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 3gww_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPXXX XXPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNH 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.136 176.300 -0.273 0.000 0.893 5 R CA 0.000 55.986 56.100 -0.189 0.000 0.921 5 R CB 0.000 30.132 30.300 -0.280 0.000 0.687 6 E N 1.794 121.854 120.200 -0.234 0.000 2.413 6 E HA 0.101 4.454 4.350 0.004 0.000 0.263 6 E C -0.816 175.513 176.600 -0.451 0.000 1.015 6 E CA 0.496 56.719 56.400 -0.295 0.000 0.916 6 E CB 0.545 30.002 29.700 -0.405 0.000 0.947 6 E HN 0.350 nan 8.360 nan 0.000 0.440 7 H N 0.490 119.455 119.070 -0.175 0.000 2.865 7 H HA 0.257 4.815 4.556 0.004 0.000 0.372 7 H C -1.097 174.091 175.328 -0.234 0.000 1.173 7 H CA -0.874 55.084 56.048 -0.151 0.000 1.147 7 H CB 0.821 30.575 29.762 -0.014 0.000 1.805 7 H HN 0.450 nan 8.280 nan 0.000 0.553 8 W N 1.381 122.753 121.300 0.120 0.000 2.251 8 W HA 0.295 4.958 4.660 0.005 0.000 0.327 8 W C 1.067 177.607 176.519 0.036 0.000 1.361 8 W CA -0.036 57.322 57.345 0.023 0.000 1.234 8 W CB 0.462 29.934 29.460 0.021 0.000 1.212 8 W HN 0.777 nan 8.180 nan 0.000 0.557 9 A N 2.483 125.438 122.820 0.224 0.000 1.855 9 A HA -0.033 4.290 4.320 0.004 0.000 0.215 9 A C 1.175 178.833 177.584 0.122 0.000 1.191 9 A CA 1.763 53.877 52.037 0.129 0.000 0.613 9 A CB -0.919 18.129 19.000 0.080 0.000 0.829 9 A HN 0.566 nan 8.150 nan 0.000 0.442 10 T N -4.705 109.926 114.554 0.127 0.000 2.940 10 T HA 0.550 4.902 4.350 0.004 0.000 0.288 10 T C 0.525 175.270 174.700 0.075 0.000 1.033 10 T CA -0.314 61.835 62.100 0.082 0.000 1.033 10 T CB 1.914 70.813 68.868 0.052 0.000 1.079 10 T HN 0.196 nan 8.240 nan 0.000 0.496 11 R N 0.215 120.744 120.500 0.047 0.000 2.073 11 R HA 0.047 4.390 4.340 0.004 0.000 0.234 11 R C 2.100 178.398 176.300 -0.003 0.000 1.134 11 R CA 1.594 57.711 56.100 0.029 0.000 0.952 11 R CB -1.410 28.905 30.300 0.025 0.000 0.850 11 R HN 0.639 nan 8.270 nan 0.000 0.433 12 L N 0.158 121.379 121.223 -0.004 0.000 2.083 12 L HA 0.080 4.422 4.340 0.004 0.000 0.209 12 L C 2.074 178.920 176.870 -0.039 0.000 1.083 12 L CA 2.311 57.139 54.840 -0.021 0.000 0.752 12 L CB -1.076 40.974 42.059 -0.015 0.000 0.899 12 L HN 0.349 nan 8.230 nan 0.000 0.433 13 G N -0.421 108.366 108.800 -0.022 0.000 2.418 13 G HA2 -0.293 3.669 3.960 0.004 0.000 0.217 13 G HA3 -0.293 3.669 3.960 0.004 0.000 0.217 13 G C 1.563 176.364 174.900 -0.166 0.000 1.158 13 G CA 0.960 46.044 45.100 -0.027 0.000 0.771 13 G HN 0.427 nan 8.290 nan 0.000 0.545 14 L N 0.899 121.975 121.223 -0.245 0.000 2.017 14 L HA -0.037 4.306 4.340 0.004 0.000 0.208 14 L C 2.580 179.222 176.870 -0.379 0.000 1.073 14 L CA 1.482 55.950 54.840 -0.619 0.000 0.745 14 L CB -0.384 41.413 42.059 -0.436 0.000 0.894 14 L HN 0.129 nan 8.230 nan 0.000 0.432 15 I N -0.451 120.036 120.570 -0.138 0.000 2.179 15 I HA -0.298 3.875 4.170 0.004 0.000 0.242 15 I C 2.626 178.711 176.117 -0.052 0.000 1.088 15 I CA 1.514 62.793 61.300 -0.035 0.000 1.357 15 I CB -1.296 36.693 38.000 -0.019 0.000 1.051 15 I HN 0.336 nan 8.210 nan 0.000 0.409 16 L N 0.552 121.728 121.223 -0.078 0.000 2.141 16 L HA -0.131 4.212 4.340 0.004 0.000 0.209 16 L C 2.797 179.639 176.870 -0.047 0.000 1.094 16 L CA 1.128 55.936 54.840 -0.054 0.000 0.763 16 L CB -0.635 41.394 42.059 -0.050 0.000 0.908 16 L HN 0.192 nan 8.230 nan 0.000 0.437 17 A N -0.370 122.378 122.820 -0.120 0.000 1.897 17 A HA -0.167 4.155 4.320 0.004 0.000 0.215 17 A C 2.318 179.952 177.584 0.085 0.000 1.181 17 A CA 1.201 53.197 52.037 -0.068 0.000 0.620 17 A CB -0.274 18.512 19.000 -0.356 0.000 0.821 17 A HN 0.226 nan 8.150 nan 0.000 0.443 18 M N -0.470 119.119 119.600 -0.018 0.000 2.175 18 M HA -0.081 4.402 4.480 0.004 0.000 0.264 18 M C 2.503 178.842 176.300 0.065 0.000 1.063 18 M CA 1.546 56.895 55.300 0.081 0.000 1.119 18 M CB -1.209 31.466 32.600 0.124 0.000 1.377 18 M HN 0.493 nan 8.290 nan 0.000 0.415 19 A N 0.144 122.993 122.820 0.047 0.000 1.930 19 A HA 0.022 4.344 4.320 0.004 0.000 0.217 19 A C 2.369 179.969 177.584 0.026 0.000 1.175 19 A CA 1.791 53.847 52.037 0.033 0.000 0.627 19 A CB -1.297 17.715 19.000 0.020 0.000 0.815 19 A HN 0.517 nan 8.150 nan 0.000 0.443 20 G N 0.143 108.964 108.800 0.035 0.000 2.422 20 G HA2 -0.286 3.676 3.960 0.004 0.000 0.218 20 G HA3 -0.286 3.676 3.960 0.004 0.000 0.218 20 G C 1.531 176.436 174.900 0.010 0.000 1.140 20 G CA 1.139 46.264 45.100 0.042 0.000 0.775 20 G HN 0.545 nan 8.290 nan 0.000 0.545 21 N N 1.631 120.322 118.700 -0.014 0.000 2.025 21 N HA -0.108 4.635 4.740 0.004 0.000 0.194 21 N C 2.440 177.837 175.510 -0.188 0.000 1.044 21 N CA 1.966 54.911 53.050 -0.175 0.000 0.851 21 N CB -0.566 37.730 38.487 -0.318 0.000 1.036 21 N HN 0.244 nan 8.380 nan 0.000 0.422 22 A N 0.793 123.546 122.820 -0.112 0.000 1.854 22 A HA 0.090 4.412 4.320 0.004 0.000 0.214 22 A C 0.977 178.532 177.584 -0.048 0.000 1.192 22 A CA 0.595 52.574 52.037 -0.096 0.000 0.611 22 A CB -0.701 18.276 19.000 -0.038 0.000 0.832 22 A HN 0.097 nan 8.150 nan 0.000 0.442 23 V N 1.113 121.027 119.914 -0.001 0.000 2.400 23 V HA 0.456 4.578 4.120 0.004 0.000 0.263 23 V C 0.839 176.996 176.094 0.106 0.000 1.026 23 V CA 0.419 62.748 62.300 0.049 0.000 1.077 23 V CB -0.494 31.380 31.823 0.085 0.000 1.054 23 V HN 0.610 nan 8.190 nan 0.000 0.477 24 G N 2.983 111.868 108.800 0.143 0.000 3.085 24 G HA2 0.478 4.440 3.960 0.004 0.000 0.264 24 G HA3 0.478 4.440 3.960 0.004 0.000 0.264 24 G C 0.337 175.438 174.900 0.334 0.000 1.206 24 G CA -0.839 44.401 45.100 0.232 0.000 0.809 24 G HN 0.440 nan 8.290 nan 0.000 0.592 25 L N 0.866 122.304 121.223 0.358 0.000 2.265 25 L HA 0.047 4.390 4.340 0.004 0.000 0.215 25 L C 2.921 180.014 176.870 0.372 0.000 1.117 25 L CA 1.197 56.214 54.840 0.295 0.000 0.782 25 L CB -0.430 41.671 42.059 0.070 0.000 0.914 25 L HN 0.631 nan 8.230 nan 0.000 0.441 26 G N 0.209 109.297 108.800 0.480 0.000 2.432 26 G HA2 -0.249 3.713 3.960 0.004 0.000 0.219 26 G HA3 -0.249 3.713 3.960 0.004 0.000 0.219 26 G C 1.298 176.356 174.900 0.264 0.000 1.135 26 G CA 0.781 46.168 45.100 0.478 0.000 0.767 26 G HN 0.388 nan 8.290 nan 0.000 0.550 27 N N 0.020 118.776 118.700 0.094 0.000 2.244 27 N HA -0.004 4.739 4.740 0.004 0.000 0.183 27 N C 1.323 176.649 175.510 -0.307 0.000 1.016 27 N CA 1.048 53.944 53.050 -0.256 0.000 0.866 27 N CB -0.200 37.893 38.487 -0.657 0.000 0.980 27 N HN 0.423 nan 8.380 nan 0.000 0.430 28 F N -1.225 118.843 119.950 0.197 0.000 2.727 28 F HA 0.386 4.915 4.527 0.004 0.000 0.302 28 F C 1.431 177.384 175.800 0.254 0.000 1.107 28 F CA -0.006 58.133 58.000 0.233 0.000 1.277 28 F CB 0.341 39.414 39.000 0.123 0.000 1.079 28 F HN -0.089 nan 8.300 nan 0.000 0.594 29 L N -1.374 120.052 121.223 0.338 0.000 2.586 29 L HA 0.248 4.591 4.340 0.004 0.000 0.204 29 L C 2.326 179.274 176.870 0.130 0.000 1.053 29 L CA 0.212 55.208 54.840 0.260 0.000 0.856 29 L CB -0.242 41.997 42.059 0.300 0.000 1.192 29 L HN -0.158 nan 8.230 nan 0.000 0.484 30 R N 0.190 120.764 120.500 0.122 0.000 2.057 30 R HA -0.122 4.221 4.340 0.004 0.000 0.229 30 R C 2.387 178.695 176.300 0.013 0.000 1.136 30 R CA 1.527 57.633 56.100 0.010 0.000 0.952 30 R CB -0.255 30.015 30.300 -0.050 0.000 0.848 30 R HN 0.133 nan 8.270 nan 0.000 0.430 31 F N 2.192 122.121 119.950 -0.036 0.000 2.095 31 F HA -0.091 4.439 4.527 0.004 0.000 0.298 31 F C -1.213 174.467 175.800 -0.199 0.000 1.104 31 F CA 1.296 59.237 58.000 -0.098 0.000 1.232 31 F CB -1.022 37.935 39.000 -0.072 0.000 0.987 31 F HN 0.053 nan 8.300 nan 0.000 0.475 32 P HA -0.159 nan 4.420 nan 0.000 0.215 32 P C 2.159 179.226 177.300 -0.389 0.000 1.153 32 P CA 1.840 64.717 63.100 -0.373 0.000 0.853 32 P CB -0.084 31.571 31.700 -0.074 0.000 0.788 33 V N -0.035 119.713 119.914 -0.276 0.000 2.295 33 V HA -0.265 3.858 4.120 0.004 0.000 0.246 33 V C 2.610 178.475 176.094 -0.381 0.000 1.049 33 V CA 1.769 63.910 62.300 -0.264 0.000 1.024 33 V CB -1.179 30.525 31.823 -0.198 0.000 0.648 33 V HN 0.157 nan 8.190 nan 0.000 0.447 34 Q N -0.271 119.240 119.800 -0.480 0.000 2.096 34 Q HA -0.213 4.129 4.340 0.004 0.000 0.204 34 Q C 2.428 177.725 176.000 -1.171 0.000 0.982 34 Q CA 2.054 57.453 55.803 -0.673 0.000 0.850 34 Q CB -0.519 27.876 28.738 -0.572 0.000 0.901 34 Q HN 0.671 nan 8.270 nan 0.000 0.422 35 A N 1.061 123.043 122.820 -1.396 0.000 1.873 35 A HA -0.037 4.285 4.320 0.004 0.000 0.215 35 A C 2.359 179.587 177.584 -0.595 0.000 1.186 35 A CA 1.708 52.959 52.037 -1.311 0.000 0.616 35 A CB -0.686 17.570 19.000 -1.239 0.000 0.823 35 A HN 0.375 nan 8.150 nan 0.000 0.442 36 A N -0.120 122.482 122.820 -0.363 0.000 1.933 36 A HA -0.183 4.140 4.320 0.004 0.000 0.218 36 A C 1.857 179.415 177.584 -0.042 0.000 1.175 36 A CA 1.672 53.694 52.037 -0.026 0.000 0.628 36 A CB -0.526 18.412 19.000 -0.104 0.000 0.814 36 A HN 0.637 nan 8.150 nan 0.000 0.444 37 E N -0.316 119.774 120.200 -0.185 0.000 2.418 37 E HA -0.035 4.318 4.350 0.004 0.000 0.197 37 E C 0.109 176.641 176.600 -0.112 0.000 1.026 37 E CA 0.349 56.667 56.400 -0.137 0.000 0.862 37 E CB 0.013 29.612 29.700 -0.167 0.000 0.799 37 E HN 0.501 nan 8.360 nan 0.000 0.518 38 N N -0.059 118.542 118.700 -0.165 0.000 2.480 38 N HA 0.087 4.830 4.740 0.004 0.000 0.281 38 N C -0.015 175.444 175.510 -0.084 0.000 1.381 38 N CA 0.337 53.335 53.050 -0.087 0.000 0.903 38 N CB 1.583 40.067 38.487 -0.005 0.000 1.274 38 N HN 0.146 nan 8.380 nan 0.000 0.505 39 G N 0.755 109.509 108.800 -0.077 0.000 2.221 39 G HA2 -0.294 3.669 3.960 0.004 0.000 0.265 39 G HA3 -0.294 3.669 3.960 0.004 0.000 0.265 39 G C 1.075 175.686 174.900 -0.481 0.000 1.041 39 G CA 0.724 45.740 45.100 -0.141 0.000 0.807 39 G HN 0.660 nan 8.290 nan 0.000 0.502 40 G N -0.220 108.157 108.800 -0.705 0.000 3.284 40 G HA2 -0.136 3.826 3.960 0.004 0.000 0.351 40 G HA3 -0.136 3.826 3.960 0.004 0.000 0.351 40 G C 2.078 176.591 174.900 -0.645 0.000 1.232 40 G CA 1.996 46.448 45.100 -1.081 0.000 1.001 40 G HN 1.984 nan 8.290 nan 0.000 0.639 41 G N 0.552 108.986 108.800 -0.610 0.000 2.534 41 G HA2 0.336 4.299 3.960 0.004 0.000 0.217 41 G HA3 0.336 4.299 3.960 0.004 0.000 0.217 41 G C 1.957 176.654 174.900 -0.338 0.000 1.128 41 G CA 2.168 47.021 45.100 -0.411 0.000 0.784 41 G HN 1.655 nan 8.290 nan 0.000 0.542 42 A N 0.305 122.939 122.820 -0.311 0.000 2.015 42 A HA 0.132 4.454 4.320 0.004 0.000 0.219 42 A C 2.004 179.452 177.584 -0.226 0.000 1.163 42 A CA 1.174 53.059 52.037 -0.253 0.000 0.646 42 A CB -0.385 18.509 19.000 -0.177 0.000 0.806 42 A HN 0.410 nan 8.150 nan 0.000 0.448 43 F N -0.424 119.312 119.950 -0.357 0.000 2.270 43 F HA -0.020 4.509 4.527 0.003 0.000 0.295 43 F C 2.065 177.698 175.800 -0.278 0.000 1.087 43 F CA 1.214 59.020 58.000 -0.323 0.000 1.365 43 F CB -0.059 38.737 39.000 -0.340 0.000 1.056 43 F HN 0.055 nan 8.300 nan 0.000 0.506 44 M N 0.197 119.637 119.600 -0.265 0.000 2.175 44 M HA -0.159 4.323 4.480 0.004 0.000 0.264 44 M C 2.174 178.355 176.300 -0.198 0.000 1.063 44 M CA 1.071 56.217 55.300 -0.257 0.000 1.119 44 M CB -1.087 31.307 32.600 -0.343 0.000 1.377 44 M HN 0.148 nan 8.290 nan 0.000 0.415 45 I N 0.549 120.960 120.570 -0.264 0.000 2.113 45 I HA -0.191 3.982 4.170 0.004 0.000 0.238 45 I C -0.358 175.569 176.117 -0.316 0.000 1.070 45 I CA 1.680 62.843 61.300 -0.228 0.000 1.332 45 I CB -2.991 34.856 38.000 -0.255 0.000 1.044 45 I HN 0.107 nan 8.210 nan 0.000 0.402 46 P HA -0.221 nan 4.420 nan 0.000 0.216 46 P C 1.941 178.985 177.300 -0.427 0.000 1.150 46 P CA 1.515 64.081 63.100 -0.890 0.000 0.843 46 P CB -0.255 30.643 31.700 -1.336 0.000 0.787 47 Y N 0.166 120.129 120.300 -0.563 0.000 2.145 47 Y HA -0.188 4.365 4.550 0.005 0.000 0.286 47 Y C 2.158 177.993 175.900 -0.107 0.000 1.145 47 Y CA 1.528 59.398 58.100 -0.382 0.000 1.148 47 Y CB -0.860 37.312 38.460 -0.480 0.000 0.981 47 Y HN -0.196 nan 8.280 nan 0.000 0.507 48 I N -0.263 120.343 120.570 0.061 0.000 2.179 48 I HA -0.334 3.838 4.170 0.004 0.000 0.242 48 I C 2.295 178.465 176.117 0.088 0.000 1.088 48 I CA 1.574 62.941 61.300 0.111 0.000 1.357 48 I CB -0.422 37.666 38.000 0.147 0.000 1.051 48 I HN 0.239 nan 8.210 nan 0.000 0.409 49 I N 0.782 121.369 120.570 0.028 0.000 2.163 49 I HA -0.330 3.843 4.170 0.004 0.000 0.243 49 I C 2.765 178.901 176.117 0.033 0.000 1.085 49 I CA 1.568 62.894 61.300 0.043 0.000 1.347 49 I CB -0.467 37.585 38.000 0.087 0.000 1.044 49 I HN 0.203 nan 8.210 nan 0.000 0.408 50 A N 0.296 123.137 122.820 0.035 0.000 1.972 50 A HA -0.254 4.068 4.320 0.004 0.000 0.219 50 A C 2.215 179.798 177.584 -0.002 0.000 1.169 50 A CA 1.395 53.479 52.037 0.078 0.000 0.635 50 A CB -0.928 18.140 19.000 0.112 0.000 0.810 50 A HN 0.483 nan 8.150 nan 0.000 0.446 51 F N 0.600 120.417 119.950 -0.221 0.000 2.134 51 F HA -0.111 4.419 4.527 0.005 0.000 0.299 51 F C 1.801 177.523 175.800 -0.130 0.000 1.097 51 F CA 1.676 59.533 58.000 -0.240 0.000 1.264 51 F CB -0.278 38.542 39.000 -0.299 0.000 1.001 51 F HN 0.138 nan 8.300 nan 0.000 0.479 52 L N -0.454 120.660 121.223 -0.182 0.000 2.109 52 L HA -0.141 4.201 4.340 0.004 0.000 0.207 52 L C 2.170 179.019 176.870 -0.035 0.000 1.086 52 L CA 0.924 55.665 54.840 -0.166 0.000 0.760 52 L CB -0.480 41.587 42.059 0.012 0.000 0.910 52 L HN 0.210 nan 8.230 nan 0.000 0.437 53 L N -1.897 119.306 121.223 -0.032 0.000 2.513 53 L HA 0.052 4.395 4.340 0.004 0.000 0.222 53 L C 1.682 178.568 176.870 0.027 0.000 1.096 53 L CA -0.022 54.828 54.840 0.017 0.000 0.857 53 L CB 0.508 42.524 42.059 -0.071 0.000 1.026 53 L HN 0.028 nan 8.230 nan 0.000 0.469 54 V N -1.487 118.408 119.914 -0.031 0.000 3.029 54 V HA 0.207 4.330 4.120 0.004 0.000 0.230 54 V C 2.289 178.239 176.094 -0.240 0.000 1.254 54 V CA 0.980 63.249 62.300 -0.052 0.000 1.276 54 V CB -0.214 31.656 31.823 0.078 0.000 1.080 54 V HN 0.297 nan 8.190 nan 0.000 0.495 55 G N 1.092 109.715 108.800 -0.295 0.000 2.453 55 G HA2 -0.179 3.784 3.960 0.004 0.000 0.215 55 G HA3 -0.179 3.784 3.960 0.004 0.000 0.215 55 G C 1.478 176.084 174.900 -0.491 0.000 1.201 55 G CA 1.214 46.100 45.100 -0.356 0.000 0.784 55 G HN 0.283 nan 8.290 nan 0.000 0.545 56 I N 2.373 122.500 120.570 -0.739 0.000 2.099 56 I HA -0.101 4.072 4.170 0.004 0.000 0.239 56 I C 0.278 175.846 176.117 -0.915 0.000 1.066 56 I CA 1.404 62.107 61.300 -0.995 0.000 1.324 56 I CB -1.975 35.340 38.000 -1.141 0.000 1.037 56 I HN 0.169 nan 8.210 nan 0.000 0.401 57 P HA -0.158 nan 4.420 nan 0.000 0.215 57 P C 2.307 179.541 177.300 -0.111 0.000 1.153 57 P CA 1.546 64.502 63.100 -0.239 0.000 0.853 57 P CB -0.071 31.588 31.700 -0.068 0.000 0.788 58 L N -1.956 119.165 121.223 -0.170 0.000 2.141 58 L HA -0.113 4.230 4.340 0.004 0.000 0.209 58 L C 2.766 179.602 176.870 -0.056 0.000 1.094 58 L CA 0.957 55.738 54.840 -0.098 0.000 0.763 58 L CB -0.653 41.305 42.059 -0.169 0.000 0.908 58 L HN -0.048 nan 8.230 nan 0.000 0.437 59 M N -0.683 118.820 119.600 -0.162 0.000 2.065 59 M HA -0.251 4.231 4.480 0.004 0.000 0.259 59 M C 1.944 178.307 176.300 0.106 0.000 1.069 59 M CA 2.044 57.302 55.300 -0.070 0.000 1.110 59 M CB -0.543 31.877 32.600 -0.301 0.000 1.328 59 M HN 0.157 nan 8.290 nan 0.000 0.405 60 W N 0.244 121.511 121.300 -0.056 0.000 2.358 60 W HA -0.106 4.556 4.660 0.005 0.000 0.303 60 W C 2.342 178.914 176.519 0.088 0.000 1.208 60 W CA 1.140 58.455 57.345 -0.050 0.000 1.274 60 W CB -1.288 28.091 29.460 -0.136 0.000 1.138 60 W HN 0.282 nan 8.180 nan 0.000 0.515 61 I N 0.299 121.058 120.570 0.315 0.000 2.208 61 I HA -0.298 3.875 4.170 0.004 0.000 0.245 61 I C 2.304 178.423 176.117 0.002 0.000 1.097 61 I CA 1.547 62.977 61.300 0.217 0.000 1.363 61 I CB -0.480 37.671 38.000 0.252 0.000 1.051 61 I HN -0.032 nan 8.210 nan 0.000 0.413 62 E N -0.355 119.901 120.200 0.093 0.000 2.107 62 E HA -0.216 4.136 4.350 0.004 0.000 0.191 62 E C 2.064 178.724 176.600 0.100 0.000 0.982 62 E CA 1.206 57.640 56.400 0.058 0.000 0.809 62 E CB -0.145 29.606 29.700 0.084 0.000 0.756 62 E HN 0.493 nan 8.360 nan 0.000 0.459 63 W N 1.159 122.472 121.300 0.022 0.000 2.358 63 W HA -0.143 4.519 4.660 0.004 0.000 0.303 63 W C 2.568 179.108 176.519 0.035 0.000 1.208 63 W CA 1.366 58.747 57.345 0.060 0.000 1.274 63 W CB -0.599 28.926 29.460 0.108 0.000 1.138 63 W HN 0.078 nan 8.180 nan 0.000 0.515 64 A N -0.226 122.733 122.820 0.232 0.000 1.858 64 A HA -0.240 4.082 4.320 0.004 0.000 0.216 64 A C 1.966 179.518 177.584 -0.052 0.000 1.190 64 A CA 2.181 54.278 52.037 0.099 0.000 0.617 64 A CB -0.928 18.139 19.000 0.111 0.000 0.827 64 A HN 0.260 nan 8.150 nan 0.000 0.443 65 M N -0.567 118.856 119.600 -0.294 0.000 2.117 65 M HA -0.098 4.384 4.480 0.004 0.000 0.262 65 M C 2.297 178.590 176.300 -0.012 0.000 1.065 65 M CA 1.407 56.545 55.300 -0.271 0.000 1.114 65 M CB -0.595 31.799 32.600 -0.344 0.000 1.361 65 M HN 0.529 nan 8.290 nan 0.000 0.408 66 G N -0.024 108.772 108.800 -0.007 0.000 2.453 66 G HA2 -0.234 3.728 3.960 0.004 0.000 0.215 66 G HA3 -0.234 3.728 3.960 0.004 0.000 0.215 66 G C 1.564 176.480 174.900 0.026 0.000 1.201 66 G CA 0.867 45.965 45.100 -0.003 0.000 0.784 66 G HN 0.373 nan 8.290 nan 0.000 0.545 67 R N -0.936 119.616 120.500 0.086 0.000 2.091 67 R HA -0.153 4.189 4.340 0.004 0.000 0.238 67 R C 2.291 178.665 176.300 0.124 0.000 1.136 67 R CA 1.596 57.769 56.100 0.121 0.000 0.959 67 R CB -0.540 29.870 30.300 0.184 0.000 0.856 67 R HN 0.451 nan 8.270 nan 0.000 0.437 68 Y N 0.268 120.585 120.300 0.029 0.000 2.165 68 Y HA -0.117 4.435 4.550 0.004 0.000 0.286 68 Y C 2.074 177.986 175.900 0.020 0.000 1.155 68 Y CA 1.960 60.078 58.100 0.030 0.000 1.164 68 Y CB -0.681 37.785 38.460 0.010 0.000 0.978 68 Y HN 0.159 nan 8.280 nan 0.000 0.513 69 G N -0.744 108.098 108.800 0.071 0.000 2.404 69 G HA2 -0.210 3.752 3.960 0.004 0.000 0.215 69 G HA3 -0.210 3.752 3.960 0.004 0.000 0.215 69 G C 1.899 176.758 174.900 -0.069 0.000 1.174 69 G CA 0.667 45.775 45.100 0.012 0.000 0.780 69 G HN 0.594 nan 8.290 nan 0.000 0.537 70 G N 1.108 109.853 108.800 -0.091 0.000 2.422 70 G HA2 0.038 4.001 3.960 0.004 0.000 0.218 70 G HA3 0.038 4.001 3.960 0.004 0.000 0.218 70 G C 2.016 176.844 174.900 -0.119 0.000 1.146 70 G CA 1.457 46.464 45.100 -0.155 0.000 0.769 70 G HN 0.654 nan 8.290 nan 0.000 0.547 71 A N 0.216 122.986 122.820 -0.083 0.000 2.024 71 A HA -0.065 4.258 4.320 0.004 0.000 0.220 71 A C 2.176 179.688 177.584 -0.121 0.000 1.164 71 A CA 1.700 53.694 52.037 -0.071 0.000 0.643 71 A CB -0.203 18.753 19.000 -0.073 0.000 0.806 71 A HN 0.504 nan 8.150 nan 0.000 0.451 72 Q N -1.935 117.760 119.800 -0.174 0.000 2.247 72 Q HA 0.346 4.688 4.340 0.004 0.000 0.204 72 Q C 0.821 176.636 176.000 -0.308 0.000 0.872 72 Q CA 0.257 55.952 55.803 -0.181 0.000 0.951 72 Q CB 0.547 29.200 28.738 -0.142 0.000 1.099 72 Q HN 0.828 nan 8.270 nan 0.000 0.501 73 G N 1.409 110.020 108.800 -0.315 0.000 2.132 73 G HA2 -0.187 3.775 3.960 0.004 0.000 0.234 73 G HA3 -0.187 3.775 3.960 0.004 0.000 0.234 73 G C -0.412 174.158 174.900 -0.551 0.000 0.989 73 G CA -0.392 44.455 45.100 -0.422 0.000 0.676 73 G HN 0.386 nan 8.290 nan 0.000 0.522 74 H N -0.611 118.386 119.070 -0.122 0.000 2.646 74 H HA 0.554 5.112 4.556 0.004 0.000 0.328 74 H C 1.094 176.347 175.328 -0.125 0.000 0.998 74 H CA -0.029 55.957 56.048 -0.102 0.000 1.225 74 H CB 1.408 31.141 29.762 -0.049 0.000 1.457 74 H HN 0.218 nan 8.280 nan 0.000 0.505 75 G N 2.172 110.959 108.800 -0.021 0.000 2.744 75 G HA2 -0.033 3.930 3.960 0.004 0.000 0.211 75 G HA3 -0.033 3.930 3.960 0.004 0.000 0.211 75 G C 0.596 175.486 174.900 -0.017 0.000 1.146 75 G CA 0.449 45.483 45.100 -0.111 0.000 0.787 75 G HN 0.592 nan 8.290 nan 0.000 0.534 76 T N -3.481 111.101 114.554 0.047 0.000 2.930 76 T HA 0.447 4.799 4.350 0.004 0.000 0.290 76 T C 1.494 176.194 174.700 -0.000 0.000 1.052 76 T CA 0.440 62.566 62.100 0.043 0.000 1.017 76 T CB 1.547 70.478 68.868 0.105 0.000 1.137 76 T HN 0.009 nan 8.240 nan 0.000 0.511 77 T N -1.975 112.523 114.554 -0.094 0.000 2.867 77 T HA 0.061 4.414 4.350 0.004 0.000 0.268 77 T C -1.044 173.483 174.700 -0.287 0.000 1.057 77 T CA 0.795 62.713 62.100 -0.304 0.000 1.136 77 T CB -1.778 66.761 68.868 -0.548 0.000 0.874 77 T HN 0.441 nan 8.240 nan 0.000 0.466 78 P HA -0.024 nan 4.420 nan 0.000 0.215 78 P C 1.818 179.127 177.300 0.015 0.000 1.157 78 P CA 1.731 64.791 63.100 -0.067 0.000 0.874 78 P CB -0.358 31.317 31.700 -0.042 0.000 0.790 79 A N -1.164 121.645 122.820 -0.018 0.000 1.898 79 A HA -0.097 4.225 4.320 0.004 0.000 0.214 79 A C 2.229 179.847 177.584 0.056 0.000 1.183 79 A CA 1.152 53.124 52.037 -0.108 0.000 0.622 79 A CB -1.513 17.217 19.000 -0.449 0.000 0.824 79 A HN 0.076 nan 8.150 nan 0.000 0.444 80 I N -1.342 119.291 120.570 0.105 0.000 2.226 80 I HA -0.226 3.947 4.170 0.004 0.000 0.245 80 I C 2.150 178.488 176.117 0.370 0.000 1.100 80 I CA 1.114 62.542 61.300 0.213 0.000 1.374 80 I CB -0.340 37.764 38.000 0.173 0.000 1.057 80 I HN 0.236 nan 8.210 nan 0.000 0.413 81 F N -0.041 119.990 119.950 0.135 0.000 2.216 81 F HA -0.253 4.276 4.527 0.004 0.000 0.300 81 F C 2.440 178.379 175.800 0.233 0.000 1.085 81 F CA 1.138 59.246 58.000 0.179 0.000 1.326 81 F CB -1.207 37.907 39.000 0.190 0.000 1.027 81 F HN 0.107 nan 8.300 nan 0.000 0.497 82 Y N 0.083 120.538 120.300 0.259 0.000 2.263 82 Y HA -0.096 4.457 4.550 0.004 0.000 0.292 82 Y C 2.148 178.146 175.900 0.165 0.000 1.130 82 Y CA 1.197 59.380 58.100 0.138 0.000 1.179 82 Y CB -0.439 38.042 38.460 0.035 0.000 0.998 82 Y HN -0.041 nan 8.280 nan 0.000 0.532 83 L N -0.602 120.743 121.223 0.203 0.000 2.083 83 L HA -0.241 4.101 4.340 0.004 0.000 0.209 83 L C 2.116 179.110 176.870 0.208 0.000 1.083 83 L CA 1.257 56.210 54.840 0.187 0.000 0.752 83 L CB -0.490 41.735 42.059 0.276 0.000 0.899 83 L HN 0.270 nan 8.230 nan 0.000 0.433 84 L N -2.493 118.836 121.223 0.177 0.000 2.341 84 L HA -0.047 4.295 4.340 0.004 0.000 0.214 84 L C 0.298 177.386 176.870 0.363 0.000 1.115 84 L CA 0.149 55.060 54.840 0.118 0.000 0.820 84 L CB 0.020 42.040 42.059 -0.066 0.000 0.944 84 L HN 0.303 nan 8.230 nan 0.000 0.452 85 W N 1.075 122.402 121.300 0.045 0.000 2.642 85 W HA 0.311 4.973 4.660 0.004 0.000 0.304 85 W C -0.379 176.072 176.519 -0.113 0.000 1.023 85 W CA -1.382 55.975 57.345 0.021 0.000 1.290 85 W CB 0.646 30.137 29.460 0.051 0.000 1.190 85 W HN -0.211 nan 8.180 nan 0.000 0.374 86 R N 4.509 124.927 120.500 -0.136 0.000 4.113 86 R HA 0.074 4.417 4.340 0.004 0.000 0.179 86 R C -0.213 175.860 176.300 -0.378 0.000 1.781 86 R CA 0.149 55.893 56.100 -0.594 0.000 1.402 86 R CB -0.782 29.313 30.300 -0.342 0.000 1.375 86 R HN 0.333 nan 8.270 nan 0.000 0.786 87 N N 0.506 118.957 118.700 -0.414 0.000 2.287 87 N HA 0.096 4.838 4.740 0.004 0.000 0.289 87 N C 0.680 176.148 175.510 -0.070 0.000 1.066 87 N CA -0.516 52.303 53.050 -0.385 0.000 0.841 87 N CB 1.846 39.588 38.487 -1.241 0.000 1.599 87 N HN 0.025 nan 8.380 nan 0.000 0.476 88 R N 2.405 122.916 120.500 0.019 0.000 2.117 88 R HA -0.069 4.274 4.340 0.004 0.000 0.243 88 R C 1.522 177.860 176.300 0.063 0.000 1.143 88 R CA 1.726 57.855 56.100 0.048 0.000 0.968 88 R CB -0.782 29.554 30.300 0.061 0.000 0.863 88 R HN 0.598 nan 8.270 nan 0.000 0.444 89 F N 0.452 120.305 119.950 -0.162 0.000 2.365 89 F HA 0.103 4.632 4.527 0.004 0.000 0.300 89 F C 1.928 177.714 175.800 -0.022 0.000 1.090 89 F CA 0.888 58.839 58.000 -0.083 0.000 1.408 89 F CB -0.495 38.463 39.000 -0.070 0.000 1.060 89 F HN 0.168 nan 8.300 nan 0.000 0.534 90 A N -0.055 122.654 122.820 -0.184 0.000 1.930 90 A HA -0.181 4.142 4.320 0.004 0.000 0.217 90 A C 2.276 179.992 177.584 0.221 0.000 1.175 90 A CA 1.575 53.659 52.037 0.079 0.000 0.627 90 A CB -0.540 18.523 19.000 0.104 0.000 0.815 90 A HN 0.387 nan 8.150 nan 0.000 0.443 91 K N -0.475 119.991 120.400 0.109 0.000 2.097 91 K HA -0.028 4.294 4.320 0.004 0.000 0.206 91 K C 1.703 178.292 176.600 -0.019 0.000 1.049 91 K CA 1.476 57.784 56.287 0.035 0.000 0.933 91 K CB -0.292 32.166 32.500 -0.070 0.000 0.717 91 K HN 0.540 nan 8.250 nan 0.000 0.442 92 I N 0.800 121.344 120.570 -0.043 0.000 2.233 92 I HA -0.249 3.924 4.170 0.004 0.000 0.243 92 I C 2.035 178.152 176.117 -0.001 0.000 1.093 92 I CA 0.998 62.258 61.300 -0.068 