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 3lrc_1_D DATA FIRST_RESID 6 DATA SEQUENCE DAHKVGLIPV TLMVSGNIMG SGVFLLPANL ASTGGIAIYG WLVTIIGALG DATA SEQUENCE LSMVYAKMSF LDPSPGGSYA YARRCFGPFL GYQTNVLYWL ACWIGNIAMV DATA SEQUENCE VIGVGYLSYF FPILKDPLVL TITCVVVLWI FVLLNIVGPK MITRVQAVAT DATA SEQUENCE VLALIPIVGI AVFGWFWFRG ETYMAAWNVS GLGTFGAIQS TLNVTLWSFI DATA SEQUENCE GVESASVAAG VVKNPKRNVP IATIGGVLIA AVCYVLSTTA IMGMIPNXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXTAG AIVSFCAAAG CLGSLGGWTL LAGQTAKAAA DATA SEQUENCE DDGLFPPIFA RVNKAGTPVA GLIIVGILMT IFQLSSISPN ATKEFGLVSS DATA SEQUENCE VSVIFTLVPY LYTCAALLLL GHGHFGKARP AYLAVTTIAF LYCIWAVVGS DATA SEQUENCE GAKEVMWSFV TLMVITAMYA LNYNRLHKNP 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 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.317 176.300 0.028 0.000 2.045 6 D CA 0.000 54.014 54.000 0.023 0.000 0.868 6 D CB 0.000 40.815 40.800 0.025 0.000 0.688 7 A N 0.914 123.764 122.820 0.051 0.000 2.498 7 A HA 0.016 4.336 4.320 -0.000 0.000 0.238 7 A C 0.744 178.370 177.584 0.071 0.000 1.225 7 A CA -0.011 52.053 52.037 0.046 0.000 0.978 7 A CB 0.041 19.066 19.000 0.041 0.000 1.142 7 A HN 0.568 nan 8.150 nan 0.000 0.552 8 H N 0.606 119.677 119.070 0.002 0.000 2.610 8 H HA 0.220 4.775 4.556 -0.000 0.000 0.302 8 H C -0.305 175.026 175.328 0.005 0.000 1.063 8 H CA 0.337 56.388 56.048 0.005 0.000 1.159 8 H CB 0.231 29.997 29.762 0.006 0.000 1.427 8 H HN 0.121 nan 8.280 nan 0.000 0.553 9 K N 0.654 121.042 120.400 -0.019 0.000 2.619 9 K HA 0.155 4.474 4.320 -0.000 0.000 0.201 9 K C 0.296 176.872 176.600 -0.040 0.000 1.090 9 K CA -0.384 55.889 56.287 -0.024 0.000 1.063 9 K CB 0.663 33.171 32.500 0.014 0.000 0.810 9 K HN 0.068 nan 8.250 nan 0.000 0.506 10 V N -0.569 119.309 119.914 -0.060 0.000 3.755 10 V HA -0.149 3.971 4.120 -0.000 0.000 0.535 10 V C 0.597 176.676 176.094 -0.025 0.000 0.682 10 V CA 0.615 62.888 62.300 -0.045 0.000 2.097 10 V CB -1.182 30.616 31.823 -0.043 0.000 2.496 10 V HN 0.526 nan 8.190 nan 0.000 0.518 11 G N -1.320 107.469 108.800 -0.019 0.000 2.687 11 G HA2 0.688 4.648 3.960 -0.000 0.000 0.291 11 G HA3 0.688 4.648 3.960 -0.000 0.000 0.291 11 G C -0.141 174.754 174.900 -0.007 0.000 1.420 11 G CA -0.325 44.768 45.100 -0.012 0.000 0.796 11 G HN 1.577 nan 8.290 nan 0.000 0.485 12 L N 0.397 121.617 121.223 -0.004 0.000 2.021 12 L HA -0.122 4.218 4.340 -0.000 0.000 0.215 12 L C 2.692 179.564 176.870 0.003 0.000 1.074 12 L CA 1.975 56.816 54.840 0.001 0.000 0.760 12 L CB -0.469 41.592 42.059 0.004 0.000 0.889 12 L HN 0.621 nan 8.230 nan 0.000 0.433 13 I N -0.286 120.285 120.570 0.002 0.000 2.113 13 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 13 I C -0.443 175.676 176.117 0.003 0.000 1.064 13 I CA 1.785 63.087 61.300 0.003 0.000 1.320 13 I CB -1.552 36.450 38.000 0.003 0.000 1.028 13 I HN 0.356 nan 8.210 nan 0.000 0.406 14 P HA 0.059 nan 4.420 nan 0.000 0.255 14 P C 1.577 178.879 177.300 0.003 0.000 1.248 14 P CA 0.405 63.506 63.100 0.001 0.000 0.807 14 P CB 0.317 32.016 31.700 -0.002 0.000 1.150 15 V N 0.333 120.249 119.914 0.004 0.000 2.346 15 V HA -0.186 3.933 4.120 -0.000 0.000 0.244 15 V C 2.571 178.674 176.094 0.016 0.000 1.037 15 V CA 2.638 64.942 62.300 0.008 0.000 1.029 15 V CB -1.870 29.956 31.823 0.006 0.000 0.663 15 V HN 0.260 nan 8.190 nan 0.000 0.454 16 T N -1.134 113.430 114.554 0.016 0.000 2.788 16 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 16 T C 1.904 176.616 174.700 0.020 0.000 1.044 16 T CA 1.451 63.564 62.100 0.022 0.000 1.139 16 T CB -0.504 68.376 68.868 0.020 0.000 0.867 16 T HN 0.338 nan 8.240 nan 0.000 0.454 17 L N 0.208 121.439 121.223 0.012 0.000 2.046 17 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 17 L C 2.965 179.841 176.870 0.010 0.000 1.077 17 L CA 1.894 56.737 54.840 0.005 0.000 0.747 17 L CB -0.601 41.457 42.059 -0.000 0.000 0.896 17 L HN 0.345 nan 8.230 nan 0.000 0.432 18 M N -0.234 119.376 119.600 0.016 0.000 2.065 18 M HA -0.218 4.262 4.480 -0.000 0.000 0.259 18 M C 2.261 178.591 176.300 0.051 0.000 1.071 18 M CA 2.075 57.391 55.300 0.027 0.000 1.109 18 M CB -0.154 32.460 32.600 0.024 0.000 1.313 18 M HN 0.022 nan 8.290 nan 0.000 0.408 19 V N 0.127 120.071 119.914 0.051 0.000 2.287 19 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 19 V C 2.612 178.760 176.094 0.091 0.000 1.053 19 V CA 2.230 64.573 62.300 0.073 0.000 1.027 19 V CB -1.104 30.757 31.823 0.062 0.000 0.646 19 V HN 0.702 nan 8.190 nan 0.000 0.447 20 S N 0.446 116.183 115.700 0.062 0.000 2.345 20 S HA -0.081 4.389 4.470 -0.000 0.000 0.220 20 S C 1.953 176.569 174.600 0.026 0.000 1.031 20 S CA 1.476 59.705 58.200 0.048 0.000 0.996 20 S CB -0.629 62.579 63.200 0.013 0.000 0.882 20 S HN 0.630 nan 8.310 nan 0.000 0.445 21 G N 0.386 109.192 108.800 0.010 0.000 2.776 21 G HA2 -0.032 3.927 3.960 -0.000 0.000 0.209 21 G HA3 -0.032 3.927 3.960 -0.000 0.000 0.209 21 G C 1.015 175.917 174.900 0.004 0.000 1.145 21 G CA 0.282 45.371 45.100 -0.019 0.000 0.791 21 G HN 0.691 nan 8.290 nan 0.000 0.530 22 N N -0.599 118.153 118.700 0.087 0.000 2.325 22 N HA 0.146 4.885 4.740 -0.000 0.000 0.182 22 N C 1.503 177.114 175.510 0.169 0.000 1.088 22 N CA -0.087 53.071 53.050 0.180 0.000 0.879 22 N CB 0.286 39.026 38.487 0.420 0.000 0.983 22 N HN 0.326 nan 8.380 nan 0.000 0.471 23 I N -0.645 120.005 120.570 0.133 0.000 3.081 23 I HA 0.043 4.213 4.170 -0.000 0.000 0.274 23 I C 2.079 178.209 176.117 0.021 0.000 1.178 23 I CA 0.098 61.476 61.300 0.131 0.000 1.460 23 I CB -0.050 38.081 38.000 0.219 0.000 1.137 23 I HN -0.004 nan 8.210 nan 0.000 0.443 24 M N 1.661 121.226 119.600 -0.059 0.000 3.424 24 M HA -0.235 4.244 4.480 -0.000 0.000 0.284 24 M C 1.645 177.906 176.300 -0.066 0.000 1.045 24 M CA 2.687 57.895 55.300 -0.154 0.000 1.057 24 M CB -0.883 31.639 32.600 -0.130 0.000 1.202 24 M HN 0.410 nan 8.290 nan 0.000 0.584 25 G N -4.474 104.290 108.800 -0.059 0.000 3.989 25 G HA2 0.013 3.973 3.960 -0.000 0.000 0.183 25 G HA3 0.013 3.973 3.960 -0.000 0.000 0.183 25 G C 0.697 175.491 174.900 -0.177 0.000 0.892 25 G CA 0.485 45.517 45.100 -0.113 0.000 0.914 25 G HN 0.595 nan 8.290 nan 0.000 0.347 26 S N -0.340 115.246 115.700 -0.189 0.000 3.101 26 S HA 0.491 4.961 4.470 -0.000 0.000 0.252 26 S C 1.054 175.549 174.600 -0.175 0.000 0.920 26 S CA 1.130 59.168 58.200 -0.271 0.000 1.158 26 S CB 0.128 63.117 63.200 -0.353 0.000 1.125 26 S HN 1.257 nan 8.310 nan 0.000 0.608 27 G N -0.087 108.670 108.800 -0.071 0.000 2.801 27 G HA2 0.193 4.153 3.960 -0.000 0.000 0.191 27 G HA3 0.193 4.153 3.960 -0.000 0.000 0.191 27 G C 0.874 175.823 174.900 0.081 0.000 1.223 27 G CA 0.571 45.657 45.100 -0.023 0.000 0.904 27 G HN 0.282 nan 8.290 nan 0.000 0.789 28 V N 0.710 120.709 119.914 0.142 0.000 2.244 28 V HA 0.075 4.195 4.120 -0.000 0.000 0.244 28 V C 1.478 177.666 176.094 0.157 0.000 1.042 28 V CA 0.979 63.398 62.300 0.198 0.000 1.006 28 V CB -0.479 31.448 31.823 0.173 0.000 0.641 28 V HN 0.314 nan 8.190 nan 0.000 0.446 29 F N 0.360 120.358 119.950 0.081 0.000 2.626 29 F HA 0.245 4.772 4.527 -0.000 0.000 0.368 29 F C 0.848 176.713 175.800 0.110 0.000 1.227 29 F CA 0.660 58.718 58.000 0.097 0.000 1.302 29 F CB -0.232 38.859 39.000 0.152 0.000 1.733 29 F HN 0.019 nan 8.300 nan 0.000 0.672 30 L N 0.395 121.644 121.223 0.042 0.000 5.204 30 L HA -0.109 4.231 4.340 -0.000 0.000 0.544 30 L C 1.434 178.304 176.870 0.000 0.000 0.708 30 L CA 0.036 54.893 54.840 0.028 0.000 2.326 30 L CB -0.540 41.582 42.059 0.105 0.000 2.233 30 L HN 0.180 nan 8.230 nan 0.000 0.566 31 L N 1.210 122.447 121.223 0.022 0.000 1.989 31 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 31 L C -0.516 176.381 176.870 0.045 0.000 1.071 31 L CA 2.104 56.971 54.840 0.045 0.000 0.749 31 L CB -1.312 40.822 42.059 0.124 0.000 0.890 31 L HN 0.193 nan 8.230 nan 0.000 0.431 32 P HA -0.188 nan 4.420 nan 0.000 0.216 32 P C 1.442 178.732 177.300 -0.017 0.000 1.153 32 P CA 1.860 64.963 63.100 0.006 0.000 0.858 32 P CB -0.052 31.607 31.700 -0.068 0.000 0.789 33 A N -0.351 122.440 122.820 -0.047 0.000 1.940 33 A HA -0.240 4.080 4.320 -0.000 0.000 0.219 33 A C 2.058 179.638 177.584 -0.006 0.000 1.176 33 A CA 2.106 54.122 52.037 -0.035 0.000 0.631 33 A CB -1.538 17.436 19.000 -0.043 0.000 0.814 33 A HN 0.146 nan 8.150 nan 0.000 0.446 34 N N -0.301 118.401 118.700 0.004 0.000 2.396 34 N HA -0.031 4.709 4.740 -0.000 0.000 0.180 34 N C 0.733 176.243 175.510 0.001 0.000 1.028 34 N CA 1.145 54.203 53.050 0.015 0.000 0.893 34 N CB -0.214 38.288 38.487 0.024 0.000 0.967 34 N HN 0.504 nan 8.380 nan 0.000 0.440 35 L N -2.489 118.732 121.223 -0.002 0.000 2.872 35 L HA 0.584 4.924 4.340 -0.000 0.000 0.245 35 L C 1.275 178.147 176.870 0.003 0.000 1.211 35 L CA -0.368 54.467 54.840 -0.008 0.000 1.013 35 L CB -0.392 41.658 42.059 -0.015 0.000 1.326 35 L HN -0.141 nan 8.230 nan 0.000 0.525 36 A N 0.324 123.145 122.820 0.002 0.000 1.956 36 A HA 0.009 4.329 4.320 -0.000 0.000 0.212 36 A C 2.364 179.950 177.584 0.004 0.000 1.188 36 A CA 1.101 53.140 52.037 0.003 0.000 0.675 36 A CB -0.461 18.536 19.000 -0.005 0.000 0.845 36 A HN 0.498 nan 8.150 nan 0.000 0.455 37 S N 0.577 116.279 115.700 0.002 0.000 2.447 37 S HA -0.078 4.392 4.470 -0.000 0.000 0.233 37 S C 1.449 176.048 174.600 -0.002 0.000 1.006 37 S CA 1.212 59.413 58.200 0.002 0.000 0.957 37 S CB -1.401 61.802 63.200 0.004 0.000 0.773 37 S HN 0.756 nan 8.310 nan 0.000 0.507 38 T N -1.362 113.188 114.554 -0.006 0.000 2.887 38 T HA 0.511 4.861 4.350 -0.000 0.000 0.371 38 T C 1.585 176.283 174.700 -0.004 0.000 1.126 38 T CA 0.296 62.389 62.100 -0.012 0.000 1.043 38 T CB -0.532 68.321 68.868 -0.024 0.000 1.362 38 T HN 1.261 nan 8.240 nan 0.000 0.525 39 G N -1.008 107.789 108.800 -0.006 0.000 2.213 39 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.236 39 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.236 39 G C 0.609 175.491 174.900 -0.029 0.000 0.991 39 G CA 0.244 45.332 45.100 -0.020 0.000 0.629 39 G HN 1.358 nan 8.290 nan 0.000 0.517 40 G N 0.169 108.962 108.800 -0.013 0.000 2.460 40 G HA2 0.389 4.349 3.960 -0.000 0.000 0.230 40 G HA3 0.389 4.349 3.960 -0.000 0.000 0.230 40 G C 0.868 175.751 174.900 -0.028 0.000 1.248 40 G CA 0.463 45.560 45.100 -0.005 0.000 0.863 40 G HN 1.822 nan 8.290 nan 0.000 0.549 41 I N 0.320 120.884 120.570 -0.009 0.000 2.732 41 I HA -0.210 3.960 4.170 -0.000 0.000 0.127 41 I C 1.215 177.225 176.117 -0.179 0.000 0.882 41 I CA 1.094 62.369 61.300 -0.042 0.000 2.786 41 I CB -0.455 37.544 38.000 -0.002 0.000 0.553 41 I HN 2.242 nan 8.210 nan 0.000 0.352 42 A N 4.568 127.216 122.820 -0.287 0.000 2.822 42 A HA -0.240 4.080 4.320 -0.000 0.000 0.287 42 A C 1.035 178.577 177.584 -0.071 0.000 1.479 42 A CA 1.189 53.102 52.037 -0.207 0.000 0.779 42 A CB -2.222 16.709 19.000 -0.115 0.000 1.022 42 A HN 0.856 nan 8.150 nan 0.000 0.532 43 I N -1.503 119.014 120.570 -0.089 0.000 2.614 43 I HA -0.235 3.935 4.170 -0.000 0.000 0.258 43 I C 2.192 178.468 176.117 0.266 0.000 1.189 43 I CA 1.046 62.441 61.300 0.158 0.000 1.462 43 I CB -0.460 37.584 38.000 0.074 0.000 1.092 43 I HN 0.615 nan 8.210 nan 0.000 0.442 44 Y N 1.676 121.998 120.300 0.037 0.000 2.081 44 Y HA -0.215 4.334 4.550 -0.000 0.000 0.280 44 Y C 2.781 178.688 175.900 0.013 0.000 1.163 44 Y CA 0.962 59.068 58.100 0.010 0.000 1.135 44 Y CB -1.713 36.718 38.460 -0.047 0.000 0.970 44 Y HN 0.177 nan 8.280 nan 0.000 0.498 45 G N -0.886 107.986 108.800 0.120 0.000 2.606 45 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.221 45 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.221 45 G C 1.539 176.398 174.900 -0.068 0.000 1.152 45 G CA 1.316 46.384 45.100 -0.053 0.000 0.765 45 G HN 0.525 nan 8.290 nan 0.000 0.595 46 W N 0.046 121.383 121.300 0.062 0.000 2.355 46 W HA 0.041 4.700 4.660 -0.000 0.000 0.309 46 W C 2.493 179.072 176.519 0.101 0.000 1.206 46 W CA 0.422 57.810 57.345 0.072 0.000 1.284 46 W CB -0.555 28.937 29.460 0.053 0.000 1.145 46 W HN 0.075 nan 8.180 nan 0.000 0.502 47 L N 0.342 121.758 121.223 0.322 0.000 1.963 47 L HA -0.248 4.091 4.340 -0.000 0.000 0.220 47 L C 1.924 178.876 176.870 0.136 0.000 1.076 47 L CA 2.195 57.153 54.840 0.197 0.000 0.772 47 L CB -1.436 40.703 42.059 0.134 0.000 0.892 47 L HN -0.053 nan 8.230 nan 0.000 0.435 48 V N -0.640 119.324 119.914 0.084 0.000 2.379 48 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 48 V C 2.776 178.926 176.094 0.093 0.000 1.044 48 V CA 1.952 64.273 62.300 0.034 0.000 1.036 48 V CB -0.445 31.350 31.823 -0.046 0.000 0.664 48 V HN 0.591 nan 8.190 nan 0.000 0.453 49 T N -0.602 114.029 114.554 0.127 0.000 2.746 49 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 49 T C 1.785 176.700 174.700 0.358 0.000 1.039 49 T CA 1.696 63.931 62.100 0.225 0.000 1.142 49 T CB -0.227 68.719 68.868 0.131 0.000 0.866 49 T HN 0.348 nan 8.240 nan 0.000 0.444 50 I N 0.167 120.951 120.570 0.357 0.000 2.286 50 I HA -0.070 4.100 4.170 -0.000 0.000 0.245 50 I C 2.314 178.525 176.117 0.158 0.000 1.104 50 I CA 0.932 62.449 61.300 0.362 0.000 1.397 50 I CB -0.197 38.051 38.000 0.413 0.000 1.072 50 I HN 0.305 nan 8.210 nan 0.000 0.417 51 I N 0.555 121.198 120.570 0.120 0.000 2.099 51 I HA -0.282 3.888 4.170 -0.000 0.000 0.239 51 I C 2.579 178.698 176.117 0.002 0.000 1.066 51 I CA 2.004 63.333 61.300 0.047 0.000 1.324 51 I CB -0.823 37.196 38.000 0.032 0.000 1.037 51 I HN 0.274 nan 8.210 nan 0.000 0.401 52 G N -0.006 108.819 108.800 0.041 0.000 2.418 52 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 52 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 52 G C 1.818 176.559 174.900 -0.264 0.000 1.158 52 G CA 0.795 45.904 45.100 0.015 0.000 0.771 52 G HN 0.522 nan 8.290 nan 0.000 0.545 53 A N 0.456 123.061 122.820 -0.358 0.000 1.902 53 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 53 A C 2.370 179.593 177.584 -0.603 0.000 1.181 53 A CA 1.583 53.087 52.037 -0.888 0.000 0.623 53 A CB -0.508 18.003 19.000 -0.816 0.000 0.818 53 A HN 0.361 nan 8.150 nan 0.000 0.443 54 L N -0.058 120.967 121.223 -0.330 0.000 2.079 54 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 54 L C 2.517 179.278 176.870 -0.181 0.000 1.081 54 L CA 1.868 56.587 54.840 -0.200 0.000 0.752 54 L CB -0.668 41.346 42.059 -0.076 0.000 0.896 54 L HN 0.383 nan 8.230 nan 0.000 0.433 55 G N -0.839 107.851 108.800 -0.184 0.000 2.421 55 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.216 55 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.216 55 G C 1.664 