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 2h0g_1_A DATA FIRST_RESID 2 DATA SEQUENCE ELPAPVKAIE KQGITIIKTF DAPGGMKGYL GKYQDMGVTI YLTPDGKHAI DATA SEQUENCE SGYMYNEKGE NLSNTLIEKE IYAPAGREMW QRMEQSHWLL DGKKDAPVIV DATA SEQUENCE YVFADPFCPY CKQFWQQARP WVDSGKVQLR TLLVGVIKPE SPATAAAILA DATA SEQUENCE SKDPAKTWQQ YEASGGKLKL NVPANVSTEQ MKVLSDNEKL MDDLGANVMP DATA SEQUENCE AIYYMSKENT LQQAVGLPDQ KTLNIIMGN 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 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.611 176.600 0.017 0.000 1.382 2 E CA 0.000 56.407 56.400 0.012 0.000 0.976 2 E CB 0.000 29.701 29.700 0.001 0.000 0.812 3 L N 2.751 123.981 121.223 0.012 0.000 2.490 3 L HA 0.364 4.704 4.340 -0.001 0.000 0.274 3 L C -2.032 174.813 176.870 -0.042 0.000 1.201 3 L CA -0.693 54.144 54.840 -0.005 0.000 0.869 3 L CB 0.188 42.225 42.059 -0.038 0.000 1.123 3 L HN 0.478 nan 8.230 nan 0.000 0.484 4 P HA 0.079 nan 4.420 nan 0.000 0.268 4 P C 0.069 177.306 177.300 -0.106 0.000 1.204 4 P CA 0.191 63.247 63.100 -0.073 0.000 0.768 4 P CB 0.820 32.475 31.700 -0.075 0.000 0.842 5 A N 6.170 128.940 122.820 -0.084 0.000 1.927 5 A HA -0.182 4.138 4.320 -0.001 0.000 0.220 5 A C -0.408 177.110 177.584 -0.109 0.000 1.185 5 A CA 1.991 53.975 52.037 -0.088 0.000 0.639 5 A CB -2.409 16.545 19.000 -0.077 0.000 0.820 5 A HN 0.498 nan 8.150 nan 0.000 0.451 6 P HA -0.098 nan 4.420 nan 0.000 0.215 6 P C 1.525 178.736 177.300 -0.148 0.000 1.153 6 P CA 1.429 64.451 63.100 -0.130 0.000 0.853 6 P CB -0.124 31.502 31.700 -0.123 0.000 0.788 7 V N -0.176 119.608 119.914 -0.216 0.000 2.667 7 V HA -0.173 3.946 4.120 -0.001 0.000 0.252 7 V C 2.374 178.343 176.094 -0.209 0.000 1.065 7 V CA 1.624 63.742 62.300 -0.304 0.000 1.083 7 V CB -0.986 30.473 31.823 -0.606 0.000 0.692 7 V HN 0.078 nan 8.190 nan 0.000 0.468 8 K N 1.290 121.596 120.400 -0.156 0.000 2.217 8 K HA 0.034 4.353 4.320 -0.001 0.000 0.202 8 K C 2.000 178.552 176.600 -0.079 0.000 1.051 8 K CA 1.360 57.585 56.287 -0.102 0.000 0.952 8 K CB -0.422 32.031 32.500 -0.079 0.000 0.736 8 K HN 0.386 nan 8.250 nan 0.000 0.453 9 A N 0.260 123.029 122.820 -0.084 0.000 2.014 9 A HA 0.015 4.335 4.320 -0.001 0.000 0.218 9 A C 2.023 179.570 177.584 -0.061 0.000 1.163 9 A CA 1.090 53.088 52.037 -0.065 0.000 0.652 9 A CB -0.449 18.511 19.000 -0.066 0.000 0.808 9 A HN 0.320 nan 8.150 nan 0.000 0.449 10 I N -1.032 119.492 120.570 -0.077 0.000 2.500 10 I HA -0.143 4.027 4.170 -0.001 0.000 0.252 10 I C 2.392 178.477 176.117 -0.054 0.000 1.142 10 I CA 1.119 62.378 61.300 -0.069 0.000 1.451 10 I CB -0.194 37.755 38.000 -0.086 0.000 1.093 10 I HN 0.425 nan 8.210 nan 0.000 0.430 11 E N 1.444 121.609 120.200 -0.058 0.000 2.153 11 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 11 E C 1.911 178.503 176.600 -0.012 0.000 0.988 11 E CA 1.061 57.442 56.400 -0.032 0.000 0.811 11 E CB 0.186 29.861 29.700 -0.042 0.000 0.746 11 E HN 0.377 nan 8.360 nan 0.000 0.466 12 K N -0.045 120.342 120.400 -0.022 0.000 2.366 12 K HA -0.012 4.307 4.320 -0.001 0.000 0.198 12 K C 1.392 177.989 176.600 -0.005 0.000 1.044 12 K CA 0.399 56.680 56.287 -0.011 0.000 0.973 12 K CB 0.256 32.744 32.500 -0.019 0.000 0.767 12 K HN 0.086 nan 8.250 nan 0.000 0.475 13 Q N -0.044 119.746 119.800 -0.017 0.000 2.253 13 Q HA 0.049 4.389 4.340 -0.001 0.000 0.210 13 Q C 0.415 176.414 176.000 -0.002 0.000 0.907 13 Q CA 0.450 56.237 55.803 -0.028 0.000 0.948 13 Q CB 0.883 29.583 28.738 -0.064 0.000 1.033 13 Q HN 0.521 nan 8.270 nan 0.000 0.471 14 G N 1.001 109.835 108.800 0.056 0.000 2.130 14 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.216 14 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.216 14 G C -0.081 174.946 174.900 0.212 0.000 0.999 14 G CA -0.333 44.863 45.100 0.160 0.000 0.686 14 G HN 0.301 nan 8.290 nan 0.000 0.515 15 I N 0.791 121.426 120.570 0.108 0.000 2.525 15 I HA 0.609 4.779 4.170 -0.001 0.000 0.301 15 I C 0.248 176.399 176.117 0.057 0.000 0.992 15 I CA -0.535 60.826 61.300 0.101 0.000 1.162 15 I CB 2.241 40.273 38.000 0.052 0.000 1.332 15 I HN 0.005 nan 8.210 nan 0.000 0.458 16 T N 6.184 120.769 114.554 0.052 0.000 2.791 16 T HA 0.509 4.859 4.350 -0.001 0.000 0.288 16 T C -0.192 174.527 174.700 0.031 0.000 0.999 16 T CA -0.355 61.764 62.100 0.032 0.000 0.952 16 T CB 0.459 69.340 68.868 0.023 0.000 0.938 16 T HN 0.100 nan 8.240 nan 0.000 0.444 17 I N 3.556 124.148 120.570 0.036 0.000 2.634 17 I HA 0.174 4.344 4.170 -0.001 0.000 0.284 17 I C 1.273 177.416 176.117 0.043 0.000 1.124 17 I CA 0.360 61.695 61.300 0.058 0.000 1.417 17 I CB 0.531 38.589 38.000 0.097 0.000 1.396 17 I HN 0.703 nan 8.210 nan 0.000 0.571 18 I N 4.679 125.272 120.570 0.038 0.000 2.899 18 I HA 0.091 4.261 4.170 -0.001 0.000 0.257 18 I C 0.681 176.810 176.117 0.020 0.000 1.115 18 I CA 0.383 61.692 61.300 0.014 0.000 1.451 18 I CB -0.007 37.985 38.000 -0.012 0.000 1.251 18 I HN 0.639 nan 8.210 nan 0.000 0.456 19 K N 0.177 120.597 120.400 0.033 0.000 2.614 19 K HA 0.403 4.723 4.320 -0.001 0.000 0.293 19 K C -0.989 175.612 176.600 0.002 0.000 1.045 19 K CA -0.796 55.500 56.287 0.016 0.000 0.880 19 K CB 1.529 34.030 32.500 0.002 0.000 1.552 19 K HN -0.029 nan 8.250 nan 0.000 0.404 20 T N -1.118 113.381 114.554 -0.093 0.000 2.918 20 T HA 0.773 5.122 4.350 -0.001 0.000 0.286 20 T C -0.338 174.325 174.700 -0.062 0.000 1.026 20 T CA -0.705 61.217 62.100 -0.297 0.000 1.031 20 T CB 0.501 69.045 68.868 -0.540 0.000 1.046 20 T HN 0.585 nan 8.240 nan 0.000 0.479 21 F N -1.462 118.325 119.950 -0.272 0.000 2.685 21 F HA 0.673 5.200 4.527 -0.001 0.000 0.315 21 F C -1.235 174.491 175.800 -0.124 0.000 1.126 21 F CA -1.378 56.528 58.000 -0.157 0.000 0.950 21 F CB 0.942 39.874 39.000 -0.113 0.000 1.360 21 F HN 0.365 nan 8.300 nan 0.000 0.469 22 D N 1.906 122.334 120.400 0.047 0.000 2.312 22 D HA 0.493 5.132 4.640 -0.001 0.000 0.252 22 D C -0.479 175.854 176.300 0.054 0.000 1.150 22 D CA 0.305 54.290 54.000 -0.025 0.000 0.870 22 D CB 1.783 42.605 40.800 0.037 0.000 1.153 22 D HN 0.859 nan 8.370 nan 0.000 0.457 23 A N 3.896 126.686 122.820 -0.049 0.000 2.356 23 A HA 0.682 5.001 4.320 -0.001 0.000 0.323 23 A C -2.419 175.204 177.584 0.065 0.000 1.119 23 A CA -1.305 50.792 52.037 0.099 0.000 0.790 23 A CB 1.347 20.444 19.000 0.161 0.000 1.273 23 A HN 0.318 nan 8.150 nan 0.000 0.452 24 P HA 0.332 nan 4.420 nan 0.000 0.272 24 P C 0.770 178.079 177.300 0.015 0.000 1.240 24 P CA 1.230 64.350 63.100 0.034 0.000 0.791 24 P CB 0.739 32.457 31.700 0.029 0.000 0.978 25 G N -0.341 108.465 108.800 0.010 0.000 2.159 25 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.256 25 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.256 25 G C 0.767 175.672 174.900 0.008 0.000 0.977 25 G CA 0.356 45.459 45.100 0.005 0.000 0.652 25 G HN 1.137 nan 8.290 nan 0.000 0.531 26 G N -1.280 107.526 108.800 0.009 0.000 2.132 26 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.228 26 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.228 26 G C 0.199 175.106 174.900 0.012 0.000 1.000 26 G CA 0.865 45.969 45.100 0.007 0.000 0.693 26 G HN 1.128 nan 8.290 nan 0.000 0.515 27 M N 0.036 119.646 119.600 0.017 0.000 2.404 27 M HA 0.457 4.936 4.480 -0.001 0.000 0.338 27 M C 0.447 176.741 176.300 -0.009 0.000 1.150 27 M CA -0.493 54.828 55.300 0.036 0.000 1.016 27 M CB 1.758 34.406 32.600 0.080 0.000 1.672 27 M HN -0.008 nan 8.290 nan 0.000 0.448 28 K N 1.003 121.388 120.400 -0.025 0.000 2.118 28 K HA 0.606 4.926 4.320 -0.001 0.000 0.267 28 K C -0.009 176.412 176.600 -0.298 0.000 0.991 28 K CA -0.377 55.806 56.287 -0.174 0.000 0.916 28 K CB 1.616 34.055 32.500 -0.102 0.000 1.041 28 K HN 0.899 nan 8.250 nan 0.000 0.455 29 G N 1.434 109.719 108.800 -0.857 0.000 2.432 29 G HA2 0.525 4.485 3.960 -0.001 0.000 0.331 29 G HA3 0.525 4.485 3.960 -0.001 0.000 0.331 29 G C -1.627 172.620 174.900 -1.090 0.000 1.170 29 G CA -0.369 43.882 45.100 -1.415 0.000 0.943 29 G HN 0.401 nan 8.290 nan 0.000 0.483 30 Y N 0.160 120.184 120.300 -0.461 0.000 