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 1vcg_1_A DATA FIRST_RESID 9 DATA SEQUENCE KHLEACLEGE VAYQKTTTGL EGFRLRYQAL AGLALSEVDL TTPFLGKTLK DATA SEQUENCE APFLIGAXTX XXXXXERINL ALAEAAEALG VGXXLGSGRI LLERPXXXXX DATA SEQUENCE XXVRKVAPKA LLIANLGLAQ LRRYGRDDLL RLVEXLEADA LAFHVNPLQE DATA SEQUENCE AVQRGDTDFR GLVERLAELL PLPFPVXVKE VGHGLSREAA LALRDLPLAA DATA SEQUENCE VDVAGAGGTS WARVEEWVRF GEVRHPELCE IGIPTARAIL EVREVLPHLP DATA SEQUENCE LVASGGVYTG TDGAKALALG ADLLAVARPL LRPALEGAER VAAWIGDYLE DATA SEQUENCE ELRTALFAIG ARNPKEARGR VERV 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.696 176.600 0.160 0.000 0.988 9 K CA 0.000 56.378 56.287 0.152 0.000 0.838 9 K CB 0.000 32.607 32.500 0.178 0.000 1.064 10 H N 1.842 120.962 119.070 0.083 0.000 2.389 10 H HA 0.047 4.603 4.556 -0.000 0.000 0.299 10 H C 1.759 177.112 175.328 0.040 0.000 1.081 10 H CA 1.469 57.576 56.048 0.099 0.000 1.345 10 H CB 0.173 30.082 29.762 0.245 0.000 1.393 10 H HN 0.004 nan 8.280 nan 0.000 0.520 11 L N 0.923 122.255 121.223 0.182 0.000 2.141 11 L HA -0.116 4.224 4.340 -0.000 0.000 0.209 11 L C 1.950 178.830 176.870 0.016 0.000 1.094 11 L CA 1.758 56.648 54.840 0.084 0.000 0.763 11 L CB -0.596 41.506 42.059 0.071 0.000 0.908 11 L HN 0.377 nan 8.230 nan 0.000 0.437 12 E N -0.251 119.967 120.200 0.029 0.000 2.047 12 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 12 E C 2.143 178.708 176.600 -0.058 0.000 0.987 12 E CA 1.209 57.612 56.400 0.005 0.000 0.799 12 E CB 0.096 29.823 29.700 0.045 0.000 0.752 12 E HN 0.561 nan 8.360 nan 0.000 0.449 13 A N 0.618 123.389 122.820 -0.082 0.000 1.883 13 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 13 A C 2.478 179.816 177.584 -0.410 0.000 1.186 13 A CA 1.574 53.453 52.037 -0.264 0.000 0.624 13 A CB -0.993 17.880 19.000 -0.212 0.000 0.822 13 A HN 0.517 nan 8.150 nan 0.000 0.444 14 C N -0.928 118.190 119.300 -0.303 0.000 2.419 14 C HA -0.016 4.444 4.460 -0.000 0.000 0.281 14 C C 2.371 177.214 174.990 -0.245 0.000 1.336 14 C CA 0.839 59.674 59.018 -0.305 0.000 1.770 14 C CB -1.129 26.485 27.740 -0.211 0.000 1.929 14 C HN 0.601 nan 8.230 nan 0.000 0.509 15 L N 0.541 121.652 121.223 -0.186 0.000 2.307 15 L HA 0.085 4.425 4.340 -0.000 0.000 0.211 15 L C 1.818 178.596 176.870 -0.154 0.000 1.099 15 L CA 1.830 56.586 54.840 -0.140 0.000 0.816 15 L CB -0.621 41.389 42.059 -0.083 0.000 0.952 15 L HN 0.459 nan 8.230 nan 0.000 0.455 16 E N -1.652 118.425 120.200 -0.204 0.000 2.541 16 E HA 0.198 4.548 4.350 -0.000 0.000 0.219 16 E C 0.754 177.142 176.600 -0.352 0.000 0.922 16 E CA 0.037 56.331 56.400 -0.177 0.000 1.095 16 E CB 0.978 30.652 29.700 -0.044 0.000 1.112 16 E HN 0.321 nan 8.360 nan 0.000 0.516 17 G N 0.893 109.226 108.800 -0.779 0.000 2.597 17 G HA2 0.255 4.215 3.960 -0.000 0.000 0.317 17 G HA3 0.255 4.215 3.960 -0.000 0.000 0.317 17 G C -0.300 173.926 174.900 -1.123 0.000 1.230 17 G CA -0.546 43.542 45.100 -1.687 0.000 0.996 17 G HN -0.109 nan 8.290 nan 0.000 0.490 18 E N 1.426 120.936 120.200 -1.150 0.000 1.979 18 E HA 0.077 4.427 4.350 -0.000 0.000 0.285 18 E C 1.415 177.804 176.600 -0.352 0.000 1.188 18 E CA -0.292 55.857 56.400 -0.418 0.000 1.214 18 E CB 0.729 30.386 29.700 -0.073 0.000 1.210 18 E HN 0.384 nan 8.360 nan 0.000 0.477 19 V N -1.605 118.058 119.914 -0.419 0.000 3.649 19 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 19 V C 0.969 176.900 176.094 -0.273 0.000 1.281 19 V CA -0.079 62.006 62.300 -0.358 0.000 1.143 19 V CB -0.168 31.367 31.823 -0.479 0.000 0.892 19 V HN 0.259 nan 8.190 nan 0.000 0.441 20 A N -0.473 122.247 122.820 -0.167 0.000 2.287 20 A HA 0.637 4.957 4.320 -0.000 0.000 0.273 20 A C -0.398 177.156 177.584 -0.051 0.000 1.091 20 A CA -0.513 51.492 52.037 -0.053 0.000 0.817 20 A CB -0.010 19.016 19.000 0.044 0.000 1.069 20 A HN 0.410 nan 8.150 nan 0.000 0.492 21 Y N 0.333 120.618 120.300 -0.026 0.000 2.597 21 Y HA 0.059 4.609 4.550 -0.000 0.000 0.336 21 Y C 1.682 177.581 175.900 -0.003 0.000 1.216 21 Y CA 0.602 58.691 58.100 -0.019 0.000 1.463 21 Y CB 0.687 39.126 38.460 -0.035 0.000 1.303 21 Y HN 0.664 nan 8.280 nan 0.000 0.576 22 Q N 1.833 121.725 119.800 0.152 0.000 2.394 22 Q HA 0.055 4.395 4.340 -0.000 0.000 0.218 22 Q C 1.034 177.090 176.000 0.092 0.000 0.907 22 Q CA 1.009 56.870 55.803 0.097 0.000 0.919 22 Q CB 0.308 29.086 28.738 0.067 0.000 1.051 22 Q HN 0.728 nan 8.270 nan 0.000 0.538 23 K N 0.465 120.933 120.400 0.113 0.000 2.312 23 K HA 0.116 4.436 4.320 -0.000 0.000 0.206 23 K C 0.680 177.312 176.600 0.055 0.000 1.121 23 K CA 0.625 56.956 56.287 0.074 0.000 0.923 23 K CB 0.313 32.852 32.500 0.066 0.000 1.162 23 K HN 0.162 nan 8.250 nan 0.000 0.478 24 T N 1.760 116.355 114.554 0.069 0.000 2.930 24 T HA 0.162 4.512 4.350 -0.000 0.000 0.306 24 T C 0.366 174.999 174.700 -0.110 0.000 1.045 24 T CA -0.469 61.607 62.100 -0.041 0.000 1.134 24 T CB 1.082 69.883 68.868 -0.111 0.000 0.961 24 T HN 0.260 nan 8.240 nan 0.000 0.545 25 T N -2.171 112.306 114.554 -0.129 0.000 2.907 25 T HA 0.487 4.837 4.350 -0.000 0.000 0.290 25 T C 1.591 176.196 174.700 -0.159 0.000 1.066 25 T CA -0.224 61.800 62.100 -0.126 0.000 1.012 25 T CB 1.269 70.099 68.868 -0.063 0.000 1.184 25 T HN 0.726 nan 8.240 nan 0.000 0.522 26 T N -2.094 112.375 114.554 -0.142 0.000 2.881 26 T HA 0.195 4.545 4.350 -0.000 0.000 0.270 26 T C 1.928 176.601 174.700 -0.045 0.000 1.068 26 T CA 1.588 63.615 62.100 -0.122 0.000 1.131 26 T CB -1.150 67.652 68.868 -0.111 0.000 0.871 26 T HN 2.114 nan 8.240 nan 0.000 0.479 27 G N 0.809 109.599 108.800 -0.017 0.000 2.175 27 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 27 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 27 G C 0.780 175.769 174.900 0.148 0.000 0.982 27 G CA 0.301 45.424 45.100 0.039 0.000 0.641 27 G HN 0.553 nan 8.290 nan 0.000 0.527 28 L N 1.330 122.634 121.223 0.134 0.000 2.265 28 L HA -0.021 4.319 4.340 -0.000 0.000 0.215 28 L C 2.891 179.880 176.870 0.199 0.000 1.117 28 L CA 1.722 56.694 54.840 0.220 0.000 0.782 28 L CB -0.268 41.837 42.059 0.078 0.000 0.914 28 L HN 0.596 nan 8.230 nan 0.000 0.441 29 E N 0.516 120.761 120.200 0.075 0.000 2.338 29 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 29 E C 1.786 178.367 176.600 -0.031 0.000 1.007 29 E CA 1.273 57.686 56.400 0.022 0.000 0.849 29 E CB -0.306 29.389 29.700 -0.009 0.000 0.774 29 E HN 0.400 nan 8.360 nan 0.000 0.506 30 G N 0.115 108.854 108.800 -0.103 0.000 2.920 30 G HA2 0.156 4.116 3.960 -0.000 0.000 0.208 30 G HA3 0.156 4.116 3.960 -0.000 0.000 0.208 30 G C -0.163 174.365 174.900 -0.619 0.000 1.159 30 G CA -0.234 44.644 45.100 -0.369 0.000 0.784 30 G HN 0.103 nan 8.290 nan 0.000 0.535 31 F N -0.881 119.057 119.950 -0.020 0.000 2.565 31 F HA 0.607 5.134 4.527 0.000 0.000 0.313 31 F C 0.288 176.080 175.800 -0.013 0.000 1.091 31 F CA -1.172 56.819 58.000 -0.015 0.000 0.915 31 F CB 2.015 41.006 39.000 -0.015 0.000 1.208 31 F HN -0.323 nan 8.300 nan 0.000 0.453 32 R N 2.143 122.746 120.500 0.171 0.000 2.562 32 R HA 0.598 4.938 4.340 -0.000 0.000 0.298 32 R C -1.132 175.226 176.300 0.098 0.000 0.961 32 R CA -0.985 55.173 56.100 0.097 0.000 0.881 32 R CB 1.907 32.239 30.300 0.052 0.000 1.159 32 R HN 0.639 nan 8.270 nan 0.000 0.450 33 L N 3.828 125.093 121.223 0.071 0.000 2.416 33 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 33 L C 0.837 177.751 176.870 0.073 0.000 1.161 33 L CA -0.089 54.788 54.840 0.061 0.000 0.845 33 L CB 0.414 42.502 42.059 0.049 0.000 1.119 33 L HN 0.340 nan 8.230 nan 0.000 0.464 34 R N 3.280 123.816 120.500 0.060 0.000 2.459 34 R HA 0.019 4.359 4.340 -0.000 0.000 0.301 34 R C -0.700 175.643 176.300 0.071 0.000 1.286 34 R CA -0.334 55.800 56.100 0.057 0.000 1.046 34 R CB -0.298 30.016 30.300 0.023 0.000 1.071 34 R HN 0.362 nan 8.270 nan 0.000 0.512 35 Y N 3.284 123.565 120.300 -0.032 0.000 2.569 35 Y HA -0.061 4.489 4.550 -0.000 0.000 0.332 35 Y C -0.150 175.711 175.900 -0.065 0.000 1.120 35 Y CA -0.004 58.064 58.100 -0.053 0.000 1.416 35 Y CB 0.645 39.079 38.460 -0.043 0.000 1.210 35 Y HN 0.299 nan 8.280 nan 0.000 0.528 36 Q N 6.520 125.989 119.800 -0.552 0.000 2.509 36 Q HA 0.364 4.704 4.340 -0.000 0.000 0.236 36 Q C 0.879 176.383 176.000 -0.826 0.000 1.073 36 Q CA 0.204 55.670 55.803 -0.561 0.000 0.867 36 Q CB 1.240 29.791 28.738 -0.311 0.000 1.181 36 Q HN 0.942 nan 8.270 nan 0.000 0.526 37 A N 2.498 124.724 122.820 -0.990 0.000 2.019 37 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 37 A C 1.093 178.477 177.584 -0.332 0.000 1.164 37 A CA 1.114 52.742 52.037 -0.681 0.000 0.644 37 A CB 0.126 18.923 19.000 -0.339 0.000 0.805 37 A HN 0.602 nan 8.150 nan 0.000 0.449 38 L N -1.115 119.941 121.223 -0.278 0.000 3.209 38 L HA 0.292 4.632 4.340 -0.000 0.000 0.279 38 L C 1.612 178.385 176.870 -0.160 0.000 1.301 38 L CA 0.109 54.848 54.840 -0.169 0.000 1.004 38 L CB 0.482 42.473 42.059 -0.114 0.000 1.402 38 L HN 0.299 nan 8.230 nan 0.000 0.577 39 A N -0.189 122.503 122.820 -0.213 0.000 2.209 39 A HA 0.194 4.514 4.320 -0.000 0.000 0.212 39 A C 1.679 179.195 177.584 -0.113 0.000 1.158 39 A CA 0.656 52.592 52.037 -0.168 0.000 0.742 39 A CB -0.425 18.445 19.000 -0.217 0.000 0.790 39 A HN 0.582 nan 8.150 nan 0.000 0.472 40 G N -0.396 108.341 108.800 -0.104 0.000 2.372 40 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.290 40 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.290 40 G C -0.222 174.678 174.900 -0.001 0.000 0.965 40 G CA 0.810 45.884 45.100 -0.043 0.000 1.263 40 G HN 1.466 nan 8.290 nan 0.000 0.498 41 L N -2.755 118.488 121.223 0.034 0.000 2.322 41 L HA 1.061 5.401 4.340 -0.000 0.000 0.252 41 L C 0.046 177.078 176.870 0.271 0.000 1.055 41 L CA -1.383 53.525 54.840 0.114 0.000 0.849 41 L CB 1.109 43.224 42.059 0.094 0.000 1.446 41 L HN 0.901 nan 8.230 nan 0.000 0.416 42 A N 0.236 123.191 122.820 0.224 0.000 2.317 42 A HA 0.637 4.957 4.320 -0.000 0.000 0.327 42 A C 0.692 178.325 177.584 0.082 0.000 1.178 42 A CA -0.430 51.710 52.037 0.172 0.000 0.817 42 A CB 0.844 19.878 19.000 0.058 0.000 1.189 42 A HN 0.966 nan 8.150 nan 0.000 0.489 43 L N 3.180 124.208 121.223 -0.325 0.000 2.081 43 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 43 L C 2.502 179.239 176.870 -0.223 0.000 1.080 43 L CA 3.133 57.578 54.840 -0.658 0.000 0.754 43 L CB -0.665 40.795 42.059 -0.998 0.000 0.893 43 L HN 0.818 nan 8.230 nan 0.000 0.433 44 S N -0.512 115.101 115.700 -0.145 0.000 2.442 44 S HA -0.224 4.246 4.470 -0.000 0.000 0.236 44 S C 1.570 176.156 174.600 -0.024 