176.443 174.900 -0.202 0.000 1.171 55 G CA 0.958 45.968 45.100 -0.150 0.000 0.775 55 G HN 0.386 nan 8.290 nan 0.000 0.543 56 L N 1.144 122.164 121.223 -0.337 0.000 2.046 56 L HA -0.132 4.207 4.340 -0.000 0.000 0.208 56 L C 3.317 180.029 176.870 -0.262 0.000 1.077 56 L CA 1.898 56.531 54.840 -0.344 0.000 0.747 56 L CB -0.279 41.459 42.059 -0.535 0.000 0.896 56 L HN 0.464 nan 8.230 nan 0.000 0.432 57 S N -0.617 114.926 115.700 -0.262 0.000 2.383 57 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 57 S C 1.998 176.555 174.600 -0.071 0.000 1.026 57 S CA 1.255 59.362 58.200 -0.155 0.000 0.981 57 S CB -0.347 62.764 63.200 -0.147 0.000 0.818 57 S HN 0.398 nan 8.310 nan 0.000 0.472 58 M N 0.690 120.238 119.600 -0.087 0.000 2.117 58 M HA -0.071 4.409 4.480 -0.000 0.000 0.262 58 M C 2.309 178.564 176.300 -0.075 0.000 1.065 58 M CA 1.465 56.730 55.300 -0.058 0.000 1.114 58 M CB -0.685 31.889 32.600 -0.042 0.000 1.361 58 M HN 0.287 nan 8.290 nan 0.000 0.408 59 V N -0.461 119.401 119.914 -0.086 0.000 2.219 59 V HA -0.348 3.771 4.120 -0.000 0.000 0.248 59 V C 2.004 178.057 176.094 -0.067 0.000 1.053 59 V CA 2.158 64.399 62.300 -0.098 0.000 1.009 59 V CB -0.844 30.921 31.823 -0.098 0.000 0.636 59 V HN 0.413 nan 8.190 nan 0.000 0.445 60 Y N -0.083 120.070 120.300 -0.246 0.000 2.207 60 Y HA -0.283 4.267 4.550 -0.000 0.000 0.287 60 Y C 2.462 178.260 175.900 -0.170 0.000 1.156 60 Y CA 1.052 59.001 58.100 -0.252 0.000 1.182 60 Y CB -0.342 37.986 38.460 -0.220 0.000 0.979 60 Y HN 0.287 nan 8.280 nan 0.000 0.521 61 A N 0.119 122.948 122.820 0.014 0.000 1.865 61 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 61 A C 1.905 179.493 177.584 0.008 0.000 1.191 61 A CA 2.023 54.069 52.037 0.015 0.000 0.623 61 A CB -0.432 18.576 19.000 0.013 0.000 0.826 61 A HN 0.214 nan 8.150 nan 0.000 0.444 62 K N -1.673 118.661 120.400 -0.110 0.000 2.444 62 K HA 0.260 4.580 4.320 -0.000 0.000 0.193 62 K C 1.447 177.955 176.600 -0.153 0.000 1.024 62 K CA 0.402 56.575 56.287 -0.191 0.000 1.077 62 K CB 0.052 32.242 32.500 -0.518 0.000 0.833 62 K HN 0.485 nan 8.250 nan 0.000 0.517 63 M N -0.215 119.268 119.600 -0.194 0.000 2.276 63 M HA -0.036 4.444 4.480 -0.000 0.000 0.262 63 M C 1.693 177.973 176.300 -0.032 0.000 1.098 63 M CA 1.349 56.505 55.300 -0.239 0.000 1.167 63 M CB -0.355 31.856 32.600 -0.648 0.000 1.337 63 M HN 0.111 nan 8.290 nan 0.000 0.446 64 S N -0.472 115.200 115.700 -0.046 0.000 2.469 64 S HA -0.158 4.312 4.470 -0.000 0.000 0.238 64 S C 1.951 176.579 174.600 0.045 0.000 0.998 64 S CA 0.817 59.051 58.200 0.056 0.000 0.957 64 S CB -1.462 61.748 63.200 0.016 0.000 0.764 64 S HN 0.509 nan 8.310 nan 0.000 0.514 65 F N 1.781 121.684 119.950 -0.079 0.000 2.236 65 F HA -0.011 4.516 4.527 -0.000 0.000 0.302 65 F C 1.653 177.413 175.800 -0.066 0.000 1.073 65 F CA 1.265 59.223 58.000 -0.071 0.000 1.336 65 F CB -0.049 38.896 39.000 -0.092 0.000 1.040 65 F HN 0.201 nan 8.300 nan 0.000 0.507 66 L N -1.064 120.214 121.223 0.093 0.000 2.496 66 L HA 0.073 4.413 4.340 -0.000 0.000 0.189 66 L C 0.285 177.133 176.870 -0.036 0.000 1.308 66 L CA 0.392 55.242 54.840 0.017 0.000 0.912 66 L CB -0.715 41.380 42.059 0.060 0.000 1.148 66 L HN -0.200 nan 8.230 nan 0.000 0.537 67 D N 1.946 122.352 120.400 0.010 0.000 2.557 67 D HA 0.172 4.812 4.640 -0.000 0.000 0.236 67 D C -2.417 173.805 176.300 -0.132 0.000 1.154 67 D CA -1.961 51.994 54.000 -0.075 0.000 0.985 67 D CB 0.731 41.469 40.800 -0.102 0.000 1.010 67 D HN -0.002 nan 8.370 nan 0.000 0.516 68 P HA 0.305 nan 4.420 nan 0.000 0.206 68 P C -0.436 176.791 177.300 -0.122 0.000 1.870 68 P CA -0.359 62.674 63.100 -0.112 0.000 1.166 68 P CB 0.816 32.479 31.700 -0.062 0.000 1.760 69 S N 0.890 116.497 115.700 -0.155 0.000 3.294 69 S HA 0.166 4.636 4.470 -0.000 0.000 0.195 69 S C -2.533 171.935 174.600 -0.220 0.000 0.943 69 S CA -0.184 57.860 58.200 -0.260 0.000 1.266 69 S CB -1.415 61.572 63.200 -0.355 0.000 1.152 69 S HN 0.211 nan 8.310 nan 0.000 0.386 70 P HA 0.677 nan 4.420 nan 0.000 0.285 70 P C 0.317 177.570 177.300 -0.078 0.000 1.448 70 P CA 0.157 63.197 63.100 -0.101 0.000 0.953 70 P CB 1.012 32.676 31.700 -0.060 0.000 1.175 71 G N 1.824 110.557 108.800 -0.112 0.000 2.574 71 G HA2 0.380 4.340 3.960 -0.000 0.000 0.158 71 G HA3 0.380 4.340 3.960 -0.000 0.000 0.158 71 G C 0.639 175.484 174.900 -0.093 0.000 1.494 71 G CA 0.453 45.515 45.100 -0.065 0.000 0.742 71 G HN 0.462 nan 8.290 nan 0.000 0.718 72 G N -0.043 108.699 108.800 -0.097 0.000 2.964 72 G HA2 0.290 4.249 3.960 -0.000 0.000 0.191 72 G HA3 0.290 4.249 3.960 -0.000 0.000 0.191 72 G C 1.167 176.029 174.900 -0.063 0.000 1.978 72 G CA 1.519 46.508 45.100 -0.184 0.000 0.861 72 G HN 1.280 nan 8.290 nan 0.000 0.584 73 S N -1.381 114.453 115.700 0.223 0.000 3.183 73 S HA -0.314 4.156 4.470 -0.000 0.000 0.380 73 S C 0.636 175.306 174.600 0.116 0.000 1.102 73 S CA 2.431 60.709 58.200 0.130 0.000 1.049 73 S CB -0.833 62.336 63.200 -0.051 0.000 0.896 73 S HN 1.375 nan 8.310 nan 0.000 0.534 74 Y N -2.841 117.410 120.300 -0.082 0.000 2.508 74 Y HA 0.447 4.997 4.550 0.000 0.000 0.292 74 Y C 1.535 177.295 175.900 -0.233 0.000 1.038 74 Y CA 0.721 58.738 58.100 -0.138 0.000 0.969 74 Y CB -0.709 37.629 38.460 -0.203 0.000 1.388 74 Y HN 0.139 nan 8.280 nan 0.000 0.570 75 A N 1.615 124.017 122.820 -0.698 0.000 1.881 75 A HA -0.267 4.053 4.320 -0.000 0.000 0.219 75 A C 1.689 178.807 177.584 -0.776 0.000 1.215 75 A CA 2.707 54.198 52.037 -0.909 0.000 0.648 75 A CB -1.720 16.661 19.000 -1.033 0.000 0.832 75 A HN 0.756 nan 8.150 nan 0.000 0.455 76 Y N -0.308 119.810 120.300 -0.303 0.000 2.497 76 Y HA 0.148 4.698 4.550 -0.000 0.000 0.292 76 Y C 2.701 178.497 175.900 -0.173 0.000 1.137 76 Y CA 0.377 58.350 58.100 -0.211 0.000 1.285 76 Y CB -0.777 37.576 38.460 -0.179 0.000 0.991 76 Y HN 0.310 nan 8.280 nan 0.000 0.556 77 A N 0.828 123.602 122.820 -0.076 0.000 1.930 77 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 77 A C 2.203 179.672 177.584 -0.191 0.000 1.175 77 A CA 1.000 53.003 52.037 -0.057 0.000 0.627 77 A CB -0.615 18.397 19.000 0.019 0.000 0.815 77 A HN 0.376 nan 8.150 nan 0.000 0.443 78 R N -0.692 119.563 120.500 -0.408 0.000 2.417 78 R HA -0.084 4.256 4.340 -0.000 0.000 0.220 78 R C 0.429 176.643 176.300 -0.143 0.000 1.128 78 R CA 1.119 56.994 56.100 -0.374 0.000 1.048 78 R CB -0.092 29.926 30.300 -0.470 0.000 0.835 78 R HN 0.549 nan 8.270 nan 0.000 0.483 79 R N -2.978 117.483 120.500 -0.065 0.000 2.504 79 R HA 0.059 4.399 4.340 -0.000 0.000 0.396 79 R C 1.168 177.495 176.300 0.044 0.000 0.896 79 R CA -0.171 55.943 56.100 0.022 0.000 1.152 79 R CB -0.382 29.930 30.300 0.020 0.000 1.681 79 R HN 0.071 nan 8.270 nan 0.000 0.537 80 C N -0.073 119.241 119.300 0.022 0.000 2.481 80 C HA 0.256 4.715 4.460 -0.000 0.000 0.275 80 C C 1.497 176.526 174.990 0.064 0.000 1.419 80 C CA 0.435 59.444 59.018 -0.015 0.000 1.773 80 C CB -0.647 26.998 27.740 -0.158 0.000 1.862 80 C HN 0.624 nan 8.230 nan 0.000 0.530 81 F N -0.809 119.091 119.950 -0.083 0.000 1.855 81 F HA 0.385 4.912 4.527 -0.000 0.000 0.228 81 F C 1.865 177.641 175.800 -0.040 0.000 1.236 81 F CA 0.569 58.545 58.000 -0.039 0.000 1.308 81 F CB 0.004 39.008 39.000 0.007 0.000 1.877 81 F HN -0.026 nan 8.300 nan 0.000 0.272 82 G N 0.335 109.244 108.800 0.183 0.000 3.528 82 G HA2 0.239 4.199 3.960 -0.000 0.000 0.266 82 G HA3 0.239 4.199 3.960 -0.000 0.000 0.266 82 G C -2.282 172.264 174.900 -0.591 0.000 1.004 82 G CA -0.462 44.554 45.100 -0.139 0.000 0.853 82 G HN 0.138 nan 8.290 nan 0.000 0.501 83 P HA -0.219 nan 4.420 nan 0.000 0.216 83 P C 1.599 178.649 177.300 -0.416 0.000 1.057 83 P CA 0.359 63.013 63.100 -0.743 0.000 0.932 83 P CB -0.139 31.090 31.700 -0.785 0.000 0.567 84 F N -0.004 119.737 119.950 -0.349 0.000 2.064 84 F HA -0.311 4.216 4.527 -0.000 0.000 0.292 84 F C 2.155 178.095 175.800 0.233 0.000 1.107 84 F CA 1.965 60.068 58.000 0.172 0.000 1.243 84 F CB -1.415 37.764 39.000 0.297 0.000 0.949 84 F HN -0.120 nan 8.300 nan 0.000 0.506 85 L N -0.031 121.225 121.223 0.055 0.000 2.079 85 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 85 L C 2.780 179.663 176.870 0.022 0.000 1.081 85 L CA 1.502 56.312 54.840 -0.049 0.000 0.752 85 L CB -1.494 40.672 42.059 0.178 0.000 0.896 85 L HN 0.520 nan 8.230 nan 0.000 0.433 86 G N -1.839 106.923 108.800 -0.063 0.000 2.453 86 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.215 86 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.215 86 G C 1.217 176.152 174.900 0.059 0.000 1.147 86 G CA 0.082 45.167 45.100 -0.025 0.000 0.802 86 G HN 0.216 nan 8.290 nan 0.000 0.535 87 Y N 0.780 121.126 120.300 0.078 0.000 2.263 87 Y HA -0.048 4.502 4.550 -0.000 0.000 0.292 87 Y C 2.898 178.838 175.900 0.066 0.000 1.130 87 Y CA 0.924 59.054 58.100 0.051 0.000 1.179 87 Y CB -0.505 37.974 38.460 0.033 0.000 0.998 87 Y HN 0.319 nan 8.280 nan 0.000 0.532 88 Q N 0.119 120.001 119.800 0.138 0.000 1.921 88 Q HA -0.230 4.110 4.340 -0.000 0.000 0.208 88 Q C 1.912 177.900 176.000 -0.020 0.000 0.994 88 Q CA 2.704 58.450 55.803 -0.093 0.000 0.857 88 Q CB -0.677 27.846 28.738 -0.358 0.000 0.925 88 Q HN 0.340 nan 8.270 nan 0.000 0.421 89 T N 1.355 115.933 114.554 0.040 0.000 2.701 89 T HA -0.284 4.066 4.350 -0.000 0.000 0.265 89 T C 1.516 176.268 174.700 0.087 0.000 1.032 89 T CA 1.843 63.987 62.100 0.073 0.000 1.158 89 T CB -0.630 68.346 68.868 0.181 0.000 0.854 89 T HN 0.465 nan 8.240 nan 0.000 0.463 90 N N 0.534 119.253 118.700 0.031 0.000 2.004 90 N HA -0.124 4.616 4.740 -0.000 0.000 0.196 90 N C 1.840 177.421 175.510 0.118 0.000 1.064 90 N CA 2.156 55.167 53.050 -0.065 0.000 0.855 90 N CB -0.683 37.541 38.487 -0.439 0.000 1.056 90 N HN 0.274 nan 8.380 nan 0.000 0.423 91 V N 1.652 121.625 119.914 0.098 0.000 2.250 91 V HA -0.283 3.837 4.120 -0.000 0.000 0.253 91 V C 2.404 178.670 176.094 0.288 0.000 1.065 91 V CA 2.282 64.754 62.300 0.287 0.000 1.039 91 V CB -1.479 30.451 31.823 0.180 0.000 0.647 91 V HN 0.576 nan 8.190 nan 0.000 0.446 92 L N -1.360 119.907 121.223 0.073 0.000 2.376 92 L HA -0.115 4.225 4.340 -0.000 0.000 0.219 92 L C 2.392 179.345 176.870 0.139 0.000 1.133 92 L CA 1.734 56.512 54.840 -0.103 0.000 0.816 92 L CB -0.375 41.441 42.059 -0.405 0.000 0.933 92 L HN 0.446 nan 8.230 nan 0.000 0.449 93 Y N -0.736 119.643 120.300 0.132 0.000 2.262 93 Y HA -0.157 4.392 4.550 -0.000 0.000 0.295 93 Y C 2.292 178.343 175.900 0.250 0.000 1.121 93 Y CA 1.361 59.568 58.100 0.179 0.000 1.144 93 Y CB -0.378 38.155 38.460 0.121 0.000 1.043 93 Y HN 0.311 nan 8.280 nan 0.000 0.528 94 W N 1.469 122.988 121.300 0.366 0.000 2.355 94 W HA -0.176 4.484 4.660 -0.001 0.000 0.309 94 W C 0.705 177.469 176.519 0.408 0.000 1.206 94 W CA 1.306 58.856 57.345 0.341 0.000 1.284 94 W CB -0.405 29.258 29.460 0.338 0.000 1.145 94 W HN 0.036 nan 8.180 nan 0.000 0.502 95 L N 1.634 123.169 121.223 0.520 0.000 2.436 95 L HA 0.286 4.626 4.340 -0.000 0.000 0.244 95 L C 0.508 177.385 176.870 0.013 0.000 1.396 95 L CA 1.007 55.980 54.840 0.223 0.000 1.217 95 L CB -0.573 41.788 42.059 0.503 0.000 1.420 95 L HN 0.274 nan 8.230 nan 0.000 0.434 96 A N 0.353 123.042 122.820 -0.219 0.000 2.410 96 A HA -0.025 4.295 4.320 -0.000 0.000 0.220 96 A C 1.032 178.545 177.584 -0.118 0.000 2.887 96 A CA 0.167 52.119 52.037 -0.143 0.000 1.569 96 A CB -1.265 17.803 19.000 0.114 0.000 0.172 96 A HN 0.535 nan 8.150 nan 0.000 0.550 97 C N -1.437 117.769 119.300 -0.157 0.000 2.464 97 C HA 0.261 4.720 4.460 -0.000 0.000 0.348 97 C C 1.999 177.053 174.990 0.107 0.000 1.367 97 C CA 1.314 60.329 59.018 -0.005 0.000 2.012 97 C CB -0.774 26.945 27.740 -0.036 0.000 2.434 97 C HN 0.999 nan 8.230 nan 0.000 0.536 98 W N 0.256 121.390 121.300 -0.276 0.000 2.872 98 W HA 0.366 5.026 4.660 -0.000 0.000 0.266 98 W C 1.595 177.985 176.519 -0.216 0.000 1.276 98 W CA 0.390 57.571 57.345 -0.273 0.000 1.471 98 W CB -0.580 28.587 29.460 -0.488 0.000 1.071 98 W HN 0.085 nan 8.180 nan 0.000 0.619 99 I N 1.803 121.618 120.570 -1.258 0.000 2.162 99 I HA -0.091 4.079 4.170 -0.000 0.000 0.238 99 I C 2.698 178.496 176.117 -0.531 0.000 1.076 99 I CA 1.823 62.454 61.300 -1.115 0.000 1.353 99 I CB -1.109 36.150 38.000 -1.235 0.000 1.063 99 I HN 0.244 nan 8.210 nan 0.000 0.408 100 G N 0.730 109.284 108.800 -0.409 0.000 2.532 100 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.222 100 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.222 100 G C 1.290 175.955 174.900 -0.392 0.000 1.102 100 G CA 1.056 45.922 45.100 -0.390 0.000 0.742 100 G HN 0.344 nan 8.290 nan 0.000 0.577 101 N N 0.643 119.191 118.700 -0.254 0.000 2.080 101 N HA -0.052 4.688 4.740 -0.000 0.000 0.189 101 N C 2.168 177.598 175.510 -0.134 0.000 1.036 101 N CA 0.946 53.891 53.050 -0.175 0.000 0.846 101 N CB -0.349 38.117 38.487 -0.035 0.000 1.015 101 N HN 0.386 nan 8.380 nan 0.000 0.423 102 I N 0.833 121.355 120.570 -0.081 0.000 2.248 102 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 102 I C 2.201 178.292 176.117 -0.044 0.000 1.107 102 I CA 1.174 62.476 61.300 0.003 0.000 1.373 102 I CB -0.370 37.720 38.000 0.149 0.000 1.055 102 I HN 0.093 nan 8.210 nan 0.000 0.418 103 A N 0.637 123.390 122.820 -0.112 0.000 1.877 103 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 103 A C 2.412 179.889 177.584 -0.179 0.000 1.186 103 A CA 1.551 53.500 52.037 -0.148 0.000 0.620 103 A CB -0.535 18.331 19.000 -0.224 0.000 0.822 103 A HN 0.302 nan 8.150 nan 0.000 0.443 104 M N 0.068 119.522 119.600 -0.242 0.000 2.149 104 M HA -0.162 4.318 4.480 -0.000 0.000 0.261 104 M C 2.168 178.366 176.300 -0.171 0.000 1.064 104 M CA 1.960 57.101 55.300 -0.266 0.000 1.102 104 M CB -0.850 31.542 32.600 -0.346 0.000 1.369 104 M HN 0.470 nan 8.290 nan 0.000 0.408 105 V N -3.472 116.384 119.914 -0.096 0.000 2.446 105 V HA -0.065 4.054 4.120 -0.000 0.000 0.244 105 V C 2.306 178.389 176.094 -0.017 0.000 1.039 105 V CA 0.792 63.073 62.300 -0.032 0.000 1.045 105 V CB -1.326 30.511 31.823 0.022 0.000 0.681 105 V HN 0.167 nan 8.190 nan 0.000 0.459 106 V N -0.017 119.883 119.914 -0.023 0.000 2.660 106 V HA -0.209 3.911 4.120 -0.000 0.000 0.257 106 V C 2.182 178.284 176.094 0.013 0.000 1.088 106 V CA 2.393 64.689 62.300 -0.006 0.000 1.106 106 V CB -0.376 31.436 31.823 -0.018 0.000 0.686 106 V HN 0.505 nan 8.190 nan 0.000 0.481 107 I N -0.940 119.626 120.570 -0.007 0.000 3.039 107 I HA 0.090 4.260 4.170 -0.000 0.000 0.270 107 I C 2.443 178.603 176.117 0.072 0.000 1.150 107 I CA 1.004 62.336 61.300 0.053 0.000 1.448 