2.346 30 Y HA 0.415 4.965 4.550 -0.001 0.000 0.332 30 Y C -0.274 175.687 175.900 0.102 0.000 0.985 30 Y CA -0.950 57.097 58.100 -0.089 0.000 1.112 30 Y CB 2.335 40.723 38.460 -0.120 0.000 1.170 30 Y HN 0.497 nan 8.280 nan 0.000 0.447 31 L N 3.673 125.060 121.223 0.272 0.000 2.276 31 L HA 0.909 5.248 4.340 -0.001 0.000 0.286 31 L C 0.069 176.971 176.870 0.054 0.000 1.061 31 L CA 0.395 55.295 54.840 0.100 0.000 0.807 31 L CB 0.400 42.447 42.059 -0.019 0.000 1.177 31 L HN 0.730 nan 8.230 nan 0.000 0.429 32 G N 3.871 112.681 108.800 0.017 0.000 2.975 32 G HA2 0.631 4.590 3.960 -0.001 0.000 0.291 32 G HA3 0.631 4.590 3.960 -0.001 0.000 0.291 32 G C -1.577 173.326 174.900 0.005 0.000 1.334 32 G CA -0.742 44.370 45.100 0.018 0.000 0.843 32 G HN 0.520 nan 8.290 nan 0.000 0.548 33 K N -1.047 119.373 120.400 0.033 0.000 2.542 33 K HA 0.391 4.710 4.320 -0.001 0.000 0.259 33 K C -2.256 174.415 176.600 0.117 0.000 0.932 33 K CA -0.732 55.586 56.287 0.052 0.000 0.820 33 K CB 2.820 35.327 32.500 0.012 0.000 1.345 33 K HN 0.508 nan 8.250 nan 0.000 0.432 34 Y N 4.289 124.596 120.300 0.012 0.000 2.447 34 Y HA 0.222 4.771 4.550 -0.001 0.000 0.325 34 Y C 0.245 176.161 175.900 0.027 0.000 0.976 34 Y CA 0.135 58.245 58.100 0.017 0.000 1.280 34 Y CB 0.204 38.677 38.460 0.021 0.000 1.104 34 Y HN 0.891 nan 8.280 nan 0.000 0.486 35 Q N 1.668 121.246 119.800 -0.370 0.000 1.659 35 Q HA -0.331 4.009 4.340 -0.001 0.000 0.347 35 Q C 0.324 176.246 176.000 -0.129 0.000 0.831 35 Q CA 1.906 57.517 55.803 -0.319 0.000 0.873 35 Q CB -0.934 27.509 28.738 -0.491 0.000 3.305 35 Q HN 0.732 nan 8.270 nan 0.000 0.659 36 D N 0.384 120.732 120.400 -0.086 0.000 2.234 36 D HA 0.025 4.665 4.640 -0.001 0.000 0.205 36 D C 0.977 177.327 176.300 0.084 0.000 0.962 36 D CA 0.649 54.657 54.000 0.012 0.000 0.855 36 D CB -0.088 40.727 40.800 0.026 0.000 0.951 36 D HN 0.249 nan 8.370 nan 0.000 0.500 37 M N 1.649 121.305 119.600 0.094 0.000 2.238 37 M HA 0.241 4.720 4.480 -0.001 0.000 0.350 37 M C 0.326 176.697 176.300 0.119 0.000 1.321 37 M CA 0.058 55.456 55.300 0.164 0.000 1.097 37 M CB 0.892 33.620 32.600 0.214 0.000 1.713 37 M HN -0.125 nan 8.290 nan 0.000 0.455 38 G N 4.307 113.159 108.800 0.087 0.000 2.403 38 G HA2 0.508 4.467 3.960 -0.001 0.000 0.259 38 G HA3 0.508 4.467 3.960 -0.001 0.000 0.259 38 G C -0.946 173.964 174.900 0.018 0.000 1.244 38 G CA -0.488 44.597 45.100 -0.025 0.000 0.849 38 G HN 0.897 nan 8.290 nan 0.000 0.532 39 V N 0.048 119.949 119.914 -0.022 0.000 2.841 39 V HA 0.914 5.034 4.120 -0.001 0.000 0.310 39 V C -0.199 175.842 176.094 -0.089 0.000 1.090 39 V CA -0.592 61.673 62.300 -0.058 0.000 0.930 39 V CB 1.801 33.614 31.823 -0.016 0.000 1.014 39 V HN 1.042 nan 8.190 nan 0.000 0.425 40 T N 2.477 116.940 114.554 -0.150 0.000 2.792 40 T HA 0.810 5.160 4.350 -0.001 0.000 0.280 40 T C -0.511 174.073 174.700 -0.193 0.000 0.990 40 T CA -0.421 61.596 62.100 -0.137 0.000 0.960 40 T CB 1.131 69.952 68.868 -0.079 0.000 0.939 40 T HN 0.740 nan 8.240 nan 0.000 0.439 41 I N 2.829 123.253 120.570 -0.244 0.000 2.493 41 I HA 0.456 4.626 4.170 -0.001 0.000 0.298 41 I C -1.112 174.768 176.117 -0.394 0.000 0.998 41 I CA -1.314 59.871 61.300 -0.191 0.000 1.137 41 I CB 1.720 39.654 38.000 -0.111 0.000 1.310 41 I HN 0.651 nan 8.210 nan 0.000 0.445 42 Y N 5.589 125.917 120.300 0.046 0.000 2.326 42 Y HA 0.422 4.972 4.550 -0.001 0.000 0.329 42 Y C -0.379 175.538 175.900 0.029 0.000 0.973 42 Y CA -0.822 57.298 58.100 0.033 0.000 1.162 42 Y CB 1.719 40.192 38.460 0.023 0.000 1.147 42 Y HN 0.349 nan 8.280 nan 0.000 0.456 43 L N 4.802 126.121 121.223 0.159 0.000 2.319 43 L HA 0.380 4.720 4.340 -0.001 0.000 0.280 43 L C 0.576 177.513 176.870 0.112 0.000 1.099 43 L CA -0.018 54.887 54.840 0.108 0.000 0.828 43 L CB 0.510 42.647 42.059 0.131 0.000 1.150 43 L HN 0.769 nan 8.230 nan 0.000 0.442 44 T N 2.753 117.369 114.554 0.102 0.000 2.860 44 T HA 0.266 4.616 4.350 -0.001 0.000 0.299 44 T C -1.751 172.990 174.700 0.069 0.000 1.045 44 T CA -1.124 61.027 62.100 0.085 0.000 1.071 44 T CB 0.519 69.442 68.868 0.093 0.000 0.985 44 T HN 0.548 nan 8.240 nan 0.000 0.537 45 P HA -0.185 nan 4.420 nan 0.000 0.216 45 P C 1.440 178.765 177.300 0.042 0.000 1.157 45 P CA 1.485 64.607 63.100 0.036 0.000 0.880 45 P CB -0.125 31.588 31.700 0.022 0.000 0.791 46 D N -1.585 118.848 120.400 0.054 0.000 2.357 46 D HA -0.144 4.496 4.640 -0.001 0.000 0.216 46 D C 1.481 177.819 176.300 0.064 0.000 0.973 46 D CA 1.357 55.396 54.000 0.066 0.000 0.912 46 D CB -0.987 39.874 40.800 0.102 0.000 0.900 46 D HN 0.312 nan 8.370 nan 0.000 0.501 47 G N 1.290 110.128 108.800 0.063 0.000 2.175 47 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.265 47 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.265 47 G C 0.999 175.910 174.900 0.019 0.000 0.979 47 G CA 0.735 45.860 45.100 0.041 0.000 0.663 47 G HN 0.481 nan 8.290 nan 0.000 0.533 48 K N -0.804 119.625 120.400 0.048 0.000 2.360 48 K HA 0.247 4.567 4.320 -0.001 0.000 0.196 48 K C 0.462 176.917 176.600 -0.242 0.000 1.049 48 K CA 0.225 56.474 56.287 -0.063 0.000 1.049 48 K CB 0.491 32.966 32.500 -0.043 0.000 0.881 48 K HN 0.611 nan 8.250 nan 0.000 0.542 49 H N -0.830 118.233 119.070 -0.012 0.000 2.894 49 H HA 0.643 5.199 4.556 -0.001 0.000 0.368 49 H C -1.204 174.117 175.328 -0.013 0.000 1.181 49 H CA -0.939 55.101 56.048 -0.013 0.000 1.146 49 H CB 2.098 31.859 29.762 -0.002 0.000 1.839 49 H HN 0.044 nan 8.280 nan 0.000 0.557 50 A N 1.424 124.305 122.820 0.101 0.000 2.486 50 A HA 0.659 4.979 4.320 -0.001 0.000 0.300 50 A C -1.353 176.272 177.584 0.070 0.000 1.048 50 A CA -0.589 51.477 52.037 0.049 0.000 0.696 50 A CB 0.934 19.901 19.000 -0.054 0.000 1.278 50 A HN 0.593 nan 8.150 nan 0.000 0.405 51 I N 1.536 122.169 120.570 0.105 0.000 2.382 51 I HA 0.334 4.504 4.170 -0.001 0.000 0.286 51 I C 0.392 176.586 176.117 0.128 0.000 1.002 51 I CA -0.433 60.937 61.300 0.116 0.000 1.135 51 I CB 2.048 40.131 38.000 0.138 0.000 1.288 51 I HN 0.521 nan 8.210 nan 0.000 0.448 52 S N 4.683 120.418 115.700 0.057 0.000 2.416 52 S HA 0.802 5.271 4.470 -0.001 0.000 0.287 52 S C 0.087 174.699 174.600 0.019 0.000 1.139 52 S CA 0.042 58.250 58.200 0.013 0.000 1.058 52 S CB 0.171 63.357 63.200 -0.025 0.000 0.967 52 S HN 0.945 nan 8.310 nan 0.000 0.495 53 G N 3.706 112.498 108.800 -0.012 0.000 2.364 53 G HA2 0.377 4.337 3.960 -0.001 0.000 0.286 53 G HA3 0.377 4.337 3.960 -0.001 0.000 0.286 53 G C -2.260 172.477 174.900 -0.271 0.000 1.241 53 G CA -0.630 44.426 45.100 -0.073 0.000 0.887 53 G HN 0.526 nan 8.290 nan 0.000 0.484 54 Y N 0.173 120.587 120.300 0.191 0.000 2.341 54 Y HA 0.682 5.232 4.550 -0.001 0.000 0.338 54 Y C 0.578 176.524 175.900 0.077 0.000 0.965 54 Y CA -0.590 57.587 58.100 0.128 0.000 1.108 54 Y CB 2.178 40.686 38.460 0.080 0.000 1.180 54 Y HN 0.531 nan 8.280 nan 0.000 0.458 55 M N 4.306 123.944 119.600 0.063 0.000 2.144 55 M HA 0.435 4.914 4.480 -0.001 0.000 0.356 55 M C -1.880 174.366 176.300 -0.090 0.000 1.217 55 M CA -0.285 54.984 55.300 -0.052 0.000 1.087 55 M CB 0.566 33.022 32.600 -0.241 0.000 1.609 55 M HN 0.691 nan 8.290 nan 0.000 0.467 56 Y N 3.444 123.755 120.300 0.018 0.000 2.468 56 Y HA 0.425 4.974 4.550 -0.001 0.000 0.342 56 Y C 0.195 176.099 175.900 0.006 0.000 1.021 56 Y CA -0.697 57.419 58.100 0.027 0.000 1.079 56 Y CB 1.316 39.792 38.460 0.026 0.000 1.226 56 Y HN 0.743 nan 8.280 nan 0.000 0.460 57 N N -0.207 118.589 118.700 0.159 0.000 2.604 57 N HA 0.179 4.918 4.740 -0.001 0.000 0.297 57 N C 0.355 175.921 175.510 0.094 0.000 1.266 57 N CA -0.622 52.484 53.050 0.094 0.000 0.961 57 N CB 0.415 38.935 38.487 0.056 0.000 1.166 57 N HN 0.689 nan 8.380 nan 0.000 0.601 58 E N -0.521 119.713 120.200 0.057 0.000 2.219 58 E HA -0.155 4.195 4.350 -0.001 0.000 0.198 58 E C 0.630 177.256 176.600 0.043 0.000 0.998 58 E CA 1.246 57.671 56.400 0.042 0.000 0.818 58 E CB -0.037 29.680 29.700 0.028 0.000 0.741 58 E HN 0.528 nan 8.360 nan 0.000 0.477 59 K N -1.225 119.206 120.400 0.051 0.000 