0.000 1.007 44 S CA 1.003 59.160 58.200 -0.072 0.000 0.965 44 S CB -0.792 62.376 63.200 -0.053 0.000 0.773 44 S HN 0.822 nan 8.310 nan 0.000 0.504 45 E N 0.965 121.169 120.200 0.006 0.000 2.489 45 E HA 0.199 4.549 4.350 -0.000 0.000 0.193 45 E C 0.362 176.991 176.600 0.049 0.000 1.057 45 E CA -0.085 56.334 56.400 0.033 0.000 0.866 45 E CB 0.069 29.798 29.700 0.048 0.000 0.916 45 E HN 0.343 nan 8.360 nan 0.000 0.500 46 V N 2.320 122.267 119.914 0.055 0.000 2.389 46 V HA 0.082 4.202 4.120 -0.000 0.000 0.264 46 V C -0.751 175.370 176.094 0.045 0.000 1.049 46 V CA -0.472 61.870 62.300 0.071 0.000 0.932 46 V CB 0.983 32.873 31.823 0.112 0.000 1.011 46 V HN 0.243 nan 8.190 nan 0.000 0.475 47 D N 5.823 126.250 120.400 0.045 0.000 2.329 47 D HA 0.222 4.862 4.640 -0.000 0.000 0.232 47 D C 0.739 177.066 176.300 0.046 0.000 1.088 47 D CA -0.396 53.627 54.000 0.039 0.000 0.835 47 D CB 1.838 42.659 40.800 0.035 0.000 1.078 47 D HN 0.604 nan 8.370 nan 0.000 0.495 48 L N 2.599 123.850 121.223 0.046 0.000 2.554 48 L HA 0.031 4.371 4.340 -0.000 0.000 0.226 48 L C 1.013 177.918 176.870 0.058 0.000 1.137 48 L CA 0.244 55.118 54.840 0.057 0.000 0.863 48 L CB -0.215 41.881 42.059 0.062 0.000 0.985 48 L HN 0.345 nan 8.230 nan 0.000 0.451 49 T N 1.619 116.204 114.554 0.051 0.000 2.849 49 T HA 0.109 4.459 4.350 -0.000 0.000 0.289 49 T C 0.470 175.206 174.700 0.061 0.000 1.010 49 T CA 0.541 62.673 62.100 0.053 0.000 1.161 49 T CB 0.080 68.975 68.868 0.045 0.000 0.989 49 T HN 0.389 nan 8.240 nan 0.000 0.523 50 T N 1.988 116.586 114.554 0.073 0.000 3.237 50 T HA 0.494 4.844 4.350 -0.000 0.000 0.319 50 T C -3.318 171.451 174.700 0.115 0.000 1.037 50 T CA -1.787 60.364 62.100 0.084 0.000 1.048 50 T CB 2.302 71.214 68.868 0.073 0.000 1.081 50 T HN 0.245 nan 8.240 nan 0.000 0.455 51 P HA 0.515 nan 4.420 nan 0.000 0.287 51 P C -1.345 176.092 177.300 0.228 0.000 1.281 51 P CA -0.373 62.809 63.100 0.136 0.000 0.781 51 P CB 0.590 32.344 31.700 0.090 0.000 0.903 52 F N 4.686 124.655 119.950 0.032 0.000 2.578 52 F HA 0.308 4.835 4.527 -0.000 0.000 0.311 52 F C 0.413 176.229 175.800 0.027 0.000 1.094 52 F CA -1.143 56.875 58.000 0.030 0.000 0.923 52 F CB 1.300 40.318 39.000 0.030 0.000 1.230 52 F HN 0.180 nan 8.300 nan 0.000 0.450 53 L N 5.277 126.056 121.223 -0.740 0.000 3.941 53 L HA -0.237 4.103 4.340 -0.000 0.000 0.455 53 L C 0.879 177.622 176.870 -0.212 0.000 1.179 53 L CA 1.047 55.557 54.840 -0.550 0.000 0.782 53 L CB -1.982 39.644 42.059 -0.722 0.000 1.679 53 L HN 1.258 nan 8.230 nan 0.000 0.871 54 G N -0.044 108.688 108.800 -0.114 0.000 2.298 54 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.287 54 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.287 54 G C -0.012 174.878 174.900 -0.016 0.000 1.075 54 G CA 0.654 45.727 45.100 -0.045 0.000 0.960 54 G HN 0.539 nan 8.290 nan 0.000 0.502 55 K N -1.103 119.303 120.400 0.011 0.000 2.598 55 K HA 0.373 4.693 4.320 -0.000 0.000 0.271 55 K C -1.006 175.636 176.600 0.070 0.000 0.947 55 K CA -0.832 55.477 56.287 0.037 0.000 0.854 55 K CB 1.374 33.898 32.500 0.039 0.000 1.401 55 K HN 0.051 nan 8.250 nan 0.000 0.415 56 T N 2.956 117.548 114.554 0.063 0.000 2.832 56 T HA 0.361 4.711 4.350 -0.000 0.000 0.313 56 T C 0.137 174.883 174.700 0.078 0.000 1.035 56 T CA -0.517 61.627 62.100 0.073 0.000 0.950 56 T CB -0.105 68.795 68.868 0.054 0.000 0.984 56 T HN 0.218 nan 8.240 nan 0.000 0.486 57 L N 2.929 124.213 121.223 0.102 0.000 2.418 57 L HA 0.393 4.733 4.340 -0.000 0.000 0.265 57 L C 1.577 178.494 176.870 0.078 0.000 1.143 57 L CA -0.569 54.330 54.840 0.098 0.000 0.809 57 L CB 0.744 42.879 42.059 0.125 0.000 1.124 57 L HN 0.512 nan 8.230 nan 0.000 0.456 58 K N 1.137 121.577 120.400 0.067 0.000 2.459 58 K HA 0.278 4.598 4.320 -0.000 0.000 0.193 58 K C 0.063 176.698 176.600 0.058 0.000 1.030 58 K CA 0.227 56.545 56.287 0.052 0.000 1.026 58 K CB 0.323 32.844 32.500 0.036 0.000 0.809 58 K HN 0.687 nan 8.250 nan 0.000 0.504 59 A N 1.298 124.166 122.820 0.079 0.000 2.589 59 A HA 0.318 4.638 4.320 -0.000 0.000 0.296 59 A C -2.715 174.943 177.584 0.125 0.000 1.062 59 A CA -1.230 50.866 52.037 0.099 0.000 0.686 59 A CB 1.111 20.168 19.000 0.095 0.000 1.282 59 A HN -0.152 nan 8.150 nan 0.000 0.404 60 P HA 0.175 nan 4.420 nan 0.000 0.249 60 P C -0.766 176.583 177.300 0.082 0.000 1.686 60 P CA 0.602 63.736 63.100 0.058 0.000 0.873 60 P CB -0.797 30.928 31.700 0.040 0.000 1.828 61 F N 1.082 121.000 119.950 -0.053 0.000 2.532 61 F HA 0.531 5.058 4.527 -0.000 0.000 0.321 61 F C -1.038 174.710 175.800 -0.086 0.000 1.089 61 F CA -1.093 56.862 58.000 -0.074 0.000 0.926 61 F CB 1.563 40.528 39.000 -0.059 0.000 1.168 61 F HN -0.216 nan 8.300 nan 0.000 0.459 62 L N 6.948 127.834 121.223 -0.562 0.000 2.410 62 L HA 0.482 4.822 4.340 -0.000 0.000 0.270 62 L C -0.651 175.936 176.870 -0.472 0.000 0.983 62 L CA -0.939 53.720 54.840 -0.303 0.000 0.822 62 L CB 2.200 44.117 42.059 -0.237 0.000 1.285 62 L HN 0.562 nan 8.230 nan 0.000 0.409 63 I N 2.159 122.670 120.570 -0.097 0.000 2.556 63 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 63 I C 1.152 177.195 176.117 -0.125 0.000 1.114 63 I CA 0.208 61.475 61.300 -0.055 0.000 1.418 63 I CB 1.153 39.183 38.000 0.050 0.000 1.394 63 I HN 0.695 nan 8.210 nan 0.000 0.552 64 G N 4.644 113.352 108.800 -0.153 0.000 2.544 64 G HA2 0.417 4.377 3.960 -0.000 0.000 0.242 64 G HA3 0.417 4.377 3.960 -0.000 0.000 0.242 64 G C 0.264 175.119 174.900 -0.074 0.000 1.247 64 G CA -0.274 44.759 45.100 -0.111 0.000 0.840 64 G HN 0.834 nan 8.290 nan 0.000 0.578 75 R N 3.029 123.524 120.500 -0.009 0.000 2.200 75 R HA 0.302 4.642 4.340 -0.000 0.000 0.208 75 R C 2.561 178.854 176.300 -0.012 0.000 1.033 75 R CA 1.483 57.578 56.100 -0.009 0.000 1.000 75 R CB -1.271 29.025 30.300 -0.006 0.000 0.906 75 R HN 0.445 nan 8.270 nan 0.000 0.462 76 I N -0.936 119.625 120.570 -0.014 0.000 2.252 76 I HA -0.138 4.032 4.170 -0.000 0.000 0.245 76 I C 1.119 177.223 176.117 -0.021 0.000 1.102 76 I CA 1.400 62.688 61.300 -0.020 0.000 1.385 76 I CB -0.651 37.336 38.000 -0.023 0.000 1.064 76 I HN 0.051 nan 8.210 nan 0.000 0.414 77 N N 1.880 120.568 118.700 -0.020 0.000 2.205 77 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 77 N C 2.038 177.538 175.510 -0.016 0.000 1.015 77 N CA 1.470 54.508 53.050 -0.021 0.000 0.862 77 N CB -0.251 38.222 38.487 -0.023 0.000 0.986 77 N HN 0.470 nan 8.380 nan 0.000 0.429 78 L N 0.523 121.738 121.223 -0.014 0.000 2.217 78 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 78 L C 2.412 179.277 176.870 -0.008 0.000 1.107 78 L CA 0.505 55.339 54.840 -0.010 0.000 0.783 78 L CB -0.264 41.790 42.059 -0.009 0.000 0.919 78 L HN 0.104 nan 8.230 nan 0.000 0.442 79 A N -0.116 122.698 122.820 -0.010 0.000 1.935 79 A HA -0.018 4.302 4.320 -0.000 0.000 0.214 79 A C 2.207 179.786 177.584 -0.009 0.000 1.178 79 A CA 0.737 52.769 52.037 -0.009 0.000 0.640 79 A CB -0.325 18.668 19.000 -0.012 0.000 0.825 79 A HN 0.281 nan 8.150 nan 0.000 0.447 80 L N -0.652 120.563 121.223 -0.014 0.000 2.005 80 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 80 L C 3.133 180.004 176.870 0.001 0.000 1.072 80 L CA 1.110 55.943 54.840 -0.011 0.000 0.744 80 L CB -0.570 41.476 42.059 -0.021 0.000 0.895 80 L HN 0.416 nan 8.230 nan 0.000 0.433 81 A N -0.073 122.746 122.820 -0.002 0.000 1.883 81 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 81 A C 2.224 179.811 177.584 0.006 0.000 1.186 81 A CA 2.029 54.067 52.037 0.003 0.000 0.624 81 A CB -0.691 18.307 19.000 -0.004 0.000 0.822 81 A HN 0.483 nan 8.150 nan 0.000 0.444 82 E N -0.269 119.933 120.200 0.002 0.000 2.130 82 E HA -0.186 4.164 4.350 -0.000 0.000 0.196 82 E C 2.011 178.615 176.600 0.006 0.000 0.998 82 E CA 1.279 57.681 56.400 0.003 0.000 0.806 82 E CB -0.253 29.448 29.700 0.001 0.000 0.738 82 E HN 0.570 nan 8.360 nan 0.000 0.459 83 A N 0.821 123.646 122.820 0.007 0.000 1.930 83 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 83 A C 2.382 179.974 177.584 0.013 0.000 1.176 83 A CA 1.327 53.369 52.037 0.008 0.000 0.632 83 A CB -0.644 18.361 19.000 0.009 0.000 0.819 83 A HN 0.402 nan 8.150 nan 0.000 0.445 84 A N -0.113 122.721 122.820 0.023 0.000 1.917 84 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 84 A C 2.003 179.606 177.584 0.031 0.000 1.182 84 A CA 1.819 53.880 52.037 0.039 0.000 0.633 84 A CB -0.463 18.563 19.000 0.044 0.000 0.819 84 A HN 0.505 nan 8.150 nan 0.000 0.448 85 E N -0.352 119.861 120.200 0.021 0.000 2.017 85 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 85 E C 2.502 179.110 176.600 0.014 0.000 0.997 85 E CA 1.180 57.591 56.400 0.018 0.000 0.804 85 E CB -0.690 29.017 29.700 0.012 0.000 0.757 85 E HN 0.533 nan 8.360 nan 0.000 0.448 86 A N 1.003 123.829 122.820 0.009 0.000 1.915 86 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 86 A C 2.177 179.762 177.584 0.003 0.000 1.198 86 A CA 1.915 53.955 52.037 0.005 0.000 0.647 86 A CB -0.580 18.422 19.000 0.002 0.000 0.825 86 A HN 0.174 nan 8.150 nan 0.000 0.456 87 L N -1.978 119.245 121.223 0.000 0.000 2.477 87 L HA 0.336 4.676 4.340 -0.000 0.000 0.220 87 L C 1.577 178.452 176.870 0.008 0.000 1.106 87 L CA 1.081 55.917 54.840 -0.007 0.000 0.851 87 L CB -0.293 41.745 42.059 -0.035 0.000 0.994 87 L HN 0.683 nan 8.230 nan 0.000 0.462 88 G N 0.557 109.371 108.800 0.023 0.000 2.204 88 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.244 88 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.244 88 G C 0.060 174.998 174.900 0.063 0.000 1.062 88 G CA 0.159 45.283 45.100 0.039 0.000 0.798 88 G HN 0.341 nan 8.290 nan 0.000 0.496 89 V N -2.253 117.709 119.914 0.079 0.000 3.019 89 V HA 1.035 5.155 4.120 -0.000 0.000 0.317 89 V C 1.026 177.201 176.094 0.135 0.000 1.094 89 V CA -0.214 62.169 62.300 0.137 0.000 1.000 89 V CB 1.677 33.629 31.823 0.214 0.000 1.060 89 V HN 1.254 nan 8.190 nan 0.000 0.443 94 G N -0.291 108.469 108.800 -0.067 0.000 2.667 94 G HA2 0.330 4.290 3.960 -0.000 0.000 0.250 94 G HA3 0.330 4.290 3.960 -0.000 0.000 0.250 94 G C 0.014 174.870 174.900 -0.074 0.000 1.212 94 G CA 0.021 45.075 45.100 -0.077 0.000 0.874 94 G HN 0.637 nan 8.290 nan 0.000 0.561 95 S N -0.530 115.129 115.700 -0.068 0.000 2.670 95 S HA 0.149 4.619 4.470 -0.000 0.000 0.308 95 S C 1.629 176.185 174.600 -0.073 0.000 1.232 95 S CA 0.248 58.426 58.200 -0.037 0.000 1.126 95 S CB -0.153 63.055 63.200 0.014 0.000 0.897 95 S HN 0.961 nan 8.310 nan 0.000 0.508 96 G N 5.074 113.815 108.800 -0.097 0.000 3.061 