.037 -0.010 0.000 0.635 70 A CB -0.328 18.675 19.000 0.005 0.000 0.810 70 A HN 0.080 nan 8.150 nan 0.000 0.446 71 D N 0.109 120.507 120.400 -0.003 0.000 2.097 71 D HA -0.120 4.520 4.640 0.000 0.000 0.195 71 D C 1.827 178.119 176.300 -0.013 0.000 0.989 71 D CA 1.338 55.351 54.000 0.021 0.000 0.827 71 D CB -0.333 40.464 40.800 -0.005 0.000 0.966 71 D HN 0.514 nan 8.370 nan 0.000 0.456 72 I N 0.724 121.227 120.570 -0.111 0.000 2.361 72 I HA -0.211 3.959 4.170 0.000 0.000 0.251 72 I C 2.266 178.368 176.117 -0.025 0.000 1.133 72 I CA 0.577 61.774 61.300 -0.170 0.000 1.413 72 I CB -0.074 37.601 38.000 -0.542 0.000 1.073 72 I HN -0.056 nan 8.210 nan 0.000 0.424 73 L N 0.062 121.272 121.223 -0.022 0.000 2.465 73 L HA -0.078 4.262 4.340 0.000 0.000 0.224 73 L C 2.453 179.346 176.870 0.037 0.000 1.145 73 L CA 0.686 55.535 54.840 0.015 0.000 0.834 73 L CB -0.456 41.608 42.059 0.007 0.000 0.944 73 L HN 0.166 nan 8.230 nan 0.000 0.451 74 R N -0.177 120.348 120.500 0.040 0.000 2.189 74 R HA -0.036 4.304 4.340 0.000 0.000 0.223 74 R C 1.878 178.177 176.300 -0.001 0.000 1.092 74 R CA 1.157 57.288 56.100 0.052 0.000 0.989 74 R CB -0.063 30.298 30.300 0.102 0.000 0.876 74 R HN 0.345 nan 8.270 nan 0.000 0.457 75 A N -0.627 122.166 122.820 -0.045 0.000 2.138 75 A HA 0.166 4.486 4.320 0.000 0.000 0.203 75 A C -0.014 177.350 177.584 -0.367 0.000 1.286 75 A CA -0.000 51.879 52.037 -0.262 0.000 0.929 75 A CB 0.340 19.178 19.000 -0.270 0.000 0.975 75 A HN 0.201 nan 8.150 nan 0.000 0.480 76 H N -0.373 118.670 119.070 -0.045 0.000 2.797 76 H HA 0.526 5.082 4.556 0.000 0.000 0.372 76 H C 0.179 175.260 175.328 -0.412 0.000 1.168 76 H CA -0.023 55.861 56.048 -0.274 0.000 1.163 76 H CB 1.685 31.467 29.762 0.033 0.000 1.778 76 H HN 0.248 nan 8.280 nan 0.000 0.551 77 S N 0.672 116.027 115.700 -0.575 0.000 2.585 77 S HA 0.272 4.742 4.470 0.000 0.000 0.273 77 S C 1.468 176.060 174.600 -0.014 0.000 1.339 77 S CA -0.283 57.778 58.200 -0.233 0.000 1.028 77 S CB 1.353 64.442 63.200 -0.186 0.000 0.906 77 S HN 0.834 nan 8.310 nan 0.000 0.528 78 A N 2.783 125.610 122.820 0.011 0.000 1.917 78 A HA 0.026 4.346 4.320 0.000 0.000 0.219 78 A C 2.421 180.017 177.584 0.020 0.000 1.182 78 A CA 2.057 54.103 52.037 0.015 0.000 0.633 78 A CB -1.700 17.309 19.000 0.015 0.000 0.819 78 A HN 1.421 nan 8.150 nan 0.000 0.448 79 A N -1.081 121.757 122.820 0.030 0.000 1.902 79 A HA -0.178 4.142 4.320 0.000 0.000 0.217 79 A C 2.029 179.646 177.584 0.055 0.000 1.181 79 A CA 2.191 54.249 52.037 0.035 0.000 0.623 79 A CB -0.867 18.155 19.000 0.038 0.000 0.818 79 A HN 0.770 nan 8.150 nan 0.000 0.443 80 H N -0.426 118.634 119.070 -0.016 0.000 2.290 80 H HA -0.121 4.435 4.556 0.000 0.000 0.298 80 H C 1.809 177.167 175.328 0.051 0.000 1.087 80 H CA 1.903 57.951 56.048 -0.000 0.000 1.291 80 H CB -0.448 29.310 29.762 -0.006 0.000 1.369 80 H HN 0.288 nan 8.280 nan 0.000 0.492 81 L N 0.811 121.993 121.223 -0.068 0.000 1.990 81 L HA -0.178 4.162 4.340 0.000 0.000 0.213 81 L C 2.158 178.988 176.870 -0.066 0.000 1.072 81 L CA 2.065 56.870 54.840 -0.058 0.000 0.755 81 L CB -0.857 41.178 42.059 -0.040 0.000 0.889 81 L HN 0.299 nan 8.230 nan 0.000 0.432 82 E N -0.194 119.980 120.200 -0.044 0.000 2.058 82 E HA -0.269 4.081 4.350 0.000 0.000 0.194 82 E C 2.143 178.713 176.600 -0.050 0.000 0.997 82 E CA 1.443 57.822 56.400 -0.035 0.000 0.801 82 E CB -0.613 29.077 29.700 -0.017 0.000 0.746 82 E HN 0.577 nan 8.360 nan 0.000 0.450 83 N N -0.033 118.629 118.700 -0.063 0.000 2.104 83 N HA -0.150 4.590 4.740 0.000 0.000 0.190 83 N C 1.627 177.071 175.510 -0.110 0.000 1.024 83 N CA 1.327 54.337 53.050 -0.068 0.000 0.853 83 N CB -0.100 38.365 38.487 -0.037 0.000 1.008 83 N HN 0.031 nan 8.380 nan 0.000 0.424 84 M N 0.604 120.085 119.600 -0.199 0.000 2.159 84 M HA -0.070 4.410 4.480 0.000 0.000 0.263 84 M C 1.776 178.014 176.300 -0.102 0.000 1.063 84 M CA 1.339 56.510 55.300 -0.216 0.000 1.110 84 M CB -0.848 31.533 32.600 -0.364 0.000 1.374 84 M HN 0.160 nan 8.290 nan 0.000 0.411 85 K N -0.617 119.749 120.400 -0.056 0.000 2.057 85 K HA -0.140 4.180 4.320 0.000 0.000 0.207 85 K C 2.197 178.776 176.600 -0.034 0.000 1.049 85 K CA 1.052 57.321 56.287 -0.030 0.000 0.931 85 K CB -0.195 32.294 32.500 -0.018 0.000 0.714 85 K HN 0.244 nan 8.250 nan 0.000 0.440 86 R N 1.042 121.519 120.500 -0.039 0.000 2.083 86 R HA -0.146 4.194 4.340 0.000 0.000 0.237 86 R C 2.107 178.387 176.300 -0.033 0.000 1.137 86 R CA 1.538 57.619 56.100 -0.032 0.000 0.951 86 R CB -0.296 29.987 30.300 -0.029 0.000 0.851 86 R HN 0.002 nan 8.270 nan 0.000 0.434 87 V N 0.156 120.044 119.914 -0.045 0.000 2.295 87 V HA -0.230 3.890 4.120 0.000 0.000 0.246 87 V C 2.357 178.427 176.094 -0.041 0.000 1.049 87 V CA 2.146 64.420 62.300 -0.044 0.000 1.024 87 V CB -0.562 31.227 31.823 -0.056 0.000 0.648 87 V HN 0.442 nan 8.190 nan 0.000 0.447 88 S N -0.410 115.262 115.700 -0.046 0.000 2.419 88 S HA -0.200 4.270 4.470 0.000 0.000 0.233 88 S C 1.893 176.478 174.600 -0.025 0.000 1.016 88 S CA 1.525 59.702 58.200 -0.037 0.000 0.974 88 S CB -0.554 62.624 63.200 -0.037 0.000 0.786 88 S HN 0.650 nan 8.310 nan 0.000 0.492 89 N N 0.365 119.050 118.700 -0.023 0.000 2.416 89 N HA 0.089 4.829 4.740 0.000 0.000 0.177 89 N C 0.003 175.504 175.510 -0.016 0.000 1.036 89 N CA 0.038 53.078 53.050 -0.018 0.000 0.901 89 N CB -0.033 38.444 38.487 -0.017 0.000 0.976 89 N HN 0.410 nan 8.380 nan 0.000 0.444 90 L N 2.092 123.305 121.223 -0.018 0.000 2.559 90 L HA -0.023 4.317 4.340 0.000 0.000 0.282 90 L C -1.172 175.690 176.870 -0.014 0.000 1.232 90 L CA -0.983 53.847 54.840 -0.015 0.000 0.885 90 L CB 0.035 42.084 42.059 -0.017 0.000 1.131 90 L HN -0.045 nan 8.230 nan 0.000 0.498 91 P HA -0.190 nan 4.420 nan 0.000 0.218 91 P C 0.911 178.205 177.300 -0.010 0.000 1.154 91 P CA 1.667 64.762 63.100 -0.009 0.000 0.872 91 P CB 0.048 31.743 31.700 -0.008 0.000 0.790 92 T N -5.721 108.825 114.554 -0.012 0.000 3.252 92 T HA 0.586 4.936 4.350 0.000 0.000 0.286 92 T C 0.913 175.602 174.700 -0.018 0.000 1.013 92 T CA -0.051 62.040 62.100 -0.014 0.000 0.914 92 T CB -0.200 68.660 68.868 -0.013 0.000 1.131 92 T HN 0.338 nan 8.240 nan 0.000 0.529 93 G N 0.720 109.508 108.800 -0.019 0.000 2.547 93 G HA2 0.272 4.232 3.960 0.000 0.000 0.271 93 G HA3 0.272 4.232 3.960 0.000 0.000 0.271 93 G C 0.266 175.151 174.900 -0.024 0.000 1.209 93 G CA -0.052 45.033 45.100 -0.025 0.000 0.959 93 G HN 1.917 nan 8.290 nan 0.000 0.563 94 G N -1.132 107.651 108.800 -0.028 0.000 2.347 94 G HA2 0.496 4.456 3.960 0.000 0.000 0.224 94 G HA3 0.496 4.456 3.960 0.000 0.000 0.224 94 G C -1.137 173.749 174.900 -0.023 0.000 1.318 94 G CA 0.727 45.813 45.100 -0.023 0.000 1.016 94 G HN 1.844 nan 8.290 nan 0.000 0.469 95 D N 0.082 120.473 120.400 -0.014 0.000 2.264 95 D HA 0.498 5.138 4.640 0.000 0.000 0.250 95 D C 1.678 177.972 176.300 -0.011 0.000 1.113 95 D CA 0.677 54.672 54.000 -0.007 0.000 0.871 95 D CB 1.436 42.237 40.800 0.002 0.000 1.167 95 D HN 0.701 nan 8.370 nan 0.000 0.447 96 T N 0.664 115.211 114.554 -0.010 0.000 3.129 96 T HA 0.354 4.704 4.350 0.000 0.000 0.251 96 T C 1.328 176.030 174.700 0.003 0.000 1.117 96 T CA 0.447 62.538 62.100 -0.015 0.000 1.034 96 T CB 0.131 68.984 68.868 -0.026 0.000 0.968 96 T HN 0.639 nan 8.240 nan 0.000 0.526 97 G N 2.070 110.874 108.800 0.006 0.000 3.134 97 G HA2 -0.155 3.805 3.960 0.000 0.000 0.195 97 G HA3 -0.155 3.805 3.960 0.000 0.000 0.195 97 G C 0.553 175.459 174.900 0.009 0.000 1.054 97 G CA 0.403 45.508 45.100 0.009 0.000 0.828 97 G HN 0.598 nan 8.290 nan 0.000 0.462 98 D N 0.778 121.187 120.400 0.014 0.000 2.398 98 D HA 0.384 5.024 4.640 0.000 0.000 0.210 98 D C 1.810 178.124 176.300 0.023 0.000 1.094 98 D CA 0.857 54.867 54.000 0.016 0.000 0.839 98 D CB -0.202 40.609 40.800 0.018 0.000 0.963 98 D HN 1.576 nan 8.370 nan 0.000 0.506 99 G N 1.485 110.301 108.800 0.026 0.000 2.189 99 G HA2 -0.352 3.608 3.960 0.000 0.000 0.267 99 G HA3 -0.352 3.608 3.960 0.000 0.000 0.267 99 G C 0.938 175.874 174.900 0.059 0.000 0.975 99 G CA 0.844 45.965 45.100 0.035 0.000 0.644 99 G HN 0.697 nan 8.290 nan 0.000 0.537 100 I N -3.513 117.101 120.570 0.073 0.000 4.403 100 I HA 0.422 4.592 4.170 0.000 0.000 0.331 100 I C 0.271 176.512 176.117 0.206 0.000 1.327 100 I CA 0.266 61.656 61.300 0.149 0.000 1.175 100 I CB 0.888 38.968 38.000 0.133 0.000 1.165 100 I HN -0.049 nan 8.210 nan 0.000 0.413 101 T N 3.011 117.639 114.554 0.124 0.000 2.770 101 T HA 0.616 4.966 4.350 0.000 0.000 0.297 101 T C -0.518 174.204 174.700 0.038 0.000 0.997 101 T CA -0.084 62.090 62.100 0.123 0.000 0.949 101 T CB 1.455 70.378 68.868 0.092 0.000 0.941 101 T HN 0.041 nan 8.240 nan 0.000 0.457 102 M N 3.317 122.918 119.600 0.001 0.000 2.662 102 M HA 0.698 5.178 4.480 0.000 0.000 0.310 102 M C -0.865 175.400 176.300 -0.059 0.000 1.204 102 M CA -0.723 54.554 55.300 -0.037 0.000 0.891 102 M CB 2.315 34.879 32.600 -0.059 0.000 1.732 102 M HN 0.581 nan 8.290 nan 0.000 0.467 103 M N 0.843 120.409 119.600 -0.058 0.000 2.326 103 M HA 0.681 5.161 4.480 0.000 0.000 0.292 103 M C -0.290 175.980 176.300 -0.049 0.000 1.081 103 M CA -0.451 54.812 55.300 -0.062 0.000 0.919 103 M CB 1.947 34.502 32.600 -0.075 0.000 1.634 103 M HN 0.763 nan 8.290 nan 0.000 0.451 104 G N 1.899 110.673 108.800 -0.043 0.000 2.651 104 G HA2 0.126 4.086 3.960 0.000 0.000 0.260 104 G HA3 0.126 4.086 3.960 0.000 0.000 0.260 104 G C -0.497 174.389 174.900 -0.024 0.000 1.216 104 G CA -0.576 44.505 45.100 -0.031 0.000 0.913 104 G HN 0.837 nan 8.290 nan 0.000 0.535 105 N N -0.467 118.223 118.700 -0.017 0.000 2.411 105 N HA 0.331 5.071 4.740 0.000 0.000 0.261 105 N C 1.335 176.842 175.510 -0.006 0.000 1.248 105 N CA 1.542 54.584 53.050 -0.012 0.000 0.885 105 N CB 0.316 38.798 38.487 -0.009 0.000 1.062 105 N HN 1.140 nan 8.380 nan 0.000 0.471 106 G N 2.077 110.871 108.800 -0.010 0.000 2.155 106 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 106 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 106 G C 0.921 175.817 174.900 -0.007 0.000 0.983 106 G CA 0.428 45.524 45.100 -0.007 0.000 0.676 106 G HN 0.874 nan 8.290 nan 0.000 0.528 107 G N -0.211 108.581 108.800 -0.014 0.000 2.598 107 G HA2 0.170 4.130 3.960 0.000 0.000 0.215 107 G HA3 0.170 4.130 3.960 0.000 0.000 0.215 107 G C 1.607 176.494 174.900 -0.022 0.000 1.131 107 G CA 1.254 46.343 45.100 -0.018 0.000 0.785 107 G HN 