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 1upa_1_D DATA FIRST_RESID 12 DATA SEQUENCE PTAAHALLSR LRDHGVGKVF GVVGREAASI LFDEVEGIDF VLTRHEFTAG DATA SEQUENCE VAADVLARIT GRPQACWATL GPGXTNLSTG IATSVLDRSP VIALAAQSES DATA SEQUENCE HDIFPNDTHQ CLDSVAIVAP XSKYAVELQR PHEITDLVDS AVNAAXTEPV DATA SEQUENCE GPSFISLPVD LLGSSEGIDT XXXNPPANTP AKPVGVVADG WQKAADQAAA DATA SEQUENCE LLAEAKHPVL VVGAAAIRSG AVPAIRALAE RLNIPVITTY IAKGVLPVGH DATA SEQUENCE ELNYGAVTGY XDGILNFPAL QTXFAPVDLV LTVGYDYAED LRPSXWQKGI DATA SEQUENCE EKKTVRISPT VNPIPRVYRP DVDVVTDVLA FVEHFETATA SFGAKQRHDI DATA SEQUENCE EPLRARIAEF LADPETYEDG XRVHQVIDSX NTVXEEAAEP GEGTIVSDIG DATA SEQUENCE FFRHYGVLFA RADQPFGFLT SAGCSSFGYG IPAAIGAQXA RPDQPTFLIA DATA SEQUENCE GDGGFHSNSS DLETIARLNL PIVTVVVNND TNGLIELYQN IGHHRSHDPA DATA SEQUENCE VKFGGVDFVA LAEANGVDAT RATNREELLA ALRKGAELGR PFLIEVPVNY DATA SEQUENCE DFQPGGFGAL S 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 12 P HA 0.000 nan 4.420 nan 0.000 0.216 12 P C 0.000 177.271 177.300 -0.049 0.000 1.155 12 P CA 0.000 63.064 63.100 -0.061 0.000 0.800 12 P CB 0.000 31.626 31.700 -0.123 0.000 0.726 13 T N 0.036 114.588 114.554 -0.004 0.000 2.926 13 T HA 0.657 5.007 4.350 0.000 0.000 0.289 13 T C 1.234 175.952 174.700 0.029 0.000 1.054 13 T CA 0.192 62.298 62.100 0.010 0.000 1.015 13 T CB 1.708 70.581 68.868 0.009 0.000 1.167 13 T HN 0.331 nan 8.240 nan 0.000 0.526 14 A N 0.700 123.534 122.820 0.024 0.000 2.070 14 A HA 0.128 4.448 4.320 0.000 0.000 0.220 14 A C 2.343 179.948 177.584 0.035 0.000 1.159 14 A CA 2.049 54.105 52.037 0.031 0.000 0.656 14 A CB -0.997 18.017 19.000 0.024 0.000 0.800 14 A HN 0.881 nan 8.150 nan 0.000 0.453 15 A N -0.821 122.007 122.820 0.013 0.000 1.877 15 A HA -0.203 4.117 4.320 0.000 0.000 0.216 15 A C 2.004 179.576 177.584 -0.020 0.000 1.186 15 A CA 1.912 53.923 52.037 -0.042 0.000 0.620 15 A CB -0.942 17.981 19.000 -0.128 0.000 0.822 15 A HN 0.810 nan 8.150 nan 0.000 0.443 16 H N -0.638 118.383 119.070 -0.081 0.000 2.321 16 H HA -0.005 4.551 4.556 0.000 0.000 0.300 16 H C 2.236 177.540 175.328 -0.039 0.000 1.087 16 H CA 1.489 57.498 56.048 -0.064 0.000 1.319 16 H CB -0.071 29.660 29.762 -0.051 0.000 1.379 16 H HN 0.442 nan 8.280 nan 0.000 0.501 17 A N 0.772 123.707 122.820 0.191 0.000 1.933 17 A HA -0.137 4.183 4.320 0.000 0.000 0.218 17 A C 2.323 179.954 177.584 0.078 0.000 1.175 17 A CA 1.467 53.575 52.037 0.119 0.000 0.628 17 A CB -0.752 18.280 19.000 0.053 0.000 0.814 17 A HN 0.510 nan 8.150 nan 0.000 0.444 18 L N -0.142 121.120 121.223 0.064 0.000 1.976 18 L HA -0.098 4.242 4.340 0.000 0.000 0.209 18 L C 2.258 179.163 176.870 0.058 0.000 1.071 18 L CA 1.890 56.769 54.840 0.066 0.000 0.746 18 L CB -0.730 41.389 42.059 0.100 0.000 0.890 18 L HN 0.374 nan 8.230 nan 0.000 0.432 19 L N -0.686 120.553 121.223 0.025 0.000 2.083 19 L HA -0.196 4.144 4.340 0.000 0.000 0.209 19 L C 2.757 179.621 176.870 -0.011 0.000 1.083 19 L CA 1.527 56.369 54.840 0.003 0.000 0.752 19 L CB -0.802 41.211 42.059 -0.078 0.000 0.899 19 L HN 0.491 nan 8.230 nan 0.000 0.433 20 S N -0.229 115.471 115.700 -0.001 0.000 2.402 20 S HA -0.203 4.267 4.470 0.000 0.000 0.229 20 S C 2.167 176.760 174.600 -0.013 0.000 1.021 20 S CA 1.159 59.369 58.200 0.017 0.000 0.974 20 S CB -0.065 63.219 63.200 0.141 0.000 0.800 20 S HN 0.251 nan 8.310 nan 0.000 0.484 21 R N 0.915 121.400 120.500 -0.026 0.000 2.119 21 R HA 0.279 4.619 4.340 0.000 0.000 0.222 21 R C 2.155 178.349 176.300 -0.176 0.000 1.088 21 R CA 1.098 57.126 56.100 -0.120 0.000 0.984 21 R CB -0.913 29.328 30.300 -0.099 0.000 0.884 21 R HN 0.485 nan 8.270 nan 0.000 0.447 22 L N 0.142 121.341 121.223 -0.041 0.000 2.046 22 L HA -0.135 4.205 4.340 0.000 0.000 0.208 22 L C 2.687 179.569 176.870 0.019 0.000 1.077 22 L CA 1.408 56.265 54.840 0.029 0.000 0.747 22 L CB -0.472 41.642 42.059 0.092 0.000 0.896 22 L HN 0.188 nan 8.230 nan 0.000 0.432 23 R N 0.442 120.940 120.500 -0.003 0.000 2.096 23 R HA -0.176 4.164 4.340 0.000 0.000 0.235 23 R C 1.681 177.977 176.300 -0.006 0.000 1.127 23 R CA 1.747 57.848 56.100 0.002 0.000 0.968 23 R CB -0.442 29.853 30.300 -0.009 0.000 0.861 23 R HN 0.375 nan 8.270 nan 0.000 0.440 24 D N -0.275 120.089 120.400 -0.060 0.000 2.182 24 D HA -0.156 4.484 4.640 0.000 0.000 0.201 24 D C 1.254 177.554 176.300 -0.001 0.000 0.986 24 D CA 1.128 55.085 54.000 -0.071 0.000 0.847 24 D CB -0.304 40.400 40.800 -0.160 0.000 0.942 24 D HN 0.346 nan 8.370 nan 0.000 0.467 25 H N -0.871 118.215 119.070 0.025 0.000 2.536 25 H HA 0.320 4.876 4.556 0.000 0.000 0.276 25 H C 1.575 176.918 175.328 0.025 0.000 1.019 25 H CA 0.565 56.627 56.048 0.023 0.000 1.159 25 H CB 0.208 29.985 29.762 0.024 0.000 1.373 25 H HN 0.215 nan 8.280 nan 0.000 0.584 26 G N 0.146 109.019 108.800 0.122 0.000 2.175 26 G HA2 -0.274 3.686 3.960 0.000 0.000 0.244 26 G HA3 -0.274 3.686 3.960 0.000 0.000 0.244 26 G C 0.181 175.121 174.900 0.067 0.000 0.982 26 G CA 0.238 45.386 45.100 0.079 0.000 0.641 26 G HN 0.249 nan 8.290 nan 0.000 0.527 27 V N 0.875 120.835 119.914 0.076 0.000 2.508 27 V HA 0.558 4.678 4.120 0.000 0.000 0.281 27 V C 1.543 177.655 176.094 0.031 0.000 1.041 27 V CA 1.120 63.459 62.300 0.064 0.000 1.016 27 V CB 1.350 33.225 31.823 0.087 0.000 0.984 27 V HN 0.609 nan 8.190 nan 0.000 0.478 28 G N 4.529 113.335 108.800 0.009 0.000 2.944 28 G HA2 0.177 4.137 3.960 0.000 0.000 0.220 28 G HA3 0.177 4.137 3.960 0.000 0.000 0.220 28 G C 0.446 175.300 174.900 -0.078 0.000 1.100 28 G CA -0.113 44.973 45.100 -0.023 0.000 0.780 28 G HN 0.491 nan 8.290 nan 0.000 0.539 29 K N 0.592 120.922 120.400 -0.117 0.000 2.422 29 K HA 0.629 4.949 4.320 0.000 0.000 0.251 29 K C -1.550 174.873 176.600 -0.294 0.000 0.933 29 K CA -0.639 55.461 56.287 -0.312 0.000 0.798 29 K CB 3.018 35.188 32.500 -0.551 0.000 1.238 29 K HN -0.122 nan 8.250 nan 0.000 0.428 30 V N 3.408 123.069 119.914 -0.422 0.000 2.407 30 V HA 0.411 4.531 4.120 0.000 0.000 0.291 30 V C -0.796 174.819 176.094 -0.797 0.000 1.018 30 V CA -0.854 61.241 62.300 -0.342 0.000 0.842 30 V CB 0.673 32.446 31.823 -0.084 0.000 0.996 30 V HN 0.525 nan 8.190 nan 0.000 0.426 31 F N 3.084 122.790 119.950 -0.406 0.000 2.394 31 F HA 0.839 5.366 4.527 0.000 0.000 0.340 31 F C 0.999 176.545 175.800 -0.423 0.000 1.105 31 F CA 0.338 58.048 58.000 -0.484 0.000 1.124 31 F CB 1.741 40.591 39.000 -0.251 0.000 1.145 31 F HN 0.709 nan 8.300 nan 0.000 0.505 32 G N 0.939 109.531 108.800 -0.347 0.000 2.321 32 G HA2 0.457 4.417 3.960 0.000 0.000 0.296 32 G HA3 0.457 4.417 3.960 0.000 0.000 0.296 32 G C -2.349 172.736 174.900 0.308 0.000 1.287 32 G CA -0.818 44.346 45.100 0.107 0.000 0.846 32 G HN 0.447 nan 8.290 nan 0.000 0.508 33 V N 0.202 120.353 119.914 0.395 0.000 2.448 33 V HA 0.610 4.730 4.120 0.000 0.000 0.295 33 V C 0.081 176.405 176.094 0.383 0.000 1.025 33 V CA -0.761 61.737 62.300 0.330 0.000 0.859 33 V CB 1.434 33.362 31.823 0.175 0.000 0.988 33 V HN 0.704 nan 8.190 nan 0.000 0.431 34 V N 4.152 124.185 119.914 0.198 0.000 2.439 34 V HA 0.719 4.839 4.120 0.000 0.000 0.282 34 V C 0.902 177.083 176.094 0.144 0.000 1.039 34 V CA 0.293 62.679 62.300 0.144 0.000 0.913 34 V CB 1.051 32.752 31.823 -0.203 0.000 0.983 34 V HN 0.989 nan 8.190 nan 0.000 0.460 35 G N 3.950 112.873 108.800 0.205 0.000 2.849 35 G HA2 0.296 4.256 3.960 0.000 0.000 0.174 35 G HA3 0.296 4.256 3.960 0.000 0.000 0.174 35 G C 0.836 175.805 174.900 0.115 0.000 1.370 35 G CA -0.231 44.949 45.100 0.134 0.000 1.040 35 G HN 0.746 nan 8.290 nan 0.000 0.582 36 R N 0.068 120.627 120.500 0.097 0.000 2.285 36 R HA -0.004 4.336 4.340 0.000 0.000 0.213 36 R C 1.629 177.978 176.300 0.082 0.000 1.068 36 R CA 1.654 57.801 56.100 0.079 0.000 1.004 36 R CB -0.246 30.099 30.300 0.076 0.000 0.873 36 R HN 0.547 nan 8.270 nan 0.000 0.467 37 E N 1.628 121.901 120.200 0.122 0.000 2.463 37 E HA -0.141 4.209 4.350 0.000 0.000 0.201 37 E C 1.451 178.107 176.600 0.094 0.000 1.045 37 E CA 1.107 57.590 56.400 0.138 0.000 0.872 37 E CB -0.044 29.809 29.700 0.255 0.000 0.797 37 E HN 0.492 nan 8.360 nan 0.000 0.538 38 A N 1.606 124.466 122.820 0.065 0.000 2.076 38 A HA 0.017 4.338 4.320 0.000 0.000 0.220 38 A C 2.452 180.018 177.584 -0.029 0.000 1.160 38 A CA 1.647 53.679 52.037 -0.008 0.000 0.653 38 A CB -0.567 18.426 19.000 -0.012 0.000 0.801 38 A HN 0.430 nan 8.150 nan 0.000 0.455 39 A N -1.068 121.751 122.820 -0.001 0.000 2.067 39 A HA 0.026 4.346 4.320 0.000 0.000 0.219 39 A C 2.223 179.796 177.584 -0.019 0.000 1.158 39 A CA 1.861 53.894 52.037 -0.006 0.000 0.661 39 A CB -0.347 18.660 19.000 0.012 0.000 0.801 39 A HN 0.426 nan 8.150 nan 0.000 0.452 40 S N -1.837 113.851 115.700 -0.020 0.000 2.497 40 S HA 0.386 4.856 4.470 0.000 0.000 0.218 40 S C 0.294 174.832 174.600 -0.103 0.000 1.023 40 S CA -0.024 58.156 58.200 -0.033 0.000 0.913 40 S CB 0.141 63.344 63.200 0.006 0.000 0.800 40 S HN 0.507 nan 8.310 nan 0.000 0.505 41 I N 1.015 121.476 120.570 -0.182 0.000 2.548 41 I HA 0.320 4.490 4.170 0.000 0.000 0.287 41 I C -0.169 175.674 176.117 -0.456 0.000 1.103 41 I CA -0.539 60.514 61.300 -0.412 0.000 1.049 41 I CB 1.360 38.965 38.000 -0.657 0.000 1.232 41 I HN 0.026 nan 8.210 nan 0.000 0.429 42 L N 6.868 127.860 121.223 -0.385 0.000 2.202 42 L HA 0.214 4.554 4.340 0.000 0.000 0.205 42 L C 0.325 177.118 176.870 -0.128 0.000 1.083 42 L CA 0.814 55.525 54.840 -0.216 0.000 0.790 42 L CB 0.002 41.979 42.059 -0.135 0.000 0.942 42 L HN 0.830 nan 8.230 nan 0.000 0.452 43 F N -0.206 119.585 119.950 -0.264 0.000 2.737 43 F HA -0.212 4.315 4.527 0.000 0.000 0.288 43 F C 0.644 176.354 175.800 -0.149 0.000 0.708 43 F CA 0.596 58.454 58.000 -0.236 0.000 1.483 43 F CB -1.851 36.969 39.000 -0.299 0.000 1.745 43 F HN 0.348 nan 8.300 nan 0.000 0.354 44 D N -1.032 119.341 120.400 -0.046 0.000 2.469 44 D HA 0.170 4.810 4.640 0.000 0.000 0.215 44 D C 1.226 177.467 176.300 -0.099 0.000 1.154 44 D CA 0.270 54.240 54.000 -0.049 0.000 0.832 44 D CB -0.048 40.728 40.800 -0.039 0.000 1.008 44 D HN 0.293 nan 8.370 nan 0.000 0.506 45 E N -0.164 119.937 120.200 -0.163 0.000 2.204 45 E HA 0.051 4.401 4.350 0.000 0.000 0.194 45 E C 0.055 176.446 176.600 -0.349 0.000 0.989 45 E CA 0.675 56.937 56.400 -0.230 0.000 0.824 45 E CB 0.392 29.927 29.700 -0.276 0.000 0.756 45 E HN 0.129 nan 8.360 nan 0.000 0.477 46 V N 1.006 120.758 119.914 -0.271 0.000 2.525 46 V HA 0.403 4.523 4.120 0.000 0.000 0.299 46 V C -0.135 175.891 176.094 -0.113 0.000 1.034 46 V CA -0.574 61.579 62.300 -0.246 0.000 0.863 46 V CB 1.176 32.846 31.823 -0.255 0.000 0.999 46 V HN 0.167 nan 8.190 nan 0.000 0.423 47 E N 2.142 122.294 120.200 -0.079 0.000 2.384 47 E HA 0.484 4.834 4.350 0.000 0.000 0.266 47 E C 1.325 177.905 176.600 -0.034 0.000 1.012 47 E CA 0.335 56.709 56.400 -0.043 0.000 0.901 47 E CB 0.766 30.449 29.700 -0.027 0.000 0.967 47 E HN 2.103 nan 8.360 nan 0.000 0.435 48 G N 0.843 109.627 108.800 -0.026 0.000 2.195 48 G HA2 -0.166 3.794 3.960 0.000 0.000 0.224 48 G HA3 -0.166 3.794 3.960 0.000 0.000 0.224 48 G C 0.281 175.168 174.900 -0.022 0.000 0.990 48 G CA 0.096 45.184 45.100 -0.020 0.000 0.639 48 G HN 0.754 nan 8.290 nan 0.000 0.514 49 I N 2.113 122.670 120.570 -0.022 0.000 2.418 49 I HA 0.359 4.529 4.170 0.000 0.000 0.287 49 I C -1.156 174.954 176.117 -0.012 0.000 1.008 49 I CA -0.611 60.679 61.300 -0.016 0.000 1.104 49 I CB 1.670 39.676 38.000 0.010 0.000 1.264 49 I HN -0.000 nan 8.210 nan 0.000 0.438 50 D N 5.926 126.293 120.400 -0.055 0.000 2.252 50 D HA 0.320 4.960 4.640 0.000 0.000 0.245 50 D C -0.680 175.547 176.300 -0.122 0.000 1.009 50 D CA -0.291 53.674 54.000 -0.060 0.000 0.870 50 D CB 2.611 43.355 40.800 -0.093 0.000 1.251 50 D HN 0.165 nan 8.370 nan 0.000 0.460 51 F N 1.188 120.991 119.950 -0.245 0.000 2.412 51 F HA 0.269 4.797 4.527 0.000 0.000 0.348 51 F C -0.221 175.374 175.800 -0.341 0.000 1.102 51 F CA -0.340 57.417 58.000 -0.404 0.000 1.196 51 F CB 0.948 39.612 39.000 -0.559 0.000 1.144 51 F HN -0.020 nan 8.300 nan 0.000 0.541 52 V N 7.723 127.068 119.914 -0.948 0.000 2.325 52 V HA 0.225 4.345 4.120 0.000 0.000 0.280 52 V C -0.644 175.154 176.094 -0.492 0.000 1.016 52 V CA -0.837 61.113 62.300 -0.582 0.000 0.818 52 V CB 1.028 32.420 31.823 -0.718 0.000 1.019 52 V HN 0.592 nan 8.190 nan 0.000 0.434 53 L N 6.358 127.512 121.223 -0.114 0.000 2.319 53 L HA 0.652 4.992 4.340 0.000 0.000 0.280 53 L C 0.711 177.604 176.870 0.040 0.000 1.099 53 L CA 0.924 55.812 54.840 0.080 0.000 0.828 53 L CB 1.321 43.491 42.059 0.184 0.000 1.150 53 L HN 0.860 nan 8.230 nan 0.000 0.442 54 T N 1.822 116.413 114.554 0.062 0.000 2.919 54 T HA 0.528 4.878 4.350 0.000 0.000 0.282 54 T C 0.940 175.691 174.700 0.085 0.000 1.020 54 T CA -0.781 61.358 62.100 0.064 0.000 0.994 54 T CB 1.273 70.175 68.868 0.057 0.000 1.180 54 T HN 0.512 nan 8.240 nan 0.000 0.566 55 R N -0.347 120.204 120.500 0.085 0.000 2.246 55 R HA 0.246 4.586 4.340 0.000 0.000 0.199 55 R C 0.462 176.859 176.300 0.162 0.000 0.984 55 R CA 0.470 56.629 56.100 0.098 0.000 1.015 55 R CB -0.651 29.690 30.300 0.069 0.000 0.930 55 R HN 0.787 nan 8.270 nan 0.000 0.475 56 H N -0.588 118.513 119.070 0.052 0.000 3.046 56 H HA 0.139 4.695 4.556 0.000 0.000 0.363 56 H C -0.229 175.156 175.328 0.094 0.000 1.203 56 H CA -0.246 55.847 56.048 0.075 0.000 1.169 56 H CB 1.945 31.754 29.762 0.079 0.000 1.851 56 H HN -0.211 nan 8.280 nan 0.000 0.546 57 E N 2.638 122.733 120.200 -0.175 0.000 2.204 57 E HA -0.108 4.242 4.350 0.000 0.000 0.194 57 E C 1.507 178.176 176.600 0.116 0.000 0.989 57 E CA 0.977 57.366 56.400 -0.019 0.000 0.824 57 E CB -0.018 29.638 29.700 -0.073 0.000 0.756 57 E HN 0.447 nan 8.360 nan 0.000 0.477 58 F N 1.233 121.274 119.950 0.150 0.000 2.134 58 F HA -0.217 4.310 4.527 0.000 0.000 0.299 58 F C 1.974 177.818 175.800 0.073 0.000 1.097 58 F CA 1.615 59.713 58.000 0.164 0.000 1.264 58 F CB -0.636 38.526 39.000 0.270 0.000 1.001 58 F HN -0.094 nan 8.300 nan 0.000 0.479 59 T N 0.826 115.345 114.554 -0.058 0.000 2.746 59 T HA -0.158 4.192 4.350 0.000 0.000 0.267 59 T C 2.252 176.788 174.700 -0.274 0.000 1.039 59 T CA 1.439 63.384 62.100 -0.258 0.000 1.142 59 T CB -0.855 67.975 68.868 -0.064 0.000 0.866 59 T HN 0.391 nan 8.240 nan 0.000 0.444 60 A N 1.371 124.118 122.820 -0.122 0.000 1.902 60 A HA 0.087 4.407 4.320 0.000 0.000 0.217 60 A C 2.628 180.092 177.584 -0.201 0.000 1.181 60 A CA 1.906 53.887 52.037 -0.093 0.000 0.623 60 A CB -1.341 17.687 19.000 0.047 0.000 0.818 60 A HN 0.515 nan 8.150 nan 0.000 0.443 61 G N -0.852 107.854 108.800 -0.156 0.000 2.402 61 G HA2 -0.050 3.910 3.960 0.000 0.000 0.216 61 G HA3 -0.050 3.910 3.960 0.000 0.000 0.216 61 G C 1.486 176.236 174.900 -0.249 0.000 1.162 61 G CA 1.174 46.192 45.100 -0.137 0.000 0.777 61 G HN 0.317 nan 8.290 nan 0.000 0.539 62 V N 1.438 121.107 119.914 -0.409 0.000 2.379 62 V HA -0.058 4.062 4.120 0.000 0.000 0.245 62 V C 3.293 179.102 176.094 -0.475 0.000 1.044 62 V CA 1.834 63.868 62.300 -0.442 0.000 1.036 62 V CB -0.659 30.753 31.823 -0.685 0.000 0.664 62 V HN 0.458 nan 8.190 nan 0.000 0.453 63 A N 0.179 122.639 122.820 -0.599 0.000 1.902 63 A HA -0.137 4.183 4.320 0.000 0.000 0.217 63 A C 2.434 179.514 177.584 -0.839 0.000 1.181 63 A CA 2.140 53.709 52.037 -0.781 0.000 0.623 63 A CB -0.799 17.552 19.000 -1.082 0.000 0.818 63 A HN 0.558 nan 8.150 nan 0.000 0.443 64 A N 0.118 122.468 122.820 -0.784 0.000 1.902 64 A HA -0.208 4.112 4.320 0.000 0.000 0.217 64 A C 1.807 179.261 177.584 -0.217 0.000 1.181 64 A CA 2.185 53.987 52.037 -0.391 0.000 0.623 64 A CB -0.835 18.092 19.000 -0.122 0.000 0.818 64 A HN 0.650 nan 8.150 nan 0.000 0.443 65 D N -0.684 119.590 120.400 -0.210 0.000 2.104 65 D HA -0.143 4.497 4.640 0.000 0.000 0.194 65 D C 1.664 177.873 176.300 -0.152 0.000 0.994 65 D CA 1.852 55.772 54.000 -0.134 0.000 0.830 65 D CB -0.055 40.687 40.800 -0.097 0.000 0.959 65 D HN 0.152 nan 8.370 nan 0.000 0.452 66 V N 0.089 119.876 119.914 -0.211 0.000 2.407 66 V HA -0.107 4.013 4.120 0.000 0.000 0.245 66 V C 2.389 178.375 176.094 -0.179 0.000 1.041 66 V CA 1.098 63.272 62.300 -0.209 0.000 1.040 66 V CB -0.487 31.185 31.823 -0.251 0.000 0.671 66 V HN 0.297 nan 8.190 nan 0.000 0.455 67 L N 1.096 122.215 121.223 -0.172 0.000 2.043 67 L HA -0.165 4.175 4.340 0.000 0.000 0.212 67 L C 2.422 179.261 176.870 -0.052 0.000 1.075 67 L CA 2.491 57.282 54.840 -0.082 0.000 0.752 67 L CB -0.878 41.168 42.059 -0.021 0.000 0.891 67 L HN 0.254 nan 8.230 nan 0.000 0.432 68 A N -0.753 122.029 122.820 -0.063 0.000 1.930 68 A HA -0.209 4.111 4.320 0.000 0.000 0.217 68 A C 2.506 180.054 177.584 -0.060 0.000 1.175 68 A CA 1.525 53.539 52.037 -0.037 0.000 0.627 68 A CB -0.589 18.393 19.000 -0.029 0.000 0.815 68 A HN 0.513 nan 8.150 nan 0.000 0.443 69 R N -0.232 120.188 120.500 -0.132 0.000 2.075 69 R HA -0.048 4.292 4.340 0.000 0.000 0.232 69 R C 1.787 177.979 176.300 -0.179 0.000 1.126 69 R CA 1.829 57.791 56.100 -0.230 0.000 0.963 69 R CB -0.342 29.694 30.300 -0.441 0.000 0.858 69 R HN 0.522 nan 8.270 nan 0.000 0.435 70 I N 0.315 120.809 120.570 -0.126 0.000 2.333 70 I HA -0.176 3.994 4.170 0.000 0.000 0.246 70 I C 2.361 178.525 176.117 0.077 0.000 1.106 70 I CA 1.517 62.832 61.300 0.025 0.000 1.411 70 I CB -0.296 37.712 38.000 0.012 0.000 1.082 70 I HN 0.368 nan 8.210 nan 0.000 0.420 71 T N -1.603 112.973 114.554 0.037 0.000 2.951 71 T HA 0.046 4.396 4.350 0.000 0.000 0.268 71 T C 1.747 176.478 174.700 0.051 0.000 1.073 71 T CA 0.720 62.848 62.100 0.046 0.000 1.134 71 T CB -0.324 68.565 68.868 0.036 0.000 0.884 71 T HN 0.529 nan 8.240 nan 0.000 0.479 72 G N 1.708 110.537 108.800 0.048 0.000 2.168 72 G HA2 -0.271 3.689 3.960 0.000 0.000 0.257 72 G HA3 -0.271 3.689 3.960 0.000 0.000 0.257 72 G C 0.087 175.004 174.900 0.029 0.000 0.997 72 G CA 0.223 45.352 45.100 0.048 0.000 0.708 72 G HN 0.733 nan 8.290 nan 0.000 0.520 73 R N -0.052 120.463 120.500 0.025 0.000 2.711 73 R HA 0.493 4.833 4.340 0.000 0.000 0.284 73 R C -2.766 173.547 176.300 0.023 0.000 0.968 73 R CA -2.204 53.910 56.100 0.023 0.000 0.924 73 R CB 1.614 31.935 30.300 0.034 0.000 1.162 73 R HN 0.000 nan 8.270 nan 0.000 0.465 74 P HA -0.029 nan 4.420 nan 0.000 0.266 74 P C -0.765 176.572 177.300 0.062 0.000 1.195 74 P CA 0.187 63.305 63.100 0.030 0.000 0.768 74 P CB 0.683 32.392 31.700 0.014 0.000 0.838 75 Q N 0.899 120.741 119.800 0.071 0.000 