96 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.208 96 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.208 96 G C 1.488 176.319 174.900 -0.116 0.000 1.175 96 G CA -0.331 44.709 45.100 -0.101 0.000 0.812 96 G HN 0.643 nan 8.290 nan 0.000 0.523 97 R N 0.470 120.890 120.500 -0.133 0.000 2.133 97 R HA -0.135 4.205 4.340 -0.000 0.000 0.247 97 R C 2.078 178.312 176.300 -0.111 0.000 1.151 97 R CA 1.165 57.155 56.100 -0.183 0.000 0.971 97 R CB -0.360 29.849 30.300 -0.151 0.000 0.866 97 R HN 0.439 nan 8.270 nan 0.000 0.447 98 I N 0.550 121.081 120.570 -0.065 0.000 2.756 98 I HA -0.190 3.980 4.170 -0.000 0.000 0.262 98 I C 2.080 178.189 176.117 -0.013 0.000 1.225 98 I CA 0.463 61.746 61.300 -0.027 0.000 1.472 98 I CB -0.334 37.650 38.000 -0.028 0.000 1.094 98 I HN 0.078 nan 8.210 nan 0.000 0.454 99 L N -0.258 120.948 121.223 -0.028 0.000 2.209 99 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 99 L C 1.967 178.847 176.870 0.017 0.000 1.094 99 L CA 1.544 56.376 54.840 -0.014 0.000 0.790 99 L CB -0.281 41.758 42.059 -0.034 0.000 0.932 99 L HN 0.162 nan 8.230 nan 0.000 0.447 100 L N -1.070 120.173 121.223 0.034 0.000 2.610 100 L HA -0.027 4.313 4.340 -0.000 0.000 0.232 100 L C 1.553 178.533 176.870 0.184 0.000 1.149 100 L CA 0.457 55.380 54.840 0.139 0.000 0.872 100 L CB -0.237 41.964 42.059 0.237 0.000 0.992 100 L HN 0.349 nan 8.230 nan 0.000 0.447 101 E N -0.192 120.077 120.200 0.116 0.000 2.465 101 E HA 0.161 4.511 4.350 -0.000 0.000 0.209 101 E C 0.326 176.956 176.600 0.049 0.000 0.951 101 E CA 0.007 56.465 56.400 0.096 0.000 0.997 101 E CB 0.736 30.493 29.700 0.095 0.000 1.025 101 E HN 0.259 nan 8.360 nan 0.000 0.500 102 R N 1.767 122.288 120.500 0.035 0.000 2.684 102 R HA 0.252 4.592 4.340 -0.000 0.000 0.252 102 R C -2.583 173.726 176.300 0.014 0.000 1.628 102 R CA -1.096 55.016 56.100 0.020 0.000 1.622 102 R CB 0.988 31.296 30.300 0.014 0.000 1.418 102 R HN 0.014 nan 8.270 nan 0.000 0.697 112 R N 2.086 122.576 120.500 -0.016 0.000 2.170 112 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 112 R C 2.084 178.379 176.300 -0.008 0.000 1.145 112 R CA 2.456 58.548 56.100 -0.012 0.000 0.984 112 R CB -0.357 29.934 30.300 -0.014 0.000 0.869 112 R HN 0.787 nan 8.270 nan 0.000 0.455 113 K N -1.101 119.295 120.400 -0.008 0.000 2.103 113 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 113 K C 1.495 178.093 176.600 -0.004 0.000 1.048 113 K CA 1.877 58.161 56.287 -0.005 0.000 0.930 113 K CB -0.251 32.246 32.500 -0.006 0.000 0.716 113 K HN 0.082 nan 8.250 nan 0.000 0.444 114 V N 0.361 120.273 119.914 -0.004 0.000 2.992 114 V HA 0.139 4.259 4.120 -0.000 0.000 0.250 114 V C 1.192 177.286 176.094 -0.000 0.000 1.090 114 V CA 0.759 63.058 62.300 -0.002 0.000 1.101 114 V CB 0.248 32.069 31.823 -0.003 0.000 0.743 114 V HN 0.417 nan 8.190 nan 0.000 0.468 115 A N 1.517 124.336 122.820 -0.001 0.000 3.047 115 A HA 0.544 4.864 4.320 -0.000 0.000 0.337 115 A C -1.135 176.450 177.584 0.001 0.000 1.143 115 A CA -1.161 50.877 52.037 0.002 0.000 0.905 115 A CB 0.300 19.302 19.000 0.002 0.000 1.088 115 A HN 0.264 nan 8.150 nan 0.000 0.488 116 P HA -0.183 nan 4.420 nan 0.000 0.214 116 P C 0.855 178.158 177.300 0.004 0.000 1.162 116 P CA 1.475 64.577 63.100 0.002 0.000 0.879 116 P CB 0.321 32.023 31.700 0.003 0.000 0.786 117 K N -0.089 120.316 120.400 0.008 0.000 2.128 117 K HA 0.178 4.498 4.320 -0.000 0.000 0.202 117 K C 1.480 178.089 176.600 0.016 0.000 1.050 117 K CA 0.294 56.588 56.287 0.012 0.000 0.966 117 K CB -1.157 31.352 32.500 0.014 0.000 0.759 117 K HN 0.066 nan 8.250 nan 0.000 0.454 118 A N 2.798 125.630 122.820 0.019 0.000 2.616 118 A HA -0.042 4.278 4.320 -0.000 0.000 0.234 118 A C 0.250 177.850 177.584 0.026 0.000 1.024 118 A CA -0.110 51.944 52.037 0.028 0.000 0.758 118 A CB -0.386 18.630 19.000 0.027 0.000 0.939 118 A HN 0.330 nan 8.150 nan 0.000 0.510 119 L N 3.838 125.087 121.223 0.043 0.000 2.462 119 L HA 0.427 4.767 4.340 -0.000 0.000 0.272 119 L C -0.461 176.428 176.870 0.032 0.000 1.166 119 L CA 0.686 55.551 54.840 0.042 0.000 0.880 119 L CB -0.138 41.972 42.059 0.084 0.000 1.142 119 L HN 0.497 nan 8.230 nan 0.000 0.473 120 L N 6.892 128.115 121.223 0.000 0.000 2.372 120 L HA 0.422 4.762 4.340 -0.000 0.000 0.274 120 L C -0.815 176.026 176.870 -0.048 0.000 0.988 120 L CA -0.789 54.041 54.840 -0.018 0.000 0.833 120 L CB 1.541 43.581 42.059 -0.033 0.000 1.236 120 L HN 0.483 nan 8.230 nan 0.000 0.410 121 I N 2.975 123.522 120.570 -0.039 0.000 2.312 121 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 121 I C 0.908 176.956 176.117 -0.114 0.000 1.031 121 I CA 0.305 61.561 61.300 -0.074 0.000 1.293 121 I CB 1.456 39.443 38.000 -0.022 0.000 1.403 121 I HN 0.624 nan 8.210 nan 0.000 0.484 122 A N 5.903 128.613 122.820 -0.184 0.000 2.366 122 A HA 0.432 4.752 4.320 -0.000 0.000 0.249 122 A C 0.119 177.575 177.584 -0.213 0.000 1.084 122 A CA -0.284 51.630 52.037 -0.206 0.000 0.794 122 A CB 0.269 19.100 19.000 -0.282 0.000 1.034 122 A HN 0.732 nan 8.150 nan 0.000 0.491 123 N N 0.910 119.501 118.700 -0.181 0.000 2.238 123 N HA 0.476 5.216 4.740 -0.000 0.000 0.302 123 N C -0.466 174.946 175.510 -0.165 0.000 1.072 123 N CA -0.519 52.442 53.050 -0.148 0.000 0.792 123 N CB 1.825 40.276 38.487 -0.059 0.000 1.425 123 N HN 0.510 nan 8.380 nan 0.000 0.478 124 L N 1.507 122.614 121.223 -0.193 0.000 2.718 124 L HA 0.348 4.688 4.340 -0.000 0.000 0.247 124 L C 0.064 176.799 176.870 -0.225 0.000 1.028 124 L CA 1.115 55.839 54.840 -0.194 0.000 1.031 124 L CB -0.393 41.510 42.059 -0.261 0.000 1.910 124 L HN 0.840 nan 8.230 nan 0.000 0.526 125 G N 1.555 110.170 108.800 -0.309 0.000 3.409 125 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 125 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 125 G C 0.266 175.074 174.900 -0.154 0.000 1.017 125 G CA 0.081 44.733 45.100 -0.746 0.000 0.854 125 G HN 0.186 nan 8.290 nan 0.000 0.508 126 L N 2.645 123.835 121.223 -0.055 0.000 2.011 126 L HA -0.134 4.206 4.340 -0.000 0.000 0.225 126 L C 3.285 180.057 176.870 -0.163 0.000 1.084 126 L CA 3.854 58.619 54.840 -0.124 0.000 0.791 126 L CB -0.717 41.307 42.059 -0.058 0.000 0.898 126 L HN 1.634 nan 8.230 nan 0.000 0.440 127 A N -1.815 120.887 122.820 -0.197 0.000 2.204 127 A HA -0.267 4.053 4.320 -0.000 0.000 0.220 127 A C 2.021 179.501 177.584 -0.173 0.000 1.165 127 A CA 1.734 53.592 52.037 -0.300 0.000 0.671 127 A CB -0.468 18.249 19.000 -0.472 0.000 0.792 127 A HN 0.639 nan 8.150 nan 0.000 0.473 128 Q N -0.693 119.037 119.800 -0.117 0.000 2.331 128 Q HA 0.129 4.469 4.340 -0.000 0.000 0.203 128 Q C 1.759 177.797 176.000 0.064 0.000 0.944 128 Q CA 0.528 56.306 55.803 -0.042 0.000 0.892 128 Q CB -0.342 28.294 28.738 -0.169 0.000 0.983 128 Q HN 0.751 nan 8.270 nan 0.000 0.482 129 L N 0.567 121.779 121.223 -0.019 0.000 2.642 129 L HA -0.062 4.278 4.340 -0.000 0.000 0.236 129 L C 2.237 179.108 176.870 0.003 0.000 1.169 129 L CA 0.586 55.419 54.840 -0.011 0.000 0.851 129 L CB -0.257 41.706 42.059 -0.159 0.000 0.968 129 L HN 0.111 nan 8.230 nan 0.000 0.453 130 R N 0.574 121.073 120.500 -0.001 0.000 2.297 130 R HA 0.028 4.368 4.340 -0.000 0.000 0.197 130 R C 1.321 177.631 176.300 0.016 0.000 0.943 130 R CA 0.425 56.515 56.100 -0.016 0.000 1.038 130 R CB 0.273 30.540 30.300 -0.056 0.000 0.957 130 R HN 0.292 nan 8.270 nan 0.000 0.484 131 R N -1.757 118.801 120.500 0.097 0.000 2.526 131 R HA 0.196 4.536 4.340 -0.000 0.000 0.346 131 R C -0.994 175.249 176.300 -0.095 0.000 0.926 131 R CA -0.118 56.000 56.100 0.030 0.000 1.147 131 R CB 0.887 31.233 30.300 0.077 0.000 1.629 131 R HN 0.016 nan 8.270 nan 0.000 0.516 132 Y N -0.705 119.589 120.300 -0.010 0.000 2.553 132 Y HA 0.711 5.261 4.550 -0.000 0.000 0.347 132 Y C 0.506 176.417 175.900 0.018 0.000 1.019 132 Y CA -1.232 56.874 58.100 0.011 0.000 1.032 132 Y CB 2.615 41.092 38.460 0.029 0.000 1.284 132 Y HN -0.020 nan 8.280 nan 0.000 0.466 133 G N 0.571 109.468 108.800 0.162 0.000 2.725 133 G HA2 0.431 4.391 3.960 -0.000 0.000 0.288 133 G HA3 0.431 4.391 3.960 -0.000 0.000 0.288 133 G C -0.122 174.848 174.900 0.117 0.000 1.399 133 G CA -0.900 44.265 45.100 0.108 0.000 0.859 133 G HN 0.612 nan 8.290 nan 0.000 0.479 134 R N -0.195 120.359 120.500 0.090 0.000 2.398 134 R HA -0.288 4.052 4.340 -0.000 0.000 0.233 134 R C 1.687 178.049 176.300 0.103 0.000 1.022 134 R CA 3.128 59.279 56.100 0.084 0.000 0.855 134 R CB -0.788 29.536 30.300 0.040 0.000 0.962 134 R HN 0.609 nan 8.270 nan 0.000 0.416 135 D N -0.288 120.161 120.400 0.082 0.000 2.077 135 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 135 D C 1.535 177.901 176.300 0.111 0.000 0.986 135 D CA 1.639 55.688 54.000 0.082 0.000 0.829 135 D CB -0.588 40.244 40.800 0.053 0.000 0.983 135 D HN 0.432 nan 8.370 nan 0.000 0.453 136 D N 0.724 121.199 120.400 0.124 0.000 2.170 136 D HA -0.181 4.459 4.640 -0.000 0.000 0.193 136 D C 2.277 178.669 176.300 0.153 0.000 1.004 136 D CA 0.740 54.838 54.000 0.163 0.000 0.860 136 D CB -0.229 40.733 40.800 0.271 0.000 0.931 136 D HN 0.124 nan 8.370 nan 0.000 0.448 137 L N 0.731 122.062 121.223 0.181 0.000 1.970 137 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 137 L C 2.724 179.698 176.870 0.173 0.000 1.071 137 L CA 1.241 56.192 54.840 0.185 0.000 0.751 137 L CB -1.020 41.230 42.059 0.319 0.000 0.889 137 L HN 0.061 nan 8.230 nan 0.000 0.432 138 L N -1.162 120.217 121.223 0.260 0.000 2.081 138 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 138 L C 2.732 179.675 176.870 0.122 0.000 1.080 138 L CA 1.308 56.315 54.840 0.277 0.000 0.754 138 L CB -0.663 41.517 42.059 0.202 0.000 0.893 138 L HN 0.263 nan 8.230 nan 0.000 0.433 139 R N -0.409 120.142 120.500 0.085 0.000 2.075 139 R HA -0.156 4.184 4.340 -0.000 0.000 0.232 139 R C 2.255 178.557 176.300 0.003 0.000 1.126 139 R CA 1.249 57.376 56.100 0.045 0.000 0.963 139 R CB -0.524 29.808 30.300 0.054 0.000 0.858 139 R HN 0.213 nan 8.270 nan 0.000 0.435 140 L N 0.821 122.033 121.223 -0.019 0.000 1.988 140 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 140 L C 2.158 178.944 176.870 -0.140 0.000 1.071 140 L CA 1.589 56.381 54.840 -0.079 0.000 0.744 140 L CB -0.465 41.527 42.059 -0.111 0.000 0.893 140 L HN -0.122 nan 8.230 nan 0.000 0.433 141 V N -0.400 119.376 119.914 -0.230 0.000 2.392 141 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 141 V C 1.613 177.609 176.094 -0.162 0.000 1.059 141 V CA 1.313 63.413 62.300 -0.332 0.000 1.051 141 V CB -0.886 30.515 31.823 -0.703 0.000 0.658 141 V HN 0.512 nan 8.190 nan 0.000 0.455 145 E N 0.493 120.656 120.200 -0.061 0.000 2.442 145 E HA -0.157 4.193 4.350 -0.000 0.000 0.256 145 E C 0.222 176.785 176.600 -0.061 0.000 1.095 145 E CA 0.440 56.811 56.400 -0.047 0.000 0.747 145 E CB -1.123 28.560 29.700 -0.029 0.000 1.310 145 E HN 0.500 nan 8.360 nan 0.000 0.396 146 A N 0.466 123.225 122.820 -0.101 0.000 2.304 146 A HA 0.283 4.603 4.320 -0.000 0.000 0.271 146 A C 0.848 178.365 177.584 -0.112 0.000 1.091 146 A CA -0.281 51.683 52.037 -0.121 0.000 0.812 146 A CB 0.495 19.382 19.000 -0.189 0.000 1.056 146 A HN 0.215 nan 8.150 nan 0.000 0.489 147 D N -0.027 120.319 120.400 -0.090 0.000 2.339 147 D HA 0.393 5.033 4.640 -0.000 0.000 0.217 147 D C 0.480 176.741 176.300 -0.066 0.000 1.050 147 D CA 1.379 55.346 54.000 -0.057 0.000 0.856 147 D CB 0.495 41.272 40.800 -0.039 0.000 0.922 147 D HN 0.715 nan 8.370 nan 0.000 0.518 148 A N 0.345 123.078 122.820 -0.145 0.000 2.483 148 A HA 0.529 4.849 4.320 -0.000 0.000 0.294 148 A C -2.230 175.168 177.584 -0.308 0.000 1.077 148 A CA -0.635 51.314 52.037 -0.147 0.000 0.633 148 A CB 1.324 20.269 19.000 -0.092 0.000 1.318 148 A HN 0.039 nan 8.150 nan 0.000 0.455 149 L N 0.160 121.222 121.223 -0.268 0.000 2.436 149 L HA 0.847 5.187 4.340 -0.000 0.000 0.268 149 L C -0.667 176.015 176.870 -0.313 0.000 0.974 149 L CA -0.162 54.444 54.840 -0.391 0.000 0.826 149 L CB 1.472 43.186 42.059 -0.575 0.000 1.291 149 L HN 1.549 nan 8.230 nan 0.000 0.406 150 A N 4.675 127.287 122.820 -0.345 0.000 2.330 150 A HA 0.749 5.069 4.320 -0.000 0.000 0.313 150 A C -1.477 175.924 177.584 -0.304 0.000 1.124 150 A CA -0.401 51.504 52.037 -0.219 0.000 0.774 150 A CB 0.735 19.695 19.000 -0.067 0.000 1.198 150 A HN 0.567 nan 8.150 nan 0.000 0.465 151 F N 3.350 123.300 119.950 -0.000 0.000 2.420 151 F HA 0.402 4.929 4.527 -0.000 0.000 0.342 151 F C 1.076 176.868 175.800 -0.014 0.000 1.113 151 F CA -0.143 57.821 58.000 -0.060 0.000 1.059 151 F CB 1.442 40.412 39.000 -0.050 0.000 1.128 151 F HN 0.684 nan 8.300 nan 0.000 0.475 152 H N 1.732 120.905 119.070 0.172 0.000 2.469 152 H HA 0.688 5.244 4.556 -0.000 0.000 0.342 152 H C -1.427 173.981 175.328 0.134 0.000 1.115 152 H CA -1.008 55.101 56.048 0.102 0.000 1.204 152 H CB 1.636 31.405 29.762 0.012 0.000 1.492 152 H HN 0.547 nan 8.280 nan 0.000 0.499 153 V N 3.777 123.843 119.914 0.253 0.000 2.630 153 V HA 0.333 4.453 4.120 -0.000 0.000 0.305 153 V C -0.671 175.535 176.094 0.185 0.000 1.046 153 V CA -0.616 61.829 62.300 0.242 0.000 0.934 153 V CB 1.495 33.406 31.823 0.146 0.000 1.003 153 V HN 1.065 nan 8.190 nan 0.000 0.451 154 N N 5.182 123.955 118.700 0.121 0.000 2.820 154 N HA 0.163 4.903 4.740 -0.000 0.000 0.209 154 N C -2.523 172.868 175.510 -0.198 0.000 1.406 154 N CA -0.604 52.445 53.050 -0.002 0.000 0.916 154 N CB 0.905 39.458 38.487 0.110 0.000 1.532 154 N HN 0.409 nan 8.380 nan 0.000 0.559 155 P HA -0.168 nan 4.420 nan 0.000 0.215 155 P C 1.633 178.775 177.300 -0.265 0.000 1.153 155 P CA 0.459 63.083 63.100 -0.793 0.000 0.853 155 P CB 0.820 31.972 31.700 -0.913 0.000 0.788 156 L N -0.152 120.925 121.223 -0.243 0.000 2.046 156 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 156 L C 2.837 179.618 176.870 -0.148 0.000 1.077 156 L CA 1.965 56.681 54.840 -0.207 0.000 0.747 156 L CB -0.884 40.974 42.059 -0.335 0.000 0.896 156 L HN 0.059 nan 8.230 nan 0.000 0.432 157 Q N -0.373 119.347 119.800 -0.132 0.000 2.030 157 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 157 Q C 1.890 177.951 176.000 0.101 0.000 0.986 157 Q CA 1.760 57.584 55.803 0.035 0.000 0.843 157 Q CB 0.030 28.842 28.738 0.123 0.000 0.904 157 Q HN 0.414 nan 8.270 nan 0.000 0.420 158 E N 0.231 120.507 120.200 0.126 0.000 2.160 158 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 158 E C 1.777 178.459 176.600 0.137 0.000 0.991 158 E CA 1.032 57.540 56.400 0.181 0.000 0.810 158 E CB -0.244 29.654 29.700 0.331 0.000 0.742 158 E HN 0.499 nan 8.360 nan 0.000 0.466 159 A N 0.940 123.813 122.820 0.088 0.000 1.841 159 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 159 A C 2.621 180.243 177.584 0.063 0.000 1.195 159 A CA 1.551 53.626 52.037 0.064 0.000 0.611 159 A CB -0.781 18.231 19.000 0.020 0.000 0.835 159 A HN 0.137 nan 8.150 nan 0.000 0.443 160 V N 0.460 120.411 119.914 0.061 0.000 2.392 160 V HA -0.325 3.795 4.120 -0.000 0.000 0.249 160 V C 2.738 178.893 176.094 0.103 0.000 1.059 160 V CA 2.346 64.698 62.300 0.086 0.000 1.051 160 V CB -0.932 30.953 31.823 0.103 0.000 0.658 160 V HN 0.791 nan 8.190 nan 0.000 0.455 161 Q N 0.290 120.160 119.800 0.116 0.000 2.167 161 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 161 Q C 0.518 176.571 176.000 0.088 0.000 0.970 161 Q CA 0.996 56.871 55.803 0.121 0.000 0.855 161 Q CB 0.167 29.009 28.738 0.173 0.000 0.911 161 Q HN 0.592 nan 8.270 nan 0.000 0.438 162 R N -0.859 119.693 120.500 0.086 0.000 3.390 162 R HA -0.116 4.224 4.340 -0.000 0.000 0.280 162 R C 0.059 176.401 176.300 0.069 0.000 1.126 162 R CA 0.349 56.490 56.100 0.069 0.000 0.757 162 R CB -2.333 27.997 30.300 0.050 0.000 1.296 162 R HN 0.476 nan 8.270 nan 0.000 0.431 163 G N 0.080 108.932 108.800 0.087 0.000 2.890 163 G HA2 0.268 4.228 3.960 -0.000 0.000 0.189 163 G HA3 0.268 4.228 3.960 -0.000 0.000 0.189 163 G C -0.556 174.381 174.900 0.063 0.000 1.342 163 G CA -0.275 44.869 45.100 0.074 0.000 1.026 163 G HN 0.150 nan 8.290 nan 0.000 0.579 164 D N -0.274 120.146 120.400 0.033 0.000 2.426 164 D HA 0.120 4.760 4.640 -0.000 0.000 0.261 164 D C 0.791 177.103 176.300 0.020 0.000 1.245 164 D CA 0.385 54.373 54.000 -0.019 0.000 0.917 164 D CB 0.801 41.542 40.800 -0.098 0.000 1.123 164 D HN 0.139 nan 8.370 nan 0.000 0.508 165 T N 2.655 117.244 114.554 0.060 0.000 3.145 165 T HA 0.028 4.378 4.350 -0.000 0.000 0.255 165 T C -0.308 174.505 174.700 0.187 0.000 1.039 165 T CA -0.447 61.761 62.100 0.181 0.000 0.928 165 T CB -0.105 68.842 68.868 0.132 0.000 1.029 165 T HN 0.302 nan 8.240 nan 0.000 0.554 166 D N 0.286 120.680 120.400 -0.009 0.000 2.392 166 D HA 0.270 4.910 4.640 -0.000 0.000 0.228 166 D C -0.354 175.825 176.300 -0.201 0.000 1.074 166 D CA -0.661 53.327 54.000 -0.019 0.000 0.838 166 D CB 0.268 41.037 40.800 -0.051 0.000 1.067 166 D HN 0.179 nan 8.370 nan 0.000 0.511 167 F N 2.126 122.074 119.950 -0.003 0.000 2.772 167 F HA 0.323 4.850 4.527 -0.000 0.000 0.302 167 F C 1.085 176.876 175.800 -0.014 0.000 1.136 167 F CA -0.679 57.316 58.000 -0.010 0.000 1.322 167 F CB 0.327 39.324 39.000 -0.005 0.000 0.967 167 F HN 0.019 nan 8.300 nan 0.000 0.513 168 R N 0.088 120.638 120.500 0.084 0.000 2.491 168 R HA 0.315 4.655 4.340 -0.000 0.000 0.283 168 R C 1.322 177.632 176.300 0.017 0.000 1.072 168 R CA 0.595 56.725 56.100 0.051 0.000 1.048 168 R CB 0.390 30.708 30.300 0.029 0.000 0.983 168 R HN 0.413 nan 8.270 nan 0.000 0.450 169 G N 2.633 111.444 108.800 0.018 0.000 2.361 169 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.294 169 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.294 169 G C 0.442 175.329 174.900 -0.021 0.000 1.004 169 G CA 0.218 45.317 45.100 -0.002 0.000 0.870 169 G HN 0.473 nan 8.290 nan 0.000 0.510 170 L N -0.586 120.629 121.223 -0.013 0.000 2.209 170 L HA 0.088 4.428 4.340 -0.000 0.000 0.207 170 L C 2.912 179.741 176.870 -0.068 0.000 1.094 170 L CA 1.446 56.255 54.840 -0.052 0.000 0.790 170 L CB -0.238 41.802 42.059 -0.032 0.000 0.932 170 L HN 0.229 nan 8.230 nan 0.000 0.447 171 V N 0.191 120.087 119.914 -0.029 0.000 2.343 171 V HA -0.221 3.899 4.120 -0.000 0.000 0.247 171 V C 2.516 178.583 176.094 -0.045 0.000 1.051 171 V CA 1.797 64.077 62.300 -0.033 0.000 1.036 171 V CB -0.784 31.036 31.823 -0.004 0.000 0.654 171 V HN 0.544 nan 8.190 nan 0.000 0.451 172 E N 1.081 121.259 120.200 -0.036 0.000 2.076 172 E HA -0.223 4.127 4.350 -0.000 0.000 0.190 172 E C 2.223 178.793 176.600 -0.050 0.000 0.979 172 E CA 0.939 57.318 56.400 -0.034 0.000 0.807 172 E CB -0.567 29.120 29.700 -0.022 0.000 0.761 172 E HN 0.531 nan 8.360 nan 0.000 0.454 173 R N 0.496 120.960 120.500 -0.061 0.000 2.170 173 R HA -0.139 4.201 4.340 -0.000 0.000 0.242 173 R C 2.344 178.585 176.300 -0.098 0.000 1.145 173 R CA 1.095 57.151 56.100 -0.072 0.000 0.984 173 R CB -0.164 30.087 30.300 -0.080 0.000 0.869 173 R HN 0.220 nan 8.270 nan 0.000 0.455 174 L N -0.307 120.836 121.223 -0.133 0.000 2.084 174 L HA 0.160 4.500 4.340 -0.000 0.000 0.202 174 L C 2.217 179.038 176.870 -0.082 0.000 1.074 174 L CA 1.868 56.607 54.840 -0.168 0.000 0.757 174 L CB -0.739 41.171 42.059 -0.248 0.000 0.918 174 L HN 0.138 nan 8.230 nan 0.000 0.444 175 A N 0.386 123.171 122.820 -0.059 0.000 1.915 175 A HA -0.345 3.975 4.320 -0.000 0.000 0.220 175 A C 2.129 179.697 177.584 -0.026 0.000 1.198 175 A CA 2.566 54.584 52.037 -0.031 0.000 0.647 175 A CB -1.020 17.966 19.000 -0.023 0.000 0.825 175 A HN 0.760 nan 8.150 nan 0.000 0.456 176 E N 0.242 120.424 120.200 -0.030 0.000 2.005 176 E HA -0.124 4.226 4.350 -0.000 0.000 0.191 176 E C 1.642 178.228 176.600 -0.023 0.000 0.987 176 E CA 1.314 57.700 56.400 -0.024 0.000 0.814 176 E CB -0.851 28.835 29.700 -0.023 0.000 0.772 176 E HN 0.737 nan 8.360 nan 0.000 0.453 177 L N 0.575 121.783 121.223 -0.025 0.000 2.821 177 L HA 0.092 4.432 4.340 -0.000 0.000 0.254 177 L C 1.554 178.416 176.870 -0.013 0.000 1.151 177 L CA 0.442 55.272 54.840 -0.017 0.000 0.937 177 L CB -0.271 41.783 42.059 -0.008 0.000 1.141 177 L HN 0.149 nan 8.230 nan 0.000 0.425 178 L N 1.142 122.355 121.223 -0.017 0.000 1.848 178 L HA 0.163 4.503 4.340 -0.000 0.000 0.225 178 L C -0.945 175.906 176.870 -0.032 0.000 1.106 178 L CA 0.640 55.476 54.840 -0.007 0.000 0.906 178 L CB -1.733 40.324 42.059 -0.002 0.000 0.914 178 L HN 0.311 nan 8.230 nan 0.000 0.476 179 P HA -0.175 nan 4.420 nan 0.000 0.035 179 P C -0.955 176.276 177.300 -0.116 0.000 0.507 179 P CA 0.683 63.745 63.100 -0.062 0.000 1.047 179 P CB -0.559 31.112 31.700 -0.048 0.000 1.842 180 L N 4.611 125.725 121.223 -0.182 0.000 2.375 180 L HA 0.391 4.731 4.340 -0.000 0.000 0.268 180 L C -0.661 175.920 176.870 -0.481 0.000 1.058 180 L CA -1.950 52.655 54.840 -0.392 0.000 0.803 180 L CB 0.254 41.966 42.059 -0.578 0.000 1.212 180 L HN 0.079 nan 8.230 nan 0.000 0.451 181 P HA -0.135 nan 4.420 nan 0.000 0.219 181 P C -0.406 176.729 177.300 -0.276 0.000 1.146 181 P CA 1.294 64.169 63.100 -0.375 0.000 0.808 181 P CB -0.070 31.471 31.700 -0.265 0.000 0.779 182 F N -0.562 119.378 119.950 -0.017 0.000 2.561 