0.886 nan 8.290 nan 0.000 0.539 108 L N 0.753 121.966 121.223 -0.017 0.000 2.131 108 L HA 0.006 4.347 4.340 0.000 0.000 0.210 108 L C 2.435 179.329 176.870 0.040 0.000 1.092 108 L CA 2.160 57.009 54.840 0.015 0.000 0.759 108 L CB -0.393 41.681 42.059 0.026 0.000 0.903 108 L HN 0.422 nan 8.230 nan 0.000 0.435 109 E N -0.268 119.937 120.200 0.008 0.000 2.085 109 E HA -0.250 4.100 4.350 0.000 0.000 0.194 109 E C 2.138 178.734 176.600 -0.007 0.000 0.994 109 E CA 1.980 58.375 56.400 -0.008 0.000 0.801 109 E CB -0.188 29.492 29.700 -0.034 0.000 0.743 109 E HN 0.681 nan 8.360 nan 0.000 0.453 110 I N 0.532 121.100 120.570 -0.003 0.000 2.353 110 I HA -0.148 4.022 4.170 0.000 0.000 0.248 110 I C 2.604 178.758 176.117 0.061 0.000 1.119 110 I CA 0.741 62.050 61.300 0.015 0.000 1.417 110 I CB -0.369 37.639 38.000 0.013 0.000 1.078 110 I HN 0.116 nan 8.210 nan 0.000 0.421 111 A N 1.310 124.163 122.820 0.055 0.000 1.933 111 A HA -0.179 4.141 4.320 0.000 0.000 0.218 111 A C 2.442 180.160 177.584 0.224 0.000 1.175 111 A CA 1.375 53.476 52.037 0.107 0.000 0.628 111 A CB -0.532 18.480 19.000 0.020 0.000 0.814 111 A HN 0.313 nan 8.150 nan 0.000 0.444 112 R N -0.707 119.902 120.500 0.181 0.000 2.081 112 R HA -0.037 4.303 4.340 0.000 0.000 0.235 112 R C 2.020 178.351 176.300 0.053 0.000 1.131 112 R CA 1.456 57.614 56.100 0.096 0.000 0.960 112 R CB -0.495 29.828 30.300 0.037 0.000 0.856 112 R HN 0.502 nan 8.270 nan 0.000 0.436 113 L N -0.017 121.241 121.223 0.058 0.000 2.093 113 L HA -0.144 4.196 4.340 0.000 0.000 0.208 113 L C 2.687 179.672 176.870 0.192 0.000 1.085 113 L CA 0.987 55.869 54.840 0.070 0.000 0.755 113 L CB -0.379 41.680 42.059 0.000 0.000 0.904 113 L HN 0.204 nan 8.230 nan 0.000 0.435 114 S N -0.115 115.685 115.700 0.167 0.000 2.348 114 S HA -0.189 4.281 4.470 0.000 0.000 0.221 114 S C 2.138 176.716 174.600 -0.036 0.000 1.033 114 S CA 1.362 59.518 58.200 -0.073 0.000 1.010 114 S CB -0.109 62.993 63.200 -0.163 0.000 0.891 114 S HN 0.421 nan 8.310 nan 0.000 0.442 115 A N 0.593 123.436 122.820 0.038 0.000 1.930 115 A HA 0.189 4.509 4.320 0.000 0.000 0.217 115 A C 2.322 179.900 177.584 -0.010 0.000 1.175 115 A CA 1.649 53.710 52.037 0.039 0.000 0.627 115 A CB -1.496 17.558 19.000 0.090 0.000 0.815 115 A HN 0.645 nan 8.150 nan 0.000 0.443 116 G N -0.632 108.161 108.800 -0.012 0.000 2.422 116 G HA2 0.090 4.050 3.960 0.000 0.000 0.218 116 G HA3 0.090 4.050 3.960 0.000 0.000 0.218 116 G C 1.449 176.317 174.900 -0.054 0.000 1.140 116 G CA 1.153 46.223 45.100 -0.050 0.000 0.775 116 G HN 0.653 nan 8.290 nan 0.000 0.545 117 G N 1.137 109.934 108.800 -0.005 0.000 2.402 117 G HA2 0.062 4.022 3.960 0.000 0.000 0.216 117 G HA3 0.062 4.022 3.960 0.000 0.000 0.216 117 G C 2.038 176.915 174.900 -0.038 0.000 1.162 117 G CA 1.467 46.570 45.100 0.005 0.000 0.777 117 G HN 0.581 nan 8.290 nan 0.000 0.539 118 A N 0.223 123.011 122.820 -0.054 0.000 1.877 118 A HA 0.045 4.365 4.320 0.000 0.000 0.216 118 A C 2.623 180.155 177.584 -0.088 0.000 1.186 118 A CA 1.930 53.927 52.037 -0.066 0.000 0.620 118 A CB -0.747 18.218 19.000 -0.060 0.000 0.822 118 A HN 0.257 nan 8.150 nan 0.000 0.443 119 V N 0.163 120.002 119.914 -0.126 0.000 2.255 119 V HA -0.275 3.845 4.120 0.000 0.000 0.247 119 V C 2.645 178.559 176.094 -0.301 0.000 1.051 119 V CA 2.553 64.696 62.300 -0.262 0.000 1.018 119 V CB -0.801 30.809 31.823 -0.355 0.000 0.641 119 V HN 0.767 nan 8.190 nan 0.000 0.445 120 E N 0.252 120.325 120.200 -0.211 0.000 2.110 120 E HA -0.230 4.120 4.350 0.000 0.000 0.193 120 E C 1.913 178.460 176.600 -0.088 0.000 0.988 120 E CA 1.392 57.697 56.400 -0.159 0.000 0.804 120 E CB -0.423 29.213 29.700 -0.106 0.000 0.745 120 E HN 0.432 nan 8.360 nan 0.000 0.458 121 L N 0.130 121.318 121.223 -0.058 0.000 2.093 121 L HA -0.069 4.271 4.340 0.000 0.000 0.208 121 L C 2.131 178.998 176.870 -0.005 0.000 1.085 121 L CA 2.114 56.947 54.840 -0.011 0.000 0.755 121 L CB -0.875 41.189 42.059 0.008 0.000 0.904 121 L HN 0.139 nan 8.230 nan 0.000 0.435 122 T N -0.515 114.019 114.554 -0.033 0.000 2.777 122 T HA -0.199 4.151 4.350 0.000 0.000 0.266 122 T C 1.976 176.703 174.700 0.045 0.000 1.040 122 T CA 1.515 63.615 62.100 0.001 0.000 1.141 122 T CB -0.233 68.635 68.868 0.000 0.000 0.868 122 T HN 0.337 nan 8.240 nan 0.000 0.444 123 R N 0.990 121.498 120.500 0.013 0.000 2.094 123 R HA -0.084 4.257 4.340 0.000 0.000 0.239 123 R C 2.471 178.817 176.300 0.076 0.000 1.137 123 R CA 1.482 57.642 56.100 0.100 0.000 0.943 123 R CB -0.047 30.266 30.300 0.021 0.000 0.850 123 R HN 0.301 nan 8.270 nan 0.000 0.433 124 R N -0.231 120.293 120.500 0.040 0.000 2.193 124 R HA -0.006 4.334 4.340 0.000 0.000 0.213 124 R C 2.216 178.547 176.300 0.051 0.000 1.055 124 R CA 0.874 57.000 56.100 0.044 0.000 0.995 124 R CB -0.001 30.320 30.300 0.035 0.000 0.893 124 R HN 0.156 nan 8.270 nan 0.000 0.459 125 V N 1.233 121.179 119.914 0.054 0.000 2.307 125 V HA -0.186 3.934 4.120 0.000 0.000 0.245 125 V C 2.490 178.615 176.094 0.052 0.000 1.045 125 V CA 2.007 64.342 62.300 0.057 0.000 1.024 125 V CB -0.615 31.243 31.823 0.059 0.000 0.651 125 V HN 0.332 nan 8.190 nan 0.000 0.449 126 A N 0.681 123.534 122.820 0.056 0.000 1.969 126 A HA -0.201 4.119 4.320 0.000 0.000 0.218 126 A C 2.451 180.062 177.584 0.045 0.000 1.169 126 A CA 2.177 54.244 52.037 0.051 0.000 0.635 126 A CB -0.936 18.102 19.000 0.062 0.000 0.810 126 A HN 0.642 nan 8.150 nan 0.000 0.445 127 T N -3.788 110.797 114.554 0.052 0.000 2.929 127 T HA 0.237 4.587 4.350 0.000 0.000 0.271 127 T C 1.593 176.314 174.700 0.035 0.000 1.085 127 T CA 1.483 63.609 62.100 0.042 0.000 1.125 127 T CB -0.467 68.428 68.868 0.045 0.000 0.874 127 T HN 1.757 nan 8.240 nan 0.000 0.494 128 G N 0.904 109.727 108.800 0.038 0.000 2.176 128 G HA2 -0.318 3.642 3.960 0.000 0.000 0.253 128 G HA3 -0.318 3.642 3.960 0.000 0.000 0.253 128 G C 0.593 175.516 174.900 0.039 0.000 0.979 128 G CA 0.711 45.833 45.100 0.036 0.000 0.641 128 G HN 0.646 nan 8.290 nan 0.000 0.530 129 E N -0.399 119.826 120.200 0.041 0.000 2.110 129 E HA 0.077 4.428 4.350 0.000 0.000 0.193 129 E C 0.971 177.600 176.600 0.048 0.000 0.988 129 E CA 0.681 57.105 56.400 0.041 0.000 0.804 129 E CB -0.047 29.677 29.700 0.040 0.000 0.745 129 E HN 0.618 nan 8.360 nan 0.000 0.458 130 L N 0.036 121.292 121.223 0.055 0.000 2.341 130 L HA 0.224 4.564 4.340 0.000 0.000 0.267 130 L C 1.142 178.054 176.870 0.069 0.000 1.009 130 L CA -0.455 54.425 54.840 0.067 0.000 0.819 130 L CB 2.024 44.130 42.059 0.078 0.000 1.323 130 L HN -0.033 nan 8.230 nan 0.000 0.425 131 S N 0.208 115.955 115.700 0.078 0.000 2.458 131 S HA 0.455 4.925 4.470 0.000 0.000 0.223 131 S C 0.531 175.189 174.600 0.097 0.000 1.019 131 S CA 0.351 58.599 58.200 0.079 0.000 0.937 131 S CB 0.307 63.553 63.200 0.077 0.000 0.788 131 S HN 0.776 nan 8.310 nan 0.000 0.511 132 A N -0.714 122.178 122.820 0.120 0.000 2.511 132 A HA 0.807 5.127 4.320 0.000 0.000 0.293 132 A C -0.337 177.358 177.584 0.184 0.000 1.098 132 A CA -0.375 51.758 52.037 0.159 0.000 0.643 132 A CB 0.566 19.689 19.000 0.204 0.000 1.302 132 A HN 1.294 nan 8.150 nan 0.000 0.446 133 G N -1.937 107.012 108.800 0.248 0.000 2.451 133 G HA2 0.563 4.523 3.960 0.000 0.000 0.292 133 G HA3 0.563 4.523 3.960 0.000 0.000 0.292 133 G C -2.260 172.867 174.900 0.378 0.000 1.427 133 G CA -0.261 45.005 45.100 0.277 0.000 0.792 133 G HN 1.574 nan 8.290 nan 0.000 0.498 134 Y N 0.476 120.929 120.300 0.255 0.000 2.346 134 Y HA 0.603 5.153 4.550 0.000 0.000 0.332 134 Y C 0.058 176.052 175.900 0.157 0.000 0.985 134 Y CA -0.655 57.606 58.100 0.269 0.000 1.112 134 Y CB 1.960 40.597 38.460 0.295 0.000 1.170 134 Y HN 0.863 nan 8.280 nan 0.000 0.447 135 A N 7.249 130.137 122.820 0.114 0.000 2.294 135 A HA 0.366 4.686 4.320 0.000 0.000 0.316 135 A C -0.956 176.707 177.584 0.132 0.000 1.359 135 A CA -0.592 51.479 52.037 0.058 0.000 0.956 135 A CB 0.105 19.082 19.000 -0.039 0.000 1.155 135 A HN 0.882 nan 8.150 nan 0.000 0.544 136 L N 5.525 126.857 121.223 0.182 0.000 2.422 136 L HA 0.296 4.636 4.340 0.000 0.000 0.256 136 L C 0.036 176.964 176.870 0.096 0.000 1.202 136 L CA -0.415 54.584 54.840 0.264 0.000 1.119 136 L CB -0.113 42.038 42.059 0.152 0.000 1.383 136 L HN 0.645 nan 8.230 nan 0.000 0.411 137 V N 0.760 120.555 119.914 -0.198 0.000 2.973 137 V HA 0.662 4.782 4.120 0.000 0.000 0.314 137 V C -0.424 175.325 176.094 -0.576 0.000 1.066 137 V CA -0.676 61.111 62.300 -0.855 0.000 1.021 137 V CB 1.893 33.324 31.823 -0.653 0.000 1.076 137 V HN 0.692 nan 8.190 nan 0.000 0.462 138 N N 1.710 119.922 118.700 -0.812 0.000 2.452 138 N HA 0.556 5.296 4.740 0.000 0.000 0.277 138 N C -3.223 172.148 175.510 -0.231 0.000 1.078 138 N CA -1.180 51.696 53.050 -0.289 0.000 0.947 138 N CB 2.935 41.379 38.487 -0.071 0.000 1.655 138 N HN 0.629 nan 8.380 nan 0.000 0.490 139 P HA 0.300 nan 4.420 nan 0.000 0.274 139 P C -2.694 174.591 177.300 -0.025 0.000 1.237 139 P CA -0.837 62.244 63.100 -0.032 0.000 0.793 139 P CB 0.219 31.914 31.700 -0.009 0.000 0.977 140 P HA 0.124 nan 4.420 nan 0.000 0.277 140 P C 0.475 177.831 177.300 0.093 0.000 1.276 140 P CA 0.137 63.276 63.100 0.064 0.000 0.788 140 P CB 0.462 32.252 31.700 0.149 0.000 1.114 141 G N -1.383 107.476 108.800 0.098 0.000 2.649 141 G HA2 -0.033 3.928 3.960 0.000 0.000 0.199 141 G HA3 -0.033 3.928 3.960 0.000 0.000 0.199 141 G C 1.091 176.094 174.900 0.171 0.000 1.085 141 G CA 0.304 45.485 45.100 0.136 0.000 0.804 141 G HN 0.726 nan 8.290 nan 0.000 0.671 142 H N -1.397 117.623 119.070 -0.083 0.000 2.524 142 H HA 0.144 4.700 4.556 -0.000 0.000 0.282 142 H C 1.789 177.017 175.328 -0.167 0.000 1.016 142 H CA 0.844 56.812 56.048 -0.133 0.000 1.270 142 H CB -0.088 29.569 29.762 -0.174 0.000 1.394 142 H HN 0.287 nan 8.280 nan 0.000 0.568 143 H N 0.960 119.966 119.070 -0.106 0.000 2.551 143 H HA 0.335 4.891 4.556 0.000 0.000 0.266 143 H C 0.760 176.050 175.328 -0.063 0.000 0.964 143 H CA 0.478 56.431 56.048 -0.157 0.000 1.180 143 H CB 0.037 29.761 29.762 -0.064 0.000 1.408 143 H HN 0.506 nan 8.280 nan 0.000 0.563 144 A N 4.325 127.207 122.820 0.103 0.000 2.395 144 A HA 0.249 4.569 4.320 0.000 0.000 0.286 144 A C -1.925 175.704 177.584 0.075 0.000 1.193 144 A CA -1.056 51.035 52.037 0.089 0.000 0.852 144 A CB 0.341 19.437 19.000 0.160 0.000 1.118 144 A HN 0.099 nan 8.150 nan 0.000 0.524 145 P HA 0.130 nan 4.420 nan 0.000 0.317 