2.633 75 Q HA 0.834 5.174 4.340 0.000 0.000 0.292 75 Q C -0.908 175.171 176.000 0.131 0.000 1.089 75 Q CA -0.965 54.903 55.803 0.108 0.000 0.811 75 Q CB 2.356 31.158 28.738 0.108 0.000 1.472 75 Q HN 0.430 nan 8.270 nan 0.000 0.464 76 A N 0.240 123.168 122.820 0.181 0.000 2.422 76 A HA 0.785 5.105 4.320 0.000 0.000 0.302 76 A C -0.460 177.271 177.584 0.245 0.000 1.041 76 A CA -0.530 51.627 52.037 0.200 0.000 0.708 76 A CB 0.742 19.864 19.000 0.204 0.000 1.257 76 A HN 0.833 nan 8.150 nan 0.000 0.414 77 C N -0.169 119.271 119.300 0.233 0.000 3.044 77 C HA 0.985 5.445 4.460 0.000 0.000 0.315 77 C C -1.019 174.171 174.990 0.333 0.000 1.320 77 C CA -0.956 58.210 59.018 0.248 0.000 1.582 77 C CB 1.455 29.287 27.740 0.153 0.000 2.039 77 C HN 1.101 nan 8.230 nan 0.000 0.466 78 W N 0.970 122.349 121.300 0.132 0.000 3.274 78 W HA 0.637 5.297 4.660 0.000 0.000 0.327 78 W C -1.170 175.460 176.519 0.186 0.000 1.172 78 W CA 0.009 57.475 57.345 0.202 0.000 1.217 78 W CB 2.077 31.724 29.460 0.311 0.000 1.376 78 W HN 1.330 nan 8.180 nan 0.000 0.507 79 A N 2.502 125.213 122.820 -0.182 0.000 2.594 79 A HA 0.611 4.931 4.320 0.000 0.000 0.291 79 A C -0.801 176.714 177.584 -0.114 0.000 1.105 79 A CA -0.417 51.630 52.037 0.016 0.000 0.694 79 A CB 1.815 20.824 19.000 0.015 0.000 1.291 79 A HN 0.459 nan 8.150 nan 0.000 0.410 80 T N 0.090 114.682 114.554 0.063 0.000 2.771 80 T HA 0.514 4.864 4.350 0.000 0.000 0.290 80 T C 0.653 175.347 174.700 -0.011 0.000 1.005 80 T CA 0.033 62.167 62.100 0.057 0.000 0.944 80 T CB -0.116 68.814 68.868 0.104 0.000 1.147 80 T HN 1.193 nan 8.240 nan 0.000 0.534 81 L N 0.163 121.381 121.223 -0.009 0.000 2.476 81 L HA 0.580 4.920 4.340 0.000 0.000 0.264 81 L C 1.290 178.138 176.870 -0.036 0.000 1.224 81 L CA -0.063 54.762 54.840 -0.026 0.000 0.821 81 L CB -0.853 41.186 42.059 -0.034 0.000 1.101 81 L HN 0.935 nan 8.230 nan 0.000 0.488 82 G N 1.582 110.358 108.800 -0.039 0.000 2.620 82 G HA2 -0.322 3.638 3.960 0.000 0.000 0.315 82 G HA3 -0.322 3.638 3.960 0.000 0.000 0.315 82 G C -1.037 173.838 174.900 -0.043 0.000 1.179 82 G CA 0.335 45.405 45.100 -0.051 0.000 0.971 82 G HN 0.791 nan 8.290 nan 0.000 0.544 83 P HA 0.105 nan 4.420 nan 0.000 0.221 83 P C 1.584 178.862 177.300 -0.037 0.000 1.150 83 P CA 1.874 64.954 63.100 -0.033 0.000 0.800 83 P CB -0.601 31.084 31.700 -0.025 0.000 0.787 87 N N 1.662 120.347 118.700 -0.025 0.000 2.188 87 N HA 0.179 4.919 4.740 0.000 0.000 0.184 87 N C 1.759 177.294 175.510 0.042 0.000 1.018 87 N CA 1.164 54.205 53.050 -0.016 0.000 0.858 87 N CB -0.384 37.978 38.487 -0.208 0.000 0.989 87 N HN 0.399 nan 8.380 nan 0.000 0.426 88 L N 1.033 122.263 121.223 0.013 0.000 2.141 88 L HA -0.119 4.221 4.340 0.000 0.000 0.209 88 L C 2.008 178.913 176.870 0.058 0.000 1.094 88 L CA 1.184 56.054 54.840 0.050 0.000 0.763 88 L CB -0.442 41.635 42.059 0.029 0.000 0.908 88 L HN 0.254 nan 8.230 nan 0.000 0.437 89 S N -2.109 113.593 115.700 0.003 0.000 2.442 89 S HA -0.171 4.299 4.470 0.000 0.000 0.236 89 S C 1.695 176.319 174.600 0.040 0.000 1.007 89 S CA 1.562 59.744 58.200 -0.029 0.000 0.965 89 S CB -0.568 62.581 63.200 -0.087 0.000 0.773 89 S HN 0.408 nan 8.310 nan 0.000 0.504 90 T N 1.483 116.104 114.554 0.111 0.000 2.904 90 T HA 0.119 4.469 4.350 0.000 0.000 0.267 90 T C 1.962 176.864 174.700 0.337 0.000 1.059 90 T CA 1.124 63.327 62.100 0.172 0.000 1.137 90 T CB -0.858 68.063 68.868 0.089 0.000 0.879 90 T HN 0.642 nan 8.240 nan 0.000 0.467 91 G N 1.372 110.381 108.800 0.349 0.000 2.408 91 G HA2 -0.106 3.854 3.960 0.000 0.000 0.217 91 G HA3 -0.106 3.854 3.960 0.000 0.000 0.217 91 G C 1.492 176.451 174.900 0.098 0.000 1.150 91 G CA 0.347 45.560 45.100 0.188 0.000 0.776 91 G HN 0.482 nan 8.290 nan 0.000 0.542 92 I N 1.307 121.919 120.570 0.071 0.000 2.315 92 I HA -0.143 4.027 4.170 0.000 0.000 0.248 92 I C 3.251 179.388 176.117 0.035 0.000 1.117 92 I CA 0.873 62.194 61.300 0.035 0.000 1.404 92 I CB -0.147 37.845 38.000 -0.013 0.000 1.071 92 I HN 0.241 nan 8.210 nan 0.000 0.419 93 A N 0.333 123.180 122.820 0.044 0.000 1.933 93 A HA -0.191 4.129 4.320 0.000 0.000 0.218 93 A C 2.377 179.992 177.584 0.052 0.000 1.175 93 A CA 2.317 54.375 52.037 0.036 0.000 0.628 93 A CB -1.036 17.983 19.000 0.031 0.000 0.814 93 A HN 0.356 nan 8.150 nan 0.000 0.444 94 T N -0.368 114.246 114.554 0.099 0.000 2.684 94 T HA -0.175 4.175 4.350 0.000 0.000 0.267 94 T C 2.298 177.029 174.700 0.051 0.000 1.036 94 T CA 1.997 64.159 62.100 0.103 0.000 1.148 94 T CB -0.373 68.603 68.868 0.180 0.000 0.863 94 T HN 0.603 nan 8.240 nan 0.000 0.436 95 S N 0.085 115.809 115.700 0.040 0.000 2.402 95 S HA -0.059 4.411 4.470 0.000 0.000 0.229 95 S C 2.136 176.744 174.600 0.014 0.000 1.021 95 S CA 1.060 59.271 58.200 0.018 0.000 0.974 95 S CB -0.444 62.766 63.200 0.017 0.000 0.800 95 S HN 0.276 nan 8.310 nan 0.000 0.484 96 V N 0.819 120.743 119.914 0.017 0.000 2.488 96 V HA 0.126 4.246 4.120 0.000 0.000 0.246 96 V C 2.144 178.239 176.094 0.002 0.000 1.046 96 V CA 1.542 63.849 62.300 0.012 0.000 1.053 96 V CB -0.251 31.579 31.823 0.012 0.000 0.679 96 V HN 0.557 nan 8.190 nan 0.000 0.458 97 L N -0.435 120.785 121.223 -0.004 0.000 2.209 97 L HA 0.016 4.356 4.340 0.000 0.000 0.207 97 L C 1.922 178.773 176.870 -0.031 0.000 1.094 97 L CA 1.176 56.005 54.840 -0.020 0.000 0.790 97 L CB -0.324 41.719 42.059 -0.026 0.000 0.932 97 L HN 0.302 nan 8.230 nan 0.000 0.447 98 D N -0.090 120.295 120.400 -0.025 0.000 2.348 98 D HA 0.014 4.654 4.640 0.000 0.000 0.211 98 D C -0.179 176.105 176.300 -0.027 0.000 0.998 98 D CA 0.156 54.135 54.000 -0.034 0.000 0.873 98 D CB 0.245 41.024 40.800 -0.034 0.000 0.925 98 D HN -0.021 nan 8.370 nan 0.000 0.524 99 R N 0.097 120.587 120.500 -0.016 0.000 2.448 99 R HA -0.129 4.211 4.340 0.000 0.000 0.336 99 R C -0.656 175.635 176.300 -0.016 0.000 1.038 99 R CA 0.126 56.220 56.100 -0.010 0.000 0.804 99 R CB -2.881 27.416 30.300 -0.005 0.000 2.350 99 R HN 0.180 nan 8.270 nan 0.000 0.484 100 S N 2.344 118.037 115.700 -0.013 0.000 2.566 100 S HA 0.621 5.091 4.470 0.000 0.000 0.273 100 S C -2.699 171.897 174.600 -0.006 0.000 1.157 100 S CA -1.276 56.910 58.200 -0.022 0.000 0.938 100 S CB 1.967 65.144 63.200 -0.038 0.000 1.087 100 S HN 0.242 nan 8.310 nan 0.000 0.474 101 P HA 0.304 nan 4.420 nan 0.000 0.256 101 P C -0.934 176.378 177.300 0.019 0.000 1.689 101 P CA -0.251 62.852 63.100 0.006 0.000 1.124 101 P CB 0.377 32.075 31.700 -0.003 0.000 1.766 102 V N 5.370 125.304 119.914 0.034 0.000 2.459 102 V HA 0.323 4.443 4.120 0.000 0.000 0.295 102 V C 0.394 176.540 176.094 0.087 0.000 1.029 102 V CA -0.786 61.547 62.300 0.054 0.000 0.874 102 V CB 2.131 33.978 31.823 0.041 0.000 0.985 102 V HN 0.272 nan 8.190 nan 0.000 0.438 103 I N 4.245 124.880 120.570 0.108 0.000 2.297 103 I HA 0.512 4.682 4.170 0.000 0.000 0.291 103 I C 0.601 176.811 176.117 0.156 0.000 1.033 103 I CA -0.468 60.912 61.300 0.133 0.000 1.253 103 I CB 0.830 38.911 38.000 0.136 0.000 1.396 103 I HN 0.680 nan 8.210 nan 0.000 0.476 104 A N 8.211 131.139 122.820 0.180 0.000 2.274 104 A HA 0.813 5.133 4.320 0.000 0.000 0.309 104 A C -0.441 177.231 177.584 0.147 0.000 1.226 104 A CA -0.452 51.711 52.037 0.211 0.000 0.853 104 A CB 0.602 19.769 19.000 0.278 0.000 1.146 104 A HN 0.672 nan 8.150 nan 0.000 0.518 105 L N 2.046 123.288 121.223 0.032 0.000 2.362 105 L HA 0.772 5.112 4.340 0.000 0.000 0.275 105 L C 0.148 176.720 176.870 -0.496 0.000 0.998 105 L CA -0.353 54.328 54.840 -0.264 0.000 0.820 105 L CB 2.088 44.056 42.059 -0.152 0.000 1.270 105 L HN 0.789 nan 8.230 nan 0.000 0.415 106 A N 2.210 124.713 122.820 -0.529 0.000 2.422 106 A HA 0.894 5.214 4.320 0.000 0.000 0.302 106 A C -0.394 176.942 177.584 -0.413 0.000 1.041 106 A CA -0.435 51.345 52.037 -0.429 0.000 0.708 106 A CB 1.610 20.649 19.000 0.065 0.000 1.257 106 A HN 0.759 nan 8.150 nan 0.000 0.414 107 A N 0.847 123.457 122.820 -0.350 0.000 2.346 107 A HA 0.620 4.940 4.320 0.000 0.000 0.252 107 A C 0.135 177.666 177.584 -0.088 0.000 1.089 107 A CA 0.178 52.122 52.037 -0.155 0.000 0.797 107 A CB 0.510 19.508 19.000 -0.002 0.000 1.047 107 A HN 1.168 nan 8.150 nan 0.000 0.494 108 Q N -0.316 119.446 119.800 -0.064 0.000 2.456 108 Q HA 0.513 4.853 4.340 0.000 0.000 0.284 108 Q C -0.531 175.436 176.000 -0.055 0.000 1.061 108 Q CA -0.316 55.453 55.803 -0.055 0.000 0.799 108 Q CB 1.672 30.369 28.738 -0.068 0.000 1.445 108 Q HN 0.755 nan 8.270 nan 0.000 0.411 109 S N 1.707 117.370 115.700 -0.063 0.000 2.550 109 S HA 0.027 4.497 4.470 0.000 0.000 0.285 109 S C -0.505 174.019 174.600 -0.126 0.000 1.326 109 S CA -0.054 58.100 58.200 -0.077 0.000 1.037 109 S CB 0.017 63.169 63.200 -0.079 0.000 0.838 109 S HN 0.566 nan 8.310 nan 0.000 0.519 110 E N 1.690 121.797 120.200 -0.156 0.000 2.653 110 E HA -0.040 4.311 4.350 0.000 0.000 0.264 110 E C 1.373 177.741 176.600 -0.387 0.000 0.949 110 E CA 0.568 56.814 56.400 -0.257 0.000 0.953 110 E CB 0.295 29.784 29.700 -0.353 0.000 0.925 110 E HN 0.647 nan 8.360 nan 0.000 0.475 111 S N 3.172 118.713 115.700 -0.265 0.000 2.365 111 S HA -0.322 4.148 4.470 0.000 0.000 0.225 111 S C 1.709 176.166 174.600 -0.238 0.000 1.039 111 S CA 1.848 59.930 58.200 -0.197 0.000 1.033 111 S CB -0.695 62.460 63.200 -0.075 0.000 0.887 111 S HN 0.802 nan 8.310 nan 0.000 0.447 112 H N -0.073 118.946 119.070 -0.085 0.000 2.545 112 H HA 0.304 4.860 4.556 0.000 0.000 0.282 112 H C 0.941 176.182 175.328 -0.145 0.000 1.020 112 H CA 1.192 57.188 56.048 -0.086 0.000 1.243 112 H CB -0.473 29.278 29.762 -0.018 0.000 1.377 112 H HN 0.453 nan 8.280 nan 0.000 0.581 113 D N 0.163 120.266 120.400 -0.496 0.000 2.571 113 D HA 0.165 4.805 4.640 0.000 0.000 0.239 113 D C -0.459 175.574 176.300 -0.444 0.000 1.267 113 D CA -0.327 53.487 54.000 -0.310 0.000 0.823 113 D CB -0.129 40.559 40.800 -0.187 0.000 1.056 113 D HN 0.394 nan 8.370 nan 0.000 0.494 114 I N 1.533 121.722 120.570 -0.635 0.000 2.294 114 I HA 0.164 4.334 4.170 0.000 0.000 0.295 114 I C -0.609 175.104 176.117 -0.673 0.000 1.098 114 I CA -0.098 60.921 61.300 -0.468 0.000 1.277 114 I CB 0.034 37.848 38.000 -0.309 0.000 1.434 114 I HN -0.109 nan 8.210 nan 0.000 0.498 115 F N 7.264 127.207 119.950 -0.012 0.000 2.676 115 F HA 0.394 4.921 4.527 0.000 0.000 0.371 115 F C -2.295 173.503 175.800 -0.003 0.000 1.141 115 F CA -2.825 55.174 58.000 -0.002 0.000 1.133 115 F CB 0.841 39.845 39.000 0.007 0.000 1.376 115 F HN 0.238 nan 8.300 nan 0.000 0.491 116 P HA 0.065 nan 4.420 nan 0.000 0.264 116 P C 0.073 177.419 177.300 0.075 0.000 1.193 116 P CA 0.641 63.781 63.100 0.066 0.000 0.763 116 P CB 0.396 32.118 31.700 0.036 0.000 0.810 117 N N 1.138 119.870 118.700 0.053 0.000 2.828 117 N HA -0.167 4.573 4.740 0.000 0.000 0.248 117 N C 0.121 175.665 175.510 0.056 0.000 1.044 117 N CA 1.236 54.313 53.050 0.044 0.000 0.851 117 N CB -1.423 37.083 38.487 0.031 0.000 1.136 117 N HN 0.526 nan 8.380 nan 0.000 0.572 118 D N -1.015 119.438 120.400 0.088 0.000 2.760 118 D HA 0.064 4.704 4.640 0.000 0.000 0.285 118 D C 0.144 176.512 176.300 0.113 0.000 1.178 118 D CA 0.598 54.647 54.000 0.082 0.000 1.031 118 D CB -0.098 40.738 40.800 0.060 0.000 1.544 118 D HN 0.020 nan 8.370 nan 0.000 0.468 119 T N 1.417 116.076 114.554 0.175 0.000 2.928 119 T HA -0.017 4.333 4.350 0.000 0.000 0.305 119 T C 0.234 175.020 174.700 0.144 0.000 1.035 119 T CA 0.133 62.339 62.100 0.178 0.000 1.145 119 T CB 0.344 69.326 68.868 0.189 0.000 0.963 119 T HN 0.093 nan 8.240 nan 0.000 0.545 120 H N 3.230 122.333 119.070 0.054 0.000 3.195 120 H HA -0.078 4.479 4.556 0.000 0.000 0.302 120 H C 1.103 176.450 175.328 0.031 0.000 0.950 120 H CA 1.140 57.210 56.048 0.038 0.000 1.398 120 H CB -0.134 29.649 29.762 0.035 0.000 1.377 120 H HN 0.780 nan 8.280 nan 0.000 0.572 121 Q N 1.073 120.656 119.800 -0.361 0.000 2.468 121 Q HA -0.276 4.064 4.340 0.000 0.000 0.256 121 Q C -0.380 175.546 176.000 -0.124 0.000 0.984 121 Q CA 1.005 56.630 55.803 -0.296 0.000 1.110 121 Q CB -1.950 26.537 28.738 -0.418 0.000 1.527 121 Q HN 0.563 nan 8.270 nan 0.000 0.535 122 C N 1.270 120.536 119.300 -0.056 0.000 2.239 122 C HA 0.675 5.135 4.460 0.000 0.000 0.325 122 C C 0.119 175.103 174.990 -0.011 0.000 1.231 122 C CA -0.481 58.523 59.018 -0.023 0.000 1.652 122 C CB -0.305 27.441 27.740 0.010 0.000 2.284 122 C HN 0.369 nan 8.230 nan 0.000 0.499 123 L N 4.289 125.501 121.223 -0.018 0.000 2.323 123 L HA 0.451 4.791 4.340 0.000 0.000 0.265 123 L C -0.124 176.740 176.870 -0.009 0.000 1.012 123 L CA -0.521 54.311 54.840 -0.013 0.000 0.820 123 L CB 1.464 43.508 42.059 -0.024 0.000 1.334 123 L HN 0.482 nan 8.230 nan 0.000 0.427 124 D N 0.371 120.765 120.400 -0.009 0.000 2.551 124 D HA 0.085 4.725 4.640 0.000 0.000 0.223 124 D C 0.880 177.175 176.300 -0.007 0.000 1.144 124 D CA 0.178 54.175 54.000 -0.006 0.000 1.025 124 D CB 0.682 41.478 40.800 -0.007 0.000 1.085 124 D HN 0.432 nan 8.370 nan 0.000 0.506 125 S N 0.903 116.616 115.700 0.021 0.000 2.370 125 S HA -0.136 4.334 4.470 0.000 0.000 0.226 125 S C 2.143 176.758 174.600 0.024 0.000 1.033 125 S CA 0.666 58.886 58.200 0.032 0.000 1.011 125 S CB 0.076 63.401 63.200 0.208 0.000 0.852 125 S HN 0.428 nan 8.310 nan 0.000 0.457 126 V N 1.920 121.905 119.914 0.118 0.000 2.358 126 V HA -0.158 3.962 4.120 0.000 0.000 0.246 126 V C 2.639 178.732 176.094 -0.003 0.000 1.047 126 V CA 1.611 63.977 62.300 0.109 0.000 1.035 126 V CB -1.177 30.689 31.823 0.072 0.000 0.658 126 V HN 0.548 nan 8.190 nan 0.000 0.452 127 A N -0.280 122.530 122.820 -0.017 0.000 1.969 127 A HA -0.128 4.192 4.320 0.000 0.000 0.218 127 A C 2.155 179.705 177.584 -0.056 0.000 1.169 127 A CA 1.673 53.691 52.037 -0.032 0.000 0.635 127 A CB -0.473 18.514 19.000 -0.022 0.000 0.810 127 A HN 0.518 nan 8.150 nan 0.000 0.445 128 I N -0.790 119.732 120.570 -0.080 0.000 2.353 128 I HA -0.143 4.027 4.170 0.000 0.000 0.248 128 I C 2.033 178.058 176.117 -0.152 0.000 1.119 128 I CA 0.877 62.112 61.300 -0.108 0.000 1.417 128 I CB 0.027 37.957 38.000 -0.117 0.000 1.078 128 I HN 0.138 nan 8.210 nan 0.000 0.421 129 V N 0.440 120.215 119.914 -0.231 0.000 2.878 129 V HA 0.018 4.138 4.120 0.000 0.000 0.250 129 V C 2.552 178.558 176.094 -0.146 0.000 1.075 129 V CA 1.144 63.268 62.300 -0.293 0.000 1.096 129 V CB -0.423 30.977 31.823 -0.706 0.000 0.724 129 V HN 0.395 nan 8.190 nan 0.000 0.467 130 A N 0.737 123.504 122.820 -0.088 0.000 1.917 130 A HA -0.070 4.250 4.320 0.000 0.000 0.219 130 A C -0.392 177.174 177.584 -0.030 0.000 1.182 130 A CA 1.357 53.370 52.037 -0.040 0.000 0.633 130 A CB -1.607 17.374 19.000 -0.032 0.000 0.819 130 A HN 0.537 nan 8.150 nan 0.000 0.448 134 K N -0.154 120.307 120.400 0.103 0.000 2.365 134 K HA 0.235 4.555 4.320 0.000 0.000 0.197 134 K C -0.319 176.406 176.600 0.207 0.000 1.042 134 K CA 0.943 57.302 56.287 0.119 0.000 0.987 134 K CB -0.433 32.127 32.500 0.100 0.000 0.779 134 K HN 0.723 nan 8.250 nan 0.000 0.484 135 Y N -0.881 119.449 120.300 0.050 0.000 2.393 135 Y HA 0.392 4.942 4.550 0.000 0.000 0.320 135 Y C -2.165 173.793 175.900 0.097 0.000 1.241 135 Y CA -1.121 57.013 58.100 0.056 0.000 1.122 135 Y CB 1.025 39.510 38.460 0.043 0.000 1.322 135 Y HN -0.063 nan 8.280 nan 0.000 0.441 136 A N 5.087 127.683 122.820 -0.373 0.000 2.437 136 A HA 0.825 5.145 4.320 0.000 0.000 0.293 136 A C -2.162 175.208 177.584 -0.358 0.000 1.038 136 A CA -0.394 51.535 52.037 -0.180 0.000 0.708 136 A CB 1.566 20.594 19.000 0.047 0.000 1.251 136 A HN 1.287 nan 8.150 nan 0.000 0.409 137 V N 1.391 121.120 119.914 -0.308 0.000 3.178 137 V HA 0.658 4.778 4.120 0.000 0.000 0.302 137 V C -1.174 174.800 176.094 -0.199 0.000 1.262 137 V CA -0.488 61.645 62.300 -0.279 0.000 1.030 137 V CB 2.191 33.796 31.823 -0.364 0.000 1.074 137 V HN 1.043 nan 8.190 nan 0.000 0.438 138 E N 2.780 122.896 120.200 -0.140 0.000 2.171 138 E HA 0.529 4.879 4.350 0.000 0.000 0.271 138 E C -1.089 175.446 176.600 -0.109 0.000 0.916 138 E CA -0.812 55.510 56.400 -0.131 0.000 0.774 138 E CB 1.827 31.473 29.700 -0.090 0.000 1.128 138 E HN 0.665 nan 8.360 nan 0.000 0.403 139 L N 3.841 124.996 121.223 -0.113 0.000 2.453 139 L HA 0.067 4.407 4.340 0.000 0.000 0.272 139 L C 0.262 177.092 176.870 -0.067 0.000 1.182 139 L CA 1.140 55.930 54.840 -0.083 0.000 0.858 139 L CB 0.682 42.695 42.059 -0.077 0.000 1.120 139 L HN 0.790 nan 8.230 nan 0.000 0.474 140 Q N 3.237 123.004 119.800 -0.056 0.000 2.313 140 Q HA 0.324 4.664 4.340 0.000 0.000 0.263 140 Q C -0.273 175.714 176.000 -0.022 0.000 0.820 140 Q CA -0.002 55.778 55.803 -0.039 0.000 0.974 140 Q CB 0.951 29.668 28.738 -0.034 0.000 1.156 140 Q HN 0.584 nan 8.270 nan 0.000 0.517 141 R N 0.472 120.951 120.500 -0.034 0.000 2.483 141 R HA 0.244 4.584 4.340 0.000 0.000 0.303 141 R C -2.247 174.032 176.300 -0.035 0.000 0.987 141 R CA -1.813 54.285 56.100 -0.003 0.000 0.881 141 R CB 1.570 31.887 30.300 0.028 0.000 1.177 141 R HN -0.125 nan 8.270 nan 0.000 0.451 142 P HA -0.286 nan 4.420 nan 0.000 0.216 142 P C 1.010 178.307 177.300 -0.005 0.000 1.157 142 P CA 1.467 64.576 63.100 0.015 0.000 0.880 142 P CB -0.010 31.718 31.700 0.048 0.000 0.791 143 H N -0.117 118.953 119.070 0.000 0.000 2.518 143 H HA -0.013 4.543 4.556 0.000 0.000 0.289 143 H C 1.139 176.471 175.328 0.006 0.000 1.051 143 H CA 1.128 57.175 56.048 -0.001 0.000 1.280 143 H CB -0.731 29.028 29.762 -0.005 0.000 1.380 143 H HN 0.244 nan 8.280 nan 0.000 0.566 144 E N 0.223 120.010 120.200 -0.689 0.000 2.478 144 E HA -0.036 4.314 4.350 0.000 0.000 0.198 144 E C 1.796 178.295 176.600 -0.169 0.000 1.046 144 E CA 0.172 56.296 56.400 -0.460 0.000 0.870 144 E CB -0.005 29.458 29.700 -0.396 0.000 0.818 144 E HN 0.302 nan 8.360 nan 0.000 0.527 145 I N 1.107 121.613 120.570 -0.108 0.000 2.423 145 I HA -0.249 3.921 4.170 0.000 0.000 0.254 145 I C 1.898 178.007 176.117 -0.013 0.000 1.151 145 I CA 1.533 62.811 61.300 -0.037 0.000 1.421 145 I CB -0.272 37.723 38.000 -0.009 0.000 1.079 145 I HN -0.023 nan 8.210 nan 0.000 0.431 146 T N 0.669 115.211 114.554 -0.020 0.000 2.674 146 T HA -0.189 4.161 4.350 0.000 0.000 0.265 146 T C 1.409 176.110 174.700 0.003 0.000 1.039 146 T CA 1.825 63.922 62.100 -0.005 0.000 1.150 146 T CB -0.510 68.361 68.868 0.005 0.000 0.864 146 T HN 0.688 nan 8.240 nan 0.000 0.427 147 D N 1.023 121.419 120.400 -0.006 0.000 2.224 147 D HA -0.023 4.617 4.640 0.000 0.000 0.205 147 D C 1.958 