182 F HA 0.746 5.272 4.527 -0.000 0.000 0.321 182 F C -2.764 173.013 175.800 -0.038 0.000 1.065 182 F CA -4.389 53.590 58.000 -0.034 0.000 0.934 182 F CB -0.638 38.336 39.000 -0.043 0.000 1.215 182 F HN -0.339 nan 8.300 nan 0.000 0.471 183 P HA 0.180 nan 4.420 nan 0.000 0.268 183 P C -0.648 176.745 177.300 0.155 0.000 1.205 183 P CA 0.066 63.218 63.100 0.088 0.000 0.771 183 P CB 1.833 33.520 31.700 -0.022 0.000 0.858 187 K N 1.467 121.950 120.400 0.139 0.000 2.533 187 K HA 0.908 5.228 4.320 -0.000 0.000 0.272 187 K C -0.920 175.757 176.600 0.127 0.000 0.985 187 K CA -0.872 55.483 56.287 0.113 0.000 0.876 187 K CB 3.188 35.743 32.500 0.093 0.000 1.452 187 K HN 0.602 nan 8.250 nan 0.000 0.439 188 E N 0.104 120.362 120.200 0.097 0.000 2.518 188 E HA 0.331 4.681 4.350 -0.000 0.000 0.248 188 E C -0.314 176.326 176.600 0.066 0.000 1.028 188 E CA -0.635 55.825 56.400 0.100 0.000 0.922 188 E CB 1.711 31.471 29.700 0.100 0.000 1.299 188 E HN 0.508 nan 8.360 nan 0.000 0.457 189 V N -1.271 118.684 119.914 0.069 0.000 3.006 189 V HA 0.643 4.763 4.120 -0.000 0.000 0.357 189 V C 0.709 176.922 176.094 0.198 0.000 1.377 189 V CA 0.272 62.565 62.300 -0.011 0.000 1.198 189 V CB -0.172 31.491 31.823 -0.266 0.000 1.216 189 V HN 0.904 nan 8.190 nan 0.000 0.520 190 G N 0.578 109.515 108.800 0.228 0.000 2.205 190 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.180 190 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.180 190 G C 0.221 175.219 174.900 0.164 0.000 1.004 190 G CA 0.279 45.531 45.100 0.253 0.000 0.670 190 G HN 0.636 nan 8.290 nan 0.000 0.496 191 H N 0.268 119.465 119.070 0.211 0.000 2.705 191 H HA 0.501 5.057 4.556 -0.000 0.000 0.269 191 H C 1.442 176.827 175.328 0.094 0.000 0.998 191 H CA 1.268 57.434 56.048 0.198 0.000 1.193 191 H CB 1.000 30.869 29.762 0.178 0.000 1.485 191 H HN 1.377 nan 8.280 nan 0.000 0.521 192 G N 0.487 109.376 108.800 0.149 0.000 2.716 192 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.686 192 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.686 192 G C -0.918 174.023 174.900 0.069 0.000 1.337 192 G CA -0.694 44.453 45.100 0.079 0.000 0.829 192 G HN 0.198 nan 8.290 nan 0.000 0.599 193 L N 1.796 123.047 121.223 0.046 0.000 2.287 193 L HA 0.580 4.920 4.340 -0.000 0.000 0.287 193 L C 1.285 178.171 176.870 0.026 0.000 1.022 193 L CA -0.406 54.457 54.840 0.037 0.000 0.814 193 L CB 1.633 43.715 42.059 0.039 0.000 1.217 193 L HN 0.985 nan 8.230 nan 0.000 0.420 194 S N 2.993 118.707 115.700 0.023 0.000 2.641 194 S HA 0.209 4.679 4.470 -0.000 0.000 0.261 194 S C 1.193 175.802 174.600 0.015 0.000 1.257 194 S CA -0.424 57.786 58.200 0.018 0.000 0.983 194 S CB 0.984 64.194 63.200 0.016 0.000 0.990 194 S HN 0.812 nan 8.310 nan 0.000 0.572 195 R N 0.816 121.324 120.500 0.012 0.000 2.092 195 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 195 R C 1.624 177.931 176.300 0.012 0.000 1.119 195 R CA 1.587 57.693 56.100 0.011 0.000 0.970 195 R CB -0.679 29.626 30.300 0.009 0.000 0.864 195 R HN 0.803 nan 8.270 nan 0.000 0.440 196 E N 1.411 121.618 120.200 0.011 0.000 2.150 196 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 196 E C 2.019 178.627 176.600 0.013 0.000 0.985 196 E CA 1.256 57.663 56.400 0.011 0.000 0.814 196 E CB -0.354 29.352 29.700 0.010 0.000 0.752 196 E HN 0.519 nan 8.360 nan 0.000 0.466 197 A N 2.001 124.829 122.820 0.014 0.000 1.933 197 A HA 0.046 4.366 4.320 -0.000 0.000 0.218 197 A C 2.498 180.095 177.584 0.022 0.000 1.175 197 A CA 1.989 54.037 52.037 0.017 0.000 0.628 197 A CB -0.597 18.414 19.000 0.019 0.000 0.814 197 A HN 0.339 nan 8.150 nan 0.000 0.444 198 A N -0.414 122.419 122.820 0.021 0.000 1.969 198 A HA 0.060 4.380 4.320 -0.000 0.000 0.218 198 A C 2.112 179.709 177.584 0.021 0.000 1.169 198 A CA 1.253 53.304 52.037 0.023 0.000 0.635 198 A CB -0.491 18.520 19.000 0.019 0.000 0.810 198 A HN 0.469 nan 8.150 nan 0.000 0.445 199 L N -0.831 120.403 121.223 0.017 0.000 2.056 199 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 199 L C 2.938 179.818 176.870 0.017 0.000 1.078 199 L CA 1.013 55.862 54.840 0.016 0.000 0.749 199 L CB -0.471 41.596 42.059 0.013 0.000 0.901 199 L HN 0.410 nan 8.230 nan 0.000 0.433 200 A N -0.590 122.240 122.820 0.017 0.000 2.172 200 A HA -0.054 4.266 4.320 -0.000 0.000 0.216 200 A C 2.057 179.652 177.584 0.019 0.000 1.154 200 A CA 1.123 53.170 52.037 0.016 0.000 0.701 200 A CB -0.352 18.658 19.000 0.017 0.000 0.789 200 A HN 0.440 nan 8.150 nan 0.000 0.465 201 L N -2.383 118.855 121.223 0.024 0.000 2.701 201 L HA 0.171 4.511 4.340 -0.000 0.000 0.238 201 L C 2.262 179.150 176.870 0.029 0.000 1.106 201 L CA 0.111 54.968 54.840 0.029 0.000 0.898 201 L CB -0.195 41.887 42.059 0.039 0.000 1.188 201 L HN 0.387 nan 8.230 nan 0.000 0.508 202 R N 0.835 121.351 120.500 0.027 0.000 2.170 202 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 202 R C 1.248 177.564 176.300 0.027 0.000 1.145 202 R CA 1.875 57.992 56.100 0.028 0.000 0.984 202 R CB 0.078 30.393 30.300 0.025 0.000 0.869 202 R HN 0.305 nan 8.270 nan 0.000 0.455 203 D N -0.290 120.123 120.400 0.021 0.000 2.240 203 D HA 0.008 4.648 4.640 -0.000 0.000 0.206 203 D C 0.003 176.313 176.300 0.017 0.000 0.963 203 D CA 0.377 54.388 54.000 0.017 0.000 0.863 203 D CB 0.056 40.863 40.800 0.012 0.000 0.973 203 D HN 0.037 nan 8.370 nan 0.000 0.501 204 L N 2.592 123.826 121.223 0.018 0.000 2.453 204 L HA 0.149 4.489 4.340 -0.000 0.000 0.272 204 L C -1.801 175.085 176.870 0.026 0.000 1.182 204 L CA -0.943 53.908 54.840 0.019 0.000 0.858 204 L CB -0.336 41.736 42.059 0.022 0.000 1.120 204 L HN -0.086 nan 8.230 nan 0.000 0.474 205 P HA 0.156 nan 4.420 nan 0.000 0.231 205 P C -0.504 176.816 177.300 0.034 0.000 1.811 205 P CA -0.129 62.985 63.100 0.023 0.000 1.051 205 P CB 0.002 31.708 31.700 0.010 0.000 1.951 206 L N 1.297 122.548 121.223 0.047 0.000 2.439 206 L HA 0.351 4.691 4.340 -0.000 0.000 0.261 206 L C 1.831 178.732 176.870 0.050 0.000 1.153 206 L CA -0.542 54.335 54.840 0.062 0.000 0.808 206 L CB 0.645 42.750 42.059 0.077 0.000 1.126 206 L HN 0.114 nan 8.230 nan 0.000 0.460 207 A N 1.674 124.520 122.820 0.044 0.000 2.030 207 A HA 0.553 4.873 4.320 -0.000 0.000 0.215 207 A C 0.736 178.338 177.584 0.031 0.000 1.164 207 A CA 1.073 53.114 52.037 0.007 0.000 0.697 207 A CB -0.010 18.964 19.000 -0.043 0.000 0.827 207 A HN 0.827 nan 8.150 nan 0.000 0.457 208 A N -2.546 120.322 122.820 0.081 0.000 2.490 208 A HA 0.559 4.879 4.320 -0.000 0.000 0.292 208 A C -1.542 176.129 177.584 0.145 0.000 1.047 208 A CA -0.159 51.972 52.037 0.157 0.000 0.632 208 A CB 0.262 19.450 19.000 0.312 0.000 1.323 208 A HN 0.648 nan 8.150 nan 0.000 0.448 209 V N 0.716 120.715 119.914 0.142 0.000 2.925 209 V HA 0.632 4.752 4.120 -0.000 0.000 0.311 209 V C -1.445 174.701 176.094 0.087 0.000 1.104 209 V CA -0.386 61.977 62.300 0.106 0.000 0.954 209 V CB 2.164 34.034 31.823 0.078 0.000 1.022 209 V HN 0.951 nan 8.190 nan 0.000 0.427 210 D N 1.760 122.205 120.400 0.074 0.000 2.453 210 D HA 0.370 5.010 4.640 -0.000 0.000 0.238 210 D C 0.773 177.098 176.300 0.041 0.000 1.088 210 D CA -0.297 53.729 54.000 0.043 0.000 0.854 210 D CB 1.914 42.738 40.800 0.041 0.000 1.076 210 D HN 0.360 nan 8.370 nan 0.000 0.533 211 V N 2.451 122.380 119.914 0.025 0.000 2.759 211 V HA 0.082 4.202 4.120 -0.000 0.000 0.256 211 V C 1.367 177.481 176.094 0.032 0.000 1.080 211 V CA 0.698 63.013 62.300 0.026 0.000 1.101 211 V CB -1.439 30.390 31.823 0.009 0.000 0.698 211 V HN 0.792 nan 8.190 nan 0.000 0.477 212 A N 0.759 123.596 122.820 0.027 0.000 2.049 212 A HA -0.001 4.319 4.320 -0.000 0.000 0.263 212 A C 0.942 178.556 177.584 0.051 0.000 1.316 212 A CA 0.787 52.848 52.037 0.041 0.000 0.759 212 A CB -1.913 17.120 19.000 0.056 0.000 1.141 212 A HN 1.554 nan 8.150 nan 0.000 0.325 213 G N -0.307 108.501 108.800 0.013 0.000 2.588 213 G HA2 0.744 4.704 3.960 -0.000 0.000 0.281 213 G HA3 0.744 4.704 3.960 -0.000 0.000 0.281 213 G C 0.477 175.330 174.900 -0.078 0.000 1.236 213 G CA 0.007 45.097 45.100 -0.018 0.000 0.969 213 G HN 1.969 nan 8.290 nan 0.000 0.504 214 A N -1.946 120.750 122.820 -0.205 0.000 2.332 214 A HA 0.640 4.960 4.320 -0.000 0.000 0.258 214 A C 1.262 178.468 177.584 -0.631 0.000 1.087 214 A CA 0.905 52.581 52.037 -0.602 0.000 0.802 214 A CB 0.437 18.959 19.000 -0.796 0.000 1.042 214 A HN 2.341 nan 8.150 nan 0.000 0.489 215 G N -0.453 107.785 108.800 -0.936 0.000 2.545 215 G HA2 0.080 4.040 3.960 -0.000 0.000 0.195 215 G HA3 0.080 4.040 3.960 -0.000 0.000 0.195 215 G C 0.838 175.674 174.900 -0.106 0.000 1.009 215 G CA 0.565 45.416 45.100 -0.414 0.000 0.703 215 G HN 1.652 nan 8.290 nan 0.000 0.479 216 G N -0.197 108.611 108.800 0.014 0.000 3.387 216 G HA2 0.482 4.442 3.960 -0.000 0.000 0.195 216 G HA3 0.482 4.442 3.960 -0.000 0.000 0.195 216 G C 0.565 175.670 174.900 0.342 0.000 1.853 216 G CA 1.119 46.284 45.100 0.108 0.000 0.879 216 G HN 1.169 nan 8.290 nan 0.000 0.651 217 T N -0.605 114.126 114.554 0.294 0.000 2.817 217 T HA 0.431 4.781 4.350 -0.000 0.000 0.293 217 T C 0.037 174.723 174.700 -0.023 0.000 0.964 217 T CA 0.105 62.250 62.100 0.075 0.000 1.085 217 T CB 0.925 69.787 68.868 -0.011 0.000 0.921 217 T HN 0.493 nan 8.240 nan 0.000 0.502 218 S N 4.373 119.818 115.700 -0.425 0.000 2.404 218 S HA 0.242 4.712 4.470 -0.000 0.000 0.309 218 S C 0.579 175.017 174.600 -0.269 0.000 1.076 218 S CA -0.860 56.919 58.200 -0.702 0.000 1.095 218 S CB -0.057 62.359 63.200 -1.306 0.000 0.972 218 S HN 0.898 nan 8.310 nan 0.000 0.484 219 W N 3.714 125.081 121.300 0.112 0.000 2.525 219 W HA 0.088 4.748 4.660 -0.000 0.000 0.259 219 W C 2.265 178.880 176.519 0.161 0.000 1.253 219 W CA 0.678 58.121 57.345 0.163 0.000 1.262 219 W CB -0.185 29.390 29.460 0.191 0.000 1.122 219 W HN 0.904 nan 8.180 nan 0.000 0.607 220 A N 0.170 123.209 122.820 0.366 0.000 1.929 220 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 220 A C 2.027 179.683 177.584 0.119 0.000 1.176 220 A CA 1.192 53.352 52.037 0.206 0.000 0.628 220 A CB -0.442 18.691 19.000 0.222 0.000 0.816 220 A HN 0.256 nan 8.150 nan 0.000 0.444 221 R N -0.633 119.877 120.500 0.018 0.000 2.062 221 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 221 R C 2.017 178.316 176.300 -0.001 0.000 1.128 221 R CA 1.364 57.467 56.100 0.004 0.000 0.960 221 R CB -0.550 29.688 30.300 -0.105 0.000 0.855 221 R HN 0.363 nan 8.270 nan 0.000 0.432 222 V N 1.234 121.032 119.914 -0.194 0.000 2.392 222 V HA -0.247 3.873 4.120 -0.000 0.000 0.249 