2.404 59 K HA 0.099 4.418 4.320 -0.001 0.000 0.194 59 K C 0.994 177.635 176.600 0.068 0.000 1.023 59 K CA 0.469 56.785 56.287 0.048 0.000 1.094 59 K CB 0.918 33.441 32.500 0.039 0.000 0.841 59 K HN 0.210 nan 8.250 nan 0.000 0.523 60 G N 2.131 110.995 108.800 0.108 0.000 2.175 60 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.244 60 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.244 60 G C -0.195 174.850 174.900 0.241 0.000 0.982 60 G CA -0.037 45.168 45.100 0.175 0.000 0.641 60 G HN 0.419 nan 8.290 nan 0.000 0.527 61 E N 0.507 120.789 120.200 0.137 0.000 2.344 61 E HA 0.207 4.557 4.350 -0.001 0.000 0.270 61 E C 0.303 176.879 176.600 -0.040 0.000 1.021 61 E CA -0.414 56.023 56.400 0.061 0.000 0.887 61 E CB 0.108 29.824 29.700 0.026 0.000 0.997 61 E HN 0.391 nan 8.360 nan 0.000 0.429 62 N N 5.260 123.855 118.700 -0.175 0.000 2.482 62 N HA 0.044 4.784 4.740 -0.001 0.000 0.242 62 N C 1.112 176.496 175.510 -0.209 0.000 1.100 62 N CA -0.318 52.434 53.050 -0.496 0.000 0.946 62 N CB 0.393 38.592 38.487 -0.480 0.000 1.227 62 N HN 0.572 nan 8.380 nan 0.000 0.508 63 L N 1.788 122.917 121.223 -0.157 0.000 2.083 63 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 63 L C 2.207 179.065 176.870 -0.021 0.000 1.083 63 L CA 0.807 55.617 54.840 -0.049 0.000 0.752 63 L CB -0.388 41.672 42.059 0.002 0.000 0.899 63 L HN 0.540 nan 8.230 nan 0.000 0.433 64 S N 0.238 115.947 115.700 0.015 0.000 2.368 64 S HA -0.184 4.285 4.470 -0.001 0.000 0.225 64 S C 1.731 176.364 174.600 0.056 0.000 1.030 64 S CA 1.822 60.064 58.200 0.070 0.000 0.999 64 S CB -0.363 62.916 63.200 0.132 0.000 0.844 64 S HN 0.529 nan 8.310 nan 0.000 0.459 65 N N 0.993 119.747 118.700 0.091 0.000 2.216 65 N HA -0.076 4.664 4.740 -0.001 0.000 0.183 65 N C 1.563 177.090 175.510 0.029 0.000 1.017 65 N CA 1.834 54.940 53.050 0.094 0.000 0.861 65 N CB -0.531 37.993 38.487 0.062 0.000 0.986 65 N HN 0.166 nan 8.380 nan 0.000 0.428 66 T N 0.823 115.370 114.554 -0.011 0.000 2.652 66 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 66 T C 1.787 176.457 174.700 -0.050 0.000 1.039 66 T CA 1.457 63.542 62.100 -0.024 0.000 1.153 66 T CB -0.496 68.352 68.868 -0.033 0.000 0.863 66 T HN 0.266 nan 8.240 nan 0.000 0.428 67 L N 0.812 121.979 121.223 -0.093 0.000 1.994 67 L HA 0.068 4.407 4.340 -0.001 0.000 0.208 67 L C 2.198 178.959 176.870 -0.182 0.000 1.071 67 L CA 1.534 56.272 54.840 -0.171 0.000 0.745 67 L CB -0.458 41.422 42.059 -0.299 0.000 0.892 67 L HN 0.242 nan 8.230 nan 0.000 0.431 68 I N -0.443 120.028 120.570 -0.166 0.000 2.761 68 I HA -0.291 3.879 4.170 -0.001 0.000 0.266 68 I C 2.120 178.063 176.117 -0.289 0.000 1.239 68 I CA 1.184 62.351 61.300 -0.222 0.000 1.451 68 I CB -0.268 37.656 38.000 -0.126 0.000 1.096 68 I HN 0.479 nan 8.210 nan 0.000 0.465 69 E N 0.649 120.796 120.200 -0.088 0.000 2.127 69 E HA -0.096 4.253 4.350 -0.001 0.000 0.191 69 E C 1.966 178.563 176.600 -0.005 0.000 0.964 69 E CA 0.437 56.876 56.400 0.065 0.000 0.832 69 E CB 0.253 30.032 29.700 0.131 0.000 0.790 69 E HN 0.425 nan 8.360 nan 0.000 0.465 70 K N 0.519 120.887 120.400 -0.054 0.000 2.365 70 K HA -0.016 4.303 4.320 -0.001 0.000 0.199 70 K C 1.435 177.986 176.600 -0.082 0.000 1.045 70 K CA 0.833 57.086 56.287 -0.057 0.000 0.962 70 K CB 0.243 32.705 32.500 -0.063 0.000 0.759 70 K HN -0.015 nan 8.250 nan 0.000 0.469 71 E N 0.236 120.356 120.200 -0.133 0.000 2.372 71 E HA 0.141 4.490 4.350 -0.001 0.000 0.201 71 E C 1.762 178.264 176.600 -0.164 0.000 0.938 71 E CA 0.540 56.853 56.400 -0.144 0.000 0.944 71 E CB 0.424 30.017 29.700 -0.178 0.000 0.937 71 E HN 0.305 nan 8.360 nan 0.000 0.495 72 I N -0.986 119.427 120.570 -0.262 0.000 3.718 72 I HA 0.011 4.181 4.170 -0.001 0.000 0.297 72 I C 1.655 177.648 176.117 -0.206 0.000 1.220 72 I CA 0.236 61.341 61.300 -0.324 0.000 1.381 72 I CB 0.330 37.975 38.000 -0.591 0.000 1.238 72 I HN -0.020 nan 8.210 nan 0.000 0.448 73 Y N 0.294 120.573 120.300 -0.035 0.000 2.265 73 Y HA 0.183 4.733 4.550 -0.001 0.000 0.290 73 Y C 2.720 178.595 175.900 -0.043 0.000 1.137 73 Y CA 0.419 58.498 58.100 -0.036 0.000 1.147 73 Y CB -0.468 37.969 38.460 -0.038 0.000 1.104 73 Y HN -0.018 nan 8.280 nan 0.000 0.514 74 A N 1.188 124.082 122.820 0.123 0.000 1.915 74 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 74 A C -0.367 177.225 177.584 0.013 0.000 1.198 74 A CA 2.410 54.466 52.037 0.031 0.000 0.647 74 A CB -2.030 16.968 19.000 -0.003 0.000 0.825 74 A HN 0.327 nan 8.150 nan 0.000 0.456 75 P HA -0.160 nan 4.420 nan 0.000 0.212 75 P C 1.714 179.025 177.300 0.019 0.000 1.178 75 P CA 2.047 65.151 63.100 0.007 0.000 0.915 75 P CB -0.293 31.403 31.700 -0.006 0.000 0.788 76 A N -0.635 122.201 122.820 0.027 0.000 2.076 76 A HA -0.030 4.290 4.320 -0.001 0.000 0.220 76 A C 1.965 179.569 177.584 0.033 0.000 1.160 76 A CA 1.760 53.815 52.037 0.029 0.000 0.653 76 A CB -1.591 17.430 19.000 0.035 0.000 0.801 76 A HN 0.349 nan 8.150 nan 0.000 0.455 77 G N -1.747 107.076 108.800 0.039 0.000 4.098 77 G HA2 0.360 4.320 3.960 -0.001 0.000 0.300 77 G HA3 0.360 4.320 3.960 -0.001 0.000 0.300 77 G C 0.913 175.859 174.900 0.077 0.000 1.187 77 G CA -0.302 44.828 45.100 0.051 0.000 0.964 77 G HN 0.353 nan 8.290 nan 0.000 0.559 78 R N -0.493 120.051 120.500 0.072 0.000 2.250 78 R HA 0.138 4.477 4.340 -0.001 0.000 0.194 78 R C 1.747 178.116 176.300 0.115 0.000 0.927 78 R CA -0.219 55.948 56.100 0.111 0.000 1.052 78 R CB 0.191 30.531 30.300 0.067 0.000 1.055 78 R HN 0.217 nan 8.270 nan 0.000 0.537 79 E N 0.783 121.021 120.200 0.063 0.000 2.110 79 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 79 E C 1.794 178.406 176.600 0.021 0.000 0.988 79 E CA 1.054 57.475 56.400 0.035 0.000 0.804 79 E CB 0.239 29.949 29.700 0.016 0.000 0.745 79 E HN 0.132 nan 8.360 nan 0.000 0.458 80 M N -0.863 118.755 119.600 0.030 0.000 2.200 80 M HA -0.144 4.335 4.480 -0.001 0.000 0.265 80 M C 2.147 178.441 176.300 -0.010 0.000 1.066 80 M CA 0.821 56.114 55.300 -0.012 0.000 1.127 80 M CB -1.042 31.549 32.600 -0.015 0.000 1.379 80 M HN 0.324 nan 8.290 nan 0.000 0.420 81 W N 1.496 122.738 121.300 -0.097 0.000 2.436 81 W HA -0.181 4.478 4.660 -0.001 0.000 0.284 81 W C 1.999 178.454 176.519 -0.107 0.000 1.225 81 W CA 1.318 58.609 57.345 -0.089 0.000 1.271 81 W CB -0.143 29.318 29.460 0.001 0.000 1.114 81 W HN 0.428 nan 8.180 nan 0.000 0.559 82 Q N 0.553 120.384 119.800 0.052 0.000 2.269 82 Q HA -0.117 4.223 4.340 -0.001 0.000 0.201 82 Q C 2.196 178.134 176.000 -0.103 0.000 0.946 82 Q CA 0.785 56.580 55.803 -0.014 0.000 0.877 82 Q CB -0.266 28.509 28.738 0.061 0.000 0.963 82 Q HN 0.174 nan 8.270 nan 0.000 0.472 83 R N -0.414 120.015 120.500 -0.119 0.000 2.153 83 R HA 0.057 4.396 4.340 -0.001 0.000 0.218 83 R C 2.193 178.361 176.300 -0.220 0.000 1.072 83 R CA 1.098 57.122 56.100 -0.127 0.000 0.990 83 R CB 0.058 30.303 30.300 -0.091 0.000 0.889 83 R HN 0.374 nan 8.270 nan 0.000 0.452 84 M N -0.075 119.268 119.600 -0.429 0.000 2.123 84 M HA -0.131 4.349 4.480 -0.001 0.000 0.263 84 M C 2.206 178.128 176.300 -0.631 0.000 1.069 84 M CA 1.246 56.091 55.300 -0.759 0.000 1.133 84 M CB -0.182 31.503 32.600 -1.526 0.000 1.356 84 M HN 0.024 nan 8.290 nan 0.000 0.415 85 E N 0.954 120.826 120.200 -0.547 0.000 2.160 85 E HA -0.245 4.104 4.350 -0.001 0.000 0.195 85 E C 1.544 178.253 176.600 0.182 0.000 0.991 85 E CA 1.577 57.949 56.400 -0.047 0.000 0.810 85 E CB -0.047 29.608 29.700 -0.074 0.000 0.742 85 E HN 0.595 nan 8.360 nan 0.000 0.466 86 Q N 0.038 119.831 119.800 -0.011 0.000 2.451 86 Q HA 0.063 4.403 4.340 -0.001 0.000 0.206 86 Q C 0.496 176.426 176.000 -0.115 0.000 0.947 86 Q CA -0.050 55.724 55.803 -0.048 0.000 0.937 86 Q CB 0.513 29.215 28.738 -0.060 0.000 1.025 86 Q HN 0.018 nan 8.270 nan 0.000 0.511 87 S N 0.045 115.710 115.700 -0.057 0.000 2.645 87 S HA 0.169 4.639 4.470 -0.001 0.000 0.266 87 S C -0.201 174.265 174.600 -0.224 0.000 1.258 87 S CA -0.594 57.557 58.200 -0.083 0.000 0.990 87 S CB 0.453 63.646 63.200 -0.011 0.000 0.967 87 