178.269 176.300 0.019 0.000 0.965 147 D CA 0.617 54.622 54.000 0.008 0.000 0.852 147 D CB -0.602 40.200 40.800 0.004 0.000 0.947 147 D HN 0.330 nan 8.370 nan 0.000 0.494 148 L N 0.219 121.459 121.223 0.029 0.000 2.109 148 L HA -0.061 4.279 4.340 0.000 0.000 0.207 148 L C 2.443 179.352 176.870 0.066 0.000 1.086 148 L CA 0.455 55.347 54.840 0.087 0.000 0.760 148 L CB -0.275 41.835 42.059 0.085 0.000 0.910 148 L HN 0.067 nan 8.230 nan 0.000 0.437 149 V N -0.047 119.901 119.914 0.056 0.000 2.343 149 V HA -0.279 3.841 4.120 0.000 0.000 0.247 149 V C 2.098 178.255 176.094 0.105 0.000 1.051 149 V CA 1.858 64.208 62.300 0.083 0.000 1.036 149 V CB -0.475 31.395 31.823 0.078 0.000 0.654 149 V HN 0.416 nan 8.190 nan 0.000 0.451 150 D N -0.004 120.461 120.400 0.107 0.000 2.117 150 D HA -0.116 4.524 4.640 0.000 0.000 0.197 150 D C 2.447 178.706 176.300 -0.068 0.000 0.987 150 D CA 1.682 55.757 54.000 0.125 0.000 0.829 150 D CB -0.282 40.576 40.800 0.097 0.000 0.961 150 D HN 0.360 nan 8.370 nan 0.000 0.460 151 S N 0.283 115.884 115.700 -0.165 0.000 2.402 151 S HA -0.073 4.397 4.470 0.000 0.000 0.229 151 S C 2.053 176.207 174.600 -0.744 0.000 1.021 151 S CA 0.898 58.858 58.200 -0.400 0.000 0.974 151 S CB -0.118 62.855 63.200 -0.379 0.000 0.800 151 S HN 0.354 nan 8.310 nan 0.000 0.484 152 A N 1.193 123.640 122.820 -0.621 0.000 1.877 152 A HA -0.044 4.276 4.320 0.000 0.000 0.216 152 A C 2.328 179.792 177.584 -0.199 0.000 1.186 152 A CA 1.473 53.262 52.037 -0.414 0.000 0.620 152 A CB -0.931 18.062 19.000 -0.011 0.000 0.822 152 A HN 0.335 nan 8.150 nan 0.000 0.443 153 V N 0.977 120.807 119.914 -0.141 0.000 2.343 153 V HA -0.269 3.851 4.120 0.000 0.000 0.247 153 V C 2.345 178.337 176.094 -0.169 0.000 1.051 153 V CA 2.174 64.380 62.300 -0.157 0.000 1.036 153 V CB -1.025 30.608 31.823 -0.316 0.000 0.654 153 V HN 0.546 nan 8.190 nan 0.000 0.451 154 N N 0.628 119.217 118.700 -0.184 0.000 2.094 154 N HA -0.161 4.579 4.740 0.000 0.000 0.191 154 N C 1.791 177.231 175.510 -0.118 0.000 1.023 154 N CA 1.875 54.838 53.050 -0.145 0.000 0.857 154 N CB -0.496 37.907 38.487 -0.140 0.000 1.013 154 N HN 0.517 nan 8.380 nan 0.000 0.426 155 A N 0.419 123.149 122.820 -0.150 0.000 1.970 155 A HA 0.368 4.688 4.320 0.000 0.000 0.216 155 A C 1.361 178.930 177.584 -0.026 0.000 1.170 155 A CA 0.816 52.810 52.037 -0.072 0.000 0.645 155 A CB -0.522 18.445 19.000 -0.055 0.000 0.816 155 A HN 0.350 nan 8.150 nan 0.000 0.447 159 E N 3.400 123.593 120.200 -0.011 0.000 2.392 159 E HA 0.218 4.568 4.350 0.000 0.000 0.264 159 E C -2.142 174.457 176.600 -0.003 0.000 1.024 159 E CA -1.571 54.824 56.400 -0.008 0.000 0.903 159 E CB 0.466 30.156 29.700 -0.016 0.000 0.963 159 E HN 0.288 nan 8.360 nan 0.000 0.432 160 P HA 0.013 nan 4.420 nan 0.000 0.276 160 P C 0.067 177.370 177.300 0.005 0.000 1.243 160 P CA -0.270 62.832 63.100 0.003 0.000 0.768 160 P CB 0.510 32.214 31.700 0.006 0.000 0.856 161 V N 1.555 121.471 119.914 0.003 0.000 2.999 161 V HA 0.734 4.854 4.120 0.000 0.000 0.307 161 V C 0.639 176.739 176.094 0.009 0.000 1.084 161 V CA 0.414 62.716 62.300 0.004 0.000 1.155 161 V CB 0.068 31.892 31.823 0.002 0.000 0.975 161 V HN 0.898 nan 8.190 nan 0.000 0.490 162 G N 2.809 111.618 108.800 0.015 0.000 2.489 162 G HA2 0.621 4.582 3.960 0.000 0.000 0.305 162 G HA3 0.621 4.582 3.960 0.000 0.000 0.305 162 G C -3.492 171.431 174.900 0.038 0.000 1.311 162 G CA -0.560 44.554 45.100 0.023 0.000 0.813 162 G HN 0.734 nan 8.290 nan 0.000 0.480 163 P HA 0.523 nan 4.420 nan 0.000 0.286 163 P C -0.733 176.642 177.300 0.124 0.000 1.261 163 P CA -0.272 62.877 63.100 0.081 0.000 0.821 163 P CB 1.939 33.684 31.700 0.075 0.000 1.013 164 S N 1.454 117.253 115.700 0.166 0.000 2.503 164 S HA 0.627 5.097 4.470 0.000 0.000 0.301 164 S C -1.043 173.744 174.600 0.312 0.000 1.087 164 S CA -0.310 58.050 58.200 0.266 0.000 1.042 164 S CB 0.645 63.997 63.200 0.252 0.000 1.043 164 S HN 0.427 nan 8.310 nan 0.000 0.489 165 F N 3.018 123.046 119.950 0.132 0.000 2.507 165 F HA 0.701 5.228 4.527 0.000 0.000 0.325 165 F C -1.294 174.520 175.800 0.024 0.000 1.116 165 F CA -1.078 56.948 58.000 0.043 0.000 0.930 165 F CB 0.656 39.646 39.000 -0.016 0.000 1.146 165 F HN 0.432 nan 8.300 nan 0.000 0.447 166 I N 4.816 124.950 120.570 -0.726 0.000 2.447 166 I HA 0.265 4.435 4.170 0.000 0.000 0.287 166 I C -0.487 174.987 176.117 -1.072 0.000 1.023 166 I CA -0.765 60.130 61.300 -0.676 0.000 1.083 166 I CB 1.908 39.756 38.000 -0.253 0.000 1.245 166 I HN 0.545 nan 8.210 nan 0.000 0.434 167 S N 7.224 122.378 115.700 -0.911 0.000 2.525 167 S HA 0.676 5.146 4.470 0.000 0.000 0.278 167 S C -0.633 173.782 174.600 -0.309 0.000 1.234 167 S CA -0.432 57.422 58.200 -0.576 0.000 1.058 167 S CB 0.495 63.534 63.200 -0.268 0.000 0.983 167 S HN 0.504 nan 8.310 nan 0.000 0.495 168 L N 6.183 127.261 121.223 -0.241 0.000 2.417 168 L HA 0.396 4.736 4.340 0.000 0.000 0.259 168 L C -2.501 174.317 176.870 -0.086 0.000 1.023 168 L CA -2.039 52.714 54.840 -0.146 0.000 0.901 168 L CB 1.734 43.712 42.059 -0.135 0.000 1.227 168 L HN 0.461 nan 8.230 nan 0.000 0.454 169 P HA -0.062 nan 4.420 nan 0.000 0.264 169 P C 1.209 178.493 177.300 -0.027 0.000 1.193 169 P CA -0.042 63.020 63.100 -0.062 0.000 0.763 169 P CB 0.937 32.592 31.700 -0.076 0.000 0.810 170 V N 1.521 121.426 119.914 -0.014 0.000 2.490 170 V HA -0.234 3.886 4.120 0.000 0.000 0.250 170 V C 1.617 177.723 176.094 0.021 0.000 1.061 170 V CA 2.159 64.471 62.300 0.020 0.000 1.064 170 V CB -1.282 30.561 31.823 0.034 0.000 0.670 170 V HN 0.476 nan 8.190 nan 0.000 0.461 171 D N 1.248 121.656 120.400 0.013 0.000 2.097 171 D HA -0.220 4.420 4.640 0.000 0.000 0.195 171 D C 2.096 178.411 176.300 0.026 0.000 0.989 171 D CA 1.949 55.969 54.000 0.033 0.000 0.827 171 D CB -0.652 40.187 40.800 0.064 0.000 0.966 171 D HN 0.520 nan 8.370 nan 0.000 0.456 172 L N -0.469 120.762 121.223 0.013 0.000 2.093 172 L HA -0.072 4.268 4.340 0.000 0.000 0.208 172 L C 2.664 179.542 176.870 0.014 0.000 1.085 172 L CA 0.327 55.173 54.840 0.011 0.000 0.755 172 L CB -0.458 41.598 42.059 -0.005 0.000 0.904 172 L HN 0.044 nan 8.230 nan 0.000 0.435 173 L N 0.640 121.874 121.223 0.018 0.000 2.042 173 L HA -0.108 4.232 4.340 0.000 0.000 0.210 173 L C 2.073 178.954 176.870 0.018 0.000 1.076 173 L CA 2.071 56.930 54.840 0.032 0.000 0.749 173 L CB -0.938 41.160 42.059 0.066 0.000 0.893 173 L HN 0.144 nan 8.230 nan 0.000 0.432 174 G N -1.680 107.129 108.800 0.014 0.000 3.141 174 G HA2 0.060 4.020 3.960 0.000 0.000 0.218 174 G HA3 0.060 4.020 3.960 0.000 0.000 0.218 174 G C 0.480 175.385 174.900 0.009 0.000 1.170 174 G CA 0.526 45.629 45.100 0.004 0.000 0.769 174 G HN 0.413 nan 8.290 nan 0.000 0.546 175 S N -0.096 115.613 115.700 0.015 0.000 2.578 175 S HA 0.432 4.902 4.470 0.000 0.000 0.283 175 S C 1.342 175.951 174.600 0.015 0.000 1.195 175 S CA 0.257 58.467 58.200 0.016 0.000 1.050 175 S CB 1.595 64.809 63.200 0.023 0.000 1.012 175 S HN 0.285 nan 8.310 nan 0.000 0.511 176 S N 1.253 116.958 115.700 0.009 0.000 2.557 176 S HA 0.299 4.769 4.470 0.000 0.000 0.223 176 S C 0.573 175.179 174.600 0.009 0.000 0.969 176 S CA 0.280 58.483 58.200 0.004 0.000 0.927 176 S CB -0.652 62.543 63.200 -0.009 0.000 0.806 176 S HN 1.054 nan 8.310 nan 0.000 0.489 177 E N 1.198 121.409 120.200 0.018 0.000 2.498 177 E HA 0.421 4.771 4.350 0.000 0.000 0.252 177 E C 1.196 177.816 176.600 0.034 0.000 1.025 177 E CA 0.098 56.510 56.400 0.020 0.000 0.938 177 E CB -1.405 28.310 29.700 0.026 0.000 0.947 177 E HN 1.463 nan 8.360 nan 0.000 0.478 178 G N 2.008 110.808 108.800 0.001 0.000 2.176 178 G HA2 -0.234 3.726 3.960 0.000 0.000 0.253 178 G HA3 -0.234 3.726 3.960 0.000 0.000 0.253 178 G C 0.405 175.292 174.900 -0.021 0.000 0.979 178 G CA 0.151 45.227 45.100 -0.039 0.000 0.641 178 G HN 0.850 nan 8.290 nan 0.000 0.530 179 I N 2.068 122.644 120.570 0.009 0.000 2.297 179 I HA 0.538 4.709 4.170 0.000 0.000 0.291 179 I C 0.629 176.728 176.117 -0.031 0.000 1.033 179 I CA 0.337 61.642 61.300 0.008 0.000 1.253 179 I CB 0.742 38.746 38.000 0.007 0.000 1.396 179 I HN 0.289 nan 8.210 nan 0.000 0.476 180 D N 4.007 124.385 120.400 -0.037 0.000 2.272 180 D HA 0.886 5.526 4.640 0.000 0.000 0.247 180 D C 0.003 176.273 176.300 -0.051 0.000 0.990 180 D CA 0.199 54.172 54.000 -0.045 0.000 0.931 180 D CB 1.982 42.755 40.800 -0.045 0.000 1.195 180 D HN 0.733 nan 8.370 nan 0.000 0.477 186 P HA 0.570 nan 4.420 nan 0.000 0.274 186 P C -2.636 174.675 177.300 0.017 0.000 1.231 186 P CA -0.826 62.284 63.100 0.016 0.000 0.790 186 P CB -0.048 31.665 31.700 0.021 0.000 0.951 187 P HA 0.047 nan 4.420 nan 0.000 0.267 187 P C 0.381 177.712 177.300 0.053 0.000 1.200 187 P CA -0.119 63.000 63.100 0.032 0.000 0.772 187 P CB 0.536 32.255 31.700 0.032 0.000 0.855 188 A N 2.821 125.686 122.820 0.075 0.000 1.898 188 A HA -0.101 4.219 4.320 0.000 0.000 0.214 188 A C 0.837 178.538 177.584 0.196 0.000 1.183 188 A CA 0.984 53.129 52.037 0.180 0.000 0.622 188 A CB -0.881 18.241 19.000 0.204 0.000 0.824 188 A HN 0.635 nan 8.150 nan 0.000 0.444 189 N N -0.428 118.340 118.700 0.114 0.000 2.776 189 N HA -0.115 4.625 4.740 0.000 0.000 0.249 189 N C -0.446 175.075 175.510 0.018 0.000 1.111 189 N CA 1.248 54.333 53.050 0.057 0.000 0.711 189 N CB -2.446 36.064 38.487 0.039 0.000 1.065 189 N HN 0.494 nan 8.380 nan 0.000 0.556 190 T N 2.011 116.578 114.554 0.021 0.000 2.800 190 T HA 0.146 4.496 4.350 0.000 0.000 0.283 190 T C -1.755 172.915 174.700 -0.049 0.000 0.999 190 T CA -0.404 61.647 62.100 -0.081 0.000 1.176 190 T CB 0.339 69.189 68.868 -0.030 0.000 0.973 190 T HN 0.090 nan 8.240 nan 0.000 0.519 191 P HA 0.289 nan 4.420 nan 0.000 0.268 191 P C 0.504 177.791 177.300 -0.022 0.000 1.204 191 P CA -0.389 62.689 63.100 -0.037 0.000 0.768 191 P CB 0.564 32.238 31.700 -0.044 0.000 0.842 192 A N 3.805 126.621 122.820 -0.007 0.000 1.929 192 A HA -0.045 4.275 4.320 0.000 0.000 0.216 192 A C 0.864 178.451 177.584 0.005 0.000 1.176 192 A CA 1.284 53.323 52.037 0.004 0.000 0.628 192 A CB -0.483 18.523 19.000 0.009 0.000 0.816 192 A HN 0.680 nan 8.150 nan 0.000 0.444 193 K N -1.160 119.241 120.400 0.001 0.000 2.433 193 K HA 0.634 4.954 4.320 0.000 0.000 0.252 193 K C -3.312 173.284 176.600 -0.006 0.000 1.015 193 K CA -2.266 54.023 56.287 0.003 0.000 0.860 193 K CB 0.672 33.177 32.500 0.008 0.000 1.359 193 K HN -0.216 nan 8.250 nan 0.000 0.452 194 P HA -0.005 nan 4.420 nan 0.000 0.265 194 P C -0.686 176.603 177.300 -0.019 0.000 1.193 194 P CA -0.454 62.638 63.100 -0.013 0.000 0.765 194 P CB 0.516 32.212 31.700 -0.006 0.000 0.823 195 V N 3.234 123.134 119.914 -0.023 0.000 2.585 195 V HA 0.363 4.483 4.120 0.000 0.000 0.296 195 V C 1.148 177.226 176.094 -0.027 0.000 1.035 195 V CA 0.703 62.988 62.300 -0.024 0.000 1.084 195 V CB 0.345 32.154 31.823 -0.024 0.000 0.953 195 V HN 0.797 nan 8.190 nan 0.000 0.483 196 G N 3.381 112.160 108.800 -0.034 0.000 2.473 196 G HA2 0.606 4.566 3.960 0.000 0.000 0.321 196 G HA3 0.606 4.566 3.960 0.000 0.000 0.321 196 G C -0.913 173.959 174.900 -0.046 0.000 1.200 196 G CA -0.669 44.403 45.100 -0.046 0.000 0.963 196 G HN 0.563 nan 8.290 nan 0.000 0.483 197 V N 0.174 120.058 119.914 -0.049 0.000 2.583 197 V HA 0.438 4.558 4.120 0.000 0.000 0.287 197 V C -0.065 175.984 176.094 -0.074 0.000 1.051 197 V CA -0.313 61.961 62.300 -0.043 0.000 1.010 197 V CB 1.238 33.042 31.823 -0.031 0.000 0.988 197 V HN 0.450 nan 8.190 nan 0.000 0.478 198 V N 3.643 123.528 119.914 -0.049 0.000 2.524 198 V HA 0.643 4.763 4.120 0.000 0.000 0.297 198 V C 0.174 176.292 176.094 0.040 0.000 1.035 198 V CA -0.647 61.617 62.300 -0.060 0.000 0.867 198 V CB 1.734 33.524 31.823 -0.054 0.000 1.004 198 V HN 1.017 nan 8.190 nan 0.000 0.426 199 A N 2.988 125.852 122.820 0.073 0.000 2.328 199 A HA 0.538 4.858 4.320 0.000 0.000 0.284 199 A C 0.071 177.778 177.584 0.205 0.000 1.160 199 A CA -0.265 51.839 52.037 0.113 0.000 0.818 199 A CB 0.273 19.322 19.000 0.082 0.000 1.087 199 A HN 1.001 nan 8.150 nan 0.000 0.504 200 D N 1.876 122.357 120.400 0.135 0.000 2.571 200 D HA 0.309 4.949 4.640 0.000 0.000 0.231 200 D C 1.380 177.724 176.300 0.074 0.000 1.133 200 D CA 2.033 56.095 54.000 0.104 0.000 0.862 200 D CB 0.229 41.062 40.800 0.055 0.000 1.179 200 D HN 1.309 nan 8.370 nan 0.000 0.474 201 G N 3.401 112.202 108.800 0.002 0.000 2.159 201 G HA2 -0.284 3.676 3.960 0.000 0.000 0.256 201 G HA3 -0.284 3.676 3.960 0.000 0.000 0.256 201 G C 1.025 175.900 174.900 -0.041 0.000 0.977 201 G CA 0.512 45.583 45.100 -0.049 0.000 0.652 201 G HN 0.738 nan 8.290 nan 0.000 0.531 202 W N 0.362 121.640 121.300 -0.037 0.000 2.374 202 W HA -0.078 4.582 4.660 0.000 0.000 0.288 202 W C 1.519 177.988 176.519 -0.083 0.000 1.218 202 W CA 1.414 58.731 57.345 -0.047 0.000 1.245 202 W CB -0.739 28.698 29.460 -0.038 0.000 1.126 202 W HN 0.391 nan 8.180 nan 0.000 0.545 203 Q N 1.496 120.717 119.800 -0.965 0.000 2.084 203 Q HA -0.156 4.185 4.340 0.000 0.000 0.202 203 Q C 2.216 177.986 176.000 -0.385 0.000 0.978 203 Q CA 2.417 57.584 55.803 -1.060 0.000 0.844 203 Q CB -0.436 27.639 28.738 -1.106 0.000 0.898 203 Q HN 0.285 nan 8.270 nan 0.000 0.426 204 K N -0.049 120.225 120.400 -0.210 0.000 2.097 204 K HA -0.080 4.240 4.320 0.000 0.000 0.206 204 K C 2.035 178.645 176.600 0.016 0.000 1.049 204 K CA 1.151 57.403 56.287 -0.058 0.000 0.933 204 K CB -0.187 32.287 32.500 -0.043 0.000 0.717 204 K HN 0.220 nan 8.250 nan 0.000 0.442 205 A N 1.243 124.084 122.820 0.034 0.000 1.898 205 A HA -0.079 4.241 4.320 0.000 0.000 0.216 205 A C 2.345 180.031 177.584 0.169 0.000 1.181 205 A CA 1.688 53.778 52.037 0.089 0.000 0.620 205 A CB -0.741 18.311 19.000 0.087 0.000 0.819 205 A HN 0.317 nan 8.150 nan 0.000 0.442 206 A N 0.409 123.370 122.820 0.236 0.000 1.892 206 A HA -0.247 4.073 4.320 0.000 0.000 0.218 206 A C 1.761 179.599 177.584 0.423 0.000 1.188 206 A CA 2.074 54.381 52.037 0.449 0.000 0.631 206 A CB -0.714 18.554 19.000 0.446 0.000 0.822 206 A HN 0.469 nan 8.150 nan 0.000 0.447 207 D N -0.903 119.655 120.400 0.264 0.000 2.117 207 D HA -0.059 4.581 4.640 0.000 0.000 0.197 207 D C 2.545 178.963 176.300 0.197 0.000 0.987 207 D CA 2.013 56.147 54.000 0.222 0.000 0.829 207 D CB -0.680 40.212 40.800 0.153 0.000 0.961 207 D HN 0.639 nan 8.370 nan 0.000 0.460 208 Q N 0.683 120.583 119.800 0.167 0.000 2.170 208 Q HA 0.046 4.386 4.340 0.000 0.000 0.203 208 Q C 2.229 178.342 176.000 0.188 0.000 0.976 208 Q CA 1.872 57.760 55.803 0.142 0.000 0.858 208 Q CB -0.892 27.903 28.738 0.095 0.000 0.907 208 Q HN 0.394 nan 8.270 nan 0.000 0.433 209 A N 0.649 123.630 122.820 0.268 0.000 1.969 209 A HA 0.310 4.630 4.320 0.000 0.000 0.218 209 A C 2.708 180.593 177.584 0.501 0.000 1.169 209 A CA 1.809 54.058 52.037 0.353 0.000 0.635 209 A CB -0.686 18.552 19.000 0.396 0.000 0.810 209 A HN 1.079 nan 8.150 nan 0.000 0.445 210 A N -0.066 123.048 122.820 0.490 0.000 1.933 210 A HA 0.183 4.503 4.320 0.000 0.000 0.218 210 A C 2.448 180.233 177.584 0.335 0.000 1.175 210 A CA 1.909 54.096 52.037 0.249 0.000 0.628 210 A CB -0.859 18.116 19.000 -0.040 0.000 0.814 210 A HN 0.988 nan 8.150 nan 0.000 0.444 211 A N -0.340 122.628 122.820 0.247 0.000 1.930 211 A HA 0.045 4.365 4.320 0.000 0.000 0.217 211 A C 2.124 179.786 177.584 0.129 0.000 1.175 211 A CA 1.280 53.416 52.037 0.165 0.000 0.627 211 A CB -0.499 18.569 19.000 0.113 0.000 0.815 211 A HN 0.464 nan 8.150 nan 0.000 0.443 212 L N -1.076 120.244 121.223 0.161 0.000 2.093 212 L HA -0.148 4.192 4.340 0.000 0.000 0.208 212 L C 2.522 179.480 176.870 0.147 0.000 1.085 212 L CA 1.027 55.947 54.840 0.132 0.000 0.755 212 L CB -0.492 41.648 42.059 0.135 0.000 0.904 212 L HN 0.450 nan 8.230 nan 0.000 0.435 213 L N 0.247 121.613 121.223 0.238 0.000 2.083 213 L HA -0.117 4.223 4.340 0.000 0.000 0.209 213 L C 2.598 179.552 176.870 0.140 0.000 1.083 213 L CA 1.900 56.895 54.840 0.258 0.000 0.752 213 L CB -0.670 41.639 42.059 0.418 0.000 0.899 213 L HN 0.131 nan 8.230 nan 0.000 0.433 214 A N -0.838 122.006 122.820 0.040 0.000 1.902 214 A HA -0.143 4.177 4.320 0.000 0.000 0.217 214 A C 2.054 179.529 177.584 -0.182 0.000 1.181 214 A CA 1.601 53.440 52.037 -0.330 0.000 0.623 214 A CB -0.466 18.217 19.000 -0.529 0.000 0.818 214 A HN 0.541 nan 8.150 nan 0.000 0.443 215 E N 0.093 120.250 120.200 -0.072 0.000 2.435 215 E HA 0.168 4.518 4.350 0.000 0.000 0.195 215 E C 0.787 177.377 176.600 -0.017 0.000 1.029 215 E CA 0.613 56.986 56.400 -0.045 0.000 0.865 215 E CB -0.324 29.368 29.700 -0.013 0.000 0.833 215 E HN 0.534 nan 8.360 nan 0.000 0.510 216 A N 1.323 124.146 122.820 0.005 0.000 2.331 216 A HA 0.215 4.535 4.320 0.000 0.000 0.283 216 A C 0.954 178.531 177.584 -0.011 0.000 1.142 216 A CA -0.311 51.743 52.037 0.028 0.000 0.812 216 A CB 0.749 19.789 19.000 0.066 0.000 1.074 216 A HN -0.067 nan 8.150 nan 0.000 0.497 217 K N 0.262 120.655 120.400 -0.011 0.000 2.166 217 K HA 0.045 4.365 4.320 0.000 0.000 0.201 217 K C -0.276 176.069 176.600 -0.425 0.000 1.052 217 K CA 0.896 57.087 56.287 -0.160 0.000 0.969 217 K CB 0.088 32.570 32.500 -0.029 0.000 0.761 217 K HN 0.797 nan 8.250 nan 0.000 0.459 218 H N 0.450 119.564 119.070 0.074 0.000 2.538 218 H HA 0.211 4.768 4.556 0.000 0.000 0.239 218 H C -2.673 172.716 175.328 0.102 0.000 1.401 218 H CA -1.876 54.239 56.048 0.112 0.000 1.499 218 H CB 1.137 30.970 29.762 0.119 0.000 1.624 218 H HN 0.098 nan 8.280 nan 0.000 0.524 219 P HA 0.187 nan 4.420 nan 0.000 0.279 219 P C -0.008 177.367 177.300 0.125 0.000 1.252 219 P CA -0.498 62.678 63.100 0.128 0.000 0.811 219 P CB 2.299 34.072 31.700 0.121 0.000 1.035 220 V N -1.110 118.860 119.914 0.094 0.000 3.007 220 V HA 0.561 4.681 4.120 0.000 0.000 0.311 220 V C -0.775 175.338 176.094 0.032 0.000 1.120 220 V CA -1.149 61.189 62.300 0.063 0.000 0.980 220 V CB 1.810 33.704 31.823 0.120 0.000 1.033 220 V HN 0.262 nan 8.190 nan 0.000 0.429 221 L N 3.247 124.480 121.223 0.015 0.000 2.272 221 L HA 0.658 4.998 4.340 0.000 0.000 0.289 221 L C -0.566 176.319 176.870 0.026 0.000 1.032 221 L CA -0.728 54.119 54.840 0.011 0.000 0.810 221 L CB 1.728 43.798 42.059 0.018 0.000 1.205 221 L HN 0.553 nan 8.230 nan 0.000 0.422 222 V N 4.879 124.803 119.914 0.016 0.000 2.347 222 V HA 0.362 4.482 4.120 0.000 0.000 0.280 222 V C 0.019 176.151 176.094 0.062 0.000 1.021 222 V CA -0.546 61.793 62.300 0.065 0.000 0.847 222 V