0.000 1.380 92 I CB -0.145 37.837 38.000 -0.030 0.000 1.067 92 I HN 0.096 nan 8.210 nan 0.000 0.413 93 L N 0.470 121.703 121.223 0.016 0.000 2.079 93 L HA -0.160 4.183 4.340 0.004 0.000 0.210 93 L C 2.599 179.794 176.870 0.542 0.000 1.081 93 L CA 1.484 56.562 54.840 0.396 0.000 0.752 93 L CB -1.088 41.182 42.059 0.350 0.000 0.896 93 L HN 0.338 nan 8.230 nan 0.000 0.433 94 G N -0.611 108.350 108.800 0.268 0.000 2.470 94 G HA2 -0.172 3.791 3.960 0.004 0.000 0.220 94 G HA3 -0.172 3.791 3.960 0.004 0.000 0.220 94 G C 1.570 176.354 174.900 -0.193 0.000 1.121 94 G CA 0.701 45.708 45.100 -0.155 0.000 0.766 94 G HN 0.220 nan 8.290 nan 0.000 0.553 95 V N 0.366 120.135 119.914 -0.241 0.000 2.490 95 V HA -0.158 3.965 4.120 0.004 0.000 0.250 95 V C 2.440 178.255 176.094 -0.465 0.000 1.061 95 V CA 1.414 63.389 62.300 -0.542 0.000 1.064 95 V CB -0.639 30.589 31.823 -0.992 0.000 0.670 95 V HN 0.346 nan 8.190 nan 0.000 0.461 96 F N 1.435 121.286 119.950 -0.166 0.000 2.192 96 F HA -0.118 4.412 4.527 0.004 0.000 0.301 96 F C 2.353 177.780 175.800 -0.622 0.000 1.079 96 F CA 1.603 59.505 58.000 -0.163 0.000 1.303 96 F CB -1.035 37.918 39.000 -0.079 0.000 1.024 96 F HN 0.244 nan 8.300 nan 0.000 0.494 97 G N -0.933 107.471 108.800 -0.660 0.000 2.776 97 G HA2 -0.004 3.959 3.960 0.004 0.000 0.209 97 G HA3 -0.004 3.959 3.960 0.004 0.000 0.209 97 G C 1.455 176.214 174.900 -0.236 0.000 1.145 97 G CA 0.357 45.146 45.100 -0.518 0.000 0.791 97 G HN 0.354 nan 8.290 nan 0.000 0.530 98 L N -2.414 118.667 121.223 -0.237 0.000 2.467 98 L HA 0.273 4.616 4.340 0.004 0.000 0.213 98 L C 2.334 179.141 176.870 -0.105 0.000 1.053 98 L CA -0.202 54.516 54.840 -0.204 0.000 0.847 98 L CB -0.144 41.692 42.059 -0.372 0.000 1.075 98 L HN 0.328 nan 8.230 nan 0.000 0.479 99 W N 1.719 122.852 121.300 -0.279 0.000 2.354 99 W HA -0.161 4.501 4.660 0.004 0.000 0.315 99 W C 2.179 178.681 176.519 -0.028 0.000 1.206 99 W CA 1.676 58.930 57.345 -0.152 0.000 1.290 99 W CB -0.155 29.219 29.460 -0.143 0.000 1.152 99 W HN -0.058 nan 8.180 nan 0.000 0.489 100 I N 1.717 122.309 120.570 0.036 0.000 2.091 100 I HA -0.306 3.866 4.170 0.004 0.000 0.239 100 I C -0.329 175.727 176.117 -0.102 0.000 1.061 100 I CA 1.901 63.131 61.300 -0.116 0.000 1.317 100 I CB -1.975 35.970 38.000 -0.091 0.000 1.031 100 I HN -0.052 nan 8.210 nan 0.000 0.401 101 P HA -0.147 nan 4.420 nan 0.000 0.221 101 P C 1.841 179.101 177.300 -0.067 0.000 1.150 101 P CA 1.233 64.334 63.100 0.002 0.000 0.800 101 P CB 0.065 31.762 31.700 -0.005 0.000 0.787 102 L N -0.045 121.122 121.223 -0.094 0.000 2.023 102 L HA -0.092 4.251 4.340 0.004 0.000 0.205 102 L C 2.588 179.404 176.870 -0.090 0.000 1.073 102 L CA 1.593 56.392 54.840 -0.068 0.000 0.745 102 L CB -1.199 40.832 42.059 -0.046 0.000 0.900 102 L HN -0.245 nan 8.230 nan 0.000 0.435 103 V N -1.243 118.532 119.914 -0.231 0.000 2.295 103 V HA -0.287 3.836 4.120 0.004 0.000 0.246 103 V C 2.455 178.545 176.094 -0.006 0.000 1.049 103 V CA 1.683 63.873 62.300 -0.184 0.000 1.024 103 V CB -0.564 30.939 31.823 -0.533 0.000 0.648 103 V HN 0.312 nan 8.190 nan 0.000 0.447 104 V N 0.388 120.272 119.914 -0.049 0.000 2.287 104 V HA -0.280 3.843 4.120 0.004 0.000 0.248 104 V C 2.738 178.586 176.094 -0.410 0.000 1.053 104 V CA 2.058 64.254 62.300 -0.173 0.000 1.027 104 V CB -1.220 30.623 31.823 0.034 0.000 0.646 104 V HN 0.569 nan 8.190 nan 0.000 0.447 105 A N -0.200 122.506 122.820 -0.190 0.000 1.940 105 A HA -0.215 4.108 4.320 0.004 0.000 0.219 105 A C 2.169 179.752 177.584 -0.001 0.000 1.176 105 A CA 2.019 53.997 52.037 -0.099 0.000 0.631 105 A CB -0.626 18.346 19.000 -0.047 0.000 0.814 105 A HN 0.533 nan 8.150 nan 0.000 0.446 106 I N -1.212 119.379 120.570 0.036 0.000 2.286 106 I HA -0.296 3.877 4.170 0.004 0.000 0.248 106 I C 2.403 178.626 176.117 0.176 0.000 1.115 106 I CA 1.866 63.248 61.300 0.137 0.000 1.392 106 I CB -0.276 37.823 38.000 0.165 0.000 1.065 106 I HN 0.742 nan 8.210 nan 0.000 0.418 107 Y N -2.468 117.922 120.300 0.150 0.000 2.524 107 Y HA 0.045 4.597 4.550 0.004 0.000 0.270 107 Y C 2.267 178.246 175.900 0.131 0.000 1.094 107 Y CA -0.053 58.130 58.100 0.137 0.000 1.276 107 Y CB -1.101 37.441 38.460 0.138 0.000 1.130 107 Y HN 0.006 nan 8.280 nan 0.000 0.536 108 Y N 1.485 121.536 120.300 -0.414 0.000 2.114 108 Y HA -0.179 4.374 4.550 0.004 0.000 0.284 108 Y C 2.382 178.218 175.900 -0.106 0.000 1.143 108 Y CA 2.286 60.224 58.100 -0.270 0.000 1.135 108 Y CB -0.385 37.863 38.460 -0.352 0.000 0.980 108 Y HN 0.018 nan 8.280 nan 0.000 0.499 109 V N -0.450 119.556 119.914 0.154 0.000 2.469 109 V HA -0.323 3.800 4.120 0.004 0.000 0.251 109 V C 1.956 178.198 176.094 0.246 0.000 1.064 109 V CA 2.111 64.512 62.300 0.169 0.000 1.066 109 V CB -1.090 30.847 31.823 0.191 0.000 0.667 109 V HN 0.522 nan 8.190 nan 0.000 0.461 110 Y N 0.668 121.022 120.300 0.090 0.000 2.163 110 Y HA -0.149 4.403 4.550 0.005 0.000 0.288 110 Y C 2.236 177.737 175.900 -0.667 0.000 1.136 110 Y CA 1.310 59.363 58.100 -0.080 0.000 1.147 110 Y CB -0.328 37.990 38.460 -0.238 0.000 0.987 110 Y HN 0.203 nan 8.280 nan 0.000 0.509 111 I N 0.128 120.080 120.570 -1.030 0.000 2.226 111 I HA -0.306 3.867 4.170 0.004 0.000 0.245 111 I C 2.507 178.171 176.117 -0.755 0.000 1.100 111 I CA 1.898 62.235 61.300 -1.606 0.000 1.374 111 I CB -0.584 36.803 38.000 -1.021 0.000 1.057 111 I HN 0.267 nan 8.210 nan 0.000 0.413 112 E N 1.274 121.224 120.200 -0.417 0.000 2.097 112 E HA -0.290 4.063 4.350 0.004 0.000 0.196 112 E C 2.255 178.933 176.600 0.130 0.000 1.000 112 E CA 2.017 58.349 56.400 -0.112 0.000 0.804 112 E CB -0.006 29.642 29.700 -0.088 0.000 0.740 112 E HN 0.564 nan 8.360 nan 0.000 0.454 113 S N -0.406 115.352 115.700 0.096 0.000 2.423 113 S HA -0.133 4.340 4.470 0.004 0.000 0.231 113 S C 1.645 176.443 174.600 0.330 0.000 1.014 113 S CA 0.734 59.085 58.200 0.251 0.000 0.965 113 S CB -0.620 62.807 63.200 0.380 0.000 0.785 113 S HN 0.414 nan 8.310 nan 0.000 0.495 114 W N 2.985 124.309 121.300 0.040 0.000 2.363 114 W HA 0.004 4.666 4.660 0.004 0.000 0.296 114 W C 2.998 179.547 176.519 0.050 0.000 1.212 114 W CA 1.360 58.699 57.345 -0.010 0.000 1.260 114 W CB -1.886 27.320 29.460 -0.423 0.000 1.131 114 W HN 0.626 nan 8.180 nan 0.000 0.530 115 T N -1.080 113.693 114.554 0.365 0.000 2.821 115 T HA -0.170 4.183 4.350 0.004 0.000 0.267 115 T C 1.949 176.800 174.700 0.252 0.000 1.046 115 T CA 1.337 63.622 62.100 0.308 0.000 1.139 115 T CB -0.751 68.280 68.868 0.271 0.000 0.871 115 T HN -0.012 nan 8.240 nan 0.000 0.454 116 L N 2.109 123.434 121.223 0.169 0.000 2.027 116 L HA 0.296 4.639 4.340 0.004 0.000 0.206 116 L C 2.744 179.696 176.870 0.137 0.000 1.074 116 L CA 2.054 56.844 54.840 -0.083 0.000 0.745 116 L CB -1.279 40.508 42.059 -0.453 0.000 0.898 116 L HN 0.376 nan 8.230 nan 0.000 0.433 117 G N -1.051 107.889 108.800 0.234 0.000 2.446 117 G HA2 -0.315 3.648 3.960 0.004 0.000 0.217 117 G HA3 -0.315 3.648 3.960 0.004 0.000 0.217 117 G C 1.438 176.613 174.900 0.457 0.000 1.168 117 G CA 1.050 46.378 45.100 0.380 0.000 0.771 117 G HN 0.387 nan 8.290 nan 0.000 0.551 118 F N 1.778 121.714 119.950 -0.024 0.000 2.146 118 F HA 0.112 4.642 4.527 0.004 0.000 0.298 118 F C 3.041 178.977 175.800 0.227 0.000 1.096 118 F CA 0.584 58.540 58.000 -0.072 0.000 1.275 118 F CB -0.715 37.683 39.000 -1.002 0.000 1.008 118 F HN 0.249 nan 8.300 nan 0.000 0.480 119 A N 0.610 123.675 122.820 0.408 0.000 1.873 119 A HA -0.224 4.098 4.320 0.004 0.000 0.218 119 A C 2.309 180.252 177.584 0.597 0.000 1.193 119 A CA 2.144 54.516 52.037 0.557 0.000 0.629 119 A CB -1.242 18.015 19.000 0.429 0.000 0.826 119 A HN 0.371 nan 8.150 nan 0.000 0.447 120 I N -0.621 120.211 120.570 0.436 0.000 2.127 120 I HA -0.312 3.861 4.170 0.004 0.000 0.241 120 I C 2.511 178.790 176.117 0.270 0.000 1.075 120 I CA 1.966 63.474 61.300 0.346 0.000 1.334 120 I CB -0.320 37.932 38.000 0.420 0.000 1.040 120 I HN 0.308 nan 8.210 nan 0.000 0.405 121 K N -0.000 120.574 120.400 0.290 0.000 2.147 121 K HA -0.133 4.190 4.320 0.004 0.000 0.205 121 K C 1.998 178.634 176.600 0.060 0.000 1.049 121 K CA 1.403 57.753 56.287 0.106 0.000 0.936 121 K CB -0.159 32.393 32.500 0.087 0.000 0.722 121 K HN 0.149 nan 8.250 nan 0.000 0.446 122 F N 0.485 120.532 119.950 0.161 0.000 2.234 122 F HA -0.081 4.448 4.527 0.004 0.000 0.296 122 F C 2.032 177.913 175.800 0.135 0.000 1.089 122 F CA 0.486 58.606 58.000 0.201 0.000 1.343 122 F CB -0.224 39.014 39.000 0.397 0.000 1.040 122 F HN -0.069 nan 8.300 nan 0.000 0.498 123 L N -0.421 120.928 121.223 0.209 0.000 2.046 123 L HA -0.120 4.222 4.340 0.004 0.000 0.208 123 L C 1.895 178.725 176.870 -0.066 0.000 1.077 123 L CA 1.527 56.274 54.840 -0.154 0.000 0.747 123 L CB -0.503 41.250 42.059 -0.509 0.000 0.896 123 L HN -0.057 nan 8.230 nan 0.000 0.432 124 V N -0.172 119.727 119.914 -0.024 0.000 3.541 124 V HA 0.264 4.386 4.120 0.004 0.000 0.267 124 V C 1.679 177.740 176.094 -0.054 0.000 1.213 124 V CA 0.761 63.036 62.300 -0.041 0.000 1.149 124 V CB -0.730 31.071 31.823 -0.037 0.000 0.822 124 V HN 0.694 nan 8.190 nan 0.000 0.462 125 G N 0.844 109.609 108.800 -0.059 0.000 2.143 125 G HA2 -0.266 3.696 3.960 0.004 0.000 0.248 125 G HA3 -0.266 3.696 3.960 0.004 0.000 0.248 125 G C 0.248 175.044 174.900 -0.172 0.000 0.991 125 G CA 0.174 45.212 45.100 -0.103 0.000 0.689 125 G HN 0.489 nan 8.290 nan 0.000 0.522 126 L N 1.025 122.136 121.223 -0.186 0.000 2.437 126 L HA 0.445 4.787 4.340 0.004 0.000 0.243 126 L C 0.810 177.492 176.870 -0.314 0.000 1.346 126 L CA -0.412 54.310 54.840 -0.197 0.000 1.233 126 L CB -0.060 41.905 42.059 -0.156 0.000 1.436 126 L HN 0.306 nan 8.230 nan 0.000 0.416 127 V N -1.339 118.298 119.914 -0.462 0.000 3.040 127 V HA 0.728 4.850 4.120 0.004 0.000 0.312 127 V C -2.413 173.295 176.094 -0.644 0.000 1.115 127 V CA -2.003 59.793 62.300 -0.839 0.000 0.998 127 V CB 1.608 32.765 31.823 -1.111 0.000 1.042 127 V HN 0.115 nan 8.190 nan 0.000 0.433 128 P HA 0.484 nan 4.420 nan 0.000 0.274 128 P C -0.911 176.086 177.300 -0.504 0.000 1.246 128 P CA -0.083 62.623 63.100 -0.656 0.000 0.795 128 P CB 0.871 32.043 31.700 -0.879 0.000 1.006 129 E N 0.476 120.504 120.200 -0.285 0.000 2.293 129 E HA 0.435 4.788 4.350 0.004 0.000 0.270 129 E C -2.385 174.196 176.600 -0.032 0.000 0.879 129 E CA -1.887 54.455 56.400 -0.096 0.000 0.756 129 E CB 1.044 30.708 29.700 -0.059 0.000 1.208 129 E HN 0.352 nan 8.360 nan 0.000 0.428 130 P HA 0.132 nan 4.420 nan 0.000 0.271 130 P C -2.187 175.144 177.300 0.051 0.000 1.218 130 P CA -0.897 62.262 63.100 0.099 0.000 0.780 130 P CB -0.175 31.617 31.700 0.153 0.000 0.901 138 D N 1.029 121.489 120.400 0.101 0.000 2.271 138 D HA -0.011 4.632 4.640 0.004 0.000 0.206 138 D C 1.641 177.985 176.300 0.073 0.000 0.967 138 D CA 1.566 55.602 54.000 0.060 0.000 0.867 138 D CB 0.311 41.129 40.800 0.031 0.000 0.960 138 D HN 0.400 nan 8.370 nan 0.000 0.509 139 S N 0.128 115.877 115.700 0.082 0.000 2.481 139 S HA -0.018 4.455 4.470 0.004 0.000 0.231 139 S C 2.091 176.760 174.600 0.115 0.000 0.996 139 S CA 0.303 58.550 58.200 0.079 0.000 0.942 139 S CB -0.217 63.022 63.200 0.065 0.000 0.768 139 S HN 0.217 nan 8.310 nan 0.000 0.520 140 I N 0.687 121.348 120.570 0.152 0.000 2.400 140 I HA 0.035 4.207 4.170 0.004 0.000 0.248 140 I C 2.212 178.482 176.117 0.255 0.000 1.109 140 I CA 0.798 62.220 61.300 0.203 0.000 1.425 140 I CB -0.183 37.943 38.000 0.211 0.000 1.094 140 I HN 0.233 nan 8.210 nan 0.000 0.425 141 L N 0.068 121.405 121.223 0.189 0.000 2.162 141 L HA -0.040 4.302 4.340 0.004 0.000 0.205 141 L C 2.708 179.683 176.870 0.175 0.000 1.086 141 L CA 0.777 55.717 54.840 0.166 0.000 0.778 141 L CB -0.431 41.652 42.059 0.040 0.000 0.928 141 L HN 0.137 nan 8.230 nan 0.000 0.446 142 R N 0.461 121.022 120.500 0.103 0.000 2.083 142 R HA -0.173 4.170 4.340 0.004 0.000 0.237 142 R C -0.472 175.847 176.300 0.031 0.000 1.137 142 R CA 1.829 57.953 56.100 0.038 0.000 0.951 142 R CB -1.049 29.261 30.300 0.017 0.000 0.851 142 R HN 0.242 nan 8.270 nan 0.000 0.434 143 P HA -0.118 nan 4.420 nan 0.000 