S HN 0.246 nan 8.310 nan 0.000 0.556 88 H N 2.143 121.128 119.070 -0.143 0.000 3.014 88 H HA 0.104 4.660 4.556 -0.001 0.000 0.266 88 H C -0.337 174.870 175.328 -0.202 0.000 1.455 88 H CA -0.184 55.699 56.048 -0.275 0.000 1.402 88 H CB -0.168 29.479 29.762 -0.191 0.000 1.626 88 H HN 0.565 nan 8.280 nan 0.000 0.520 89 W N 3.036 124.322 121.300 -0.023 0.000 2.359 89 W HA 0.465 5.124 4.660 -0.001 0.000 0.344 89 W C -1.076 175.432 176.519 -0.019 0.000 1.170 89 W CA -1.093 56.231 57.345 -0.035 0.000 1.296 89 W CB 0.707 30.177 29.460 0.017 0.000 1.197 89 W HN 0.131 nan 8.180 nan 0.000 0.618 90 L N 3.382 124.788 121.223 0.305 0.000 2.275 90 L HA 0.261 4.600 4.340 -0.001 0.000 0.288 90 L C 0.003 177.123 176.870 0.417 0.000 1.046 90 L CA -1.082 53.900 54.840 0.236 0.000 0.805 90 L CB 1.061 43.174 42.059 0.090 0.000 1.193 90 L HN 0.267 nan 8.230 nan 0.000 0.426 91 L N 3.608 125.074 121.223 0.404 0.000 2.326 91 L HA 0.374 4.714 4.340 -0.001 0.000 0.278 91 L C -0.495 176.537 176.870 0.271 0.000 1.092 91 L CA 0.436 55.508 54.840 0.387 0.000 0.810 91 L CB 0.995 43.291 42.059 0.395 0.000 1.153 91 L HN 0.484 nan 8.230 nan 0.000 0.439 92 D N 3.955 124.482 120.400 0.211 0.000 2.358 92 D HA 0.623 5.263 4.640 -0.001 0.000 0.253 92 D C -0.188 176.168 176.300 0.095 0.000 1.288 92 D CA 0.833 54.951 54.000 0.196 0.000 0.950 92 D CB 0.837 41.797 40.800 0.267 0.000 1.197 92 D HN 0.949 nan 8.370 nan 0.000 0.550 93 G N 2.543 111.394 108.800 0.084 0.000 2.331 93 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.479 93 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.479 93 G C -1.151 173.781 174.900 0.052 0.000 1.262 93 G CA -1.050 44.075 45.100 0.042 0.000 1.029 93 G HN 0.295 nan 8.290 nan 0.000 0.487 94 K N 0.251 120.672 120.400 0.035 0.000 2.249 94 K HA 0.351 4.671 4.320 -0.001 0.000 0.280 94 K C 1.070 177.698 176.600 0.046 0.000 1.033 94 K CA -0.520 55.792 56.287 0.041 0.000 0.946 94 K CB 1.675 34.192 32.500 0.030 0.000 1.005 94 K HN 0.608 nan 8.250 nan 0.000 0.469 95 K N 1.763 122.203 120.400 0.066 0.000 2.439 95 K HA -0.119 4.201 4.320 -0.001 0.000 0.197 95 K C 0.516 177.152 176.600 0.059 0.000 1.041 95 K CA 1.419 57.756 56.287 0.083 0.000 0.970 95 K CB 0.101 32.669 32.500 0.112 0.000 0.773 95 K HN 0.591 nan 8.250 nan 0.000 0.479 96 D N -0.702 119.726 120.400 0.046 0.000 2.369 96 D HA 0.114 4.754 4.640 -0.001 0.000 0.211 96 D C -0.101 176.218 176.300 0.032 0.000 1.077 96 D CA -0.182 53.842 54.000 0.040 0.000 0.842 96 D CB -0.131 40.691 40.800 0.037 0.000 0.947 96 D HN 0.147 nan 8.370 nan 0.000 0.509 97 A N 2.199 125.034 122.820 0.025 0.000 2.548 97 A HA 0.254 4.574 4.320 -0.001 0.000 0.247 97 A C -0.908 176.689 177.584 0.022 0.000 1.067 97 A CA -0.751 51.298 52.037 0.020 0.000 0.757 97 A CB 0.405 19.411 19.000 0.009 0.000 0.996 97 A HN 0.121 nan 8.150 nan 0.000 0.504 98 P HA -0.053 nan 4.420 nan 0.000 0.217 98 P C 0.299 177.624 177.300 0.042 0.000 1.151 98 P CA 0.934 64.056 63.100 0.037 0.000 0.828 98 P CB -0.056 31.665 31.700 0.035 0.000 0.788 99 V N 2.062 121.997 119.914 0.035 0.000 2.432 99 V HA 0.232 4.351 4.120 -0.001 0.000 0.275 99 V C 0.644 176.756 176.094 0.030 0.000 1.043 99 V CA -0.430 61.893 62.300 0.038 0.000 0.925 99 V CB 1.166 32.998 31.823 0.014 0.000 0.985 99 V HN -0.082 nan 8.190 nan 0.000 0.466 100 I N 5.116 125.744 120.570 0.096 0.000 2.406 100 I HA 0.531 4.701 4.170 -0.001 0.000 0.290 100 I C -0.776 175.410 176.117 0.115 0.000 0.999 100 I CA -0.725 60.587 61.300 0.020 0.000 1.124 100 I CB 2.093 40.111 38.000 0.030 0.000 1.289 100 I HN 0.275 nan 8.210 nan 0.000 0.441 101 V N 6.633 126.481 119.914 -0.109 0.000 2.443 101 V HA 0.346 4.465 4.120 -0.001 0.000 0.293 101 V C -0.930 175.059 176.094 -0.175 0.000 1.021 101 V CA -0.713 61.600 62.300 0.023 0.000 0.848 101 V CB 1.444 33.325 31.823 0.096 0.000 0.998 101 V HN 0.398 nan 8.190 nan 0.000 0.424 102 Y N 3.205 123.538 120.300 0.054 0.000 2.308 102 Y HA 0.658 5.208 4.550 -0.001 0.000 0.329 102 Y C 0.218 176.169 175.900 0.085 0.000 1.111 102 Y CA -0.451 57.604 58.100 -0.076 0.000 1.179 102 Y CB 1.919 40.249 38.460 -0.215 0.000 1.201 102 Y HN 0.435 nan 8.280 nan 0.000 0.483 103 V N 5.240 125.251 119.914 0.162 0.000 2.686 103 V HA 0.501 4.621 4.120 -0.001 0.000 0.306 103 V C -1.552 174.579 176.094 0.063 0.000 1.065 103 V CA -1.039 61.385 62.300 0.206 0.000 0.894 103 V CB 0.975 32.982 31.823 0.308 0.000 1.004 103 V HN 0.550 nan 8.190 nan 0.000 0.424 104 F N 5.822 125.899 119.950 0.212 0.000 2.411 104 F HA 0.797 5.323 4.527 -0.001 0.000 0.355 104 F C 0.718 176.604 175.800 0.144 0.000 1.117 104 F CA 0.387 58.475 58.000 0.146 0.000 1.139 104 F CB 1.554 40.644 39.000 0.149 0.000 1.120 104 F HN 0.737 nan 8.300 nan 0.000 0.493 105 A N 3.087 126.034 122.820 0.212 0.000 2.423 105 A HA 0.612 4.931 4.320 -0.001 0.000 0.304 105 A C -1.438 176.233 177.584 0.145 0.000 1.104 105 A CA -0.647 51.531 52.037 0.236 0.000 0.757 105 A CB 1.593 20.806 19.000 0.355 0.000 1.313 105 A HN 0.600 nan 8.150 nan 0.000 0.423 106 D N 0.676 121.218 120.400 0.237 0.000 2.457 106 D HA 0.465 5.105 4.640 -0.001 0.000 0.240 106 D C -2.064 174.408 176.300 0.286 0.000 1.041 106 D CA -1.637 52.476 54.000 0.189 0.000 0.861 106 D CB 2.500 43.417 40.800 0.195 0.000 1.394 106 D HN 0.071 nan 8.370 nan 0.000 0.473 107 P HA -0.015 nan 4.420 nan 0.000 0.219 107 P C 0.125 177.345 177.300 -0.134 0.000 1.146 107 P CA 1.031 64.145 63.100 0.023 0.000 0.808 107 P CB 0.040 31.518 31.700 -0.369 0.000 0.779 108 F N -1.462 118.632 119.950 0.241 0.000 2.798 108 F HA 0.283 4.810 4.527 -0.001 0.000 0.333 108 F C 0.188 176.062 175.800 0.124 0.000 1.324 108 F CA -0.696 57.404 58.000 0.166 0.000 1.183 108 F CB 0.285 39.352 39.000 0.112 0.000 1.132 108 F HN -0.117 nan 8.300 nan 0.000 0.521 109 C N 2.198 121.649 119.300 0.252 0.000 2.356 109 C HA 0.429 4.889 4.460 -0.001 0.000 0.324 109 C C -1.369 173.709 174.990 0.146 0.000 1.167 109 C CA -2.190 56.941 59.018 0.187 0.000 1.420 109 C CB 0.531 28.406 27.740 0.225 0.000 2.036 109 C HN 0.332 nan 8.230 nan 0.000 0.435 110 P HA -0.122 nan 4.420 nan 0.000 0.216 110 P C 0.948 178.346 177.300 0.164 0.000 1.150 110 P CA 1.694 64.806 63.100 0.019 0.000 0.837 110 P CB -0.030 31.588 31.700 -0.136 0.000 0.786 111 Y N -1.913 118.470 120.300 0.138 0.000 2.439 111 Y HA -0.155 4.395 4.550 -0.001 0.000 0.292 111 Y C 2.467 178.503 175.900 0.228 0.000 1.130 111 Y CA -0.217 57.977 58.100 0.157 0.000 1.254 111 Y CB -0.609 37.925 38.460 0.124 0.000 1.000 111 Y HN -0.001 nan 8.280 nan 0.000 0.554 112 C N 0.315 119.852 119.300 0.395 0.000 2.425 112 C HA -0.161 4.298 4.460 -0.001 0.000 0.277 112 C C 2.560 177.794 174.990 0.406 0.000 1.280 112 C CA 1.149 60.423 59.018 0.427 0.000 1.744 112 C CB -0.710 27.282 27.740 0.419 0.000 1.989 112 C HN 0.487 nan 8.230 nan 0.000 0.491 113 K N 0.204 120.761 120.400 0.263 0.000 2.057 113 K HA -0.152 4.167 4.320 -0.001 0.000 0.206 113 K C 2.203 178.965 176.600 0.270 0.000 1.050 113 K CA 1.285 57.667 56.287 0.158 0.000 0.935 113 K CB -0.220 32.293 32.500 0.021 0.000 0.715 113 K HN 0.564 nan 8.250 nan 0.000 0.439 114 Q N -0.333 119.639 119.800 0.288 0.000 2.119 114 Q HA -0.152 4.188 4.340 -0.001 0.000 0.201 114 Q C 1.913 178.077 176.000 0.273 0.000 0.972 114 Q CA 1.329 57.288 55.803 0.261 0.000 0.847 114 Q CB -0.101 28.794 28.738 0.262 0.000 0.903 114 Q HN 0.264 nan 8.270 nan 0.000 0.433 115 F N -0.495 119.571 119.950 0.193 0.000 2.186 115 F HA -0.176 4.350 4.527 -0.000 0.000 0.299 115 F C 1.764 177.672 175.800 0.180 0.000 1.090 115 F CA 1.092 59.177 58.000 0.143 0.000 1.307 115 F CB -0.397 38.686 39.000 0.139 0.000 1.019 115 F HN 0.152 nan 8.300 nan 0.000 0.489 116 W N 1.485 122.733 121.300 -0.087 0.000 2.358 116 W HA -0.199 4.460 4.660 -0.002 0.000 0.303 116 W C 2.314 178.722 176.519 -0.186 0.000 1.208 116 W CA 1.917 59.147 57.345 -0.192 0.000 1.274 116 W CB -0.298 29.132 29.460 -0.050 0.000 1.138 116 W HN 0.003 nan 8.180 nan 0.000 0.515 117 Q N 0.126 120.038 119.800 0.186 0.000 2.079 117 Q HA -0.225 4.115 4.340 -0.001 0.000 0.200 117 Q C 2.139 178.075 176.000 -0.108 0.000 0.974 117 Q CA 1.879 57.712 55.803 0.051 0.000 0.840 117 Q CB -0.836 28.006 28.738 0.173 0.000 0.898 117 Q HN 0.556 nan 8.270 nan 0.000 0.430 118 Q N -0.206 119.550 119.800 -0.074 0.000 2.181 118 Q HA -0.102 4.238 4.340 -0.001 0.000 0.205 118 Q C 1.656 177.636 176.000 -0.033 0.000 0.980 118 Q CA 1.374 57.160 55.803 -0.028 0.000 0.862 118 Q CB -0.069 28.676 28.738 0.011 0.000 0.905 118 Q HN 0.308 nan 8.270 nan 0.000 0.429 119 A N 0.179 122.815 122.820 -0.306 0.000 2.218 119 A HA 0.005 4.324 4.320 -0.001 0.000 0.209 119 A C 1.577 179.060 177.584 -0.168 0.000 1.168 119 A CA -0.061 51.833 52.037 -0.238 0.000 0.804 119 A CB 0.059 18.682 19.000 -0.629 0.000 0.834 119 A HN 0.064 nan 8.150 nan 0.000 0.482 120 R N 0.674 120.973 120.500 -0.334 0.000 2.136 120 R HA -0.173 4.166 4.340 -0.001 0.000 0.242 120 R C -0.639 175.542 176.300 -0.198 0.000 1.131 120 R CA 2.168 58.053 56.100 -0.359 0.000 0.937 120 R CB -2.342 27.750 30.300 -0.345 0.000 0.863 120 R HN 0.360 nan 8.270 nan 0.000 0.435 121 P HA -0.209 nan 4.420 nan 0.000 0.215 121 P C 1.409 178.534 177.300 -0.291 0.000 1.163 121 P CA 1.377 64.279 63.100 -0.330 0.000 0.894 121 P CB -0.352 30.970 31.700 -0.630 0.000 0.791 122 W N -1.009 120.202 121.300 -0.150 0.000 2.388 122 W HA -0.069 4.590 4.660 -0.000 0.000 0.294 122 W C 2.072 178.516 176.519 -0.126 0.000 1.212 122 W CA 0.656 57.927 57.345 -0.123 0.000 1.271 122 W CB -1.094 28.293 29.460 -0.121 0.000 1.126 122 W HN -0.180 nan 8.180 nan 0.000 0.535 123 V N 0.817 120.777 119.914 0.077 0.000 2.270 123 V HA -0.284 3.836 4.120 -0.001 0.000 0.245 123 V C 1.906 177.978 176.094 -0.037 0.000 1.043 123 V CA 2.137 64.425 62.300 -0.020 0.000 1.014 123 V CB -0.959 30.788 31.823 -0.126 0.000 0.645 123 V HN -0.048 nan 8.190 nan 0.000 0.447 124 D N 0.498 120.851 120.400 -0.078 0.000 2.182 124 D HA -0.132 4.508 4.640 -0.001 0.000 0.201 124 D C 2.360 178.623 176.300 -0.061 0.000 0.986 124 D CA 1.733 55.689 54.000 -0.074 0.000 0.847 124 D CB -0.268 40.471 40.800 -0.103 0.000 0.942 124 D HN 0.608 nan 8.370 nan 0.000 0.467 125 S N -0.779 114.879 115.700 -0.070 0.000 2.481 125 S HA 0.115 4.585 4.470 -0.001 0.000 0.231 125 S C 1.807 176.393 174.600 -0.023 0.000 0.996 125 S CA 1.101 59.263 58.200 -0.064 0.000 0.942 125 S CB 0.122 63.263 63.200 -0.099 0.000 0.768 125 S HN 0.333 nan 8.310 nan 0.000 0.520 126 G N 1.323 110.120 108.800 -0.004 0.000 2.157 126 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.239 126 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.239 126 G C 0.673 175.590 174.900 0.028 0.000 0.982 126 G CA 0.470 45.577 45.100 0.011 0.000 0.650 126 G HN 0.552 nan 8.290 nan 0.000 0.527 127 K N -0.346 120.085 120.400 0.051 0.000 2.211 127 K HA 0.390 4.709 4.320 -0.001 0.000 0.201 127 K C 0.405 177.051 176.600 0.077 0.000 1.052 127 K CA 1.195 57.529 56.287 0.079 0.000 0.973 127 K CB 0.184 32.766 32.500 0.137 0.000 0.766 127 K HN 0.298 nan 8.250 nan 0.000 0.466 128 V N 2.513 122.473 119.914 0.078 0.000 2.709 128 V HA 0.197 4.316 4.120 -0.001 0.000 0.308 128 V C -1.108 174.984 176.094 -0.004 0.000 1.062 128 V CA -0.937 61.383 62.300 0.033 0.000 0.901 128 V CB 1.728 33.570 31.823 0.033 0.000 1.003 128 V HN 0.256 nan 8.190 nan 0.000 0.425 129 Q N 4.657 124.431 119.800 -0.043 0.000 2.333 129 Q HA 0.780 5.120 4.340 -0.001 0.000 0.267 129 Q C -1.612 174.317 176.000 -0.118 0.000 1.012 129 Q CA -0.787 54.976 55.803 -0.067 0.000 0.824 129 Q CB 2.574 31.262 28.738 -0.083 0.000 1.290 129 Q HN 0.605 nan 8.270 nan 0.000 0.449 130 L N 2.988 124.171 121.223 -0.067 0.000 2.289 130 L HA 0.533 4.872 4.340 -0.001 0.000 0.285 130 L C -0.075 176.749 176.870 -0.076 0.000 1.049 130 L CA -0.689 54.126 54.840 -0.042 0.000 0.804 130 L CB 1.277 43.387 42.059 0.085 0.000 1.195 130 L HN 0.621 nan 8.230 nan 0.000 0.428 131 R N 2.124 122.477 120.500 -0.245 0.000 2.320 131 R HA 0.340 4.680 4.340 -0.001 0.000 0.319 131 R C -0.800 175.504 176.300 0.008 0.000 0.969 131 R CA -0.521 55.430 56.100 -0.248 0.000 0.857 131 R CB 1.589 31.263 30.300 -1.043 0.000 1.160 131 R HN 0.481 nan 8.270 nan 0.000 0.491 132 T N 4.512 119.142 114.554 0.126 0.000 2.780 132 T HA 0.298 4.647 4.350 -0.001 0.000 0.294 132 T C 0.202 174.865 174.700 -0.062 0.000 0.949 132 T CA -0.303 61.812 62.100 0.024 0.000 1.074 132 T CB 0.634 69.455 68.868 -0.077 0.000 0.910 132 T HN 0.275 nan 8.240 nan 0.000 0.501 133 L N 4.642 125.748 121.223 -0.195 0.000 2.283 133 L HA 0.435 4.774 4.340 -0.001 0.000 0.281 133 L C 0.035 176.780 176.870 -0.208 0.000 1.033 133 L CA -0.589 54.102 54.840 -0.249 0.000 0.848 133 L CB 0.632 42.322 42.059 -0.614 0.000 1.226 133 L HN 0.411 nan 8.230 nan 0.000 0.429 134 L N 4.175 125.263 121.223 -0.227 0.000 2.417 134 L HA 0.492 4.832 4.340 -0.001 0.000 0.268 134 L C 0.068 176.891 176.870 -0.079 0.000 1.158 134 L CA -0.244 54.444 54.840 -0.252 0.000 0.819 134 L CB 1.436 43.266 42.059 -0.382 0.000 1.112 134 L HN 0.433 nan 8.230 nan 0.000 0.458 135 V N -0.677 119.215 119.914 -0.035 0.000 3.159 135 V HA 0.879 4.998 4.120 -0.001 0.000 0.308 135 V C -0.302 175.806 176.094 0.024 0.000 1.190 135 V CA -0.560 61.759 62.300 0.031 0.000 1.037 135 V CB 1.851 33.739 31.823 0.107 0.000 1.060 135 V HN 0.736 nan 8.190 nan 0.000 0.437 136 G N 0.194 109.018 108.800 0.040 0.000 3.764 136 G HA2 0.589 4.549 3.960 -0.001 0.000 0.333 136 G HA3 0.589 4.549 3.960 -0.001 0.000 0.333 136 G C -0.017 174.927 174.900 0.074 0.000 1.551 136 G CA 0.231 45.369 45.100 0.063 0.000 0.995 136 G HN 1.774 nan 8.290 nan 0.000 0.485 137 V N -0.328 119.640 119.914 0.090 0.000 3.480 137 V HA 0.341 4.460 4.120 -0.001 0.000 0.263 137 V C 1.940 178.082 176.094 0.079 0.000 1.442 137 V CA 0.362 62.706 62.300 0.073 0.000 1.053 137 V CB -0.560 31.299 31.823 0.059 0.000 0.846 137 V HN 0.454 nan 8.190 nan 0.000 0.440 138 I N 0.151 120.789 120.570 0.114 0.000 2.333 138 I HA 0.095 4.265 4.170 -0.001 0.000 0.246 138 I C 1.275 177.436 176.117 0.074 0.000 1.106 138 I CA 1.233 62.597 61.300 0.105 0.000 1.411 138 I CB 0.028 38.118 38.000 0.150 0.000 1.082 138 I HN 0.211 nan 8.210 nan 0.000 0.420 139 K N -0.014 120.442 120.400 0.093 0.000 2.352 139 K HA 0.340 4.659 4.320 -0.001 0.000 0.240 139 K C -1.955 174.647 176.600 0.003 0.000 1.017 139 K CA -1.730 54.547 56.287 -0.016 0.000 0.851 139 K CB 0.987 33.359 32.500 -0.214 0.000 1.261 139 K HN -0.361 nan 8.250 nan 0.000 0.451 140 P HA -0.105 nan 4.420 nan 0.000 0.217 140 P C 0.335 177.646 177.300 0.018 0.000 1.150 140 P CA 1.287 64.378 63.100 -0.016 0.000 0.832 140 P CB 0.413 32.089 31.700 -0.040 0.000 0.787 141 E N -1.491 118.715 120.200 0.010 0.000 2.437 141 E HA 0.117 4.467 4.350 -0.001 0.000 0.189 141 E C 1.732 178.524 176.600 0.319 0.000 1.054 141 E CA 0.245 56.718 56.400 0.122 0.000 0.874 141 E CB -0.822 28.938 29.700 0.101 0.000 1.011 141 E HN 0.072 nan 8.360 nan 0.000 0.474 142 S N 0.959 116.838 115.700 0.299 0.000 2.368 142 S HA -0.062 4.407 4.470 -0.001 0.000 0.224 142 S C -0.819 173.879 174.600 0.163 0.000 1.029 142 S CA 0.985 59.397 58.200 0.353 0.000 0.988 142 S CB -0.570 62.806 63.200 0.295 0.000 0.838 142 S HN 0.259 nan 8.310 nan 0.000 0.462 143 P HA 0.090 nan 4.420 nan 0.000 0.217 143 P C 1.354 178.676 177.300 0.037 0.000 1.151 143 P CA 1.097 64.228 63.100 0.051 0.000 0.828 143 P CB -0.058 31.665 31.700 0.039 0.000 0.788 144 A N -0.683 122.174 122.820 0.062 0.000 1.877 144 A HA -0.164 4.156 4.320 -0.001 0.000 0.216 144 A C 2.199 179.805 177.584 0.037 0.000 1.186 144 A CA 2.412 54.479 52.037 0.050 0.000 0.620 144 A CB -1.888 17.153 19.000 0.069 0.000 0.822 144 A HN 0.141 nan 8.150 nan 0.000 0.443 145 T N 0.258 114.850 114.554 0.063 0.000 2.777 145 T HA 0.045 4.394 4.350 -0.001 0.000 0.266 145 T C 2.233 176.869 174.700 -0.107 0.000 1.040 145 T CA 1.454 63.542 62.100 -0.019 0.000 1.141 145 T CB -0.437 68.396 68.868 -0.057 0.000 0.868 145 T HN 0.577 nan 8.240 nan 0.000 0.444 146 A N 1.612 124.380 122.820 -0.085 0.000 1.877 