CB 1.870 33.719 31.823 0.042 0.000 0.990 222 V HN 0.422 nan 8.190 nan 0.000 0.444 223 V N 4.418 124.375 119.914 0.072 0.000 2.417 223 V HA 0.830 4.950 4.120 0.000 0.000 0.291 223 V C 0.695 176.825 176.094 0.061 0.000 1.024 223 V CA -0.176 62.155 62.300 0.052 0.000 0.861 223 V CB 1.632 33.472 31.823 0.029 0.000 0.985 223 V HN 0.901 nan 8.190 nan 0.000 0.436 224 G N 2.073 110.903 108.800 0.049 0.000 2.667 224 G HA2 0.591 4.551 3.960 0.000 0.000 0.310 224 G HA3 0.591 4.551 3.960 0.000 0.000 0.310 224 G C 0.844 175.766 174.900 0.037 0.000 1.259 224 G CA 0.008 45.129 45.100 0.034 0.000 1.019 224 G HN 0.887 nan 8.290 nan 0.000 0.496 225 A N -0.506 122.353 122.820 0.064 0.000 1.972 225 A HA 0.206 4.526 4.320 0.000 0.000 0.219 225 A C 2.651 180.297 177.584 0.102 0.000 1.169 225 A CA 2.354 54.471 52.037 0.134 0.000 0.635 225 A CB -0.771 18.370 19.000 0.236 0.000 0.810 225 A HN 1.371 nan 8.150 nan 0.000 0.446 226 A N 0.078 122.930 122.820 0.054 0.000 1.986 226 A HA 0.066 4.386 4.320 0.000 0.000 0.220 226 A C 2.461 180.059 177.584 0.023 0.000 1.171 226 A CA 2.128 54.186 52.037 0.035 0.000 0.640 226 A CB -0.953 18.052 19.000 0.009 0.000 0.811 226 A HN 1.097 nan 8.150 nan 0.000 0.451 227 A N -0.140 122.687 122.820 0.012 0.000 1.940 227 A HA -0.114 4.206 4.320 0.000 0.000 0.219 227 A C 2.100 179.673 177.584 -0.019 0.000 1.176 227 A CA 1.637 53.673 52.037 -0.002 0.000 0.631 227 A CB -0.571 18.428 19.000 -0.003 0.000 0.814 227 A HN 0.529 nan 8.150 nan 0.000 0.446 228 I N -1.130 119.416 120.570 -0.041 0.000 2.286 228 I HA -0.208 3.962 4.170 0.000 0.000 0.245 228 I C 2.674 178.788 176.117 -0.004 0.000 1.104 228 I CA 1.012 62.251 61.300 -0.102 0.000 1.397 228 I CB -0.317 37.480 38.000 -0.340 0.000 1.072 228 I HN 0.242 nan 8.210 nan 0.000 0.417 229 R N -0.044 120.502 120.500 0.077 0.000 2.127 229 R HA -0.145 4.195 4.340 0.000 0.000 0.238 229 R C 2.412 178.736 176.300 0.041 0.000 1.134 229 R CA 1.447 57.601 56.100 0.090 0.000 0.975 229 R CB -0.437 29.916 30.300 0.089 0.000 0.865 229 R HN 0.233 nan 8.270 nan 0.000 0.447 230 S N -0.670 115.041 115.700 0.019 0.000 2.481 230 S HA -0.001 4.469 4.470 0.000 0.000 0.231 230 S C 1.115 175.717 174.600 0.003 0.000 0.996 230 S CA 0.919 59.121 58.200 0.004 0.000 0.942 230 S CB 0.026 63.223 63.200 -0.006 0.000 0.768 230 S HN 0.652 nan 8.310 nan 0.000 0.520 231 G N 0.129 108.930 108.800 0.001 0.000 2.171 231 G HA2 -0.165 3.795 3.960 0.000 0.000 0.238 231 G HA3 -0.165 3.795 3.960 0.000 0.000 0.238 231 G C 0.400 175.295 174.900 -0.008 0.000 1.039 231 G CA 0.203 45.301 45.100 -0.003 0.000 0.759 231 G HN 0.877 nan 8.290 nan 0.000 0.501 232 A N -0.899 121.914 122.820 -0.012 0.000 2.387 232 A HA 0.664 4.984 4.320 0.000 0.000 0.234 232 A C 2.120 179.694 177.584 -0.016 0.000 1.253 232 A CA 1.311 53.346 52.037 -0.005 0.000 0.894 232 A CB 0.218 19.225 19.000 0.012 0.000 0.963 232 A HN 0.898 nan 8.150 nan 0.000 0.508 233 V N 1.165 121.057 119.914 -0.037 0.000 2.237 233 V HA -0.152 3.968 4.120 0.000 0.000 0.245 233 V C -0.098 175.971 176.094 -0.041 0.000 1.046 233 V CA 2.665 64.934 62.300 -0.051 0.000 1.007 233 V CB -1.345 30.430 31.823 -0.080 0.000 0.638 233 V HN 0.367 nan 8.190 nan 0.000 0.445 234 P HA -0.191 nan 4.420 nan 0.000 0.215 234 P C 1.660 178.949 177.300 -0.019 0.000 1.157 234 P CA 2.232 65.316 63.100 -0.028 0.000 0.874 234 P CB -0.200 31.489 31.700 -0.018 0.000 0.790 235 A N -0.981 121.832 122.820 -0.011 0.000 1.933 235 A HA -0.164 4.156 4.320 0.000 0.000 0.218 235 A C 2.244 179.829 177.584 0.003 0.000 1.175 235 A CA 1.410 53.445 52.037 -0.003 0.000 0.628 235 A CB -1.580 17.422 19.000 0.004 0.000 0.814 235 A HN 0.116 nan 8.150 nan 0.000 0.444 236 I N -1.039 119.532 120.570 0.002 0.000 2.179 236 I HA -0.249 3.921 4.170 0.000 0.000 0.242 236 I C 2.676 178.791 176.117 -0.004 0.000 1.088 236 I CA 1.653 62.959 61.300 0.010 0.000 1.357 236 I CB -0.307 37.697 38.000 0.007 0.000 1.051 236 I HN 0.377 nan 8.210 nan 0.000 0.409 237 R N 1.268 121.749 120.500 -0.032 0.000 2.096 237 R HA -0.237 4.103 4.340 0.000 0.000 0.240 237 R C 2.313 178.601 176.300 -0.020 0.000 1.139 237 R CA 1.930 57.996 56.100 -0.058 0.000 0.952 237 R CB -0.310 29.933 30.300 -0.094 0.000 0.854 237 R HN 0.381 nan 8.270 nan 0.000 0.436 238 A N 0.817 123.633 122.820 -0.007 0.000 1.930 238 A HA -0.133 4.187 4.320 0.000 0.000 0.217 238 A C 2.027 179.620 177.584 0.015 0.000 1.175 238 A CA 1.190 53.230 52.037 0.006 0.000 0.627 238 A CB -0.543 18.457 19.000 -0.001 0.000 0.815 238 A HN 0.408 nan 8.150 nan 0.000 0.443 239 L N -0.134 121.102 121.223 0.021 0.000 1.994 239 L HA -0.055 4.285 4.340 0.000 0.000 0.208 239 L C 2.693 179.594 176.870 0.051 0.000 1.071 239 L CA 2.340 57.203 54.840 0.040 0.000 0.745 239 L CB -0.836 41.270 42.059 0.077 0.000 0.892 239 L HN 0.322 nan 8.230 nan 0.000 0.431 240 A N -0.781 122.068 122.820 0.049 0.000 1.908 240 A HA -0.260 4.060 4.320 0.000 0.000 0.218 240 A C 2.169 179.790 177.584 0.061 0.000 1.181 240 A CA 2.047 54.114 52.037 0.050 0.000 0.627 240 A CB -0.740 18.278 19.000 0.030 0.000 0.818 240 A HN 0.646 nan 8.150 nan 0.000 0.445 241 E N -1.023 119.220 120.200 0.073 0.000 2.072 241 E HA -0.190 4.160 4.350 0.000 0.000 0.191 241 E C 2.311 178.943 176.600 0.054 0.000 0.985 241 E CA 1.193 57.649 56.400 0.093 0.000 0.801 241 E CB -0.167 29.602 29.700 0.116 0.000 0.750 241 E HN 0.641 nan 8.360 nan 0.000 0.452 242 R N 0.801 121.324 120.500 0.038 0.000 2.081 242 R HA -0.087 4.253 4.340 0.000 0.000 0.235 242 R C 1.725 178.042 176.300 0.029 0.000 1.131 242 R CA 1.119 57.234 56.100 0.024 0.000 0.960 242 R CB 0.016 30.320 30.300 0.007 0.000 0.856 242 R HN 0.162 nan 8.270 nan 0.000 0.436 243 L N 0.442 121.689 121.223 0.039 0.000 2.640 243 L HA 0.160 4.500 4.340 0.000 0.000 0.230 243 L C 0.095 176.991 176.870 0.044 0.000 1.123 243 L CA -0.219 54.652 54.840 0.051 0.000 0.900 243 L CB -0.012 42.093 42.059 0.076 0.000 1.146 243 L HN 0.307 nan 8.230 nan 0.000 0.484 244 N N 1.407 120.128 118.700 0.035 0.000 2.740 244 N HA -0.210 4.530 4.740 0.000 0.000 0.248 244 N C -0.551 174.961 175.510 0.003 0.000 1.062 244 N CA 0.444 53.506 53.050 0.021 0.000 0.704 244 N CB -1.209 37.287 38.487 0.015 0.000 0.968 244 N HN 0.336 nan 8.380 nan 0.000 0.547 245 I N 0.534 121.108 120.570 0.008 0.000 2.315 245 I HA 0.336 4.506 4.170 0.000 0.000 0.291 245 I C -1.831 174.223 176.117 -0.106 0.000 1.006 245 I CA -2.050 59.239 61.300 -0.018 0.000 1.265 245 I CB 1.252 39.277 38.000 0.042 0.000 1.387 245 I HN 0.005 nan 8.210 nan 0.000 0.475 246 P HA 0.056 nan 4.420 nan 0.000 0.269 246 P C -0.754 176.379 177.300 -0.278 0.000 1.209 246 P CA -0.099 62.664 63.100 -0.562 0.000 0.776 246 P CB 0.641 31.532 31.700 -1.348 0.000 0.876 247 V N 4.825 124.631 119.914 -0.181 0.000 2.384 247 V HA 0.386 4.506 4.120 0.000 0.000 0.287 247 V C 0.328 176.432 176.094 0.017 0.000 1.020 247 V CA -0.341 61.932 62.300 -0.045 0.000 0.850 247 V CB 1.050 32.865 31.823 -0.014 0.000 0.987 247 V HN 0.382 nan 8.190 nan 0.000 0.436 248 I N 4.326 124.927 120.570 0.052 0.000 2.493 248 I HA 0.641 4.811 4.170 0.000 0.000 0.298 248 I C 0.367 176.556 176.117 0.119 0.000 0.998 248 I CA -0.260 61.104 61.300 0.107 0.000 1.137 248 I CB 2.488 40.571 38.000 0.139 0.000 1.310 248 I HN 0.738 nan 8.210 nan 0.000 0.445 249 T N 0.098 114.729 114.554 0.128 0.000 2.930 249 T HA 0.559 4.909 4.350 0.000 0.000 0.290 249 T C 0.105 174.902 174.700 0.161 0.000 1.052 249 T CA -0.729 61.447 62.100 0.126 0.000 1.017 249 T CB 1.666 70.597 68.868 0.104 0.000 1.137 249 T HN 0.676 nan 8.240 nan 0.000 0.511 250 T N 0.076 114.710 114.554 0.133 0.000 2.698 250 T HA 0.190 4.540 4.350 0.000 0.000 0.295 250 T C 0.960 175.797 174.700 0.228 0.000 1.007 250 T CA -0.399 61.763 62.100 0.102 0.000 0.980 250 T CB -0.110 68.752 68.868 -0.009 0.000 1.036 250 T HN 0.537 nan 8.240 nan 0.000 0.526 251 Y N 0.764 121.155 120.300 0.152 0.000 2.081 251 Y HA -0.062 4.488 4.550 0.000 0.000 0.280 251 Y C 2.457 178.539 175.900 0.304 0.000 1.163 251 Y CA 1.122 59.352 58.100 0.217 0.000 1.135 251 Y CB -1.322 37.278 38.460 0.233 0.000 0.970 251 Y HN 0.694 nan 8.280 nan 0.000 0.498 252 I N -2.676 118.136 120.570 0.404 0.000 3.793 252 I HA 0.369 4.539 4.170 0.000 0.000 0.315 252 I C 1.774 178.088 176.117 0.330 0.000 1.275 252 I CA 0.867 62.410 61.300 0.404 0.000 1.214 252 I CB -0.380 37.839 38.000 0.364 0.000 1.018 252 I HN 0.023 nan 8.210 nan 0.000 0.439 253 A N 1.149 124.096 122.820 0.211 0.000 2.238 253 A HA 0.159 4.480 4.320 0.000 0.000 0.208 253 A C 0.965 178.598 177.584 0.081 0.000 1.177 253 A CA -0.152 51.938 52.037 0.089 0.000 0.804 253 A CB -0.407 18.630 19.000 0.062 0.000 0.823 253 A HN 0.389 nan 8.150 nan 0.000 0.482 254 K N -0.447 120.043 120.400 0.151 0.000 2.524 254 K HA 0.290 4.610 4.320 0.000 0.000 0.279 254 K C 1.142 177.792 176.600 0.083 0.000 0.993 254 K CA 0.930 57.285 56.287 0.114 0.000 1.030 254 K CB 0.079 32.657 32.500 0.129 0.000 0.891 254 K HN 0.592 nan 8.250 nan 0.000 0.488 255 G N 0.789 109.614 108.800 0.042 0.000 2.176 255 G HA2 -0.289 3.671 3.960 0.000 0.000 0.232 255 G HA3 -0.289 3.671 3.960 0.000 0.000 0.232 255 G C 0.693 175.575 174.900 -0.030 0.000 0.986 255 G CA 0.164 45.275 45.100 0.018 0.000 0.643 255 G HN 0.530 nan 8.290 nan 0.000 0.522 256 V N -1.638 118.249 119.914 -0.045 0.000 2.759 256 V HA 0.404 4.524 4.120 0.000 0.000 0.256 256 V C 1.241 177.283 176.094 -0.087 0.000 1.080 256 V CA 1.427 63.682 62.300 -0.074 0.000 1.101 256 V CB -0.306 31.476 31.823 -0.067 0.000 0.698 256 V HN 0.435 nan 8.190 nan 0.000 0.477 257 L N 0.668 121.843 121.223 -0.080 0.000 2.346 257 L HA 0.581 4.921 4.340 0.000 0.000 0.274 257 L C -2.482 174.357 176.870 -0.052 0.000 1.007 257 L CA -2.211 52.547 54.840 -0.137 0.000 0.818 257 L CB 2.051 44.004 42.059 -0.177 0.000 1.284 257 L HN -0.023 nan 8.230 nan 0.000 0.424 258 P HA -0.022 nan 4.420 nan 0.000 0.267 258 P C -0.493 176.845 177.300 0.064 0.000 1.201 258 P CA -0.298 62.815 63.100 0.023 0.000 0.775 258 P CB 0.398 32.123 31.700 0.042 0.000 0.854 259 V N 2.208 122.156 119.914 0.057 0.000 2.599 259 V HA 0.254 4.374 4.120 0.000 0.000 0.300 259 V C 1.691 177.829 176.094 0.074 0.000 1.034 259 V CA 2.016 64.353 62.300 0.062 0.000 1.115 259 V CB -0.386 31.468 31.823 0.051 0.000 0.934 259 V HN 1.052 nan 8.190 nan 0.000 0.485 260 G N 2.706 111.552 108.800 0.078 0.000 2.254 260 G HA2 -0.236 3.724 3.960 0.000 0.000 0.225 260 G HA3 -0.236 3.724 3.960 0.000 0.000 0.225 260 G C 0.407 175.359 174.900 0.088 0.000 1.003 260 G CA 0.215 45.356 45.100 0.067 0.000 0.622 260 G HN 0.876 nan 8.290 nan 0.000 0.507 261 H N 2.574 121.662 119.070 0.029 0.000 3.064 261 H HA 0.123 4.679 4.556 0.000 0.000 0.329 261 H C 1.969 177.327 175.328 0.050 0.000 1.020 261 H CA 1.264 57.333 56.048 0.034 0.000 1.402 261 H CB 0.686 30.468 29.762 0.032 0.000 1.379 261 H HN 0.667 nan 8.280 nan 0.000 0.594 262 E N 4.503 124.546 120.200 -0.261 0.000 2.268 262 E HA -0.123 4.227 4.350 0.000 0.000 0.195 262 E C 1.034 177.702 176.600 0.112 0.000 0.995 262 E CA 0.836 57.184 56.400 -0.087 0.000 0.836 262 E CB 0.053 29.662 29.700 -0.152 0.000 0.763 262 E HN 0.634 nan 8.360 nan 0.000 0.491 263 L N 0.996 122.344 121.223 0.208 0.000 2.607 263 L HA 0.131 4.471 4.340 0.000 0.000 0.228 263 L C 1.043 178.079 176.870 0.278 0.000 1.123 263 L CA -0.354 54.636 54.840 0.249 0.000 0.890 263 L CB -0.168 42.027 42.059 0.226 0.000 1.103 263 L HN 0.036 nan 8.230 nan 0.000 0.468 264 N N 0.387 119.285 118.700 0.329 0.000 2.498 264 N HA -0.087 4.653 4.740 0.000 0.000 0.277 264 N C 0.323 176.008 175.510 0.291 0.000 1.208 264 N CA 0.139 53.328 53.050 0.232 0.000 1.029 264 N CB 0.229 38.818 38.487 0.170 0.000 1.403 264 N HN 0.094 nan 8.380 nan 0.000 0.500 265 Y N 1.420 121.718 120.300 -0.004 0.000 2.502 265 Y HA 0.193 4.743 4.550 0.000 0.000 0.295 265 Y C 1.787 177.661 175.900 -0.043 0.000 1.193 265 Y CA 0.219 58.294 58.100 -0.042 0.000 1.295 265 Y CB -0.469 37.948 38.460 -0.072 0.000 1.059 265 Y HN 0.585 nan 8.280 nan 0.000 0.514 266 G N -0.096 108.766 108.800 0.104 0.000 2.728 266 G HA2 0.119 4.079 3.960 0.000 0.000 0.294 266 G HA3 0.119 4.079 3.960 0.000 0.000 0.294 266 G C -0.562 174.368 174.900 0.052 0.000 1.342 266 G CA -0.705 44.414 45.100 0.032 0.000 0.866 266 G HN 0.547 nan 8.290 nan 0.000 0.534 267 A N -1.192 121.642 122.820 0.023 0.000 2.294 267 A HA 0.858 5.178 4.320 0.000 0.000 0.330 267 A C 0.133 177.778 177.584 0.101 0.000 1.133 267 A CA -0.013 52.074 52.037 0.083 0.000 0.836 267 A CB 1.775 20.819 19.000 0.074 0.000 1.190 267 A HN 1.879 nan 8.150 nan 0.000 0.492 268 V N 0.845 120.880 119.914 0.202 0.000 2.483 268 V HA 0.680 4.800 4.120 0.000 0.000 0.295 268 V C 0.358 176.645 176.094 0.322 0.000 1.035 268 V CA -0.027 62.418 62.300 0.242 0.000 0.896 268 V CB 1.576 33.599 31.823 0.332 0.000 0.986 268 V HN 1.052 nan 8.190 nan 0.000 0.447 269 T N 2.412 117.120 114.554 0.257 0.000 2.912 269 T HA 0.499 4.850 4.350 0.000 0.000 0.299 269 T C 1.141 175.954 174.700 0.189 0.000 1.052 269 T CA 0.232 62.540 62.100 0.347 0.000 0.996 269 T CB 1.712 70.781 68.868 0.335 0.000 1.070 269 T HN 0.809 nan 8.240 nan 0.000 0.465 270 G N 1.971 110.856 108.800 0.141 0.000 2.501 270 G HA2 0.016 3.976 3.960 0.000 0.000 0.220 270 G HA3 0.016 3.976 3.960 0.000 0.000 0.220 270 G C 0.160 174.994 174.900 -0.110 0.000 1.114 270 G CA 0.814 45.894 45.100 -0.032 0.000 0.757 270 G HN 0.675 nan 8.290 nan 0.000 0.559 274 G N 1.217 109.670 108.800 -0.578 0.000 2.422 274 G HA2 -0.080 3.880 3.960 0.000 0.000 0.218 274 G HA3 -0.080 3.880 3.960 0.000 0.000 0.218 274 G C 1.639 176.312 174.900 -0.379 0.000 1.140 274 G CA 0.615 45.060 45.100 -1.093 0.000 0.775 274 G HN 0.290 nan 8.290 nan 0.000 0.545 275 I N -0.031 120.452 120.570 -0.145 0.000 2.333 275 I HA 0.026 4.196 4.170 0.000 0.000 0.246 275 I C 2.300 178.382 176.117 -0.059 0.000 1.106 275 I CA 0.692 61.987 61.300 -0.009 0.000 1.411 275 I CB 0.022 37.832 38.000 -0.316 0.000 1.082 275 I HN 0.091 nan 8.210 nan 0.000 0.420 276 L N 0.002 121.109 121.223 -0.193 0.000 2.567 276 L HA 0.078 4.418 4.340 0.000 0.000 0.225 276 L C 0.442 177.401 176.870 0.148 0.000 1.119 276 L CA -0.031 54.650 54.840 -0.264 0.000 0.871 276 L CB -0.380 41.490 42.059 -0.315 0.000 1.036 276 L HN 0.336 nan 8.230 nan 0.000 0.459 277 N N 0.755 119.532 118.700 0.128 0.000 2.669 277 N HA -0.299 4.441 4.740 0.000 0.000 0.266 277 N C -0.901 174.752 175.510 0.238 0.000 1.024 277 N CA 0.539 53.681 53.050 0.153 0.000 0.766 277 N CB -0.948 37.668 38.487 0.214 0.000 0.898 277 N HN 0.260 nan 8.380 nan 0.000 0.548 278 F N 0.291 120.225 119.950 -0.027 0.000 2.672 278 F HA 0.432 4.960 4.527 0.000 0.000 0.311 278 F C -2.321 173.452 175.800 -0.045 0.000 1.113 278 F CA -1.648 56.340 58.000 -0.020 0.000 0.996 278 F CB 1.626 40.615 39.000 -0.017 0.000 1.286 278 F HN -0.007 nan 8.300 nan 0.000 0.441 279 P HA 0.206 nan 4.420 nan 0.000 0.237 279 P C -0.190 177.027 177.300 -0.139 0.000 1.788 279 P CA 0.376 63.297 63.100 -0.299 0.000 1.061 279 P CB 0.447 31.934 31.700 -0.354 0.000 1.967 280 A N 2.792 125.678 122.820 0.110 0.000 1.897 280 A HA -0.078 4.242 4.320 0.000 0.000 0.215 280 A C 2.087 179.742 177.584 0.118 0.000 1.181 280 A CA 0.929 53.100 52.037 0.223 0.000 0.620 280 A CB -1.017 18.078 19.000 0.157 0.000 0.821 280 A HN 0.346 nan 8.150 nan 0.000 0.443 281 L N -1.013 120.273 121.223 0.105 0.000 2.046 281 L HA -0.224 4.116 4.340 0.000 0.000 0.208 281 L C 2.830 179.815 176.870 0.191 0.000 1.077 281 L CA 1.644 56.600 54.840 0.193 0.000 0.747 281 L CB -0.456 41.712 42.059 0.181 0.000 0.896 281 L HN 0.427 nan 8.230 nan 0.000 0.432 282 Q N -0.098 119.753 119.800 0.085 0.000 2.096 282 Q HA -0.098 4.242 4.340 0.000 0.000 0.204 282 Q C 1.045 177.071 176.000 0.042 0.000 0.982 282 Q CA 1.356 57.188 55.803 0.048 0.000 0.850 282 Q CB -0.281 28.439 28.738 -0.030 0.000 0.901 282 Q HN 0.371 nan 8.270 nan 0.000 0.422 286 A N 1.417 124.289 122.820 0.087 0.000 1.892 286 A HA -0.128 4.192 4.320 0.000 0.000 0.218 286 A C -0.530 177.035 177.584 -0.032 0.000 1.188 286 A CA 2.514 54.568 52.037 0.029 0.000 0.631 286 A CB -1.873 17.128 19.000 0.003 0.000 0.822 286 A HN 0.234 nan 8.150 nan 0.000 0.447 287 P HA 0.189 nan 4.420 nan 0.000 0.255 287 P C -0.129 177.065 177.300 -0.176 0.000 1.248 287 P CA 0.150 63.140 63.100 -0.183 0.000 0.807 287 P CB 0.010 31.531 31.700 -0.298 0.000 1.150 288 V N 3.210 123.038 119.914 -0.143 0.000 2.572 288 V HA 0.014 4.135 4.120 0.000 0.000 0.291 288 V C 1.455 177.589 176.094 0.066 0.000 1.039 288 V CA 0.737 63.027 62.300 -0.017 0.000 1.055 288 V CB 0.769 32.625 31.823 0.054 0.000 0.969 288 V HN 0.160 nan 8.190 nan 0.000 0.482 289 D N 3.114 123.575 120.400 0.102 0.000 2.441 289 D HA 0.162 4.802 4.640 0.000 0.000 0.210 289 D C -0.086 176.257 176.300 0.071 0.000 1.102 289 D CA -0.070 53.982 54.000 0.087 0.000 0.840 289 D CB 0.610 41.467 40.800 0.095 0.000 0.990 289 D HN 0.314 nan 8.370 nan 0.000 0.505 290 L N 0.936 122.200 121.223 0.068 0.000 2.528 290 L HA 0.449 4.789 4.340 0.000 0.000 0.267 290 L C -1.784 175.082 176.870 -0.006 0.000 0.961 290 L CA -0.877 53.987 54.840 0.039 0.000 0.866 290 L CB 2.269 44.371 42.059 0.072 0.000 1.248 290 L HN -0.184 nan 8.230 nan 0.000 0.404 291 V N 6.435 126.279 119.914 -0.117 0.000 2.328 291 V HA 0.430 4.550 4.120 0.000 0.000 0.278 291 V C -0.283 175.653 176.094 -0.263 0.000 1.021 291 V CA -0.367 61.771 62.300 -0.270 0.000 0.838 291 V CB 1.302 32.690 31.823 -0.724 0.000 0.999 291 V HN 0.558 nan 8.190 nan 0.000 0.447 292 L N 5.199 126.321 121.223 -0.168 0.000 2.259 292 L HA 0.399 4.739 4.340 0.000 0.000 0.288 292 L C 0.845 177.609 176.870 -0.178 0.000 1.051 292 L CA -0.031 54.715 54.840 -0.156 0.000 0.824 292 L CB 1.384 43.391 42.059 -0.086 0.000 1.206 292 L HN 0.747 nan 8.230 nan 0.000 0.429 293 T N 0.426 114.852 114.554 -0.213 0.000 2.992 293 T HA 0.414 4.764 4.350 0.000 0.000 0.299 293 T C 0.037 174.720 174.700 -0.027 0.000 1.027 293 T CA -0.688 61.344 62.100 -0.114 0.000 1.001 293 T CB 0.034 68.797 68.868 -0.175 0.000 1.005 293 T HN 0.137 nan 8.240 nan 0.000 0.599 294 V N 3.580 123.479 119.914 -0.026 0.000 2.408 294 V HA 0.584 4.704 4.120 0.000 0.000 0.267 294 V C 1.435 177.534 176.094 0.007 0.000 1.047 294 V CA 0.178 62.449 62.300 -0.049 0.000 0.937 294 V CB 0.073 31.889 31.823 -0.012 0.000 0.999 294 V HN 1.255 nan 8.190 nan 0.000 0.472 295 G