222 V C 2.128 178.140 176.094 -0.137 0.000 1.059 222 V CA 1.902 64.006 62.300 -0.327 0.000 1.051 222 V CB -0.429 30.865 31.823 -0.882 0.000 0.658 222 V HN 0.255 nan 8.190 nan 0.000 0.455 223 E N 0.235 120.432 120.200 -0.006 0.000 2.047 223 E HA -0.169 4.181 4.350 -0.000 0.000 0.191 223 E C 2.298 178.931 176.600 0.055 0.000 0.987 223 E CA 1.338 57.766 56.400 0.047 0.000 0.799 223 E CB -0.211 29.588 29.700 0.165 0.000 0.752 223 E HN 0.609 nan 8.360 nan 0.000 0.449 224 E N -0.639 119.652 120.200 0.151 0.000 2.106 224 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 224 E C 1.807 178.549 176.600 0.237 0.000 0.984 224 E CA 0.604 57.163 56.400 0.264 0.000 0.806 224 E CB -0.350 29.570 29.700 0.367 0.000 0.750 224 E HN 0.455 nan 8.360 nan 0.000 0.458 225 W N 1.385 122.695 121.300 0.018 0.000 2.374 225 W HA -0.154 4.506 4.660 0.000 0.000 0.288 225 W C 1.674 178.149 176.519 -0.072 0.000 1.218 225 W CA 1.009 58.344 57.345 -0.016 0.000 1.245 225 W CB 0.050 29.460 29.460 -0.082 0.000 1.126 225 W HN -0.117 nan 8.180 nan 0.000 0.545 226 V N 0.950 120.921 119.914 0.095 0.000 2.667 226 V HA -0.196 3.924 4.120 -0.000 0.000 0.252 226 V C 2.319 178.331 176.094 -0.138 0.000 1.065 226 V CA 1.677 63.959 62.300 -0.030 0.000 1.083 226 V CB -0.601 31.112 31.823 -0.183 0.000 0.692 226 V HN 0.077 nan 8.190 nan 0.000 0.468 227 R N -1.179 119.161 120.500 -0.266 0.000 2.173 227 R HA 0.144 4.484 4.340 -0.000 0.000 0.208 227 R C 1.556 177.409 176.300 -0.744 0.000 1.035 227 R CA 1.074 56.824 56.100 -0.584 0.000 1.004 227 R CB 0.039 29.788 30.300 -0.918 0.000 0.917 227 R HN 0.545 nan 8.270 nan 0.000 0.462 228 F N -1.744 118.130 119.950 -0.127 0.000 2.817 228 F HA 0.368 4.895 4.527 0.000 0.000 0.333 228 F C 1.244 176.845 175.800 -0.331 0.000 1.085 228 F CA 0.102 57.990 58.000 -0.185 0.000 1.170 228 F CB 1.062 39.960 39.000 -0.169 0.000 1.066 228 F HN 0.071 nan 8.300 nan 0.000 0.564 229 G N 1.493 110.078 108.800 -0.359 0.000 2.143 229 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.248 229 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.248 229 G C -0.129 173.984 174.900 -1.313 0.000 0.991 229 G CA 0.484 45.124 45.100 -0.765 0.000 0.689 229 G HN 0.540 nan 8.290 nan 0.000 0.522 230 E N -2.369 117.244 120.200 -0.978 0.000 2.392 230 E HA 0.461 4.811 4.350 -0.000 0.000 0.281 230 E C -1.040 175.430 176.600 -0.215 0.000 1.088 230 E CA -1.207 54.718 56.400 -0.792 0.000 0.850 230 E CB 1.060 30.473 29.700 -0.479 0.000 1.267 230 E HN 0.374 nan 8.360 nan 0.000 0.438 231 V N 2.703 122.598 119.914 -0.032 0.000 2.372 231 V HA 0.193 4.313 4.120 -0.000 0.000 0.261 231 V C 1.171 177.196 176.094 -0.115 0.000 1.055 231 V CA -0.210 62.120 62.300 0.049 0.000 0.930 231 V CB 0.349 32.251 31.823 0.132 0.000 1.031 231 V HN 0.647 nan 8.190 nan 0.000 0.479 232 R N 2.224 122.559 120.500 -0.275 0.000 2.161 232 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 232 R C 0.186 176.106 176.300 -0.634 0.000 1.055 232 R CA 0.632 56.385 56.100 -0.578 0.000 0.996 232 R CB 0.186 29.854 30.300 -1.053 0.000 0.901 232 R HN 0.719 nan 8.270 nan 0.000 0.456 233 H N 0.739 119.756 119.070 -0.088 0.000 2.317 233 H HA 0.176 4.732 4.556 -0.000 0.000 0.231 233 H C -1.831 173.502 175.328 0.007 0.000 1.442 233 H CA -1.915 54.112 56.048 -0.034 0.000 1.336 233 H CB 1.042 30.796 29.762 -0.012 0.000 1.533 233 H HN 0.051 nan 8.280 nan 0.000 0.522 234 P HA -0.262 nan 4.420 nan 0.000 0.214 234 P C 1.543 178.896 177.300 0.089 0.000 1.169 234 P CA 1.345 64.484 63.100 0.063 0.000 0.908 234 P CB 0.646 32.367 31.700 0.034 0.000 0.791 235 E N -0.703 119.549 120.200 0.086 0.000 2.118 235 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 235 E C 2.136 178.801 176.600 0.108 0.000 0.992 235 E CA 0.495 56.950 56.400 0.091 0.000 0.804 235 E CB -0.453 29.291 29.700 0.072 0.000 0.741 235 E HN 0.016 nan 8.360 nan 0.000 0.458 236 L N 0.638 121.930 121.223 0.116 0.000 2.083 236 L HA -0.143 4.197 4.340 -0.000 0.000 0.209 236 L C 1.877 178.825 176.870 0.130 0.000 1.083 236 L CA 1.460 56.363 54.840 0.105 0.000 0.752 236 L CB -0.775 41.337 42.059 0.087 0.000 0.899 236 L HN 0.404 nan 8.230 nan 0.000 0.433 237 C N 0.020 119.405 119.300 0.142 0.000 2.562 237 C HA 0.069 4.529 4.460 -0.000 0.000 0.266 237 C C 2.055 177.150 174.990 0.174 0.000 1.382 237 C CA -0.325 58.787 59.018 0.156 0.000 1.742 237 C CB -0.623 27.176 27.740 0.098 0.000 1.812 237 C HN 0.464 nan 8.230 nan 0.000 0.559 238 E N 0.862 121.185 120.200 0.206 0.000 2.479 238 E HA 0.223 4.573 4.350 -0.000 0.000 0.193 238 E C 0.492 177.307 176.600 0.358 0.000 1.049 238 E CA 0.050 56.651 56.400 0.334 0.000 0.870 238 E CB 0.105 29.949 29.700 0.239 0.000 0.944 238 E HN 0.660 nan 8.360 nan 0.000 0.492 239 I N 1.404 122.154 120.570 0.300 0.000 2.683 239 I HA 0.121 4.291 4.170 -0.000 0.000 0.286 239 I C 0.957 177.281 176.117 0.344 0.000 1.175 239 I CA 0.667 62.118 61.300 0.250 0.000 1.429 239 I CB 0.442 38.550 38.000 0.181 0.000 1.371 239 I HN 0.010 nan 8.210 nan 0.000 0.569 240 G N 5.848 114.766 108.800 0.198 0.000 2.337 240 G HA2 0.324 4.284 3.960 -0.000 0.000 0.298 240 G HA3 0.324 4.284 3.960 -0.000 0.000 0.298 240 G C -1.769 173.159 174.900 0.048 0.000 1.335 240 G CA -0.908 44.291 45.100 0.165 0.000 0.875 240 G HN 0.270 nan 8.290 nan 0.000 0.579 241 I N 1.959 122.545 120.570 0.026 0.000 2.330 241 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 241 I C -2.076 174.004 176.117 -0.061 0.000 1.001 241 I CA -2.280 59.015 61.300 -0.008 0.000 1.193 241 I CB 1.835 39.842 38.000 0.011 0.000 1.345 241 I HN 0.101 nan 8.210 nan 0.000 0.461 242 P HA 0.040 nan 4.420 nan 0.000 0.264 242 P C 0.864 178.119 177.300 -0.075 0.000 1.183 242 P CA 0.223 63.251 63.100 -0.120 0.000 0.763 242 P CB 0.411 32.061 31.700 -0.083 0.000 0.807 243 T N 2.415 116.912 114.554 -0.095 0.000 2.680 243 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 243 T C 1.730 176.406 174.700 -0.040 0.000 1.033 243 T CA 2.279 64.342 62.100 -0.062 0.000 1.152 243 T CB -0.638 68.185 68.868 -0.075 0.000 0.859 243 T HN 0.495 nan 8.240 nan 0.000 0.452 244 A N 1.676 124.484 122.820 -0.020 0.000 1.877 244 A HA -0.122 4.198 4.320 -0.000 0.000 0.216 244 A C 2.419 180.007 177.584 0.007 0.000 1.186 244 A CA 1.229 53.265 52.037 -0.001 0.000 0.620 244 A CB -0.412 18.669 19.000 0.135 0.000 0.822 244 A HN 0.206 nan 8.150 nan 0.000 0.443 245 R N -0.362 120.158 120.500 0.033 0.000 2.081 245 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 245 R C 2.422 178.725 176.300 0.005 0.000 1.131 245 R CA 1.467 57.586 56.100 0.031 0.000 0.960 245 R CB -1.204 29.111 30.300 0.024 0.000 0.856 245 R HN 0.542 nan 8.270 nan 0.000 0.436 246 A N 0.996 123.812 122.820 -0.006 0.000 1.902 246 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 246 A C 2.330 179.905 177.584 -0.014 0.000 1.181 246 A CA 1.201 53.234 52.037 -0.006 0.000 0.623 246 A CB -0.479 18.517 19.000 -0.006 0.000 0.818 246 A HN 0.208 nan 8.150 nan 0.000 0.443 247 I N -0.348 120.205 120.570 -0.030 0.000 2.113 247 I HA -0.286 3.883 4.170 -0.000 0.000 0.238 247 I C 2.464 178.554 176.117 -0.044 0.000 1.070 247 I CA 1.357 62.631 61.300 -0.044 0.000 1.332 247 I CB -0.476 37.480 38.000 -0.073 0.000 1.044 247 I HN 0.304 nan 8.210 nan 0.000 0.402 248 L N 0.284 121.477 121.223 -0.049 0.000 1.989 248 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 248 L C 2.591 179.450 176.870 -0.020 0.000 1.071 248 L CA 1.672 56.489 54.840 -0.039 0.000 0.749 248 L CB -0.713 41.334 42.059 -0.020 0.000 0.890 248 L HN 0.279 nan 8.230 nan 0.000 0.431 249 E N -0.393 119.802 120.200 -0.008 0.000 2.031 249 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 249 E C 2.269 178.866 176.600 -0.004 0.000 0.994 249 E CA 1.493 57.892 56.400 -0.002 0.000 0.800 249 E CB -0.091 29.613 29.700 0.005 0.000 0.752 249 E HN 0.251 nan 8.360 nan 0.000 0.447 250 V N 1.056 120.967 119.914 -0.004 0.000 2.261 250 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 250 V C 2.403 178.491 176.094 -0.010 0.000 1.047 250 V CA 2.051 64.351 62.300 -0.001 0.000 1.015 250 V CB -0.493 31.333 31.823 0.005 0.000 0.642 250 V HN 0.164 nan 8.190 nan 0.000 0.446 251 R N 1.041 121.528 120.500 -0.022 0.000 2.096 251 R HA -0.267 4.073 4.340 -0.000 0.000 0.240 251 R C 2.211 178.484 176.300 -0.045 0.000 1.139 251 R CA 2.341 58.418 56.100 -0.038 0.000 0.952 251 R CB -0.689 29.583 30.300 -0.048 0.000 0.854 251 R HN 0.597 nan 8.270 nan 0.000 0.436 252 E N -0.373 119.807 120.200 -0.034 0.000 2.114 252 E HA -0.179 4.171 4.350 -0.000 0.000 0.199 252 E C 1.623 178.208 176.600 -0.025 0.000 1.008 252 E CA 2.303 58.686 56.400 -0.029 0.000 0.810 252 E CB -0.290 29.401 29.700 -0.015 0.000 0.739 252 E HN 0.283 nan 8.360 nan 0.000 0.456 253 V N -0.067 119.838 119.914 -0.016 0.000 2.599 253 V HA 0.030 4.150 4.120 -0.000 0.000 0.245 253 V C 1.238 177.329 176.094 -0.005 0.000 1.046 253 V CA 1.045 63.342 62.300 -0.006 0.000 1.065 253 V CB -0.224 31.601 31.823 0.004 0.000 0.703 253 V HN 0.225 nan 8.190 nan 0.000 0.464 254 L N 2.176 123.393 121.223 -0.011 0.000 2.599 254 L HA 0.313 4.653 4.340 -0.000 0.000 0.241 254 L C -1.469 175.371 176.870 -0.050 0.000 1.207 254 L CA -1.176 53.663 54.840 -0.002 0.000 0.987 254 L CB 0.807 42.879 42.059 0.021 0.000 1.318 254 L HN 0.131 nan 8.230 nan 0.000 0.458 255 P HA -0.178 nan 4.420 nan 0.000 0.222 255 P C 0.615 177.617 177.300 -0.496 0.000 1.142 255 P CA 1.642 64.549 63.100 -0.322 0.000 0.788 255 P CB 0.285 31.737 31.700 -0.414 0.000 0.767 256 H N -2.402 116.681 119.070 0.023 0.000 3.091 256 H HA 0.214 4.770 4.556 -0.000 0.000 0.249 256 H C 0.717 176.068 175.328 0.038 0.000 0.985 256 H CA -0.728 55.337 56.048 0.028 0.000 1.177 256 H CB -0.208 29.568 29.762 0.024 0.000 1.456 256 H HN -0.026 nan 8.280 nan 0.000 0.467 257 L N 5.113 126.414 121.223 0.130 0.000 2.540 257 L HA 0.133 4.473 4.340 -0.000 0.000 0.276 257 L C -2.254 174.679 176.870 0.106 0.000 1.212 257 L CA -2.092 52.814 54.840 0.109 0.000 0.893 257 L CB 0.244 42.355 42.059 0.087 0.000 1.138 257 L HN -0.034 nan 8.230 nan 0.000 0.491 258 P HA 0.061 nan 4.420 nan 0.000 0.267 258 P C -1.022 176.360 177.300 0.137 0.000 1.209 258 P CA 0.185 63.380 63.100 0.159 0.000 0.763 258 P CB 0.443 32.308 31.700 0.276 0.000 0.816 259 L N 3.535 124.798 121.223 0.067 0.000 2.325 259 L HA 0.470 4.810 4.340 -0.000 0.000 0.278 259 L C 0.156 177.010 176.870 -0.026 0.000 1.023 259 L CA -1.242 53.616 54.840 0.031 0.000 0.811 259 L CB 2.117 44.181 42.059 0.009 0.000 1.249 259 L HN 0.100 nan 