146 A HA 0.159 4.478 4.320 -0.001 0.000 0.216 146 A C 2.665 180.190 177.584 -0.099 0.000 1.186 146 A CA 1.828 53.792 52.037 -0.121 0.000 0.620 146 A CB -1.173 17.771 19.000 -0.094 0.000 0.822 146 A HN 0.498 nan 8.150 nan 0.000 0.443 147 A N -0.153 122.631 122.820 -0.060 0.000 1.902 147 A HA 0.137 4.457 4.320 -0.001 0.000 0.217 147 A C 2.499 180.052 177.584 -0.051 0.000 1.181 147 A CA 2.158 54.163 52.037 -0.053 0.000 0.623 147 A CB -1.007 17.974 19.000 -0.032 0.000 0.818 147 A HN 1.077 nan 8.150 nan 0.000 0.443 148 A N -0.091 122.703 122.820 -0.043 0.000 1.902 148 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 148 A C 2.105 179.663 177.584 -0.043 0.000 1.181 148 A CA 1.537 53.554 52.037 -0.034 0.000 0.623 148 A CB -0.595 18.392 19.000 -0.021 0.000 0.818 148 A HN 0.502 nan 8.150 nan 0.000 0.443 149 I N -0.461 120.065 120.570 -0.072 0.000 2.361 149 I HA -0.221 3.948 4.170 -0.001 0.000 0.251 149 I C 2.067 178.162 176.117 -0.037 0.000 1.133 149 I CA 0.990 62.257 61.300 -0.055 0.000 1.413 149 I CB -0.190 37.765 38.000 -0.075 0.000 1.073 149 I HN 0.276 nan 8.210 nan 0.000 0.424 150 L N 0.100 121.285 121.223 -0.064 0.000 2.395 150 L HA -0.018 4.322 4.340 -0.001 0.000 0.218 150 L C 2.562 179.399 176.870 -0.054 0.000 1.130 150 L CA 0.550 55.349 54.840 -0.068 0.000 0.826 150 L CB -0.424 41.578 42.059 -0.095 0.000 0.941 150 L HN 0.192 nan 8.230 nan 0.000 0.451 151 A N -0.291 122.504 122.820 -0.043 0.000 2.021 151 A HA 0.004 4.324 4.320 -0.001 0.000 0.216 151 A C 1.514 179.086 177.584 -0.020 0.000 1.163 151 A CA 0.514 52.531 52.037 -0.033 0.000 0.676 151 A CB -0.293 18.691 19.000 -0.027 0.000 0.818 151 A HN 0.421 nan 8.150 nan 0.000 0.453 152 S N -0.230 115.464 115.700 -0.011 0.000 2.560 152 S HA 0.023 4.493 4.470 -0.001 0.000 0.276 152 S C 1.003 175.605 174.600 0.002 0.000 1.350 152 S CA 0.431 58.632 58.200 0.002 0.000 1.024 152 S CB 0.749 63.957 63.200 0.015 0.000 0.864 152 S HN 0.461 nan 8.310 nan 0.000 0.536 153 K N 0.297 120.701 120.400 0.007 0.000 2.057 153 K HA -0.152 4.167 4.320 -0.001 0.000 0.207 153 K C 0.099 176.706 176.600 0.011 0.000 1.049 153 K CA 1.716 58.006 56.287 0.006 0.000 0.931 153 K CB -0.101 32.404 32.500 0.009 0.000 0.714 153 K HN 0.780 nan 8.250 nan 0.000 0.440 154 D N -0.172 120.242 120.400 0.023 0.000 2.441 154 D HA 0.193 4.832 4.640 -0.001 0.000 0.287 154 D C -2.188 174.143 176.300 0.051 0.000 1.198 154 D CA -2.395 51.626 54.000 0.034 0.000 0.894 154 D CB 1.412 42.236 40.800 0.041 0.000 1.070 154 D HN -0.088 nan 8.370 nan 0.000 0.499 155 P HA -0.224 nan 4.420 nan 0.000 0.217 155 P C 1.244 178.618 177.300 0.123 0.000 1.158 155 P CA 2.029 65.163 63.100 0.057 0.000 0.887 155 P CB 0.300 32.008 31.700 0.013 0.000 0.792 156 A N -0.390 122.504 122.820 0.123 0.000 1.883 156 A HA -0.275 4.045 4.320 -0.001 0.000 0.217 156 A C 2.311 180.028 177.584 0.222 0.000 1.186 156 A CA 2.209 54.363 52.037 0.196 0.000 0.624 156 A CB -1.307 17.793 19.000 0.167 0.000 0.822 156 A HN 0.143 nan 8.150 nan 0.000 0.444 157 K N -1.053 119.438 120.400 0.151 0.000 2.002 157 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 157 K C 2.106 178.777 176.600 0.120 0.000 1.048 157 K CA 1.941 58.305 56.287 0.128 0.000 0.930 157 K CB -0.455 32.098 32.500 0.088 0.000 0.714 157 K HN 0.451 nan 8.250 nan 0.000 0.438 158 T N 0.870 115.493 114.554 0.114 0.000 2.665 158 T HA -0.224 4.125 4.350 -0.001 0.000 0.268 158 T C 1.237 176.018 174.700 0.135 0.000 1.035 158 T CA 1.551 63.713 62.100 0.102 0.000 1.151 158 T CB -0.452 68.471 68.868 0.090 0.000 0.862 158 T HN 0.503 nan 8.240 nan 0.000 0.438 159 W N 1.764 123.065 121.300 0.003 0.000 2.338 159 W HA -0.195 4.465 4.660 0.000 0.000 0.304 159 W C 2.117 178.628 176.519 -0.014 0.000 1.212 159 W CA 1.301 58.642 57.345 -0.007 0.000 1.264 159 W CB -0.275 29.191 29.460 0.010 0.000 1.142 159 W HN 0.393 nan 8.180 nan 0.000 0.512 160 Q N 0.161 119.955 119.800 -0.010 0.000 2.061 160 Q HA -0.285 4.054 4.340 -0.001 0.000 0.204 160 Q C 2.361 178.164 176.000 -0.327 0.000 0.984 160 Q CA 2.083 57.838 55.803 -0.079 0.000 0.846 160 Q CB -0.529 28.356 28.738 0.246 0.000 0.902 160 Q HN 0.475 nan 8.270 nan 0.000 0.421 161 Q N -0.571 119.135 119.800 -0.157 0.000 2.084 161 Q HA -0.213 4.127 4.340 -0.001 0.000 0.202 161 Q C 1.828 177.641 176.000 -0.312 0.000 0.978 161 Q CA 1.451 57.148 55.803 -0.175 0.000 0.844 161 Q CB -0.244 28.460 28.738 -0.056 0.000 0.898 161 Q HN 0.391 nan 8.270 nan 0.000 0.426 162 Y N 1.821 121.861 120.300 -0.433 0.000 2.114 162 Y HA -0.287 4.262 4.550 -0.001 0.000 0.282 162 Y C 2.151 177.621 175.900 -0.715 0.000 1.165 162 Y CA 1.685 59.489 58.100 -0.494 0.000 1.148 162 Y CB 0.138 38.320 38.460 -0.465 0.000 0.972 162 Y HN 0.063 nan 8.280 nan 0.000 0.504 163 E N -0.123 119.469 120.200 -1.013 0.000 2.072 163 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 163 E C 2.402 178.293 176.600 -1.181 0.000 0.985 163 E CA 1.053 56.698 56.400 -1.258 0.000 0.801 163 E CB -0.665 27.863 29.700 -1.955 0.000 0.750 163 E HN 0.560 nan 8.360 nan 0.000 0.452 164 A N 1.529 123.562 122.820 -1.311 0.000 1.969 164 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 164 A C 2.210 179.577 177.584 -0.361 0.000 1.169 164 A CA 1.768 53.364 52.037 -0.735 0.000 0.635 164 A CB -0.372 18.410 19.000 -0.363 0.000 0.810 164 A HN 0.262 nan 8.150 nan 0.000 0.445 165 S N -1.084 114.375 115.700 -0.401 0.000 2.710 165 S HA 0.384 4.854 4.470 -0.001 0.000 0.224 165 S C 1.197 175.600 174.600 -0.328 0.000 0.948 165 S CA 0.793 58.818 58.200 -0.293 0.000 0.949 165 S CB -0.826 62.214 63.200 -0.266 0.000 0.778 165 S HN 1.859 nan 8.310 nan 0.000 0.498 166 G N 0.732 109.312 108.800 -0.367 0.000 2.321 166 G HA2 0.006 3.965 3.960 -0.001 0.000 0.287 166 G HA3 0.006 3.965 3.960 -0.001 0.000 0.287 166 G C 1.082 175.737 174.900 -0.409 0.000 1.018 166 G CA 0.284 45.198 45.100 -0.310 0.000 0.855 166 G HN 1.907 nan 8.290 nan 0.000 0.507 167 G N -1.206 107.141 108.800 -0.755 0.000 2.162 167 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.260 167 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.260 167 G C 0.908 175.432 174.900 -0.628 0.000 0.976 167 G CA 1.262 45.726 45.100 -1.059 0.000 0.655 167 G HN 0.891 nan 8.290 nan 0.000 0.533 168 K N -0.689 119.461 120.400 -0.417 0.000 2.404 168 K HA 0.295 4.615 4.320 -0.001 0.000 0.194 168 K C 0.986 177.486 176.600 -0.167 0.000 1.023 168 K CA -0.347 55.813 56.287 -0.212 0.000 1.094 168 K CB 0.328 32.743 32.500 -0.142 0.000 0.841 168 K HN 0.391 nan 8.250 nan 0.000 0.523 169 L N 2.485 123.566 121.223 -0.237 0.000 2.477 169 L HA 0.025 4.365 4.340 -0.001 0.000 0.272 169 L C -0.354 176.525 176.870 0.015 0.000 1.157 169 L CA 0.324 55.107 54.840 -0.095 0.000 0.889 169 L CB 0.248 42.261 42.059 -0.076 0.000 1.158 169 L HN -0.110 nan 8.230 nan 0.000 0.473 170 K N 5.793 126.204 120.400 0.018 0.000 2.326 170 K HA 0.427 4.747 4.320 -0.001 0.000 0.275 170 K C -0.826 175.810 176.600 0.060 0.000 1.018 170 K CA -0.205 56.108 56.287 0.043 0.000 0.962 170 K CB 0.714 33.229 32.500 0.025 0.000 0.953 170 K HN 0.575 nan 8.250 nan 0.000 0.475 171 L N 1.391 122.655 121.223 0.069 0.000 2.309 171 L HA 0.346 4.686 4.340 -0.001 0.000 0.261 171 L C -0.027 176.867 176.870 0.040 0.000 1.021 171 L CA -0.977 53.897 54.840 0.056 0.000 0.823 171 L CB 1.729 43.824 42.059 0.060 0.000 1.366 171 L HN 0.629 nan 8.230 nan 0.000 0.423 172 N N 0.657 119.374 118.700 0.028 0.000 2.437 172 N HA 0.312 5.052 4.740 -0.001 0.000 0.259 172 N C -1.332 174.189 175.510 0.018 0.000 0.983 172 N CA -0.407 52.656 53.050 0.021 0.000 0.937 172 N CB 1.564 40.060 38.487 0.015 0.000 1.122 172 N HN 0.267 nan 8.380 nan 0.000 0.499 173 V N 4.906 124.833 119.914 0.021 0.000 2.432 173 V HA 0.302 4.422 4.120 -0.001 0.000 0.271 173 V C -1.772 174.329 176.094 0.012 0.000 1.046 173 V CA -1.236 61.075 62.300 0.019 0.000 0.945 173 V CB 0.542 32.382 31.823 0.028 0.000 0.992 173 V HN 0.658 nan 8.190 nan 0.000 0.471 174 P HA 0.317 nan 4.420 nan 0.000 0.274 174 P C 0.833 178.134 177.300 0.002 