N 3.923 112.718 108.800 -0.008 0.000 2.225 295 G HA2 -0.311 3.649 3.960 0.000 0.000 0.264 295 G HA3 -0.311 3.649 3.960 0.000 0.000 0.264 295 G C -0.189 174.749 174.900 0.065 0.000 1.060 295 G CA 0.036 45.147 45.100 0.018 0.000 0.833 295 G HN 0.887 nan 8.290 nan 0.000 0.498 296 Y N 0.944 121.246 120.300 0.004 0.000 2.497 296 Y HA 0.459 5.009 4.550 0.000 0.000 0.334 296 Y C 0.225 176.175 175.900 0.084 0.000 1.199 296 Y CA 0.279 58.418 58.100 0.065 0.000 1.425 296 Y CB 1.131 39.676 38.460 0.142 0.000 1.291 296 Y HN 0.243 nan 8.280 nan 0.000 0.562 297 D N 4.628 124.551 120.400 -0.796 0.000 2.470 297 D HA 0.013 4.653 4.640 0.000 0.000 0.233 297 D C -0.192 175.740 176.300 -0.613 0.000 1.372 297 D CA -0.519 53.194 54.000 -0.479 0.000 0.994 297 D CB 0.113 40.789 40.800 -0.207 0.000 1.377 297 D HN 0.539 nan 8.370 nan 0.000 0.586 298 Y N 3.634 123.620 120.300 -0.522 0.000 2.298 298 Y HA -0.165 4.385 4.550 0.000 0.000 0.287 298 Y C 1.908 177.703 175.900 -0.175 0.000 1.164 298 Y CA 2.170 60.127 58.100 -0.239 0.000 1.229 298 Y CB -0.199 38.272 38.460 0.017 0.000 0.977 298 Y HN 0.540 nan 8.280 nan 0.000 0.538 299 A N -0.007 122.729 122.820 -0.141 0.000 1.933 299 A HA -0.204 4.116 4.320 0.000 0.000 0.218 299 A C 2.075 179.524 177.584 -0.226 0.000 1.175 299 A CA 1.716 53.645 52.037 -0.180 0.000 0.628 299 A CB -0.634 18.307 19.000 -0.098 0.000 0.814 299 A HN 0.604 nan 8.150 nan 0.000 0.444 300 E N -1.484 118.570 120.200 -0.243 0.000 2.333 300 E HA -0.157 4.193 4.350 0.000 0.000 0.198 300 E C 0.219 176.588 176.600 -0.385 0.000 1.007 300 E CA 0.638 56.861 56.400 -0.295 0.000 0.845 300 E CB -0.100 29.441 29.700 -0.265 0.000 0.766 300 E HN 0.540 nan 8.360 nan 0.000 0.507 301 D N -0.937 119.272 120.400 -0.318 0.000 3.099 301 D HA -0.155 4.485 4.640 0.000 0.000 0.213 301 D C -0.960 175.248 176.300 -0.153 0.000 1.121 301 D CA 0.223 54.062 54.000 -0.269 0.000 0.951 301 D CB -0.980 39.707 40.800 -0.187 0.000 1.102 301 D HN 0.070 nan 8.370 nan 0.000 0.423 302 L N 1.792 122.957 121.223 -0.097 0.000 2.312 302 L HA 0.390 4.730 4.340 0.000 0.000 0.287 302 L C 0.199 177.172 176.870 0.173 0.000 1.091 302 L CA 0.218 55.106 54.840 0.081 0.000 0.846 302 L CB -0.021 42.140 42.059 0.170 0.000 1.219 302 L HN 0.007 nan 8.230 nan 0.000 0.439 303 R N 5.569 126.082 120.500 0.020 0.000 2.536 303 R HA 0.397 4.737 4.340 0.000 0.000 0.279 303 R C -1.553 174.391 176.300 -0.593 0.000 1.001 303 R CA -1.681 54.390 56.100 -0.048 0.000 1.027 303 R CB 0.349 30.637 30.300 -0.020 0.000 1.096 303 R HN 0.349 nan 8.270 nan 0.000 0.502 304 P HA -0.208 nan 4.420 nan 0.000 0.216 304 P C 0.423 176.861 177.300 -1.437 0.000 1.150 304 P CA 1.265 63.089 63.100 -2.127 0.000 0.843 304 P CB 0.037 31.015 31.700 -1.204 0.000 0.787 308 Q N 2.815 122.412 119.800 -0.340 0.000 3.027 308 Q HA 0.264 4.604 4.340 0.000 0.000 0.260 308 Q C -0.353 175.610 176.000 -0.062 0.000 1.379 308 Q CA 0.415 56.130 55.803 -0.147 0.000 1.038 308 Q CB 0.285 28.872 28.738 -0.251 0.000 1.578 308 Q HN -0.122 nan 8.270 nan 0.000 0.571 309 K N 0.398 120.812 120.400 0.025 0.000 2.427 309 K HA 0.585 4.905 4.320 0.000 0.000 0.252 309 K C 0.318 176.953 176.600 0.058 0.000 0.931 309 K CA -0.043 56.272 56.287 0.046 0.000 0.793 309 K CB 2.071 34.633 32.500 0.104 0.000 1.211 309 K HN 0.503 nan 8.250 nan 0.000 0.426 310 G N 2.652 111.469 108.800 0.027 0.000 2.536 310 G HA2 -0.312 3.648 3.960 0.000 0.000 0.280 310 G HA3 -0.312 3.648 3.960 0.000 0.000 0.280 310 G C 0.240 175.153 174.900 0.021 0.000 1.152 310 G CA 0.119 45.230 45.100 0.019 0.000 0.970 310 G HN 0.762 nan 8.290 nan 0.000 0.549 311 I N -0.271 120.312 120.570 0.023 0.000 3.004 311 I HA 0.583 4.753 4.170 0.000 0.000 0.287 311 I C 0.411 176.552 176.117 0.040 0.000 1.144 311 I CA -0.616 60.699 61.300 0.026 0.000 1.353 311 I CB 0.508 38.522 38.000 0.024 0.000 1.417 311 I HN 0.452 nan 8.210 nan 0.000 0.602 312 E N 3.212 123.435 120.200 0.037 0.000 2.392 312 E HA 0.212 4.562 4.350 0.000 0.000 0.264 312 E C -0.857 175.778 176.600 0.058 0.000 1.024 312 E CA 0.129 56.556 56.400 0.045 0.000 0.903 312 E CB 0.942 30.663 29.700 0.035 0.000 0.963 312 E HN 0.479 nan 8.360 nan 0.000 0.432 313 K N 1.879 122.324 120.400 0.075 0.000 2.318 313 K HA 0.350 4.670 4.320 0.000 0.000 0.249 313 K C -0.262 176.381 176.600 0.073 0.000 0.942 313 K CA -0.857 55.477 56.287 0.078 0.000 0.808 313 K CB 1.619 34.181 32.500 0.104 0.000 1.189 313 K HN 0.055 nan 8.250 nan 0.000 0.428 314 K N 1.241 121.673 120.400 0.053 0.000 2.098 314 K HA 0.396 4.716 4.320 0.000 0.000 0.258 314 K C -0.293 176.321 176.600 0.022 0.000 0.973 314 K CA -0.487 55.828 56.287 0.047 0.000 0.898 314 K CB 1.721 34.247 32.500 0.044 0.000 1.057 314 K HN 0.853 nan 8.250 nan 0.000 0.447 315 T N -2.472 112.100 114.554 0.028 0.000 2.876 315 T HA 0.558 4.908 4.350 0.000 0.000 0.289 315 T C -0.463 174.217 174.700 -0.032 0.000 1.014 315 T CA -0.845 61.250 62.100 -0.010 0.000 0.986 315 T CB 1.355 70.299 68.868 0.125 0.000 1.021 315 T HN 0.103 nan 8.240 nan 0.000 0.458 316 V N 2.673 122.539 119.914 -0.080 0.000 2.409 316 V HA 0.568 4.688 4.120 0.000 0.000 0.291 316 V C 0.224 176.221 176.094 -0.161 0.000 1.020 316 V CA -0.975 61.255 62.300 -0.117 0.000 0.848 316 V CB 1.451 33.208 31.823 -0.111 0.000 0.990 316 V HN 0.976 nan 8.190 nan 0.000 0.430 317 R N 4.384 124.768 120.500 -0.193 0.000 2.265 317 R HA 0.706 5.046 4.340 0.000 0.000 0.319 317 R C -1.430 174.723 176.300 -0.244 0.000 1.006 317 R CA -0.486 55.512 56.100 -0.170 0.000 0.880 317 R CB 0.896 31.041 30.300 -0.257 0.000 1.077 317 R HN 0.654 nan 8.270 nan 0.000 0.454 318 I N 2.607 123.025 120.570 -0.253 0.000 2.418 318 I HA 0.335 4.505 4.170 0.000 0.000 0.287 318 I C -0.544 175.469 176.117 -0.173 0.000 1.008 318 I CA -0.071 61.011 61.300 -0.365 0.000 1.104 318 I CB 2.093 39.664 38.000 -0.714 0.000 1.264 318 I HN 0.513 nan 8.210 nan 0.000 0.438 319 S N 6.371 121.982 115.700 -0.149 0.000 2.542 319 S HA 0.538 5.008 4.470 0.000 0.000 0.276 319 S C -2.703 171.836 174.600 -0.102 0.000 1.148 319 S CA -0.916 57.238 58.200 -0.076 0.000 0.886 319 S CB 2.061 65.261 63.200 0.000 0.000 1.109 319 S HN 0.383 nan 8.310 nan 0.000 0.458 320 P HA 0.212 nan 4.420 nan 0.000 0.235 320 P C -0.360 176.906 177.300 -0.057 0.000 1.725 320 P CA 0.041 63.085 63.100 -0.093 0.000 0.894 320 P CB -0.920 30.731 31.700 -0.083 0.000 1.704 321 T N -4.140 110.387 114.554 -0.044 0.000 2.889 321 T HA 0.343 4.693 4.350 0.000 0.000 0.315 321 T C -0.415 174.273 174.700 -0.021 0.000 1.291 321 T CA -0.731 61.356 62.100 -0.022 0.000 1.028 321 T CB 1.119 69.986 68.868 -0.002 0.000 1.235 321 T HN -0.217 nan 8.240 nan 0.000 0.491 322 V N 2.853 122.758 119.914 -0.015 0.000 2.637 322 V HA 0.212 4.333 4.120 0.000 0.000 0.296 322 V C 1.052 177.141 176.094 -0.009 0.000 1.046 322 V CA -0.549 61.740 62.300 -0.017 0.000 1.066 322 V CB 0.438 32.253 31.823 -0.013 0.000 0.968 322 V HN 1.006 nan 8.190 nan 0.000 0.483 323 N N 7.313 125.999 118.700 -0.023 0.000 2.386 323 N HA 0.006 4.747 4.740 0.000 0.000 0.273 323 N C -1.046 174.461 175.510 -0.006 0.000 1.331 323 N CA -1.154 51.887 53.050 -0.015 0.000 0.891 323 N CB 0.842 39.283 38.487 -0.078 0.000 1.139 323 N HN 0.434 nan 8.380 nan 0.000 0.487 324 P HA 0.062 nan 4.420 nan 0.000 0.245 324 P C 0.205 177.503 177.300 -0.003 0.000 1.206 324 P CA 0.613 63.721 63.100 0.014 0.000 0.781 324 P CB -0.038 31.684 31.700 0.036 0.000 0.994 325 I N -3.933 116.623 120.570 -0.023 0.000 2.944 325 I HA 0.411 4.581 4.170 0.000 0.000 0.334 325 I C -1.957 174.112 176.117 -0.081 0.000 1.420 325 I CA -2.472 58.779 61.300 -0.082 0.000 0.856 325 I CB 1.139 39.003 38.000 -0.227 0.000 2.091 325 I HN -0.343 nan 8.210 nan 0.000 0.571 326 P HA -0.202 nan 4.420 nan 0.000 0.221 326 P C 1.518 178.785 177.300 -0.055 0.000 1.145 326 P CA 1.182 64.244 63.100 -0.063 0.000 0.795 326 P CB 0.100 31.766 31.700 -0.057 0.000 0.775 327 R N 0.127 120.593 120.500 -0.058 0.000 2.127 327 R HA -0.074 4.266 4.340 0.000 0.000 0.238 327 R C 1.619 177.881 176.300 -0.064 0.000 1.134 327 R CA 1.383 57.451 56.100 -0.053 0.000 0.975 327 R CB -0.187 30.084 30.300 -0.047 0.000 0.865 327 R HN 0.076 nan 8.270 nan 0.000 0.447 328 V N -1.251 118.605 119.914 -0.098 0.000 3.048 328 V HA 0.071 4.191 4.120 0.000 0.000 0.241 328 V C -0.270 175.796 176.094 -0.046 0.000 1.129 328 V CA 0.281 62.503 62.300 -0.129 0.000 1.128 328 V CB 0.264 31.898 31.823 -0.314 0.000 0.849 328 V HN 0.180 nan 8.190 nan 0.000 0.475 329 Y N 2.053 122.242 120.300 -0.184 0.000 2.327 329 Y HA 0.570 5.120 4.550 0.000 0.000 0.325 329 Y C -0.182 175.665 175.900 -0.088 0.000 0.999 329 Y CA -1.935 56.086 58.100 -0.131 0.000 1.195 329 Y CB 0.981 39.355 38.460 -0.143 0.000 1.132 329 Y HN 0.048 nan 8.280 nan 0.000 0.455 330 R N 7.396 127.893 120.500 -0.006 0.000 2.396 330 R HA 0.324 4.664 4.340 0.000 0.000 0.292 330 R C -2.611 173.578 176.300 -0.186 0.000 1.240 330 R CA -1.721 54.293 56.100 -0.142 0.000 1.270 330 R CB 0.859 31.126 30.300 -0.056 0.000 1.108 330 R HN 0.450 nan 8.270 nan 0.000 0.573 331 P HA 0.005 nan 4.420 nan 0.000 0.268 331 P C -0.060 177.152 177.300 -0.147 0.000 1.205 331 P CA -0.127 62.767 63.100 -0.343 0.000 0.771 331 P CB 1.086 32.436 31.700 -0.582 0.000 0.858 332 D N 0.324 120.690 120.400 -0.057 0.000 2.178 332 D HA -0.032 4.608 4.640 0.000 0.000 0.201 332 D C 0.349 176.626 176.300 -0.039 0.000 0.980 332 D CA 1.416 55.398 54.000 -0.028 0.000 0.842 332 D CB 0.338 41.142 40.800 0.007 0.000 0.948 332 D HN 0.123 nan 8.370 nan 0.000 0.472 333 V N 0.994 120.872 119.914 -0.059 0.000 2.623 333 V HA 0.167 4.287 4.120 0.000 0.000 0.304 333 V C -0.935 175.095 176.094 -0.106 0.000 1.054 333 V CA -0.900 61.370 62.300 -0.050 0.000 0.882 333 V CB 2.655 34.479 31.823 0.001 0.000 1.002 333 V HN -0.162 nan 8.190 nan 0.000 0.424 334 D N 3.300 123.640 120.400 -0.100 0.000 2.440 334 D HA 0.465 5.105 4.640 0.000 0.000 0.239 334 D C -0.765 175.485 176.300 -0.083 0.000 1.084 334 D CA -0.117 53.804 54.000 -0.132 0.000 0.843 334 D CB 1.978 42.696 40.800 -0.137 0.000 1.097 334 D HN 0.276 nan 8.370 nan 0.000 0.531 335 V N 4.352 124.189 119.914 -0.128 0.000 2.288 335 V HA 0.238 4.358 4.120 0.000 0.000 0.266 335 V C 0.365 176.384 176.094 -0.126 0.000 1.048 335 V CA -0.840 61.410 62.300 -0.085 0.000 0.842 335 V CB 1.267 32.985 31.823 -0.175 0.000 1.064 335 V HN 0.303 nan 8.190 nan 0.000 0.472 336 V N 4.894 124.773 119.914 -0.058 0.000 2.339 336 V HA 0.616 4.736 4.120 0.000 0.000 0.261 336 V C 0.357 176.336 176.094 -0.192 0.000 1.058 336 V CA 0.451 62.692 62.300 -0.099 0.000 0.897 336 V CB 0.661 32.456 31.823 -0.046 0.000 1.052 336 V HN 1.003 nan 8.190 nan 0.000 0.480 337 T N 2.535 116.896 114.554 -0.322 0.000 2.677 337 T HA 0.224 4.574 4.350 0.000 0.000 0.305 337 T C -1.508 172.950 174.700 -0.403 0.000 1.569 337 T CA -0.662 61.098 62.100 -0.568 0.000 0.984 337 T CB 1.663 69.719 68.868 -1.354 0.000 1.629 337 T HN 0.711 nan 8.240 nan 0.000 0.494 338 D N 0.672 120.829 120.400 -0.404 0.000 2.424 338 D HA 0.261 4.901 4.640 0.000 0.000 0.244 338 D C 1.486 177.678 176.300 -0.180 0.000 1.134 338 D CA 0.079 53.942 54.000 -0.228 0.000 0.881 338 D CB 0.877 41.574 40.800 -0.173 0.000 1.191 338 D HN 0.243 nan 8.370 nan 0.000 0.445 339 V N 3.810 123.673 119.914 -0.086 0.000 2.295 339 V HA -0.191 3.929 4.120 0.000 0.000 0.246 339 V C 2.145 178.275 176.094 0.060 0.000 1.049 339 V CA 1.301 63.597 62.300 -0.006 0.000 1.024 339 V CB -0.693 31.129 31.823 -0.002 0.000 0.648 339 V HN 0.620 nan 8.190 nan 0.000 0.447 340 L N 1.044 122.277 121.223 0.016 0.000 2.012 340 L HA -0.112 4.228 4.340 0.000 0.000 0.210 340 L C 2.483 179.375 176.870 0.037 0.000 1.073 340 L CA 2.420 57.276 54.840 0.026 0.000 0.748 340 L CB -1.108 40.958 42.059 0.011 0.000 0.891 340 L HN 0.237 nan 8.230 nan 0.000 0.431 341 A N -0.945 121.876 122.820 0.002 0.000 1.940 341 A HA -0.295 4.025 4.320 0.000 0.000 0.219 341 A C 2.272 179.931 177.584 0.125 0.000 1.176 341 A CA 2.012 54.069 52.037 0.033 0.000 0.631 341 A CB -1.206 17.717 19.000 -0.129 0.000 0.814 341 A HN 0.603 nan 8.150 nan 0.000 0.446 342 F N 0.686 120.573 119.950 -0.106 0.000 2.113 342 F HA -0.111 4.416 4.527 0.000 0.000 0.297 342 F C 2.127 178.039 175.800 0.186 0.000 1.103 342 F CA 1.916 59.950 58.000 0.056 0.000 1.248 342 F CB -0.504 38.439 39.000 -0.096 0.000 0.999 342 F HN 0.003 nan 8.300 nan 0.000 0.475 343 V N 0.779 120.605 119.914 -0.146 0.000 2.407 343 V HA -0.271 3.849 4.120 0.000 0.000 0.248 343 V C 2.273 178.314 176.094 -0.089 0.000 1.055 343 V CA 2.295 64.464 62.300 -0.219 0.000 1.049 343 V CB -0.735 31.079 31.823 -0.016 0.000 0.662 343 V HN 0.387 nan 8.190 nan 0.000 0.455 344 E N -0.673 119.533 120.200 0.009 0.000 2.107 344 E HA -0.230 4.120 4.350 0.000 0.000 0.191 344 E C 2.131 178.767 176.600 0.059 0.000 0.982 344 E CA 1.363 57.786 56.400 0.039 0.000 0.809 344 E CB -0.178 29.564 29.700 0.071 0.000 0.756 344 E HN 0.783 nan 8.360 nan 0.000 0.459 345 H N -0.611 118.493 119.070 0.057 0.000 2.395 345 H HA -0.106 4.450 4.556 0.000 0.000 0.299 345 H C 1.736 177.047 175.328 -0.029 0.000 1.070 345 H CA 1.198 57.279 56.048 0.055 0.000 1.356 345 H CB 0.006 29.889 29.762 0.200 0.000 1.401 345 H HN 0.085 nan 8.280 nan 0.000 0.524 346 F N 1.294 121.134 119.950 -0.183 0.000 2.234 346 F HA -0.110 4.417 4.527 0.000 0.000 0.299 346 F C 2.198 177.817 175.800 -0.301 0.000 1.087 346 F CA 1.114 58.915 58.000 -0.331 0.000 1.340 346 F CB -0.005 38.552 39.000 -0.739 0.000 1.031 346 F HN 0.202 nan 8.300 nan 0.000 0.500 347 E N -0.315 119.801 120.200 -0.140 0.000 2.058 347 E HA -0.178 4.172 4.350 0.000 0.000 0.194 347 E C 2.231 178.667 176.600 -0.275 0.000 0.997 347 E CA 1.969 58.254 56.400 -0.191 0.000 0.801 347 E CB -0.815 28.824 29.700 -0.102 0.000 0.746 347 E HN 0.325 nan 8.360 nan 0.000 0.450 348 T N 1.279 115.680 114.554 -0.256 0.000 2.684 348 T HA -0.147 4.203 4.350 0.000 0.000 0.267 348 T C 1.916 176.406 174.700 -0.350 0.000 1.036 348 T CA 1.737 63.671 62.100 -0.278 0.000 1.148 348 T CB -0.254 68.439 68.868 -0.291 0.000 0.863 348 T HN 0.282 nan 8.240 nan 0.000 0.436 349 A N 1.364 123.923 122.820 -0.435 0.000 2.015 349 A HA -0.033 4.287 4.320 0.000 0.000 0.219 349 A C 2.340 179.521 177.584 -0.671 0.000 1.163 349 A CA 1.770 53.548 52.037 -0.431 0.000 0.646 349 A CB -0.673 18.126 19.000 -0.336 0.000 0.806 349 A HN 0.612 nan 8.150 nan 0.000 0.448 350 T N -4.196 109.794 114.554 -0.939 0.000 3.092 350 T HA 0.528 4.878 4.350 0.000 0.000 0.258 350 T C 1.509 175.755 174.700 -0.756 0.000 1.031 350 T CA 0.761 61.948 62.100 -1.522 0.000 0.925 350 T CB 0.246 68.197 68.868 -1.528 0.000 1.036 350 T HN 0.429 nan 8.240 nan 0.000 0.544 351 A N 2.521 125.086 122.820 -0.424 0.000 1.948 351 A HA -0.092 4.228 4.320 0.000 0.000 0.220 351 A C 2.505 180.028 177.584 -0.102 0.000 1.177 351 A CA 2.051 53.959 52.037 -0.215 0.000 0.636 351 A CB -0.919 17.985 19.000 -0.160 0.000 0.815 351 A HN 0.804 nan 8.150 nan 0.000 0.449 352 S N -1.982 113.697 115.700 -0.035 0.000 2.540 352 S HA 0.363 4.833 4.470 0.000 0.000 0.218 352 S C 0.044 174.767 174.600 0.204 0.000 0.977 352 S CA -0.670 57.573 58.200 0.071 0.000 0.918 352 S CB -0.291 62.950 63.200 0.068 0.000 0.806 352 S HN 0.101 nan 8.310 nan 0.000 0.496 353 F N 3.128 123.030 119.950 -0.080 0.000 2.506 353 F HA 0.580 5.107 4.527 0.000 0.000 0.351 353 F C 1.464 177.232 175.800 -0.053 0.000 1.136 353 F CA -1.072 56.885 58.000 -0.072 0.000 1.298 353 F CB -0.085 38.859 39.000 -0.093 0.000 1.145 353 F HN 0.206 nan 8.300 nan 0.000 0.593 354 G N 0.983 109.839 108.800 0.092 0.000 2.476 354 G HA2 0.487 4.447 3.960 0.000 0.000 0.269 354 G HA3 0.487 4.447 3.960 0.000 0.000 0.269 354 G C -0.545 174.383 174.900 0.048 0.000 1.195 354 G CA -0.426 44.699 45.100 0.041 0.000 0.843 354 G HN 0.903 nan 8.290 nan 0.000 0.545 355 A N 1.713 124.552 122.820 0.032 0.000 2.483 355 A HA 0.437 4.757 4.320 0.000 0.000 0.238 355 A C 0.710 178.298 177.584 0.007 0.000 1.070 355 A CA -0.006 52.047 52.037 0.027 0.000 0.770 355 A CB 0.322 19.333 19.000 0.019 0.000 1.008 355 A HN 0.542 nan 8.150 nan 0.000 0.497 356 K N 1.276 121.678 120.400 0.004 0.000 2.090 356 K HA 0.258 4.578 4.320 0.000 0.000 0.250 356 K C -0.287 176.290 176.600 -0.038 0.000 1.004 356 K CA -0.496 55.770 56.287 -0.035 0.000 0.919 356 K CB 0.507 32.985 32.500 -0.036 0.000 1.045 356 K HN 0.676 nan 8.250 nan 0.000 0.471 357 Q N 2.221 121.971 119.800 -0.083 0.000 2.337 357 Q HA 0.098 4.438 4.340 0.000 0.000 0.255 357 Q C 0.205 176.212 176.000 0.012 0.000 0.997 357 Q CA -0.095 55.688 55.803 -0.034 0.000 0.925 357 Q CB 0.726 29.448 28.738 -0.026 0.000 1.212 357 Q HN 0.456 nan 8.270 nan 0.000 0.436 358 R N 2.732 123.286 120.500 0.090 0.000 2.490 358 R HA 0.189 4.529 4.340 0.000 0.000 0.280 358 R C 0.300 176.774 176.300 0.290 0.000 1.077 358 R CA -0.514 55.677 56.100 0.153 0.000 1.065 358 R CB 0.511 30.839 30.300 0.047 0.000 1.003 358 R HN 0.582 nan 8.270 nan 0.000 0.470 359 H N 0.521 119.820 119.070 0.381 0.000 2.607 359 H HA 0.124 4.680 4.556 0.000 0.000 0.367 359 H C -1.100 174.352 175.328 0.207 0.000 1.181 359 H CA -0.572 55.617 56.048 0.234 0.000 1.402 359 H CB 0.959 30.747 29.762 0.044 0.000 1.474 359 H HN 0.748 nan 8.280 nan 0.000 0.596 360 D N 1.824 122.328 120.400 0.173 0.000 2.317 360 D HA 0.177 4.817 4.640 0.000 0.000 0.234 360 D C 0.784 177.106 176.300 0.037 0.000 1.112 360 D CA -0.648 53.385 54.000 0.055 0.000 0.840 360 D CB 0.087 40.919 40.800 0.052 0.000 1.078 360 D HN 0.630 nan 8.370 nan 0.000 0.486 361 I N 0.389 120.878 120.570 -0.135 0.000 3.936 361 I HA 0.356 4.526 4.170 0.000 0.000 0.330 361 I C 0.926 176.949 176.117 -0.158 0.000 1.509 361 I CA -0.495 60.713 61.300 -0.154 0.000 1.126 361 I CB 0.570 38.356 38.000 -0.356 0.000 1.115 361 I HN 0.105 nan 8.210 nan 0.000 0.424 362 E N 2.431 122.562 120.200 -0.115 0.000 2.130 362 E HA -0.129 4.221 4.350 0.000 0.000 0.196 362 E C -0.414 176.152 176.600 -0.056 0.000 0.998 362 E CA 1.571 57.917 56.400 -0.090 0.000 0.806 362 E CB -1.552 28.116 29.700 -0.053 0.000 0.738 362 E HN 0.488 nan 8.360 nan 0.000 0.459 363 P HA -0.137 nan 4.420 nan 0.000 0.218 363 P C 1.624 178.861 177.300 -0.106 0.000 1.148 363 P CA 0.783 63.923 63.100 0.066 0.000 0.822 363 P CB -0.005 31.848 31.700 0.255 0.000 0.784 364 L N -0.711 120.463 121.223 -0.081 0.000 2.095 364 L HA 0.030 4.370 4.340 0.000 0.000 0.204 364 L C 2.336 