107 I CB -0.369 37.626 38.000 -0.009 0.000 1.197 107 I HN 0.347 nan 8.210 nan 0.000 0.450 108 G N 0.590 109.334 108.800 -0.092 0.000 2.432 108 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 108 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 108 G C 1.500 176.409 174.900 0.015 0.000 1.135 108 G CA 0.996 46.003 45.100 -0.154 0.000 0.767 108 G HN 0.270 nan 8.290 nan 0.000 0.550 109 V N 0.818 120.767 119.914 0.057 0.000 2.992 109 V HA 0.146 4.266 4.120 -0.000 0.000 0.250 109 V C 2.930 179.088 176.094 0.106 0.000 1.090 109 V CA 1.056 63.404 62.300 0.080 0.000 1.101 109 V CB -0.301 31.558 31.823 0.060 0.000 0.743 109 V HN 0.367 nan 8.190 nan 0.000 0.468 110 G N -1.121 107.756 108.800 0.128 0.000 2.535 110 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.218 110 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.218 110 G C 1.307 176.284 174.900 0.128 0.000 1.122 110 G CA 0.568 45.742 45.100 0.124 0.000 0.769 110 G HN 0.521 nan 8.290 nan 0.000 0.549 111 Y N -0.485 119.791 120.300 -0.039 0.000 2.475 111 Y HA 0.305 4.855 4.550 -0.000 0.000 0.289 111 Y C 2.080 177.915 175.900 -0.108 0.000 1.121 111 Y CA 0.261 58.302 58.100 -0.099 0.000 1.257 111 Y CB 0.398 38.767 38.460 -0.152 0.000 1.026 111 Y HN 0.054 nan 8.280 nan 0.000 0.555 112 L N -0.606 120.680 121.223 0.104 0.000 2.928 112 L HA 0.119 4.459 4.340 -0.000 0.000 0.246 112 L C 1.755 178.709 176.870 0.141 0.000 1.239 112 L CA 0.232 55.135 54.840 0.105 0.000 1.035 112 L CB -0.185 41.948 42.059 0.124 0.000 1.360 112 L HN 0.060 nan 8.230 nan 0.000 0.529 113 S N -0.472 115.308 115.700 0.132 0.000 2.537 113 S HA -0.048 4.422 4.470 -0.000 0.000 0.240 113 S C 0.361 175.030 174.600 0.115 0.000 0.981 113 S CA 1.015 59.280 58.200 0.107 0.000 0.948 113 S CB 0.016 63.289 63.200 0.121 0.000 0.759 113 S HN 0.431 nan 8.310 nan 0.000 0.531 114 Y N -1.697 118.762 120.300 0.264 0.000 2.974 114 Y HA 0.493 5.043 4.550 0.000 0.000 0.310 114 Y C -0.813 175.464 175.900 0.629 0.000 1.551 114 Y CA -1.648 56.657 58.100 0.340 0.000 1.084 114 Y CB 0.737 39.361 38.460 0.273 0.000 1.446 114 Y HN 0.042 nan 8.280 nan 0.000 0.472 115 F N 1.339 121.484 119.950 0.325 0.000 2.257 115 F HA -0.193 4.334 4.527 -0.001 0.000 0.431 115 F C -0.170 175.809 175.800 0.298 0.000 1.182 115 F CA 0.215 58.364 58.000 0.249 0.000 1.412 115 F CB -1.579 37.536 39.000 0.192 0.000 2.156 115 F HN 0.492 nan 8.300 nan 0.000 0.758 116 F N -0.573 119.476 119.950 0.166 0.000 2.180 116 F HA -0.319 4.208 4.527 0.000 0.000 0.317 116 F C -0.779 175.059 175.800 0.063 0.000 0.129 116 F CA 1.160 59.216 58.000 0.094 0.000 0.910 116 F CB -1.973 37.081 39.000 0.090 0.000 4.124 116 F HN 0.440 nan 8.300 nan 0.000 0.145 117 P HA -0.302 nan 4.420 nan 0.000 0.268 117 P C -0.203 177.010 177.300 -0.146 0.000 0.966 117 P CA 1.933 64.993 63.100 -0.067 0.000 1.122 117 P CB -0.211 31.509 31.700 0.033 0.000 0.816 118 I N -2.118 118.355 120.570 -0.162 0.000 7.683 118 I HA -0.289 3.881 4.170 -0.000 0.000 0.126 118 I C 0.808 176.764 176.117 -0.268 0.000 1.653 118 I CA 1.053 62.165 61.300 -0.312 0.000 2.302 118 I CB -1.013 36.566 38.000 -0.702 0.000 3.342 118 I HN 0.415 nan 8.210 nan 0.000 0.243 119 L N 3.830 124.938 121.223 -0.192 0.000 7.010 119 L HA -0.407 3.933 4.340 -0.000 0.000 0.053 119 L C 1.093 177.873 176.870 -0.151 0.000 1.604 119 L CA 1.070 55.825 54.840 -0.141 0.000 1.640 119 L CB -0.893 41.106 42.059 -0.100 0.000 2.749 119 L HN 0.939 nan 8.230 nan 0.000 1.088 120 K N 0.147 120.490 120.400 -0.095 0.000 3.096 120 K HA -0.199 4.121 4.320 -0.000 0.000 0.266 120 K C -0.260 176.313 176.600 -0.045 0.000 1.043 120 K CA 1.444 57.692 56.287 -0.064 0.000 0.758 120 K CB -1.668 30.787 32.500 -0.076 0.000 1.260 120 K HN 0.708 nan 8.250 nan 0.000 0.481 121 D N -2.783 117.596 120.400 -0.036 0.000 1.924 121 D HA 0.054 4.693 4.640 -0.000 0.000 0.371 121 D C -1.203 175.090 176.300 -0.012 0.000 1.086 121 D CA 0.131 54.121 54.000 -0.016 0.000 0.982 121 D CB -0.274 40.519 40.800 -0.013 0.000 1.872 121 D HN 0.220 nan 8.370 nan 0.000 0.543 122 P HA 0.252 nan 4.420 nan 0.000 0.338 122 P C 1.262 178.554 177.300 -0.013 0.000 1.417 122 P CA -0.309 62.783 63.100 -0.015 0.000 0.868 122 P CB 0.529 32.218 31.700 -0.019 0.000 2.131 123 L N -0.566 120.649 121.223 -0.013 0.000 2.552 123 L HA -0.040 4.300 4.340 -0.000 0.000 0.227 123 L C 2.013 178.878 176.870 -0.010 0.000 1.146 123 L CA 0.217 55.050 54.840 -0.011 0.000 0.858 123 L CB -0.290 41.763 42.059 -0.009 0.000 0.969 123 L HN -0.017 nan 8.230 nan 0.000 0.451 124 V N -0.237 119.668 119.914 -0.014 0.000 2.453 124 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 124 V C 2.336 178.426 176.094 -0.007 0.000 1.048 124 V CA 1.212 63.504 62.300 -0.014 0.000 1.049 124 V CB -0.178 31.629 31.823 -0.027 0.000 0.672 124 V HN 0.388 nan 8.190 nan 0.000 0.457 125 L N 0.314 121.532 121.223 -0.008 0.000 1.990 125 L HA -0.269 4.071 4.340 -0.000 0.000 0.213 125 L C 2.784 179.659 176.870 0.008 0.000 1.072 125 L CA 2.756 57.597 54.840 0.001 0.000 0.755 125 L CB -0.581 41.478 42.059 0.000 0.000 0.889 125 L HN 0.554 nan 8.230 nan 0.000 0.432 126 T N -1.116 113.439 114.554 0.003 0.000 2.737 126 T HA -0.207 4.143 4.350 -0.000 0.000 0.265 126 T C 1.785 176.497 174.700 0.021 0.000 1.038 126 T CA 1.359 63.463 62.100 0.006 0.000 1.144 126 T CB -0.202 68.662 68.868 -0.007 0.000 0.866 126 T HN 0.197 nan 8.240 nan 0.000 0.434 127 I N 1.100 121.680 120.570 0.016 0.000 2.454 127 I HA -0.051 4.118 4.170 -0.000 0.000 0.254 127 I C 2.578 178.715 176.117 0.033 0.000 1.156 127 I CA 1.349 62.663 61.300 0.023 0.000 1.433 127 I CB -0.438 37.568 38.000 0.010 0.000 1.082 127 I HN 0.309 nan 8.210 nan 0.000 0.432 128 T N -1.677 112.895 114.554 0.030 0.000 2.976 128 T HA -0.105 4.245 4.350 -0.000 0.000 0.257 128 T C 2.081 176.813 174.700 0.053 0.000 1.051 128 T CA 1.191 63.313 62.100 0.037 0.000 1.141 128 T CB -0.261 68.624 68.868 0.029 0.000 0.881 128 T HN 0.405 nan 8.240 nan 0.000 0.461 129 C N 0.833 120.164 119.300 0.052 0.000 2.425 129 C HA 0.002 4.462 4.460 -0.000 0.000 0.277 129 C C 2.722 177.767 174.990 0.091 0.000 1.280 129 C CA 0.305 59.361 59.018 0.063 0.000 1.744 129 C CB -1.070 26.697 27.740 0.043 0.000 1.989 129 C HN 0.352 nan 8.230 nan 0.000 0.491 130 V N 0.128 120.101 119.914 0.098 0.000 2.287 130 V HA -0.174 3.945 4.120 -0.000 0.000 0.248 130 V C 2.327 178.562 176.094 0.234 0.000 1.053 130 V CA 2.103 64.497 62.300 0.156 0.000 1.027 130 V CB -0.363 31.541 31.823 0.135 0.000 0.646 130 V HN 0.476 nan 8.190 nan 0.000 0.447 131 V N -0.922 119.086 119.914 0.157 0.000 3.129 131 V HA -0.067 4.052 4.120 -0.000 0.000 0.259 131 V C 2.160 178.325 176.094 0.119 0.000 1.116 131 V CA 0.979 63.370 62.300 0.152 0.000 1.127 131 V CB 0.702 32.562 31.823 0.062 0.000 0.742 131 V HN 0.400 nan 8.190 nan 0.000 0.474 132 V N -0.332 119.634 119.914 0.088 0.000 2.667 132 V HA -0.145 3.975 4.120 -0.000 0.000 0.252 132 V C 2.127 178.254 176.094 0.055 0.000 1.065 132 V CA 1.391 63.711 62.300 0.034 0.000 1.083 132 V CB -0.150 31.717 31.823 0.073 0.000 0.692 132 V HN 0.436 nan 8.190 nan 0.000 0.468 133 L N -1.677 119.626 121.223 0.133 0.000 1.988 133 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 133 L C 2.359 179.276 176.870 0.078 0.000 1.071 133 L CA 2.020 56.937 54.840 0.129 0.000 0.744 133 L CB -0.493 41.584 42.059 0.030 0.000 0.893 133 L HN 0.351 nan 8.230 nan 0.000 0.433 134 W N 0.069 121.388 121.300 0.032 0.000 2.359 134 W HA -0.205 4.455 4.660 0.001 0.000 0.275 134 W C 2.349 178.837 176.519 -0.051 0.000 1.217 134 W CA 0.759 58.112 57.345 0.012 0.000 1.196 134 W CB -0.399 29.063 29.460 0.003 0.000 1.129 134 W HN 0.108 nan 8.180 nan 0.000 0.566 135 I N -0.753 119.834 120.570 0.027 0.000 2.113 135 I HA -0.387 3.783 4.170 -0.000 0.000 0.242 135 I C 1.986 177.943 176.117 -0.266 0.000 1.064 135 I CA 1.693 62.846 61.300 -0.244 0.000 1.320 135 I CB -0.558 37.068 38.000 -0.623 0.000 1.028 135 I HN -0.085 nan 8.210 nan 0.000 0.406 136 F N -0.495 119.496 119.950 0.068 0.000 2.367 136 F HA -0.084 4.443 4.527 0.000 0.000 0.298 136 F C 2.315 178.137 175.800 0.037 0.000 1.094 136 F CA 0.530 58.555 58.000 0.042 0.000 1.409 136 F CB -1.178 37.836 39.000 0.022 0.000 1.064 136 F HN -0.174 nan 8.300 nan 0.000 0.528 137 V N -0.060 119.943 119.914 0.149 0.000 2.287 137 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 137 V C 2.385 178.558 176.094 0.132 0.000 1.053 137 V CA 1.630 63.973 62.300 0.072 0.000 1.027 137 V CB -0.599 31.162 31.823 -0.104 0.000 0.646 137 V HN 0.207 nan 8.190 nan 0.000 0.447 138 L N -0.800 120.526 121.223 0.171 0.000 2.093 138 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 138 L C 1.999 178.933 176.870 0.108 0.000 1.085 138 L CA 1.651 56.578 54.840 0.146 0.000 0.755 138 L CB -0.541 41.600 42.059 0.137 0.000 0.904 138 L HN 0.244 nan 8.230 nan 0.000 0.435 139 L N -0.640 120.646 121.223 0.105 0.000 2.622 139 L HA -0.078 4.262 4.340 -0.000 0.000 0.233 139 L C 1.651 178.597 176.870 0.126 0.000 1.156 139 L CA 0.434 55.342 54.840 0.114 0.000 0.866 139 L CB -0.580 41.561 42.059 0.138 0.000 0.980 139 L HN 0.442 nan 8.230 nan 0.000 0.448 140 N N 0.014 118.786 118.700 0.120 0.000 2.510 140 N HA 0.107 4.847 4.740 -0.000 0.000 0.186 140 N C 1.831 177.392 175.510 0.084 0.000 1.051 140 N CA 0.376 53.484 53.050 0.097 0.000 0.877 140 N CB 0.534 39.076 38.487 0.092 0.000 1.183 140 N HN 0.268 nan 8.380 nan 0.000 0.443 141 I N 1.309 121.934 120.570 0.092 0.000 2.657 141 I HA -0.170 4.000 4.170 -0.000 0.000 0.261 141 I C 1.813 177.981 176.117 0.085 0.000 1.212 141 I CA 0.720 62.073 61.300 0.089 0.000 1.453 141 I CB 0.029 38.090 38.000 0.101 0.000 1.092 141 I HN -0.074 nan 8.210 nan 0.000 0.452 142 V N 0.344 120.309 119.914 0.084 0.000 2.599 142 V HA 0.091 4.211 4.120 -0.000 0.000 0.245 142 V C 1.899 178.041 176.094 0.080 0.000 1.046 142 V CA 1.134 63.482 62.300 0.080 0.000 1.065 142 V CB -0.849 31.017 31.823 0.071 0.000 0.703 142 V HN 0.479 nan 8.190 nan 0.000 0.464 143 G N 1.067 109.907 108.800 0.066 0.000 2.522 143 G HA2 0.039 3.999 3.960 -0.000 0.000 0.223 143 G HA3 0.039 3.999 3.960 -0.000 0.000 0.223 143 G C -1.268 173.657 174.900 0.042 0.000 1.565 143 G CA 0.376 45.497 45.100 0.035 0.000 1.053 143 G HN 0.357 nan 8.290 nan 0.000 0.547 144 P HA 0.086 nan 4.420 nan 0.000 0.233 144 P C 1.396 178.673 177.300 -0.039 0.000 1.167 144 P CA 0.800 63.901 63.100 0.000 0.000 0.770 144 P CB 0.193 31.894 31.700 0.003 0.000 0.837 145 K N -0.672 119.658 120.400 -0.115 0.000 2.362 145 K HA -0.037 4.283 4.320 -0.000 0.000 0.200 145 K C 1.786 178.343 176.600 -0.071 0.000 1.046 145 K CA 0.730 56.935 56.287 -0.138 0.000 0.952 145 K CB -0.248 32.075 32.500 -0.295 0.000 0.753 145 K HN 0.004 nan 8.250 nan 0.000 0.466 146 M N 0.560 120.138 119.600 -0.036 0.000 2.248 146 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 146 M C 1.783 178.103 176.300 0.033 0.000 1.079 146 M CA 0.896 56.200 55.300 0.007 0.000 1.150 146 M CB -0.198 32.419 32.600 0.029 0.000 1.366 146 M HN 0.135 nan 8.290 nan 0.000 0.433 147 I N 0.440 121.036 120.570 0.044 0.000 2.394 147 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 147 I C 2.422 178.564 176.117 0.042 0.000 1.136 147 I CA 1.527 62.868 61.300 0.068 0.000 1.425 147 I CB -0.697 37.350 38.000 0.079 0.000 1.079 147 I HN 0.306 nan 8.210 nan 0.000 0.425 148 T N -0.736 113.829 114.554 0.018 0.000 2.904 148 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 148 T C 2.217 176.923 174.700 0.009 0.000 1.059 148 T CA 1.235 63.340 62.100 0.008 0.000 1.137 148 T CB -0.184 68.681 68.868 -0.004 0.000 0.879 148 T HN 0.298 nan 8.240 nan 0.000 0.467 149 R N -0.052 120.454 120.500 0.011 0.000 2.115 149 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 149 R C 2.323 178.641 176.300 0.029 0.000 1.111 149 R CA 1.138 57.247 56.100 0.015 0.000 0.976 149 R CB -0.282 30.026 30.300 0.012 0.000 0.870 149 R HN 0.317 nan 8.270 nan 0.000 0.445 150 V N 0.439 120.381 119.914 0.046 0.000 2.270 150 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 150 V C 2.302 178.419 176.094 0.038 0.000 1.043 150 V CA 2.032 64.372 62.300 0.067 0.000 1.014 150 V CB -0.514 31.384 31.823 0.125 0.000 0.645 150 V HN 0.366 nan 8.190 nan 0.000 0.447 151 Q N 0.077 119.887 119.800 0.016 0.000 2.124 151 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 151 Q C 2.141 178.135 176.000 -0.010 0.000 0.977 151 Q CA 2.043 57.838 55.803 -0.013 0.000 0.850 151 Q CB -0.428 28.301 28.738 -0.015 0.000 0.901 151 Q HN 0.623 nan 8.270 nan 0.000 0.429 152 A N -0.448 122.372 122.820 0.001 0.000 1.858 152 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 152 A C 2.219 179.804 177.584 0.002 0.000 1.190 152 A CA 1.850 53.888 52.037 0.001 0.000 0.617 152 A CB -1.051 17.952 19.000 0.005 0.000 0.827 152 A HN 0.290 nan 8.150 nan 0.000 0.443 153 V N -0.044 119.877 119.914 0.011 0.000 2.255 153 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 153 V C 3.030 179.129 176.094 0.009 0.000 1.051 153 V CA 2.165 64.476 62.300 0.018 0.000 1.018 153 V CB -1.583 30.258 31.823 0.031 0.000 0.641 153 V HN 0.616 nan 8.190 nan 0.000 0.445 154 A N 1.012 123.832 122.820 -0.000 0.000 1.933 154 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 154 A C 2.459 180.003 177.584 -0.065 0.000 1.175 154 A CA 2.573 54.591 52.037 -0.033 0.000 0.628 154 A CB -1.004 17.972 19.000 -0.040 0.000 0.814 154 A HN 0.670 nan 8.150 nan 0.000 0.444 155 T N -3.319 111.202 114.554 -0.055 0.000 2.942 155 T HA -0.011 4.339 4.350 -0.000 0.000 0.265 155 T C 1.574 176.247 174.700 -0.045 0.000 1.062 155 T CA 1.072 63.134 62.100 -0.063 0.000 1.139 155 T CB -0.466 68.368 68.868 -0.057 0.000 0.883 155 T HN 0.090 nan 8.240 nan 0.000 0.468 156 V N 0.644 120.543 119.914 -0.025 0.000 3.141 156 V HA 0.157 4.277 4.120 -0.000 0.000 0.265 156 V C 2.157 178.245 176.094 -0.009 0.000 1.126 156 V CA 0.814 63.106 62.300 -0.013 0.000 1.141 156 V CB -0.677 31.145 31.823 -0.001 0.000 0.743 156 V HN 0.518 nan 8.190 nan 0.000 0.492 157 L N -0.337 120.876 121.223 -0.016 0.000 2.068 157 L HA 0.058 4.398 4.340 -0.000 0.000 0.204 157 L C 2.474 179.318 176.870 -0.043 0.000 1.076 157 L CA 1.414 56.250 54.840 -0.008 0.000 0.753 157 L CB -0.520 41.536 42.059 -0.005 0.000 0.910 157 L HN 0.372 nan 8.230 nan 0.000 0.439 158 A N -0.744 122.026 122.820 -0.084 0.000 2.235 158 A HA 0.006 4.326 4.320 -0.000 0.000 0.208 158 A C 2.026 179.581 177.584 -0.049 0.000 1.172 158 A CA 0.593 52.577 52.037 -0.089 0.000 0.786 158 A CB -0.346 18.580 19.000 -0.124 0.000 