145 P C 0.573 177.858 177.300 -0.024 0.000 1.307 145 P CA -0.208 62.869 63.100 -0.038 0.000 0.749 145 P CB 0.617 32.277 31.700 -0.067 0.000 1.377 146 H N -0.459 118.517 119.070 -0.157 0.000 2.352 146 H HA -0.100 4.456 4.556 0.000 0.000 0.299 146 H C 1.299 176.618 175.328 -0.015 0.000 1.097 146 H CA 2.183 58.138 56.048 -0.155 0.000 1.311 146 H CB -0.144 29.517 29.762 -0.169 0.000 1.377 146 H HN 0.340 nan 8.280 nan 0.000 0.504 147 N N -0.426 118.212 118.700 -0.103 0.000 2.291 147 N HA 0.322 5.062 4.740 0.000 0.000 0.244 147 N C -1.171 174.231 175.510 -0.180 0.000 1.216 147 N CA 0.452 53.426 53.050 -0.126 0.000 0.879 147 N CB 0.548 39.031 38.487 -0.006 0.000 1.167 147 N HN 0.341 nan 8.380 nan 0.000 0.515 148 A N -0.039 122.534 122.820 -0.412 0.000 2.612 148 A HA 0.742 5.062 4.320 0.000 0.000 0.293 148 A C -1.433 175.927 177.584 -0.373 0.000 1.075 148 A CA -0.565 51.299 52.037 -0.289 0.000 0.680 148 A CB 1.077 20.018 19.000 -0.098 0.000 1.279 148 A HN 0.135 nan 8.150 nan 0.000 0.411 149 A N 0.780 123.586 122.820 -0.024 0.000 2.303 149 A HA 0.897 5.217 4.320 0.000 0.000 0.317 149 A C -0.260 177.328 177.584 0.007 0.000 1.149 149 A CA -0.175 51.872 52.037 0.017 0.000 0.822 149 A CB 0.840 19.870 19.000 0.050 0.000 1.131 149 A HN 1.889 nan 8.150 nan 0.000 0.493 150 M N 1.388 121.006 119.600 0.030 0.000 2.523 150 M HA 0.484 4.965 4.480 0.000 0.000 0.287 150 M C 0.209 176.543 176.300 0.057 0.000 1.160 150 M CA 0.738 56.062 55.300 0.041 0.000 0.902 150 M CB 1.563 34.183 32.600 0.033 0.000 1.752 150 M HN 2.104 nan 8.290 nan 0.000 0.504 151 G N 3.470 112.221 108.800 -0.082 0.000 2.393 151 G HA2 -0.267 3.693 3.960 0.000 0.000 0.299 151 G HA3 -0.267 3.693 3.960 0.000 0.000 0.299 151 G C 0.116 174.807 174.900 -0.349 0.000 0.990 151 G CA 0.918 45.737 45.100 -0.467 0.000 1.118 151 G HN 1.315 nan 8.290 nan 0.000 0.513 152 F N -4.691 115.284 119.950 0.043 0.000 2.656 152 F HA -0.297 4.230 4.527 0.000 0.000 0.381 152 F C 1.335 177.162 175.800 0.045 0.000 0.603 152 F CA 0.126 58.153 58.000 0.044 0.000 1.335 152 F CB -2.025 37.031 39.000 0.093 0.000 1.836 152 F HN 0.533 nan 8.300 nan 0.000 0.290 153 C N 2.454 121.869 119.300 0.192 0.000 2.273 153 C HA 0.448 4.908 4.460 0.000 0.000 0.328 153 C C 1.858 176.855 174.990 0.013 0.000 1.275 153 C CA -0.857 58.233 59.018 0.121 0.000 1.704 153 C CB 0.363 28.196 27.740 0.155 0.000 2.326 153 C HN 0.229 nan 8.230 nan 0.000 0.517 154 I N 1.197 121.707 120.570 -0.100 0.000 2.385 154 I HA 0.221 4.391 4.170 0.000 0.000 0.244 154 I C 0.386 176.180 176.117 -0.538 0.000 1.089 154 I CA 1.213 62.290 61.300 -0.371 0.000 1.410 154 I CB -0.603 37.068 38.000 -0.548 0.000 1.117 154 I HN 0.391 nan 8.210 nan 0.000 0.429 155 F N 0.233 120.194 119.950 0.020 0.000 2.577 155 F HA 0.380 4.907 4.527 0.000 0.000 0.318 155 F C 0.749 176.649 175.800 0.166 0.000 1.065 155 F CA -1.429 56.562 58.000 -0.015 0.000 0.929 155 F CB 0.391 39.367 39.000 -0.040 0.000 1.237 155 F HN -0.142 nan 8.300 nan 0.000 0.468 156 N N 2.519 121.591 118.700 0.620 0.000 2.605 156 N HA 0.018 4.758 4.740 0.000 0.000 0.258 156 N C 0.601 176.279 175.510 0.280 0.000 1.156 156 N CA 0.181 53.452 53.050 0.368 0.000 1.008 156 N CB -0.041 38.607 38.487 0.269 0.000 1.354 156 N HN 0.553 nan 8.380 nan 0.000 0.509 157 N N 0.965 119.782 118.700 0.195 0.000 2.060 157 N HA -0.210 4.530 4.740 0.000 0.000 0.195 157 N C 1.673 177.232 175.510 0.083 0.000 1.028 157 N CA 2.215 55.333 53.050 0.113 0.000 0.861 157 N CB -0.614 37.893 38.487 0.033 0.000 1.029 157 N HN 0.621 nan 8.380 nan 0.000 0.428 158 T N -1.916 112.677 114.554 0.065 0.000 2.821 158 T HA 0.024 4.374 4.350 0.000 0.000 0.267 158 T C 2.133 176.909 174.700 0.127 0.000 1.046 158 T CA 1.390 63.513 62.100 0.039 0.000 1.139 158 T CB -0.422 68.436 68.868 -0.018 0.000 0.871 158 T HN 0.023 nan 8.240 nan 0.000 0.454 159 S N 0.903 116.745 115.700 0.237 0.000 2.387 159 S HA 0.021 4.491 4.470 0.000 0.000 0.226 159 S C 2.210 177.021 174.600 0.352 0.000 1.026 159 S CA 0.860 59.324 58.200 0.440 0.000 0.972 159 S CB -0.477 62.968 63.200 0.410 0.000 0.814 159 S HN 0.408 nan 8.310 nan 0.000 0.477 160 V N 2.135 122.180 119.914 0.218 0.000 2.295 160 V HA -0.222 3.898 4.120 0.000 0.000 0.246 160 V C 2.651 178.844 176.094 0.167 0.000 1.049 160 V CA 1.798 64.201 62.300 0.172 0.000 1.024 160 V CB -1.219 30.678 31.823 0.123 0.000 0.648 160 V HN 0.537 nan 8.190 nan 0.000 0.447 161 A N 0.050 122.940 122.820 0.117 0.000 1.877 161 A HA -0.100 4.220 4.320 0.000 0.000 0.216 161 A C 2.465 180.131 177.584 0.137 0.000 1.186 161 A CA 2.087 54.176 52.037 0.086 0.000 0.620 161 A CB -0.936 18.071 19.000 0.013 0.000 0.822 161 A HN 0.576 nan 8.150 nan 0.000 0.443 162 A N -0.481 122.400 122.820 0.101 0.000 1.917 162 A HA 0.021 4.341 4.320 0.000 0.000 0.219 162 A C 2.406 180.047 177.584 0.094 0.000 1.182 162 A CA 2.174 54.220 52.037 0.015 0.000 0.633 162 A CB -1.425 17.483 19.000 -0.155 0.000 0.819 162 A HN 0.784 nan 8.150 nan 0.000 0.448 163 G N -2.141 106.839 108.800 0.299 0.000 2.408 163 G HA2 -0.218 3.743 3.960 0.000 0.000 0.217 163 G HA3 -0.218 3.743 3.960 0.000 0.000 0.217 163 G C 1.527 176.547 174.900 0.200 0.000 1.150 163 G CA 1.164 46.469 45.100 0.341 0.000 0.776 163 G HN 0.608 nan 8.290 nan 0.000 0.542 164 Y N 1.944 122.292 120.300 0.080 0.000 2.114 164 Y HA -0.040 4.510 4.550 0.000 0.000 0.284 164 Y C 2.958 178.871 175.900 0.021 0.000 1.143 164 Y CA 1.784 59.909 58.100 0.041 0.000 1.135 164 Y CB -0.357 38.120 38.460 0.028 0.000 0.980 164 Y HN 0.244 nan 8.280 nan 0.000 0.499 165 A N 0.981 123.899 122.820 0.163 0.000 1.908 165 A HA -0.223 4.098 4.320 0.000 0.000 0.218 165 A C 2.324 179.879 177.584 -0.049 0.000 1.181 165 A CA 1.917 53.981 52.037 0.044 0.000 0.627 165 A CB -0.643 18.391 19.000 0.058 0.000 0.818 165 A HN 0.503 nan 8.150 nan 0.000 0.445 166 R N -0.758 119.722 120.500 -0.034 0.000 2.073 166 R HA -0.092 4.248 4.340 0.000 0.000 0.234 166 R C 2.480 178.746 176.300 -0.056 0.000 1.134 166 R CA 1.479 57.554 56.100 -0.042 0.000 0.952 166 R CB -0.632 29.662 30.300 -0.009 0.000 0.850 166 R HN 0.551 nan 8.270 nan 0.000 0.433 167 A N 0.202 122.980 122.820 -0.071 0.000 1.850 167 A HA -0.023 4.297 4.320 0.000 0.000 0.212 167 A C 2.349 179.828 177.584 -0.175 0.000 1.208 167 A CA 0.938 52.919 52.037 -0.093 0.000 0.609 167 A CB -0.428 18.535 19.000 -0.062 0.000 0.860 167 A HN 0.090 nan 8.150 nan 0.000 0.448 168 V N 0.036 119.741 119.914 -0.348 0.000 2.500 168 V HA -0.053 4.067 4.120 0.000 0.000 0.243 168 V C 2.311 178.224 176.094 -0.301 0.000 1.039 168 V CA 1.380 63.429 62.300 -0.419 0.000 1.053 168 V CB -0.601 30.699 31.823 -0.872 0.000 0.695 168 V HN 0.495 nan 8.190 nan 0.000 0.463 169 L N 0.570 121.616 121.223 -0.295 0.000 2.492 169 L HA 0.271 4.611 4.340 0.000 0.000 0.223 169 L C 1.765 178.582 176.870 -0.089 0.000 1.132 169 L CA 0.925 55.683 54.840 -0.137 0.000 0.850 169 L CB -0.652 41.370 42.059 -0.061 0.000 0.966 169 L HN 0.559 nan 8.230 nan 0.000 0.454 170 G N 0.376 109.117 108.800 -0.098 0.000 2.147 170 G HA2 -0.304 3.656 3.960 0.000 0.000 0.244 170 G HA3 -0.304 3.656 3.960 0.000 0.000 0.244 170 G C 0.239 175.104 174.900 -0.059 0.000 1.005 170 G CA -0.065 44.994 45.100 -0.070 0.000 0.713 170 G HN 0.256 nan 8.290 nan 0.000 0.515 171 M N 0.163 119.727 119.600 -0.061 0.000 2.217 171 M HA 0.287 4.767 4.480 0.000 0.000 0.354 171 M C 1.382 177.640 176.300 -0.069 0.000 1.225 171 M CA 0.118 55.382 55.300 -0.060 0.000 1.137 171 M CB 0.637 33.204 32.600 -0.054 0.000 1.576 171 M HN 0.221 nan 8.290 nan 0.000 0.461 172 E N 1.951 122.103 120.200 -0.080 0.000 2.318 172 E HA 0.061 4.411 4.350 0.000 0.000 0.193 172 E C -0.036 176.496 176.600 -0.112 0.000 0.998 172 E CA 0.691 57.036 56.400 -0.091 0.000 0.859 172 E CB 0.500 30.141 29.700 -0.098 0.000 0.812 172 E HN 0.534 nan 8.360 nan 0.000 0.492 173 R N 0.741 121.169 120.500 -0.120 0.000 2.515 173 R HA 0.425 4.765 4.340 0.000 0.000 0.291 173 R C -1.419 174.869 176.300 -0.020 0.000 1.046 173 R CA -0.370 55.664 56.100 -0.111 0.000 0.914 173 R CB 2.518 32.604 30.300 -0.357 0.000 1.191 173 R HN -0.155 nan 8.270 nan 0.000 0.435 174 V N 1.718 121.646 119.914 0.025 0.000 2.656 174 V HA 0.689 4.809 4.120 0.000 0.000 0.307 174 V C -0.414 175.669 176.094 -0.018 0.000 1.051 174 V CA -0.905 61.372 62.300 -0.039 0.000 0.893 174 V CB 1.940 33.655 31.823 -0.179 0.000 0.999 174 V HN 0.885 nan 8.190 nan 0.000 0.426 175 A N 5.350 128.151 122.820 -0.031 0.000 2.304 175 A HA 0.891 5.211 4.320 0.000 0.000 0.323 175 A C -0.709 176.773 177.584 -0.170 0.000 1.195 175 A CA -0.491 51.471 52.037 -0.127 0.000 0.826 175 A CB 0.613 19.578 19.000 -0.058 0.000 1.184 175 A HN 0.778 nan 8.150 nan 0.000 0.496 176 I N 3.284 123.738 120.570 -0.194 0.000 2.359 176 I HA 0.220 4.390 4.170 0.000 0.000 0.284 176 I C -0.736 175.303 176.117 -0.130 0.000 1.018 176 I CA -0.576 60.623 61.300 -0.168 0.000 1.173 176 I CB 1.414 39.331 38.000 -0.137 0.000 1.326 176 I HN 0.566 nan 8.210 nan 0.000 0.462 177 L N 6.849 127.973 121.223 -0.164 0.000 2.265 177 L HA 0.471 4.811 4.340 0.000 0.000 0.288 177 L C -0.557 176.205 176.870 -0.179 0.000 1.058 177 L CA 0.341 55.108 54.840 -0.121 0.000 0.809 177 L CB 0.917 42.915 42.059 -0.103 0.000 1.179 177 L HN 0.435 nan 8.230 nan 0.000 0.429 178 D N 4.602 124.983 120.400 -0.032 0.000 2.440 178 D HA 0.230 4.870 4.640 0.000 0.000 0.239 178 D C -0.472 175.938 176.300 0.183 0.000 1.084 178 D CA -0.477 53.513 54.000 -0.017 0.000 0.843 178 D CB 0.715 41.579 40.800 0.107 0.000 1.097 178 D HN 0.603 nan 8.370 nan 0.000 0.531 179 W N 3.475 124.847 121.300 0.119 0.000 2.991 179 W HA 0.381 5.041 4.660 -0.000 0.000 0.391 179 W C 0.006 176.639 176.519 0.189 0.000 1.054 179 W CA -0.967 56.506 57.345 0.214 0.000 1.856 179 W CB -0.764 28.855 29.460 0.265 0.000 1.132 179 W HN 0.138 nan 8.180 nan 0.000 0.601 180 D N 1.529 122.107 120.400 0.296 0.000 2.506 180 D HA -0.131 4.509 4.640 0.000 0.000 0.234 180 D C 1.244 177.776 176.300 0.387 0.000 1.143 180 D CA 0.430 54.573 54.000 0.238 0.000 0.871 180 D CB 2.247 43.014 40.800 -0.056 0.000 1.190 180 D HN 0.067 nan 8.370 nan 0.000 0.459 181 V N 4.098 124.190 119.914 0.297 0.000 3.141 181 V HA -0.128 3.992 4.120 0.000 0.000 0.265 181 V C 0.205 176.410 176.094 0.184 0.000 1.126 181 V CA 1.312 63.742 62.300 0.216 0.000 1.141 181 V CB -0.607 31.248 31.823 0.054 0.000 0.743 181 V HN 0.484 nan 8.190 nan 0.000 0.492 