179.054 176.870 -0.252 0.000 1.080 364 L CA 1.637 56.337 54.840 -0.232 0.000 0.759 364 L CB -0.838 41.190 42.059 -0.051 0.000 0.914 364 L HN -0.257 nan 8.230 nan 0.000 0.439 365 R N -0.442 119.948 120.500 -0.183 0.000 2.083 365 R HA -0.132 4.208 4.340 0.000 0.000 0.237 365 R C 2.245 178.477 176.300 -0.114 0.000 1.137 365 R CA 1.404 57.417 56.100 -0.144 0.000 0.951 365 R CB -0.634 29.583 30.300 -0.139 0.000 0.851 365 R HN 0.532 nan 8.270 nan 0.000 0.434 366 A N 0.998 123.746 122.820 -0.119 0.000 1.908 366 A HA -0.231 4.089 4.320 0.000 0.000 0.218 366 A C 2.116 179.638 177.584 -0.103 0.000 1.181 366 A CA 1.655 53.639 52.037 -0.090 0.000 0.627 366 A CB -0.400 18.557 19.000 -0.072 0.000 0.818 366 A HN 0.125 nan 8.150 nan 0.000 0.445 367 R N 0.064 120.431 120.500 -0.222 0.000 2.066 367 R HA 0.015 4.355 4.340 0.000 0.000 0.232 367 R C 1.837 178.130 176.300 -0.011 0.000 1.131 367 R CA 1.782 57.748 56.100 -0.223 0.000 0.955 367 R CB -0.832 29.048 30.300 -0.700 0.000 0.851 367 R HN 0.539 nan 8.270 nan 0.000 0.432 368 I N 0.337 120.863 120.570 -0.073 0.000 2.163 368 I HA -0.297 3.873 4.170 0.000 0.000 0.243 368 I C 2.232 178.459 176.117 0.183 0.000 1.085 368 I CA 1.608 62.970 61.300 0.104 0.000 1.347 368 I CB -0.378 37.621 38.000 -0.003 0.000 1.044 368 I HN 0.319 nan 8.210 nan 0.000 0.408 369 A N -0.193 122.671 122.820 0.072 0.000 1.972 369 A HA -0.236 4.085 4.320 0.000 0.000 0.219 369 A C 2.219 179.830 177.584 0.045 0.000 1.169 369 A CA 1.638 53.708 52.037 0.056 0.000 0.635 369 A CB -0.552 18.458 19.000 0.017 0.000 0.810 369 A HN 0.439 nan 8.150 nan 0.000 0.446 370 E N -1.197 119.032 120.200 0.049 0.000 2.077 370 E HA -0.179 4.171 4.350 0.000 0.000 0.193 370 E C 1.595 178.166 176.600 -0.048 0.000 0.989 370 E CA 1.314 57.720 56.400 0.010 0.000 0.800 370 E CB -0.231 29.477 29.700 0.013 0.000 0.746 370 E HN 0.655 nan 8.360 nan 0.000 0.452 371 F N 0.599 120.423 119.950 -0.210 0.000 2.102 371 F HA -0.186 4.341 4.527 0.000 0.000 0.298 371 F C 2.125 177.689 175.800 -0.393 0.000 1.105 371 F CA 1.074 58.782 58.000 -0.486 0.000 1.239 371 F CB -0.365 38.300 39.000 -0.558 0.000 0.991 371 F HN 0.021 nan 8.300 nan 0.000 0.474 372 L N -0.920 120.251 121.223 -0.086 0.000 2.131 372 L HA -0.172 4.168 4.340 0.000 0.000 0.210 372 L C 2.257 179.124 176.870 -0.005 0.000 1.092 372 L CA 1.156 55.961 54.840 -0.058 0.000 0.759 372 L CB -0.760 41.303 42.059 0.007 0.000 0.903 372 L HN 0.131 nan 8.230 nan 0.000 0.435 373 A N -1.684 121.129 122.820 -0.012 0.000 2.308 373 A HA -0.017 4.303 4.320 0.000 0.000 0.217 373 A C 0.507 178.084 177.584 -0.013 0.000 1.216 373 A CA -0.291 51.743 52.037 -0.005 0.000 0.864 373 A CB -0.282 18.713 19.000 -0.007 0.000 0.902 373 A HN 0.231 nan 8.150 nan 0.000 0.499 374 D N 1.590 121.976 120.400 -0.023 0.000 2.536 374 D HA -0.014 4.626 4.640 0.000 0.000 0.260 374 D C -1.294 175.018 176.300 0.021 0.000 1.270 374 D CA -0.904 53.088 54.000 -0.013 0.000 0.934 374 D CB 0.950 41.767 40.800 0.028 0.000 1.129 374 D HN 0.242 nan 8.370 nan 0.000 0.533 375 P HA 0.023 nan 4.420 nan 0.000 0.257 375 P C 0.331 177.594 177.300 -0.062 0.000 1.241 375 P CA -0.043 63.039 63.100 -0.028 0.000 0.816 375 P CB 0.278 31.956 31.700 -0.037 0.000 1.150 376 E N 0.798 120.927 120.200 -0.118 0.000 2.442 376 E HA 0.063 4.413 4.350 0.000 0.000 0.262 376 E C -0.527 175.940 176.600 -0.222 0.000 1.004 376 E CA 0.363 56.607 56.400 -0.260 0.000 0.928 376 E CB 0.247 29.625 29.700 -0.537 0.000 0.937 376 E HN -0.064 nan 8.360 nan 0.000 0.446 377 T N 4.586 119.018 114.554 -0.203 0.000 2.753 377 T HA 0.211 4.561 4.350 0.000 0.000 0.297 377 T C -0.978 173.639 174.700 -0.140 0.000 0.981 377 T CA -0.290 61.754 62.100 -0.093 0.000 0.956 377 T CB -0.037 68.800 68.868 -0.051 0.000 0.936 377 T HN 0.265 nan 8.240 nan 0.000 0.463 378 Y N 1.342 121.617 120.300 -0.042 0.000 2.301 378 Y HA 0.394 4.944 4.550 0.000 0.000 0.328 378 Y C 1.941 177.817 175.900 -0.040 0.000 1.242 378 Y CA -0.231 57.846 58.100 -0.040 0.000 1.323 378 Y CB 0.414 38.845 38.460 -0.049 0.000 1.266 378 Y HN 0.795 nan 8.280 nan 0.000 0.527 379 E N 1.152 121.423 120.200 0.120 0.000 2.072 379 E HA -0.148 4.202 4.350 0.000 0.000 0.191 379 E C 0.773 177.398 176.600 0.041 0.000 0.985 379 E CA 1.893 58.323 56.400 0.051 0.000 0.801 379 E CB -0.733 28.989 29.700 0.035 0.000 0.750 379 E HN 0.783 nan 8.360 nan 0.000 0.452 380 D N -0.625 119.805 120.400 0.049 0.000 2.279 380 D HA 0.382 5.022 4.640 0.000 0.000 0.285 380 D C 1.318 177.609 176.300 -0.016 0.000 1.167 380 D CA 0.379 54.380 54.000 0.002 0.000 1.064 380 D CB -0.998 39.789 40.800 -0.023 0.000 1.108 380 D HN 0.350 nan 8.370 nan 0.000 0.428 384 V N 1.846 121.380 119.914 -0.632 0.000 2.490 384 V HA -0.251 3.869 4.120 0.000 0.000 0.250 384 V C 2.054 178.006 176.094 -0.236 0.000 1.061 384 V CA 2.580 64.604 62.300 -0.460 0.000 1.064 384 V CB -0.755 30.683 31.823 -0.642 0.000 0.670 384 V HN 0.800 nan 8.190 nan 0.000 0.461 385 H N 0.210 119.275 119.070 -0.009 0.000 2.421 385 H HA -0.149 4.407 4.556 0.000 0.000 0.298 385 H C 2.083 177.325 175.328 -0.143 0.000 1.087 385 H CA 1.551 57.506 56.048 -0.155 0.000 1.330 385 H CB -0.700 28.850 29.762 -0.353 0.000 1.388 385 H HN 0.454 nan 8.280 nan 0.000 0.526 386 Q N 0.645 120.409 119.800 -0.060 0.000 2.119 386 Q HA -0.056 4.284 4.340 0.000 0.000 0.201 386 Q C 2.470 178.454 176.000 -0.027 0.000 0.972 386 Q CA 1.366 57.168 55.803 -0.001 0.000 0.847 386 Q CB 0.030 28.762 28.738 -0.010 0.000 0.903 386 Q HN 0.389 nan 8.270 nan 0.000 0.433 387 V N 1.083 120.952 119.914 -0.074 0.000 2.295 387 V HA -0.258 3.862 4.120 0.000 0.000 0.246 387 V C 2.097 178.199 176.094 0.013 0.000 1.049 387 V CA 1.645 63.912 62.300 -0.054 0.000 1.024 387 V CB -0.381 31.381 31.823 -0.102 0.000 0.648 387 V HN 0.348 nan 8.190 nan 0.000 0.447 388 I N 0.190 120.793 120.570 0.054 0.000 2.353 388 I HA -0.199 3.971 4.170 0.000 0.000 0.248 388 I C 2.296 178.483 176.117 0.118 0.000 1.119 388 I CA 1.731 63.109 61.300 0.130 0.000 1.417 388 I CB -0.377 37.754 38.000 0.217 0.000 1.078 388 I HN 0.382 nan 8.210 nan 0.000 0.421 389 D N 0.720 121.163 120.400 0.072 0.000 2.123 389 D HA -0.111 4.529 4.640 0.000 0.000 0.196 389 D C 1.330 177.675 176.300 0.074 0.000 0.992 389 D CA 0.907 54.947 54.000 0.067 0.000 0.833 389 D CB 0.144 40.967 40.800 0.039 0.000 0.954 389 D HN 0.175 nan 8.370 nan 0.000 0.455 393 T N 2.341 116.968 114.554 0.120 0.000 2.708 393 T HA 0.031 4.381 4.350 0.000 0.000 0.266 393 T C 1.279 176.047 174.700 0.115 0.000 1.037 393 T CA 1.157 63.315 62.100 0.096 0.000 1.146 393 T CB -0.000 68.913 68.868 0.076 0.000 0.865 393 T HN -0.044 nan 8.240 nan 0.000 0.435 397 E N 0.788 121.013 120.200 0.040 0.000 2.072 397 E HA -0.045 4.305 4.350 0.000 0.000 0.191 397 E C 1.860 178.478 176.600 0.031 0.000 0.985 397 E CA 1.217 57.640 56.400 0.039 0.000 0.801 397 E CB 0.052 29.784 29.700 0.053 0.000 0.750 397 E HN 0.297 nan 8.360 nan 0.000 0.452 398 A N 1.066 123.906 122.820 0.034 0.000 2.016 398 A HA 0.245 4.565 4.320 0.000 0.000 0.217 398 A C 1.240 178.818 177.584 -0.010 0.000 1.162 398 A CA 0.692 52.744 52.037 0.026 0.000 0.662 398 A CB 0.079 19.116 19.000 0.061 0.000 0.812 398 A HN 0.205 nan 8.150 nan 0.000 0.450 399 A N 0.577 123.377 122.820 -0.033 0.000 2.312 399 A HA 0.560 4.880 4.320 0.000 0.000 0.326 399 A C -0.184 177.390 177.584 -0.017 0.000 1.172 399 A CA -0.655 51.357 52.037 -0.042 0.000 0.821 399 A CB 0.396 19.351 19.000 -0.075 0.000 1.166 399 A HN 0.270 nan 8.150 nan 0.000 0.493 400 E N 1.854 122.047 120.200 -0.011 0.000 2.436 400 E HA 0.139 4.489 4.350 0.000 0.000 0.262 400 E C -2.212 174.387 176.600 -0.001 0.000 1.063 400 E CA -1.302 55.097 56.400 -0.002 0.000 0.944 400 E CB -0.224 29.476 29.700 0.000 0.000 0.950 400 E HN 0.392 nan 8.360 nan 0.000 0.444 401 P HA 0.031 nan 4.420 nan 0.000 0.268 401 P C 0.602 177.906 177.300 0.007 0.000 1.204 401 P CA 0.548 63.652 63.100 0.008 0.000 0.768 401 P CB 0.380 32.087 31.700 0.011 0.000 0.842 402 G N 1.324 110.130 108.800 0.009 0.000 2.148 402 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 402 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 402 G C -0.044 174.861 174.900 0.008 0.000 0.981 402 G CA 0.049 45.154 45.100 0.008 0.000 0.670 402 G HN 0.602 nan 8.290 nan 0.000 0.528 403 E N -1.146 119.055 120.200 0.002 0.000 2.404 403 E HA 0.646 4.996 4.350 0.000 0.000 0.264 403 E C 0.421 177.009 176.600 -0.019 0.000 0.946 403 E CA -0.518 55.881 56.400 -0.003 0.000 0.806 403 E CB 1.933 31.629 29.700 -0.006 0.000 1.334 403 E HN 1.550 nan 8.360 nan 0.000 0.429 404 G N 0.222 109.002 108.800 -0.032 0.000 2.705 404 G HA2 -0.116 3.844 3.960 0.000 0.000 0.686 404 G HA3 -0.116 3.844 3.960 0.000 0.000 0.686 404 G C -0.801 174.079 174.900 -0.033 0.000 1.285 404 G CA -0.553 44.502 45.100 -0.075 0.000 0.800 404 G HN 0.388 nan 8.290 nan 0.000 0.611 405 T N 1.248 115.770 114.554 -0.053 0.000 2.928 405 T HA 0.626 4.976 4.350 0.000 0.000 0.296 405 T C 0.175 174.885 174.700 0.016 0.000 1.000 405 T CA -0.439 61.669 62.100 0.012 0.000 0.989 405 T CB 1.470 70.351 68.868 0.020 0.000 1.005 405 T HN 0.669 nan 8.240 nan 0.000 0.442 406 I N 2.987 123.618 120.570 0.102 0.000 2.339 406 I HA 0.468 4.638 4.170 0.000 0.000 0.290 406 I C -0.362 175.791 176.117 0.059 0.000 0.994 406 I CA -0.949 60.456 61.300 0.175 0.000 1.191 406 I CB 1.562 39.758 38.000 0.328 0.000 1.343 406 I HN 0.286 nan 8.210 nan 0.000 0.458 407 V N 4.859 124.797 119.914 0.041 0.000 2.547 407 V HA 0.452 4.572 4.120 0.000 0.000 0.299 407 V C 0.013 176.113 176.094 0.012 0.000 1.040 407 V CA -0.458 61.810 62.300 -0.054 0.000 0.913 407 V CB 1.774 33.594 31.823 -0.005 0.000 0.992 407 V HN 0.754 nan 8.190 nan 0.000 0.449 408 S N 2.517 118.187 115.700 -0.051 0.000 2.561 408 S HA 0.345 4.815 4.470 0.000 0.000 0.303 408 S C -0.442 174.309 174.600 0.252 0.000 1.110 408 S CA -0.696 57.600 58.200 0.160 0.000 1.034 408 S CB 1.286 64.578 63.200 0.152 0.000 1.010 408 S HN 0.887 nan 8.310 nan 0.000 0.482 409 D N 2.203 122.851 120.400 0.413 0.000 2.274 409 D HA 0.180 4.820 4.640 0.000 0.000 0.256 409 D C -0.014 176.454 176.300 0.281 0.000 1.274 409 D CA 0.064 54.336 54.000 0.453 0.000 0.998 409 D CB 0.423 41.527 40.800 0.507 0.000 1.139 409 D HN 0.443 nan 8.370 nan 0.000 0.540 410 I N -0.610 120.118 120.570 0.263 0.000 2.493 410 I HA 0.597 4.767 4.170 0.000 0.000 0.298 410 I C 0.981 177.121 176.117 0.039 0.000 0.998 410 I CA -0.297 61.006 61.300 0.005 0.000 1.137 410 I CB 0.541 38.598 38.000 0.094 0.000 1.310 410 I HN 0.602 nan 8.210 nan 0.000 0.445 411 G N 3.740 112.395 108.800 -0.241 0.000 2.359 411 G HA2 0.053 4.013 3.960 0.000 0.000 0.293 411 G HA3 0.053 4.013 3.960 0.000 0.000 0.293 411 G C -0.342 174.421 174.900 -0.227 0.000 1.300 411 G CA -0.664 44.400 45.100 -0.062 0.000 0.888 411 G HN 0.314 nan 8.290 nan 0.000 0.541 412 F N 0.936 120.793 119.950 -0.156 0.000 2.134 412 F HA 0.037 4.564 4.527 0.000 0.000 0.299 412 F C 2.636 178.411 175.800 -0.042 0.000 1.097 412 F CA 2.294 60.179 58.000 -0.192 0.000 1.264 412 F CB -0.656 38.113 39.000 -0.384 0.000 1.001 412 F HN 0.473 nan 8.300 nan 0.000 0.479 413 F N 0.294 120.301 119.950 0.096 0.000 2.250 413 F HA -0.100 4.428 4.527 0.000 0.000 0.301 413 F C 2.330 178.193 175.800 0.104 0.000 1.077 413 F CA 1.436 59.488 58.000 0.087 0.000 1.348 413 F CB -1.308 37.755 39.000 0.105 0.000 1.040 413 F HN -0.099 nan 8.300 nan 0.000 0.509 414 R N 0.714 120.509 120.500 -1.174 0.000 2.105 414 R HA -0.188 4.152 4.340 0.000 0.000 0.239 414 R C 2.038 178.036 176.300 -0.505 0.000 1.135 414 R CA 2.050 57.670 56.100 -0.800 0.000 0.967 414 R CB -1.008 28.723 30.300 -0.948 0.000 0.861 414 R HN 0.464 nan 8.270 nan 0.000 0.442 415 H N -1.012 117.861 119.070 -0.328 0.000 2.495 415 H HA -0.093 4.463 4.556 0.000 0.000 0.287 415 H C 1.665 176.843 175.328 -0.250 0.000 1.033 415 H CA 1.091 56.938 56.048 -0.335 0.000 1.307 415 H CB -0.182 29.333 29.762 -0.412 0.000 1.401 415 H HN 0.266 nan 8.280 nan 0.000 0.555 416 Y N 0.708 120.942 120.300 -0.111 0.000 2.242 416 Y HA -0.084 4.466 4.550 0.000 0.000 0.291 416 Y C 2.851 178.806 175.900 0.092 0.000 1.137 416 Y CA 0.970 59.134 58.100 0.106 0.000 1.181 416 Y CB -0.676 37.967 38.460 0.305 0.000 0.989 416 Y HN 0.197 nan 8.280 nan 0.000 0.527 417 G N -0.281 108.646 108.800 0.212 0.000 2.476 417 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 417 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 417 G C 1.826 176.445 174.900 -0.468 0.000 1.164 417 G CA 1.577 46.730 45.100 0.088 0.000 0.768 417 G HN 0.291 nan 8.290 nan 0.000 0.560 418 V N 0.786 120.441 119.914 -0.431 0.000 2.295 418 V HA -0.117 4.003 4.120 0.000 0.000 0.246 418 V C 2.907 178.730 176.094 -0.451 0.000 1.049 418 V CA 1.596 63.580 62.300 -0.526 0.000 1.024 418 V CB -0.386 31.213 31.823 -0.374 0.000 0.648 418 V HN 0.347 nan 8.190 nan 0.000 0.447 419 L N -1.825 119.099 121.223 -0.498 0.000 2.156 419 L HA -0.048 4.292 4.340 0.000 0.000 0.208 419 L C 2.093 178.600 176.870 -0.606 0.000 1.095 419 L CA 1.453 55.876 54.840 -0.695 0.000 0.770 419 L CB -0.282 41.002 42.059 -1.291 0.000 0.914 419 L HN 0.296 nan 8.230 nan 0.000 0.439 420 F N -0.758 119.115 119.950 -0.127 0.000 2.680 420 F HA 0.347 4.875 4.527 0.000 0.000 0.290 420 F C 1.367 177.138 175.800 -0.049 0.000 1.114 420 F CA -0.718 57.255 58.000 -0.045 0.000 1.333 420 F CB -0.411 38.628 39.000 0.065 0.000 1.091 420 F HN -0.215 nan 8.300 nan 0.000 0.606 421 A N 1.917 124.742 122.820 0.008 0.000 2.440 421 A HA 0.378 4.699 4.320 0.000 0.000 0.251 421 A C 0.637 178.224 177.584 0.005 0.000 1.089 421 A CA -0.427 51.625 52.037 0.024 0.000 0.779 421 A CB 0.076 19.070 19.000 -0.010 0.000 1.022 421 A HN 0.337 nan 8.150 nan 0.000 0.492 422 R N 1.728 122.284 120.500 0.094 0.000 2.438 422 R HA 0.524 4.865 4.340 0.000 0.000 0.287 422 R C -0.555 175.807 176.300 0.104 0.000 1.077 422 R CA 0.391 56.539 56.100 0.081 0.000 1.034 422 R CB 0.596 30.947 30.300 0.085 0.000 0.993 422 R HN 0.846 nan 8.270 nan 0.000 0.459 423 A N 3.660 126.532 122.820 0.085 0.000 2.446 423 A HA 0.208 4.528 4.320 0.000 0.000 0.282 423 A C -0.937 176.688 177.584 0.068 0.000 1.102 423 A CA -0.751 51.351 52.037 0.109 0.000 0.737 423 A CB 1.574 20.665 19.000 0.151 0.000 1.212 423 A HN 0.871 nan 8.150 nan 0.000 0.434 424 D N 1.396 121.828 120.400 0.054 0.000 2.363 424 D HA 0.156 4.796 4.640 0.000 0.000 0.214 424 D C 0.517 176.830 176.300 0.022 0.000 1.093 424 D CA 0.777 54.797 54.000 0.033 0.000 0.837 424 D CB 0.283 41.099 40.800 0.026 0.000 0.948 424 D HN 0.755 nan 8.370 nan 0.000 0.507 425 Q N -1.498 118.319 119.800 0.028 0.000 2.590 425 Q HA 0.548 4.888 4.340 0.000 0.000 0.295 425 Q C -2.980 173.018 176.000 -0.005 0.000 0.973 425 Q CA -2.212 53.595 55.803 0.007 0.000 0.768 425 Q CB 1.311 30.060 28.738 0.018 0.000 1.479 425 Q HN -0.249 nan 8.270 nan 0.000 0.419 426 P HA 0.070 nan 4.420 nan 0.000 0.268 426 P C -0.837 176.387 177.300 -0.126 0.000 1.204 426 P CA 0.297 63.264 63.100 -0.221 0.000 0.768 426 P CB -0.068 31.411 31.700 -0.369 0.000 0.842 427 F N 1.006 121.000 119.950 0.073 0.000 3.093 427 F HA -0.176 4.351 4.527 0.000 0.000 0.287 427 F C 1.610 177.453 175.800 0.072 0.000 0.882 427 F CA 1.153 59.196 58.000 0.072 0.000 1.063 427 F CB -2.609 36.417 39.000 0.043 0.000 1.097 427 F HN 0.491 nan 8.300 nan 0.000 0.604 428 G N -1.308 107.630 108.800 0.230 0.000 2.551 428 G HA2 0.080 4.040 3.960 0.000 0.000 0.216 428 G HA3 0.080 4.040 3.960 0.000 0.000 0.216 428 G C 0.146 175.196 174.900 0.250 0.000 1.137 428 G CA 0.426 45.635 45.100 0.182 0.000 0.798 428 G HN 0.335 nan 8.290 nan 0.000 0.536 429 F N 1.269 121.302 119.950 0.139 0.000 2.427 429 F HA 0.664 5.191 4.527 0.000 0.000 0.348 429 F C -0.856 175.052 175.800 0.180 0.000 1.125 429 F CA -1.476 56.609 58.000 0.142 0.000 0.989 429 F CB 1.173 40.248 39.000 0.124 0.000 1.165 429 F HN -0.252 nan 8.300 nan 0.000 0.442 430 L N 6.019 126.993 121.223 -0.414 0.000 2.341 430 L HA 0.665 5.005 4.340 0.000 0.000 0.278 430 L C -0.111 176.525 176.870 -0.391 0.000 1.005 430 L CA -0.504 54.192 54.840 -0.239 0.000 0.818 430 L CB 2.091 44.107 42.059 -0.071 0.000 1.259 430 L HN 0.677 nan 8.230 nan 0.000 0.418 431 T N 0.409 114.843 114.554 -0.201 0.000 2.792 431 T HA 0.263 4.613 4.350 0.000 0.000 0.303 431 T C -1.160 173.367 174.700 -0.287 0.000 1.310 431 T CA -0.383 61.617 62.100 -0.166 0.000 1.007 431 T CB 2.068 70.805 68.868 -0.219 0.000 1.335 431 T HN 0.417 nan 8.240 nan 0.000 0.504 432 S N 1.288 116.531 115.700 -0.762 0.000 2.399 432 S HA 0.572 5.042 4.470 0.000 0.000 0.301 432 S C 1.068 175.533 174.600 -0.224 0.000 1.093 432 S CA 0.006 57.799 58.200 -0.678 0.000 1.077 432 S CB 0.026 62.562 63.200 -1.106 0.000 0.980 432 S HN 0.811 nan 8.310 nan 0.000 0.494 433 A N 4.562 127.336 122.820 -0.078 0.000 1.984 433 A HA 0.301 4.621 4.320 0.000 0.000 0.214 433 A C 1.917 179.458 177.584 -0.071 0.000 1.173 433 A CA 0.973 53.009 52.037 -0.001 0.000 0.673 433 A CB -0.825 18.120 19.000 -0.091 0.000 0.830 433 A HN 0.844 nan 8.150 nan 0.000 0.453 434 G N -1.486 107.260 108.800 -0.089 0.000 2.408 434 G HA2 -0.107 3.853 3.960 0.000 0.000 0.213 434 G HA3 -0.107 3.853 3.960 0.000 0.000 0.213 434 G C 1.650 176.510 174.900 -0.067 0.000 1.177 434 G CA 1.204 46.253 45.100 -0.086 0.000 0.802 434 G HN 0.528 nan 8.290 nan 0.000 0.533 435 C N -0.059 119.205 119.300 -0.060 0.000 2.513 435 C HA 0.388 4.848 4.460 0.000 0.000 0.292 435 C C 1.654 176.620 174.990 -0.040 0.000 1.359 435 C CA 1.165 60.162 59.018 -0.035 0.000 1.778 435 C CB -0.521 27.222 27.740 0.006 0.000 2.180 435 C HN 0.473 nan 8.230 nan 0.000 0.509 436 S N 1.597 117.252 115.700 -0.074 0.000 3.628 436 S HA -0.166 4.304 4.470 0.000 0.000 0.373 436 S C 0.099 174.696 174.600 -0.005 0.000 0.968 436 S CA 0.709 58.868 58.200 -0.068 0.000 1.215 436 S CB -1.841 61.342 63.200 -0.029 0.000 0.912 436 S HN 0.887 nan 8.310 nan 0.000 0.495 437 S N 2.105 117.847 115.700 0.070 0.000 2.531 437 S HA 0.503 4.973 4.470 0.000 0.000 0.279 437 S C 0.654 175.434 174.600 0.301 0.000 1.305 437 S CA -0.784 57.491 58.200 0.125 0.000 1.058 437 S CB -0.023 63.278 63.200 0.168 0.000 0.899 437 S HN 0.520 nan 8.310 nan 0.000 0.493 438 F N 3.404 123.388 119.950 0.057 0.000 2.490 438 F HA 0.540 5.067 4.527 0.000 0.000 0.336 438 F C 1.317 177.196 175.800 0.132 0.000 1.178 438 F CA -0.967 57.105 58.000 0.120 0.000 1.301 