0.804 158 A HN 0.386 nan 8.150 nan 0.000 0.479 159 L N -0.825 120.376 121.223 -0.037 0.000 2.307 159 L HA 0.003 4.343 4.340 -0.000 0.000 0.211 159 L C 2.151 179.014 176.870 -0.012 0.000 1.099 159 L CA 0.371 55.196 54.840 -0.026 0.000 0.816 159 L CB -0.329 41.717 42.059 -0.022 0.000 0.952 159 L HN 0.390 nan 8.230 nan 0.000 0.455 160 I N 0.453 121.017 120.570 -0.011 0.000 2.091 160 I HA -0.260 3.910 4.170 -0.000 0.000 0.239 160 I C -0.231 175.879 176.117 -0.013 0.000 1.061 160 I CA 1.700 62.991 61.300 -0.016 0.000 1.317 160 I CB -1.841 36.154 38.000 -0.008 0.000 1.031 160 I HN 0.200 nan 8.210 nan 0.000 0.401 161 P HA -0.196 nan 4.420 nan 0.000 0.211 161 P C 1.875 179.205 177.300 0.049 0.000 1.181 161 P CA 1.809 64.933 63.100 0.040 0.000 0.929 161 P CB -0.093 31.648 31.700 0.067 0.000 0.789 162 I N -1.153 119.444 120.570 0.045 0.000 2.099 162 I HA -0.214 3.956 4.170 -0.000 0.000 0.239 162 I C 2.254 178.391 176.117 0.034 0.000 1.066 162 I CA 1.552 62.872 61.300 0.033 0.000 1.324 162 I CB -1.354 36.645 38.000 -0.001 0.000 1.037 162 I HN -0.202 nan 8.210 nan 0.000 0.401 163 V N 1.711 121.640 119.914 0.025 0.000 2.469 163 V HA -0.209 3.911 4.120 -0.000 0.000 0.251 163 V C 2.659 178.819 176.094 0.110 0.000 1.064 163 V CA 2.073 64.404 62.300 0.051 0.000 1.066 163 V CB -1.603 30.242 31.823 0.037 0.000 0.667 163 V HN 0.623 nan 8.190 nan 0.000 0.461 164 G N 0.446 109.287 108.800 0.069 0.000 2.418 164 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 164 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 164 G C 1.482 176.512 174.900 0.217 0.000 1.158 164 G CA 1.057 46.189 45.100 0.053 0.000 0.771 164 G HN 0.562 nan 8.290 nan 0.000 0.545 165 I N 1.273 121.939 120.570 0.161 0.000 2.676 165 I HA 0.031 4.201 4.170 -0.000 0.000 0.259 165 I C 3.117 179.364 176.117 0.217 0.000 1.194 165 I CA 0.532 61.945 61.300 0.188 0.000 1.473 165 I CB -0.167 37.889 38.000 0.093 0.000 1.096 165 I HN 0.200 nan 8.210 nan 0.000 0.443 166 A N 1.059 123.987 122.820 0.179 0.000 1.851 166 A HA -0.133 4.187 4.320 -0.000 0.000 0.216 166 A C 2.412 180.150 177.584 0.257 0.000 1.195 166 A CA 2.205 54.331 52.037 0.149 0.000 0.622 166 A CB -0.840 18.207 19.000 0.078 0.000 0.831 166 A HN 0.212 nan 8.150 nan 0.000 0.444 167 V N -2.036 118.082 119.914 0.340 0.000 2.403 167 V HA -0.033 4.087 4.120 -0.000 0.000 0.239 167 V C 2.256 178.702 176.094 0.586 0.000 1.041 167 V CA 1.323 63.913 62.300 0.483 0.000 1.051 167 V CB -1.050 30.981 31.823 0.346 0.000 0.704 167 V HN 0.519 nan 8.190 nan 0.000 0.472 168 F N 1.800 121.946 119.950 0.327 0.000 2.095 168 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 168 F C 2.464 178.470 175.800 0.343 0.000 1.104 168 F CA 1.776 59.945 58.000 0.282 0.000 1.232 168 F CB -0.930 38.189 39.000 0.197 0.000 0.987 168 F HN 0.250 nan 8.300 nan 0.000 0.475 169 G N -1.384 107.714 108.800 0.497 0.000 2.471 169 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 169 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 169 G C 1.270 176.430 174.900 0.432 0.000 1.125 169 G CA 0.504 45.843 45.100 0.398 0.000 0.775 169 G HN 0.581 nan 8.290 nan 0.000 0.548 170 W N 0.230 121.684 121.300 0.258 0.000 2.467 170 W HA 0.239 4.899 4.660 -0.000 0.000 0.275 170 W C 1.585 178.253 176.519 0.249 0.000 1.239 170 W CA 0.268 57.741 57.345 0.214 0.000 1.266 170 W CB -0.231 29.320 29.460 0.153 0.000 1.112 170 W HN 0.069 nan 8.180 nan 0.000 0.576 171 F N -1.117 118.707 119.950 -0.210 0.000 2.473 171 F HA 0.109 4.636 4.527 -0.000 0.000 0.294 171 F C 1.889 177.640 175.800 -0.081 0.000 1.103 171 F CA 0.800 58.545 58.000 -0.424 0.000 1.442 171 F CB -0.445 38.287 39.000 -0.446 0.000 1.097 171 F HN -0.113 nan 8.300 nan 0.000 0.547 172 W N -0.064 121.332 121.300 0.159 0.000 1.174 172 W HA 0.036 4.696 4.660 -0.000 0.000 0.282 172 W C 0.218 176.863 176.519 0.210 0.000 0.682 172 W CA -0.022 57.448 57.345 0.209 0.000 0.915 172 W CB -0.721 28.905 29.460 0.277 0.000 1.114 172 W HN -0.374 nan 8.180 nan 0.000 0.562 173 F N 2.644 123.075 119.950 0.802 0.000 2.623 173 F HA -0.102 4.425 4.527 -0.000 0.000 0.386 173 F C 0.854 176.846 175.800 0.320 0.000 1.068 173 F CA 0.888 59.156 58.000 0.447 0.000 1.265 173 F CB 0.130 39.315 39.000 0.307 0.000 1.026 173 F HN 0.156 nan 8.300 nan 0.000 0.568 174 R N 2.482 123.126 120.500 0.240 0.000 2.448 174 R HA -0.155 4.185 4.340 -0.000 0.000 0.336 174 R C 0.264 176.332 176.300 -0.386 0.000 1.038 174 R CA 0.369 56.431 56.100 -0.063 0.000 0.804 174 R CB -1.480 28.761 30.300 -0.099 0.000 2.350 174 R HN 1.083 nan 8.270 nan 0.000 0.484 175 G N 1.377 109.879 108.800 -0.497 0.000 3.768 175 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.109 175 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.109 175 G C 0.196 174.943 174.900 -0.255 0.000 1.126 175 G CA -0.122 44.849 45.100 -0.216 0.000 1.143 175 G HN 0.315 nan 8.290 nan 0.000 0.407 176 E N 1.157 121.227 120.200 -0.215 0.000 2.465 176 E HA 0.147 4.496 4.350 -0.000 0.000 0.191 176 E C 1.901 178.390 176.600 -0.184 0.000 1.053 176 E CA 0.487 56.813 56.400 -0.124 0.000 0.869 176 E CB 0.351 30.012 29.700 -0.066 0.000 0.977 176 E HN 0.378 nan 8.360 nan 0.000 0.483 177 T N 0.359 114.682 114.554 -0.386 0.000 2.746 177 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 177 T C 1.468 176.085 174.700 -0.139 0.000 1.039 177 T CA 1.259 63.187 62.100 -0.286 0.000 1.142 177 T CB -0.354 68.321 68.868 -0.322 0.000 0.866 177 T HN 0.385 nan 8.240 nan 0.000 0.444 178 Y N 0.836 121.217 120.300 0.135 0.000 2.224 178 Y HA 0.013 4.563 4.550 -0.000 0.000 0.289 178 Y C 2.648 178.656 175.900 0.180 0.000 1.146 178 Y CA 0.563 58.749 58.100 0.142 0.000 1.182 178 Y CB -0.606 37.934 38.460 0.132 0.000 0.983 178 Y HN 0.097 nan 8.280 nan 0.000 0.524 179 M N 0.397 120.163 119.600 0.277 0.000 2.296 179 M HA -0.143 4.337 4.480 -0.000 0.000 0.265 179 M C 2.260 178.675 176.300 0.193 0.000 1.064 179 M CA 1.498 56.982 55.300 0.306 0.000 1.109 179 M CB -0.070 32.634 32.600 0.174 0.000 1.396 179 M HN 0.367 nan 8.290 nan 0.000 0.430 180 A N 0.049 122.929 122.820 0.100 0.000 1.872 180 A HA 0.014 4.334 4.320 -0.000 0.000 0.214 180 A C 2.232 179.887 177.584 0.118 0.000 1.187 180 A CA 1.617 53.688 52.037 0.056 0.000 0.614 180 A CB -0.997 18.008 19.000 0.008 0.000 0.826 180 A HN 0.594 nan 8.150 nan 0.000 0.442 181 A N -2.597 120.318 122.820 0.160 0.000 1.968 181 A HA 0.200 4.520 4.320 -0.000 0.000 0.217 181 A C 0.870 178.608 177.584 0.256 0.000 1.169 181 A CA 0.852 52.992 52.037 0.171 0.000 0.638 181 A CB -0.660 18.433 19.000 0.155 0.000 0.812 181 A HN 0.782 nan 8.150 nan 0.000 0.446 182 W N -0.053 121.277 121.300 0.051 0.000 2.732 182 W HA -0.313 4.347 4.660 -0.000 0.000 0.222 182 W C 0.766 177.294 176.519 0.015 0.000 0.698 182 W CA 1.170 58.535 57.345 0.033 0.000 0.939 182 W CB -0.865 28.607 29.460 0.020 0.000 1.049 182 W HN 0.445 nan 8.180 nan 0.000 0.430 183 N N -0.143 118.445 118.700 -0.186 0.000 2.125 183 N HA 0.196 4.936 4.740 -0.000 0.000 0.241 183 N C 0.565 176.075 175.510 -0.000 0.000 1.273 183 N CA 1.491 54.400 53.050 -0.235 0.000 0.947 183 N CB -1.143 37.037 38.487 -0.512 0.000 1.036 183 N HN 0.519 nan 8.380 nan 0.000 0.409 184 V N -1.034 118.883 119.914 0.007 0.000 3.859 184 V HA -0.338 3.782 4.120 -0.000 0.000 0.548 184 V C 1.247 177.364 176.094 0.038 0.000 0.687 184 V CA 1.026 63.364 62.300 0.063 0.000 2.116 184 V CB -1.501 30.402 31.823 0.134 0.000 2.502 184 V HN 0.850 nan 8.190 nan 0.000 0.523 185 S N -1.707 114.019 115.700 0.044 0.000 1.539 185 S HA -0.226 4.244 4.470 -0.000 0.000 0.239 185 S C 1.081 175.692 174.600 0.017 0.000 0.755 185 S CA 1.972 60.189 58.200 0.029 0.000 1.322 185 S CB -1.492 61.724 63.200 0.025 0.000 1.628 185 S HN 2.591 nan 8.310 nan 0.000 0.515 186 G N 1.333 110.138 108.800 0.008 0.000 2.554 186 G HA2 0.406 4.366 3.960 -0.000 0.000 0.238 186 G HA3 0.406 4.366 3.960 -0.000 0.000 0.238 186 G C 0.208 175.119 174.900 0.019 0.000 1.259 186 G CA -0.340 44.763 45.100 0.004 0.000 0.843 186 G HN 0.555 nan 8.290 nan 0.000 0.582 187 L N 2.061 123.297 121.223 0.022 0.000 2.919 187 L HA 0.368 4.708 4.340 -0.000 0.000 0.242 187 L C 1.256 178.159 176.870 0.055 0.000 1.366 187 L CA 0.382 55.242 54.840 0.033 0.000 1.212 187 L CB -1.744 40.329 42.059 0.023 0.000 1.604 187 L HN 0.971 nan 8.230 nan 0.000 0.433 188 G N 0.058 108.894 108.800 0.059 0.000 2.690 188 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.686 188 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.686 188 G C 0.580 175.535 174.900 0.091 0.000 1.277 188 G CA -0.278 44.874 45.100 0.088 0.000 0.799 188 G HN 0.381 nan 8.290 nan 0.000 0.613 189 T N -1.333 113.280 114.554 0.099 0.000 2.652 189 T HA -0.084 4.266 4.350 -0.000 0.000 0.267 189 T C 1.532 176.269 174.700 0.062 0.000 1.039 189 T CA 1.737 63.873 62.100 0.061 0.000 1.153 189 T CB -0.211 68.683 68.868 0.045 0.000 0.863 189 T HN 0.835 nan 8.240 nan 0.000 0.428 190 F N 3.285 123.260 119.950 0.042 0.000 2.495 190 F HA 0.371 4.898 4.527 -0.000 0.000 0.339 190 F C 1.751 177.574 175.800 0.038 0.000 1.226 190 F CA 0.816 58.840 58.000 0.040 0.000 0.998 190 F CB -0.728 38.292 39.000 0.033 0.000 1.180 190 F HN 0.563 nan 8.300 nan 0.000 0.611 191 G N 1.743 110.633 108.800 0.151 0.000 2.234 191 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.235 191 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.235 191 G C 1.341 176.284 174.900 0.071 0.000 0.997 191 G CA 0.230 45.403 45.100 0.122 0.000 0.623 191 G HN 0.893 nan 8.290 nan 0.000 0.514 192 A N 0.329 123.186 122.820 0.061 0.000 1.917 192 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 192 A C 2.296 179.886 177.584 0.010 0.000 1.182 192 A CA 2.235 54.288 52.037 0.027 0.000 0.633 192 A CB -0.382 18.628 19.000 0.016 0.000 0.819 192 A HN 0.922 nan 8.150 nan 0.000 0.448 193 I N 0.032 120.617 120.570 0.025 0.000 2.194 193 I HA -0.341 3.829 4.170 -0.000 0.000 0.246 193 I C 2.652 178.779 176.117 0.015 0.000 1.093 193 I CA 1.711 63.025 61.300 0.023 0.000 1.355 193 I CB -0.457 37.565 38.000 0.036 0.000 1.046 193 I HN 0.409 nan 8.210 nan 0.000 0.413 194 Q N -0.064 119.764 119.800 0.047 0.000 2.133 194 Q HA -0.284 4.055 4.340 -0.000 0.000 0.208 194 Q C 2.390 178.375 176.000 -0.026 0.000 0.991 194 Q CA 2.326 58.152 55.803 0.038 0.000 0.867 194 Q CB -0.419 28.339 28.738 0.033 0.000 0.911 194 Q HN 0.715 nan 8.270 nan 0.000 0.417 195 S N -0.563 115.117 115.700 -0.034 0.000 2.442 195 S HA -0.111 4.359 4.470 -0.000 0.000 0.236 195 S C 1.841 176.393 174.600 -0.081 0.000 1.007 195 S CA 1.461 59.629 58.200 -0.055 0.000 0.965 195 S CB -0.294 62.881 63.200 -0.041 0.000 0.773 195 S HN 0.456 nan 8.310 nan 0.000 0.504 196 T N 0.809 115.302 114.554 -0.102 0.000 2.988 196 T HA 0.312 4.662 4.350 -0.000 0.000 0.240 196 T C 1.828 176.391 174.700 -0.228 0.000 1.014 196 T CA 0.239 62.226 62.100 -0.188 0.000 1.155 196 T CB -0.726 68.010 68.868 -0.222 0.000 0.872 196 T HN 0.246 nan 8.240 nan 0.000 0.440 197 L N 1.745 122.880 121.223 -0.146 0.000 2.081 197 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 197 L C 2.536 179.351 176.870 -0.091 0.000 1.080 197 L CA 1.545 56.324 54.840 -0.101 0.000 0.754 197 L CB -0.672 41.406 42.059 0.031 0.000 0.893 197 L HN 0.312 nan 8.230 nan 0.000 0.433 198 N N -0.790 117.851 118.700 -0.097 0.000 2.609 198 N HA -0.099 4.641 4.740 -0.000 0.000 0.190 198 N C 0.724 176.151 175.510 -0.137 0.000 1.157 198 N CA 0.661 53.620 53.050 -0.151 0.000 0.918 198 N CB 0.316 38.697 38.487 -0.176 0.000 0.978 198 N HN 0.138 nan 8.380 nan 0.000 0.448 199 V N -1.939 117.935 119.914 -0.066 0.000 3.392 199 V HA 0.116 4.236 4.120 -0.000 0.000 0.294 199 V C 1.163 177.205 176.094 -0.087 0.000 1.561 199 V CA 0.722 63.060 62.300 0.063 0.000 1.056 199 V CB 0.441 32.284 31.823 0.033 0.000 0.882 199 V HN 0.357 nan 8.190 nan 0.000 0.440 200 T N -2.364 112.042 114.554 -0.246 0.000 3.001 200 T HA 0.244 4.594 4.350 -0.000 0.000 0.251 200 T C 1.369 175.992 174.700 -0.129 0.000 1.040 200 T CA 0.250 62.082 62.100 -0.446 0.000 0.985 200 T CB 0.692 69.013 68.868 -0.911 0.000 1.011 200 T HN 0.155 nan 8.240 nan 0.000 0.509 201 L N 1.597 122.811 121.223 -0.015 0.000 2.129 201 L HA 0.294 4.634 4.340 -0.000 0.000 0.200 201 L C 2.123 179.060 176.870 0.111 0.000 1.159 201 L CA 1.157 55.992 54.840 -0.009 0.000 0.795 201 L CB -1.029 40.959 42.059 -0.118 0.000 0.951 201 L HN 0.597 nan 8.230 nan 0.000 0.463 202 W N 0.046 121.251 121.300 -0.157 0.000 2.782 202 W HA -0.037 4.623 4.660 -0.000 0.000 0.248 202 W C 1.078 177.541 176.519 -0.093 0.000 1.265 202 W CA 0.832 58.100 57.345 -0.129 0.000 1.316 202 W CB -1.747 27.633 29.460 -0.133 0.000 1.140 202 W HN 0.493 nan 8.180 nan 0.000 0.665 203 S N -1.791 113.861 115.700 -0.080 0.000 2.749 203 S HA 0.172 4.642 4.470 -0.000 0.000 0.246 203 S C 0.637 175.233 174.600 -0.008 0.000 1.023 203 S CA -0.443 57.617 58.200 -0.233 0.000 1.012 203 S CB -1.028 61.996 63.200 -0.294 0.000 0.942 203 S HN 0.021 nan 8.310 nan 0.000 0.531 204 F N 2.085 122.076 119.950 0.070 0.000 2.721 204 F HA 0.537 5.064 4.527 -0.000 0.000 0.301 204 F C 0.562 176.478 175.800 0.193 0.000 1.096 204 F CA -2.026 56.105 58.000 0.218 0.000 1.308 204 F CB -0.090 39.108 39.000 0.330 0.000 1.086 204 F HN 0.170 nan 8.300 nan 0.000 0.587 205 I N 0.684 121.451 120.570 0.329 0.000 3.015 205 I HA -0.036 4.134 4.170 -0.000 0.000 0.309 205 I C 1.336 177.692 176.117 0.399 0.000 1.229 205 I CA 1.811 63.283 61.300 0.286 0.000 1.430 205 I CB -0.294 37.808 38.000 0.170 0.000 1.347 205 I HN 0.440 nan 8.210 nan 0.000 0.544 206 G N 3.597 112.665 108.800 0.445 0.000 3.617 206 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.217 206 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.217 206 G C 0.772 175.812 174.900 0.233 0.000 0.967 206 G CA 0.039 45.360 45.100 0.369 0.000 0.878 206 G HN 0.500 nan 8.290 nan 0.000 0.439 207 V N 1.378 121.406 119.914 0.189 0.000 2.613 207 V HA -0.248 3.872 4.120 -0.000 0.000 0.259 207 V C 2.515 178.590 176.094 -0.030 0.000 1.099 207 V CA 2.874 65.189 62.300 0.026 0.000 1.115 207 V CB -1.092 30.656 31.823 -0.125 0.000 0.686 207 V HN 0.790 nan 8.190 nan 0.000 0.481 208 E N 2.660 122.812 120.200 -0.080 0.000 2.058 208 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 208 E C 2.171 178.836 176.600 0.108 0.000 0.997 208 E CA 1.917 58.344 56.400 0.046 0.000 0.801 208 E CB -0.913 28.796 29.700 0.015 0.000 0.746 208 E HN 0.744 nan 8.360 nan 0.000 0.450 209 S N 2.138 117.872 115.700 0.057 0.000 2.409 209 S HA -0.306 4.164 4.470 -0.000 