0.218 143 P C 0.581 177.796 177.300 -0.142 0.000 1.149 143 P CA 1.335 64.374 63.100 -0.102 0.000 0.817 143 P CB -0.041 31.526 31.700 -0.221 0.000 0.785 144 F N -0.141 119.851 119.950 0.070 0.000 2.335 144 F HA 0.051 4.581 4.527 0.005 0.000 0.296 144 F C 2.402 178.317 175.800 0.192 0.000 1.091 144 F CA 0.941 59.040 58.000 0.166 0.000 1.399 144 F CB -0.507 38.592 39.000 0.166 0.000 1.067 144 F HN -0.198 nan 8.300 nan 0.000 0.520 145 K N 1.005 121.514 120.400 0.181 0.000 2.002 145 K HA -0.209 4.114 4.320 0.004 0.000 0.209 145 K C 1.775 178.229 176.600 -0.243 0.000 1.048 145 K CA 1.927 58.144 56.287 -0.118 0.000 0.930 145 K CB -0.181 32.164 32.500 -0.258 0.000 0.714 145 K HN 0.300 nan 8.250 nan 0.000 0.438 146 E N -0.405 119.732 120.200 -0.104 0.000 2.150 146 E HA -0.184 4.169 4.350 0.004 0.000 0.193 146 E C 1.844 178.505 176.600 0.102 0.000 0.985 146 E CA 0.939 57.325 56.400 -0.025 0.000 0.814 146 E CB -0.183 29.511 29.700 -0.011 0.000 0.752 146 E HN 0.290 nan 8.360 nan 0.000 0.466 147 F N 1.463 121.402 119.950 -0.018 0.000 2.102 147 F HA -0.189 4.341 4.527 0.004 0.000 0.298 147 F C 2.091 177.964 175.800 0.122 0.000 1.105 147 F CA 1.093 59.087 58.000 -0.011 0.000 1.239 147 F CB -0.157 38.789 39.000 -0.089 0.000 0.991 147 F HN -0.005 nan 8.300 nan 0.000 0.474 148 L N -0.760 120.650 121.223 0.312 0.000 2.093 148 L HA -0.180 4.163 4.340 0.004 0.000 0.208 148 L C 2.043 179.050 176.870 0.228 0.000 1.085 148 L CA 1.709 56.746 54.840 0.328 0.000 0.755 148 L CB -1.191 41.128 42.059 0.434 0.000 0.904 148 L HN 0.129 nan 8.230 nan 0.000 0.435 149 Y N -0.161 120.135 120.300 -0.006 0.000 2.242 149 Y HA -0.121 4.432 4.550 0.004 0.000 0.291 149 Y C 2.826 178.678 175.900 -0.081 0.000 1.137 149 Y CA 1.028 59.096 58.100 -0.053 0.000 1.181 149 Y CB -1.135 37.318 38.460 -0.012 0.000 0.989 149 Y HN 0.253 nan 8.280 nan 0.000 0.527 150 S N -1.006 114.744 115.700 0.083 0.000 2.383 150 S HA -0.199 4.274 4.470 0.004 0.000 0.227 150 S C 1.832 176.388 174.600 -0.073 0.000 1.026 150 S CA 1.025 59.215 58.200 -0.017 0.000 0.981 150 S CB -0.682 62.492 63.200 -0.045 0.000 0.818 150 S HN 0.544 nan 8.310 nan 0.000 0.472 151 Y N 2.976 123.134 120.300 -0.237 0.000 2.133 151 Y HA -0.077 4.475 4.550 0.005 0.000 0.287 151 Y C 2.014 177.762 175.900 -0.253 0.000 1.134 151 Y CA 1.736 59.682 58.100 -0.256 0.000 1.133 151 Y CB -0.265 38.014 38.460 -0.302 0.000 0.987 151 Y HN 0.309 nan 8.280 nan 0.000 0.502 152 I N -2.923 117.494 120.570 -0.256 0.000 3.226 152 I HA 0.331 4.503 4.170 0.004 0.000 0.277 152 I C 1.425 177.381 176.117 -0.268 0.000 1.243 152 I CA 0.834 61.892 61.300 -0.404 0.000 1.459 152 I CB -0.490 37.084 38.000 -0.710 0.000 1.093 152 I HN 0.326 nan 8.210 nan 0.000 0.453 153 G N 2.294 110.972 108.800 -0.205 0.000 2.204 153 G HA2 -0.198 3.764 3.960 0.004 0.000 0.244 153 G HA3 -0.198 3.764 3.960 0.004 0.000 0.244 153 G C 0.080 174.878 174.900 -0.170 0.000 1.062 153 G CA 0.096 45.105 45.100 -0.151 0.000 0.798 153 G HN 0.271 nan 8.290 nan 0.000 0.496 154 V N 1.149 120.912 119.914 -0.252 0.000 2.681 154 V HA 0.124 4.247 4.120 0.004 0.000 0.306 154 V C -0.869 175.101 176.094 -0.206 0.000 1.077 154 V CA -0.071 62.020 62.300 -0.348 0.000 1.224 154 V CB 0.528 31.862 31.823 -0.815 0.000 0.879 154 V HN 0.344 nan 8.190 nan 0.000 0.494 155 P HA 0.066 nan 4.420 nan 0.000 0.262 155 P C 0.224 177.482 177.300 -0.070 0.000 1.182 155 P CA 0.291 63.330 63.100 -0.103 0.000 0.761 155 P CB 0.382 32.014 31.700 -0.112 0.000 0.795 156 K N 1.389 121.770 120.400 -0.032 0.000 2.334 156 K HA 0.179 4.501 4.320 0.004 0.000 0.195 156 K C 1.328 177.928 176.600 0.001 0.000 1.045 156 K CA 0.448 56.736 56.287 0.000 0.000 1.004 156 K CB 0.372 32.880 32.500 0.013 0.000 0.837 156 K HN 0.562 nan 8.250 nan 0.000 0.510 157 G N 0.209 109.004 108.800 -0.009 0.000 3.234 157 G HA2 0.016 3.978 3.960 0.004 0.000 0.159 157 G HA3 0.016 3.978 3.960 0.004 0.000 0.159 157 G C -0.191 174.702 174.900 -0.012 0.000 1.175 157 G CA -0.245 44.853 45.100 -0.003 0.000 0.900 157 G HN -0.153 nan 8.290 nan 0.000 0.621 158 D N 0.349 120.749 120.400 0.000 0.000 2.162 158 D HA 0.051 4.694 4.640 0.004 0.000 0.203 158 D C 0.757 177.049 176.300 -0.013 0.000 0.967 158 D CA 0.598 54.601 54.000 0.005 0.000 0.840 158 D CB 0.045 40.866 40.800 0.035 0.000 0.972 158 D HN 0.411 nan 8.370 nan 0.000 0.482 159 E N 1.574 121.770 120.200 -0.007 0.000 2.376 159 E HA 0.044 4.396 4.350 0.004 0.000 0.266 159 E C -1.875 174.678 176.600 -0.077 0.000 1.009 159 E CA -1.052 55.342 56.400 -0.011 0.000 0.902 159 E CB 0.908 30.614 29.700 0.011 0.000 0.972 159 E HN 0.105 nan 8.360 nan 0.000 0.439 160 P HA 0.060 nan 4.420 nan 0.000 0.246 160 P C -0.688 176.535 177.300 -0.130 0.000 1.686 160 P CA 0.327 63.296 63.100 -0.218 0.000 0.867 160 P CB -0.029 31.440 31.700 -0.386 0.000 1.733 161 I N 1.037 121.563 120.570 -0.074 0.000 2.378 161 I HA 0.293 4.466 4.170 0.004 0.000 0.291 161 I C 0.654 176.755 176.117 -0.026 0.000 0.992 161 I CA -1.376 59.909 61.300 -0.025 0.000 1.154 161 I CB 1.708 39.712 38.000 0.006 0.000 1.315 161 I HN -0.085 nan 8.210 nan 0.000 0.448 162 L N 6.333 127.551 121.223 -0.009 0.000 2.357 162 L HA 0.428 4.770 4.340 0.004 0.000 0.273 162 L C 0.662 177.537 176.870 0.009 0.000 1.080 162 L CA -0.455 54.355 54.840 -0.050 0.000 0.803 162 L CB 0.735 42.728 42.059 -0.109 0.000 1.174 162 L HN 0.350 nan 8.230 nan 0.000 0.443 163 K N 3.639 124.013 120.400 -0.043 0.000 2.842 163 K HA 0.333 4.655 4.320 0.004 0.000 0.176 163 K C -2.548 174.001 176.600 -0.085 0.000 1.080 163 K CA -1.852 54.434 56.287 -0.002 0.000 0.954 163 K CB 0.980 33.484 32.500 0.007 0.000 1.203 163 K HN 0.196 nan 8.250 nan 0.000 0.611 164 P HA -0.027 nan 4.420 nan 0.000 0.268 164 P C 0.189 177.404 177.300 -0.141 0.000 1.205 164 P CA 0.109 63.081 63.100 -0.213 0.000 0.771 164 P CB 0.569 32.105 31.700 -0.272 0.000 0.858 165 S N 2.567 118.159 115.700 -0.180 0.000 2.572 165 S HA -0.040 4.433 4.470 0.004 0.000 0.267 165 S C 1.289 175.873 174.600 -0.026 0.000 1.361 165 S CA -0.495 57.646 58.200 -0.098 0.000 1.009 165 S CB 0.014 63.151 63.200 -0.105 0.000 0.888 165 S HN 0.383 nan 8.310 nan 0.000 0.553 166 L N 1.043 122.292 121.223 0.044 0.000 2.083 166 L HA 0.083 4.425 4.340 0.004 0.000 0.209 166 L C 1.970 178.951 176.870 0.185 0.000 1.083 166 L CA 1.629 56.535 54.840 0.110 0.000 0.752 166 L CB -1.190 40.926 42.059 0.096 0.000 0.899 166 L HN 0.828 nan 8.230 nan 0.000 0.433 167 F N 0.408 120.364 119.950 0.010 0.000 2.075 167 F HA -0.199 4.330 4.527 0.004 0.000 0.297 167 F C 2.369 178.185 175.800 0.027 0.000 1.113 167 F CA 1.604 59.629 58.000 0.041 0.000 1.218 167 F CB -0.837 38.191 39.000 0.047 0.000 0.984 167 F HN 0.149 nan 8.300 nan 0.000 0.472 168 A N -0.621 122.052 122.820 -0.245 0.000 1.917 168 A HA -0.303 4.020 4.320 0.004 0.000 0.219 168 A C 2.184 179.757 177.584 -0.019 0.000 1.182 168 A CA 1.981 53.745 52.037 -0.454 0.000 0.633 168 A CB -1.767 16.683 19.000 -0.917 0.000 0.819 168 A HN 0.622 nan 8.150 nan 0.000 0.448 169 Y N 0.138 120.403 120.300 -0.058 0.000 2.145 169 Y HA -0.160 4.392 4.550 0.004 0.000 0.286 169 Y C 2.095 178.091 175.900 0.160 0.000 1.145 169 Y CA 1.914 60.056 58.100 0.070 0.000 1.148 169 Y CB -0.238 38.257 38.460 0.059 0.000 0.981 169 Y HN 0.263 nan 8.280 nan 0.000 0.507 170 I N -1.161 119.526 120.570 0.194 0.000 2.286 170 I HA -0.290 3.883 4.170 0.004 0.000 0.248 170 I C 2.138 178.245 176.117 -0.017 0.000 1.115 170 I CA 1.045 62.402 61.300 0.096 0.000 1.392 170 I CB -0.401 37.670 38.000 0.118 0.000 1.065 170 I HN 0.075 nan 8.210 nan 0.000 0.418 171 V N 0.453 120.297 119.914 -0.117 0.000 2.515 171 V HA -0.289 3.833 4.120 0.004 0.000 0.250 171 V C 2.235 178.368 176.094 0.066 0.000 1.058 171 V CA 1.717 63.949 62.300 -0.113 0.000 1.064 171 V CB -0.706 30.953 31.823 -0.273 0.000 0.675 171 V HN 0.383 nan 8.190 nan 0.000 0.461 172 F N 0.277 120.225 119.950 -0.002 0.000 2.134 172 F HA -0.176 4.353 4.527 0.004 0.000 0.299 172 F C 2.025 177.840 175.800 0.025 0.000 1.097 172 F CA 1.591 59.622 58.000 0.051 0.000 1.264 172 F CB -0.235 38.788 39.000 0.038 0.000 1.001 172 F HN 0.031 nan 8.300 nan 0.000 0.479 173 L N -0.165 121.012 121.223 -0.077 0.000 2.017 173 L HA -0.250 4.092 4.340 0.004 0.000 0.208 173 L C 2.451 179.248 176.870 -0.122 0.000 1.073 173 L CA 1.619 56.360 54.840 -0.165 0.000 0.745 173 L CB -0.592 41.409 42.059 -0.097 0.000 0.894 173 L HN 0.157 nan 8.230 nan 0.000 0.432 174 I N -0.841 119.706 120.570 -0.039 0.000 2.163 174 I HA -0.330 3.843 4.170 0.004 0.000 0.243 174 I C 2.439 178.617 176.117 0.101 0.000 1.085 174 I CA 1.714 63.048 61.300 0.057 0.000 1.347 174 I CB -0.642 37.387 38.000 0.049 0.000 1.044 174 I HN 0.269 nan 8.210 nan 0.000 0.408 175 T N 0.726 115.296 114.554 0.028 0.000 2.720 175 T HA -0.181 4.172 4.350 0.004 0.000 0.268 175 T C 1.960 176.617 174.700 -0.072 0.000 1.037 175 T CA 1.298 63.433 62.100 0.058 0.000 1.144 175 T CB -0.150 68.772 68.868 0.090 0.000 0.864 175 T HN 0.160 nan 8.240 nan 0.000 0.444 176 M N 0.565 120.024 119.600 -0.236 0.000 2.080 176 M HA 0.000 4.483 4.480 0.004 0.000 0.260 176 M C 2.142 178.377 176.300 -0.108 0.000 1.068 176 M CA 1.378 56.537 55.300 -0.235 0.000 1.109 176 M CB -1.316 31.077 32.600 -0.345 0.000 1.342 176 M HN 0.303 nan 8.290 nan 0.000 0.405 177 F N 1.072 120.913 119.950 -0.183 0.000 2.161 177 F HA -0.176 4.354 4.527 0.004 0.000 0.300 177 F C 2.078 177.816 175.800 -0.103 0.000 1.089 177 F CA 1.379 59.298 58.000 -0.134 0.000 1.282 177 F CB -0.346 38.587 39.000 -0.112 0.000 1.010 177 F HN 0.027 nan 8.300 nan 0.000 0.485 178 I N 0.374 120.834 120.570 -0.185 0.000 2.202 178 I HA -0.315 3.858 4.170 0.004 0.000 0.242 178 I C 2.310 178.220 176.117 -0.345 0.000 1.091 178 I CA 1.288 62.427 61.300 -0.270 0.000 1.368 178 I CB -0.708 37.296 38.000 0.006 0.000 1.058 178 I HN 0.193 nan 8.210 nan 0.000 0.410 179 N N 0.629 119.174 118.700 -0.258 0.000 2.069 179 N HA -0.161 4.581 4.740 0.004 0.000 0.191 179 N C 1.979 177.331 175.510 -0.263 0.000 1.031 179 N CA 1.488 54.380 53.050 -0.263 0.000 0.852 179 N CB -0.156 38.225 38.487 -0.177 0.000 1.018 179 N HN 0.161 nan 8.380 nan 0.000 0.423 180 V N 1.718 121.480 119.914 -0.253 0.000 2.295 180 V HA -0.229 3.894 4.120 0.004 0.000 0.246 180 V C 2.650 178.565 176.094 -0.298 0.000 1.049 180 V CA 2.054 64.215 62.300 -0.231 0.000 1.024 180 V CB -0.775 30.940 31.823 -0.180 0.000 0.648 180 V HN 0.450 nan 8.190 nan 0.000 0.447 181 S N 0.094 115.518 115.700 -0.460 0.000 2.383 181 S HA -0.192 4.280 4.470 0.004 0.000 0.229 181 S C 1.916 176.329 174.600 -0.312 0.000 1.030 181 S CA 1.877 59.810 58.200 -0.445 0.000 1.002 181 S CB -0.675 62.137 63.200 -0.647 0.000 0.829 181 S HN 0.548 nan 8.310 nan 0.000 0.467 182 I N 1.197 121.562 120.570 -0.342 0.000 2.193 182 I HA -0.084 4.089 4.170 0.004 0.000 0.240 182 I C 2.508 178.491 176.117 -0.224 0.000 1.084 182 I CA 1.137 62.254 61.300 -0.306 0.000 1.365 182 I CB -0.383 37.338 38.000 -0.465 0.000 1.064 182 I HN 0.246 nan 8.210 nan 0.000 0.410 183 L N 0.215 121.311 121.223 -0.213 0.000 2.131 183 L HA -0.195 4.148 4.340 0.004 0.000 0.210 183 L C 2.495 179.276 176.870 -0.149 0.000 1.092 183 L CA 1.258 56.001 54.840 -0.161 0.000 0.759 183 L CB -0.306 41.677 42.059 -0.126 0.000 0.903 183 L HN 0.257 nan 8.230 nan 0.000 0.435 184 I N -0.384 120.096 120.570 -0.150 0.000 2.614 184 I HA -0.243 3.930 4.170 0.004 0.000 0.258 184 I C 2.338 178.376 176.117 -0.132 0.000 1.189 184 I CA 1.018 62.240 61.300 -0.131 0.000 1.462 184 I CB -0.007 37.917 38.000 -0.126 0.000 1.092 184 I HN 0.186 nan 8.210 nan 0.000 0.442 185 R N 0.646 121.063 120.500 -0.140 0.000 2.299 185 R HA 0.189 4.531 4.340 0.004 0.000 0.197 185 R C 0.914 177.124 176.300 -0.150 0.000 0.971 185 R CA 0.504 56.528 56.100 -0.127 0.000 1.030 185 R CB 0.069 30.304 30.300 -0.109 0.000 0.932 185 R HN 0.520 nan 8.270 nan 0.000 0.477 186 G N 0.463 109.153 108.800 -0.184 0.000 2.548 186 G HA2 -0.227 3.735 3.960 0.004 0.000 0.208 186 G HA3 -0.227 3.735 3.960 0.004 0.000 0.208 186 G C 0.309 175.005 174.900 -0.340 0.000 1.308 186 G CA -0.553 