182 H N -0.754 118.632 119.070 0.527 0.000 2.502 182 H HA 0.374 4.930 4.556 -0.000 0.000 0.338 182 H C 0.203 175.812 175.328 0.469 0.000 1.155 182 H CA -0.562 55.797 56.048 0.519 0.000 1.237 182 H CB 0.510 30.648 29.762 0.627 0.000 1.534 182 H HN 0.358 nan 8.280 nan 0.000 0.523 183 H N 1.314 120.490 119.070 0.177 0.000 2.964 183 H HA 0.006 4.562 4.556 0.000 0.000 0.328 183 H C 0.450 175.762 175.328 -0.027 0.000 1.030 183 H CA -0.312 55.602 56.048 -0.224 0.000 1.445 183 H CB 0.521 29.920 29.762 -0.605 0.000 1.449 183 H HN 0.948 nan 8.280 nan 0.000 0.581 184 G N 5.399 114.055 108.800 -0.240 0.000 3.197 184 G HA2 -0.141 3.819 3.960 0.000 0.000 0.257 184 G HA3 -0.141 3.819 3.960 0.000 0.000 0.257 184 G C 1.219 175.739 174.900 -0.633 0.000 0.835 184 G CA -0.218 44.679 45.100 -0.337 0.000 2.001 184 G HN 0.872 nan 8.290 nan 0.000 0.625 185 N N 1.057 119.227 118.700 -0.884 0.000 2.166 185 N HA -0.130 4.610 4.740 0.000 0.000 0.186 185 N C 2.121 177.495 175.510 -0.226 0.000 1.019 185 N CA 1.467 54.156 53.050 -0.602 0.000 0.856 185 N CB -0.561 37.717 38.487 -0.348 0.000 0.993 185 N HN 0.276 nan 8.380 nan 0.000 0.426 186 G N 0.634 109.340 108.800 -0.157 0.000 2.421 186 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 186 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 186 G C 1.513 176.401 174.900 -0.021 0.000 1.171 186 G CA 1.672 46.735 45.100 -0.062 0.000 0.775 186 G HN 0.441 nan 8.290 nan 0.000 0.543 187 T N 0.310 114.881 114.554 0.028 0.000 2.777 187 T HA -0.125 4.225 4.350 0.000 0.000 0.266 187 T C 2.259 177.099 174.700 0.234 0.000 1.040 187 T CA 1.498 63.699 62.100 0.169 0.000 1.141 187 T CB -0.246 68.738 68.868 0.193 0.000 0.868 187 T HN 0.455 nan 8.240 nan 0.000 0.444 188 Q N 1.058 120.953 119.800 0.158 0.000 2.061 188 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 188 Q C 2.093 178.259 176.000 0.277 0.000 0.984 188 Q CA 2.201 58.167 55.803 0.272 0.000 0.846 188 Q CB -0.299 28.598 28.738 0.266 0.000 0.902 188 Q HN 0.563 nan 8.270 nan 0.000 0.421 189 D N -0.240 120.201 120.400 0.069 0.000 2.123 189 D HA -0.174 4.466 4.640 0.000 0.000 0.196 189 D C 1.834 178.116 176.300 -0.030 0.000 0.992 189 D CA 1.668 55.649 54.000 -0.031 0.000 0.833 189 D CB -0.143 40.590 40.800 -0.112 0.000 0.954 189 D HN 0.416 nan 8.370 nan 0.000 0.455 190 I N -0.941 119.541 120.570 -0.146 0.000 2.315 190 I HA -0.154 4.016 4.170 0.000 0.000 0.248 190 I C 1.001 176.769 176.117 -0.581 0.000 1.117 190 I CA 0.867 61.879 61.300 -0.481 0.000 1.404 190 I CB -0.141 37.408 38.000 -0.751 0.000 1.071 190 I HN 0.237 nan 8.210 nan 0.000 0.419 191 W N -0.898 120.457 121.300 0.091 0.000 2.991 191 W HA 0.121 4.781 4.660 -0.000 0.000 0.391 191 W C 1.881 178.491 176.519 0.151 0.000 1.054 191 W CA -0.772 56.625 57.345 0.086 0.000 1.856 191 W CB -0.395 29.096 29.460 0.052 0.000 1.132 191 W HN 0.138 nan 8.180 nan 0.000 0.601 192 W N 2.054 123.421 121.300 0.112 0.000 2.290 192 W HA -0.309 4.351 4.660 0.000 0.000 0.323 192 W C 0.877 177.460 176.519 0.107 0.000 1.260 192 W CA 1.794 59.196 57.345 0.094 0.000 1.266 192 W CB -0.260 29.223 29.460 0.037 0.000 1.149 192 W HN -0.115 nan 8.180 nan 0.000 0.482 193 N N 0.272 119.074 118.700 0.170 0.000 2.270 193 N HA -0.032 4.708 4.740 0.000 0.000 0.198 193 N C -0.851 174.698 175.510 0.065 0.000 1.117 193 N CA 0.638 53.724 53.050 0.060 0.000 0.845 193 N CB -0.060 38.488 38.487 0.102 0.000 0.980 193 N HN 0.026 nan 8.380 nan 0.000 0.486 194 D N 0.902 121.375 120.400 0.122 0.000 2.453 194 D HA 0.200 4.840 4.640 0.000 0.000 0.238 194 D C -1.794 174.541 176.300 0.057 0.000 1.088 194 D CA -1.980 52.101 54.000 0.135 0.000 0.854 194 D CB 2.195 43.182 40.800 0.311 0.000 1.076 194 D HN -0.029 nan 8.370 nan 0.000 0.533 195 P HA -0.064 nan 4.420 nan 0.000 0.233 195 P C 0.933 178.084 177.300 -0.248 0.000 1.167 195 P CA 0.420 63.282 63.100 -0.398 0.000 0.770 195 P CB 0.193 31.540 31.700 -0.588 0.000 0.837 196 S N -1.411 114.234 115.700 -0.093 0.000 2.603 196 S HA 0.106 4.576 4.470 0.000 0.000 0.220 196 S C 0.629 175.192 174.600 -0.061 0.000 0.967 196 S CA -0.136 58.033 58.200 -0.052 0.000 0.920 196 S CB -0.654 62.514 63.200 -0.054 0.000 0.773 196 S HN -0.082 nan 8.310 nan 0.000 0.529 197 V N 2.315 122.151 119.914 -0.131 0.000 2.447 197 V HA 0.467 4.587 4.120 0.000 0.000 0.292 197 V C -0.693 175.242 176.094 -0.265 0.000 1.021 197 V CA -0.861 61.226 62.300 -0.354 0.000 0.850 197 V CB 1.467 32.626 31.823 -1.107 0.000 1.005 197 V HN 0.454 nan 8.190 nan 0.000 0.426 198 L N 5.936 126.907 121.223 -0.420 0.000 2.290 198 L HA 0.704 5.044 4.340 0.000 0.000 0.284 198 L C 0.540 177.239 176.870 -0.284 0.000 1.078 198 L CA 0.742 55.278 54.840 -0.508 0.000 0.815 198 L CB 1.416 42.748 42.059 -1.211 0.000 1.162 198 L HN 0.851 nan 8.230 nan 0.000 0.435 199 T N 3.849 118.329 114.554 -0.123 0.000 2.792 199 T HA 0.702 5.052 4.350 0.000 0.000 0.280 199 T C -0.245 174.463 174.700 0.013 0.000 0.990 199 T CA -0.491 61.596 62.100 -0.022 0.000 0.960 199 T CB 0.740 69.675 68.868 0.112 0.000 0.939 199 T HN 0.457 nan 8.240 nan 0.000 0.439 200 I N 2.331 122.913 120.570 0.021 0.000 2.498 200 I HA 0.562 4.732 4.170 0.000 0.000 0.290 200 I C -0.129 176.070 176.117 0.137 0.000 1.032 200 I CA -0.840 60.495 61.300 0.058 0.000 1.073 200 I CB 2.269 40.278 38.000 0.015 0.000 1.251 200 I HN 0.697 nan 8.210 nan 0.000 0.426 201 S N 7.166 122.995 115.700 0.215 0.000 2.647 201 S HA 0.652 5.122 4.470 0.000 0.000 0.300 201 S C -0.913 173.850 174.600 0.271 0.000 1.129 201 S CA -0.622 57.786 58.200 0.348 0.000 1.029 201 S CB 0.775 64.317 63.200 0.570 0.000 1.007 201 S HN 0.459 nan 8.310 nan 0.000 0.484 202 L N 7.159 128.538 121.223 0.260 0.000 2.289 202 L HA 0.677 5.017 4.340 0.000 0.000 0.285 202 L C 0.078 177.081 176.870 0.222 0.000 1.049 202 L CA -0.702 54.194 54.840 0.094 0.000 0.804 202 L CB 0.884 43.054 42.059 0.185 0.000 1.195 202 L HN 0.779 nan 8.230 nan 0.000 0.428 203 H N 1.344 120.520 119.070 0.176 0.000 3.037 203 H HA 0.160 4.716 4.556 0.000 0.000 0.336 203 H C -1.499 173.919 175.328 0.150 0.000 1.323 203 H CA -0.985 55.197 56.048 0.224 0.000 1.159 203 H CB 1.596 31.523 29.762 0.276 0.000 1.882 203 H HN 0.570 nan 8.280 nan 0.000 0.535 204 Q N 1.660 121.637 119.800 0.294 0.000 2.274 204 Q HA -0.035 4.305 4.340 0.000 0.000 0.280 204 Q C -0.507 175.674 176.000 0.302 0.000 1.047 204 Q CA -0.086 55.855 55.803 0.230 0.000 0.907 204 Q CB 0.252 29.106 28.738 0.193 0.000 1.171 204 Q HN 0.557 nan 8.270 nan 0.000 0.381 205 H N 5.543 124.679 119.070 0.109 0.000 3.107 205 H HA -0.045 4.511 4.556 0.000 0.000 0.301 205 H C 0.385 175.730 175.328 0.027 0.000 0.981 205 H CA 1.102 57.183 56.048 0.056 0.000 1.443 205 H CB -0.115 29.631 29.762 -0.026 0.000 1.479 205 H HN 0.813 nan 8.280 nan 0.000 0.564 206 L N 3.209 124.248 121.223 -0.306 0.000 4.040 206 L HA -0.393 3.947 4.340 0.000 0.000 0.410 206 L C 1.809 178.632 176.870 -0.078 0.000 1.187 206 L CA 0.683 55.322 54.840 -0.334 0.000 0.956 206 L CB -2.195 39.555 42.059 -0.515 0.000 2.022 206 L HN 0.663 nan 8.230 nan 0.000 0.897 207 C N -0.148 119.196 119.300 0.074 0.000 2.543 207 C HA 0.176 4.636 4.460 0.000 0.000 0.281 207 C C 0.863 176.039 174.990 0.310 0.000 1.276 207 C CA 1.196 60.342 59.018 0.213 0.000 1.700 207 C CB 0.095 28.013 27.740 0.297 0.000 2.093 207 C HN 0.505 nan 8.230 nan 0.000 0.488 208 F N 0.813 120.854 119.950 0.151 0.000 2.652 208 F HA 0.513 5.040 4.527 0.000 0.000 0.320 208 F C -2.863 172.898 175.800 -0.065 0.000 1.115 208 F CA -1.644 56.328 58.000 -0.046 0.000 1.053 208 F CB 0.834 39.677 39.000 -0.261 0.000 1.297 208 F HN -0.024 nan 8.300 nan 0.000 0.471 209 P HA 0.317 nan 4.420 nan 0.000 0.274 209 P C -2.675 174.307 177.300 -0.530 0.000 1.246 209 P CA -1.082 61.206 63.100 -1.353 0.000 0.795 209 P CB 0.115 31.192 31.700 -1.039 0.000 1.006 210 P HA 0.008 nan 4.420 nan 0.000 0.272 210 P C 0.043 177.249 177.300 -0.158 0.000 1.240 210 P CA 0.411 63.398 63.100 -0.188 0.000 0.791 210 P CB -0.002 31.631 31.700 -0.112 0.000 0.978 211 D N -1.685 118.663 120.400 -0.087 0.000 2.811 211 D HA -0.173 4.467 4.640 0.000 0.000 0.231 211 D C -0.631 175.719 176.300 0.084 0.000 1.157 211 D CA 1.228 55.264 54.000 0.059 0.000 0.716 211 D CB -1.209 39.613 40.800 0.038 0.000 1.077 211 D HN 0.340 nan 8.370 nan 0.000 0.428 212 S N -1.976 113.667 115.700 -0.094 0.000 2.569 212 S HA 0.625 5.095 4.470 0.000 0.000 0.280 212 S C 0.694 175.072 174.600 -0.370 0.000 1.111 212 S CA 0.735 58.882 58.200 -0.087 0.000 0.887 212 S CB 1.788 64.963 63.200 -0.041 0.000 1.095 212 S HN 0.992 nan 8.310 nan 0.000 0.476 213 G N 1.749 110.232 108.800 -0.528 0.000 2.130 213 G HA2 -0.203 3.757 3.960 0.000 0.000 0.216 213 G HA3 -0.203 3.757 3.960 0.000 0.000 0.216 213 G C -0.291 174.499 174.900 -0.183 0.000 0.999 213 G CA 0.099 44.650 45.100 -0.915 0.000 0.686 213 G HN 0.694 nan 8.290 nan 0.000 0.515 214 Y N 1.105 121.412 120.300 0.012 0.000 2.578 214 Y HA 0.270 4.820 4.550 0.000 0.000 0.339 214 Y C 2.146 178.078 175.900 0.053 0.000 1.231 214 Y CA 0.649 58.800 58.100 0.085 0.000 1.461 214 Y CB 0.797 39.309 38.460 0.087 0.000 1.323 214 Y HN 0.319 nan 8.280 nan 0.000 0.590 215 S N -1.195 114.608 115.700 0.171 0.000 2.469 215 S HA -0.184 4.286 4.470 0.000 0.000 0.238 215 S C 1.600 176.262 174.600 0.104 0.000 0.998 215 S CA 1.174 59.429 58.200 0.092 0.000 0.957 215 S CB -0.975 62.239 63.200 0.023 0.000 0.764 215 S HN 0.878 nan 8.310 nan 0.000 0.514 216 T N -0.656 113.986 114.554 0.148 0.000 3.118 216 T HA 0.112 4.462 4.350 0.000 0.000 0.260 216 T C 0.286 175.092 174.700 0.177 0.000 1.139 216 T CA 0.093 62.267 62.100 0.123 0.000 1.085 216 T CB -0.587 68.335 68.868 0.090 0.000 0.934 216 T HN 0.536 nan 8.240 nan 0.000 0.518 217 E N 1.344 121.689 120.200 0.241 0.000 2.003 217 E HA 0.292 4.642 4.350 0.000 0.000 0.279 217 E C 0.645 177.394 176.600 0.248 0.000 1.132 217 E CA -0.240 56.400 56.400 0.400 0.000 0.888 217 E CB 0.559 30.518 29.700 0.432 0.000 1.056 217 E HN 0.394 nan 8.360 nan 0.000 0.399 218 R N 2.253 122.763 120.500 0.016 0.000 2.509 218 R HA 0.221 4.561 4.340 0.000 0.000 0.297 218 R C 0.387 176.318 176.300 -0.615 0.000 0.951 218 R CA 0.045 55.970 56.100 -0.292 0.000 1.103 218 R CB 1.222 31.289 30.300 -0.387 0.000 1.283 218 R HN 0.669 nan 8.270 nan 0.000 0.534 219 G N 0.912 108.988 108.800 -1.206 0.000 2.707 219 G HA2 0.063 4.023 3.960 0.000 0.000 0.686 219 G HA3 0.063 4.023 