0.000 0.237 209 S C 2.279 176.898 174.600 0.032 0.000 1.060 209 S CA 1.521 59.732 58.200 0.019 0.000 1.052 209 S CB -0.711 62.499 63.200 0.018 0.000 0.871 209 S HN 0.536 nan 8.310 nan 0.000 0.465 210 A N 1.727 124.582 122.820 0.059 0.000 1.841 210 A HA -0.013 4.307 4.320 -0.000 0.000 0.214 210 A C 2.298 179.905 177.584 0.038 0.000 1.195 210 A CA 1.864 53.930 52.037 0.047 0.000 0.611 210 A CB -1.320 17.714 19.000 0.057 0.000 0.835 210 A HN 0.593 nan 8.150 nan 0.000 0.443 211 S N -0.846 114.894 115.700 0.067 0.000 2.653 211 S HA 0.047 4.517 4.470 -0.000 0.000 0.233 211 S C 1.033 175.637 174.600 0.006 0.000 0.970 211 S CA 1.035 59.252 58.200 0.027 0.000 0.947 211 S CB -0.362 62.805 63.200 -0.055 0.000 0.771 211 S HN 0.241 nan 8.310 nan 0.000 0.538 212 V N 0.352 120.267 119.914 0.002 0.000 3.645 212 V HA 0.371 4.491 4.120 -0.000 0.000 0.275 212 V C 2.301 178.373 176.094 -0.037 0.000 1.356 212 V CA 0.673 62.947 62.300 -0.043 0.000 1.051 212 V CB -0.036 31.742 31.823 -0.075 0.000 0.828 212 V HN 0.516 nan 8.190 nan 0.000 0.441 213 A N 0.336 123.144 122.820 -0.020 0.000 1.878 213 A HA 0.273 4.592 4.320 -0.000 0.000 0.213 213 A C 2.307 179.876 177.584 -0.025 0.000 1.192 213 A CA 1.722 53.748 52.037 -0.018 0.000 0.619 213 A CB -0.584 18.411 19.000 -0.008 0.000 0.837 213 A HN 0.760 nan 8.150 nan 0.000 0.446 214 A N -0.916 121.886 122.820 -0.030 0.000 2.710 214 A HA -0.375 3.945 4.320 -0.000 0.000 0.309 214 A C 2.650 180.213 177.584 -0.035 0.000 4.150 214 A CA 3.300 55.312 52.037 -0.041 0.000 0.983 214 A CB -2.120 16.842 19.000 -0.063 0.000 0.655 214 A HN 1.714 nan 8.150 nan 0.000 0.407 215 G N -2.180 106.599 108.800 -0.035 0.000 2.743 215 G HA2 0.029 3.989 3.960 -0.000 0.000 0.222 215 G HA3 0.029 3.989 3.960 -0.000 0.000 0.222 215 G C 0.802 175.694 174.900 -0.012 0.000 1.085 215 G CA 1.918 47.004 45.100 -0.023 0.000 0.716 215 G HN 1.514 nan 8.290 nan 0.000 0.604 216 V N -0.243 119.663 119.914 -0.014 0.000 3.293 216 V HA 0.204 4.324 4.120 -0.000 0.000 0.381 216 V C 0.025 176.109 176.094 -0.017 0.000 1.465 216 V CA -0.524 61.770 62.300 -0.010 0.000 1.331 216 V CB 0.765 32.584 31.823 -0.006 0.000 1.160 216 V HN 0.057 nan 8.190 nan 0.000 0.565 217 V N -0.269 119.633 119.914 -0.019 0.000 2.973 217 V HA 0.394 4.513 4.120 -0.000 0.000 0.314 217 V C 1.355 177.436 176.094 -0.021 0.000 1.066 217 V CA -0.579 61.709 62.300 -0.019 0.000 1.021 217 V CB 1.917 33.729 31.823 -0.019 0.000 1.076 217 V HN 0.307 nan 8.190 nan 0.000 0.462 218 K N 0.938 121.326 120.400 -0.020 0.000 2.094 218 K HA -0.056 4.264 4.320 -0.000 0.000 0.220 218 K C 0.520 177.103 176.600 -0.028 0.000 0.919 218 K CA 1.087 57.362 56.287 -0.020 0.000 1.034 218 K CB -0.184 32.306 32.500 -0.018 0.000 0.810 218 K HN 0.679 nan 8.250 nan 0.000 0.603 219 N N 1.768 120.448 118.700 -0.034 0.000 2.406 219 N HA 0.047 4.787 4.740 -0.000 0.000 0.251 219 N C -2.178 173.297 175.510 -0.058 0.000 1.069 219 N CA -1.037 51.984 53.050 -0.049 0.000 0.947 219 N CB 1.396 39.851 38.487 -0.053 0.000 1.111 219 N HN 0.166 nan 8.380 nan 0.000 0.497 220 P HA -0.174 nan 4.420 nan 0.000 0.210 220 P C 1.050 178.291 177.300 -0.099 0.000 1.185 220 P CA 1.339 64.396 63.100 -0.071 0.000 0.924 220 P CB 0.275 31.928 31.700 -0.077 0.000 0.786 221 K N -0.669 119.642 120.400 -0.149 0.000 2.293 221 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 221 K C 2.066 178.502 176.600 -0.274 0.000 1.045 221 K CA 1.364 57.496 56.287 -0.258 0.000 0.933 221 K CB -0.131 32.178 32.500 -0.319 0.000 0.736 221 K HN 0.204 nan 8.250 nan 0.000 0.463 222 R N -0.855 119.552 120.500 -0.155 0.000 2.119 222 R HA 0.097 4.437 4.340 -0.000 0.000 0.202 222 R C 1.851 178.130 176.300 -0.035 0.000 1.114 222 R CA 0.180 56.223 56.100 -0.096 0.000 1.089 222 R CB -0.289 29.966 30.300 -0.075 0.000 1.000 222 R HN 0.052 nan 8.270 nan 0.000 0.487 223 N N 1.050 119.730 118.700 -0.034 0.000 2.120 223 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 223 N C 1.881 177.391 175.510 -0.000 0.000 1.024 223 N CA 0.987 54.029 53.050 -0.012 0.000 0.852 223 N CB -0.252 38.225 38.487 -0.016 0.000 1.003 223 N HN -0.052 nan 8.380 nan 0.000 0.424 224 V N 1.701 121.611 119.914 -0.007 0.000 2.307 224 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 224 V C -0.789 175.323 176.094 0.031 0.000 1.045 224 V CA 1.647 63.952 62.300 0.008 0.000 1.024 224 V CB -1.153 30.668 31.823 -0.002 0.000 0.651 224 V HN 0.227 nan 8.190 nan 0.000 0.449 225 P HA -0.134 nan 4.420 nan 0.000 0.215 225 P C 1.782 179.122 177.300 0.066 0.000 1.153 225 P CA 1.605 64.753 63.100 0.080 0.000 0.853 225 P CB -0.081 31.720 31.700 0.168 0.000 0.788 226 I N -0.909 119.696 120.570 0.059 0.000 2.335 226 I HA -0.256 3.914 4.170 -0.000 0.000 0.251 226 I C 2.298 178.437 176.117 0.037 0.000 1.129 226 I CA 1.346 62.674 61.300 0.047 0.000 1.402 226 I CB -0.829 37.194 38.000 0.038 0.000 1.069 226 I HN -0.075 nan 8.210 nan 0.000 0.424 227 A N 1.156 123.997 122.820 0.034 0.000 1.858 227 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 227 A C 2.526 180.135 177.584 0.041 0.000 1.190 227 A CA 2.590 54.647 52.037 0.033 0.000 0.617 227 A CB -1.244 17.773 19.000 0.029 0.000 0.827 227 A HN 0.501 nan 8.150 nan 0.000 0.443 228 T N -1.535 113.048 114.554 0.048 0.000 2.777 228 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 228 T C 1.848 176.569 174.700 0.035 0.000 1.040 228 T CA 1.545 63.675 62.100 0.050 0.000 1.141 228 T CB -0.576 68.330 68.868 0.063 0.000 0.868 228 T HN 0.301 nan 8.240 nan 0.000 0.444 229 I N 1.705 122.293 120.570 0.030 0.000 2.286 229 I HA 0.016 4.186 4.170 -0.000 0.000 0.248 229 I C 3.030 179.164 176.117 0.029 0.000 1.115 229 I CA 1.239 62.551 61.300 0.021 0.000 1.392 229 I CB -0.816 37.197 38.000 0.022 0.000 1.065 229 I HN 0.474 nan 8.210 nan 0.000 0.418 230 G N 0.543 109.363 108.800 0.032 0.000 2.459 230 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 230 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 230 G C 1.737 176.659 174.900 0.037 0.000 1.183 230 G CA 0.853 45.971 45.100 0.030 0.000 0.776 230 G HN 0.486 nan 8.290 nan 0.000 0.552 231 G N 0.145 108.973 108.800 0.046 0.000 2.440 231 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 231 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 231 G C 1.769 176.727 174.900 0.097 0.000 1.154 231 G CA 1.325 46.461 45.100 0.061 0.000 0.767 231 G HN 0.352 nan 8.290 nan 0.000 0.552 232 V N 0.741 120.719 119.914 0.106 0.000 2.323 232 V HA -0.034 4.086 4.120 -0.000 0.000 0.244 232 V C 2.897 179.100 176.094 0.181 0.000 1.041 232 V CA 1.250 63.655 62.300 0.174 0.000 1.025 232 V CB -0.405 31.434 31.823 0.027 0.000 0.656 232 V HN 0.330 nan 8.190 nan 0.000 0.451 233 L N -0.664 120.615 121.223 0.094 0.000 2.079 233 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 233 L C 2.362 179.265 176.870 0.055 0.000 1.081 233 L CA 1.588 56.474 54.840 0.076 0.000 0.752 233 L CB -0.504 41.580 42.059 0.042 0.000 0.896 233 L HN 0.278 nan 8.230 nan 0.000 0.433 234 I N -0.073 120.518 120.570 0.034 0.000 2.090 234 I HA -0.326 3.844 4.170 -0.000 0.000 0.236 234 I C 2.763 178.837 176.117 -0.073 0.000 1.064 234 I CA 1.495 62.787 61.300 -0.012 0.000 1.324 234 I CB -0.386 37.606 38.000 -0.013 0.000 1.044 234 I HN 0.226 nan 8.210 nan 0.000 0.399 235 A N 0.468 123.233 122.820 -0.093 0.000 2.019 235 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 235 A C 2.434 179.755 177.584 -0.440 0.000 1.164 235 A CA 1.795 53.621 52.037 -0.352 0.000 0.644 235 A CB -0.721 18.072 19.000 -0.344 0.000 0.805 235 A HN 0.520 nan 8.150 nan 0.000 0.449 236 A N -0.619 122.197 122.820 -0.007 0.000 1.835 236 A HA -0.033 4.287 4.320 -0.000 0.000 0.215 236 A C 2.196 179.800 177.584 0.034 0.000 1.199 236 A CA 1.783 53.937 52.037 0.196 0.000 0.615 236 A CB -1.115 18.092 19.000 0.345 0.000 0.838 236 A HN 0.417 nan 8.150 nan 0.000 0.444 237 V N -0.749 119.157 119.914 -0.013 0.000 2.490 237 V HA -0.296 3.824 4.120 -0.000 0.000 0.250 237 V C 2.660 178.678 176.094 -0.127 0.000 1.061 237 V CA 1.803 64.064 62.300 -0.065 0.000 1.064 237 V CB -0.953 30.842 31.823 -0.046 0.000 0.670 237 V HN 0.737 nan 8.190 nan 0.000 0.461 238 C N -0.954 118.249 119.300 -0.162 0.000 2.388 238 C HA -0.249 4.211 4.460 -0.000 0.000 0.277 238 C C 2.451 177.313 174.990 -0.213 0.000 1.210 238 C CA 1.409 60.307 59.018 -0.201 0.000 1.743 238 C CB -1.090 26.473 27.740 -0.295 0.000 2.047 238 C HN 0.617 nan 8.230 nan 0.000 0.458 239 Y N 0.006 120.132 120.300 -0.289 0.000 2.081 239 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 239 Y C 2.624 178.001 175.900 -0.872 0.000 1.163 239 Y CA 1.559 59.322 58.100 -0.560 0.000 1.135 239 Y CB -0.539 37.544 38.460 -0.628 0.000 0.970 239 Y HN 0.140 nan 8.280 nan 0.000 0.498 240 V N 0.265 119.830 119.914 -0.582 0.000 2.270 240 V HA -0.315 3.804 4.120 -0.000 0.000 0.245 240 V C 2.186 178.056 176.094 -0.374 0.000 1.043 240 V CA 1.751 63.679 62.300 -0.620 0.000 1.014 240 V CB -0.682 30.938 31.823 -0.339 0.000 0.645 240 V HN 0.397 nan 8.190 nan 0.000 0.447 241 L N 0.614 121.700 121.223 -0.228 0.000 2.141 241 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 241 L C 2.700 179.497 176.870 -0.120 0.000 1.094 241 L CA 1.696 56.453 54.840 -0.138 0.000 0.763 241 L CB -0.542 41.469 42.059 -0.079 0.000 0.908 241 L HN 0.590 nan 8.230 nan 0.000 0.437 242 S N -1.254 114.361 115.700 -0.142 0.000 2.345 242 S HA -0.162 4.308 4.470 -0.000 0.000 0.219 242 S C 1.839 176.361 174.600 -0.130 0.000 1.031 242 S CA 1.264 59.404 58.200 -0.101 0.000 0.984 242 S CB -0.873 62.287 63.200 -0.067 0.000 0.874 242 S HN 0.491 nan 8.310 nan 0.000 0.451 243 T N 0.102 114.543 114.554 -0.187 0.000 3.272 243 T HA 0.178 4.528 4.350 -0.000 0.000 0.250 243 T C 1.201 175.803 174.700 -0.164 0.000 1.082 243 T CA 0.588 62.608 62.100 -0.134 0.000 0.968 243 T CB -0.620 68.249 68.868 0.002 0.000 1.015 243 T HN 0.597 nan 8.240 nan 0.000 0.563 244 T N -1.748 112.673 114.554 -0.222 0.000 3.086 244 T HA 0.476 4.826 4.350 -0.000 0.000 0.250 244 T C 1.311 175.791 174.700 -0.367 0.000 1.074 244 T CA 0.110 62.059 62.100 -0.253 0.000 0.988 244 T CB -0.067 68.662 68.868 -0.230 0.000 0.988 244 T HN 0.438 nan 8.240 nan 0.000 0.530 245 A N 1.636 124.312 122.820 -0.241 0.000 3.074 245 A HA 0.573 4.893 4.320 -0.000 0.000 0.251 245 A C 0.287 177.794 177.584 -0.129 0.000 1.695 245 A CA -0.419 51.499 52.037 -0.199 0.000 1.343 245 A CB -1.160 17.772 19.000 -0.114 0.000 1.078 245 A HN 0.713 nan 8.150 nan 0.000 0.644 246 I N 2.186 122.671 120.570 -0.142 0.000 2.502 246 I HA 0.191 4.361 4.170 -0.000 0.000 0.276 246 I C 1.066 177.410 176.117 0.378 0.000 1.057 246 I CA -0.596 60.735 61.300 0.051 0.000 1.163 246 I CB 0.908 38.911 38.000 0.004 0.000 1.288 246 I HN 0.660 nan 8.210 nan 0.000 0.479 247 M N 4.615 124.475 119.600 0.434 0.000 2.257 247 M HA 0.419 4.899 4.480 -0.000 0.000 0.260 247 M C 0.993 177.439 176.300 0.243 0.000 1.102 247 M CA 2.047 57.639 55.300 0.486 0.000 1.169 247 M CB -0.162 32.732 32.600 0.490 0.000 1.323 247 M HN 0.442 nan 8.290 nan 0.000 0.447 248 G N -0.259 108.640 108.800 0.164 0.000 3.755 248 G HA2 0.185 4.145 3.960 -0.000 0.000 0.180 248 G HA3 0.185 4.145 3.960 -0.000 0.000 0.180 248 G C 0.438 175.381 174.900 0.072 0.000 1.374 248 G CA -0.420 44.746 45.100 0.109 0.000 0.860 248 G HN 0.198 nan 8.290 nan 0.000 0.743 249 M N 1.215 120.849 119.600 0.058 0.000 2.216 249 M HA 0.140 4.620 4.480 -0.000 0.000 0.317 249 M C 1.082 177.394 176.300 0.020 0.000 1.015 249 M CA 0.986 56.301 55.300 0.026 0.000 1.045 249 M CB 0.408 33.007 32.600 -0.002 0.000 1.538 249 M HN 0.241 nan 8.290 nan 0.000 0.440 250 I N 0.084 120.660 120.570 0.011 0.000 4.881 250 I HA 0.135 4.304 4.170 -0.000 0.000 0.319 250 I C -1.852 174.265 176.117 -0.001 0.000 1.205 250 I CA -0.142 61.163 61.300 0.008 0.000 1.368 250 I CB -1.564 36.445 38.000 0.015 0.000 1.484 250 I HN 0.315 nan 8.210 nan 0.000 0.486 251 P HA 0.063 nan 4.420 nan 0.000 0.261 251 P C -0.524 176.771 177.300 -0.009 0.000 1.173 251 P CA 1.074 64.172 63.100 -0.002 0.000 0.760 251 P CB 0.362 32.062 31.700 -0.001 0.000 0.783 274 A N 1.821 124.680 122.820 0.064 0.000 2.263 274 A HA 0.562 4.882 4.320 -0.000 0.000 0.205 274 A C 2.106 179.742 177.584 0.087 0.000 1.226 274 A CA 1.228 53.305 52.037 0.066 0.000 0.810 274 A CB -1.427 17.606 19.000 0.056 0.000 0.784 274 A HN 0.860 nan 8.150 nan 0.000 0.486 275 G N -0.177 108.684 108.800 0.103 0.000 2.432 275 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.219 275 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.219 275 G C 1.641 176.656 174.900 0.192 0.000 1.135 275 G CA 1.051 46.229 45.100 0.131 0.000 0.767 275 G HN 0.727 nan 8.290 nan 0.000 0.550 276 A N 0.878 123.858 122.820 0.267 0.000 1.940 276 A HA 0.009 4.329 4.320 -0.000 0.000 0.219 276 A C 2.369 180.073 177.584 0.201 0.000 1.176 276 A CA 1.253 53.572 52.037 0.470 0.000 0.631 276 A CB -0.323 18.920 19.000 0.405 0.000 0.814 276 A HN 0.399 nan 8.150 nan 0.000 0.446 277 I N -0.689 119.958 120.570 0.129 0.000 2.226 277 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 277 I C 2.248 178.418 176.117 0.089 0.000 1.100 277 I CA 1.062 62.430 61.300 0.113 0.000 1.374 277 I CB -0.342 37.701 38.000 0.071 0.000 1.057 277 I HN 0.148 nan 8.210 nan 0.000 0.413 278 V N 0.941 120.873 119.914 0.030 0.000 2.667 278 V HA -0.198 3.922 4.120 -0.000 0.000 0.252 278 V C 2.477 178.401 176.094 -0.283 0.000 1.065 278 V CA 2.120 64.388 62.300 -0.053 0.000 1.083 278 V CB -0.336 31.515 31.823 0.047 0.000 0.692 278 V HN 0.547 nan 8.190 nan 0.000 0.468 279 S N -0.448 115.081 115.700 -0.285 0.000 2.446 279 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 279 S C 1.818 176.145 174.600 -0.454 0.000 1.016 279 S CA 0.933 58.811 58.200 -0.537 0.000 0.943 279 S CB -0.494 62.252 63.200 -0.755 0.000 0.786 279 S HN 0.586 nan 8.310 nan 0.000 0.508 280 F N 2.135 121.842 119.950 -0.405 0.000 2.149 280 F HA 0.067 4.594 4.527 -0.000 0.000 0.294 280 F C 2.136 177.840 175.800 -0.159 0.000 1.095 280 F CA 0.568 58.420 58.000 -0.247 0.000 1.276 280 F CB -0.791 38.124 39.000 -0.141 0.000 1.023 280 F HN 0.217 nan 8.300 nan 0.000 0.480 281 C N 1.068 120.204 119.300 -0.273 0.000 2.422 281 C HA 0.014 4.474 4.460 -0.000 0.000 0.286 281 C C 3.061 177.857 174.990 -0.324 0.000 1.412 281 C CA 0.963 59.775 59.018 -0.343 0.000 1.786 281 C CB -2.071 25.624 27.740 -0.074 0.000 1.835 281 C HN 0.664 nan 8.230 nan 0.000 0.533 282 A N 0.371 123.013 122.820 -0.297 0.000 1.874 282 A HA 0.246 4.566 4.320 -0.000 0.000 0.214 282 A