44.393 45.100 -0.256 0.000 0.924 186 G HN -0.064 nan 8.290 nan 0.000 0.540 187 I N 1.279 121.539 120.570 -0.517 0.000 2.141 187 I HA -0.060 4.112 4.170 0.004 0.000 0.236 187 I C 3.227 179.053 176.117 -0.485 0.000 1.071 187 I CA 2.941 63.780 61.300 -0.768 0.000 1.345 187 I CB -1.677 35.531 38.000 -1.320 0.000 1.066 187 I HN 0.890 nan 8.210 nan 0.000 0.406 188 S N 0.620 116.111 115.700 -0.349 0.000 2.377 188 S HA -0.052 4.421 4.470 0.004 0.000 0.223 188 S C 1.807 176.369 174.600 -0.064 0.000 1.030 188 S CA 0.529 58.653 58.200 -0.128 0.000 0.970 188 S CB -0.316 62.832 63.200 -0.088 0.000 0.830 188 S HN 0.371 nan 8.310 nan 0.000 0.473 189 K N 0.921 121.262 120.400 -0.098 0.000 2.400 189 K HA 0.212 4.534 4.320 0.004 0.000 0.194 189 K C 1.769 178.337 176.600 -0.054 0.000 1.033 189 K CA 0.631 56.882 56.287 -0.060 0.000 1.021 189 K CB 0.102 32.561 32.500 -0.068 0.000 0.808 189 K HN 0.538 nan 8.250 nan 0.000 0.505 190 G N 0.865 109.614 108.800 -0.085 0.000 2.621 190 G HA2 0.026 3.989 3.960 0.004 0.000 0.209 190 G HA3 0.026 3.989 3.960 0.004 0.000 0.209 190 G C 1.330 176.216 174.900 -0.024 0.000 1.379 190 G CA -0.263 44.790 45.100 -0.078 0.000 0.766 190 G HN -0.032 nan 8.290 nan 0.000 0.599 191 I N 0.827 121.363 120.570 -0.056 0.000 2.202 191 I HA -0.082 4.091 4.170 0.004 0.000 0.242 191 I C 2.646 178.853 176.117 0.151 0.000 1.091 191 I CA 1.436 62.757 61.300 0.035 0.000 1.368 191 I CB -0.135 37.845 38.000 -0.033 0.000 1.058 191 I HN 0.304 nan 8.210 nan 0.000 0.410 192 E N 1.238 121.543 120.200 0.175 0.000 2.031 192 E HA -0.218 4.135 4.350 0.004 0.000 0.193 192 E C 2.436 179.100 176.600 0.108 0.000 0.994 192 E CA 1.127 57.649 56.400 0.204 0.000 0.800 192 E CB 0.066 29.930 29.700 0.273 0.000 0.752 192 E HN 0.313 nan 8.360 nan 0.000 0.447 193 R N -0.478 120.074 120.500 0.087 0.000 2.091 193 R HA -0.164 4.178 4.340 0.004 0.000 0.238 193 R C 2.343 178.690 176.300 0.079 0.000 1.136 193 R CA 1.446 57.587 56.100 0.068 0.000 0.959 193 R CB -0.434 29.900 30.300 0.057 0.000 0.856 193 R HN 0.260 nan 8.270 nan 0.000 0.437 194 F N 1.268 121.197 119.950 -0.035 0.000 2.186 194 F HA -0.084 4.445 4.527 0.004 0.000 0.299 194 F C 2.276 178.039 175.800 -0.061 0.000 1.090 194 F CA 1.109 59.070 58.000 -0.066 0.000 1.307 194 F CB -0.273 38.655 39.000 -0.121 0.000 1.019 194 F HN -0.033 nan 8.300 nan 0.000 0.489 195 A N 0.326 123.142 122.820 -0.007 0.000 1.908 195 A HA -0.228 4.095 4.320 0.004 0.000 0.218 195 A C 2.247 179.757 177.584 -0.123 0.000 1.181 195 A CA 1.870 53.864 52.037 -0.073 0.000 0.627 195 A CB -0.714 18.296 19.000 0.017 0.000 0.818 195 A HN 0.437 nan 8.150 nan 0.000 0.445 196 K N -0.761 119.592 120.400 -0.077 0.000 2.209 196 K HA -0.029 4.294 4.320 0.004 0.000 0.204 196 K C 1.627 178.179 176.600 -0.080 0.000 1.048 196 K CA 1.291 57.543 56.287 -0.058 0.000 0.940 196 K CB -0.263 32.225 32.500 -0.021 0.000 0.729 196 K HN 0.592 nan 8.250 nan 0.000 0.451 197 I N 0.061 120.538 120.570 -0.157 0.000 2.429 197 I HA -0.137 4.036 4.170 0.004 0.000 0.247 197 I C 2.410 178.427 176.117 -0.167 0.000 1.099 197 I CA 0.679 61.889 61.300 -0.150 0.000 1.422 197 I CB -0.211 37.680 38.000 -0.182 0.000 1.112 197 I HN 0.049 nan 8.210 nan 0.000 0.430 198 A N 0.939 123.515 122.820 -0.407 0.000 1.873 198 A HA -0.160 4.163 4.320 0.004 0.000 0.215 198 A C 2.330 179.904 177.584 -0.015 0.000 1.186 198 A CA 1.321 53.200 52.037 -0.264 0.000 0.616 198 A CB -0.415 18.134 19.000 -0.751 0.000 0.823 198 A HN 0.227 nan 8.150 nan 0.000 0.442 199 M N -0.448 119.121 119.600 -0.053 0.000 2.080 199 M HA -0.080 4.402 4.480 0.004 0.000 0.260 199 M C -0.287 176.061 176.300 0.079 0.000 1.068 199 M CA 1.620 56.934 55.300 0.023 0.000 1.109 199 M CB -2.595 30.003 32.600 -0.004 0.000 1.342 199 M HN 0.152 nan 8.290 nan 0.000 0.405 200 P HA -0.086 nan 4.420 nan 0.000 0.215 200 P C 1.532 178.925 177.300 0.155 0.000 1.157 200 P CA 1.600 64.768 63.100 0.113 0.000 0.868 200 P CB -0.380 31.358 31.700 0.063 0.000 0.788 201 T N 0.335 114.943 114.554 0.089 0.000 2.665 201 T HA -0.202 4.150 4.350 0.004 0.000 0.268 201 T C 1.781 176.492 174.700 0.018 0.000 1.035 201 T CA 1.190 63.316 62.100 0.042 0.000 1.151 201 T CB -1.155 67.711 68.868 -0.003 0.000 0.862 201 T HN 0.050 nan 8.240 nan 0.000 0.438 202 L N -0.042 121.212 121.223 0.051 0.000 2.012 202 L HA -0.094 4.249 4.340 0.004 0.000 0.210 202 L C 2.284 179.216 176.870 0.105 0.000 1.073 202 L CA 1.671 56.536 54.840 0.042 0.000 0.748 202 L CB -0.372 41.750 42.059 0.104 0.000 0.891 202 L HN 0.253 nan 8.230 nan 0.000 0.431 203 F N 0.258 120.229 119.950 0.035 0.000 2.134 203 F HA -0.225 4.304 4.527 0.004 0.000 0.299 203 F C 2.067 177.897 175.800 0.049 0.000 1.097 203 F CA 1.734 59.767 58.000 0.056 0.000 1.264 203 F CB -0.223 38.804 39.000 0.046 0.000 1.001 203 F HN -0.004 nan 8.300 nan 0.000 0.479 204 I N 0.228 120.778 120.570 -0.032 0.000 2.142 204 I HA -0.340 3.833 4.170 0.004 0.000 0.240 204 I C 2.382 178.435 176.117 -0.107 0.000 1.078 204 I CA 1.523 62.751 61.300 -0.120 0.000 1.343 204 I CB -0.627 37.386 38.000 0.023 0.000 1.046 204 I HN 0.179 nan 8.210 nan 0.000 0.405 205 L N 0.428 121.609 121.223 -0.070 0.000 2.042 205 L HA -0.229 4.114 4.340 0.004 0.000 0.210 205 L C 2.835 179.694 176.870 -0.018 0.000 1.076 205 L CA 1.443 56.251 54.840 -0.053 0.000 0.749 205 L CB -0.849 41.145 42.059 -0.109 0.000 0.893 205 L HN 0.261 nan 8.230 nan 0.000 0.432 206 A N -0.327 122.450 122.820 -0.072 0.000 1.877 206 A HA -0.137 4.185 4.320 0.004 0.000 0.216 206 A C 2.365 179.903 177.584 -0.076 0.000 1.186 206 A CA 1.745 53.765 52.037 -0.028 0.000 0.620 206 A CB -0.838 18.210 19.000 0.079 0.000 0.822 206 A HN 0.175 nan 8.150 nan 0.000 0.443 207 V N -1.187 118.586 119.914 -0.235 0.000 2.295 207 V HA -0.250 3.872 4.120 0.004 0.000 0.246 207 V C 2.274 178.265 176.094 -0.171 0.000 1.049 207 V CA 2.179 64.306 62.300 -0.289 0.000 1.024 207 V CB -0.935 30.580 31.823 -0.514 0.000 0.648 207 V HN 0.636 nan 8.190 nan 0.000 0.447 208 F N 0.269 120.092 119.950 -0.211 0.000 2.095 208 F HA -0.228 4.302 4.527 0.006 0.000 0.298 208 F C 2.054 177.764 175.800 -0.150 0.000 1.104 208 F CA 1.857 59.766 58.000 -0.151 0.000 1.232 208 F CB -0.228 38.709 39.000 -0.104 0.000 0.987 208 F HN 0.031 nan 8.300 nan 0.000 0.475 209 L N -0.821 120.400 121.223 -0.002 0.000 2.093 209 L HA -0.207 4.135 4.340 0.004 0.000 0.208 209 L C 2.351 179.114 176.870 -0.179 0.000 1.085 209 L CA 0.840 55.632 54.840 -0.080 0.000 0.755 209 L CB -0.702 41.397 42.059 0.066 0.000 0.904 209 L HN 0.016 nan 8.230 nan 0.000 0.435 210 V N 0.189 119.980 119.914 -0.204 0.000 2.255 210 V HA -0.331 3.791 4.120 0.004 0.000 0.247 210 V C 2.314 178.011 176.094 -0.661 0.000 1.051 210 V CA 2.079 64.159 62.300 -0.366 0.000 1.018 210 V CB -0.358 31.241 31.823 -0.374 0.000 0.641 210 V HN 0.303 nan 8.190 nan 0.000 0.445 211 I N -0.309 119.914 120.570 -0.578 0.000 2.163 211 I HA -0.298 3.875 4.170 0.004 0.000 0.243 211 I C 2.738 178.646 176.117 -0.348 0.000 1.085 211 I CA 1.935 62.937 61.300 -0.498 0.000 1.347 211 I CB -0.404 37.369 38.000 -0.378 0.000 1.044 211 I HN 0.229 nan 8.210 nan 0.000 0.408 212 R N 0.866 121.103 120.500 -0.439 0.000 2.091 212 R HA -0.128 4.214 4.340 0.004 0.000 0.238 212 R C 2.027 178.242 176.300 -0.141 0.000 1.136 212 R CA 1.612 57.497 56.100 -0.359 0.000 0.959 212 R CB -0.836 29.146 30.300 -0.530 0.000 0.856 212 R HN 0.188 nan 8.270 nan 0.000 0.437 213 V N 0.399 120.265 119.914 -0.079 0.000 2.515 213 V HA -0.180 3.943 4.120 0.004 0.000 0.250 213 V C 1.905 178.144 176.094 0.241 0.000 1.058 213 V CA 1.463 63.819 62.300 0.093 0.000 1.064 213 V CB -0.668 31.222 31.823 0.112 0.000 0.675 213 V HN 0.190 nan 8.190 nan 0.000 0.461 214 F N 0.115 120.044 119.950 -0.036 0.000 2.202 214 F HA -0.107 4.425 4.527 0.008 0.000 0.301 214 F C 1.944 177.728 175.800 -0.027 0.000 1.082 214 F CA 0.937 58.922 58.000 -0.025 0.000 1.313 214 F CB -0.856 38.123 39.000 -0.035 0.000 1.024 214 F HN 0.141 nan 8.300 nan 0.000 0.495 215 L N -0.512 120.800 121.223 0.148 0.000 2.599 215 L HA -0.001 4.342 4.340 0.004 0.000 0.230 215 L C 0.465 177.362 176.870 0.045 0.000 1.141 215 L CA 0.008 54.884 54.840 0.060 0.000 0.877 215 L CB -0.544 41.522 42.059 0.012 0.000 1.009 215 L HN -0.095 nan 8.230 nan 0.000 0.447 216 L N 1.001 122.270 121.223 0.077 0.000 2.360 216 L HA 0.224 4.567 4.340 0.004 0.000 0.276 216 L C 0.159 177.031 176.870 0.003 0.000 1.121 216 L CA 0.397 55.289 54.840 0.086 0.000 0.845 216 L CB 0.758 42.941 42.059 0.206 0.000 1.143 216 L HN 0.126 nan 8.230 nan 0.000 0.452 217 E N 2.186 122.340 120.200 -0.076 0.000 2.308 217 E HA 0.495 4.848 4.350 0.004 0.000 0.275 217 E C -1.248 175.183 176.600 -0.281 0.000 0.890 217 E CA -0.497 55.812 56.400 -0.151 0.000 0.754 217 E CB 2.245 31.884 29.700 -0.101 0.000 1.207 217 E HN 0.637 nan 8.360 nan 0.000 0.426 218 T N 0.057 114.398 114.554 -0.355 0.000 2.864 218 T HA 0.461 4.814 4.350 0.004 0.000 0.289 218 T C -2.258 172.288 174.700 -0.257 0.000 1.082 218 T CA -1.698 60.153 62.100 -0.415 0.000 1.009 218 T CB 1.380 69.808 68.868 -0.733 0.000 1.234 218 T HN 0.167 nan 8.240 nan 0.000 0.526 219 P HA 0.022 nan 4.420 nan 0.000 0.226 219 P C 0.922 178.146 177.300 -0.126 0.000 1.146 219 P CA 0.700 63.717 63.100 -0.140 0.000 0.773 219 P CB -0.001 31.630 31.700 -0.115 0.000 0.772 220 N N -1.177 117.425 118.700 -0.163 0.000 2.392 220 N HA 0.132 4.874 4.740 0.004 0.000 0.177 220 N C 1.115 176.565 175.510 -0.099 0.000 1.066 220 N CA 1.026 54.005 53.050 -0.118 0.000 0.895 220 N CB 0.716 39.128 38.487 -0.125 0.000 0.988 220 N HN 0.165 nan 8.380 nan 0.000 0.457 221 G N -0.502 108.223 108.800 -0.125 0.000 2.356 221 G HA2 0.153 4.116 3.960 0.004 0.000 0.288 221 G HA3 0.153 4.116 3.960 0.004 0.000 0.288 221 G C -1.026 173.815 174.900 -0.098 0.000 1.302 221 G CA -0.240 44.806 45.100 -0.090 0.000 0.887 221 G HN 0.149 nan 8.290 nan 0.000 0.521 222 T N -2.833 111.682 114.554 -0.065 0.000 2.883 222 T HA 0.751 5.104 4.350 0.004 0.000 0.284 222 T C 1.679 176.360 174.700 -0.031 0.000 1.041 222 T CA 0.715 62.782 62.100 -0.056 0.000 1.007 222 T CB 1.518 70.347 68.868 -0.064 0.000 1.220 222 T HN 2.022 nan 8.240 nan 0.000 0.552 223 A N 0.352 123.158 122.820 -0.025 0.000 1.972 223 A HA 0.269 4.591 4.320 0.004 0.000 0.219 223 A C 2.571 180.111 177.584 -0.072 0.000 1.169 223 A CA 1.844 53.874 52.037 -0.013 0.000 0.635 223 A CB -1.559 17.458 19.000 0.029 0.000 0.810 223 A HN 1.312 nan 8.150 nan 0.000 0.446 224 A N 0.267 123.007 122.820 -0.133 0.000 1.978 224 A HA -0.202 4.120 4.320 0.004 0.000 0.220 224 A C 1.677 179.242 177.584 -0.032 0.000 1.170 224 A CA 1.808 53.767 52.037 -0.130 0.000 0.636 224 A CB -0.522 18.395 19.000 -0.138 0.000 0.810 224 A HN 0.502 nan 8.150 nan 0.000 0.448 225 D N -0.259 120.132 120.400 -0.014 0.000 2.178 225 D HA -0.090 4.553 4.640 0.004 0.000 0.201 225 D C 2.022 178.363 176.300 0.069 0.000 0.980 225 D CA 1.405 55.418 54.000 0.022 0.000 0.842 225 D CB -0.611 40.190 40.800 0.000 0.000 0.948 225 D HN 0.468 nan 8.370 nan 0.000 0.472 226 G N 0.859 109.696 108.800 0.061 0.000 2.402 226 G HA2 -0.152 3.811 3.960 0.004 0.000 0.216 226 G HA3 -0.152 3.811 3.960 0.004 0.000 0.216 226 G C 1.813 176.828 174.900 0.192 0.000 1.162 226 G CA 0.112 45.278 45.100 0.109 0.000 0.777 226 G HN 0.232 nan 8.290 nan 0.000 0.539 227 L N 0.542 121.861 121.223 0.160 0.000 2.093 227 L HA -0.055 4.288 4.340 0.004 0.000 0.208 227 L C 2.680 179.717 176.870 0.279 0.000 1.085 227 L CA 0.683 55.677 54.840 0.256 0.000 0.755 227 L CB -0.412 41.752 42.059 0.174 0.000 0.904 227 L HN 0.126 nan 8.230 nan 0.000 0.435 228 N N 0.177 118.984 118.700 0.177 0.000 2.120 228 N HA -0.225 4.518 4.740 0.004 0.000 0.188 228 N C 1.759 177.359 175.510 0.150 0.000 1.024 228 N CA 1.378 54.520 53.050 0.154 0.000 0.852 228 N CB -0.395 38.153 38.487 0.101 0.000 1.003 228 N HN 0.259 nan 8.380 nan 0.000 0.424 229 F N 1.288 121.248 119.950 0.017 0.000 2.134 229 F HA -0.083 4.444 4.527 0.001 0.000 0.299 229 F C 2.036 177.787 175.800 -0.081 0.000 1.097 229 F CA 0.850 58.832 58.000 -0.030 0.000 1.264 229 