3.960 0.000 0.000 0.686 219 G C -1.101 173.104 174.900 -1.158 0.000 1.315 219 G CA -0.527 43.677 45.100 -1.494 0.000 0.832 219 G HN 0.332 nan 8.290 nan 0.000 0.573 220 A N -0.419 121.849 122.820 -0.921 0.000 2.469 220 A HA 1.211 5.531 4.320 0.000 0.000 0.299 220 A C 1.382 178.913 177.584 -0.089 0.000 1.098 220 A CA 1.317 53.187 52.037 -0.278 0.000 0.737 220 A CB 1.151 20.125 19.000 -0.044 0.000 1.312 220 A HN 3.054 nan 8.150 nan 0.000 0.414 221 G N 1.367 110.164 108.800 -0.004 0.000 2.583 221 G HA2 -0.380 3.580 3.960 0.000 0.000 0.292 221 G HA3 -0.380 3.580 3.960 0.000 0.000 0.292 221 G C 0.706 175.634 174.900 0.046 0.000 1.203 221 G CA 1.056 46.166 45.100 0.017 0.000 0.987 221 G HN 1.080 nan 8.290 nan 0.000 0.554 222 N N 1.255 119.978 118.700 0.039 0.000 2.289 222 N HA 0.104 4.844 4.740 0.000 0.000 0.184 222 N C 2.143 177.704 175.510 0.085 0.000 1.016 222 N CA 1.277 54.358 53.050 0.052 0.000 0.872 222 N CB -0.218 38.276 38.487 0.012 0.000 0.973 222 N HN 0.805 nan 8.380 nan 0.000 0.433 223 G N -0.508 108.326 108.800 0.057 0.000 2.848 223 G HA2 -0.149 3.811 3.960 0.000 0.000 0.208 223 G HA3 -0.149 3.811 3.960 0.000 0.000 0.208 223 G C -0.094 174.870 174.900 0.106 0.000 1.152 223 G CA -0.120 45.032 45.100 0.087 0.000 0.789 223 G HN 0.395 nan 8.290 nan 0.000 0.531 224 H N -0.269 118.805 119.070 0.006 0.000 2.899 224 H HA 0.405 4.962 4.556 0.000 0.000 0.303 224 H C 1.401 176.665 175.328 -0.107 0.000 1.042 224 H CA 0.903 56.886 56.048 -0.108 0.000 1.479 224 H CB 0.472 30.170 29.762 -0.105 0.000 1.493 224 H HN 0.155 nan 8.280 nan 0.000 0.534 225 G N 3.757 112.098 108.800 -0.765 0.000 2.175 225 G HA2 -0.296 3.664 3.960 0.000 0.000 0.244 225 G HA3 -0.296 3.664 3.960 0.000 0.000 0.244 225 G C 0.116 174.538 174.900 -0.797 0.000 0.982 225 G CA 0.388 45.063 45.100 -0.708 0.000 0.641 225 G HN 0.640 nan 8.290 nan 0.000 0.527 226 Y N 0.829 120.995 120.300 -0.224 0.000 2.636 226 Y HA 0.405 4.955 4.550 0.000 0.000 0.260 226 Y C 0.917 176.713 175.900 -0.173 0.000 1.177 226 Y CA -0.340 57.650 58.100 -0.184 0.000 1.209 226 Y CB 0.572 38.962 38.460 -0.117 0.000 1.166 226 Y HN 0.298 nan 8.280 nan 0.000 0.531 227 N N 1.125 119.756 118.700 -0.115 0.000 2.346 227 N HA 0.450 5.190 4.740 0.000 0.000 0.289 227 N C -1.710 173.777 175.510 -0.039 0.000 1.027 227 N CA -0.292 52.747 53.050 -0.018 0.000 0.864 227 N CB 1.272 39.805 38.487 0.078 0.000 1.370 227 N HN 0.093 nan 8.380 nan 0.000 0.481 228 I N 2.489 123.062 120.570 0.005 0.000 2.439 228 I HA 0.276 4.446 4.170 0.000 0.000 0.285 228 I C -0.556 175.610 176.117 0.081 0.000 1.021 228 I CA -0.612 60.689 61.300 0.003 0.000 1.091 228 I CB 1.531 39.502 38.000 -0.048 0.000 1.242 228 I HN 0.377 nan 8.210 nan 0.000 0.439 229 N N 5.099 123.859 118.700 0.099 0.000 2.419 229 N HA 0.431 5.171 4.740 0.000 0.000 0.277 229 N C -0.834 174.665 175.510 -0.019 0.000 1.006 229 N CA -0.574 52.558 53.050 0.136 0.000 0.923 229 N CB 2.152 40.751 38.487 0.186 0.000 1.140 229 N HN 0.225 nan 8.380 nan 0.000 0.488 230 V N 3.834 123.665 119.914 -0.138 0.000 2.204 230 V HA 0.271 4.391 4.120 0.000 0.000 0.264 230 V C -2.075 173.747 176.094 -0.453 0.000 1.106 230 V CA -1.614 60.549 62.300 -0.228 0.000 0.947 230 V CB -0.028 31.691 31.823 -0.172 0.000 1.164 230 V HN 0.595 nan 8.190 nan 0.000 0.461 231 P HA 0.314 nan 4.420 nan 0.000 0.271 231 P C -0.729 176.427 177.300 -0.239 0.000 1.216 231 P CA 0.132 63.019 63.100 -0.354 0.000 0.771 231 P CB 1.477 33.076 31.700 -0.169 0.000 0.864 232 L N 4.538 125.672 121.223 -0.147 0.000 2.388 232 L HA 0.517 4.857 4.340 0.000 0.000 0.264 232 L C -2.292 174.570 176.870 -0.013 0.000 0.998 232 L CA -2.775 51.990 54.840 -0.125 0.000 0.817 232 L CB 2.723 44.649 42.059 -0.222 0.000 1.338 232 L HN 0.185 nan 8.230 nan 0.000 0.414 233 P HA 0.191 nan 4.420 nan 0.000 0.271 233 P C -2.660 174.677 177.300 0.061 0.000 1.218 233 P CA -1.475 61.649 63.100 0.040 0.000 0.780 233 P CB -0.200 31.511 31.700 0.018 0.000 0.901 234 P HA -0.014 nan 4.420 nan 0.000 0.266 234 P C 1.154 178.492 177.300 0.062 0.000 1.186 234 P CA 1.451 64.599 63.100 0.080 0.000 0.767 234 P CB -0.184 31.560 31.700 0.074 0.000 0.820 235 G N 1.097 109.936 108.800 0.066 0.000 2.205 235 G HA2 -0.261 3.699 3.960 0.000 0.000 0.261 235 G HA3 -0.261 3.699 3.960 0.000 0.000 0.261 235 G C 0.331 175.261 174.900 0.050 0.000 0.980 235 G CA 0.131 45.259 45.100 0.047 0.000 0.632 235 G HN 0.600 nan 8.290 nan 0.000 0.533 236 S N 0.971 116.717 115.700 0.077 0.000 2.546 236 S HA 0.497 4.967 4.470 0.000 0.000 0.290 236 S C 1.116 175.805 174.600 0.148 0.000 1.290 236 S CA 0.527 58.787 58.200 0.100 0.000 1.069 236 S CB 1.328 64.590 63.200 0.103 0.000 0.846 236 S HN 1.218 nan 8.310 nan 0.000 0.495 237 G N 2.259 111.119 108.800 0.100 0.000 3.175 237 G HA2 0.231 4.191 3.960 0.000 0.000 0.153 237 G HA3 0.231 4.191 3.960 0.000 0.000 0.153 237 G C 0.632 175.568 174.900 0.061 0.000 1.216 237 G CA -0.468 44.654 45.100 0.038 0.000 0.943 237 G HN 0.538 nan 8.290 nan 0.000 0.611 238 N N 0.535 119.208 118.700 -0.045 0.000 2.120 238 N HA -0.101 4.639 4.740 0.000 0.000 0.188 238 N C 2.367 177.888 175.510 0.018 0.000 1.024 238 N CA 1.487 54.502 53.050 -0.060 0.000 0.852 238 N CB -0.631 37.802 38.487 -0.090 0.000 1.003 238 N HN 0.438 nan 8.380 nan 0.000 0.424 239 A N 1.072 123.901 122.820 0.014 0.000 1.883 239 A HA -0.034 4.286 4.320 0.000 0.000 0.217 239 A C 2.381 179.995 177.584 0.050 0.000 1.186 239 A CA 2.191 54.240 52.037 0.020 0.000 0.624 239 A CB -1.027 17.964 19.000 -0.015 0.000 0.822 239 A HN 0.326 nan 8.150 nan 0.000 0.444 240 A N -1.596 121.252 122.820 0.048 0.000 1.883 240 A HA -0.111 4.209 4.320 0.000 0.000 0.217 240 A C 2.127 179.722 177.584 0.019 0.000 1.186 240 A CA 1.708 53.761 52.037 0.026 0.000 0.624 240 A CB -0.819 18.168 19.000 -0.022 0.000 0.822 240 A HN 0.592 nan 8.150 nan 0.000 0.444 241 Y N -0.048 120.233 120.300 -0.033 0.000 2.200 241 Y HA -0.065 4.486 4.550 0.000 0.000 0.290 241 Y C 2.234 178.112 175.900 -0.036 0.000 1.137 241 Y CA 1.492 59.559 58.100 -0.055 0.000 1.163 241 Y CB -0.274 38.100 38.460 -0.143 0.000 0.988 241 Y HN 0.172 nan 8.280 nan 0.000 0.518 242 L N -1.266 120.028 121.223 0.119 0.000 2.141 242 L HA -0.236 4.104 4.340 0.000 0.000 0.209 242 L C 2.265 179.183 176.870 0.079 0.000 1.094 242 L CA 1.637 56.521 54.840 0.073 0.000 0.763 242 L CB -0.592 41.496 42.059 0.049 0.000 0.908 242 L HN 0.288 nan 8.230 nan 0.000 0.437 243 H N 0.129 119.197 119.070 -0.005 0.000 2.395 243 H HA -0.059 4.497 4.556 0.000 0.000 0.299 243 H C 2.152 177.463 175.328 -0.027 0.000 1.070 243 H CA 1.309 57.347 56.048 -0.017 0.000 1.356 243 H CB 0.180 29.925 29.762 -0.028 0.000 1.401 243 H HN 0.252 nan 8.280 nan 0.000 0.524 244 A N 0.787 123.583 122.820 -0.039 0.000 1.877 244 A HA -0.173 4.147 4.320 0.000 0.000 0.216 244 A C 2.309 179.851 177.584 -0.070 0.000 1.186 244 A CA 1.769 53.748 52.037 -0.098 0.000 0.620 244 A CB -0.514 18.409 19.000 -0.128 0.000 0.822 244 A HN 0.398 nan 8.150 nan 0.000 0.443 245 M N 0.035 119.630 119.600 -0.008 0.000 2.082 245 M HA -0.169 4.311 4.480 0.000 0.000 0.258 245 M C 1.516 177.809 176.300 -0.011 0.000 1.069 245 M CA 1.748 57.067 55.300 0.031 0.000 1.102 245 M CB -1.575 31.067 32.600 0.071 0.000 1.336 245 M HN 0.353 nan 8.290 nan 0.000 0.404 246 D N -0.312 120.057 120.400 -0.052 0.000 2.149 246 D HA -0.112 4.528 4.640 0.000 0.000 0.201 246 D C 2.270 178.496 176.300 -0.124 0.000 0.972 246 D CA 0.967 54.924 54.000 -0.071 0.000 0.835 246 D CB -0.116 40.646 40.800 -0.064 0.000 0.966 246 D HN 0.361 nan 8.370 nan 0.000 0.476 247 Q N -0.266 119.398 119.800 -0.225 0.000 2.250 247 Q HA 0.072 4.412 4.340 0.000 0.000 0.200 247 Q C 2.052 177.974 176.000 -0.131 0.000 0.941 247 Q CA 0.463 56.131 55.803 -0.226 0.000 0.872 247 Q CB 0.728 29.230 28.738 -0.392 0.000 0.965 247 Q HN 0.220 nan 8.270 nan 0.000 0.480 248 V N -0.953 118.897 119.914 -0.107 0.000 2.948 248 V HA -0.005 4.115 4.120 0.000 0.000 0.234 248 V C 2.110 178.182 176.094 -0.036 0.000 1.205 248 V CA 0.480 62.739 62.300 -0.069 0.000 1.234 248 V CB 0.049 31.829 31.823 -0.070 0.000 1.020 248 V HN -0.063 nan 8.190 nan 0.000 0.491 249 V N 0.138 120.043 119.914 -0.015 0.000 2.302 249 V HA -0.124 3.996 4.120 0.000 0.000 0.243 249 V C 2.407 178.517 176.094 0.027 0.000 1.036 249 V CA 1.433 63.745 62.300 0.019 0.000 1.020 249 V CB -0.486 31.378 31.823 0.068 0.000 0.657 249 V HN 0.324 nan 8.190 nan 0.000 0.453 250 L N 0.127 121.368 121.223 0.031 0.000 2.012 250 L HA -0.081 4.259 4.340 0.000 0.000 0.210 250 L C 0.165 177.050 176.870 0.026 0.000 1.073 250 L CA 2.366 57.228 54.840 0.037 0.000 0.748 250 L CB -2.635 39.446 42.059 0.037 0.000 0.891 250 L HN 0.311 nan 8.230 nan 0.000 0.431 251 P HA -0.121 nan 4.420 nan 0.000 0.216 251 P C 1.611 178.920 177.300 0.015 0.000 1.150 251 P CA 1.792 64.895 63.100 0.006 0.000 0.837 251 P CB -0.030 31.661 31.700 -0.014 0.000 0.786 252 A N -0.461 122.364 122.820 0.007 0.000 1.877 252 A HA -0.166 4.154 4.320 0.000 0.000 0.216 252 A C 2.225 179.846 177.584 0.063 0.000 1.186 252 A CA 1.484 53.527 52.037 0.010 0.000 0.620 252 A CB -1.657 17.325 19.000 -0.030 0.000 0.822 252 A HN 0.113 nan 8.150 nan 0.000 0.443 253 L N -1.144 120.115 121.223 0.059 0.000 2.046 253 L HA -0.183 4.157 4.340 0.000 0.000 0.208 253 L C 2.877 179.817 176.870 0.117 0.000 1.077 253 L CA 1.469 56.369 54.840 0.100 0.000 0.747 253 L CB -0.480 41.619 42.059 0.067 0.000 0.896 253 L HN 0.347 nan 8.230 nan 0.000 0.432 254 R N -0.112 120.433 120.500 0.075 0.000 2.092 254 R HA -0.096 4.244 4.340 0.000 0.000 0.231 254 R C 2.437 178.775 176.300 0.063 0.000 1.119 254 R CA 1.216 57.350 56.100 0.058 0.000 0.970 254 R CB -0.450 29.873 30.300 0.039 0.000 0.864 254 R HN 0.345 nan 8.270 nan 0.000 0.440 255 A N 0.288 123.154 122.820 0.077 0.000 1.933 255 A HA -0.206 4.114 4.320 0.000 0.000 0.218 255 A C 1.929 179.589 177.584 0.127 0.000 1.175 255 A CA 1.108 53.194 52.037 0.082 0.000 0.628 255 A CB -0.553 18.488 19.000 0.069 0.000 0.814 255 A HN 0.418 nan 8.150 nan 0.000 0.444 256 Y N -0.514 119.804 120.300 0.031 0.000 2.286 256 Y HA 0.032 4.582 4.550 0.000 0.000 0.293 256 Y C 0.500 176.414 175.900 0.024 0.000 1.124 256 Y CA 1.134 59.267 58.100 0.055 0.000 1.178 256 Y CB 0.293 38.791 38.460 0.062 0.000 1.010 256 Y HN 0.347 nan 8.280 nan 0.000 0.536 257 R N -0.005 120.503 120.500 0.013 0.000 3.209 257 R HA -0.143 4.197 4.340 