C 2.365 179.795 177.584 -0.256 0.000 1.189 282 A CA 1.474 53.400 52.037 -0.186 0.000 0.615 282 A CB -0.845 18.079 19.000 -0.126 0.000 0.830 282 A HN 0.496 nan 8.150 nan 0.000 0.443 283 A N 0.003 122.714 122.820 -0.180 0.000 1.972 283 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 283 A C 2.330 179.709 177.584 -0.342 0.000 1.169 283 A CA 1.775 53.654 52.037 -0.264 0.000 0.635 283 A CB -0.832 18.108 19.000 -0.100 0.000 0.810 283 A HN 1.057 nan 8.150 nan 0.000 0.446 284 A N -0.595 121.943 122.820 -0.471 0.000 2.172 284 A HA 0.199 4.519 4.320 -0.000 0.000 0.216 284 A C 2.151 179.564 177.584 -0.285 0.000 1.154 284 A CA 1.523 53.296 52.037 -0.439 0.000 0.701 284 A CB -0.943 17.658 19.000 -0.665 0.000 0.789 284 A HN 0.640 nan 8.150 nan 0.000 0.465 285 G N -1.231 107.395 108.800 -0.290 0.000 2.408 285 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.215 285 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.215 285 G C 1.274 176.009 174.900 -0.275 0.000 1.156 285 G CA 1.210 46.161 45.100 -0.248 0.000 0.793 285 G HN 0.515 nan 8.290 nan 0.000 0.535 286 C N 0.428 119.531 119.300 -0.327 0.000 2.576 286 C HA 0.346 4.806 4.460 -0.000 0.000 0.267 286 C C 2.437 177.283 174.990 -0.241 0.000 1.364 286 C CA -0.297 58.531 59.018 -0.316 0.000 1.723 286 C CB -1.249 26.282 27.740 -0.347 0.000 1.778 286 C HN 0.464 nan 8.230 nan 0.000 0.572 287 L N 0.782 121.896 121.223 -0.181 0.000 2.127 287 L HA 0.133 4.473 4.340 -0.000 0.000 0.203 287 L C 2.426 179.181 176.870 -0.191 0.000 1.080 287 L CA 1.749 56.577 54.840 -0.020 0.000 0.768 287 L CB -0.436 41.619 42.059 -0.006 0.000 0.924 287 L HN 0.402 nan 8.230 nan 0.000 0.444 288 G N -1.896 106.777 108.800 -0.211 0.000 2.441 288 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.212 288 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.212 288 G C 1.595 176.328 174.900 -0.278 0.000 1.164 288 G CA 0.615 45.596 45.100 -0.199 0.000 0.811 288 G HN 0.364 nan 8.290 nan 0.000 0.535 289 S N 0.194 115.732 115.700 -0.270 0.000 2.377 289 S HA -0.149 4.321 4.470 -0.000 0.000 0.224 289 S C 2.327 176.752 174.600 -0.292 0.000 1.042 289 S CA 1.322 59.386 58.200 -0.226 0.000 1.086 289 S CB -0.461 62.572 63.200 -0.278 0.000 0.995 289 S HN 0.145 nan 8.310 nan 0.000 0.428 290 L N 1.073 121.977 121.223 -0.532 0.000 2.021 290 L HA -0.156 4.183 4.340 -0.000 0.000 0.215 290 L C 2.636 179.210 176.870 -0.493 0.000 1.074 290 L CA 2.351 56.841 54.840 -0.584 0.000 0.760 290 L CB -1.898 39.641 42.059 -0.868 0.000 0.889 290 L HN 0.598 nan 8.230 nan 0.000 0.433 291 G N -1.189 107.148 108.800 -0.772 0.000 2.446 291 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 291 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 291 G C 1.542 176.418 174.900 -0.040 0.000 1.168 291 G CA 0.797 45.764 45.100 -0.220 0.000 0.771 291 G HN 0.536 nan 8.290 nan 0.000 0.551 292 G N -0.215 108.563 108.800 -0.037 0.000 2.446 292 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 292 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 292 G C 1.590 176.573 174.900 0.138 0.000 1.168 292 G CA 0.950 46.091 45.100 0.068 0.000 0.771 292 G HN 0.446 nan 8.290 nan 0.000 0.551 293 W N 1.467 122.719 121.300 -0.079 0.000 2.476 293 W HA 0.041 4.701 4.660 -0.000 0.000 0.281 293 W C 3.191 179.706 176.519 -0.008 0.000 1.230 293 W CA 1.932 59.253 57.345 -0.041 0.000 1.287 293 W CB -0.763 28.643 29.460 -0.090 0.000 1.108 293 W HN 0.292 nan 8.180 nan 0.000 0.567 294 T N -1.319 113.342 114.554 0.179 0.000 2.759 294 T HA -0.278 4.072 4.350 -0.000 0.000 0.269 294 T C 1.965 176.725 174.700 0.100 0.000 1.042 294 T CA 1.450 63.623 62.100 0.121 0.000 1.140 294 T CB -0.867 68.058 68.868 0.095 0.000 0.864 294 T HN 0.205 nan 8.240 nan 0.000 0.455 295 L N 0.260 121.532 121.223 0.082 0.000 1.989 295 L HA -0.050 4.290 4.340 -0.000 0.000 0.211 295 L C 2.666 179.563 176.870 0.045 0.000 1.071 295 L CA 1.629 56.503 54.840 0.055 0.000 0.749 295 L CB -0.478 41.605 42.059 0.040 0.000 0.890 295 L HN 0.269 nan 8.230 nan 0.000 0.431 296 L N -0.223 121.008 121.223 0.013 0.000 2.191 296 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 296 L C 2.837 179.781 176.870 0.124 0.000 1.103 296 L CA 1.502 56.340 54.840 -0.003 0.000 0.769 296 L CB -1.494 40.451 42.059 -0.191 0.000 0.908 296 L HN 0.397 nan 8.230 nan 0.000 0.438 297 A N 0.322 123.240 122.820 0.162 0.000 1.873 297 A HA -0.082 4.238 4.320 -0.000 0.000 0.215 297 A C 2.434 180.232 177.584 0.356 0.000 1.186 297 A CA 1.630 53.871 52.037 0.340 0.000 0.616 297 A CB -1.045 18.088 19.000 0.221 0.000 0.823 297 A HN 0.406 nan 8.150 nan 0.000 0.442 298 G N -1.396 107.495 108.800 0.151 0.000 2.422 298 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.218 298 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.218 298 G C 1.615 176.515 174.900 -0.000 0.000 1.140 298 G CA 0.920 46.039 45.100 0.032 0.000 0.775 298 G HN 0.427 nan 8.290 nan 0.000 0.545 299 Q N 0.484 120.301 119.800 0.028 0.000 1.916 299 Q HA -0.050 4.289 4.340 -0.000 0.000 0.203 299 Q C 2.162 178.131 176.000 -0.051 0.000 0.983 299 Q CA 1.322 57.120 55.803 -0.008 0.000 0.846 299 Q CB -1.136 27.596 28.738 -0.009 0.000 0.909 299 Q HN 0.322 nan 8.270 nan 0.000 0.427 300 T N 0.989 115.513 114.554 -0.049 0.000 3.722 300 T HA 0.279 4.629 4.350 -0.000 0.000 0.247 300 T C 0.634 175.175 174.700 -0.266 0.000 1.004 300 T CA 0.530 62.529 62.100 -0.168 0.000 0.947 300 T CB -0.225 68.518 68.868 -0.208 0.000 1.114 300 T HN 0.348 nan 8.240 nan 0.000 0.633 301 A N 0.824 123.515 122.820 -0.215 0.000 1.690 301 A HA 0.315 4.635 4.320 -0.000 0.000 0.213 301 A C 1.439 179.035 177.584 0.019 0.000 1.785 301 A CA -0.359 51.559 52.037 -0.198 0.000 1.230 301 A CB 0.070 18.842 19.000 -0.379 0.000 1.175 301 A HN 0.221 nan 8.150 nan 0.000 0.468 302 K N 1.562 121.956 120.400 -0.010 0.000 2.611 302 K HA 0.393 4.712 4.320 -0.000 0.000 0.193 302 K C 1.266 177.881 176.600 0.025 0.000 1.026 302 K CA 0.851 57.187 56.287 0.081 0.000 1.063 302 K CB -0.372 32.157 32.500 0.048 0.000 0.839 302 K HN 0.490 nan 8.250 nan 0.000 0.505 303 A N 0.421 123.210 122.820 -0.052 0.000 1.909 303 A HA 0.275 4.594 4.320 -0.000 0.000 0.210 303 A C 1.877 179.433 177.584 -0.047 0.000 1.273 303 A CA 0.618 52.625 52.037 -0.049 0.000 0.654 303 A CB -0.503 18.455 19.000 -0.069 0.000 0.945 303 A HN 0.207 nan 8.150 nan 0.000 0.471 304 A N -0.050 122.567 122.820 -0.338 0.000 2.250 304 A HA 0.454 4.774 4.320 -0.000 0.000 0.208 304 A C 1.771 179.349 177.584 -0.010 0.000 1.254 304 A CA 1.114 52.998 52.037 -0.256 0.000 0.858 304 A CB -0.858 17.610 19.000 -0.886 0.000 0.820 304 A HN 0.842 nan 8.150 nan 0.000 0.484 305 A N -0.220 122.638 122.820 0.063 0.000 1.903 305 A HA 0.002 4.322 4.320 -0.000 0.000 0.213 305 A C 1.724 179.348 177.584 0.068 0.000 1.185 305 A CA 1.361 53.466 52.037 0.114 0.000 0.628 305 A CB -0.099 18.981 19.000 0.134 0.000 0.830 305 A HN 0.469 nan 8.150 nan 0.000 0.446 306 D N 0.098 120.538 120.400 0.065 0.000 2.214 306 D HA -0.061 4.579 4.640 -0.000 0.000 0.217 306 D C 0.773 177.113 176.300 0.067 0.000 0.973 306 D CA 0.981 55.011 54.000 0.049 0.000 0.880 306 D CB -0.729 40.090 40.800 0.032 0.000 1.031 306 D HN 0.204 nan 8.370 nan 0.000 0.468 307 D N 0.120 120.579 120.400 0.100 0.000 2.393 307 D HA 0.011 4.651 4.640 -0.000 0.000 0.220 307 D C 1.335 177.723 176.300 0.146 0.000 0.974 307 D CA 1.244 55.297 54.000 0.089 0.000 0.931 307 D CB 0.214 41.056 40.800 0.070 0.000 0.889 307 D HN 0.399 nan 8.370 nan 0.000 0.512 308 G N -1.845 107.072 108.800 0.195 0.000 2.070 308 G HA2 0.162 4.122 3.960 -0.000 0.000 0.076 308 G HA3 0.162 4.122 3.960 -0.000 0.000 0.076 308 G C -0.862 174.054 174.900 0.025 0.000 0.735 308 G CA -0.469 44.739 45.100 0.180 0.000 1.158 308 G HN 0.146 nan 8.290 nan 0.000 0.393 309 L N -0.626 120.466 121.223 -0.217 0.000 2.250 309 L HA 0.866 5.205 4.340 -0.000 0.000 0.252 309 L C 0.261 176.853 176.870 -0.463 0.000 1.054 309 L CA -0.815 53.738 54.840 -0.479 0.000 0.856 309 L CB 2.543 44.188 42.059 -0.689 0.000 1.443 309 L HN 0.585 nan 8.230 nan 0.000 0.427 310 F N -1.171 118.509 119.950 -0.449 0.000 1.731 310 F HA 0.208 4.736 4.527 0.000 0.000 0.250 310 F C -2.133 173.561 175.800 -0.176 0.000 1.219 310 F CA -0.163 57.692 58.000 -0.243 0.000 1.314 310 F CB 0.301 39.187 39.000 -0.189 0.000 1.890 310 F HN 0.309 nan 8.300 nan 0.000 0.277 311 P HA 0.453 nan 4.420 nan 0.000 0.280 311 P C -2.792 174.283 177.300 -0.375 0.000 1.272 311 P CA -1.413 61.603 63.100 -0.140 0.000 0.819 311 P CB 1.270 32.856 31.700 -0.190 0.000 1.122 312 P HA 0.522 nan 4.420 nan 0.000 0.299 312 P C -0.007 177.074 177.300 -0.364 0.000 1.329 312 P CA -0.564 62.196 63.100 -0.567 0.000 1.073 312 P CB 1.472 32.969 31.700 -0.338 0.000 1.510 313 I N -2.925 117.434 120.570 -0.352 0.000 4.889 313 I HA -0.333 3.837 4.170 -0.000 0.000 0.048 313 I C 0.230 176.123 176.117 -0.373 0.000 0.699 313 I CA 0.653 61.671 61.300 -0.470 0.000 0.222 313 I CB -1.674 35.842 38.000 -0.807 0.000 0.398 313 I HN 0.389 nan 8.210 nan 0.000 0.163 314 F N 2.390 122.248 119.950 -0.153 0.000 2.506 314 F HA 0.605 5.131 4.527 -0.001 0.000 0.371 314 F C 0.954 176.711 175.800 -0.072 0.000 1.078 314 F CA -0.238 57.698 58.000 -0.107 0.000 1.195 314 F CB -0.029 38.895 39.000 -0.127 0.000 1.099 314 F HN 0.878 nan 8.300 nan 0.000 0.548 315 A N 2.962 125.883 122.820 0.167 0.000 6.319 315 A HA -0.261 4.059 4.320 -0.000 0.000 0.281 315 A C 1.453 179.112 177.584 0.124 0.000 2.002 315 A CA 0.743 52.836 52.037 0.094 0.000 0.752 315 A CB -0.583 18.430 19.000 0.021 0.000 1.139 315 A HN 0.856 nan 8.150 nan 0.000 0.391 316 R N -0.866 119.678 120.500 0.073 0.000 2.310 316 R HA 0.288 4.628 4.340 -0.000 0.000 0.202 316 R C 0.560 176.881 176.300 0.035 0.000 0.933 316 R CA 0.827 56.948 56.100 0.035 0.000 1.054 316 R CB -0.913 29.398 30.300 0.020 0.000 0.985 316 R HN 1.443 nan 8.270 nan 0.000 0.489 317 V N 2.331 122.274 119.914 0.047 0.000 5.981 317 V HA -0.260 3.860 4.120 -0.000 0.000 0.233 317 V C -0.039 176.074 176.094 0.031 0.000 0.653 317 V CA 0.034 62.358 62.300 0.040 0.000 0.677 317 V CB -1.931 29.912 31.823 0.033 0.000 0.632 317 V HN 0.364 nan 8.190 nan 0.000 0.464 318 N N 2.480 121.201 118.700 0.035 0.000 2.292 318 N HA 0.077 4.817 4.740 -0.000 0.000 0.242 318 N C 0.487 176.010 175.510 0.022 0.000 1.243 318 N CA 0.457 53.523 53.050 0.027 0.000 0.851 318 N CB 0.316 38.822 38.487 0.032 0.000 1.093 318 N HN 0.688 nan 8.380 nan 0.000 0.450 319 K N 1.470 121.876 120.400 0.010 0.000 2.591 319 K HA 0.089 4.409 4.320 -0.000 0.000 0.280 319 K C 0.530 177.129 176.600 -0.002 0.000 0.964 319 K CA 1.061 57.348 56.287 0.000 0.000 1.014 319 K CB 0.110 32.603 32.500 -0.010 0.000 0.877 319 K HN 0.684 nan 8.250 nan 0.000 0.502 320 A N 1.195 124.010 122.820 -0.008 0.000 3.232 320 A HA -0.005 4.315 4.320 -0.000 0.000 0.238 320 A C 0.721 178.341 177.584 0.059 0.000 1.344 320 A CA 0.653 52.684 52.037 -0.010 0.000 0.875 320 A CB -2.362 16.588 19.000 -0.085 0.000 1.070 320 A HN 1.683 nan 8.150 nan 0.000 0.653 321 G N -1.471 107.358 108.800 0.049 0.000 2.642 321 G HA2 0.351 4.311 3.960 -0.000 0.000 0.231 321 G HA3 0.351 4.311 3.960 -0.000 0.000 0.231 321 G C 0.577 175.513 174.900 0.060 0.000 1.338 321 G CA 1.757 46.892 45.100 0.058 0.000 0.883 321 G HN 3.100 nan 8.290 nan 0.000 0.570 322 T N -3.776 110.813 114.554 0.057 0.000 0.543 322 T HA 0.078 4.428 4.350 -0.000 0.000 0.774 322 T C -2.302 172.429 174.700 0.051 0.000 0.992 322 T CA 0.877 63.011 62.100 0.056 0.000 4.075 322 T CB -0.929 67.980 68.868 0.069 0.000 2.302 322 T HN 1.395 nan 8.240 nan 0.000 0.398 323 P HA 0.497 nan 4.420 nan 0.000 0.251 323 P C 1.317 178.654 177.300 0.061 0.000 1.718 323 P CA -0.582 62.550 63.100 0.053 0.000 1.119 323 P CB 0.862 32.579 31.700 0.029 0.000 1.762 324 V N 3.077 123.030 119.914 0.066 0.000 2.255 324 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 324 V C 2.442 178.588 176.094 0.086 0.000 1.051 324 V CA 2.886 65.230 62.300 0.073 0.000 1.018 324 V CB -1.262 30.600 31.823 0.065 0.000 0.641 324 V HN 0.429 nan 8.190 nan 0.000 0.445 325 A N -0.069 122.806 122.820 0.093 0.000 1.972 325 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 325 A C 2.327 179.996 177.584 0.142 0.000 1.169 325 A CA 1.906 54.012 52.037 0.116 0.000 0.635 325 A CB -1.131 17.936 19.000 0.111 0.000 0.810 325 A HN 0.564 nan 8.150 nan 0.000 0.446 326 G N 0.373 109.242 108.800 0.115 0.000 2.524 326 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 326 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 326 G C 1.428 176.301 174.900 -0.046 0.000 1.239 326 G CA 1.219 46.316 45.100 -0.005 0.000 0.798 326 G HN 0.462 nan 8.290 nan 0.000 0.557 327 L N 0.417 121.637 121.223 -0.005 0.000 2.141 327 L HA 0.096 4.436 4.340 -0.000 0.000 0.209 327 L C 2.739 179.579 176.870 -0.050 0.000 1.094 327 L CA 0.539 55.369 54.840 -0.017 0.000 0.763 327 L CB -0.460 41.610 42.059 0.017 0.000 0.908 327 L HN 0.149 nan 8.230 nan 0.000 0.437 328 I N -0.155 120.434 120.570 0.032 0.000 2.163 328 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 328 I C 2.524 178.662 176.117 0.034 0.000 1.085 328 I CA 1.665 63.021 61.300 0.093 0.000 1.347 328 I CB -0.105 38.015 38.000 0.200 0.000 1.044 328 I HN 0.235 nan 8.210 nan 0.000 0.408 329 I N 0.116 120.717 120.570 0.051 0.000 2.286 329 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 329 I C 2.397 178.470 176.117 -0.072 0.000 1.115 329 I CA 1.205 62.535 61.300 0.049 0.000 1.392 329 I CB -0.067 38.035 38.000 0.169 0.000 1.065 329 I HN 0.057 nan 8.210 nan 0.000 0.418 330 V N 0.769 120.612 119.914 -0.118 0.000 2.515 330 V HA -0.190 3.930 4.120 -0.000 0.000 0.250 330 V C 2.544 178.445 176.094 -0.322 0.000 1.058 330 V CA 1.889 64.059 62.300 -0.217 0.000 1.064 330 V CB -1.300 30.468 31.823 -0.092 0.000 0.675 330 V HN 0.558 nan 8.190 nan 0.000 0.461 331 G N 0.355 108.889 108.800 -0.443 0.000 2.421 331 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 331 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 331 G C 1.547 176.179 174.900 -0.448 0.000 1.171 331 G CA 1.090 45.656 45.100 -0.890 0.000 0.775 331 G HN 0.507 nan 8.290 nan 0.000 0.543 332 I N 0.412 120.910 120.570 -0.121 0.000 2.179 332 I HA -0.102 4.068 4.170 -0.000 0.000 0.242 332 I C 2.611 178.726 176.117 -0.003 0.000 1.088 332 I CA 0.535 61.888 61.300 0.088 0.000 1.357 332 I CB -0.244 37.827 38.000 0.118 0.000 1.051 332 I HN 0.056 nan 8.210 nan 0.000 0.409 333 L N -0.139 120.981 121.223 -0.171 0.000 2.131 333 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 