F CB -0.274 38.698 39.000 -0.047 0.000 1.001 229 F HN -0.064 nan 8.300 nan 0.000 0.479 230 L N -1.563 119.545 121.223 -0.191 0.000 2.313 230 L HA -0.019 4.324 4.340 0.004 0.000 0.214 230 L C 0.583 177.072 176.870 -0.635 0.000 1.119 230 L CA 1.301 55.841 54.840 -0.500 0.000 0.809 230 L CB -0.361 41.496 42.059 -0.337 0.000 0.933 230 L HN 0.252 nan 8.230 nan 0.000 0.449 231 W N -1.438 119.795 121.300 -0.112 0.000 2.599 231 W HA 0.315 4.976 4.660 0.001 0.000 0.396 231 W C 0.106 176.576 176.519 -0.080 0.000 0.944 231 W CA -0.363 56.937 57.345 -0.076 0.000 2.042 231 W CB 0.437 29.882 29.460 -0.025 0.000 1.184 231 W HN -0.261 nan 8.180 nan 0.000 0.604 232 T N 2.039 116.604 114.554 0.018 0.000 2.801 232 T HA 0.254 4.606 4.350 0.004 0.000 0.306 232 T C -2.492 172.145 174.700 -0.104 0.000 1.020 232 T CA -1.585 60.514 62.100 -0.001 0.000 0.948 232 T CB 1.014 69.886 68.868 0.008 0.000 0.962 232 T HN -0.406 nan 8.240 nan 0.000 0.465 233 P HA 0.127 nan 4.420 nan 0.000 0.263 233 P C -0.525 176.571 177.300 -0.340 0.000 1.195 233 P CA -0.105 62.805 63.100 -0.316 0.000 0.762 233 P CB 0.412 31.883 31.700 -0.382 0.000 0.799 234 D N 2.806 122.982 120.400 -0.374 0.000 2.441 234 D HA 0.172 4.814 4.640 0.004 0.000 0.231 234 D C 0.006 176.159 176.300 -0.246 0.000 1.073 234 D CA -0.511 53.366 54.000 -0.206 0.000 0.850 234 D CB 0.321 41.041 40.800 -0.133 0.000 1.062 234 D HN 0.137 nan 8.370 nan 0.000 0.524 235 F N 1.394 121.351 119.950 0.012 0.000 2.811 235 F HA 0.127 4.655 4.527 0.001 0.000 0.301 235 F C 1.817 177.644 175.800 0.045 0.000 1.151 235 F CA 0.222 58.241 58.000 0.032 0.000 1.412 235 F CB 0.308 39.330 39.000 0.036 0.000 1.113 235 F HN 0.355 nan 8.300 nan 0.000 0.579 236 E N 0.176 120.473 120.200 0.161 0.000 2.368 236 E HA 0.034 4.387 4.350 0.004 0.000 0.188 236 E C 1.168 177.821 176.600 0.088 0.000 1.061 236 E CA 0.087 56.559 56.400 0.120 0.000 0.933 236 E CB 0.136 29.893 29.700 0.095 0.000 1.091 236 E HN 0.262 nan 8.360 nan 0.000 0.458 237 K N -0.267 120.180 120.400 0.077 0.000 2.562 237 K HA 0.173 4.495 4.320 0.004 0.000 0.218 237 K C 1.293 177.962 176.600 0.114 0.000 1.374 237 K CA -0.006 56.318 56.287 0.063 0.000 0.996 237 K CB 0.704 33.201 32.500 -0.005 0.000 1.127 237 K HN 0.133 nan 8.250 nan 0.000 0.603 238 L N 0.917 122.236 121.223 0.160 0.000 2.633 238 L HA -0.049 4.294 4.340 0.004 0.000 0.235 238 L C 1.417 178.596 176.870 0.514 0.000 1.163 238 L CA 0.816 55.866 54.840 0.350 0.000 0.859 238 L CB -0.213 42.050 42.059 0.338 0.000 0.973 238 L HN -0.085 nan 8.230 nan 0.000 0.451 239 K N -0.729 119.858 120.400 0.311 0.000 2.367 239 K HA 0.059 4.382 4.320 0.004 0.000 0.195 239 K C 0.228 176.959 176.600 0.218 0.000 1.060 239 K CA -0.008 56.415 56.287 0.226 0.000 1.022 239 K CB 0.176 32.763 32.500 0.145 0.000 0.894 239 K HN -0.016 nan 8.250 nan 0.000 0.540 240 D N 0.763 121.309 120.400 0.245 0.000 2.358 240 D HA 0.048 4.691 4.640 0.004 0.000 0.258 240 D C -1.903 174.587 176.300 0.316 0.000 1.223 240 D CA -2.014 52.117 54.000 0.217 0.000 0.886 240 D CB 1.346 42.239 40.800 0.156 0.000 1.120 240 D HN -0.089 nan 8.370 nan 0.000 0.482 241 P HA 0.024 nan 4.420 nan 0.000 0.223 241 P C 1.309 178.705 177.300 0.161 0.000 1.151 241 P CA 0.619 63.856 63.100 0.229 0.000 0.787 241 P CB 0.256 32.060 31.700 0.174 0.000 0.788 242 G N -0.219 108.662 108.800 0.135 0.000 2.422 242 G HA2 -0.183 3.780 3.960 0.004 0.000 0.218 242 G HA3 -0.183 3.780 3.960 0.004 0.000 0.218 242 G C 1.517 176.382 174.900 -0.059 0.000 1.140 242 G CA 0.482 45.547 45.100 -0.058 0.000 0.775 242 G HN 0.170 nan 8.290 nan 0.000 0.545 243 V N -0.613 119.329 119.914 0.048 0.000 2.379 243 V HA -0.086 4.036 4.120 0.004 0.000 0.245 243 V C 2.388 178.442 176.094 -0.067 0.000 1.044 243 V CA 1.360 63.660 62.300 -0.001 0.000 1.036 243 V CB -0.596 31.192 31.823 -0.058 0.000 0.664 243 V HN 0.548 nan 8.190 nan 0.000 0.453 244 W N -0.049 121.227 121.300 -0.039 0.000 2.388 244 W HA -0.039 4.624 4.660 0.005 0.000 0.294 244 W C 2.258 178.710 176.519 -0.112 0.000 1.212 244 W CA 0.903 58.232 57.345 -0.027 0.000 1.271 244 W CB -0.480 29.004 29.460 0.040 0.000 1.126 244 W HN 0.165 nan 8.180 nan 0.000 0.535 245 I N -0.068 120.469 120.570 -0.055 0.000 2.252 245 I HA -0.276 3.896 4.170 0.004 0.000 0.245 245 I C 2.588 178.531 176.117 -0.289 0.000 1.102 245 I CA 1.325 62.380 61.300 -0.408 0.000 1.385 245 I CB -0.924 36.542 38.000 -0.889 0.000 1.064 245 I HN -0.052 nan 8.210 nan 0.000 0.414 246 A N 0.821 123.559 122.820 -0.136 0.000 1.877 246 A HA -0.196 4.127 4.320 0.004 0.000 0.216 246 A C 2.540 180.280 177.584 0.260 0.000 1.186 246 A CA 2.022 54.102 52.037 0.071 0.000 0.620 246 A CB -0.915 18.184 19.000 0.165 0.000 0.822 246 A HN 0.427 nan 8.150 nan 0.000 0.443 247 A N -0.743 122.149 122.820 0.120 0.000 1.877 247 A HA 0.015 4.337 4.320 0.004 0.000 0.216 247 A C 2.252 179.915 177.584 0.132 0.000 1.186 247 A CA 1.812 53.812 52.037 -0.062 0.000 0.620 247 A CB -0.942 17.783 19.000 -0.458 0.000 0.822 247 A HN 0.394 nan 8.150 nan 0.000 0.443 248 V N -0.058 119.955 119.914 0.166 0.000 2.358 248 V HA -0.150 3.972 4.120 0.004 0.000 0.246 248 V C 2.836 179.187 176.094 0.428 0.000 1.047 248 V CA 1.863 64.341 62.300 0.296 0.000 1.035 248 V CB -1.463 30.535 31.823 0.293 0.000 0.658 248 V HN 0.614 nan 8.190 nan 0.000 0.452 249 G N -0.701 108.287 108.800 0.314 0.000 2.476 249 G HA2 -0.392 3.570 3.960 0.004 0.000 0.218 249 G HA3 -0.392 3.570 3.960 0.004 0.000 0.218 249 G C 1.516 176.697 174.900 0.469 0.000 1.164 249 G CA 1.262 46.590 45.100 0.380 0.000 0.768 249 G HN 0.496 nan 8.290 nan 0.000 0.560 250 Q N 0.254 120.315 119.800 0.435 0.000 2.096 250 Q HA -0.082 4.261 4.340 0.004 0.000 0.204 250 Q C 2.471 178.772 176.000 0.501 0.000 0.982 250 Q CA 1.109 57.219 55.803 0.512 0.000 0.850 250 Q CB -0.384 28.759 28.738 0.674 0.000 0.901 250 Q HN 0.402 nan 8.270 nan 0.000 0.422 251 I N -0.057 120.732 120.570 0.364 0.000 2.163 251 I HA -0.255 3.918 4.170 0.004 0.000 0.243 251 I C 2.005 178.257 176.117 0.224 0.000 1.085 251 I CA 1.384 62.788 61.300 0.173 0.000 1.347 251 I CB -1.202 36.802 38.000 0.006 0.000 1.044 251 I HN 0.209 nan 8.210 nan 0.000 0.408 252 F N 0.223 120.333 119.950 0.266 0.000 2.075 252 F HA -0.278 4.251 4.527 0.004 0.000 0.297 252 F C 2.551 178.624 175.800 0.455 0.000 1.113 252 F CA 1.861 60.044 58.000 0.306 0.000 1.218 252 F CB -0.855 38.312 39.000 0.279 0.000 0.984 252 F HN -0.073 nan 8.300 nan 0.000 0.472 253 F N 0.150 120.459 119.950 0.599 0.000 2.095 253 F HA -0.258 4.272 4.527 0.004 0.000 0.298 253 F C 2.730 178.681 175.800 0.251 0.000 1.104 253 F CA 2.123 60.447 58.000 0.539 0.000 1.232 253 F CB -0.816 38.456 39.000 0.452 0.000 0.987 253 F HN -0.100 nan 8.300 nan 0.000 0.475 254 T N -0.095 114.732 114.554 0.455 0.000 2.867 254 T HA -0.092 4.261 4.350 0.004 0.000 0.268 254 T C 1.744 176.488 174.700 0.073 0.000 1.057 254 T CA 1.380 63.636 62.100 0.261 0.000 1.136 254 T CB -0.318 68.708 68.868 0.264 0.000 0.874 254 T HN 0.250 nan 8.240 nan 0.000 0.466 255 L N 0.644 121.916 121.223 0.081 0.000 2.592 255 L HA 0.276 4.619 4.340 0.004 0.000 0.227 255 L C 0.991 177.849 176.870 -0.019 0.000 1.127 255 L CA -0.001 54.853 54.840 0.023 0.000 0.884 255 L CB 0.036 42.109 42.059 0.024 0.000 1.065 255 L HN 0.133 nan 8.230 nan 0.000 0.457 256 S N 0.413 116.064 115.700 -0.081 0.000 3.635 256 S HA -0.158 4.315 4.470 0.004 0.000 0.328 256 S C 0.243 174.990 174.600 0.246 0.000 1.135 256 S CA 0.361 58.454 58.200 -0.179 0.000 0.942 256 S CB -1.877 61.118 63.200 -0.342 0.000 0.930 256 S HN 0.281 nan 8.310 nan 0.000 0.512 257 L N 0.508 121.951 121.223 0.366 0.000 2.326 257 L HA 0.580 4.923 4.340 0.004 0.000 0.278 257 L C 1.495 178.694 176.870 0.549 0.000 1.092 257 L CA 0.456 55.486 54.840 0.317 0.000 0.810 257 L CB 0.877 42.918 42.059 -0.030 0.000 1.153 257 L HN 0.456 nan 8.230 nan 0.000 0.439 258 G N 2.056 111.119 108.800 0.438 0.000 2.159 258 G HA2 -0.317 3.646 3.960 0.004 0.000 0.256 258 G HA3 -0.317 3.646 3.960 0.004 0.000 0.256 258 G C 0.304 175.328 174.900 0.207 0.000 0.977 258 G CA 0.113 45.475 45.100 0.436 0.000 0.652 258 G HN 0.565 nan 8.290 nan 0.000 0.531 259 F N 0.780 120.850 119.950 0.200 0.000 2.695 259 F HA 0.409 4.938 4.527 0.004 0.000 0.303 259 F C 2.134 177.939 175.800 0.008 0.000 1.091 259 F CA 0.667 58.688 58.000 0.036 0.000 1.300 259 F CB 0.621 39.570 39.000 -0.086 0.000 1.071 259 F HN 0.520 nan 8.300 nan 0.000 0.578 260 G N 0.743 109.706 108.800 0.272 0.000 2.216 260 G HA2 -0.417 3.545 3.960 0.004 0.000 0.269 260 G HA3 -0.417 3.545 3.960 0.004 0.000 0.269 260 G C 1.377 176.323 174.900 0.077 0.000 0.981 260 G CA 0.696 45.907 45.100 0.185 0.000 0.658 260 G HN 0.534 nan 8.290 nan 0.000 0.539 261 A N -0.096 122.749 122.820 0.042 0.000 1.903 261 A HA 0.370 4.692 4.320 0.004 0.000 0.213 261 A C 2.341 179.807 177.584 -0.197 0.000 1.185 261 A CA 1.580 53.546 52.037 -0.118 0.000 0.628 261 A CB -0.192 18.661 19.000 -0.244 0.000 0.830 261 A HN 0.419 nan 8.150 nan 0.000 0.446 262 I N 0.367 120.850 120.570 -0.145 0.000 2.226 262 I HA -0.232 3.940 4.170 0.004 0.000 0.245 262 I C 2.411 178.439 176.117 -0.148 0.000 1.100 262 I CA 1.342 62.532 61.300 -0.183 0.000 1.374 262 I CB -1.152 36.786 38.000 -0.104 0.000 1.057 262 I HN 0.302 nan 8.210 nan 0.000 0.413 263 I N 0.614 121.153 120.570 -0.051 0.000 2.163 263 I HA -0.325 3.847 4.170 0.004 0.000 0.243 263 I C 2.499 178.605 176.117 -0.019 0.000 1.085 263 I CA 1.713 62.995 61.300 -0.030 0.000 1.347 263 I CB -0.667 37.348 38.000 0.024 0.000 1.044 263 I HN 0.216 nan 8.210 nan 0.000 0.408 264 T N -0.287 114.284 114.554 0.029 0.000 2.746 264 T HA -0.192 4.160 4.350 0.004 0.000 0.267 264 T C 1.833 176.663 174.700 0.216 0.000 1.039 264 T CA 1.347 63.491 62.100 0.072 0.000 1.142 264 T CB -0.367 68.584 68.868 0.137 0.000 0.866 264 T HN 0.170 nan 8.240 nan 0.000 0.444 265 Y N 1.574 121.934 120.300 0.101 0.000 2.181 265 Y HA 0.037 4.590 4.550 0.004 0.000 0.288 265 Y C 2.724 178.782 175.900 0.264 0.000 1.146 265 Y CA 0.121 58.416 58.100 0.325 0.000 1.164 265 Y CB -1.139 37.414 38.460 0.154 0.000 0.982 265 Y HN 0.214 nan 8.280 nan 0.000 0.515 266 A N -0.659 122.189 122.820 0.048 0.000 2.121 266 A HA -0.127 4.196 4.320 0.004 0.000 0.218 266 A C 2.316 179.912 177.584 0.020 0.000 1.154 266 A CA 1.532 53.519 52.037 -0.085 0.000 0.679 266 A CB -0.924 17.919 19.000 -0.261 0.000 0.795 266 A HN 0.458 nan 8.150 nan 0.000 0.458 267 S N -1.741 113.894 115.700 -0.109 0.000 2.561 267 S HA -0.034 4.439 4.470 0.004 0.000 0.225 267 S C 1.095 175.425 174.600 -0.449 0.000 0.977 267 S CA 0.613 58.639 58.200 -0.292 0.000 0.926 267 S CB -0.636 62.307 63.200 -0.427 0.000 0.769 267 S HN 0.577 nan 8.310 nan 0.000 0.533 268 Y N 0.997 121.288 120.300 -0.014 0.000 2.458 268 Y HA 0.472 5.024 4.550 0.004 0.000 0.256 268 Y C 0.566 176.572 175.900 0.176 0.000 1.159 268 Y CA -0.850 57.131 58.100 -0.199 0.000 1.261 268 Y CB 0.034 38.062 38.460 -0.721 0.000 1.119 268 Y HN 0.083 nan 8.280 nan 0.000 0.524 269 V N 2.381 122.561 119.914 0.442 0.000 2.530 269 V HA 0.162 4.284 4.120 0.004 0.000 0.282 269 V C 0.581 176.879 176.094 0.340 0.000 1.048 269 V CA -1.082 61.492 62.300 0.456 0.000 0.997 269 V CB 0.716 32.750 31.823 0.352 0.000 0.987 269 V HN 0.233 nan 8.190 nan 0.000 0.477 270 R N 3.039 123.699 120.500 0.267 0.000 2.679 270 R HA 0.034 4.377 4.340 0.004 0.000 0.268 270 R C 1.544 177.905 176.300 0.103 0.000 1.044 270 R CA -0.192 55.962 56.100 0.090 0.000 1.105 270 R CB 0.490 30.738 30.300 -0.087 0.000 0.989 270 R HN 0.656 nan 8.270 nan 0.000 0.447 271 K N 1.867 122.312 120.400 0.074 0.000 2.173 271 K HA -0.225 4.097 4.320 0.004 0.000 0.207 271 K C 0.819 177.462 176.600 0.073 0.000 1.046 271 K CA 2.229 58.560 56.287 0.074 0.000 0.929 271 K CB 0.122 32.649 32.500 0.046 0.000 0.720 271 K HN 0.678 nan 8.250 nan 0.000 0.453 272 D N -0.725 119.706 120.400 0.051 0.000 2.324 272 D HA -0.114 4.528 4.640 0.004 0.000 0.212 272 D C 0.535 176.865 176.300 0.050 0.000 0.984 272 D CA -0.110 53.916 54.000 0.043 0.000 0.885 272 D CB -0.275 40.537 40.800 0.021 0.000 