438 F CB -1.194 37.873 39.000 0.112 0.000 1.175 438 F HN 0.844 nan 8.300 nan 0.000 0.593 439 G N 1.527 110.494 108.800 0.279 0.000 2.199 439 G HA2 -0.407 3.553 3.960 0.000 0.000 0.254 439 G HA3 -0.407 3.553 3.960 0.000 0.000 0.254 439 G C 0.752 175.930 174.900 0.462 0.000 0.982 439 G CA 0.440 45.669 45.100 0.215 0.000 0.632 439 G HN 1.038 nan 8.290 nan 0.000 0.529 440 Y N 1.699 122.228 120.300 0.381 0.000 2.256 440 Y HA 0.054 4.604 4.550 0.000 0.000 0.288 440 Y C 2.498 178.440 175.900 0.071 0.000 1.155 440 Y CA 2.555 60.794 58.100 0.232 0.000 1.203 440 Y CB -0.467 38.113 38.460 0.200 0.000 0.980 440 Y HN 0.248 nan 8.280 nan 0.000 0.530 441 G N 0.651 109.542 108.800 0.153 0.000 2.459 441 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 441 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 441 G C 1.743 176.606 174.900 -0.061 0.000 1.183 441 G CA 1.367 46.508 45.100 0.069 0.000 0.776 441 G HN 0.482 nan 8.290 nan 0.000 0.552 442 I N 1.859 122.410 120.570 -0.031 0.000 2.099 442 I HA -0.128 4.042 4.170 0.000 0.000 0.239 442 I C 0.069 176.088 176.117 -0.163 0.000 1.066 442 I CA 1.366 62.632 61.300 -0.058 0.000 1.324 442 I CB -0.925 37.036 38.000 -0.065 0.000 1.037 442 I HN 0.186 nan 8.210 nan 0.000 0.401 443 P HA -0.171 nan 4.420 nan 0.000 0.216 443 P C 1.357 178.397 177.300 -0.434 0.000 1.150 443 P CA 1.994 64.875 63.100 -0.365 0.000 0.837 443 P CB -0.080 31.319 31.700 -0.503 0.000 0.786 444 A N 0.466 122.944 122.820 -0.569 0.000 1.898 444 A HA -0.025 4.295 4.320 0.000 0.000 0.216 444 A C 2.458 179.865 177.584 -0.294 0.000 1.181 444 A CA 2.053 53.745 52.037 -0.576 0.000 0.620 444 A CB -1.494 16.949 19.000 -0.927 0.000 0.819 444 A HN 0.221 nan 8.150 nan 0.000 0.442 445 A N -0.230 122.472 122.820 -0.196 0.000 1.969 445 A HA -0.014 4.306 4.320 0.000 0.000 0.218 445 A C 2.088 179.629 177.584 -0.072 0.000 1.169 445 A CA 1.344 53.331 52.037 -0.085 0.000 0.635 445 A CB -0.539 18.450 19.000 -0.019 0.000 0.810 445 A HN 0.489 nan 8.150 nan 0.000 0.445 446 I N -0.354 120.154 120.570 -0.103 0.000 2.142 446 I HA -0.211 3.959 4.170 0.000 0.000 0.240 446 I C 2.745 178.815 176.117 -0.078 0.000 1.078 446 I CA 1.263 62.522 61.300 -0.069 0.000 1.343 446 I CB -0.613 37.339 38.000 -0.080 0.000 1.046 446 I HN 0.391 nan 8.210 nan 0.000 0.405 447 G N 0.283 108.975 108.800 -0.180 0.000 2.440 447 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 447 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 447 G C 1.834 176.677 174.900 -0.096 0.000 1.154 447 G CA 0.862 45.853 45.100 -0.180 0.000 0.767 447 G HN 0.502 nan 8.290 nan 0.000 0.552 448 A N -0.143 122.618 122.820 -0.098 0.000 1.902 448 A HA 0.083 4.403 4.320 0.000 0.000 0.217 448 A C 1.763 179.338 177.584 -0.015 0.000 1.181 448 A CA 1.804 53.810 52.037 -0.052 0.000 0.623 448 A CB -0.373 18.599 19.000 -0.047 0.000 0.818 448 A HN 0.462 nan 8.150 nan 0.000 0.443 452 R N 0.779 121.293 120.500 0.023 0.000 2.748 452 R HA 0.299 4.639 4.340 0.000 0.000 0.283 452 R C -2.237 174.074 176.300 0.019 0.000 1.507 452 R CA -1.455 54.658 56.100 0.022 0.000 1.666 452 R CB 1.296 31.609 30.300 0.022 0.000 1.237 452 R HN 0.244 nan 8.270 nan 0.000 0.633 453 P HA -0.113 nan 4.420 nan 0.000 0.222 453 P C -0.108 177.203 177.300 0.018 0.000 1.147 453 P CA 1.151 64.263 63.100 0.019 0.000 0.790 453 P CB 0.400 32.111 31.700 0.018 0.000 0.780 454 D N -0.821 119.587 120.400 0.015 0.000 2.424 454 D HA 0.112 4.752 4.640 0.000 0.000 0.220 454 D C 0.535 176.840 176.300 0.008 0.000 1.150 454 D CA 0.217 54.224 54.000 0.012 0.000 0.831 454 D CB 0.422 41.229 40.800 0.011 0.000 0.981 454 D HN 0.351 nan 8.370 nan 0.000 0.500 455 Q N 0.780 120.583 119.800 0.005 0.000 2.345 455 Q HA 0.430 4.770 4.340 0.000 0.000 0.268 455 Q C -2.621 173.369 176.000 -0.017 0.000 1.054 455 Q CA -2.050 53.747 55.803 -0.010 0.000 0.835 455 Q CB 2.282 31.014 28.738 -0.011 0.000 1.339 455 Q HN -0.133 nan 8.270 nan 0.000 0.447 456 P HA 0.064 nan 4.420 nan 0.000 0.271 456 P C -1.065 176.164 177.300 -0.118 0.000 1.216 456 P CA -0.018 63.033 63.100 -0.080 0.000 0.776 456 P CB 0.643 32.218 31.700 -0.207 0.000 0.881 457 T N 3.618 118.176 114.554 0.005 0.000 2.906 457 T HA 0.505 4.855 4.350 0.000 0.000 0.302 457 T C -0.754 174.130 174.700 0.307 0.000 1.002 457 T CA -0.211 61.928 62.100 0.065 0.000 0.988 457 T CB 0.059 68.971 68.868 0.073 0.000 0.972 457 T HN 0.043 nan 8.240 nan 0.000 0.447 458 F N 2.689 122.670 119.950 0.051 0.000 2.458 458 F HA 0.762 5.289 4.527 0.000 0.000 0.330 458 F C -0.100 175.728 175.800 0.046 0.000 1.082 458 F CA -2.159 55.872 58.000 0.052 0.000 0.995 458 F CB 1.555 40.596 39.000 0.067 0.000 1.170 458 F HN 0.324 nan 8.300 nan 0.000 0.478 459 L N 4.543 125.891 121.223 0.207 0.000 2.386 459 L HA 0.692 5.032 4.340 0.000 0.000 0.271 459 L C -1.461 175.447 176.870 0.062 0.000 0.993 459 L CA -0.540 54.374 54.840 0.123 0.000 0.819 459 L CB 1.798 43.909 42.059 0.086 0.000 1.294 459 L HN 0.583 nan 8.230 nan 0.000 0.414 460 I N 4.503 125.131 120.570 0.097 0.000 2.436 460 I HA 0.868 5.038 4.170 0.000 0.000 0.289 460 I C -0.996 175.117 176.117 -0.006 0.000 1.010 460 I CA -0.267 61.037 61.300 0.007 0.000 1.098 460 I CB 1.486 39.549 38.000 0.105 0.000 1.266 460 I HN 0.913 nan 8.210 nan 0.000 0.434 461 A N 4.888 127.513 122.820 -0.325 0.000 2.539 461 A HA 0.829 5.149 4.320 0.000 0.000 0.296 461 A C -0.474 176.594 177.584 -0.860 0.000 1.073 461 A CA -0.425 51.377 52.037 -0.391 0.000 0.700 461 A CB 1.416 20.433 19.000 0.029 0.000 1.296 461 A HN 0.804 nan 8.150 nan 0.000 0.405 462 G N -0.166 108.131 108.800 -0.837 0.000 2.504 462 G HA2 0.424 4.384 3.960 0.000 0.000 0.288 462 G HA3 0.424 4.384 3.960 0.000 0.000 0.288 462 G C 0.500 175.301 174.900 -0.166 0.000 1.182 462 G CA 0.343 45.181 45.100 -0.437 0.000 0.894 462 G HN 0.818 nan 8.290 nan 0.000 0.521 463 D N 0.399 120.722 120.400 -0.129 0.000 2.123 463 D HA -0.138 4.502 4.640 0.000 0.000 0.196 463 D C 2.142 178.514 176.300 0.121 0.000 0.992 463 D CA 1.470 55.426 54.000 -0.074 0.000 0.833 463 D CB -0.788 40.102 40.800 0.150 0.000 0.954 463 D HN 0.470 nan 8.370 nan 0.000 0.455 464 G N 0.886 109.837 108.800 0.251 0.000 2.453 464 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 464 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 464 G C 1.805 176.758 174.900 0.089 0.000 1.201 464 G CA 1.302 46.586 45.100 0.307 0.000 0.784 464 G HN 0.487 nan 8.290 nan 0.000 0.545 465 G N -0.038 108.871 108.800 0.181 0.000 2.403 465 G HA2 -0.109 3.851 3.960 0.000 0.000 0.216 465 G HA3 -0.109 3.851 3.960 0.000 0.000 0.216 465 G C 1.644 176.497 174.900 -0.079 0.000 1.154 465 G CA 0.806 45.916 45.100 0.016 0.000 0.784 465 G HN 0.328 nan 8.290 nan 0.000 0.538 466 F N 0.891 120.782 119.950 -0.098 0.000 2.134 466 F HA -0.065 4.462 4.527 0.000 0.000 0.299 466 F C 2.403 178.184 175.800 -0.031 0.000 1.097 466 F CA 1.803 59.732 58.000 -0.118 0.000 1.264 466 F CB -0.183 38.643 39.000 -0.291 0.000 1.001 466 F HN 0.248 nan 8.300 nan 0.000 0.479 467 H N -0.307 118.714 119.070 -0.081 0.000 2.524 467 H HA 0.005 4.561 4.556 0.000 0.000 0.282 467 H C 2.427 177.566 175.328 -0.316 0.000 1.016 467 H CA 0.977 56.959 56.048 -0.111 0.000 1.270 467 H CB -0.389 29.392 29.762 0.031 0.000 1.394 467 H HN 0.345 nan 8.280 nan 0.000 0.568 468 S N -0.965 114.463 115.700 -0.452 0.000 2.442 468 S HA -0.124 4.346 4.470 0.000 0.000 0.236 468 S C 1.407 175.718 174.600 -0.482 0.000 1.007 468 S CA 1.383 59.196 58.200 -0.646 0.000 0.965 468 S CB -0.002 62.358 63.200 -1.400 0.000 0.773 468 S HN 0.396 nan 8.310 nan 0.000 0.504 469 N N 0.160 118.614 118.700 -0.410 0.000 2.475 469 N HA 0.221 4.961 4.740 0.000 0.000 0.272 469 N C 0.771 176.059 175.510 -0.370 0.000 1.482 469 N CA 0.550 53.419 53.050 -0.303 0.000 0.863 469 N CB 0.616 39.031 38.487 -0.119 0.000 1.400 469 N HN 0.364 nan 8.380 nan 0.000 0.489 470 S N -2.041 113.395 115.700 -0.439 0.000 2.461 470 S HA -0.003 4.467 4.470 0.000 0.000 0.228 470 S C 1.692 176.156 174.600 -0.226 0.000 1.005 470 S CA 0.596 58.488 58.200 -0.512 0.000 0.942 470 S CB -0.096 62.962 63.200 -0.236 0.000 0.776 470 S HN 0.133 nan 8.310 nan 0.000 0.514 471 S N 2.142 117.748 115.700 -0.157 0.000 2.419 471 S HA -0.074 4.396 4.470 0.000 0.000 0.233 471 S C 1.215 175.789 174.600 -0.043 0.000 1.016 471 S CA 1.035 59.192 58.200 -0.071 0.000 0.974 471 S CB -0.429 62.737 63.200 -0.057 0.000 0.786 471 S HN 0.558 nan 8.310 nan 0.000 0.492 472 D N 1.111 121.472 120.400 -0.065 0.000 2.371 472 D HA 0.078 4.718 4.640 0.000 0.000 0.234 472 D C 1.473 177.762 176.300 -0.019 0.000 1.049 472 D CA 0.117 54.098 54.000 -0.031 0.000 0.907 472 D CB -0.037 40.742 40.800 -0.035 0.000 0.891 472 D HN 0.358 nan 8.370 nan 0.000 0.531 473 L N 0.783 121.996 121.223 -0.016 0.000 2.081 473 L HA -0.187 4.153 4.340 0.000 0.000 0.212 473 L C 2.553 179.446 176.870 0.038 0.000 1.080 473 L CA 1.127 55.992 54.840 0.041 0.000 0.754 473 L CB -0.223 41.887 42.059 0.085 0.000 0.893 473 L HN 0.010 nan 8.230 nan 0.000 0.433 474 E N -0.230 119.986 120.200 0.027 0.000 2.110 474 E HA -0.196 4.154 4.350 0.000 0.000 0.193 474 E C 1.943 178.560 176.600 0.028 0.000 0.988 474 E CA 1.824 58.241 56.400 0.028 0.000 0.804 474 E CB 0.052 29.767 29.700 0.025 0.000 0.745 474 E HN 0.456 nan 8.360 nan 0.000 0.458 475 T N 1.392 115.961 114.554 0.025 0.000 2.777 475 T HA -0.071 4.279 4.350 0.000 0.000 0.266 475 T C 2.061 176.777 174.700 0.027 0.000 1.040 475 T CA 1.153 63.268 62.100 0.025 0.000 1.141 475 T CB -0.137 68.745 68.868 0.022 0.000 0.868 475 T HN 0.181 nan 8.240 nan 0.000 0.444 476 I N 1.266 121.854 120.570 0.030 0.000 2.286 476 I HA -0.175 3.995 4.170 0.000 0.000 0.248 476 I C 2.888 179.030 176.117 0.041 0.000 1.115 476 I CA 1.052 62.374 61.300 0.037 0.000 1.392 476 I CB -0.426 37.603 38.000 0.048 0.000 1.065 476 I HN 0.205 nan 8.210 nan 0.000 0.418 477 A N 0.791 123.636 122.820 0.041 0.000 1.898 477 A HA -0.231 4.089 4.320 0.000 0.000 0.216 477 A C 2.417 180.020 177.584 0.032 0.000 1.181 477 A CA 1.702 53.763 52.037 0.040 0.000 0.620 477 A CB -0.586 18.438 19.000 0.040 0.000 0.819 477 A HN 0.360 nan 8.150 nan 0.000 0.442 478 R N -0.273 120.243 120.500 0.028 0.000 2.092 478 R HA 0.016 4.356 4.340 0.000 0.000 0.231 478 R C 1.522 177.833 176.300 0.018 0.000 1.119 478 R CA 1.414 57.527 56.100 0.022 0.000 0.970 478 R CB -0.332 29.981 30.300 0.021 0.000 0.864 478 R HN 0.492 nan 8.270 nan 0.000 0.440 479 L N 0.434 121.668 121.223 0.019 0.000 2.554 479 L HA 0.074 4.414 4.340 0.000 0.000 0.226 479 L C 0.379 177.261 176.870 0.020 0.000 1.137 479 L CA 0.041 54.891 54.840 0.015 0.000 0.863 479 L CB -0.315 41.755 42.059 0.018 0.000 0.985 479 L HN 0.327 nan 8.230 nan 0.000 0.451 480 N N 0.935 119.652 118.700 0.027 0.000 2.740 480 N HA -0.201 4.539 4.740 0.000 0.000 0.248 480 N C -0.556 174.975 175.510 0.036 0.000 1.062 480 N CA 0.448 53.517 53.050 0.032 0.000 0.704 480 N CB -1.295 37.207 38.487 0.025 0.000 0.968 480 N HN 0.246 nan 8.380 nan 0.000 0.547 481 L N 0.623 121.870 121.223 0.040 0.000 2.281 481 L HA 0.344 4.684 4.340 0.000 0.000 0.285 481 L C -1.292 175.613 176.870 0.059 0.000 1.074 481 L CA -1.600 53.267 54.840 0.044 0.000 0.817 481 L CB 0.924 43.008 42.059 0.041 0.000 1.168 481 L HN 0.052 nan 8.230 nan 0.000 0.434 482 P HA 0.115 nan 4.420 nan 0.000 0.237 482 P C -0.023 177.346 177.300 0.114 0.000 1.723 482 P CA 0.056 63.205 63.100 0.082 0.000 0.882 482 P CB -0.309 31.432 31.700 0.069 0.000 1.810 483 I N 0.256 120.893 120.570 0.111 0.000 2.496 483 I HA 0.059 4.229 4.170 0.000 0.000 0.285 483 I C 0.621 176.826 176.117 0.146 0.000 1.080 483 I CA -0.434 60.947 61.300 0.135 0.000 1.404 483 I CB 1.165 39.224 38.000 0.097 0.000 1.403 483 I HN -0.163 nan 8.210 nan 0.000 0.539 484 V N 6.010 126.033 119.914 0.183 0.000 2.350 484 V HA 0.246 4.367 4.120 0.000 0.000 0.276 484 V C 0.229 176.310 176.094 -0.022 0.000 1.028 484 V CA -0.342 61.994 62.300 0.061 0.000 0.860 484 V CB 1.167 32.921 31.823 -0.115 0.000 0.990 484 V HN 0.735 nan 8.190 nan 0.000 0.453 485 T N 4.741 119.254 114.554 -0.069 0.000 2.824 485 T HA 0.583 4.933 4.350 0.000 0.000 0.280 485 T C -0.317 174.231 174.700 -0.255 0.000 0.995 485 T CA -0.376 61.642 62.100 -0.135 0.000 1.009 485 T CB 1.742 70.529 68.868 -0.135 0.000 0.955 485 T HN 0.324 nan 8.240 nan 0.000 0.452 486 V N 3.796 123.548 119.914 -0.270 0.000 2.378 486 V HA 0.355 4.475 4.120 0.000 0.000 0.288 486 V C -0.240 175.588 176.094 -0.443 0.000 1.016 486 V CA -0.781 61.328 62.300 -0.319 0.000 0.840 486 V CB 1.739 33.425 31.823 -0.229 0.000 0.994 486 V HN 0.715 nan 8.190 nan 0.000 0.431 487 V N 6.195 125.769 119.914 -0.566 0.000 2.318 487 V HA 0.252 4.372 4.120 0.000 0.000 0.271 487 V C 0.185 175.956 176.094 -0.538 0.000 1.030 487 V CA -0.592 61.268 62.300 -0.733 0.000 0.844 487 V CB 1.641 32.795 31.823 -1.115 0.000 1.015 487 V HN 0.733 nan 8.190 nan 0.000 0.460 488 V N 2.592 122.201 119.914 -0.509 0.000 2.405 488 V HA 0.510 4.630 4.120 0.000 0.000 0.264 488 V C 0.047 175.958 176.094 -0.305 0.000 1.048 488 V CA -0.285 61.786 62.300 -0.382 0.000 0.966 488 V CB 0.924 32.527 31.823 -0.366 0.000 1.015 488 V HN 0.754 nan 8.190 nan 0.000 0.477 489 N N 4.889 123.461 118.700 -0.214 0.000 2.476 489 N HA 0.381 5.121 4.740 0.000 0.000 0.257 489 N C 0.173 175.663 175.510 -0.033 0.000 0.970 489 N CA -0.493 52.507 53.050 -0.083 0.000 0.938 489 N CB 1.415 39.904 38.487 0.003 0.000 1.144 489 N HN 0.880 nan 8.380 nan 0.000 0.500 490 N N 2.219 120.946 118.700 0.044 0.000 2.282 490 N HA 0.082 4.822 4.740 0.000 0.000 0.240 490 N C -0.971 174.623 175.510 0.140 0.000 1.182 490 N CA -0.213 52.870 53.050 0.054 0.000 0.874 490 N CB -0.013 38.493 38.487 0.033 0.000 1.126 490 N HN 0.434 nan 8.380 nan 0.000 0.516 491 D N -0.239 120.286 120.400 0.208 0.000 2.811 491 D HA -0.143 4.497 4.640 0.000 0.000 0.231 491 D C -0.906 175.597 176.300 0.338 0.000 1.157 491 D CA 1.208 55.385 54.000 0.295 0.000 0.716 491 D CB -1.696 39.209 40.800 0.176 0.000 1.077 491 D HN 0.437 nan 8.370 nan 0.000 0.428 492 T N 0.174 114.952 114.554 0.372 0.000 2.932 492 T HA 0.221 4.571 4.350 0.000 0.000 0.318 492 T C -0.118 174.774 174.700 0.321 0.000 1.265 492 T CA -0.835 61.379 62.100 0.189 0.000 1.036 492 T CB 1.504 70.478 68.868 0.177 0.000 1.209 492 T HN -0.158 nan 8.240 nan 0.000 0.484 493 N N 1.858 120.646 118.700 0.147 0.000 2.549 493 N HA 0.198 4.938 4.740 0.000 0.000 0.267 493 N C 1.409 177.038 175.510 0.198 0.000 1.182 493 N CA -0.032 53.170 53.050 0.253 0.000 1.019 493 N CB 0.794 39.395 38.487 0.188 0.000 1.380 493 N HN 0.888 nan 8.380 nan 0.000 0.505 494 G N 1.683 110.652 108.800 0.282 0.000 2.402 494 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 494 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 494 G C 1.436 176.361 174.900 0.041 0.000 1.162 494 G CA 0.046 45.313 45.100 0.279 0.000 0.777 494 G HN 0.488 nan 8.290 nan 0.000 0.539 495 L N 0.466 121.697 121.223 0.014 0.000 2.081 495 L HA -0.119 4.221 4.340 0.000 0.000 0.212 495 L C 2.647 179.472 176.870 -0.077 0.000 1.080 495 L CA 1.236 56.001 54.840 -0.124 0.000 0.754 495 L CB -0.226 41.879 42.059 0.076 0.000 0.893 495 L HN 0.151 nan 8.230 nan 0.000 0.433 496 I N -0.528 120.064 120.570 0.036 0.000 2.406 496 I HA -0.228 3.942 4.170 0.000 0.000 0.249 496 I C 2.379 178.498 176.117 0.003 0.000 1.122 496 I CA 1.024 62.364 61.300 0.066 0.000 1.431 496 I CB -1.261 36.769 38.000 0.051 0.000 1.087 496 I HN 0.359 nan 8.210 nan 0.000 0.424 497 E N 1.263 121.453 120.200 -0.016 0.000 2.110 497 E HA -0.206 4.144 4.350 0.000 0.000 0.193 497 E C 2.416 178.871 176.600 -0.241 0.000 0.988 497 E CA 0.749 57.153 56.400 0.008 0.000 0.804 497 E CB 0.083 29.906 29.700 0.205 0.000 0.745 497 E HN 0.376 nan 8.360 nan 0.000 0.458 498 L N 0.063 120.861 121.223 -0.709 0.000 1.989 498 L HA -0.242 4.098 4.340 0.000 0.000 0.211 498 L C 2.144 178.566 176.870 -0.747 0.000 1.071 498 L CA 1.750 55.812 54.840 -1.297 0.000 0.749 498 L CB -0.432 40.601 42.059 -1.709 0.000 0.890 498 L HN 0.301 nan 8.230 nan 0.000 0.431 499 Y N 0.472 120.506 120.300 -0.442 0.000 2.224 499 Y HA -0.282 4.268 4.550 0.000 0.000 0.289 499 Y C 2.840 178.625 175.900 -0.190 0.000 1.146 499 Y CA 1.494 59.420 58.100 -0.291 0.000 1.182 499 Y CB -0.422 37.917 38.460 -0.201 0.000 0.983 499 Y HN 0.334 nan 8.280 nan 0.000 0.524 500 Q N -0.169 119.651 119.800 0.032 0.000 2.112 500 Q HA -0.229 4.111 4.340 0.000 0.000 0.206 500 Q C 1.905 177.945 176.000 0.067 0.000 0.987 500 Q CA 1.552 57.431 55.803 0.126 0.000 0.858 500 Q CB -0.278 28.524 28.738 0.107 0.000 0.905 500 Q HN 0.572 nan 8.270 nan 0.000 0.420 501 N N 0.334 118.990 118.700 -0.072 0.000 2.216 501 N HA -0.061 4.679 4.740 0.000 0.000 0.183 501 N C 1.876 177.213 175.510 -0.289 0.000 1.017 501 N CA 0.849 53.834 53.050 -0.109 0.000 0.861 501 N CB 0.021 38.478 38.487 -0.050 0.000 0.986 501 N HN 0.253 nan 8.380 nan 0.000 0.428 502 I N 0.773 121.149 120.570 -0.323 0.000 2.226 502 I HA -0.156 4.014 4.170 0.000 0.000 0.245 502 I C 2.463 178.339 176.117 -0.402 0.000 1.100 502 I CA 1.198 62.289 61.300 -0.348 0.000 1.374 502 I CB -0.420 37.386 38.000 -0.322 0.000 1.057 502 I HN 0.129 nan 8.210 nan 0.000 0.413 503 G N -0.605 107.973 108.800 -0.370 0.000 2.408 503 G HA2 -0.111 3.849 3.960 0.000 0.000 0.215 503 G HA3 -0.111 3.849 3.960 0.000 0.000 0.215 503 G C 1.288 175.781 174.900 -0.678 0.000 1.156 503 G CA 0.429 45.195 45.100 -0.557 0.000 0.793 503 G HN 0.458 nan 8.290 nan 0.000 0.535 504 H N -1.482 117.494 119.070 -0.157 0.000 3.398 504 H HA 0.160 4.716 4.556 0.000 0.000 0.260 504 H C 0.184 175.544 175.328 0.053 0.000 1.189 504 H CA -0.030 56.002 56.048 -0.026 0.000 1.145 504 H CB 0.425 30.186 29.762 -0.002 0.000 1.599 504 H HN 0.423 nan 8.280 nan 0.000 0.615 505 H N 0.919 120.047 119.070 0.097 0.000 2.820 505 H HA -0.165 4.391 4.556 0.000 0.000 0.295 505 H C 0.473 175.859 175.328 0.097 0.000 1.187 505 H CA 1.377 57.473 56.048 0.080 0.000 1.144 505 H CB -1.095 28.703 29.762 0.060 0.000 1.354 505 H HN 0.605 nan 8.280 nan 0.000 0.395 506 R N -1.704 118.895 120.500 0.164 0.000 2.741 506 R HA 0.633 4.973 4.340 0.000 0.000 0.274 506 R C -1.277 175.095 176.300 0.120 0.000 1.029 506 R CA -0.765 55.417 56.100 0.136 0.000 0.880 506 R CB 1.083 31.455 30.300 0.120 0.000 1.264 506 R HN -0.031 nan 8.270 nan 0.000 0.465 507 S N -0.339 115.429 115.700 0.113 0.000 2.651 507 S HA 