333 L C 2.490 179.337 176.870 -0.038 0.000 1.092 333 L CA 1.833 56.489 54.840 -0.306 0.000 0.759 333 L CB -0.467 40.999 42.059 -0.990 0.000 0.903 333 L HN 0.418 nan 8.230 nan 0.000 0.435 334 M N -1.332 118.258 119.600 -0.017 0.000 2.248 334 M HA -0.139 4.340 4.480 -0.000 0.000 0.265 334 M C 2.179 178.596 176.300 0.195 0.000 1.079 334 M CA 1.425 56.870 55.300 0.242 0.000 1.150 334 M CB 0.102 32.757 32.600 0.092 0.000 1.366 334 M HN 0.036 nan 8.290 nan 0.000 0.433 335 T N 0.862 115.487 114.554 0.118 0.000 2.777 335 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 335 T C 1.649 176.462 174.700 0.188 0.000 1.040 335 T CA 1.212 63.424 62.100 0.186 0.000 1.141 335 T CB -0.270 68.795 68.868 0.329 0.000 0.868 335 T HN 0.321 nan 8.240 nan 0.000 0.444 336 I N 0.096 120.782 120.570 0.194 0.000 2.264 336 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 336 I C 1.940 178.193 176.117 0.226 0.000 1.111 336 I CA 1.437 62.849 61.300 0.187 0.000 1.382 336 I CB -0.207 37.898 38.000 0.175 0.000 1.060 336 I HN 0.221 nan 8.210 nan 0.000 0.418 337 F N 0.664 120.686 119.950 0.120 0.000 2.512 337 F HA -0.061 4.466 4.527 -0.000 0.000 0.296 337 F C 2.483 178.318 175.800 0.057 0.000 1.110 337 F CA 0.868 58.923 58.000 0.091 0.000 1.446 337 F CB -0.164 38.899 39.000 0.105 0.000 1.092 337 F HN -0.004 nan 8.300 nan 0.000 0.554 338 Q N 0.505 120.371 119.800 0.110 0.000 2.291 338 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 338 Q C 0.803 176.776 176.000 -0.044 0.000 0.976 338 Q CA 1.025 56.836 55.803 0.014 0.000 0.875 338 Q CB -0.202 28.584 28.738 0.081 0.000 0.927 338 Q HN 0.456 nan 8.270 nan 0.000 0.450 339 L N -2.919 118.289 121.223 -0.025 0.000 3.108 339 L HA 0.422 4.762 4.340 -0.000 0.000 0.251 339 L C 0.550 177.376 176.870 -0.074 0.000 1.315 339 L CA -0.080 54.739 54.840 -0.036 0.000 1.048 339 L CB 0.926 42.994 42.059 0.015 0.000 1.432 339 L HN -0.241 nan 8.230 nan 0.000 0.543 340 S N -1.651 113.937 115.700 -0.186 0.000 2.551 340 S HA 0.037 4.507 4.470 -0.000 0.000 0.236 340 S C 0.784 175.163 174.600 -0.367 0.000 0.915 340 S CA 0.147 58.229 58.200 -0.197 0.000 1.525 340 S CB 0.276 63.413 63.200 -0.104 0.000 1.256 340 S HN 0.383 nan 8.310 nan 0.000 0.641 341 S N 1.409 116.754 115.700 -0.592 0.000 2.581 341 S HA 0.427 4.897 4.470 -0.000 0.000 0.245 341 S C 1.202 175.629 174.600 -0.288 0.000 1.115 341 S CA -0.368 57.492 58.200 -0.568 0.000 1.093 341 S CB -0.538 62.019 63.200 -1.071 0.000 0.853 341 S HN 0.406 nan 8.310 nan 0.000 0.479 342 I N 0.761 121.215 120.570 -0.194 0.000 2.076 342 I HA -0.103 4.067 4.170 -0.000 0.000 0.237 342 I C 0.915 176.990 176.117 -0.071 0.000 1.059 342 I CA 0.833 62.068 61.300 -0.109 0.000 1.317 342 I CB -0.216 37.740 38.000 -0.072 0.000 1.037 342 I HN 0.409 nan 8.210 nan 0.000 0.398 343 S N -1.641 114.025 115.700 -0.055 0.000 3.260 343 S HA -0.039 4.430 4.470 -0.000 0.000 0.791 343 S C -2.436 172.130 174.600 -0.057 0.000 0.945 343 S CA -1.147 57.018 58.200 -0.058 0.000 1.263 343 S CB -0.958 62.197 63.200 -0.075 0.000 0.870 343 S HN -0.002 nan 8.310 nan 0.000 0.273 344 P HA 0.339 nan 4.420 nan 0.000 0.270 344 P C 0.534 177.817 177.300 -0.028 0.000 1.216 344 P CA 0.560 63.648 63.100 -0.020 0.000 0.788 344 P CB 0.196 31.891 31.700 -0.008 0.000 0.883 345 N N -0.424 118.280 118.700 0.008 0.000 3.718 345 N HA 0.078 4.817 4.740 -0.000 0.000 0.172 345 N C -1.317 174.229 175.510 0.060 0.000 0.951 345 N CA 0.940 54.013 53.050 0.038 0.000 2.341 345 N CB -1.452 37.042 38.487 0.011 0.000 1.165 345 N HN 0.634 nan 8.380 nan 0.000 0.703 346 A N -0.467 122.383 122.820 0.051 0.000 1.740 346 A HA -0.072 4.248 4.320 -0.000 0.000 0.325 346 A C 1.355 178.965 177.584 0.043 0.000 1.042 346 A CA 1.042 53.114 52.037 0.058 0.000 0.567 346 A CB -2.071 16.985 19.000 0.092 0.000 1.864 346 A HN 1.221 nan 8.150 nan 0.000 0.275 347 T N -0.567 114.005 114.554 0.031 0.000 3.052 347 T HA 0.114 4.464 4.350 -0.000 0.000 0.270 347 T C 0.778 175.493 174.700 0.025 0.000 1.147 347 T CA 1.960 64.072 62.100 0.019 0.000 1.089 347 T CB -0.098 68.780 68.868 0.017 0.000 0.875 347 T HN 0.906 nan 8.240 nan 0.000 0.541 348 K N -0.256 120.168 120.400 0.041 0.000 2.228 348 K HA 0.346 4.665 4.320 -0.000 0.000 0.261 348 K C -0.758 175.875 176.600 0.055 0.000 0.941 348 K CA -1.014 55.297 56.287 0.040 0.000 0.792 348 K CB 1.335 33.862 32.500 0.046 0.000 1.495 348 K HN 0.099 nan 8.250 nan 0.000 0.387 349 E N 0.515 120.738 120.200 0.038 0.000 2.459 349 E HA -0.061 4.289 4.350 -0.000 0.000 0.264 349 E C -0.858 175.850 176.600 0.180 0.000 1.055 349 E CA 0.837 57.247 56.400 0.017 0.000 0.957 349 E CB -0.013 29.644 29.700 -0.071 0.000 0.952 349 E HN 0.387 nan 8.360 nan 0.000 0.448 350 F N 0.064 120.097 119.950 0.139 0.000 2.781 350 F HA -0.132 4.395 4.527 -0.000 0.000 0.350 350 F C 0.849 176.693 175.800 0.074 0.000 1.048 350 F CA 0.964 59.051 58.000 0.145 0.000 1.134 350 F CB -1.419 37.649 39.000 0.112 0.000 1.440 350 F HN 0.664 nan 8.300 nan 0.000 0.799 351 G N 0.353 109.292 108.800 0.232 0.000 3.605 351 G HA2 0.398 4.358 3.960 -0.000 0.000 0.277 351 G HA3 0.398 4.358 3.960 -0.000 0.000 0.277 351 G C 1.167 176.158 174.900 0.151 0.000 1.093 351 G CA 0.306 45.499 45.100 0.155 0.000 0.821 351 G HN 0.646 nan 8.290 nan 0.000 0.532 352 L N -1.727 119.605 121.223 0.182 0.000 4.914 352 L HA -0.269 4.071 4.340 -0.000 0.000 0.443 352 L C 1.417 178.381 176.870 0.157 0.000 1.095 352 L CA 0.741 55.707 54.840 0.209 0.000 0.975 352 L CB -1.026 41.168 42.059 0.225 0.000 1.914 352 L HN 0.291 nan 8.230 nan 0.000 0.837 353 V N -3.445 116.509 119.914 0.067 0.000 3.110 353 V HA 0.003 4.123 4.120 -0.000 0.000 0.233 353 V C 1.490 177.503 176.094 -0.135 0.000 1.550 353 V CA 1.185 63.448 62.300 -0.061 0.000 1.186 353 V CB 1.273 33.112 31.823 0.026 0.000 1.052 353 V HN 0.246 nan 8.190 nan 0.000 0.452 354 S N 0.434 116.114 115.700 -0.034 0.000 2.496 354 S HA -0.064 4.406 4.470 -0.000 0.000 0.224 354 S C 2.047 176.578 174.600 -0.116 0.000 0.996 354 S CA 1.563 59.708 58.200 -0.092 0.000 0.927 354 S CB 0.098 63.277 63.200 -0.035 0.000 0.774 354 S HN 0.772 nan 8.310 nan 0.000 0.524 355 S N 0.073 115.773 115.700 0.000 0.000 2.460 355 S HA 0.071 4.541 4.470 -0.000 0.000 0.226 355 S C 1.762 176.391 174.600 0.048 0.000 1.057 355 S CA 0.683 58.953 58.200 0.117 0.000 0.948 355 S CB -0.650 62.805 63.200 0.424 0.000 0.822 355 S HN 0.264 nan 8.310 nan 0.000 0.512 356 V N 3.737 123.617 119.914 -0.056 0.000 2.282 356 V HA -0.209 3.911 4.120 -0.000 0.000 0.249 356 V C 3.162 178.913 176.094 -0.573 0.000 1.057 356 V CA 2.231 64.383 62.300 -0.247 0.000 1.032 356 V CB -1.580 30.048 31.823 -0.325 0.000 0.645 356 V HN 0.804 nan 8.190 nan 0.000 0.447 357 S N -0.228 115.090 115.700 -0.637 0.000 2.465 357 S HA -0.164 4.306 4.470 -0.000 0.000 0.241 357 S C 1.827 176.296 174.600 -0.219 0.000 1.000 357 S CA 1.684 59.540 58.200 -0.573 0.000 0.964 357 S CB -0.552 62.367 63.200 -0.468 0.000 0.763 357 S HN 0.343 nan 8.310 nan 0.000 0.512 358 V N 2.260 122.081 119.914 -0.154 0.000 2.244 358 V HA -0.131 3.989 4.120 -0.000 0.000 0.244 358 V C 2.469 178.620 176.094 0.095 0.000 1.042 358 V CA 2.033 64.312 62.300 -0.035 0.000 1.006 358 V CB -0.784 31.038 31.823 -0.001 0.000 0.641 358 V HN 0.551 nan 8.190 nan 0.000 0.446 359 I N -0.658 119.990 120.570 0.129 0.000 2.151 359 I HA -0.291 3.878 4.170 -0.000 0.000 0.243 359 I C 2.440 178.754 176.117 0.329 0.000 1.080 359 I CA 1.759 63.185 61.300 0.210 0.000 1.339 359 I CB -0.766 37.367 38.000 0.222 0.000 1.039 359 I HN 0.176 nan 8.210 nan 0.000 0.409 360 F N 1.751 121.752 119.950 0.085 0.000 2.111 360 F HA -0.274 4.253 4.527 -0.000 0.000 0.300 360 F C 2.964 178.831 175.800 0.112 0.000 1.088 360 F CA 1.913 59.959 58.000 0.076 0.000 1.243 360 F CB -1.939 37.077 39.000 0.026 0.000 0.996 360 F HN 0.270 nan 8.300 nan 0.000 0.483 361 T N -2.080 112.664 114.554 0.317 0.000 3.163 361 T HA -0.000 4.349 4.350 -0.000 0.000 0.260 361 T C 1.866 176.823 174.700 0.430 0.000 1.156 361 T CA 0.347 62.633 62.100 0.309 0.000 1.072 361 T CB -0.308 68.674 68.868 0.190 0.000 0.937 361 T HN 0.079 nan 8.240 nan 0.000 0.528 362 L N 1.008 122.408 121.223 0.295 0.000 2.127 362 L HA 0.068 4.408 4.340 -0.000 0.000 0.203 362 L C 2.858 179.903 176.870 0.291 0.000 1.080 362 L CA 0.997 55.986 54.840 0.250 0.000 0.768 362 L CB -1.054 41.093 42.059 0.146 0.000 0.924 362 L HN 0.272 nan 8.230 nan 0.000 0.444 363 V N 0.042 120.055 119.914 0.165 0.000 2.250 363 V HA -0.207 3.913 4.120 -0.000 0.000 0.250 363 V C -0.108 175.942 176.094 -0.074 0.000 1.060 363 V CA 1.755 64.024 62.300 -0.050 0.000 1.030 363 V CB -2.514 29.194 31.823 -0.193 0.000 0.643 363 V HN 0.273 nan 8.190 nan 0.000 0.445 364 P HA -0.142 nan 4.420 nan 0.000 0.219 364 P C 1.501 178.887 177.300 0.143 0.000 1.146 364 P CA 1.518 64.688 63.100 0.116 0.000 0.808 364 P CB -0.189 31.626 31.700 0.191 0.000 0.779 365 Y N -0.961 119.412 120.300 0.121 0.000 2.145 365 Y HA -0.170 4.380 4.550 -0.000 0.000 0.286 365 Y C 2.468 178.412 175.900 0.073 0.000 1.145 365 Y CA 0.957 59.100 58.100 0.072 0.000 1.148 365 Y CB -0.974 37.520 38.460 0.056 0.000 0.981 365 Y HN -0.114 nan 8.280 nan 0.000 0.507 366 L N -0.361 121.017 121.223 0.259 0.000 1.933 366 L HA -0.340 4.000 4.340 -0.000 0.000 0.220 366 L C 2.147 179.250 176.870 0.388 0.000 1.078 366 L CA 2.230 57.247 54.840 0.296 0.000 0.773 366 L CB -1.025 41.166 42.059 0.220 0.000 0.890 366 L HN 0.374 nan 8.230 nan 0.000 0.434 367 Y N 0.034 120.463 120.300 0.214 0.000 2.165 367 Y HA -0.301 4.249 4.550 -0.000 0.000 0.286 367 Y C 2.692 178.660 175.900 0.114 0.000 1.155 367 Y CA 0.930 59.133 58.100 0.172 0.000 1.164 367 Y CB -0.816 37.726 38.460 0.136 0.000 0.978 367 Y HN 0.353 nan 8.280 nan 0.000 0.513 368 T N 0.080 114.766 114.554 0.221 0.000 2.427 368 T HA -0.358 3.992 4.350 -0.000 0.000 0.244 368 T C 1.895 176.577 174.700 -0.030 0.000 1.325 368 T CA 2.064 64.172 62.100 0.014 0.000 1.173 368 T CB -0.990 67.949 68.868 0.119 0.000 0.859 368 T HN 0.484 nan 8.240 nan 0.000 0.415 369 C N 1.568 120.832 119.300 -0.060 0.000 2.411 369 C HA 0.037 4.497 4.460 -0.000 0.000 0.279 369 C C 3.152 178.216 174.990 0.123 0.000 1.288 369 C CA 0.201 59.071 59.018 -0.247 0.000 1.764 369 C CB -1.725 25.428 27.740 -0.978 0.000 1.974 369 C HN 0.721 nan 8.230 nan 0.000 0.498 370 A N 0.322 123.375 122.820 0.388 0.000 1.972 370 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 370 A C 2.309 180.007 177.584 0.190 0.000 1.169 370 A CA 2.085 54.379 52.037 0.427 0.000 0.635 370 A CB -0.580 18.631 19.000 0.352 0.000 0.810 370 A HN 0.596 nan 8.150 nan 0.000 0.446 371 A N -1.033 121.852 122.820 0.108 0.000 1.943 371 A HA 0.211 4.531 4.320 -0.000 0.000 0.213 371 A C 1.700 179.277 177.584 -0.011 0.000 1.181 371 A CA 0.997 53.059 52.037 0.041 0.000 0.653 371 A CB -0.451 18.580 19.000 0.052 0.000 0.833 371 A HN 0.574 nan 8.150 nan 0.000 0.451 372 L N -0.369 120.809 121.223 -0.074 0.000 2.834 372 L HA 0.082 4.421 4.340 -0.000 0.000 0.252 372 L C 0.874 177.746 176.870 0.004 0.000 1.152 372 L CA 1.043 55.816 54.840 -0.111 0.000 0.898 372 L CB -0.379 41.572 42.059 -0.179 0.000 1.078 372 L HN 0.412 nan 8.230 nan 0.000 0.439 373 L N -4.011 117.247 121.223 0.058 0.000 2.877 373 L HA 0.097 4.437 4.340 -0.000 0.000 0.275 373 L C 1.319 178.187 176.870 -0.003 0.000 1.027 373 L CA -0.270 54.635 54.840 0.108 0.000 1.135 373 L CB -0.327 41.816 42.059 0.140 0.000 2.080 373 L HN -0.114 nan 8.230 nan 0.000 0.560 374 L N 0.815 122.008 121.223 -0.050 0.000 2.549 374 L HA 0.019 4.359 4.340 -0.000 0.000 0.230 374 L C 1.318 178.085 176.870 -0.171 0.000 1.162 374 L CA 1.713 56.431 54.840 -0.202 0.000 0.834 374 L CB -0.249 41.753 42.059 -0.094 0.000 0.947 374 L HN 0.224 nan 8.230 nan 0.000 0.452 375 L N -2.329 118.898 121.223 0.008 0.000 3.333 375 L HA 0.339 4.679 4.340 -0.000 0.000 0.299 375 L C 1.186 178.133 176.870 0.128 0.000 1.256 375 L CA 0.198 55.121 54.840 0.139 0.000 1.037 375 L CB 0.302 42.430 42.059 0.116 0.000 1.423 375 L HN 0.127 nan 8.230 nan 0.000 0.605 376 G N -2.101 106.768 108.800 0.116 0.000 3.899 376 G HA2 0.048 4.007 3.960 -0.000 0.000 0.293 376 G HA3 0.048 4.007 3.960 -0.000 0.000 0.293 376 G C 0.869 175.934 174.900 0.274 0.000 1.054 376 G CA -0.252 44.984 45.100 0.227 0.000 0.846 376 G HN 0.189 nan 8.290 nan 0.000 0.525 377 H N 1.175 120.311 119.070 0.109 0.000 2.400 377 H HA -0.242 4.313 4.556 -0.000 0.000 0.279 377 H C 2.054 177.406 175.328 0.040 0.000 1.139 377 H CA 2.308 58.390 56.048 0.057 0.000 1.126 377 H CB 0.207 29.983 29.762 0.023 0.000 1.352 377 H HN 0.470 nan 8.280 nan 0.000 0.468 378 G N -2.168 106.734 108.800 0.170 0.000 4.908 378 G HA2 0.113 4.073 3.960 -0.000 0.000 0.267 378 G HA3 0.113 4.073 3.960 -0.000 0.000 0.267 378 G C -0.998 173.981 174.900 0.132 0.000 0.958 378 G CA -0.220 44.929 45.100 0.081 0.000 0.743 378 G HN 0.575 nan 8.290 nan 0.000 0.410 379 H N -0.813 118.276 119.070 0.031 0.000 3.207 379 H HA -0.185 4.371 4.556 -0.000 0.000 0.291 379 H C -0.270 175.098 175.328 0.067 0.000 0.818 379 H CA 0.198 56.292 56.048 0.077 0.000 0.900 379 H CB -0.304 29.523 29.762 0.108 0.000 1.515 379 H HN 0.349 nan 8.280 nan 0.000 0.315 380 F N 2.593 122.595 119.950 0.087 0.000 2.706 380 F HA 0.160 4.687 4.527 -0.000 0.000 0.315 380 F C 1.424 177.275 175.800 0.085 0.000 1.286 380 F CA 0.932 58.978 58.000 0.077 0.000 1.424 380 F CB 0.329 39.361 39.000 0.054 0.000 1.262 380 F HN 0.489 nan 8.300 nan 0.000 0.547 381 G N 0.635 109.592 108.800 0.262 0.000 2.733 381 G HA2 0.322 4.281 3.960 -0.000 0.000 0.297 381 G HA3 0.322 4.281 3.960 -0.000 0.000 0.297 381 G C -1.425 173.651 174.900 0.293 0.000 1.452 381 G CA -0.987 44.269 45.100 0.259 0.000 0.940 381 G HN -0.014 nan 8.290 nan 0.000 0.547 382 K N 0.218 120.725 120.400 0.178 0.000 2.109 382 K HA 0.708 5.028 4.320 -0.000 0.000 0.243 382 K C 0.451 177.056 176.600 0.009 0.000 1.006 382 K CA 0.272 56.613 56.287 0.090 0.000 0.917 382 K CB 1.539 34.065 32.500 0.045 0.000 1.081 382 K HN 1.885 nan 8.250 nan 0.000 0.468 383 A N 1.411 124.208 122.820 -0.039 0.000 1.641 383 A HA -0.166 4.154 4.320 -0.000 0.000 0.211 383 A C 0.801 178.302 177.584 -0.139 0.000 1.300 383 A CA 0.921 52.894 52.037 -0.107 0.000 0.653 383 A CB -0.978 17.924 19.000 -0.164 0.000 1.164 383 A HN 0.974 nan 8.150 nan 0.000 0.206 384 R N 2.650 123.074 120.500 -0.127 0.000 2.056 384 R HA -0.030 4.309 4.340 -0.000 0.000 0.227 384 R C -0.717 175.507 176.300 -0.127 0.000 1.149 384 R CA 1.491 57.482 56.100 -0.183 