0.996 272 D HN 0.221 nan 8.370 nan 0.000 0.505 273 Q N 1.935 121.774 119.800 0.066 0.000 2.369 273 Q HA -0.056 4.286 4.340 0.004 0.000 0.295 273 Q C 0.108 176.162 176.000 0.090 0.000 1.075 273 Q CA 0.028 55.878 55.803 0.080 0.000 0.941 273 Q CB 0.711 29.517 28.738 0.114 0.000 1.260 273 Q HN 0.187 nan 8.270 nan 0.000 0.417 274 D N 3.119 123.556 120.400 0.061 0.000 2.443 274 D HA -0.030 4.612 4.640 0.004 0.000 0.239 274 D C 0.486 176.824 176.300 0.064 0.000 1.136 274 D CA 0.198 54.215 54.000 0.029 0.000 0.879 274 D CB 0.587 41.379 40.800 -0.014 0.000 1.195 274 D HN 0.647 nan 8.370 nan 0.000 0.443 275 I N 0.536 121.119 120.570 0.022 0.000 4.403 275 I HA 0.040 4.212 4.170 0.004 0.000 0.331 275 I C 1.363 177.336 176.117 -0.239 0.000 1.327 275 I CA -0.480 60.819 61.300 -0.002 0.000 1.175 275 I CB 0.374 38.546 38.000 0.287 0.000 1.165 275 I HN 0.158 nan 8.210 nan 0.000 0.413 276 V N 1.376 121.163 119.914 -0.211 0.000 2.255 276 V HA -0.184 3.938 4.120 0.004 0.000 0.243 276 V C 2.442 178.497 176.094 -0.065 0.000 1.038 276 V CA 2.081 64.206 62.300 -0.292 0.000 1.008 276 V CB -0.476 31.089 31.823 -0.430 0.000 0.645 276 V HN 0.474 nan 8.190 nan 0.000 0.449 277 L N 0.018 121.178 121.223 -0.106 0.000 2.072 277 L HA -0.052 4.290 4.340 0.004 0.000 0.205 277 L C 2.531 179.322 176.870 -0.132 0.000 1.079 277 L CA 1.917 56.719 54.840 -0.063 0.000 0.752 277 L CB -0.627 41.401 42.059 -0.053 0.000 0.906 277 L HN 0.269 nan 8.230 nan 0.000 0.436 278 S N -0.012 115.555 115.700 -0.222 0.000 2.365 278 S HA -0.173 4.299 4.470 0.004 0.000 0.225 278 S C 1.928 176.163 174.600 -0.609 0.000 1.039 278 S CA 1.314 59.324 58.200 -0.316 0.000 1.033 278 S CB -1.228 61.818 63.200 -0.255 0.000 0.887 278 S HN 0.688 nan 8.310 nan 0.000 0.447 279 G N 1.567 109.705 108.800 -1.103 0.000 2.421 279 G HA2 -0.180 3.782 3.960 0.004 0.000 0.216 279 G HA3 -0.180 3.782 3.960 0.004 0.000 0.216 279 G C 1.402 175.991 174.900 -0.517 0.000 1.171 279 G CA 0.982 45.327 45.100 -1.259 0.000 0.775 279 G HN 0.407 nan 8.290 nan 0.000 0.543 280 L N 1.050 122.116 121.223 -0.263 0.000 2.046 280 L HA -0.011 4.332 4.340 0.004 0.000 0.208 280 L C 2.950 179.759 176.870 -0.102 0.000 1.077 280 L CA 2.560 57.297 54.840 -0.170 0.000 0.747 280 L CB -0.908 41.190 42.059 0.064 0.000 0.896 280 L HN 0.213 nan 8.230 nan 0.000 0.432 281 T N -0.185 114.315 114.554 -0.090 0.000 2.708 281 T HA -0.160 4.192 4.350 0.004 0.000 0.266 281 T C 1.926 176.607 174.700 -0.031 0.000 1.037 281 T CA 1.394 63.464 62.100 -0.049 0.000 1.146 281 T CB -0.661 68.178 68.868 -0.049 0.000 0.865 281 T HN 0.506 nan 8.240 nan 0.000 0.435 282 A N 1.501 124.305 122.820 -0.026 0.000 1.940 282 A HA 0.116 4.439 4.320 0.004 0.000 0.219 282 A C 2.633 180.235 177.584 0.031 0.000 1.176 282 A CA 1.911 53.974 52.037 0.044 0.000 0.631 282 A CB -1.087 18.025 19.000 0.187 0.000 0.814 282 A HN 0.524 nan 8.150 nan 0.000 0.446 283 A N -1.221 121.598 122.820 -0.001 0.000 1.930 283 A HA -0.027 4.295 4.320 0.004 0.000 0.217 283 A C 2.279 179.909 177.584 0.077 0.000 1.175 283 A CA 2.136 54.196 52.037 0.039 0.000 0.627 283 A CB -1.045 17.938 19.000 -0.029 0.000 0.815 283 A HN 0.427 nan 8.150 nan 0.000 0.443 284 T N 0.365 114.952 114.554 0.056 0.000 2.857 284 T HA 0.011 4.364 4.350 0.004 0.000 0.266 284 T C 1.794 176.482 174.700 -0.019 0.000 1.048 284 T CA 1.114 63.236 62.100 0.036 0.000 1.139 284 T CB -0.317 68.583 68.868 0.053 0.000 0.874 284 T HN 0.332 nan 8.240 nan 0.000 0.455 285 L N 1.335 122.551 121.223 -0.012 0.000 2.042 285 L HA -0.158 4.185 4.340 0.004 0.000 0.210 285 L C 2.601 179.460 176.870 -0.019 0.000 1.076 285 L CA 1.386 56.216 54.840 -0.016 0.000 0.749 285 L CB -0.558 41.494 42.059 -0.013 0.000 0.893 285 L HN 0.301 nan 8.230 nan 0.000 0.432 286 N N -0.340 118.344 118.700 -0.026 0.000 2.120 286 N HA -0.207 4.535 4.740 0.004 0.000 0.188 286 N C 1.806 177.250 175.510 -0.110 0.000 1.024 286 N CA 1.177 54.198 53.050 -0.048 0.000 0.852 286 N CB 0.121 38.591 38.487 -0.028 0.000 1.003 286 N HN 0.153 nan 8.380 nan 0.000 0.424 287 E N 0.628 120.732 120.200 -0.160 0.000 2.106 287 E HA -0.133 4.220 4.350 0.004 0.000 0.192 287 E C 1.786 178.285 176.600 -0.167 0.000 0.984 287 E CA 0.888 57.137 56.400 -0.252 0.000 0.806 287 E CB -0.156 29.235 29.700 -0.514 0.000 0.750 287 E HN 0.513 nan 8.360 nan 0.000 0.458 288 K N 0.719 121.062 120.400 -0.097 0.000 2.026 288 K HA -0.035 4.288 4.320 0.004 0.000 0.208 288 K C 2.155 178.748 176.600 -0.011 0.000 1.048 288 K CA 1.226 57.496 56.287 -0.028 0.000 0.929 288 K CB -0.161 32.345 32.500 0.009 0.000 0.713 288 K HN 0.051 nan 8.250 nan 0.000 0.439 289 A N 1.181 123.989 122.820 -0.020 0.000 2.019 289 A HA -0.218 4.104 4.320 0.004 0.000 0.219 289 A C 2.011 179.467 177.584 -0.214 0.000 1.164 289 A CA 1.699 53.719 52.037 -0.029 0.000 0.644 289 A CB -0.310 18.696 19.000 0.010 0.000 0.805 289 A HN 0.400 nan 8.150 nan 0.000 0.449 290 E N -0.256 119.783 120.200 -0.268 0.000 2.030 290 E HA -0.085 4.267 4.350 0.004 0.000 0.189 290 E C 1.956 178.270 176.600 -0.478 0.000 0.974 290 E CA 1.512 57.633 56.400 -0.464 0.000 0.807 290 E CB -0.111 29.279 29.700 -0.517 0.000 0.771 290 E HN 0.435 nan 8.360 nan 0.000 0.451 291 V N -1.015 118.704 119.914 -0.326 0.000 2.649 291 V HA 0.005 4.127 4.120 0.004 0.000 0.248 291 V C 2.096 178.325 176.094 0.224 0.000 1.054 291 V CA 1.072 63.337 62.300 -0.058 0.000 1.073 291 V CB -0.384 31.515 31.823 0.127 0.000 0.699 291 V HN 0.238 nan 8.190 nan 0.000 0.463 292 I N -0.256 120.392 120.570 0.131 0.000 2.296 292 I HA -0.001 4.172 4.170 0.004 0.000 0.242 292 I C 2.450 178.663 176.117 0.159 0.000 1.087 292 I CA 1.405 62.801 61.300 0.160 0.000 1.393 292 I CB -0.147 37.913 38.000 0.101 0.000 1.093 292 I HN 0.217 nan 8.210 nan 0.000 0.421 293 L N -0.003 121.291 121.223 0.118 0.000 2.071 293 L HA 0.077 4.420 4.340 0.004 0.000 0.201 293 L C 2.685 179.696 176.870 0.234 0.000 1.076 293 L CA 1.358 56.301 54.840 0.173 0.000 0.755 293 L CB -1.274 40.923 42.059 0.230 0.000 0.915 293 L HN 0.259 nan 8.230 nan 0.000 0.445 294 G N -0.095 108.734 108.800 0.048 0.000 2.440 294 G HA2 -0.214 3.749 3.960 0.004 0.000 0.218 294 G HA3 -0.214 3.749 3.960 0.004 0.000 0.218 294 G C 1.524 176.574 174.900 0.251 0.000 1.154 294 G CA 0.812 45.931 45.100 0.030 0.000 0.767 294 G HN 0.501 nan 8.290 nan 0.000 0.552 295 G N -0.245 108.721 108.800 0.277 0.000 2.650 295 G HA2 0.099 4.062 3.960 0.004 0.000 0.214 295 G HA3 0.099 4.062 3.960 0.004 0.000 0.214 295 G C 1.653 176.724 174.900 0.286 0.000 1.136 295 G CA 1.054 46.371 45.100 0.363 0.000 0.789 295 G HN 0.412 nan 8.290 nan 0.000 0.536 296 S N -0.348 115.521 115.700 0.282 0.000 2.540 296 S HA 0.305 4.778 4.470 0.004 0.000 0.218 296 S C 1.692 176.429 174.600 0.229 0.000 0.977 296 S CA -0.312 58.073 58.200 0.308 0.000 0.918 296 S CB 0.229 63.643 63.200 0.356 0.000 0.806 296 S HN 0.350 nan 8.310 nan 0.000 0.496 297 I N 0.021 120.691 120.570 0.166 0.000 3.098 297 I HA 0.026 4.198 4.170 0.004 0.000 0.241 297 I C 2.280 178.351 176.117 -0.075 0.000 1.081 297 I CA 0.434 61.763 61.300 0.048 0.000 1.487 297 I CB -0.480 37.554 38.000 0.056 0.000 1.366 297 I HN 0.099 nan 8.210 nan 0.000 0.463 298 S N 1.212 116.857 115.700 -0.092 0.000 2.343 298 S HA -0.098 4.374 4.470 0.004 0.000 0.219 298 S C 2.014 176.554 174.600 -0.101 0.000 1.033 298 S CA 1.263 59.359 58.200 -0.173 0.000 1.014 298 S CB -0.174 62.979 63.200 -0.078 0.000 0.915 298 S HN 0.199 nan 8.310 nan 0.000 0.435 299 I N 2.044 122.595 120.570 -0.032 0.000 2.113 299 I HA -0.069 4.104 4.170 0.004 0.000 0.238 299 I C -0.828 175.292 176.117 0.005 0.000 1.070 299 I CA 1.271 62.556 61.300 -0.024 0.000 1.332 299 I CB -2.881 35.126 38.000 0.011 0.000 1.044 299 I HN 0.178 nan 8.210 nan 0.000 0.402 300 P HA -0.115 nan 4.420 nan 0.000 0.216 300 P C 1.707 179.045 177.300 0.063 0.000 1.150 300 P CA 2.050 65.196 63.100 0.076 0.000 0.837 300 P CB -0.018 31.767 31.700 0.142 0.000 0.786 301 A N 0.028 122.870 122.820 0.037 0.000 1.877 301 A HA -0.125 4.197 4.320 0.004 0.000 0.216 301 A C 2.344 179.950 177.584 0.036 0.000 1.186 301 A CA 2.215 54.267 52.037 0.024 0.000 0.620 301 A CB -1.632 17.306 19.000 -0.104 0.000 0.822 301 A HN 0.196 nan 8.150 nan 0.000 0.443 302 A N -0.678 122.145 122.820 0.005 0.000 1.902 302 A HA 0.008 4.331 4.320 0.004 0.000 0.217 302 A C 2.222 179.907 177.584 0.167 0.000 1.181 302 A CA 1.788 53.893 52.037 0.112 0.000 0.623 302 A CB -0.907 18.106 19.000 0.021 0.000 0.818 302 A HN 0.399 nan 8.150 nan 0.000 0.443 303 V N -0.163 119.781 119.914 0.050 0.000 2.427 303 V HA -0.213 3.910 4.120 0.004 0.000 0.248 303 V C 3.024 179.134 176.094 0.028 0.000 1.051 303 V CA 1.757 64.063 62.300 0.011 0.000 1.048 303 V CB -1.144 30.648 31.823 -0.052 0.000 0.666 303 V HN 0.609 nan 8.190 nan 0.000 0.456 304 A N -0.786 122.065 122.820 0.051 0.000 1.933 304 A HA -0.180 4.143 4.320 0.004 0.000 0.218 304 A C 1.995 179.536 177.584 -0.070 0.000 1.175 304 A CA 1.864 53.911 52.037 0.017 0.000 0.628 304 A CB -0.558 18.490 19.000 0.081 0.000 0.814 304 A HN 0.491 nan 8.150 nan 0.000 0.444 305 F N -2.786 117.013 119.950 -0.252 0.000 2.446 305 F HA 0.228 4.758 4.527 0.006 0.000 0.292 305 F C 1.371 176.777 175.800 -0.658 0.000 1.096 305 F CA 0.720 58.399 58.000 -0.535 0.000 1.438 305 F CB 0.159 38.656 39.000 -0.838 0.000 1.107 305 F HN 0.209 nan 8.300 nan 0.000 0.546 306 F N -0.754 119.251 119.950 0.092 0.000 2.752 306 F HA 0.495 5.024 4.527 0.003 0.000 0.310 306 F C 1.166 176.947 175.800 -0.032 0.000 1.097 306 F CA 0.208 58.220 58.000 0.020 0.000 1.238 306 F CB -0.131 38.869 39.000 0.001 0.000 1.061 306 F HN -0.079 nan 8.300 nan 0.000 0.591 307 G N 0.525 109.378 108.800 0.089 0.000 2.746 307 G HA2 -0.164 3.798 3.960 0.004 0.000 0.685 307 G HA3 -0.164 3.798 3.960 0.004 0.000 0.685 307 G C 0.486 175.360 174.900 -0.042 0.000 1.350 307 G CA -0.567 44.539 45.100 0.010 0.000 0.837 307 G HN -0.057 nan 8.290 nan 0.000 0.564 308 V N 1.185 121.034 119.914 -0.108 0.000 2.261 308 V HA -0.076 4.047 4.120 0.004 0.000 0.246 308 V C 3.435 179.386 176.094 -0.238 0.000 1.047 308 V CA 3.511 65.660 62.300 -0.253 0.000 1.015 308 V CB -1.362 30.318 31.823 -0.238 0.000 0.642 308 V HN 1.825 nan 8.190 nan 0.000 0.446 309 A N 0.345 123.089 122.820 -0.126 0.000 1.908 309 A HA -0.263 4.060 4.320 0.004 0.000 0.218 309 A C 2.077 179.602 177.584 -0.099 0.000 1.181 309 A CA 2.250 54.229 52.037 -0.096 0.000 0.627 309 A CB -0.701 18.270 19.000 -0.048 0.000 0.818 309 A HN 0.602 nan 8.150 nan 0.000 0.445 310 N N 0.178 118.835 118.700 -0.071 0.000 2.142 310 N HA -0.060 4.683 4.740 0.004 0.000 0.186 310 N C 1.923 177.347 175.510 -0.143 0.000 1.023 310 N CA 1.499 54.499 53.050 -0.083 0.000 0.852 310 N CB -0.595 37.889 38.487 -0.005 0.000 0.998 310 N HN 0.461 nan 8.380 nan 0.000 0.424 311 A N 0.799 123.543 122.820 -0.127 0.000 1.902 311 A HA -0.080 4.243 4.320 0.004 0.000 0.217 311 A C 2.508 179.968 177.584 -0.207 0.000 1.181 311 A CA 1.282 53.222 52.037 -0.161 0.000 0.623 311 A CB -0.757 18.145 19.000 -0.163 0.000 0.818 311 A HN 0.101 nan 8.150 nan 0.000 0.443 312 V N -0.179 119.589 119.914 -0.243 0.000 2.343 312 V HA -0.240 3.883 4.120 0.004 0.000 0.247 312 V C 3.053 179.065 176.094 -0.135 0.000 1.051 312 V CA 1.920 64.102 62.300 -0.197 0.000 1.036 312 V CB -1.225 30.486 31.823 -0.187 0.000 0.654 312 V HN 0.613 nan 8.190 nan 0.000 0.451 313 A N -0.248 122.496 122.820 -0.126 0.000 1.933 313 A HA -0.171 4.152 4.320 0.004 0.000 0.218 313 A C 2.174 179.690 177.584 -0.113 0.000 1.175 313 A CA 1.877 53.852 52.037 -0.103 0.000 0.628 313 A CB -0.531 18.412 19.000 -0.094 0.000 0.814 313 A HN 0.518 nan 8.150 nan 0.000 0.444 314 I N -0.359 120.122 120.570 -0.149 0.000 2.252 314 I HA -0.230 3.942 4.170 0.004 0.000 0.245 314 I C 2.879 178.929 176.117 -0.111 0.000 1.102 314 I CA 1.018 62.227 61.300 -0.152 0.000 1.385 314 I CB -0.222 37.642 38.000 -0.227 0.000 1.064 314 I HN 0.328 nan 8.210 nan 0.000 0.414 315 A N 0.313 123.061 122.820 -0.121 0.000 2.070 315 A HA -0.191 4.132 4.320 0.004 0.000 0.220 315 A C 2.260 179.782 177.584 -0.104 0.000 1.159 