8.230 nan 0.000 0.431 260 V N 2.194 122.089 119.914 -0.032 0.000 2.398 260 V HA 0.537 4.657 4.120 -0.000 0.000 0.286 260 V C 0.256 176.315 176.094 -0.059 0.000 1.026 260 V CA -0.573 61.671 62.300 -0.093 0.000 0.868 260 V CB 1.634 33.390 31.823 -0.112 0.000 0.982 260 V HN 0.850 nan 8.190 nan 0.000 0.443 261 A N 4.396 127.176 122.820 -0.067 0.000 2.260 261 A HA 0.839 5.159 4.320 -0.000 0.000 0.308 261 A C 0.150 177.709 177.584 -0.042 0.000 1.254 261 A CA -0.139 51.872 52.037 -0.043 0.000 0.874 261 A CB 0.703 19.683 19.000 -0.035 0.000 1.153 261 A HN 1.155 nan 8.150 nan 0.000 0.527 262 S N 1.103 116.788 115.700 -0.025 0.000 2.550 262 S HA 0.817 5.287 4.470 -0.000 0.000 0.270 262 S C -0.261 174.347 174.600 0.012 0.000 1.145 262 S CA -0.055 58.140 58.200 -0.008 0.000 0.852 262 S CB 1.340 64.526 63.200 -0.023 0.000 1.119 262 S HN 2.533 nan 8.310 nan 0.000 0.465 263 G N -0.003 108.822 108.800 0.041 0.000 2.602 263 G HA2 0.462 4.422 3.960 -0.000 0.000 0.291 263 G HA3 0.462 4.422 3.960 -0.000 0.000 0.291 263 G C 0.918 175.750 174.900 -0.113 0.000 0.988 263 G CA 0.284 45.400 45.100 0.026 0.000 1.295 263 G HN 2.502 nan 8.290 nan 0.000 0.630 264 G N -1.546 107.086 108.800 -0.279 0.000 2.137 264 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.237 264 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.237 264 G C 0.501 174.982 174.900 -0.698 0.000 1.002 264 G CA 0.430 44.943 45.100 -0.978 0.000 0.702 264 G HN 1.813 nan 8.290 nan 0.000 0.515 265 V N 1.513 121.298 119.914 -0.215 0.000 2.224 265 V HA 0.252 4.372 4.120 -0.000 0.000 0.289 265 V C 1.109 177.461 176.094 0.430 0.000 1.518 265 V CA -0.544 61.798 62.300 0.070 0.000 1.533 265 V CB -0.789 31.113 31.823 0.132 0.000 1.460 265 V HN 0.339 nan 8.190 nan 0.000 0.515 266 Y N 0.971 121.451 120.300 0.300 0.000 2.529 266 Y HA 0.161 4.711 4.550 -0.000 0.000 0.290 266 Y C 1.510 177.661 175.900 0.418 0.000 1.177 266 Y CA -0.253 58.120 58.100 0.455 0.000 1.305 266 Y CB -0.618 38.042 38.460 0.333 0.000 1.047 266 Y HN 0.611 nan 8.280 nan 0.000 0.522 267 T N -5.212 109.490 114.554 0.247 0.000 2.883 267 T HA 0.576 4.926 4.350 -0.000 0.000 0.296 267 T C 1.317 175.595 174.700 -0.702 0.000 1.117 267 T CA -0.349 61.624 62.100 -0.212 0.000 1.006 267 T CB 1.568 70.374 68.868 -0.103 0.000 1.191 267 T HN 0.040 nan 8.240 nan 0.000 0.508 268 G N 0.767 109.030 108.800 -0.896 0.000 2.421 268 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 268 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 268 G C 1.331 176.050 174.900 -0.302 0.000 1.171 268 G CA 1.410 46.069 45.100 -0.735 0.000 0.775 268 G HN 0.833 nan 8.290 nan 0.000 0.543 269 T N 0.982 115.413 114.554 -0.205 0.000 2.759 269 T HA -0.116 4.234 4.350 -0.000 0.000 0.269 269 T C 1.938 176.599 174.700 -0.065 0.000 1.042 269 T CA 1.529 63.570 62.100 -0.098 0.000 1.140 269 T CB -0.247 68.576 68.868 -0.075 0.000 0.864 269 T HN 0.148 nan 8.240 nan 0.000 0.455 270 D N 0.699 121.057 120.400 -0.071 0.000 2.149 270 D HA 0.022 4.662 4.640 -0.000 0.000 0.201 270 D C 2.404 178.707 176.300 0.006 0.000 0.972 270 D CA 1.021 55.010 54.000 -0.018 0.000 0.835 270 D CB -0.699 40.105 40.800 0.005 0.000 0.966 270 D HN 0.472 nan 8.370 nan 0.000 0.476 271 G N 0.804 109.610 108.800 0.011 0.000 2.418 271 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 271 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 271 G C 1.723 176.652 174.900 0.049 0.000 1.158 271 G CA 1.211 46.372 45.100 0.102 0.000 0.771 271 G HN 0.375 nan 8.290 nan 0.000 0.545 272 A N 0.916 123.744 122.820 0.014 0.000 1.883 272 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 272 A C 2.311 179.889 177.584 -0.009 0.000 1.186 272 A CA 2.060 54.103 52.037 0.011 0.000 0.624 272 A CB -0.396 18.608 19.000 0.006 0.000 0.822 272 A HN 0.388 nan 8.150 nan 0.000 0.444 273 K N -0.401 119.987 120.400 -0.019 0.000 2.057 273 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 273 K C 2.358 178.902 176.600 -0.093 0.000 1.049 273 K CA 1.090 57.347 56.287 -0.051 0.000 0.931 273 K CB -0.370 32.114 32.500 -0.026 0.000 0.714 273 K HN 0.451 nan 8.250 nan 0.000 0.440 274 A N 1.713 124.500 122.820 -0.055 0.000 1.865 274 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 274 A C 2.172 179.717 177.584 -0.065 0.000 1.191 274 A CA 1.471 53.472 52.037 -0.061 0.000 0.623 274 A CB -0.798 18.195 19.000 -0.012 0.000 0.826 274 A HN 0.161 nan 8.150 nan 0.000 0.444 275 L N -0.855 120.349 121.223 -0.032 0.000 1.994 275 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 275 L C 3.131 179.971 176.870 -0.049 0.000 1.071 275 L CA 1.189 56.012 54.840 -0.027 0.000 0.745 275 L CB -0.762 41.298 42.059 0.002 0.000 0.892 275 L HN 0.436 nan 8.230 nan 0.000 0.431 276 A N 0.230 123.016 122.820 -0.058 0.000 1.948 276 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 276 A C 2.193 179.707 177.584 -0.117 0.000 1.177 276 A CA 1.679 53.672 52.037 -0.073 0.000 0.636 276 A CB -0.831 18.126 19.000 -0.071 0.000 0.815 276 A HN 0.436 nan 8.150 nan 0.000 0.449 277 L N -2.015 119.103 121.223 -0.174 0.000 2.552 277 L HA 0.143 4.483 4.340 -0.000 0.000 0.227 277 L C 1.625 178.413 176.870 -0.136 0.000 1.146 277 L CA 0.676 55.383 54.840 -0.222 0.000 0.858 277 L CB -0.200 41.655 42.059 -0.339 0.000 0.969 277 L HN 0.637 nan 8.230 nan 0.000 0.451 278 G N -0.877 107.866 108.800 -0.095 0.000 2.321 278 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.174 278 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.174 278 G C 0.148 175.018 174.900 -0.050 0.000 1.008 278 G CA -0.201 44.859 45.100 -0.066 0.000 0.739 278 G HN 0.350 nan 8.290 nan 0.000 0.502 279 A N -0.138 122.652 122.820 -0.051 0.000 2.271 279 A HA 0.730 5.050 4.320 -0.000 0.000 0.288 279 A C 0.772 178.338 177.584 -0.030 0.000 1.094 279 A CA 0.409 52.422 52.037 -0.040 0.000 0.828 279 A CB 0.745 19.718 19.000 -0.045 0.000 1.091 279 A HN 0.049 nan 8.150 nan 0.000 0.493 280 D N -0.943 119.434 120.400 -0.038 0.000 2.482 280 D HA 0.194 4.834 4.640 -0.000 0.000 0.251 280 D C -0.222 176.026 176.300 -0.085 0.000 1.073 280 D CA 0.566 54.545 54.000 -0.035 0.000 0.892 280 D CB 0.414 41.211 40.800 -0.006 0.000 1.202 280 D HN 0.215 nan 8.370 nan 0.000 0.496 281 L N 1.466 122.598 121.223 -0.151 0.000 2.371 281 L HA 0.410 4.750 4.340 -0.000 0.000 0.262 281 L C -0.755 176.019 176.870 -0.160 0.000 1.006 281 L CA -0.679 54.028 54.840 -0.221 0.000 0.818 281 L CB 2.484 44.239 42.059 -0.508 0.000 1.354 281 L HN -0.170 nan 8.230 nan 0.000 0.415 282 L N 1.385 122.523 121.223 -0.142 0.000 2.334 282 L HA 0.837 5.177 4.340 -0.000 0.000 0.273 282 L C 0.127 176.764 176.870 -0.387 0.000 1.013 282 L CA -0.637 54.122 54.840 -0.134 0.000 0.816 282 L CB 1.451 43.548 42.059 0.063 0.000 1.278 282 L HN 0.746 nan 8.230 nan 0.000 0.431 283 A N 2.490 125.104 122.820 -0.345 0.000 2.398 283 A HA 0.814 5.134 4.320 -0.000 0.000 0.301 283 A C -1.242 176.149 177.584 -0.322 0.000 1.041 283 A CA -0.464 51.292 52.037 -0.469 0.000 0.711 283 A CB 1.746 20.581 19.000 -0.274 0.000 1.240 283 A HN 0.358 nan 8.150 nan 0.000 0.420 284 V N 1.640 121.297 119.914 -0.428 0.000 2.540 284 V HA 0.716 4.836 4.120 -0.000 0.000 0.302 284 V C 0.703 176.697 176.094 -0.167 0.000 1.035 284 V CA 0.327 62.531 62.300 -0.160 0.000 0.873 284 V CB 1.147 32.904 31.823 -0.109 0.000 0.992 284 V HN 1.318 nan 8.190 nan 0.000 0.428 285 A N 4.249 127.019 122.820 -0.083 0.000 2.084 285 A HA 0.301 4.621 4.320 -0.000 0.000 0.211 285 A C 1.854 179.344 177.584 -0.158 0.000 2.280 285 A CA 0.533 52.515 52.037 -0.092 0.000 1.128 285 A CB -0.386 18.623 19.000 0.015 0.000 1.248 285 A HN 0.707 nan 8.150 nan 0.000 0.624 286 R N 0.342 120.784 120.500 -0.098 0.000 2.134 286 R HA -0.152 4.188 4.340 -0.000 0.000 0.248 286 R C -1.035 175.079 176.300 -0.311 0.000 1.143 286 R CA 2.501 58.505 56.100 -0.161 0.000 0.957 286 R CB -1.312 28.920 30.300 -0.113 0.000 0.867 286 R HN 0.356 nan 8.270 nan 0.000 0.441 287 P HA -0.158 nan 4.420 nan 0.000 0.220 287 P C 0.550 177.426 177.300 -0.707 0.000 1.144 287 P CA 0.953 63.718 63.100 -0.557 0.000 0.800 287 P CB 0.103 31.420 31.700 -0.638 0.000 0.772 288 L N -1.988 118.833 121.223 -0.670 0.000 2.529 288 L HA 0.070 4.410 4.340 -0.000 0.000 0.223 288 L C 1.949 178.631 176.870 -0.313 0.000 1.113 288 L CA 0.695 55.176 54.840 -0.598 0.000 0.861 288 L CB -1.549 40.229 42.059 -0.469 0.000 1.012 288 L HN 0.056 nan 8.230 nan 0.000 0.461 289 L N 0.470 121.548 121.223 -0.242 0.000 2.042 289 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 289 L C 2.747 179.547 176.870 -0.118 0.000 1.076 289 L CA 1.860 56.614 54.840 -0.144 0.000 0.749 289 L CB -0.584 41.406 42.059 -0.114 0.000 0.893 289 L HN 0.194 nan 8.230 nan 0.000 0.432 290 R N -0.163 120.261 120.500 -0.127 0.000 2.062 290 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 290 R C -0.529 175.734 176.300 -0.062 0.000 1.128 290 R CA 1.388 57.441 56.100 -0.078 0.000 0.960 290 R CB -1.345 28.920 30.300 -0.059 0.000 0.855 290 R HN 0.378 nan 8.270 nan 0.000 0.432 291 P HA -0.080 nan 4.420 nan 0.000 0.222 291 P C 0.810 178.086 177.300 -0.041 0.000 1.147 291 P CA 1.525 64.605 63.100 -0.034 0.000 0.790 291 P CB -0.036 31.651 31.700 -0.021 0.000 0.780 292 A N 0.232 123.009 122.820 -0.071 0.000 1.969 292 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 292 A C 2.336 179.900 177.584 -0.033 0.000 1.169 292 A CA 0.958 52.964 52.037 -0.053 0.000 0.635 292 A CB -1.408 17.552 19.000 -0.067 0.000 0.810 292 A HN 0.134 nan 8.150 nan 0.000 0.445 293 L N -0.725 120.478 121.223 -0.034 0.000 2.291 293 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 293 L C 2.066 178.928 176.870 -0.013 0.000 1.120 293 L CA 1.093 55.920 54.840 -0.022 0.000 0.799 293 L CB -0.439 41.607 42.059 -0.023 0.000 0.925 293 L HN 0.506 nan 8.230 nan 0.000 0.446 294 E N -0.233 119.960 120.200 -0.010 0.000 2.400 294 E HA 0.214 4.564 4.350 -0.000 0.000 0.195 294 E C 0.749 177.350 176.600 0.001 0.000 1.012 294 E CA 0.370 56.770 56.400 -0.001 0.000 0.875 294 E CB 0.468 30.172 29.700 0.006 0.000 0.859 294 E HN 0.426 nan 8.360 nan 0.000 0.498 295 G N 0.226 109.025 108.800 -0.002 0.000 2.428 295 G HA2 0.033 3.993 3.960 -0.000 0.000 0.681 295 G HA3 0.033 3.993 3.960 -0.000 0.000 0.681 295 G C 0.402 175.304 174.900 0.003 0.000 1.340 295 G CA -0.535 44.565 45.100 -0.000 0.000 0.915 295 G HN 0.076 nan 8.290 nan 0.000 0.645 296 A N -0.094 122.728 122.820 0.002 0.000 1.917 296 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 296 A C 2.139 179.730 177.584 