0.000 0.000 0.252 257 R C -2.797 173.411 176.300 -0.153 0.000 0.958 257 R CA 0.612 56.668 56.100 -0.073 0.000 0.651 257 R CB -2.594 27.644 30.300 -0.103 0.000 1.142 257 R HN 0.346 nan 8.270 nan 0.000 0.441 258 P HA 0.080 nan 4.420 nan 0.000 0.274 258 P C 0.257 177.543 177.300 -0.023 0.000 1.237 258 P CA -0.144 62.967 63.100 0.017 0.000 0.793 258 P CB 0.634 32.454 31.700 0.201 0.000 0.977 259 Q N -0.427 119.350 119.800 -0.038 0.000 2.408 259 Q HA 0.226 4.566 4.340 0.000 0.000 0.205 259 Q C -0.034 175.955 176.000 -0.018 0.000 0.919 259 Q CA 0.570 56.353 55.803 -0.033 0.000 0.932 259 Q CB 0.052 28.763 28.738 -0.046 0.000 1.058 259 Q HN 0.248 nan 8.270 nan 0.000 0.517 260 L N -0.239 120.975 121.223 -0.017 0.000 2.526 260 L HA 0.478 4.818 4.340 0.000 0.000 0.263 260 L C -1.826 175.020 176.870 -0.040 0.000 0.943 260 L CA -0.622 54.203 54.840 -0.025 0.000 0.859 260 L CB 1.654 43.694 42.059 -0.031 0.000 1.313 260 L HN -0.083 nan 8.230 nan 0.000 0.406 261 I N 5.749 126.283 120.570 -0.061 0.000 2.336 261 I HA 0.450 4.620 4.170 0.000 0.000 0.292 261 I C -0.496 175.508 176.117 -0.188 0.000 0.991 261 I CA -0.338 60.895 61.300 -0.112 0.000 1.227 261 I CB 1.402 39.340 38.000 -0.103 0.000 1.366 261 I HN 0.476 nan 8.210 nan 0.000 0.466 262 I N 6.812 127.252 120.570 -0.217 0.000 2.378 262 I HA 0.321 4.491 4.170 0.000 0.000 0.291 262 I C -0.520 175.369 176.117 -0.379 0.000 0.992 262 I CA -0.820 60.316 61.300 -0.273 0.000 1.154 262 I CB 1.867 39.753 38.000 -0.190 0.000 1.315 262 I HN 0.181 nan 8.210 nan 0.000 0.448 263 V N 5.310 124.881 119.914 -0.573 0.000 2.333 263 V HA 0.332 4.452 4.120 0.000 0.000 0.274 263 V C 0.850 176.585 176.094 -0.599 0.000 1.028 263 V CA -0.650 61.207 62.300 -0.738 0.000 0.851 263 V CB 1.253 32.305 31.823 -1.284 0.000 1.000 263 V HN 0.925 nan 8.190 nan 0.000 0.456 264 G N 2.847 111.351 108.800 -0.493 0.000 2.588 264 G HA2 0.196 4.156 3.960 0.000 0.000 0.297 264 G HA3 0.196 4.156 3.960 0.000 0.000 0.297 264 G C 0.395 174.939 174.900 -0.593 0.000 0.874 264 G CA 0.024 44.867 45.100 -0.428 0.000 1.607 264 G HN 0.671 nan 8.290 nan 0.000 0.486 265 S N 2.433 117.798 115.700 -0.557 0.000 2.835 265 S HA 0.562 5.032 4.470 0.000 0.000 0.286 265 S C 0.870 175.146 174.600 -0.541 0.000 1.194 265 S CA -0.307 57.533 58.200 -0.600 0.000 1.031 265 S CB -0.214 62.854 63.200 -0.220 0.000 1.216 265 S HN 0.715 nan 8.310 nan 0.000 0.502 266 G N 2.236 110.779 108.800 -0.428 0.000 2.412 266 G HA2 0.589 4.549 3.960 0.000 0.000 0.318 266 G HA3 0.589 4.549 3.960 0.000 0.000 0.318 266 G C -0.357 174.225 174.900 -0.530 0.000 1.146 266 G CA -0.721 44.164 45.100 -0.359 0.000 0.882 266 G HN 0.693 nan 8.290 nan 0.000 0.501 267 F N -0.035 119.885 119.950 -0.050 0.000 2.735 267 F HA 0.165 4.692 4.527 0.000 0.000 0.304 267 F C 1.107 176.920 175.800 0.022 0.000 1.119 267 F CA -0.630 57.200 58.000 -0.283 0.000 1.280 267 F CB 0.988 39.656 39.000 -0.554 0.000 0.994 267 F HN 0.440 nan 8.300 nan 0.000 0.520 268 D N 0.036 120.585 120.400 0.248 0.000 2.349 268 D HA 0.011 4.651 4.640 0.000 0.000 0.224 268 D C 1.684 178.158 176.300 0.291 0.000 1.029 268 D CA 0.349 54.540 54.000 0.318 0.000 0.879 268 D CB -0.186 40.886 40.800 0.453 0.000 0.906 268 D HN 0.204 nan 8.370 nan 0.000 0.528 269 A N 0.468 123.488 122.820 0.333 0.000 2.238 269 A HA 0.156 4.476 4.320 0.000 0.000 0.208 269 A C 1.238 178.944 177.584 0.202 0.000 1.177 269 A CA 0.007 52.174 52.037 0.215 0.000 0.804 269 A CB -0.560 18.458 19.000 0.029 0.000 0.823 269 A HN 0.269 nan 8.150 nan 0.000 0.482 270 S N -1.222 114.709 115.700 0.386 0.000 2.579 270 S HA 0.181 4.651 4.470 0.000 0.000 0.275 270 S C 1.110 175.835 174.600 0.208 0.000 1.345 270 S CA 0.291 58.715 58.200 0.374 0.000 1.031 270 S CB 0.353 63.851 63.200 0.497 0.000 0.892 270 S HN 0.363 nan 8.310 nan 0.000 0.529 271 M N 2.611 122.291 119.600 0.133 0.000 2.146 271 M HA -0.088 4.392 4.480 0.000 0.000 0.256 271 M C 1.066 177.365 176.300 -0.001 0.000 1.075 271 M CA 1.883 57.181 55.300 -0.004 0.000 1.082 271 M CB -0.749 31.759 32.600 -0.152 0.000 1.355 271 M HN 0.792 nan 8.290 nan 0.000 0.402 272 L N -1.315 119.943 121.223 0.057 0.000 2.769 272 L HA 0.240 4.580 4.340 0.000 0.000 0.240 272 L C -0.118 176.855 176.870 0.171 0.000 1.163 272 L CA -0.509 54.377 54.840 0.077 0.000 0.962 272 L CB -0.450 41.622 42.059 0.020 0.000 1.258 272 L HN 0.079 nan 8.230 nan 0.000 0.513 273 D N 1.617 122.139 120.400 0.203 0.000 2.383 273 D HA 0.071 4.711 4.640 0.000 0.000 0.252 273 D C -1.039 175.390 176.300 0.215 0.000 1.166 273 D CA -1.284 52.866 54.000 0.250 0.000 0.879 273 D CB 1.364 42.342 40.800 0.297 0.000 1.164 273 D HN -0.044 nan 8.370 nan 0.000 0.462 274 P HA -0.103 nan 4.420 nan 0.000 0.219 274 P C 1.033 178.426 177.300 0.156 0.000 1.150 274 P CA 0.781 63.980 63.100 0.165 0.000 0.814 274 P CB 0.335 32.124 31.700 0.148 0.000 0.787 275 L N -1.583 119.765 121.223 0.210 0.000 2.611 275 L HA 0.361 4.701 4.340 0.000 0.000 0.229 275 L C 1.022 178.063 176.870 0.286 0.000 1.137 275 L CA -0.228 54.735 54.840 0.206 0.000 0.901 275 L CB -0.139 41.985 42.059 0.109 0.000 1.098 275 L HN -0.024 nan 8.230 nan 0.000 0.456 276 A N -0.693 122.256 122.820 0.215 0.000 2.581 276 A HA 0.665 4.985 4.320 0.000 0.000 0.290 276 A C -0.393 177.275 177.584 0.139 0.000 1.119 276 A CA -0.664 51.471 52.037 0.162 0.000 0.670 276 A CB 1.083 20.143 19.000 0.100 0.000 1.280 276 A HN 0.010 nan 8.150 nan 0.000 0.425 277 R N 0.048 120.622 120.500 0.122 0.000 2.633 277 R HA 0.292 4.632 4.340 0.000 0.000 0.348 277 R C -0.415 175.942 176.300 0.095 0.000 1.100 277 R CA -0.131 56.028 56.100 0.099 0.000 1.068 277 R CB -0.012 30.341 30.300 0.087 0.000 1.351 277 R HN 0.648 nan 8.270 nan 0.000 0.575 278 M N -0.091 119.574 119.600 0.110 0.000 2.494 278 M HA 0.412 4.892 4.480 0.000 0.000 0.300 278 M C 0.971 177.300 176.300 0.049 0.000 1.189 278 M CA -0.383 54.981 55.300 0.105 0.000 0.982 278 M CB 0.926 33.618 32.600 0.154 0.000 1.534 278 M HN -0.064 nan 8.290 nan 0.000 0.488 279 M N 0.627 120.233 119.600 0.010 0.000 2.692 279 M HA 0.228 4.709 4.480 0.000 0.000 0.372 279 M C -0.614 175.623 176.300 -0.105 0.000 1.192 279 M CA -0.207 55.069 55.300 -0.039 0.000 0.928 279 M CB 0.402 32.981 32.600 -0.035 0.000 1.366 279 M HN 0.216 nan 8.290 nan 0.000 0.517 280 V N 1.638 121.440 119.914 -0.187 0.000 2.572 280 V HA 0.168 4.288 4.120 0.000 0.000 0.291 280 V C 0.900 176.885 176.094 -0.180 0.000 1.039 280 V CA -0.064 61.998 62.300 -0.397 0.000 1.055 280 V CB 0.797 32.042 31.823 -0.962 0.000 0.969 280 V HN 0.536 nan 8.190 nan 0.000 0.482 281 T N 1.917 116.376 114.554 -0.158 0.000 2.936 281 T HA 0.622 4.973 4.350 0.000 0.000 0.282 281 T C 1.258 176.025 174.700 0.111 0.000 1.003 281 T CA -0.100 62.060 62.100 0.100 0.000 1.005 281 T CB 1.776 70.677 68.868 0.055 0.000 1.097 281 T HN 0.720 nan 8.240 nan 0.000 0.532 282 A N 0.304 123.266 122.820 0.236 0.000 1.986 282 A HA -0.104 4.216 4.320 0.000 0.000 0.220 282 A C 1.943 179.589 177.584 0.104 0.000 1.171 282 A CA 2.266 54.379 52.037 0.127 0.000 0.640 282 A CB -1.333 17.664 19.000 -0.005 0.000 0.811 282 A HN 1.007 nan 8.150 nan 0.000 0.451 283 D N -1.059 119.395 120.400 0.090 0.000 2.183 283 D HA 0.023 4.663 4.640 0.000 0.000 0.203 283 D C 1.973 178.263 176.300 -0.018 0.000 0.969 283 D CA 1.358 55.389 54.000 0.052 0.000 0.842 283 D CB -0.363 40.492 40.800 0.092 0.000 0.957 283 D HN 0.293 nan 8.370 nan 0.000 0.484 284 G N -0.488 108.249 108.800 -0.106 0.000 2.446 284 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 284 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 284 G C 1.321 176.030 174.900 -0.317 0.000 1.168 284 G CA 0.620 45.566 45.100 -0.256 0.000 0.771 284 G HN 0.262 nan 8.290 nan 0.000 0.551 285 F N 0.669 120.521 119.950 -0.165 0.000 2.186 285 F HA 0.094 4.621 4.527 -0.000 0.000 0.299 285 F C 2.668 178.406 175.800 -0.103 0.000 1.090 285 F CA 1.158 59.038 58.000 -0.201 0.000 1.307 285 F CB -0.420 38.549 39.000 -0.053 0.000 1.019 285 F HN 0.023 nan 8.300 nan 0.000 0.489 286 R N 0.564 121.135 120.500 0.118 0.000 2.094 286 R HA -0.247 4.093 4.340 0.000 0.000 0.239 286 R C 2.130 178.468 176.300 0.063 0.000 1.137 286 R CA 2.251 58.397 56.100 0.077 0.000 0.943 286 R CB -0.387 29.940 30.300 0.044 0.000 0.850 286 R HN 0.352 nan 8.270 nan 0.000 0.433 287 Q N -0.398 119.414 119.800 0.020 0.000 2.119 287 Q HA -0.146 4.194 4.340 0.000 0.000 0.201 287 Q C 2.247 178.265 176.000 0.030 0.000 0.972 287 Q CA 1.817 57.633 55.803 0.022 0.000 0.847 287 Q CB -0.061 28.676 28.738 -0.002 0.000 0.903 287 Q HN 0.408 nan 8.270 nan 0.000 0.433 288 M N 0.144 119.713 119.600 -0.051 0.000 2.117 288 M HA -0.192 4.288 4.480 0.000 0.000 0.262 288 M C 2.338 178.746 176.300 0.179 0.000 1.065 288 M CA 1.611 56.861 55.300 -0.083 0.000 1.114 288 M CB -0.298 31.968 32.600 -0.558 0.000 1.361 288 M HN 0.269 nan 8.290 nan 0.000 0.408 289 A N 0.143 123.124 122.820 0.269 0.000 1.877 289 A HA -0.210 4.110 4.320 0.000 0.000 0.216 289 A C 2.069 179.896 177.584 0.406 0.000 1.186 289 A CA 2.041 54.417 52.037 0.566 0.000 0.620 289 A CB -0.647 18.577 19.000 0.375 0.000 0.822 289 A HN 0.381 nan 8.150 nan 0.000 0.443 290 R N -0.032 120.608 120.500 0.233 0.000 2.096 290 R HA -0.130 4.210 4.340 0.000 0.000 0.240 290 R C 2.265 178.671 176.300 0.176 0.000 1.139 290 R CA 2.140 58.344 56.100 0.173 0.000 0.952 290 R CB -0.503 29.862 30.300 0.108 0.000 0.854 290 R HN 0.553 nan 8.270 nan 0.000 0.436 291 R N -1.097 119.503 120.500 0.168 0.000 2.091 291 R HA -0.075 4.265 4.340 0.000 0.000 0.238 291 R C 2.175 178.581 176.300 0.178 0.000 1.136 291 R CA 2.121 58.311 56.100 0.149 0.000 0.959 291 R CB -0.402 29.975 30.300 0.128 0.000 0.856 291 R HN 0.328 nan 8.270 nan 0.000 0.437 292 T N 0.772 115.481 114.554 0.258 0.000 2.857 292 T HA -0.012 4.338 4.350 0.000 0.000 0.266 292 T C 1.877 176.699 174.700 0.202 0.000 1.048 292 T CA 0.941 63.184 62.100 0.240 0.000 1.139 292 T CB -0.080 68.982 68.868 0.322 0.000 0.874 292 T HN 0.124 nan 8.240 nan 0.000 0.455 293 I N 1.534 122.266 120.570 0.270 0.000 2.202 293 I HA -0.151 4.019 4.170 0.000 0.000 0.242 293 I C 2.339 178.548 176.117 0.152 0.000 1.091 293 I CA 1.172 62.613 61.300 0.234 0.000 1.368 293 I CB -0.378 37.786 38.000 0.273 0.000 1.058 293 I HN 0.077 nan 8.210 nan 0.000 0.410 294 D N 0.284 120.767 120.400 0.138 0.000 2.123 294 D HA -0.226 4.414 4.640 0.000 0.000 0.196 294 D C 2.210 