0.000 1.237 174 P CA -0.307 62.794 63.100 0.001 0.000 0.793 174 P CB 0.924 32.621 31.700 -0.006 0.000 0.977 175 A N 1.800 124.621 122.820 0.001 0.000 1.978 175 A HA -0.103 4.216 4.320 -0.001 0.000 0.220 175 A C 0.642 178.226 177.584 0.000 0.000 1.170 175 A CA 1.518 53.555 52.037 0.001 0.000 0.636 175 A CB -0.875 18.124 19.000 -0.001 0.000 0.810 175 A HN 0.797 nan 8.150 nan 0.000 0.448 176 N N -2.894 115.804 118.700 -0.003 0.000 2.823 176 N HA 0.363 5.103 4.740 -0.001 0.000 0.251 176 N C -1.345 174.158 175.510 -0.011 0.000 1.392 176 N CA -0.718 52.328 53.050 -0.005 0.000 0.864 176 N CB 0.969 39.452 38.487 -0.007 0.000 1.481 176 N HN -0.130 nan 8.380 nan 0.000 0.508 177 V N 1.001 120.908 119.914 -0.012 0.000 2.439 177 V HA 0.267 4.386 4.120 -0.001 0.000 0.271 177 V C 1.194 177.273 176.094 -0.025 0.000 1.040 177 V CA -0.486 61.803 62.300 -0.020 0.000 1.002 177 V CB 0.042 31.855 31.823 -0.017 0.000 1.000 177 V HN 0.870 nan 8.190 nan 0.000 0.477 178 S N 3.826 119.507 115.700 -0.033 0.000 2.587 178 S HA 0.018 4.488 4.470 -0.001 0.000 0.260 178 S C 1.603 176.178 174.600 -0.042 0.000 1.353 178 S CA 0.293 58.471 58.200 -0.037 0.000 0.995 178 S CB 1.041 64.214 63.200 -0.045 0.000 0.912 178 S HN 0.983 nan 8.310 nan 0.000 0.568 179 T N -0.941 113.589 114.554 -0.040 0.000 2.821 179 T HA -0.106 4.243 4.350 -0.001 0.000 0.267 179 T C 1.564 176.230 174.700 -0.058 0.000 1.046 179 T CA 1.394 63.469 62.100 -0.041 0.000 1.139 179 T CB -0.706 68.142 68.868 -0.033 0.000 0.871 179 T HN 0.745 nan 8.240 nan 0.000 0.454 180 E N 1.556 121.711 120.200 -0.075 0.000 2.150 180 E HA -0.106 4.243 4.350 -0.001 0.000 0.193 180 E C 2.319 178.835 176.600 -0.140 0.000 0.985 180 E CA 1.280 57.611 56.400 -0.114 0.000 0.814 180 E CB -0.440 29.181 29.700 -0.132 0.000 0.752 180 E HN 0.691 nan 8.360 nan 0.000 0.466 181 Q N -0.899 118.835 119.800 -0.110 0.000 2.083 181 Q HA -0.058 4.281 4.340 -0.001 0.000 0.198 181 Q C 2.036 177.987 176.000 -0.080 0.000 0.969 181 Q CA 1.609 57.349 55.803 -0.105 0.000 0.838 181 Q CB -0.148 28.542 28.738 -0.080 0.000 0.900 181 Q HN 0.292 nan 8.270 nan 0.000 0.436 182 M N 0.839 120.403 119.600 -0.060 0.000 2.159 182 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 182 M C 1.863 178.140 176.300 -0.040 0.000 1.063 182 M CA 1.628 56.903 55.300 -0.041 0.000 1.110 182 M CB 0.003 32.584 32.600 -0.031 0.000 1.374 182 M HN -0.050 nan 8.290 nan 0.000 0.411 183 K N -0.903 119.465 120.400 -0.053 0.000 2.062 183 K HA -0.088 4.232 4.320 -0.001 0.000 0.205 183 K C 1.609 178.186 176.600 -0.039 0.000 1.051 183 K CA 1.540 57.802 56.287 -0.042 0.000 0.941 183 K CB -0.188 32.282 32.500 -0.048 0.000 0.719 183 K HN 0.250 nan 8.250 nan 0.000 0.440 184 V N 1.949 121.816 119.914 -0.079 0.000 2.332 184 V HA -0.259 3.860 4.120 -0.001 0.000 0.248 184 V C 2.334 178.414 176.094 -0.024 0.000 1.055 184 V CA 1.657 63.921 62.300 -0.061 0.000 1.038 184 V CB -0.351 31.389 31.823 -0.140 0.000 0.651 184 V HN 0.331 nan 8.190 nan 0.000 0.450 185 L N -0.567 120.635 121.223 -0.035 0.000 2.027 185 L HA -0.132 4.207 4.340 -0.001 0.000 0.206 185 L C 2.614 179.489 176.870 0.007 0.000 1.074 185 L CA 1.669 56.500 54.840 -0.015 0.000 0.745 185 L CB -0.625 41.420 42.059 -0.023 0.000 0.898 185 L HN 0.279 nan 8.230 nan 0.000 0.433 186 S N -0.422 115.279 115.700 0.000 0.000 2.383 186 S HA -0.163 4.306 4.470 -0.001 0.000 0.227 186 S C 1.498 176.108 174.600 0.017 0.000 1.026 186 S CA 1.276 59.481 58.200 0.007 0.000 0.981 186 S CB -0.237 62.962 63.200 -0.001 0.000 0.818 186 S HN 0.413 nan 8.310 nan 0.000 0.472 187 D N 1.630 122.041 120.400 0.020 0.000 2.117 187 D HA -0.027 4.612 4.640 -0.001 0.000 0.198 187 D C 1.796 178.130 176.300 0.056 0.000 0.982 187 D CA 0.831 54.850 54.000 0.031 0.000 0.828 187 D CB -0.515 40.307 40.800 0.036 0.000 0.967 187 D HN 0.183 nan 8.370 nan 0.000 0.464 188 N N 0.616 119.361 118.700 0.074 0.000 2.166 188 N HA -0.121 4.618 4.740 -0.001 0.000 0.186 188 N C 1.627 177.245 175.510 0.180 0.000 1.019 188 N CA 0.662 53.803 53.050 0.152 0.000 0.856 188 N CB -0.200 38.362 38.487 0.125 0.000 0.993 188 N HN 0.292 nan 8.380 nan 0.000 0.426 189 E N 0.306 120.562 120.200 0.094 0.000 2.110 189 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 189 E C 1.765 178.369 176.600 0.007 0.000 0.988 189 E CA 1.070 57.500 56.400 0.050 0.000 0.804 189 E CB 0.055 29.774 29.700 0.031 0.000 0.745 189 E HN 0.164 nan 8.360 nan 0.000 0.458 190 K N 0.533 120.941 120.400 0.013 0.000 2.062 190 K HA -0.124 4.196 4.320 -0.001 0.000 0.205 190 K C 1.893 178.478 176.600 -0.025 0.000 1.051 190 K CA 0.810 57.092 56.287 -0.008 0.000 0.941 190 K CB -0.420 32.080 32.500 -0.001 0.000 0.719 190 K HN 0.100 nan 8.250 nan 0.000 0.440 191 L N 0.944 122.172 121.223 0.007 0.000 2.017 191 L HA -0.063 4.276 4.340 -0.001 0.000 0.208 191 L C 2.325 179.113 176.870 -0.137 0.000 1.073 191 L CA 2.171 57.008 54.840 -0.005 0.000 0.745 191 L CB -0.674 41.445 42.059 0.102 0.000 0.894 191 L HN 0.477 nan 8.230 nan 0.000 0.432 192 M N -0.977 118.467 119.600 -0.260 0.000 2.108 192 M HA -0.260 4.220 4.480 -0.001 0.000 0.261 192 M C 1.894 177.977 176.300 -0.362 0.000 1.066 192 M CA 2.414 57.271 55.300 -0.738 0.000 1.107 192 M CB -0.353 31.816 32.600 -0.718 0.000 1.356 192 M HN 0.373 nan 8.290 nan 0.000 0.406 193 D N 0.459 120.746 120.400 -0.189 0.000 2.117 193 D HA -0.172 4.468 4.640 -0.001 0.000 0.198 193 D C 1.373 177.615 176.300 -0.097 0.000 0.982 193 D CA 1.402 55.334 54.000 -0.113 0.000 0.828 193 D CB -0.219 40.542 40.800 -0.066 0.000 0.967 193 D HN 0.395 nan 8.370 nan 0.000 0.464 194 D N -0.470 119.873 120.400 -0.095 0.000 2.309 194 D HA -0.080 4.559 4.640 -0.001 0.000 0.212 194 D C 1.664 177.916 176.300 -0.080 0.000 0.968 194 D CA 0.347 54.304 54.000 -0.072 0.000 0.882 194 D CB 0.033 40.797 40.800 -0.061 0.000 0.918 194 D HN 0.332 nan 8.370 nan 0.000 0.503 195 L N -0.880 120.268 121.223 -0.125 0.000 2.607 195 L HA 0.181 4.521 4.340 -0.001 0.000 0.228 195 L C 1.417 178.276 176.870 -0.018 0.000 1.123 195 L CA 0.218 55.001 54.840 -0.095 0.000 0.890 195 L CB 0.240 42.169 42.059 -0.217 0.000 1.103 195 L HN 0.076 nan 8.230 nan 0.000 0.468 196 G N 0.538 109.311 108.800 -0.046 0.000 2.153 196 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.252 196 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.252 196 G C 0.332 175.222 174.900 -0.016 0.000 0.994 196 G CA 0.198 45.285 45.100 -0.022 0.000 0.698 196 G HN 0.466 nan 8.290 nan 0.000 0.521 197 A N -0.380 122.412 122.820 -0.046 0.000 2.478 197 A HA 0.723 5.043 4.320 -0.001 0.000 0.327 197 A C 0.810 178.352 177.584 -0.069 0.000 1.431 197 A CA 0.341 52.354 52.037 -0.040 0.000 1.014 197 A CB 0.023 19.008 19.000 -0.025 0.000 1.143 197 A HN 0.447 nan 8.150 nan 0.000 0.532 198 N N 0.889 119.575 118.700 -0.024 0.000 2.499 198 N HA 0.086 4.826 4.740 -0.001 0.000 0.182 198 N C -0.025 175.500 175.510 0.025 0.000 1.034 198 N CA 0.166 53.212 53.050 -0.008 0.000 0.882 198 N CB 0.349 38.835 38.487 -0.002 0.000 1.125 198 N HN 0.441 nan 8.380 nan 0.000 0.436 199 V N 2.453 122.388 119.914 0.035 0.000 2.583 199 V HA 0.225 4.345 4.120 -0.001 0.000 0.287 199 V C -0.006 176.140 176.094 0.086 0.000 1.051 199 V CA 0.251 62.590 62.300 0.065 0.000 1.010 199 V CB 1.257 33.120 31.823 0.066 0.000 0.988 199 V HN 0.201 nan 8.190 nan 0.000 0.478 200 M N 6.595 126.270 119.600 0.126 0.000 2.724 200 M HA 0.503 4.982 4.480 -0.001 0.000 0.310 200 M C -2.574 173.846 176.300 0.200 0.000 1.217 200 M CA -1.889 53.508 55.300 0.162 0.000 0.894 200 M CB 2.402 35.121 32.600 0.197 0.000 1.719 200 M HN 0.363 nan 8.290 nan 0.000 0.479 201 P HA 0.203 nan 4.420 nan 0.000 0.275 201 P C -1.453 175.890 177.300 0.071 0.000 1.227 201 P CA -0.280 62.915 63.100 0.158 0.000 0.781 201 P CB 0.644 32.422 31.700 0.129 0.000 0.906 202 A N 4.764 127.682 122.820 0.164 0.000 2.273 202 A HA 0.517 4.836 4.320 -0.001 0.000 0.320 202 A C 0.133 177.806 177.584 0.148 0.000 1.358 202 A CA -0.777 51.337 52.037 0.127 0.000 0.910 202 A CB -0.367 18.792 