0.000 0.937 384 R CB -0.638 29.561 30.300 -0.169 0.000 0.835 384 R HN 0.562 nan 8.270 nan 0.000 0.430 385 P HA -0.127 nan 4.420 nan 0.000 0.216 385 P C 0.831 178.108 177.300 -0.039 0.000 1.150 385 P CA 1.958 65.025 63.100 -0.054 0.000 0.843 385 P CB -0.120 31.549 31.700 -0.051 0.000 0.787 386 A N -0.986 121.782 122.820 -0.088 0.000 1.859 386 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 386 A C 2.106 179.694 177.584 0.007 0.000 1.198 386 A CA 1.743 53.721 52.037 -0.098 0.000 0.629 386 A CB -2.058 16.806 19.000 -0.227 0.000 0.830 386 A HN 0.106 nan 8.150 nan 0.000 0.446 387 Y N -0.414 119.900 120.300 0.023 0.000 2.274 387 Y HA -0.087 4.463 4.550 -0.000 0.000 0.290 387 Y C 2.215 178.147 175.900 0.054 0.000 1.145 387 Y CA 0.303 58.445 58.100 0.070 0.000 1.203 387 Y CB -0.641 37.971 38.460 0.253 0.000 0.984 387 Y HN 0.220 nan 8.280 nan 0.000 0.533 388 L N -1.013 120.305 121.223 0.158 0.000 2.191 388 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 388 L C 2.188 179.117 176.870 0.098 0.000 1.103 388 L CA 1.370 56.269 54.840 0.097 0.000 0.769 388 L CB -0.619 41.454 42.059 0.023 0.000 0.908 388 L HN 0.280 nan 8.230 nan 0.000 0.438 389 A N -0.621 122.248 122.820 0.081 0.000 1.832 389 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 389 A C 2.134 179.766 177.584 0.080 0.000 1.242 389 A CA 1.177 53.254 52.037 0.067 0.000 0.603 389 A CB -0.929 18.093 19.000 0.036 0.000 0.902 389 A HN 0.129 nan 8.150 nan 0.000 0.455 390 V N 1.305 121.263 119.914 0.073 0.000 2.280 390 V HA -0.374 3.746 4.120 -0.000 0.000 0.258 390 V C 2.924 179.035 176.094 0.029 0.000 1.081 390 V CA 2.947 65.276 62.300 0.047 0.000 1.070 390 V CB -1.792 30.070 31.823 0.064 0.000 0.666 390 V HN 0.845 nan 8.190 nan 0.000 0.450 391 T N -3.013 111.580 114.554 0.065 0.000 2.746 391 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 391 T C 1.775 176.575 174.700 0.167 0.000 1.039 391 T CA 1.904 64.025 62.100 0.035 0.000 1.142 391 T CB -0.799 68.136 68.868 0.111 0.000 0.866 391 T HN 0.508 nan 8.240 nan 0.000 0.444 392 T N 2.327 117.045 114.554 0.272 0.000 2.684 392 T HA 0.035 4.385 4.350 -0.000 0.000 0.267 392 T C 1.947 176.794 174.700 0.246 0.000 1.036 392 T CA 1.248 63.552 62.100 0.340 0.000 1.148 392 T CB -0.533 68.443 68.868 0.180 0.000 0.863 392 T HN 0.334 nan 8.240 nan 0.000 0.436 393 I N 1.227 121.870 120.570 0.123 0.000 2.194 393 I HA -0.263 3.907 4.170 -0.000 0.000 0.246 393 I C 2.900 179.063 176.117 0.078 0.000 1.093 393 I CA 1.295 62.640 61.300 0.075 0.000 1.355 393 I CB -0.510 37.505 38.000 0.024 0.000 1.046 393 I HN 0.228 nan 8.210 nan 0.000 0.413 394 A N 0.511 123.329 122.820 -0.003 0.000 1.940 394 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 394 A C 2.032 179.617 177.584 0.000 0.000 1.176 394 A CA 1.563 53.542 52.037 -0.096 0.000 0.631 394 A CB -0.878 17.970 19.000 -0.254 0.000 0.814 394 A HN 0.332 nan 8.150 nan 0.000 0.446 395 F N -0.051 119.974 119.950 0.125 0.000 2.146 395 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 395 F C 2.157 178.059 175.800 0.171 0.000 1.096 395 F CA 0.931 59.020 58.000 0.148 0.000 1.275 395 F CB -0.556 38.514 39.000 0.117 0.000 1.008 395 F HN 0.102 nan 8.300 nan 0.000 0.480 396 L N -1.182 120.236 121.223 0.326 0.000 1.932 396 L HA -0.321 4.019 4.340 -0.000 0.000 0.217 396 L C 2.444 179.491 176.870 0.296 0.000 1.077 396 L CA 2.082 57.071 54.840 0.249 0.000 0.765 396 L CB -1.196 40.925 42.059 0.104 0.000 0.888 396 L HN 0.153 nan 8.230 nan 0.000 0.433 397 Y N 0.258 120.617 120.300 0.098 0.000 2.073 397 Y HA -0.438 4.112 4.550 -0.000 0.000 0.270 397 Y C 2.708 178.687 175.900 0.132 0.000 1.226 397 Y CA 2.022 60.179 58.100 0.094 0.000 1.117 397 Y CB -0.983 37.489 38.460 0.019 0.000 0.939 397 Y HN 0.267 nan 8.280 nan 0.000 0.504 398 C N -0.144 119.413 119.300 0.427 0.000 2.440 398 C HA -0.139 4.320 4.460 -0.000 0.000 0.278 398 C C 2.913 178.028 174.990 0.207 0.000 1.295 398 C CA 1.171 60.363 59.018 0.290 0.000 1.738 398 C CB -1.362 26.557 27.740 0.299 0.000 1.987 398 C HN 0.704 nan 8.230 nan 0.000 0.492 399 I N -0.795 119.934 120.570 0.265 0.000 2.333 399 I HA -0.169 4.000 4.170 -0.000 0.000 0.246 399 I C 2.543 178.781 176.117 0.201 0.000 1.106 399 I CA 1.276 62.717 61.300 0.234 0.000 1.411 399 I CB -0.361 37.798 38.000 0.265 0.000 1.082 399 I HN 0.631 nan 8.210 nan 0.000 0.420 400 W N 1.576 122.886 121.300 0.017 0.000 2.378 400 W HA -0.177 4.483 4.660 -0.000 0.000 0.313 400 W C 2.264 178.731 176.519 -0.086 0.000 1.197 400 W CA 1.493 58.818 57.345 -0.033 0.000 1.304 400 W CB -0.033 29.402 29.460 -0.041 0.000 1.148 400 W HN 0.096 nan 8.180 nan 0.000 0.494 401 A N 0.008 122.850 122.820 0.037 0.000 2.264 401 A HA 0.063 4.383 4.320 -0.000 0.000 0.207 401 A C 1.363 178.901 177.584 -0.077 0.000 1.196 401 A CA 1.436 53.416 52.037 -0.095 0.000 0.778 401 A CB -0.422 18.445 19.000 -0.221 0.000 0.779 401 A HN 0.154 nan 8.150 nan 0.000 0.483 402 V N -2.693 117.186 119.914 -0.058 0.000 3.408 402 V HA -0.006 4.114 4.120 -0.000 0.000 0.263 402 V C 2.007 178.051 176.094 -0.083 0.000 1.503 402 V CA 0.753 63.033 62.300 -0.032 0.000 1.046 402 V CB 0.569 32.422 31.823 0.050 0.000 0.851 402 V HN 0.251 nan 8.190 nan 0.000 0.435 403 V N 1.357 121.192 119.914 -0.132 0.000 2.343 403 V HA -0.005 4.115 4.120 -0.000 0.000 0.247 403 V C 1.522 177.427 176.094 -0.316 0.000 1.051 403 V CA 2.204 64.376 62.300 -0.213 0.000 1.036 403 V CB -0.135 31.529 31.823 -0.264 0.000 0.654 403 V HN 0.553 nan 8.190 nan 0.000 0.451 404 G N -0.555 107.999 108.800 -0.411 0.000 3.727 404 G HA2 0.538 4.498 3.960 -0.000 0.000 0.301 404 G HA3 0.538 4.498 3.960 -0.000 0.000 0.301 404 G C -0.350 174.361 174.900 -0.315 0.000 1.128 404 G CA 0.372 45.229 45.100 -0.406 0.000 1.545 404 G HN 0.374 nan 8.290 nan 0.000 0.555 405 S N -0.524 115.017 115.700 -0.265 0.000 2.688 405 S HA 0.737 5.207 4.470 -0.000 0.000 0.275 405 S C 0.502 174.956 174.600 -0.243 0.000 1.175 405 S CA -0.081 57.959 58.200 -0.266 0.000 0.818 405 S CB 1.013 64.081 63.200 -0.221 0.000 1.157 405 S HN 0.833 nan 8.310 nan 0.000 0.482 406 G N 0.860 109.498 108.800 -0.270 0.000 2.321 406 G HA2 0.392 4.352 3.960 -0.000 0.000 0.237 406 G HA3 0.392 4.352 3.960 -0.000 0.000 0.237 406 G C 1.032 175.811 174.900 -0.203 0.000 1.282 406 G CA 0.331 45.258 45.100 -0.288 0.000 0.886 406 G HN 0.935 nan 8.290 nan 0.000 0.528 407 A N 2.591 125.278 122.820 -0.221 0.000 1.968 407 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 407 A C 2.334 179.767 177.584 -0.252 0.000 1.169 407 A CA 1.729 53.641 52.037 -0.208 0.000 0.638 407 A CB -0.150 18.728 19.000 -0.203 0.000 0.812 407 A HN 0.620 nan 8.150 nan 0.000 0.446 408 K N 0.472 120.698 120.400 -0.291 0.000 2.062 408 K HA -0.057 4.263 4.320 -0.000 0.000 0.205 408 K C 1.757 178.101 176.600 -0.427 0.000 1.051 408 K CA 1.562 57.568 56.287 -0.468 0.000 0.941 408 K CB -0.271 31.986 32.500 -0.405 0.000 0.719 408 K HN 0.597 nan 8.250 nan 0.000 0.440 409 E N 0.498 120.620 120.200 -0.130 0.000 2.033 409 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 409 E C 2.017 178.708 176.600 0.150 0.000 1.011 409 E CA 1.653 58.105 56.400 0.087 0.000 0.815 409 E CB -0.438 29.322 29.700 0.099 0.000 0.755 409 E HN -0.021 nan 8.360 nan 0.000 0.451 410 V N 1.628 121.578 119.914 0.060 0.000 2.223 410 V HA -0.344 3.776 4.120 -0.000 0.000 0.244 410 V C 2.484 178.687 176.094 0.181 0.000 1.045 410 V CA 2.244 64.617 62.300 0.121 0.000 1.000 410 V CB -0.738 31.109 31.823 0.041 0.000 0.635 410 V HN 0.458 nan 8.190 nan 0.000 0.445 411 M N -0.860 118.758 119.600 0.030 0.000 2.153 411 M HA -0.322 4.158 4.480 -0.000 0.000 0.253 411 M C 1.995 178.501 176.300 0.344 0.000 1.081 411 M CA 2.592 57.899 55.300 0.011 0.000 1.076 411 M CB -1.082 31.381 32.600 -0.227 0.000 1.350 411 M HN 0.381 nan 8.290 nan 0.000 0.401 412 W N 0.556 121.934 121.300 0.129 0.000 2.354 412 W HA -0.162 4.498 4.660 0.000 0.000 0.315 412 W C 2.722 179.427 176.519 0.310 0.000 1.206 412 W CA 0.613 58.062 57.345 0.172 0.000 1.290 412 W CB -0.439 29.079 29.460 0.097 0.000 1.152 412 W HN 0.343 nan 8.180 nan 0.000 0.489 413 S N 0.614 116.707 115.700 0.656 0.000 2.369 413 S HA -0.327 4.143 4.470 -0.000 0.000 0.225 413 S C 1.417 176.291 174.600 0.458 0.000 1.043 413 S CA 1.957 60.612 58.200 0.758 0.000 1.074 413 S CB -1.097 62.469 63.200 0.611 0.000 0.962 413 S HN 0.338 nan 8.310 nan 0.000 0.433 414 F N 2.143 122.249 119.950 0.261 0.000 2.120 414 F HA -0.209 4.317 4.527 -0.000 0.000 0.300 414 F C 2.112 178.023 175.800 0.184 0.000 1.095 414 F CA 1.247 59.358 58.000 0.184 0.000 1.249 414 F CB -0.271 38.826 39.000 0.163 0.000 0.995 414 F HN -0.015 nan 8.300 nan 0.000 0.480 415 V N -0.169 120.128 119.914 0.638 0.000 2.392 415 V HA -0.357 3.763 4.120 -0.000 0.000 0.249 415 V C 2.246 178.469 176.094 0.215 0.000 1.059 415 V CA 2.432 64.998 62.300 0.443 0.000 1.051 415 V CB -1.195 30.924 31.823 0.494 0.000 0.658 415 V HN 0.442 nan 8.190 nan 0.000 0.455 416 T N -0.081 114.586 114.554 0.189 0.000 2.867 416 T HA -0.031 4.318 4.350 -0.000 0.000 0.268 416 T C 1.883 176.541 174.700 -0.070 0.000 1.057 416 T CA 1.036 63.156 62.100 0.034 0.000 1.136 416 T CB -0.170 68.676 68.868 -0.037 0.000 0.874 416 T HN 0.254 nan 8.240 nan 0.000 0.466 417 L N 0.528 121.705 121.223 -0.078 0.000 2.046 417 L HA -0.070 4.270 4.340 -0.000 0.000 0.208 417 L C 2.597 179.410 176.870 -0.095 0.000 1.077 417 L CA 1.490 56.245 54.840 -0.142 0.000 0.747 417 L CB -0.493 41.437 42.059 -0.214 0.000 0.896 417 L HN 0.391 nan 8.230 nan 0.000 0.432 418 M N -1.504 118.052 119.600 -0.073 0.000 2.159 418 M HA -0.199 4.281 4.480 -0.000 0.000 0.263 418 M C 2.264 178.580 176.300 0.028 0.000 1.063 418 M CA 1.353 56.655 55.300 0.003 0.000 1.110 418 M CB -0.422 32.228 32.600 0.084 0.000 1.374 418 M HN 0.142 nan 8.290 nan 0.000 0.411 419 V N 0.275 120.198 119.914 0.014 0.000 2.535 419 V HA -0.131 3.989 4.120 -0.000 0.000 0.246 419 V C 2.048 178.110 176.094 -0.053 0.000 1.045 419 V CA 1.046 63.348 62.300 0.003 0.000 1.058 419 V CB -0.042 31.790 31.823 0.014 0.000 0.689 419 V HN 0.321 nan 8.190 nan 0.000 0.461 420 I N -0.102 120.404 120.570 -0.105 0.000 2.052 420 I HA -0.300 3.870 4.170 -0.000 0.000 0.235 420 I C 2.329 178.263 176.117 -0.305 0.000 1.046 420 I CA 2.283 63.450 61.300 -0.221 0.000 1.308 420 I CB -0.539 37.314 38.000 -0.246 0.000 1.031 420 I HN 0.354 nan 8.210 nan 0.000 0.395 421 T N 0.702 115.170 114.554 -0.144 0.000 1.993 421 T HA -0.396 3.954 4.350 -0.000 0.000 0.146 421 T C 1.557 176.276 174.700 0.031 0.000 1.952 421 T CA 2.170 64.320 62.100 0.084 0.000 1.122 421 T CB -0.730 68.269 68.868 0.218 0.000 0.869 421 T HN 0.572 nan 8.240 nan 0.000 0.372 422 A N 0.603 123.472 122.820 0.080 0.000 2.298 422 A HA -0.071 4.249 4.320 -0.000 0.000 0.215 422 A C 1.948 179.567 177.584 0.059 0.000 1.193 422 A CA 1.499 53.593 52.037 0.095 0.000 0.697 422 A CB -0.929 18.128 19.000 0.096 0.000 0.774 422 A HN 0.673 nan 8.150 nan 0.000 0.492 423 M N -1.176 118.412 119.600 -0.018 0.000 2.563 423 M HA 0.132 4.612 4.480 -0.000 0.000 0.231 423 M C -0.352 175.991 176.300 0.071 0.000 1.136 423 M CA 0.334 55.627 55.300 -0.013 0.000 1.026 423 M CB 0.048 32.621 32.600 -0.045 0.000 1.597 423 M HN 0.537 nan 8.290 nan 0.000 0.495 424 Y N -0.371 119.942 120.300 0.021 0.000 2.903 424 Y HA 0.288 4.838 4.550 -0.000 0.000 0.387 424 Y C 1.225 177.000 175.900 -0.207 0.000 1.189 424 Y CA -0.802 57.269 58.100 -0.048 0.000 1.856 424 Y CB 0.028 38.539 38.460 0.085 0.000 1.917 424 Y HN 0.315 nan 8.280 nan 0.000 0.448 425 A N 0.446 123.170 122.820 -0.161 0.000 2.085 425 A HA -0.015 4.305 4.320 -0.000 0.000 0.208 425 A C 1.584 178.788 177.584 -0.633 0.000 1.191 425 A CA -0.052 51.560 52.037 -0.709 0.000 0.799 425 A CB -0.175 18.767 19.000 -0.098 0.000 0.877 425 A HN 0.622 nan 8.150 nan 0.000 0.473 426 L N 0.468 121.560 121.223 -0.219 0.000 2.757 426 L HA 0.000 4.340 4.340 -0.000 0.000 0.243 426 L C -0.177 176.551 176.870 -0.236 0.000 1.182 426 L CA 1.087 55.841 54.840 -0.142 0.000 0.851 426 L CB -0.640 41.422 42.059 0.006 0.000 0.989 426 L HN 0.390 nan 8.230 nan 0.000 0.457 427 N N -0.723 117.723 118.700 -0.424 0.000 2.827 427 N HA 0.073 4.813 4.740 -0.000 0.000 0.240 427 N C -1.522 173.774 175.510 -0.356 0.000 1.352 427 N CA -0.359 52.466 53.050 -0.374 0.000 0.760 427 N CB 0.607 38.841 38.487 -0.422 0.000 1.426 427 N HN -0.002 nan 8.380 nan 0.000 0.561 428 Y N 1.165 121.456 120.300 -0.015 0.000 2.602 428 Y HA 0.393 4.943 4.550 -0.000 0.000 0.373 428 Y C 0.178 176.074 175.900 -0.008 0.000 0.960 428 Y CA -0.995 57.108 58.100 0.004 0.000 1.281 428 Y CB -0.102 38.367 38.460 0.015 0.000 1.308 428 Y HN 0.333 nan 8.280 nan 0.000 0.595 429 N N 0.152 118.923 118.700 0.119 0.000 2.528 429 N HA 0.065 4.805 4.740 -0.000 0.000 0.266 429 N C 0.760 176.289 175.510 0.033 0.000 1.528 429 N CA -0.103 52.980 53.050 0.056 0.000 0.959 429 N CB 0.478 38.972 38.487 0.010 0.000 1.430 429 N HN 0.415 nan 8.380 nan 0.000 0.511 430 R N -0.254 120.284 120.500 0.064 0.000 1.950 430 R HA 0.737 5.077 4.340 -0.000 0.000 0.197 430 R C 1.489 177.838 176.300 0.082 0.000 1.471 430 R CA 0.796 56.935 56.100 0.065 0.000 1.156 430 R CB -0.373 29.982 30.300 0.091 0.000 0.905 430 R HN 0.014 nan 8.270 nan 0.000 0.489 431 L N -1.242 120.048 121.223 0.111 0.000 1.388 431 L HA 0.133 4.473 4.340 -0.000 0.000 0.034 431 L C 1.057 177.993 176.870 0.110 0.000 1.735 431 L CA 0.332 55.232 54.840 0.100 0.000 0.977 431 L CB -1.978 40.140 42.059 0.099 0.000 1.747 431 L HN 0.958 nan 8.230 nan 0.000 0.388 432 H N 0.218 119.373 119.070 0.142 0.000 3.135 432 H HA 0.516 5.072 4.556 -0.000 0.000 0.345 432 H C 1.821 177.177 175.328 0.046 0.000 1.112 432 H CA 2.422 58.529 56.048 0.099 0.000 1.349 432 H CB -0.648 29.190 29.762 0.127 0.000 1.262 432 H HN 2.643 nan 8.280 nan 0.000 0.603 433 K N -0.464 119.948 120.400 0.019 0.000 3.333 433 K HA -0.146 4.174 4.320 -0.000 0.000 0.267 433 K C 0.879 177.485 176.600 0.011 0.000 0.863 433 K CA 2.386 58.676 56.287 0.005 0.000 0.646 433 K CB -2.905 29.586 32.500 -0.015 0.000 1.499 433 K HN 2.393 nan 8.250 nan 0.000 0.461 434 N N 0.681 119.394 118.700 0.021 0.000 2.178 434 N HA 0.553 5.292 4.740 -0.000 0.000 0.222 434 N C -0.591 174.924 175.510 0.009 0.000 1.350 434 N CA 0.661 53.722 53.050 0.019 0.000 0.874 434 N CB -0.410 38.090 38.487 0.023 0.000 1.086 434 N HN 0.776 nan 8.380 nan 0.000 0.452 435 P HA 0.000 nan 4.420 nan 0.000 0.216 435 P CA 0.000 63.101 63.100 0.002 0.000 0.800 435 P CB 0.000 31.700 31.700 -0.001 0.000 0.726