178.561 176.300 0.085 0.000 0.992 294 D CA 1.259 55.319 54.000 0.100 0.000 0.833 294 D CB -0.648 40.206 40.800 0.090 0.000 0.954 294 D HN 0.398 nan 8.370 nan 0.000 0.455 295 C N 1.023 120.378 119.300 0.092 0.000 2.413 295 C HA -0.072 4.388 4.460 0.000 0.000 0.276 295 C C 2.908 177.936 174.990 0.063 0.000 1.236 295 C CA 1.484 60.546 59.018 0.074 0.000 1.735 295 C CB -1.122 26.665 27.740 0.078 0.000 2.031 295 C HN 0.359 nan 8.230 nan 0.000 0.474 296 A N 0.265 123.126 122.820 0.068 0.000 1.948 296 A HA 0.013 4.333 4.320 0.000 0.000 0.220 296 A C 2.444 180.060 177.584 0.053 0.000 1.177 296 A CA 2.430 54.499 52.037 0.054 0.000 0.636 296 A CB -1.091 17.942 19.000 0.056 0.000 0.815 296 A HN 0.892 nan 8.150 nan 0.000 0.449 297 A N -0.339 122.519 122.820 0.063 0.000 1.898 297 A HA -0.154 4.166 4.320 0.000 0.000 0.216 297 A C 1.823 179.432 177.584 0.042 0.000 1.181 297 A CA 1.794 53.863 52.037 0.055 0.000 0.620 297 A CB -0.485 18.552 19.000 0.061 0.000 0.819 297 A HN 0.455 nan 8.150 nan 0.000 0.442 298 D N -0.113 120.312 120.400 0.042 0.000 2.117 298 D HA -0.106 4.534 4.640 0.000 0.000 0.198 298 D C 1.896 178.212 176.300 0.027 0.000 0.982 298 D CA 1.835 55.855 54.000 0.033 0.000 0.828 298 D CB -0.174 40.647 40.800 0.035 0.000 0.967 298 D HN 0.717 nan 8.370 nan 0.000 0.464 299 I N -1.964 118.623 120.570 0.028 0.000 3.939 299 I HA 0.140 4.311 4.170 0.000 0.000 0.313 299 I C 0.716 176.840 176.117 0.012 0.000 1.274 299 I CA 0.058 61.370 61.300 0.020 0.000 1.301 299 I CB 0.491 38.506 38.000 0.026 0.000 1.105 299 I HN 0.000 nan 8.210 nan 0.000 0.427 300 C N -0.014 119.297 119.300 0.017 0.000 3.158 300 C HA 0.481 4.941 4.460 0.000 0.000 0.228 300 C C -0.033 174.968 174.990 0.017 0.000 2.110 300 C CA -0.918 58.106 59.018 0.010 0.000 1.407 300 C CB -1.036 26.707 27.740 0.006 0.000 2.635 300 C HN 0.502 nan 8.230 nan 0.000 0.509 301 D N 1.350 121.763 120.400 0.020 0.000 2.751 301 D HA -0.166 4.474 4.640 0.000 0.000 0.233 301 D C 1.510 177.832 176.300 0.036 0.000 1.149 301 D CA 2.237 56.252 54.000 0.025 0.000 0.682 301 D CB -1.392 39.419 40.800 0.020 0.000 1.068 301 D HN 1.721 nan 8.370 nan 0.000 0.429 302 G N -0.061 108.765 108.800 0.043 0.000 2.175 302 G HA2 -0.422 3.539 3.960 0.000 0.000 0.265 302 G HA3 -0.422 3.539 3.960 0.000 0.000 0.265 302 G C 0.370 175.307 174.900 0.062 0.000 0.979 302 G CA 0.479 45.614 45.100 0.060 0.000 0.663 302 G HN 0.528 nan 8.290 nan 0.000 0.533 303 R N 0.003 120.529 120.500 0.043 0.000 2.357 303 R HA 0.516 4.856 4.340 0.000 0.000 0.330 303 R C 0.035 176.347 176.300 0.019 0.000 1.102 303 R CA 0.232 56.353 56.100 0.035 0.000 0.974 303 R CB 0.285 30.598 30.300 0.021 0.000 1.002 303 R HN 0.477 nan 8.270 nan 0.000 0.463 304 I N 2.349 122.940 120.570 0.036 0.000 2.607 304 I HA 0.286 4.456 4.170 0.000 0.000 0.290 304 I C -1.368 174.757 176.117 0.013 0.000 1.129 304 I CA -0.972 60.319 61.300 -0.016 0.000 1.042 304 I CB 2.092 40.092 38.000 0.000 0.000 1.242 304 I HN 0.173 nan 8.210 nan 0.000 0.421 305 V N 7.727 127.576 119.914 -0.109 0.000 2.483 305 V HA 0.438 4.559 4.120 0.000 0.000 0.297 305 V C -0.725 175.230 176.094 -0.231 0.000 1.027 305 V CA -0.424 61.841 62.300 -0.058 0.000 0.855 305 V CB 1.506 33.297 31.823 -0.054 0.000 0.995 305 V HN 0.453 nan 8.190 nan 0.000 0.424 306 F N 3.780 123.610 119.950 -0.200 0.000 2.408 306 F HA 0.647 5.174 4.527 0.000 0.000 0.344 306 F C 0.192 175.608 175.800 -0.641 0.000 1.112 306 F CA -0.537 57.193 58.000 -0.450 0.000 1.096 306 F CB 1.811 40.515 39.000 -0.494 0.000 1.129 306 F HN 0.176 nan 8.300 nan 0.000 0.486 307 V N 3.088 122.741 119.914 -0.436 0.000 2.525 307 V HA 0.245 4.365 4.120 0.000 0.000 0.299 307 V C -0.362 175.538 176.094 -0.324 0.000 1.034 307 V CA -1.119 60.969 62.300 -0.353 0.000 0.863 307 V CB 1.459 33.148 31.823 -0.223 0.000 0.999 307 V HN 0.597 nan 8.190 nan 0.000 0.423 308 Q N 4.030 123.713 119.800 -0.195 0.000 2.320 308 Q HA 0.011 4.351 4.340 0.000 0.000 0.311 308 Q C 0.402 176.339 176.000 -0.104 0.000 1.083 308 Q CA 1.144 56.941 55.803 -0.010 0.000 1.001 308 Q CB 0.444 29.306 28.738 0.205 0.000 1.074 308 Q HN 0.733 nan 8.270 nan 0.000 0.379 309 E N 2.193 122.293 120.200 -0.166 0.000 3.617 309 E HA 0.458 4.808 4.350 0.000 0.000 0.351 309 E C 0.299 176.854 176.600 -0.077 0.000 0.551 309 E CA 0.085 56.368 56.400 -0.195 0.000 2.098 309 E CB -0.614 28.814 29.700 -0.453 0.000 2.118 309 E HN 0.685 nan 8.360 nan 0.000 0.450 310 G N -1.269 107.504 108.800 -0.046 0.000 2.543 310 G HA2 0.519 4.479 3.960 0.000 0.000 0.267 310 G HA3 0.519 4.479 3.960 0.000 0.000 0.267 310 G C -0.301 174.492 174.900 -0.179 0.000 1.406 310 G CA -0.048 45.045 45.100 -0.011 0.000 1.048 310 G HN 0.540 nan 8.290 nan 0.000 0.548 311 G N -2.939 105.499 108.800 -0.603 0.000 2.760 311 G HA2 0.223 4.183 3.960 0.000 0.000 0.540 311 G HA3 0.223 4.183 3.960 0.000 0.000 0.540 311 G C -0.871 173.598 174.900 -0.717 0.000 1.476 311 G CA -0.481 44.412 45.100 -0.345 0.000 0.949 311 G HN 0.694 nan 8.290 nan 0.000 0.633 312 Y N 0.975 121.408 120.300 0.222 0.000 2.563 312 Y HA 0.492 5.042 4.550 -0.000 0.000 0.250 312 Y C 1.514 177.502 175.900 0.146 0.000 1.126 312 Y CA 0.035 58.250 58.100 0.193 0.000 1.231 312 Y CB 1.431 40.020 38.460 0.214 0.000 1.288 312 Y HN 0.595 nan 8.280 nan 0.000 0.537 313 S N 3.740 119.560 115.700 0.201 0.000 2.411 313 S HA 0.173 4.643 4.470 0.000 0.000 0.304 313 S C -1.553 173.063 174.600 0.027 0.000 1.098 313 S CA -1.580 56.710 58.200 0.150 0.000 1.068 313 S CB 0.646 63.980 63.200 0.224 0.000 1.032 313 S HN 0.042 nan 8.310 nan 0.000 0.511 314 P HA -0.134 nan 4.420 nan 0.000 0.218 314 P C 0.976 178.191 177.300 -0.142 0.000 1.149 314 P CA 1.210 64.212 63.100 -0.163 0.000 0.817 314 P CB -0.049 31.494 31.700 -0.261 0.000 0.785 315 H N -1.797 117.349 119.070 0.128 0.000 2.299 315 H HA -0.119 4.437 4.556 0.000 0.000 0.302 315 H C 1.887 177.335 175.328 0.201 0.000 1.078 315 H CA 1.426 57.580 56.048 0.176 0.000 1.323 315 H CB -1.030 28.818 29.762 0.143 0.000 1.381 315 H HN 0.173 nan 8.280 nan 0.000 0.498 316 Y N 0.691 121.009 120.300 0.030 0.000 2.522 316 Y HA 0.115 4.665 4.550 0.000 0.000 0.277 316 Y C 2.512 178.376 175.900 -0.059 0.000 1.104 316 Y CA -0.154 57.886 58.100 -0.100 0.000 1.260 316 Y CB -0.393 37.925 38.460 -0.236 0.000 1.151 316 Y HN 0.006 nan 8.280 nan 0.000 0.539 317 L N 1.108 122.247 121.223 -0.140 0.000 2.021 317 L HA -0.191 4.149 4.340 0.000 0.000 0.215 317 L C -0.860 175.631 176.870 -0.631 0.000 1.074 317 L CA 1.958 56.578 54.840 -0.367 0.000 0.760 317 L CB -1.282 40.685 42.059 -0.154 0.000 0.889 317 L HN 0.067 nan 8.230 nan 0.000 0.433 318 P HA -0.207 nan 4.420 nan 0.000 0.216 318 P C 1.257 178.074 177.300 -0.805 0.000 1.154 318 P CA 1.825 64.579 63.100 -0.577 0.000 0.865 318 P CB -0.142 31.297 31.700 -0.436 0.000 0.789 319 F N -1.661 117.996 119.950 -0.487 0.000 2.367 319 F HA -0.101 4.426 4.527 -0.000 0.000 0.298 319 F C 2.419 177.823 175.800 -0.660 0.000 1.094 319 F CA 0.686 58.420 58.000 -0.444 0.000 1.409 319 F CB -1.373 37.502 39.000 -0.209 0.000 1.064 319 F HN -0.029 nan 8.300 nan 0.000 0.528 320 C N -0.015 118.785 119.300 -0.832 0.000 2.453 320 C HA -0.066 4.394 4.460 0.000 0.000 0.277 320 C C 3.145 177.312 174.990 -1.370 0.000 1.262 320 C CA 1.264 59.694 59.018 -0.980 0.000 1.718 320 C CB -1.597 25.424 27.740 -1.198 0.000 2.031 320 C HN 0.628 nan 8.230 nan 0.000 0.480 321 G N 0.252 107.884 108.800 -1.946 0.000 2.404 321 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 321 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 321 G C 1.521 175.806 174.900 -1.024 0.000 1.174 321 G CA 0.768 44.606 45.100 -2.102 0.000 0.780 321 G HN 0.424 nan 8.290 nan 0.000 0.537 322 L N 1.491 122.264 121.223 -0.751 0.000 2.043 322 L HA -0.023 4.317 4.340 0.000 0.000 0.212 322 L C 3.107 179.852 176.870 -0.209 0.000 1.075 322 L CA 2.148 56.809 54.840 -0.297 0.000 0.752 322 L CB -0.634 41.274 42.059 -0.253 0.000 0.891 322 L HN 0.258 nan 8.230 nan 0.000 0.432 323 A N -1.514 121.170 122.820 -0.226 0.000 1.940 323 A HA -0.163 4.157 4.320 0.000 0.000 0.219 323 A C 2.255 179.798 177.584 -0.069 0.000 1.176 323 A CA 2.021 53.995 52.037 -0.104 0.000 0.631 323 A CB -0.997 17.964 19.000 -0.064 0.000 0.814 323 A HN 0.313 nan 8.150 nan 0.000 0.446 324 V N 0.563 120.423 119.914 -0.091 0.000 2.307 324 V HA -0.215 3.905 4.120 0.000 0.000 0.245 324 V C 2.434 178.471 176.094 -0.096 0.000 1.045 324 V CA 1.594 63.878 62.300 -0.026 0.000 1.024 324 V CB -0.652 31.251 31.823 0.135 0.000 0.651 324 V HN 0.510 nan 8.190 nan 0.000 0.449 325 I N 0.409 120.912 120.570 -0.111 0.000 2.194 325 I HA -0.262 3.908 4.170 0.000 0.000 0.246 325 I C 2.510 178.591 176.117 -0.060 0.000 1.093 325 I CA 1.830 63.079 61.300 -0.085 0.000 1.355 325 I CB -1.249 36.688 38.000 -0.104 0.000 1.046 325 I HN 0.480 nan 8.210 nan 0.000 0.413 326 E N 0.318 120.479 120.200 -0.065 0.000 2.150 326 E HA -0.198 4.152 4.350 0.000 0.000 0.193 326 E C 1.982 178.564 176.600 -0.030 0.000 0.985 326 E CA 0.679 57.047 56.400 -0.054 0.000 0.814 326 E CB 0.023 29.691 29.700 -0.052 0.000 0.752 326 E HN 0.419 nan 8.360 nan 0.000 0.466 327 E N 0.553 120.745 120.200 -0.013 0.000 2.150 327 E HA -0.120 4.230 4.350 0.000 0.000 0.193 327 E C 2.138 178.760 176.600 0.037 0.000 0.985 327 E CA 0.643 57.056 56.400 0.020 0.000 0.814 327 E CB -0.060 29.669 29.700 0.050 0.000 0.752 327 E HN 0.329 nan 8.360 nan 0.000 0.466 328 L N 0.651 121.887 121.223 0.022 0.000 2.044 328 L HA -0.116 4.225 4.340 0.000 0.000 0.205 328 L C 2.621 179.522 176.870 0.052 0.000 1.075 328 L CA 1.723 56.599 54.840 0.061 0.000 0.747 328 L CB -0.594 41.507 42.059 0.071 0.000 0.903 328 L HN 0.196 nan 8.230 nan 0.000 0.435 329 T N -3.585 110.978 114.554 0.016 0.000 3.023 329 T HA 0.068 4.418 4.350 0.000 0.000 0.266 329 T C 1.551 176.231 174.700 -0.034 0.000 1.093 329 T CA 0.584 62.683 62.100 -0.001 0.000 1.129 329 T CB -0.011 68.841 68.868 -0.026 0.000 0.899 329 T HN 0.467 nan 8.240 nan 0.000 0.491 330 G N 0.575 109.356 108.800 -0.032 0.000 2.168 330 G HA2 -0.197 3.763 3.960 0.000 0.000 0.257 330 G HA3 -0.197 3.763 3.960 0.000 0.000 0.257 330 G C 0.008 174.852 174.900 -0.093 0.000 0.997 330 G CA 0.147 45.223 45.100 -0.041 0.000 0.708 330 G HN 0.828 nan 8.290 nan 0.000 0.520 331 V N 0.089 119.913 119.914 -0.150 0.000 2.407 331 V HA 0.572 4.692 4.120 0.000 0.000 0.291 331 V C 0.278 176.286 176.094 -0.144 