0.012 0.000 1.182 296 A CA 2.547 54.587 52.037 0.004 0.000 0.633 296 A CB -0.437 18.564 19.000 0.003 0.000 0.819 296 A HN 1.069 nan 8.150 nan 0.000 0.448 297 E N -0.076 120.131 120.200 0.012 0.000 2.058 297 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 297 E C 2.229 178.846 176.600 0.029 0.000 0.997 297 E CA 1.769 58.179 56.400 0.016 0.000 0.801 297 E CB -0.223 29.485 29.700 0.013 0.000 0.746 297 E HN 0.430 nan 8.360 nan 0.000 0.450 298 R N 0.421 120.941 120.500 0.033 0.000 2.081 298 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 298 R C 2.456 178.808 176.300 0.087 0.000 1.131 298 R CA 1.481 57.614 56.100 0.056 0.000 0.960 298 R CB -0.866 29.461 30.300 0.044 0.000 0.856 298 R HN 0.111 nan 8.270 nan 0.000 0.436 299 V N 0.686 120.632 119.914 0.053 0.000 2.343 299 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 299 V C 2.336 178.483 176.094 0.088 0.000 1.051 299 V CA 1.950 64.281 62.300 0.052 0.000 1.036 299 V CB -0.964 30.858 31.823 -0.000 0.000 0.654 299 V HN 0.521 nan 8.190 nan 0.000 0.451 300 A N -0.125 122.726 122.820 0.052 0.000 1.933 300 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 300 A C 2.412 180.025 177.584 0.048 0.000 1.175 300 A CA 1.984 54.041 52.037 0.033 0.000 0.628 300 A CB -0.673 18.336 19.000 0.014 0.000 0.814 300 A HN 0.564 nan 8.150 nan 0.000 0.444 301 A N -1.391 121.470 122.820 0.069 0.000 1.877 301 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 301 A C 1.986 179.619 177.584 0.082 0.000 1.186 301 A CA 1.452 53.522 52.037 0.055 0.000 0.620 301 A CB -0.960 18.073 19.000 0.054 0.000 0.822 301 A HN 0.801 nan 8.150 nan 0.000 0.443 302 W N 0.624 121.905 121.300 -0.032 0.000 2.311 302 W HA -0.233 4.427 4.660 -0.000 0.000 0.326 302 W C 1.968 178.464 176.519 -0.039 0.000 1.239 302 W CA 2.362 59.697 57.345 -0.017 0.000 1.258 302 W CB -0.291 29.161 29.460 -0.014 0.000 1.165 302 W HN 0.309 nan 8.180 nan 0.000 0.466 303 I N 0.538 121.348 120.570 0.400 0.000 2.264 303 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 303 I C 2.620 178.674 176.117 -0.104 0.000 1.111 303 I CA 1.482 62.810 61.300 0.046 0.000 1.382 303 I CB -1.398 36.453 38.000 -0.248 0.000 1.060 303 I HN 0.234 nan 8.210 nan 0.000 0.418 304 G N 0.603 109.371 108.800 -0.054 0.000 2.446 304 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.217 304 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.217 304 G C 1.280 176.140 174.900 -0.066 0.000 1.168 304 G CA 1.422 46.485 45.100 -0.062 0.000 0.771 304 G HN 0.381 nan 8.290 nan 0.000 0.551 305 D N -1.310 119.034 120.400 -0.094 0.000 2.178 305 D HA -0.146 4.494 4.640 -0.000 0.000 0.201 305 D C 1.963 178.181 176.300 -0.138 0.000 0.980 305 D CA 0.721 54.639 54.000 -0.136 0.000 0.842 305 D CB -0.234 40.441 40.800 -0.209 0.000 0.948 305 D HN 0.442 nan 8.370 nan 0.000 0.472 306 Y N 0.317 120.428 120.300 -0.316 0.000 2.200 306 Y HA -0.090 4.460 4.550 -0.000 0.000 0.290 306 Y C 1.857 177.686 175.900 -0.119 0.000 1.137 306 Y CA 1.280 59.225 58.100 -0.258 0.000 1.163 306 Y CB 0.016 38.341 38.460 -0.224 0.000 0.988 306 Y HN -0.010 nan 8.280 nan 0.000 0.518 307 L N 0.059 121.385 121.223 0.172 0.000 2.217 307 L HA -0.139 4.201 4.340 -0.000 0.000 0.211 307 L C 2.439 179.327 176.870 0.030 0.000 1.107 307 L CA 1.326 56.239 54.840 0.121 0.000 0.783 307 L CB -0.514 41.561 42.059 0.025 0.000 0.919 307 L HN 0.296 nan 8.230 nan 0.000 0.442 308 E N 0.951 121.141 120.200 -0.017 0.000 2.110 308 E HA -0.261 4.089 4.350 -0.000 0.000 0.193 308 E C 1.937 178.510 176.600 -0.044 0.000 0.988 308 E CA 1.618 57.996 56.400 -0.038 0.000 0.804 308 E CB 0.196 29.862 29.700 -0.056 0.000 0.745 308 E HN 0.699 nan 8.360 nan 0.000 0.458 309 E N 0.223 120.379 120.200 -0.073 0.000 2.170 309 E HA -0.140 4.210 4.350 -0.000 0.000 0.191 309 E C 2.274 178.834 176.600 -0.066 0.000 0.981 309 E CA 0.368 56.716 56.400 -0.087 0.000 0.830 309 E CB -0.384 29.227 29.700 -0.149 0.000 0.775 309 E HN 0.185 nan 8.360 nan 0.000 0.470 310 L N 1.971 123.156 121.223 -0.064 0.000 2.042 310 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 310 L C 2.608 179.501 176.870 0.038 0.000 1.076 310 L CA 1.965 56.800 54.840 -0.010 0.000 0.749 310 L CB -0.526 41.584 42.059 0.084 0.000 0.893 310 L HN 0.099 nan 8.230 nan 0.000 0.432 311 R N -1.149 119.375 120.500 0.040 0.000 2.070 311 R HA -0.166 4.174 4.340 -0.000 0.000 0.233 311 R C 2.069 178.426 176.300 0.094 0.000 1.137 311 R CA 2.170 58.302 56.100 0.055 0.000 0.945 311 R CB -0.623 29.689 30.300 0.019 0.000 0.845 311 R HN 0.425 nan 8.270 nan 0.000 0.430 312 T N 0.753 115.349 114.554 0.069 0.000 2.759 312 T HA -0.150 4.200 4.350 -0.000 0.000 0.269 312 T C 1.772 176.590 174.700 0.197 0.000 1.042 312 T CA 1.400 63.586 62.100 0.144 0.000 1.140 312 T CB -0.306 68.605 68.868 0.073 0.000 0.864 312 T HN 0.503 nan 8.240 nan 0.000 0.455 313 A N 1.231 124.110 122.820 0.099 0.000 1.877 313 A HA 0.023 4.343 4.320 -0.000 0.000 0.216 313 A C 2.303 179.944 177.584 0.095 0.000 1.186 313 A CA 1.186 53.268 52.037 0.076 0.000 0.620 313 A CB -0.866 18.146 19.000 0.021 0.000 0.822 313 A HN 0.472 nan 8.150 nan 0.000 0.443 314 L N -1.825 119.458 121.223 0.100 0.000 2.083 314 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 314 L C 2.486 179.432 176.870 0.126 0.000 1.083 314 L CA 1.567 56.463 54.840 0.094 0.000 0.752 314 L CB -0.554 41.560 42.059 0.092 0.000 0.899 314 L HN 0.531 nan 8.230 nan 0.000 0.433 315 F N 1.092 121.058 119.950 0.027 0.000 2.075 315 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 315 F C 2.420 178.248 175.800 0.047 0.000 1.113 315 F CA 1.396 59.413 58.000 0.030 0.000 1.218 315 F CB -0.439 38.578 39.000 0.028 0.000 0.984 315 F HN -0.013 nan 8.300 nan 0.000 0.472 316 A N 0.342 123.106 122.820 -0.093 0.000 2.015 316 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 316 A C 2.166 179.712 177.584 -0.063 0.000 1.163 316 A CA 1.457 53.441 52.037 -0.088 0.000 0.646 316 A CB -0.975 18.146 19.000 0.202 0.000 0.806 316 A HN 0.425 nan 8.150 nan 0.000 0.448 317 I N -1.131 119.423 120.570 -0.026 0.000 2.546 317 I HA -0.024 4.146 4.170 -0.000 0.000 0.255 317 I C 1.871 177.937 176.117 -0.085 0.000 1.163 317 I CA 1.632 62.917 61.300 -0.025 0.000 1.457 317 I CB -1.222 36.783 38.000 0.009 0.000 1.092 317 I HN 0.557 nan 8.210 nan 0.000 0.434 318 G N 0.614 109.343 108.800 -0.119 0.000 2.138 318 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.193 318 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.193 318 G C 0.380 175.254 174.900 -0.043 0.000 0.998 318 G CA 0.088 45.117 45.100 -0.117 0.000 0.668 318 G HN 0.680 nan 8.290 nan 0.000 0.516 319 A N -0.454 122.362 122.820 -0.007 0.000 2.292 319 A HA 0.850 5.170 4.320 -0.000 0.000 0.319 319 A C 0.960 178.575 177.584 0.052 0.000 1.206 319 A CA -0.273 51.776 52.037 0.021 0.000 0.835 319 A CB 0.807 19.821 19.000 0.024 0.000 1.164 319 A HN 0.223 nan 8.150 nan 0.000 0.505 320 R N 0.645 121.174 120.500 0.048 0.000 2.276 320 R HA 0.105 4.445 4.340 -0.000 0.000 0.196 320 R C -0.372 175.962 176.300 0.057 0.000 0.961 320 R CA 1.061 57.198 56.100 0.061 0.000 1.024 320 R CB -0.069 30.260 30.300 0.049 0.000 0.940 320 R HN 0.961 nan 8.270 nan 0.000 0.480 321 N N -4.412 114.318 118.700 0.050 0.000 2.961 321 N HA 0.201 4.941 4.740 -0.000 0.000 0.245 321 N C -2.742 172.795 175.510 0.045 0.000 1.404 321 N CA -1.516 51.564 53.050 0.049 0.000 0.880 321 N CB 1.015 39.529 38.487 0.044 0.000 1.461 321 N HN -0.397 nan 8.380 nan 0.000 0.510 322 P HA -0.228 nan 4.420 nan 0.000 0.218 322 P C 0.727 178.045 177.300 0.030 0.000 1.147 322 P CA 1.408 64.533 63.100 0.041 0.000 0.827 322 P CB 0.212 31.938 31.700 0.044 0.000 0.778 323 K N -0.152 120.267 120.400 0.032 0.000 2.031 323 K HA -0.075 4.245 4.320 -0.000 0.000 0.205 323 K C 1.740 178.352 176.600 0.020 0.000 1.049 323 K CA 1.230 57.533 56.287 0.027 0.000 0.939 323 K CB -0.581 31.938 32.500 0.033 0.000 0.717 323 K HN 0.355 nan 8.250 nan 0.000 0.438 324 E N 0.711 120.924 120.200 0.021 0.000 2.515 324 E HA -0.076 4.274 4.350 -0.000 0.000 0.201 324 E C 1.578 178.182 176.600 0.008 0.000 1.071 324 E CA 0.384 56.793 56.400 0.014 0.000 0.880 324 E CB -0.002 29.707 29.700 0.016 0.000 0.828 324 E HN 0.233 nan 8.360 nan 0.000 0.540 325 A N 1.732 124.558 122.820 0.010 0.000 2.016 325 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 325 A C 1.511 179.089 177.584 -0.010 0.000 1.162 325 A CA 0.064 52.103 52.037 0.003 0.000 0.662 325 A CB -0.176 18.829 19.000 0.009 0.000 0.812 325 A HN 0.043 nan 8.150 nan 0.000 0.450 326 R N 0.121 120.615 120.500 -0.011 0.000 2.485 326 R HA 0.233 4.573 4.340 -0.000 0.000 0.304 326 R C 1.210 177.497 176.300 -0.023 0.000 0.934 326 R CA 1.199 57.285 56.100 -0.022 0.000 1.102 326 R CB -0.742 29.549 30.300 -0.015 0.000 0.906 326 R HN 1.019 nan 8.270 nan 0.000 0.407 327 G N 4.353 113.132 108.800 -0.035 0.000 2.234 327 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 327 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 327 G C 0.453 175.343 174.900 -0.016 0.000 0.987 327 G CA 0.391 45.475 45.100 -0.026 0.000 0.625 327 G HN 0.632 nan 8.290 nan 0.000 0.532 328 R N 0.140 120.631 120.500 -0.016 0.000 3.385 328 R HA 0.427 4.767 4.340 -0.000 0.000 0.236 328 R C 0.045 176.348 176.300 0.005 0.000 1.663 328 R CA 0.662 56.759 56.100 -0.006 0.000 1.444 328 R CB 0.108 30.404 30.300 -0.007 0.000 1.218 328 R HN 0.445 nan 8.270 nan 0.000 0.575 329 V N 0.408 120.326 119.914 0.007 0.000 3.114 329 V HA 0.336 4.456 4.120 -0.000 0.000 0.308 329 V C -1.336 174.809 176.094 0.085 0.000 1.168 329 V CA -0.860 61.463 62.300 0.037 0.000 1.015 329 V CB 2.704 34.521 31.823 -0.011 0.000 1.050 329 V HN 0.474 nan 8.190 nan 0.000 0.433 330 E N 4.192 124.483 120.200 0.151 0.000 2.393 330 E HA 0.546 4.896 4.350 -0.000 0.000 0.273 330 E C -1.004 175.746 176.600 0.251 0.000 0.918 330 E CA -1.101 55.403 56.400 0.174 0.000 0.773 330 E CB 2.242 31.996 29.700 0.090 0.000 1.275 330 E HN 0.684 nan 8.360 nan 0.000 0.451 331 R N 1.802 122.408 120.500 0.176 0.000 2.389 331 R HA 0.265 4.605 4.340 -0.000 0.000 0.295 331 R C -0.230 176.009 176.300 -0.102 0.000 1.075 331 R CA -0.401 55.652 56.100 -0.078 0.000 1.005 331 R CB 0.846 31.064 30.300 -0.138 0.000 0.987 331 R HN 0.465 nan 8.270 nan 0.000 0.452 332 V N 0.000 119.809 119.914 -0.174 0.000 2.409 332 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 332 V CA 0.000 62.236 62.300 -0.108 0.000 1.235 332 V CB 0.000 31.757 31.823 -0.110 0.000 1.184 332 V HN 0.000 nan 8.190 nan 0.000 0.556