19.000 0.264 0.000 1.159 202 A HN 0.469 nan 8.150 nan 0.000 0.526 203 I N 2.488 122.968 120.570 -0.149 0.000 2.331 203 I HA 0.345 4.515 4.170 -0.001 0.000 0.292 203 I C -1.042 174.973 176.117 -0.170 0.000 0.998 203 I CA -0.361 60.873 61.300 -0.110 0.000 1.267 203 I CB 0.933 38.748 38.000 -0.308 0.000 1.386 203 I HN 0.590 nan 8.210 nan 0.000 0.476 204 Y N 6.465 126.962 120.300 0.328 0.000 2.376 204 Y HA 0.576 5.125 4.550 -0.001 0.000 0.340 204 Y C -0.366 175.872 175.900 0.562 0.000 0.965 204 Y CA -0.727 57.605 58.100 0.386 0.000 1.078 204 Y CB 1.537 40.222 38.460 0.375 0.000 1.193 204 Y HN 0.491 nan 8.280 nan 0.000 0.452 205 Y N -0.305 120.230 120.300 0.392 0.000 2.689 205 Y HA 0.765 5.314 4.550 -0.001 0.000 0.333 205 Y C -1.498 174.414 175.900 0.019 0.000 1.190 205 Y CA -1.767 56.510 58.100 0.296 0.000 1.063 205 Y CB 1.374 39.901 38.460 0.112 0.000 1.294 205 Y HN 0.255 nan 8.280 nan 0.000 0.466 206 M N 2.888 122.392 119.600 -0.160 0.000 2.336 206 M HA 0.372 4.851 4.480 -0.001 0.000 0.342 206 M C -0.025 176.190 176.300 -0.142 0.000 1.128 206 M CA -0.560 54.510 55.300 -0.383 0.000 1.016 206 M CB 1.884 34.089 32.600 -0.660 0.000 1.665 206 M HN 0.990 nan 8.290 nan 0.000 0.445 207 S N 3.169 118.763 115.700 -0.177 0.000 2.626 207 S HA 0.284 4.754 4.470 -0.001 0.000 0.257 207 S C 1.054 175.622 174.600 -0.054 0.000 1.288 207 S CA -0.417 57.744 58.200 -0.065 0.000 0.980 207 S CB 0.949 64.095 63.200 -0.090 0.000 0.975 207 S HN 0.595 nan 8.310 nan 0.000 0.577 208 K N 0.680 121.067 120.400 -0.022 0.000 2.147 208 K HA -0.042 4.278 4.320 -0.001 0.000 0.205 208 K C 1.052 177.631 176.600 -0.036 0.000 1.049 208 K CA 1.376 57.651 56.287 -0.021 0.000 0.936 208 K CB -0.531 31.966 32.500 -0.005 0.000 0.722 208 K HN 0.704 nan 8.250 nan 0.000 0.446 209 E N 0.782 120.957 120.200 -0.042 0.000 2.437 209 E HA 0.086 4.436 4.350 -0.001 0.000 0.195 209 E C -0.636 175.924 176.600 -0.066 0.000 1.029 209 E CA -0.199 56.176 56.400 -0.041 0.000 0.948 209 E CB -0.032 29.656 29.700 -0.020 0.000 1.082 209 E HN 0.109 nan 8.360 nan 0.000 0.456 210 N N 0.579 119.215 118.700 -0.106 0.000 2.758 210 N HA -0.135 4.604 4.740 -0.001 0.000 0.248 210 N C -1.032 174.376 175.510 -0.170 0.000 1.076 210 N CA 1.141 54.092 53.050 -0.166 0.000 0.696 210 N CB -1.709 36.691 38.487 -0.145 0.000 0.979 210 N HN 0.127 nan 8.380 nan 0.000 0.550 211 T N 0.497 114.955 114.554 -0.159 0.000 2.888 211 T HA 0.444 4.794 4.350 -0.001 0.000 0.284 211 T C 0.453 175.033 174.700 -0.199 0.000 1.017 211 T CA -0.714 61.307 62.100 -0.131 0.000 1.022 211 T CB 2.158 70.982 68.868 -0.073 0.000 1.013 211 T HN 0.130 nan 8.240 nan 0.000 0.465 212 L N 4.359 125.497 121.223 -0.141 0.000 2.565 212 L HA 0.190 4.529 4.340 -0.001 0.000 0.275 212 L C 0.082 176.854 176.870 -0.164 0.000 1.137 212 L CA 0.448 55.223 54.840 -0.108 0.000 0.915 212 L CB -0.246 41.834 42.059 0.034 0.000 1.232 212 L HN 0.478 nan 8.230 nan 0.000 0.473 213 Q N 4.318 123.886 119.800 -0.386 0.000 2.193 213 Q HA 0.422 4.762 4.340 -0.001 0.000 0.246 213 Q C -0.809 174.932 176.000 -0.431 0.000 0.959 213 Q CA -0.368 55.090 55.803 -0.575 0.000 0.904 213 Q CB 1.815 29.806 28.738 -1.244 0.000 1.238 213 Q HN 0.670 nan 8.270 nan 0.000 0.469 214 Q N -0.230 119.398 119.800 -0.288 0.000 2.315 214 Q HA 0.704 5.044 4.340 -0.001 0.000 0.273 214 Q C -1.996 173.931 176.000 -0.122 0.000 1.053 214 Q CA -0.586 55.038 55.803 -0.298 0.000 0.817 214 Q CB 2.167 30.727 28.738 -0.296 0.000 1.326 214 Q HN 0.686 nan 8.270 nan 0.000 0.423 215 A N 2.883 125.612 122.820 -0.151 0.000 2.374 215 A HA 0.720 5.040 4.320 -0.001 0.000 0.305 215 A C -1.446 176.026 177.584 -0.186 0.000 1.053 215 A CA -0.477 51.493 52.037 -0.111 0.000 0.726 215 A CB 1.851 20.792 19.000 -0.098 0.000 1.229 215 A HN 0.428 nan 8.150 nan 0.000 0.431 216 V N 2.075 121.909 119.914 -0.133 0.000 2.531 216 V HA 0.831 4.950 4.120 -0.001 0.000 0.301 216 V C 0.773 176.826 176.094 -0.069 0.000 1.034 216 V CA 0.675 62.918 62.300 -0.096 0.000 0.865 216 V CB 0.778 32.566 31.823 -0.059 0.000 0.995 216 V HN 2.352 nan 8.190 nan 0.000 0.424 217 G N 3.750 112.527 108.800 -0.038 0.000 2.587 217 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.212 217 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.212 217 G C -0.974 173.850 174.900 -0.127 0.000 1.327 217 G CA -0.263 44.829 45.100 -0.013 0.000 0.898 217 G HN 1.109 nan 8.290 nan 0.000 0.551 218 L N 2.539 123.591 121.223 -0.284 0.000 2.315 218 L HA 0.612 4.952 4.340 -0.001 0.000 0.283 218 L C -1.498 175.273 176.870 -0.166 0.000 1.089 218 L CA -1.418 53.266 54.840 -0.260 0.000 0.833 218 L CB 0.346 42.090 42.059 -0.524 0.000 1.170 218 L HN 0.495 nan 8.230 nan 0.000 0.442 219 P HA 0.206 nan 4.420 nan 0.000 0.272 219 P C -1.349 175.923 177.300 -0.047 0.000 1.223 219 P CA -0.371 62.683 63.100 -0.076 0.000 0.784 219 P CB 0.415 32.077 31.700 -0.064 0.000 0.923 220 D N -0.039 120.332 120.400 -0.048 0.000 2.423 220 D HA 0.083 4.723 4.640 -0.001 0.000 0.255 220 D C 1.117 177.407 176.300 -0.016 0.000 1.174 220 D CA -0.452 53.531 54.000 -0.029 0.000 1.008 220 D CB 0.208 40.992 40.800 -0.028 0.000 1.101 220 D HN 0.120 nan 8.370 nan 0.000 0.516 221 Q N -0.236 119.565 119.800 0.002 0.000 2.133 221 Q HA -0.247 4.093 4.340 -0.001 0.000 0.208 221 Q C 1.730 177.731 176.000 0.001 0.000 0.991 221 Q CA 2.021 57.835 55.803 0.019 0.000 0.867 221 Q CB -0.163 28.592 28.738 0.029 0.000 0.911 221 Q HN 0.584 nan 8.270 nan 0.000 0.417 222 K N -1.281 119.112 120.400 -0.012 0.000 2.001 222 K HA -0.090 4.230 4.320 -0.001 0.000 0.208 222 K C 1.990 178.556 176.600 -0.056 0.000 1.048 222 K CA 1.705 57.979 56.287 -0.022 0.000 0.932 222 K CB -0.249 32.242 32.500 -0.015 0.000 0.715 222 K HN 0.256 nan 8.250 nan 0.000 0.437 223 T N 2.385 116.900 114.554 -0.064 0.000 2.803 223 T HA -0.164 4.186 4.350 -0.001 0.000 0.269 223 T C 1.699 176.292 174.700 -0.179 0.000 1.052 223 T CA 1.156 63.197 62.100 -0.100 0.000 1.136 223 T CB -0.166 68.653 68.868 -0.081 0.000 0.864 223 T HN 0.154 nan 8.240 nan 0.000 0.467 224 L N 1.877 123.015 121.223 -0.143 0.000 2.046 224 L HA -0.027 4.313 4.340 -0.001 0.000 0.208 224 L C 1.979 178.626 176.870 -0.371 0.000 1.077 224 L CA 1.724 56.443 54.840 -0.202 0.000 0.747 224 L CB -0.661 41.340 42.059 -0.096 0.000 0.896 224 L HN 0.145 nan 8.230 nan 0.000 0.432 225 N N -0.255 118.308 118.700 -0.228 0.000 2.270 225 N HA -0.096 4.643 4.740 -0.001 0.000 0.181 225 N C 1.944 177.312 175.510 -0.237 0.000 1.016 225 N CA 1.663 54.591 53.050 -0.203 0.000 0.870 225 N CB -0.056 38.435 38.487 0.007 0.000 0.979 225 N HN 0.441 nan 8.380 nan 0.000 0.431 226 I N 1.144 121.589 120.570 -0.208 0.000 2.315 226 I HA -0.167 4.003 4.170 -0.001 0.000 0.248 226 I C 2.100 177.996 176.117 -0.367 0.000 1.117 226 I CA 0.816 62.006 61.300 -0.183 0.000 1.404 226 I CB -0.182 37.764 38.000 -0.090 0.000 1.071 226 I HN 0.026 nan 8.210 nan 0.000 0.419 227 I N 0.382 120.579 120.570 -0.621 0.000 2.226 227 I HA -0.279 3.891 4.170 -0.001 0.000 0.245 227 I C 2.203 177.978 176.117 -0.570 0.000 1.100 227 I CA 1.205 61.929 61.300 -0.960 0.000 1.374 227 I CB -0.160 37.379 38.000 -0.769 0.000 1.057 227 I HN 0.202 nan 8.210 nan 0.000 0.413 228 M N 0.216 119.441 119.600 -0.626 0.000 2.659 228 M HA 0.139 4.619 4.480 -0.001 0.000 0.243 228 M C 1.435 177.494 176.300 -0.402 0.000 1.111 228 M CA 0.766 55.616 55.300 -0.750 0.000 1.070 228 M CB -0.939 30.525 32.600 -1.893 0.000 1.525 228 M HN 0.477 nan 8.290 nan 0.000 0.517 229 G N 1.200 109.864 108.800 -0.225 0.000 2.132 229 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.234 229 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.234 229 G C 0.044 174.945 174.900 0.001 0.000 0.989 229 G CA 0.159 45.220 45.100 -0.065 0.000 0.676 229 G HN 0.449 nan 8.290 nan 0.000 0.522 230 N N 0.000 118.692 118.700 -0.014 0.000 1.763 230 N HA 0.000 4.740 4.740 -0.001 0.000 0.220 230 N CA 0.000 53.092 53.050 0.070 0.000 0.885 230 N CB 0.000 38.581 38.487 0.157 0.000 1.341 230 N HN 0.000 nan 8.380 nan 0.000 0.667