0.000 1.018 331 V CA -0.997 61.170 62.300 -0.221 0.000 0.842 331 V CB 1.628 33.132 31.823 -0.532 0.000 0.996 331 V HN 0.268 nan 8.190 nan 0.000 0.426 332 R N 2.617 123.060 120.500 -0.095 0.000 2.391 332 R HA 0.386 4.726 4.340 0.000 0.000 0.310 332 R C 1.236 177.510 176.300 -0.044 0.000 1.174 332 R CA -0.074 55.991 56.100 -0.058 0.000 1.118 332 R CB 0.705 30.982 30.300 -0.040 0.000 1.134 332 R HN 0.747 nan 8.270 nan 0.000 0.524 333 S N 1.392 117.070 115.700 -0.037 0.000 2.402 333 S HA 0.001 4.471 4.470 0.000 0.000 0.229 333 S C 0.249 174.854 174.600 0.007 0.000 1.021 333 S CA 0.677 58.870 58.200 -0.013 0.000 0.974 333 S CB 0.020 63.215 63.200 -0.008 0.000 0.800 333 S HN 0.279 nan 8.310 nan 0.000 0.484 334 L N 1.145 122.379 121.223 0.019 0.000 2.545 334 L HA 0.478 4.818 4.340 0.000 0.000 0.258 334 L C -2.659 174.244 176.870 0.055 0.000 0.942 334 L CA -1.656 53.215 54.840 0.052 0.000 0.855 334 L CB 1.319 43.438 42.059 0.101 0.000 1.374 334 L HN -0.148 nan 8.230 nan 0.000 0.411 335 P HA 0.223 nan 4.420 nan 0.000 0.274 335 P C -1.165 176.153 177.300 0.030 0.000 1.246 335 P CA -0.305 62.799 63.100 0.007 0.000 0.795 335 P CB 0.454 32.135 31.700 -0.031 0.000 1.006 336 D N 1.674 122.087 120.400 0.022 0.000 2.338 336 D HA 0.058 4.698 4.640 0.000 0.000 0.255 336 D C -1.368 174.892 176.300 -0.067 0.000 1.237 336 D CA -2.008 51.991 54.000 -0.002 0.000 0.883 336 D CB 0.396 41.296 40.800 0.165 0.000 1.087 336 D HN 0.127 nan 8.370 nan 0.000 0.485 337 P HA -0.094 nan 4.420 nan 0.000 0.234 337 P C 0.395 177.514 177.300 -0.302 0.000 1.167 337 P CA 0.725 63.633 63.100 -0.319 0.000 0.763 337 P CB -0.003 31.390 31.700 -0.511 0.000 0.835 338 Y N -2.165 118.093 120.300 -0.069 0.000 2.458 338 Y HA 0.073 4.623 4.550 -0.000 0.000 0.256 338 Y C 2.619 178.540 175.900 0.036 0.000 1.159 338 Y CA -0.042 58.084 58.100 0.044 0.000 1.261 338 Y CB -0.693 37.738 38.460 -0.049 0.000 1.119 338 Y HN 0.054 nan 8.280 nan 0.000 0.524 339 H N 0.560 119.685 119.070 0.091 0.000 2.319 339 H HA -0.177 4.379 4.556 0.000 0.000 0.299 339 H C 2.092 177.431 175.328 0.018 0.000 1.092 339 H CA 2.319 58.395 56.048 0.047 0.000 1.302 339 H CB 0.331 30.108 29.762 0.026 0.000 1.373 339 H HN 0.079 nan 8.280 nan 0.000 0.497 340 E N -0.119 120.138 120.200 0.094 0.000 2.072 340 E HA -0.135 4.215 4.350 0.000 0.000 0.191 340 E C 2.041 178.649 176.600 0.015 0.000 0.985 340 E CA 1.038 57.465 56.400 0.044 0.000 0.801 340 E CB -0.692 29.066 29.700 0.098 0.000 0.750 340 E HN 0.554 nan 8.360 nan 0.000 0.452 341 F N 0.575 120.474 119.950 -0.085 0.000 2.161 341 F HA -0.135 4.392 4.527 0.000 0.000 0.300 341 F C 1.566 177.302 175.800 -0.107 0.000 1.089 341 F CA 1.436 59.387 58.000 -0.082 0.000 1.282 341 F CB -0.242 38.722 39.000 -0.059 0.000 1.010 341 F HN 0.032 nan 8.300 nan 0.000 0.485 342 L N -0.513 120.411 121.223 -0.499 0.000 2.513 342 L HA 0.228 4.568 4.340 0.000 0.000 0.222 342 L C 2.597 179.234 176.870 -0.389 0.000 1.096 342 L CA 0.562 55.031 54.840 -0.620 0.000 0.857 342 L CB -0.926 40.778 42.059 -0.591 0.000 1.026 342 L HN 0.179 nan 8.230 nan 0.000 0.469 343 A N 0.798 123.398 122.820 -0.366 0.000 1.933 343 A HA -0.081 4.239 4.320 0.000 0.000 0.218 343 A C 2.301 179.768 177.584 -0.194 0.000 1.175 343 A CA 1.736 53.574 52.037 -0.331 0.000 0.628 343 A CB -0.940 17.808 19.000 -0.420 0.000 0.814 343 A HN 0.399 nan 8.150 nan 0.000 0.444 344 G N -1.325 107.381 108.800 -0.157 0.000 2.712 344 G HA2 0.016 3.976 3.960 0.000 0.000 0.212 344 G HA3 0.016 3.976 3.960 0.000 0.000 0.212 344 G C 1.427 176.267 174.900 -0.100 0.000 1.142 344 G CA 0.625 45.666 45.100 -0.099 0.000 0.789 344 G HN 0.453 nan 8.290 nan 0.000 0.535 345 M N 0.278 119.793 119.600 -0.143 0.000 2.460 345 M HA 0.189 4.669 4.480 0.000 0.000 0.263 345 M C 1.462 177.703 176.300 -0.098 0.000 1.071 345 M CA 0.985 56.208 55.300 -0.130 0.000 1.096 345 M CB -0.105 32.380 32.600 -0.192 0.000 1.408 345 M HN 0.358 nan 8.290 nan 0.000 0.463 346 G N -1.308 107.435 108.800 -0.096 0.000 2.526 346 G HA2 0.145 4.105 3.960 0.000 0.000 0.250 346 G HA3 0.145 4.105 3.960 0.000 0.000 0.250 346 G C 0.286 175.143 174.900 -0.072 0.000 1.289 346 G CA -0.577 44.481 45.100 -0.070 0.000 0.947 346 G HN 0.644 nan 8.290 nan 0.000 0.517 347 G N -1.568 107.202 108.800 -0.050 0.000 2.234 347 G HA2 -0.251 3.709 3.960 0.000 0.000 0.235 347 G HA3 -0.251 3.709 3.960 0.000 0.000 0.235 347 G C 0.854 175.732 174.900 -0.036 0.000 0.997 347 G CA 1.151 46.227 45.100 -0.040 0.000 0.623 347 G HN 1.454 nan 8.290 nan 0.000 0.514 348 N N 0.774 119.449 118.700 -0.042 0.000 2.236 348 N HA 0.148 4.888 4.740 0.000 0.000 0.196 348 N C -0.008 175.484 175.510 -0.031 0.000 1.114 348 N CA 0.864 53.892 53.050 -0.036 0.000 0.859 348 N CB 0.582 39.045 38.487 -0.040 0.000 0.982 348 N HN 0.436 nan 8.380 nan 0.000 0.493 349 T N 1.182 115.716 114.554 -0.034 0.000 2.797 349 T HA 0.276 4.626 4.350 0.000 0.000 0.279 349 T C -0.093 174.577 174.700 -0.049 0.000 0.991 349 T CA -0.561 61.516 62.100 -0.039 0.000 0.979 349 T CB 2.180 71.026 68.868 -0.036 0.000 0.943 349 T HN -0.082 nan 8.240 nan 0.000 0.444 350 L N 5.098 126.278 121.223 -0.073 0.000 2.515 350 L HA 0.315 4.655 4.340 0.000 0.000 0.281 350 L C -0.385 176.425 176.870 -0.101 0.000 1.131 350 L CA 0.073 54.847 54.840 -0.111 0.000 0.905 350 L CB -0.607 41.327 42.059 -0.209 0.000 1.246 350 L HN 0.545 nan 8.230 nan 0.000 0.463 351 L N 4.302 125.480 121.223 -0.074 0.000 2.439 351 L HA 0.124 4.464 4.340 0.000 0.000 0.269 351 L C 1.201 178.031 176.870 -0.067 0.000 1.179 351 L CA -0.573 54.232 54.840 -0.058 0.000 0.828 351 L CB 0.357 42.393 42.059 -0.038 0.000 1.106 351 L HN 0.566 nan 8.230 nan 0.000 0.467 352 D N 1.833 122.201 120.400 -0.053 0.000 2.158 352 D HA -0.177 4.463 4.640 0.000 0.000 0.197 352 D C 1.863 178.139 176.300 -0.041 0.000 0.995 352 D CA 1.741 55.712 54.000 -0.048 0.000 0.846 352 D CB 0.119 40.898 40.800 -0.034 0.000 0.941 352 D HN 0.708 nan 8.370 nan 0.000 0.456 353 A N 0.585 123.386 122.820 -0.033 0.000 2.014 353 A HA -0.129 4.192 4.320 0.000 0.000 0.218 353 A C 2.034 179.597 177.584 -0.036 0.000 1.163 353 A CA 1.020 53.041 52.037 -0.027 0.000 0.652 353 A CB -0.263 18.727 19.000 -0.017 0.000 0.808 353 A HN 0.192 nan 8.150 nan 0.000 0.449 354 E N -0.478 119.696 120.200 -0.044 0.000 2.028 354 E HA -0.156 4.194 4.350 0.000 0.000 0.190 354 E C 2.267 178.839 176.600 -0.046 0.000 0.984 354 E CA 0.924 57.294 56.400 -0.050 0.000 0.800 354 E CB -0.218 29.450 29.700 -0.053 0.000 0.758 354 E HN 0.554 nan 8.360 nan 0.000 0.448 355 R N 0.869 121.326 120.500 -0.073 0.000 2.096 355 R HA -0.222 4.118 4.340 0.000 0.000 0.240 355 R C 2.280 178.581 176.300 0.002 0.000 1.139 355 R CA 1.618 57.681 56.100 -0.062 0.000 0.952 355 R CB -0.293 29.930 30.300 -0.128 0.000 0.854 355 R HN 0.178 nan 8.270 nan 0.000 0.436 356 A N 0.635 123.444 122.820 -0.019 0.000 1.877 356 A HA -0.118 4.202 4.320 0.000 0.000 0.216 356 A C 2.397 179.967 177.584 -0.023 0.000 1.186 356 A CA 1.770 53.798 52.037 -0.015 0.000 0.620 356 A CB -0.894 18.095 19.000 -0.020 0.000 0.822 356 A HN 0.565 nan 8.150 nan 0.000 0.443 357 A N -0.104 122.692 122.820 -0.040 0.000 1.927 357 A HA -0.190 4.131 4.320 0.000 0.000 0.220 357 A C 2.116 179.662 177.584 -0.062 0.000 1.185 357 A CA 1.876 53.872 52.037 -0.068 0.000 0.639 357 A CB -0.661 18.285 19.000 -0.090 0.000 0.820 357 A HN 0.541 nan 8.150 nan 0.000 0.451 358 I N -1.095 119.458 120.570 -0.029 0.000 2.406 358 I HA -0.123 4.047 4.170 0.000 0.000 0.249 358 I C 2.356 178.464 176.117 -0.015 0.000 1.122 358 I CA 0.841 62.129 61.300 -0.021 0.000 1.431 358 I CB -0.288 37.744 38.000 0.053 0.000 1.087 358 I HN 0.201 nan 8.210 nan 0.000 0.424 359 E N 1.113 121.320 120.200 0.012 0.000 2.153 359 E HA -0.219 4.131 4.350 0.000 0.000 0.194 359 E C 1.941 178.533 176.600 -0.014 0.000 0.988 359 E CA 1.060 57.464 56.400 0.007 0.000 0.811 359 E CB -0.170 29.543 29.700 0.021 0.000 0.746 359 E HN 0.534 nan 8.360 nan 0.000 0.466 360 E N 0.079 120.265 120.200 -0.023 0.000 2.219 360 E HA -0.168 4.182 4.350 0.000 0.000 0.198 360 E C 1.732 178.313 176.600 -0.032 0.000 0.998 360 E CA 0.645 57.029 56.400 -0.027 0.000 0.818 360 E CB 0.029 29.708 29.700 -0.035 0.000 0.741 360 E HN 0.226 nan 8.360 nan 0.000 0.477 361 I N 0.280 120.825 120.570 -0.042 0.000 2.852 361 I HA -0.111 4.059 4.170 0.000 0.000 0.264 361 I C 2.551 178.639 176.117 -0.048 0.000 1.179 361 I CA 0.477 61.748 61.300 -0.048 0.000 1.480 361 I CB -1.172 36.791 38.000 -0.061 0.000 1.111 361 I HN 0.067 nan 8.210 nan 0.000 0.441 362 V N 3.211 123.099 119.914 -0.044 0.000 2.324 362 V HA -0.135 3.985 4.120 0.000 0.000 0.250 362 V C -0.325 175.746 176.094 -0.038 0.000 1.060 362 V CA 2.010 64.284 62.300 -0.043 0.000 1.042 362 V CB -1.852 29.946 31.823 -0.043 0.000 0.650 362 V HN 0.189 nan 8.190 nan 0.000 0.450 363 P HA -0.108 nan 4.420 nan 0.000 0.220 363 P C 1.811 179.087 177.300 -0.040 0.000 1.144 363 P CA 1.467 64.550 63.100 -0.028 0.000 0.800 363 P CB -0.218 31.470 31.700 -0.020 0.000 0.772 364 L N -1.903 119.288 121.223 -0.053 0.000 2.291 364 L HA -0.080 4.260 4.340 0.000 0.000 0.214 364 L C 2.242 179.053 176.870 -0.098 0.000 1.120 364 L CA 0.731 55.522 54.840 -0.081 0.000 0.799 364 L CB -0.868 41.136 42.059 -0.093 0.000 0.925 364 L HN 0.011 nan 8.230 nan 0.000 0.446 365 L N 0.325 121.503 121.223 -0.074 0.000 2.079 365 L HA -0.227 4.113 4.340 0.000 0.000 0.210 365 L C 2.936 179.769 176.870 -0.062 0.000 1.081 365 L CA 1.204 56.004 54.840 -0.067 0.000 0.752 365 L CB -0.750 41.282 42.059 -0.045 0.000 0.896 365 L HN 0.289 nan 8.230 nan 0.000 0.433 366 A N -0.253 122.536 122.820 -0.051 0.000 1.978 366 A HA -0.216 4.104 4.320 0.000 0.000 0.220 366 A C 1.663 179.220 177.584 -0.044 0.000 1.170 366 A CA 1.844 53.859 52.037 -0.036 0.000 0.636 366 A CB -0.417 18.568 19.000 -0.024 0.000 0.810 366 A HN 0.407 nan 8.150 nan 0.000 0.448 367 D N -0.463 119.890 120.400 -0.079 0.000 2.336 367 D HA 0.183 4.823 4.640 0.000 0.000 0.229 367 D C 0.612 176.798 176.300 -0.190 0.000 1.061 367 D CA 0.216 54.153 54.000 -0.105 0.000 0.875 367 D CB 0.022 40.753 40.800 -0.115 0.000 0.904 367 D HN 0.480 nan 8.370 nan 0.000 0.525 368 I N 0.000 120.479 120.570 -0.152 0.000 2.984 368 I HA 0.000 4.170 4.170 0.000 0.000 0.288 368 I CA 0.000 61.229 61.300 -0.118 0.000 1.566 368 I CB 0.000 37.970 38.000 -0.049 0.000 1.214 368 I HN 0.000 nan 8.210 nan 0.000 0.494