0.380 4.850 4.470 0.000 0.000 0.291 507 S C -1.144 173.536 174.600 0.132 0.000 1.141 507 S CA -0.504 57.762 58.200 0.110 0.000 1.027 507 S CB 0.820 64.079 63.200 0.098 0.000 1.043 507 S HN 0.620 nan 8.310 nan 0.000 0.530 508 H N 0.641 119.709 119.070 -0.003 0.000 3.092 508 H HA 0.344 4.900 4.556 0.000 0.000 0.308 508 H C -0.217 175.098 175.328 -0.022 0.000 1.047 508 H CA -0.563 55.472 56.048 -0.023 0.000 1.466 508 H CB 0.317 30.048 29.762 -0.052 0.000 1.597 508 H HN 0.448 nan 8.280 nan 0.000 0.512 509 D N 4.671 124.897 120.400 -0.290 0.000 2.123 509 D HA -0.104 4.536 4.640 0.000 0.000 0.196 509 D C -0.781 175.360 176.300 -0.266 0.000 0.992 509 D CA 0.815 54.682 54.000 -0.220 0.000 0.833 509 D CB -0.847 39.859 40.800 -0.156 0.000 0.954 509 D HN 0.536 nan 8.370 nan 0.000 0.455 510 P HA -0.085 nan 4.420 nan 0.000 0.220 510 P C 0.795 178.024 177.300 -0.118 0.000 1.144 510 P CA 1.478 64.436 63.100 -0.236 0.000 0.800 510 P CB 0.016 31.565 31.700 -0.250 0.000 0.772 511 A N -1.346 121.425 122.820 -0.081 0.000 2.238 511 A HA 0.136 4.456 4.320 0.000 0.000 0.210 511 A C 1.680 179.225 177.584 -0.066 0.000 1.179 511 A CA 1.147 53.181 52.037 -0.004 0.000 0.827 511 A CB -0.480 18.574 19.000 0.091 0.000 0.856 511 A HN 0.206 nan 8.150 nan 0.000 0.488 512 V N -6.003 113.826 119.914 -0.141 0.000 3.264 512 V HA 0.341 4.461 4.120 0.000 0.000 0.262 512 V C -0.107 175.736 176.094 -0.419 0.000 1.616 512 V CA -0.327 61.846 62.300 -0.210 0.000 1.033 512 V CB -0.137 31.640 31.823 -0.077 0.000 0.865 512 V HN 0.044 nan 8.190 nan 0.000 0.420 513 K N 1.680 121.877 120.400 -0.339 0.000 2.172 513 K HA 0.617 4.937 4.320 0.000 0.000 0.276 513 K C -1.171 175.219 176.600 -0.349 0.000 1.013 513 K CA -0.232 55.876 56.287 -0.299 0.000 0.913 513 K CB 1.532 33.960 32.500 -0.121 0.000 1.055 513 K HN 0.322 nan 8.250 nan 0.000 0.461 514 F N -0.419 119.571 119.950 0.068 0.000 2.497 514 F HA 0.445 4.972 4.527 0.000 0.000 0.331 514 F C 1.488 177.311 175.800 0.037 0.000 1.060 514 F CA -0.708 57.329 58.000 0.063 0.000 0.989 514 F CB 0.607 39.663 39.000 0.093 0.000 1.245 514 F HN 0.563 nan 8.300 nan 0.000 0.486 515 G N -0.448 108.496 108.800 0.241 0.000 2.588 515 G HA2 0.444 4.404 3.960 0.000 0.000 0.278 515 G HA3 0.444 4.404 3.960 0.000 0.000 0.278 515 G C -0.110 174.841 174.900 0.085 0.000 1.307 515 G CA -0.461 44.711 45.100 0.120 0.000 1.016 515 G HN 0.894 nan 8.290 nan 0.000 0.503 516 G N -1.765 107.044 108.800 0.014 0.000 2.390 516 G HA2 0.460 4.420 3.960 0.000 0.000 0.270 516 G HA3 0.460 4.420 3.960 0.000 0.000 0.270 516 G C -0.818 173.997 174.900 -0.142 0.000 1.211 516 G CA -0.141 44.935 45.100 -0.039 0.000 0.842 516 G HN 0.590 nan 8.290 nan 0.000 0.519 517 V N 2.755 122.505 119.914 -0.273 0.000 2.531 517 V HA 0.226 4.346 4.120 0.000 0.000 0.301 517 V C -0.753 174.957 176.094 -0.640 0.000 1.034 517 V CA -0.885 61.060 62.300 -0.592 0.000 0.865 517 V CB 1.956 33.119 31.823 -1.100 0.000 0.995 517 V HN 0.773 nan 8.190 nan 0.000 0.424 518 D N 3.603 123.712 120.400 -0.485 0.000 2.468 518 D HA 0.255 4.896 4.640 0.000 0.000 0.218 518 D C 0.629 176.711 176.300 -0.364 0.000 1.155 518 D CA -0.242 53.571 54.000 -0.312 0.000 0.924 518 D CB 0.490 41.180 40.800 -0.184 0.000 1.029 518 D HN 0.370 nan 8.370 nan 0.000 0.515 519 F N 1.893 121.747 119.950 -0.159 0.000 2.365 519 F HA -0.121 4.406 4.527 0.000 0.000 0.300 519 F C 2.311 178.023 175.800 -0.145 0.000 1.090 519 F CA 0.192 58.098 58.000 -0.156 0.000 1.408 519 F CB -0.176 38.691 39.000 -0.221 0.000 1.060 519 F HN 0.264 nan 8.300 nan 0.000 0.534 520 V N -0.013 119.896 119.914 -0.009 0.000 2.270 520 V HA -0.295 3.825 4.120 0.000 0.000 0.245 520 V C 2.600 178.660 176.094 -0.057 0.000 1.043 520 V CA 1.915 64.174 62.300 -0.068 0.000 1.014 520 V CB -1.267 30.506 31.823 -0.083 0.000 0.645 520 V HN 0.344 nan 8.190 nan 0.000 0.447 521 A N -0.548 122.234 122.820 -0.064 0.000 1.930 521 A HA -0.173 4.147 4.320 0.000 0.000 0.217 521 A C 2.160 179.718 177.584 -0.043 0.000 1.175 521 A CA 1.925 53.928 52.037 -0.056 0.000 0.627 521 A CB -0.547 18.411 19.000 -0.070 0.000 0.815 521 A HN 0.449 nan 8.150 nan 0.000 0.443 522 L N -0.288 120.903 121.223 -0.053 0.000 2.017 522 L HA -0.104 4.236 4.340 0.000 0.000 0.208 522 L C 2.779 179.681 176.870 0.053 0.000 1.073 522 L CA 2.081 56.917 54.840 -0.006 0.000 0.745 522 L CB -0.566 41.484 42.059 -0.014 0.000 0.894 522 L HN 0.352 nan 8.230 nan 0.000 0.432 523 A N -0.995 121.864 122.820 0.065 0.000 1.908 523 A HA -0.269 4.051 4.320 0.000 0.000 0.218 523 A C 2.234 179.833 177.584 0.024 0.000 1.181 523 A CA 2.019 54.090 52.037 0.057 0.000 0.627 523 A CB -0.683 18.319 19.000 0.003 0.000 0.818 523 A HN 0.566 nan 8.150 nan 0.000 0.445 524 E N -0.618 119.583 120.200 0.001 0.000 2.208 524 E HA 0.029 4.379 4.350 0.000 0.000 0.193 524 E C 2.147 178.753 176.600 0.010 0.000 0.988 524 E CA 0.683 57.085 56.400 0.004 0.000 0.828 524 E CB -0.203 29.493 29.700 -0.007 0.000 0.763 524 E HN 0.617 nan 8.360 nan 0.000 0.478 525 A N 1.166 123.991 122.820 0.009 0.000 1.972 525 A HA -0.161 4.159 4.320 0.000 0.000 0.219 525 A C 1.727 179.322 177.584 0.019 0.000 1.169 525 A CA 1.173 53.216 52.037 0.010 0.000 0.635 525 A CB -0.245 18.758 19.000 0.006 0.000 0.810 525 A HN 0.180 nan 8.150 nan 0.000 0.446 526 N N -0.980 117.738 118.700 0.029 0.000 2.398 526 N HA 0.120 4.860 4.740 0.000 0.000 0.188 526 N C 0.975 176.505 175.510 0.033 0.000 1.122 526 N CA 0.857 53.927 53.050 0.033 0.000 0.866 526 N CB 0.404 38.918 38.487 0.045 0.000 0.970 526 N HN 0.628 nan 8.380 nan 0.000 0.462 527 G N 0.517 109.335 108.800 0.030 0.000 2.132 527 G HA2 -0.234 3.726 3.960 0.000 0.000 0.234 527 G HA3 -0.234 3.726 3.960 0.000 0.000 0.234 527 G C -0.178 174.747 174.900 0.042 0.000 0.989 527 G CA -0.144 44.975 45.100 0.033 0.000 0.676 527 G HN 0.154 nan 8.290 nan 0.000 0.522 528 V N 1.535 121.474 119.914 0.042 0.000 2.370 528 V HA 0.414 4.534 4.120 0.000 0.000 0.283 528 V C 0.052 176.166 176.094 0.034 0.000 1.023 528 V CA -1.192 61.138 62.300 0.049 0.000 0.857 528 V CB 1.576 33.427 31.823 0.046 0.000 0.985 528 V HN 0.243 nan 8.190 nan 0.000 0.443 529 D N 3.495 123.949 120.400 0.089 0.000 2.423 529 D HA 0.592 5.232 4.640 0.000 0.000 0.238 529 D C 0.221 176.460 176.300 -0.103 0.000 1.142 529 D CA 0.558 54.624 54.000 0.111 0.000 0.884 529 D CB 1.653 42.638 40.800 0.307 0.000 1.199 529 D HN 0.828 nan 8.370 nan 0.000 0.438 530 A N 0.750 123.435 122.820 -0.224 0.000 2.588 530 A HA 0.773 5.093 4.320 0.000 0.000 0.290 530 A C -0.611 176.741 177.584 -0.388 0.000 1.136 530 A CA -0.547 51.151 52.037 -0.565 0.000 0.681 530 A CB 2.298 21.107 19.000 -0.317 0.000 1.282 530 A HN 0.439 nan 8.150 nan 0.000 0.421 531 T N -0.744 113.561 114.554 -0.415 0.000 2.827 531 T HA 0.513 4.863 4.350 0.000 0.000 0.328 531 T C -1.437 173.164 174.700 -0.164 0.000 1.598 531 T CA -0.535 61.459 62.100 -0.177 0.000 1.043 531 T CB 1.277 70.142 68.868 -0.004 0.000 1.447 531 T HN 0.877 nan 8.240 nan 0.000 0.491 532 R N 1.413 121.857 120.500 -0.093 0.000 2.428 532 R HA 0.815 5.155 4.340 0.000 0.000 0.294 532 R C -1.094 175.167 176.300 -0.065 0.000 1.000 532 R CA -0.441 55.608 56.100 -0.085 0.000 0.960 532 R CB 1.117 31.379 30.300 -0.063 0.000 1.076 532 R HN 0.701 nan 8.270 nan 0.000 0.475 533 A N 1.911 124.686 122.820 -0.075 0.000 2.381 533 A HA 0.342 4.662 4.320 0.000 0.000 0.299 533 A C 0.020 177.564 177.584 -0.066 0.000 1.049 533 A CA -0.631 51.370 52.037 -0.059 0.000 0.715 533 A CB 1.637 20.602 19.000 -0.058 0.000 1.222 533 A HN 0.851 nan 8.150 nan 0.000 0.428 534 T N -1.587 112.937 114.554 -0.050 0.000 3.040 534 T HA 0.337 4.687 4.350 0.000 0.000 0.266 534 T C 0.174 174.850 174.700 -0.039 0.000 1.005 534 T CA 0.380 62.450 62.100 -0.051 0.000 0.906 534 T CB -0.705 68.139 68.868 -0.040 0.000 1.082 534 T HN 0.997 nan 8.240 nan 0.000 0.531 535 N N -0.401 118.279 118.700 -0.034 0.000 3.106 535 N HA 0.391 5.131 4.740 0.000 0.000 0.253 535 N C 0.337 175.835 175.510 -0.021 0.000 1.506 535 N CA -1.134 51.903 53.050 -0.021 0.000 0.876 535 N CB 0.905 39.384 38.487 -0.013 0.000 1.452 535 N HN -0.185 nan 8.380 nan 0.000 0.542 536 R N -0.075 120.419 120.500 -0.011 0.000 2.091 536 R HA -0.069 4.271 4.340 0.000 0.000 0.238 536 R C 1.071 177.366 176.300 -0.008 0.000 1.136 536 R CA 1.883 57.978 56.100 -0.008 0.000 0.959 536 R CB -0.260 30.041 30.300 0.001 0.000 0.856 536 R HN 0.687 nan 8.270 nan 0.000 0.437 537 E N 0.315 120.511 120.200 -0.008 0.000 2.051 537 E HA -0.204 4.146 4.350 0.000 0.000 0.192 537 E C 1.936 178.532 176.600 -0.007 0.000 0.991 537 E CA 1.275 57.671 56.400 -0.006 0.000 0.799 537 E CB 0.036 29.732 29.700 -0.007 0.000 0.748 537 E HN 0.398 nan 8.360 nan 0.000 0.449 538 E N 0.337 120.531 120.200 -0.011 0.000 2.110 538 E HA -0.192 4.158 4.350 0.000 0.000 0.193 538 E C 2.075 178.669 176.600 -0.011 0.000 0.988 538 E CA 0.574 56.969 56.400 -0.010 0.000 0.804 538 E CB 0.003 29.693 29.700 -0.016 0.000 0.745 538 E HN 0.093 nan 8.360 nan 0.000 0.458 539 L N 0.817 122.027 121.223 -0.021 0.000 2.072 539 L HA -0.107 4.233 4.340 0.000 0.000 0.205 539 L C 2.015 178.872 176.870 -0.021 0.000 1.079 539 L CA 1.400 56.221 54.840 -0.031 0.000 0.752 539 L CB -0.293 41.739 42.059 -0.045 0.000 0.906 539 L HN 0.107 nan 8.230 nan 0.000 0.436 540 L N -0.619 120.598 121.223 -0.010 0.000 2.042 540 L HA -0.213 4.127 4.340 0.000 0.000 0.210 540 L C 2.637 179.506 176.870 -0.002 0.000 1.076 540 L CA 1.276 56.116 54.840 0.000 0.000 0.749 540 L CB -0.882 41.182 42.059 0.008 0.000 0.893 540 L HN 0.387 nan 8.230 nan 0.000 0.432 541 A N -0.182 122.637 122.820 -0.002 0.000 1.898 541 A HA -0.134 4.186 4.320 0.000 0.000 0.216 541 A C 2.514 180.096 177.584 -0.002 0.000 1.181 541 A CA 1.638 53.673 52.037 -0.004 0.000 0.620 541 A CB -0.654 18.346 19.000 -0.001 0.000 0.819 541 A HN 0.402 nan 8.150 nan 0.000 0.442 542 A N -0.313 122.525 122.820 0.031 0.000 1.898 542 A HA -0.002 4.318 4.320 0.000 0.000 0.216 542 A C 2.173 179.807 177.584 0.083 0.000 1.181 542 A CA 1.436 53.548 52.037 0.125 0.000 0.620 542 A CB -0.590 18.500 19.000 0.150 0.000 0.819 542 A HN 0.455 nan 8.150 nan 0.000 0.442 543 L N -1.121 120.095 121.223 -0.012 0.000 2.046 543 L HA -0.178 4.162 4.340 0.000 0.000 0.208 543 L C 2.881 179.708 176.870 -0.071 0.000 1.077 543 L CA 1.477 56.252 54.840 -0.109 0.000 0.747 543 L CB -0.406 41.567 42.059 -0.144 0.000 0.896 543 L HN 0.336 nan 8.230 nan 0.000 0.432 544 R N -0.225 120.256 120.500 -0.031 0.000 2.092 544 R HA -0.169 4.171 4.340 0.000 0.000 0.231 544 R C 2.314 178.571 176.300 -0.072 0.000 1.119 544 R CA 1.153 57.245 56.100 -0.014 0.000 0.970 544 R CB -0.179 30.119 30.300 -0.004 0.000 0.864 544 R HN 0.268 nan 8.270 nan 0.000 0.440 545 K N 0.241 120.556 120.400 -0.142 0.000 2.002 545 K HA -0.124 4.196 4.320 0.000 0.000 0.209 545 K C 2.110 178.469 176.600 -0.402 0.000 1.048 545 K CA 1.702 57.823 56.287 -0.276 0.000 0.930 545 K CB -0.381 31.899 32.500 -0.366 0.000 0.714 545 K HN 0.225 nan 8.250 nan 0.000 0.438 546 G N 0.477 108.997 108.800 -0.466 0.000 2.476 546 G HA2 -0.313 3.647 3.960 0.000 0.000 0.218 546 G HA3 -0.313 3.647 3.960 0.000 0.000 0.218 546 G C 1.569 176.413 174.900 -0.093 0.000 1.164 546 G CA 1.160 46.058 45.100 -0.335 0.000 0.768 546 G HN 0.479 nan 8.290 nan 0.000 0.560 547 A N 0.020 122.839 122.820 -0.003 0.000 2.067 547 A HA 0.072 4.392 4.320 0.000 0.000 0.219 547 A C 2.087 179.705 177.584 0.056 0.000 1.158 547 A CA 1.590 53.707 52.037 0.133 0.000 0.661 547 A CB -0.112 19.039 19.000 0.252 0.000 0.801 547 A HN 0.400 nan 8.150 nan 0.000 0.452 548 E N -1.132 119.058 120.200 -0.017 0.000 2.481 548 E HA 0.081 4.431 4.350 0.000 0.000 0.198 548 E C 1.255 177.824 176.600 -0.050 0.000 1.027 548 E CA -0.169 56.215 56.400 -0.025 0.000 0.900 548 E CB 0.197 29.876 29.700 -0.035 0.000 0.993 548 E HN 0.469 nan 8.360 nan 0.000 0.482 549 L N 0.679 121.850 121.223 -0.087 0.000 2.201 549 L HA 0.008 4.348 4.340 0.000 0.000 0.212 549 L C 1.430 178.278 176.870 -0.036 0.000 1.105 549 L CA 1.830 56.610 54.840 -0.100 0.000 0.775 549 L CB -0.365 41.589 42.059 -0.175 0.000 0.913 549 L HN 0.297 nan 8.230 nan 0.000 0.440 550 G N -0.263 108.533 108.800 -0.007 0.000 2.153 550 G HA2 -0.312 3.648 3.960 0.000 0.000 0.252 550 G HA3 -0.312 3.648 3.960 0.000 0.000 0.252 550 G C 0.518 175.432 174.900 0.023 0.000 0.994 550 G CA 0.586 45.693 45.100 0.011 0.000 0.698 550 G HN 0.437 nan 8.290 nan 0.000 0.521 551 R N -0.497 120.022 120.500 0.033 0.000 2.710 551 R HA 0.422 4.762 4.340 0.000 0.000 0.270 551 R C -2.763 173.592 176.300 0.090 0.000 1.021 551 R CA -1.851 54.282 56.100 0.055 0.000 0.889 551 R CB 2.288 32.619 30.300 0.052 0.000 1.243 551 R HN 0.030 nan 8.270 nan 0.000 0.464 552 P HA 0.051 nan 4.420 nan 0.000 0.267 552 P C -1.065 176.369 177.300 0.224 0.000 1.200 552 P CA 0.306 63.486 63.100 0.134 0.000 0.772 552 P CB 0.486 32.245 31.700 0.098 0.000 0.855 553 F N 2.221 122.168 119.950 -0.005 0.000 2.601 553 F HA 0.595 5.122 4.527 0.000 0.000 0.309 553 F C -1.537 174.230 175.800 -0.056 0.000 1.089 553 F CA -1.182 56.800 58.000 -0.030 0.000 0.940 553 F CB 1.694 40.667 39.000 -0.046 0.000 1.273 553 F HN 0.161 nan 8.300 nan 0.000 0.450 554 L N 6.310 127.180 121.223 -0.589 0.000 2.385 554 L HA 0.720 5.060 4.340 0.000 0.000 0.273 554 L C -1.649 174.819 176.870 -0.669 0.000 0.990 554 L CA -0.430 54.122 54.840 -0.480 0.000 0.821 554 L CB 1.587 43.466 42.059 -0.300 0.000 1.279 554 L HN 0.567 nan 8.230 nan 0.000 0.412 555 I N 4.174 124.465 120.570 -0.464 0.000 2.382 555 I HA 0.365 4.535 4.170 0.000 0.000 0.286 555 I C -0.401 175.523 176.117 -0.320 0.000 1.002 555 I CA -0.428 60.653 61.300 -0.365 0.000 1.135 555 I CB 1.820 39.675 38.000 -0.242 0.000 1.288 555 I HN 0.601 nan 8.210 nan 0.000 0.448 556 E N 6.171 126.216 120.200 -0.259 0.000 2.200 556 E HA 0.485 4.835 4.350 0.000 0.000 0.283 556 E C -1.444 175.049 176.600 -0.179 0.000 1.015 556 E CA -0.544 55.722 56.400 -0.222 0.000 0.819 556 E CB 1.475 31.110 29.700 -0.109 0.000 1.081 556 E HN 0.378 nan 8.360 nan 0.000 0.397 557 V N 7.349 127.143 119.914 -0.200 0.000 2.407 557 V HA 0.345 4.465 4.120 0.000 0.000 0.291 557 V C -2.234 173.763 176.094 -0.162 0.000 1.018 557 V CA -1.916 60.283 62.300 -0.167 0.000 0.842 557 V CB 1.422 33.134 31.823 -0.184 0.000 0.996 557 V HN 0.709 nan 8.190 nan 0.000 0.426 558 P HA 0.291 nan 4.420 nan 0.000 0.271 558 P C -0.634 176.565 177.300 -0.169 0.000 1.220 558 P CA 0.171 63.199 63.100 -0.120 0.000 0.768 558 P CB 1.513 33.164 31.700 -0.081 0.000 0.848 559 V N 0.931 120.714 119.914 -0.219 0.000 3.160 559 V HA 0.708 4.828 4.120 0.000 0.000 0.310 559 V C -0.769 175.101 176.094 -0.372 0.000 1.181 559 V CA -0.990 61.113 62.300 -0.329 0.000 1.047 559 V CB 2.208 33.763 31.823 -0.446 0.000 1.068 559 V HN 0.451 nan 8.190 nan 0.000 0.441 560 N N -0.504 117.917 118.700 -0.465 0.000 2.525 560 N HA 0.686 5.426 4.740 0.000 0.000 0.270 560 N C -0.959 174.221 175.510 -0.549 0.000 1.321 560 N CA -0.562 52.215 53.050 -0.454 0.000 0.797 560 N CB 2.085 40.427 38.487 -0.242 0.000 1.529 560 N HN 0.727 nan 8.380 nan 0.000 0.491 561 Y N -0.124 120.123 120.300 -0.089 0.000 2.506 561 Y HA 0.237 4.787 4.550 0.000 0.000 0.287 561 Y C 0.145 176.040 175.900 -0.010 0.000 1.147 561 Y CA 0.155 58.281 58.100 0.042 0.000 1.241 561 Y CB 0.257 38.884 38.460 0.278 0.000 1.279 561 Y HN 0.556 nan 8.280 nan 0.000 0.527 562 D N 1.056 121.405 120.400 -0.084 0.000 2.927 562 D HA -0.198 4.442 4.640 0.000 0.000 0.236 562 D C -1.026 175.337 176.300 0.106 0.000 1.163 562 D CA 0.248 54.197 54.000 -0.086 0.000 0.801 562 D CB -1.318 39.487 40.800 0.008 0.000 0.975 562 D HN 0.123 nan 8.370 nan 0.000 0.413 563 F N -0.551 119.578 119.950 0.299 0.000 2.370 563 F HA 0.576 5.103 4.527 0.000 0.000 0.324 563 F C 0.851 176.808 175.800 0.262 0.000 1.116 563 F CA -1.029 57.174 58.000 0.337 0.000 1.123 563 F CB 0.503 39.624 39.000 0.201 0.000 1.238 563 F HN 0.030 nan 8.300 nan 0.000 0.536 564 Q N 2.279 122.450 119.800 0.618 0.000 2.462 564 Q HA 0.275 4.615 4.340 0.000 0.000 0.247 564 Q C -2.123 174.140 176.000 0.439 0.000 1.044 564 Q CA -1.810 54.244 55.803 0.418 0.000 0.803 564 Q CB 1.557 30.471 28.738 0.294 0.000 1.190 564 Q HN 0.393 nan 8.270 nan 0.000 0.507 565 P HA -0.217 nan 4.420 nan 0.000 0.217 565 P C 1.288 178.719 177.300 0.218 0.000 1.151 565 P CA 1.437 64.640 63.100 0.173 0.000 0.849 565 P CB 0.170 31.910 31.700 0.066 0.000 0.787 566 G N -0.705 108.207 108.800 0.187 0.000 2.509 566 G HA2 -0.117 3.843 3.960 0.000 0.000 0.218 566 G HA3 -0.117 3.843 3.960 0.000 0.000 0.218 566 G C 1.545 176.486 174.900 0.069 0.000 1.124 566 G CA 0.673 45.850 45.100 0.128 0.000 0.776 566 G HN 0.422 nan 8.290 nan 0.000 0.547 567 G N -0.365 108.455 108.800 0.033 0.000 2.920 567 G HA2 0.194 4.154 3.960 0.000 0.000 0.208 567 G HA3 0.194 4.154 3.960 0.000 0.000 0.208 567 G C 0.505 175.164 174.900 -0.402 0.000 1.159 567 G CA -0.221 44.755 45.100 -0.207 0.000 0.784 567 G HN 0.339 nan 8.290 nan 0.000 0.535 568 F N 0.479 120.389 119.950 -0.066 0.000 2.791 568 F HA 0.308 4.835 4.527 0.000 0.000 0.308 568 F C 2.079 177.786 175.800 -0.155 0.000 1.138 568 F CA -0.524 57.394 58.000 -0.137 0.000 1.294 568 F CB 0.820 39.691 39.000 -0.215 0.000 0.975 568 F HN 0.064 nan 8.300 nan 0.000 0.512 569 G N 0.226 109.024 108.800 -0.004 0.000 2.498 569 G HA2 -0.193 3.768 3.960 0.000 0.000 0.219 569 G HA3 -0.193 3.768 3.960 0.000 0.000 0.219 569 G C 1.828 176.695 174.900 -0.055 0.000 1.119 569 G CA 0.879 45.962 45.100 -0.029 0.000 0.766 569 G HN 0.422 nan 8.290 nan 0.000 0.552 570 A N 0.397 123.174 122.820 -0.072 0.000 2.172 570 A HA 0.205 4.525 4.320 0.000 0.000 0.216 570 A C 2.167 179.681 177.584 -0.116 0.000 1.154 570 A CA 0.552 52.535 52.037 -0.090 0.000 0.701 570 A CB -0.219 18.729 19.000 -0.087 0.000 0.789 570 A HN 0.385 nan 8.150 nan 0.000 0.465 571 L N 0.951 122.095 121.223 -0.132 0.000 2.551 571 L HA -0.045 4.295 4.340 0.000 0.000 0.228 571 L C 1.771 178.588 176.870 -0.088 0.000 1.153 571 L CA 0.251 54.993 54.840 -0.163 0.000 0.851 571 L CB -0.938 40.989 42.059 -0.219 0.000 0.959 571 L HN 0.591 nan 8.230 nan 0.000 0.451 572 S N 0.000 115.657 115.700 -0.072 0.000 2.498 572 S HA 0.000 4.470 4.470 0.000 0.000 0.327 572 S CA 0.000 58.166 58.200 -0.057 0.000 1.107 572 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 572 S HN 0.000 nan 8.310 nan 0.000 0.517