315 A CA 1.497 53.465 52.037 -0.114 0.000 0.656 315 A CB -0.351 18.567 19.000 -0.137 0.000 0.800 315 A HN 0.339 nan 8.150 nan 0.000 0.453 316 K N -0.767 119.578 120.400 -0.092 0.000 2.166 316 K HA 0.172 4.495 4.320 0.004 0.000 0.201 316 K C 1.854 178.420 176.600 -0.056 0.000 1.052 316 K CA 0.760 57.002 56.287 -0.075 0.000 0.969 316 K CB -0.072 32.390 32.500 -0.064 0.000 0.761 316 K HN 0.370 nan 8.250 nan 0.000 0.459 317 A N 1.172 123.963 122.820 -0.048 0.000 2.238 317 A HA 0.218 4.541 4.320 0.004 0.000 0.208 317 A C 0.600 178.184 177.584 -0.000 0.000 1.177 317 A CA 0.762 52.785 52.037 -0.023 0.000 0.804 317 A CB 0.046 19.033 19.000 -0.022 0.000 0.823 317 A HN 0.317 nan 8.150 nan 0.000 0.482 318 G N -3.962 104.828 108.800 -0.017 0.000 2.411 318 G HA2 0.528 4.490 3.960 0.004 0.000 0.295 318 G HA3 0.528 4.490 3.960 0.004 0.000 0.295 318 G C -0.017 174.848 174.900 -0.059 0.000 1.542 318 G CA 0.021 45.122 45.100 0.002 0.000 0.814 318 G HN 0.731 nan 8.290 nan 0.000 0.557 319 A N -0.558 122.177 122.820 -0.142 0.000 2.259 319 A HA 0.557 4.879 4.320 0.004 0.000 0.213 319 A C 1.060 178.471 177.584 -0.288 0.000 1.209 319 A CA 0.521 52.385 52.037 -0.287 0.000 0.910 319 A CB 0.003 18.725 19.000 -0.463 0.000 0.946 319 A HN 0.579 nan 8.150 nan 0.000 0.497 320 F N 0.340 120.404 119.950 0.191 0.000 2.695 320 F HA 0.222 4.752 4.527 0.005 0.000 0.303 320 F C 1.727 177.716 175.800 0.316 0.000 1.091 320 F CA -0.365 57.834 58.000 0.332 0.000 1.300 320 F CB -0.578 38.593 39.000 0.285 0.000 1.071 320 F HN 0.244 nan 8.300 nan 0.000 0.578 321 N N 0.319 119.196 118.700 0.295 0.000 2.149 321 N HA -0.186 4.556 4.740 0.004 0.000 0.188 321 N C 1.810 177.409 175.510 0.150 0.000 1.019 321 N CA 0.867 54.036 53.050 0.198 0.000 0.857 321 N CB -0.033 38.502 38.487 0.080 0.000 0.997 321 N HN 0.170 nan 8.380 nan 0.000 0.426 322 L N 0.418 121.711 121.223 0.117 0.000 2.049 322 L HA 0.051 4.393 4.340 0.004 0.000 0.203 322 L C 2.283 179.186 176.870 0.055 0.000 1.074 322 L CA 1.535 56.395 54.840 0.033 0.000 0.749 322 L CB -0.915 41.144 42.059 0.000 0.000 0.907 322 L HN 0.060 nan 8.230 nan 0.000 0.439 323 G N -2.357 106.576 108.800 0.222 0.000 2.453 323 G HA2 -0.173 3.789 3.960 0.004 0.000 0.215 323 G HA3 -0.173 3.789 3.960 0.004 0.000 0.215 323 G C 1.188 176.200 174.900 0.187 0.000 1.147 323 G CA 0.401 45.660 45.100 0.266 0.000 0.802 323 G HN 0.371 nan 8.290 nan 0.000 0.535 324 F N -0.719 119.459 119.950 0.379 0.000 2.717 324 F HA 0.460 4.990 4.527 0.004 0.000 0.297 324 F C 1.961 178.033 175.800 0.452 0.000 1.113 324 F CA -0.097 58.150 58.000 0.411 0.000 1.319 324 F CB 0.492 39.578 39.000 0.143 0.000 1.097 324 F HN 0.034 nan 8.300 nan 0.000 0.595 325 I N -1.671 119.161 120.570 0.436 0.000 3.393 325 I HA -0.057 4.115 4.170 0.004 0.000 0.250 325 I C 2.015 178.175 176.117 0.071 0.000 1.122 325 I CA 0.651 62.145 61.300 0.322 0.000 1.484 325 I CB -0.399 37.753 38.000 0.253 0.000 1.468 325 I HN -0.182 nan 8.210 nan 0.000 0.461 326 T N 1.728 116.270 114.554 -0.021 0.000 2.737 326 T HA -0.110 4.242 4.350 0.004 0.000 0.265 326 T C 1.839 176.341 174.700 -0.331 0.000 1.038 326 T CA 1.275 63.289 62.100 -0.142 0.000 1.144 326 T CB -0.249 68.544 68.868 -0.124 0.000 0.866 326 T HN 0.054 nan 8.240 nan 0.000 0.434 327 L N 2.438 123.392 121.223 -0.449 0.000 1.994 327 L HA 0.003 4.345 4.340 0.004 0.000 0.208 327 L C -0.723 175.515 176.870 -1.052 0.000 1.071 327 L CA 1.877 56.178 54.840 -0.899 0.000 0.745 327 L CB -1.190 40.150 42.059 -1.198 0.000 0.892 327 L HN 0.130 nan 8.230 nan 0.000 0.431 328 P HA -0.183 nan 4.420 nan 0.000 0.218 328 P C 1.381 178.255 177.300 -0.711 0.000 1.148 328 P CA 2.032 64.921 63.100 -0.351 0.000 0.822 328 P CB -0.180 31.661 31.700 0.236 0.000 0.784 329 A N -0.042 122.147 122.820 -1.051 0.000 1.902 329 A HA -0.160 4.162 4.320 0.004 0.000 0.217 329 A C 2.373 179.596 177.584 -0.602 0.000 1.181 329 A CA 1.441 52.755 52.037 -1.206 0.000 0.623 329 A CB -1.571 17.049 19.000 -0.633 0.000 0.818 329 A HN 0.121 nan 8.150 nan 0.000 0.443 330 I N -1.421 118.786 120.570 -0.605 0.000 2.179 330 I HA -0.223 3.950 4.170 0.004 0.000 0.242 330 I C 2.216 178.106 176.117 -0.379 0.000 1.088 330 I CA 1.118 61.959 61.300 -0.764 0.000 1.357 330 I CB -0.358 37.072 38.000 -0.950 0.000 1.051 330 I HN 0.258 nan 8.210 nan 0.000 0.409 331 F N 1.223 120.955 119.950 -0.364 0.000 2.126 331 F HA -0.239 4.290 4.527 0.003 0.000 0.299 331 F C 3.023 178.791 175.800 -0.053 0.000 1.096 331 F CA 1.436 59.332 58.000 -0.174 0.000 1.255 331 F CB -1.668 37.262 39.000 -0.115 0.000 0.997 331 F HN 0.202 nan 8.300 nan 0.000 0.479 332 S N -0.576 115.212 115.700 0.146 0.000 2.469 332 S HA -0.168 4.305 4.470 0.004 0.000 0.238 332 S C 1.495 176.179 174.600 0.140 0.000 0.998 332 S CA 0.769 59.082 58.200 0.189 0.000 0.957 332 S CB -0.428 62.953 63.200 0.302 0.000 0.764 332 S HN 0.405 nan 8.310 nan 0.000 0.514 333 Q N 1.650 121.506 119.800 0.093 0.000 2.403 333 Q HA 0.149 4.492 4.340 0.004 0.000 0.203 333 Q C 0.756 176.843 176.000 0.146 0.000 0.932 333 Q CA 0.677 56.558 55.803 0.129 0.000 0.945 333 Q CB 0.269 29.113 28.738 0.177 0.000 1.045 333 Q HN 0.884 nan 8.270 nan 0.000 0.511 334 T N -3.578 111.054 114.554 0.130 0.000 2.930 334 T HA 0.716 5.069 4.350 0.004 0.000 0.290 334 T C -0.297 174.453 174.700 0.083 0.000 1.052 334 T CA -0.853 61.311 62.100 0.107 0.000 1.017 334 T CB 2.020 70.946 68.868 0.096 0.000 1.137 334 T HN 0.054 nan 8.240 nan 0.000 0.511 335 A N 0.345 123.201 122.820 0.060 0.000 2.491 335 A HA 0.553 4.876 4.320 0.004 0.000 0.261 335 A C 1.591 179.211 177.584 0.060 0.000 1.101 335 A CA 0.225 52.292 52.037 0.051 0.000 0.772 335 A CB -1.463 17.557 19.000 0.033 0.000 1.043 335 A HN 2.401 nan 8.150 nan 0.000 0.501 336 G N 1.900 110.746 108.800 0.077 0.000 2.179 336 G HA2 -0.151 3.811 3.960 0.004 0.000 0.257 336 G HA3 -0.151 3.811 3.960 0.004 0.000 0.257 336 G C 1.200 176.204 174.900 0.172 0.000 1.010 336 G CA 0.863 46.034 45.100 0.117 0.000 0.736 336 G HN 1.823 nan 8.290 nan 0.000 0.513 337 G N -0.442 108.446 108.800 0.148 0.000 2.442 337 G HA2 -0.096 3.866 3.960 0.004 0.000 0.219 337 G HA3 -0.096 3.866 3.960 0.004 0.000 0.219 337 G C 1.682 176.769 174.900 0.312 0.000 1.141 337 G CA 2.214 47.418 45.100 0.172 0.000 0.763 337 G HN 0.656 nan 8.290 nan 0.000 0.554 338 T N 0.523 115.282 114.554 0.340 0.000 2.720 338 T HA -0.146 4.207 4.350 0.004 0.000 0.268 338 T C 1.918 176.934 174.700 0.527 0.000 1.037 338 T CA 1.174 63.548 62.100 0.457 0.000 1.144 338 T CB -0.270 68.755 68.868 0.262 0.000 0.864 338 T HN 0.268 nan 8.240 nan 0.000 0.444 339 F N 0.859 120.962 119.950 0.254 0.000 2.259 339 F HA 0.120 4.649 4.527 0.004 0.000 0.298 339 F C 1.845 177.812 175.800 0.278 0.000 1.088 339 F CA 0.393 58.546 58.000 0.255 0.000 1.358 339 F CB -0.291 38.786 39.000 0.129 0.000 1.040 339 F HN -0.005 nan 8.300 nan 0.000 0.505 340 L N 0.286 121.640 121.223 0.218 0.000 2.056 340 L HA -0.013 4.330 4.340 0.004 0.000 0.207 340 L C 2.661 179.554 176.870 0.038 0.000 1.078 340 L CA 1.987 56.789 54.840 -0.062 0.000 0.749 340 L CB -1.428 40.355 42.059 -0.460 0.000 0.901 340 L HN 0.218 nan 8.230 nan 0.000 0.433 341 G N -1.101 107.884 108.800 0.308 0.000 2.446 341 G HA2 -0.388 3.574 3.960 0.004 0.000 0.217 341 G HA3 -0.388 3.574 3.960 0.004 0.000 0.217 341 G C 1.597 176.598 174.900 0.168 0.000 1.168 341 G CA 0.969 46.220 45.100 0.252 0.000 0.771 341 G HN 0.440 nan 8.290 nan 0.000 0.551 342 F N 1.443 121.478 119.950 0.142 0.000 2.095 342 F HA -0.063 4.466 4.527 0.004 0.000 0.298 342 F C 2.400 178.183 175.800 -0.027 0.000 1.104 342 F CA 1.441 59.494 58.000 0.088 0.000 1.232 342 F CB -0.360 38.595 39.000 -0.076 0.000 0.987 342 F HN 0.075 nan 8.300 nan 0.000 0.475 343 L N -0.614 120.351 121.223 -0.431 0.000 2.083 343 L HA -0.248 4.095 4.340 0.004 0.000 0.209 343 L C 2.600 179.339 176.870 -0.219 0.000 1.083 343 L CA 1.588 56.151 54.840 -0.461 0.000 0.752 343 L CB -1.106 40.782 42.059 -0.286 0.000 0.899 343 L HN 0.537 nan 8.230 nan 0.000 0.433 344 W N 0.963 122.069 121.300 -0.324 0.000 2.333 344 W HA -0.284 4.379 4.660 0.006 0.000 0.316 344 W C 2.127 178.342 176.519 -0.508 0.000 1.215 344 W CA 1.416 58.506 57.345 -0.425 0.000 1.278 344 W CB -0.294 28.876 29.460 -0.484 0.000 1.154 344 W HN 0.065 nan 8.180 nan 0.000 0.486 345 F N -0.514 119.232 119.950 -0.339 0.000 2.325 345 F HA -0.092 4.438 4.527 0.005 0.000 0.299 345 F C 2.160 177.828 175.800 -0.221 0.000 1.090 345 F CA 1.022 58.787 58.000 -0.392 0.000 1.392 345 F CB -1.474 37.444 39.000 -0.136 0.000 1.053 345 F HN -0.168 nan 8.300 nan 0.000 0.521 346 F N 0.325 120.070 119.950 -0.342 0.000 2.163 346 F HA -0.107 4.423 4.527 0.004 0.000 0.297 346 F C 2.197 177.823 175.800 -0.291 0.000 1.094 346 F CA 0.852 58.627 58.000 -0.375 0.000 1.290 346 F CB -0.639 37.847 39.000 -0.856 0.000 1.017 346 F HN -0.033 nan 8.300 nan 0.000 0.483 347 L N 0.337 121.334 121.223 -0.376 0.000 2.012 347 L HA -0.199 4.143 4.340 0.004 0.000 0.210 347 L C 2.074 178.668 176.870 -0.460 0.000 1.073 347 L CA 1.930 56.498 54.840 -0.453 0.000 0.748 347 L CB -1.051 40.725 42.059 -0.472 0.000 0.891 347 L HN 0.205 nan 8.230 nan 0.000 0.431 348 L N -1.446 119.439 121.223 -0.564 0.000 2.046 348 L HA -0.225 4.117 4.340 0.004 0.000 0.208 348 L C 2.525 179.319 176.870 -0.126 0.000 1.077 348 L CA 1.561 56.127 54.840 -0.457 0.000 0.747 348 L CB -0.762 40.911 42.059 -0.643 0.000 0.896 348 L HN 0.362 nan 8.230 nan 0.000 0.432 349 F N 0.210 120.070 119.950 -0.151 0.000 2.134 349 F HA -0.248 4.281 4.527 0.004 0.000 0.299 349 F C 2.140 178.000 175.800 0.100 0.000 1.097 349 F CA 1.466 59.470 58.000 0.006 0.000 1.264 349 F CB -0.286 38.771 39.000 0.095 0.000 1.001 349 F HN -0.102 nan 8.300 nan 0.000 0.479 350 F N 0.249 119.974 119.950 -0.375 0.000 2.367 350 F HA 0.100 4.630 4.527 0.004 0.000 0.298 350 F C 2.485 178.161 175.800 -0.206 0.000 1.094 350 F CA 0.645 58.432 58.000 -0.355 0.000 1.409 350 F CB -1.425 37.350 39.000 -0.374 0.000 1.064 350 F HN 0.062 nan 8.300 nan 0.000 0.528 351 A N 0.099 122.919 122.820 0.001 0.000 1.877 351 A HA -0.064 4.258 4.320 0.004 0.000 0.216 351 A C 2.612 180.228 177.584 0.053 0.000 1.186 351 A CA 1.880 53.954 52.037 0.063 0.000 0.620 351 A CB -1.507 17.562 19.000 0.115 0.000 0.822 351 A HN 0.377 nan 8.150 nan 0.000 0.443 352 G N -0.415 108.373 108.800 -0.019 0.000 2.404 352 G HA2 -0.098 3.865 3.960 0.004 0.000 0.215 352 G HA3 -0.098 3.865 3.960 0.004 0.000 0.215 352 G C 1.477 176.366 174.900 -0.019 0.000 1.174 352 G CA 1.126 46.235 45.100 0.014 0.000 0.780 352 G HN 0.441 nan 8.290 nan 0.000 0.537 353 L N 1.887 122.943 121.223 -0.278 0.000 2.042 353 L HA -0.071 4.271 4.340 0.004 0.000 0.210 353 L C 3.095 179.849 176.870 -0.193 0.000 1.076 353 L CA 2.800 57.416 54.840 -0.373 0.000 0.749 353 L CB -1.093 40.517 42.059 -0.748 0.000 0.893 353 L HN 0.390 nan 8.230 nan 0.000 0.432 354 T N -4.913 109.596 114.554 -0.075 0.000 2.962 354 T HA -0.059 4.293 4.350 0.004 0.000 0.270 354 T C 1.802 176.494 174.700 -0.014 0.000 1.088 354 T CA 1.314 63.429 62.100 0.024 0.000 1.127 354 T CB -0.428 68.477 68.868 0.061 0.000 0.883 354 T HN 0.322 nan 8.240 nan 0.000 0.493 355 S N 1.563 117.236 115.700 -0.046 0.000 2.456 355 S HA 0.038 4.511 4.470 0.004 0.000 0.224 355 S C 2.425 176.877 174.600 -0.248 0.000 1.035 355 S CA 0.647 58.749 58.200 -0.164 0.000 0.940 355 S CB -0.131 62.973 63.200 -0.159 0.000 0.799 355 S HN 0.813 nan 8.310 nan 0.000 0.508 356 S N 3.025 118.664 115.700 -0.103 0.000 2.406 356 S HA -0.032 4.440 4.470 0.004 0.000 0.228 356 S C 1.964 176.495 174.600 -0.116 0.000 1.020 356 S CA 0.886 59.026 58.200 -0.099 0.000 0.965 356 S CB -0.948 62.278 63.200 0.043 0.000 0.798 356 S HN 0.692 nan 8.310 nan 0.000 0.488 357 I N 0.008 120.515 120.570 -0.104 0.000 2.493 357 I HA 0.094 4.266 4.170 0.004 0.000 0.254 357 I C 2.496 178.617 176.117 0.006 0.000 1.160 357 I CA 1.113 62.375 61.300 -0.063 0.000 1.445 357 I CB -0.719 37.236 38.000 -0.075 0.000 1.086 357 I HN 0.326 nan 8.210 nan 0.000 0.433 358 A N 2.654 125.433 122.820 -0.069 0.000 1.970 358 A HA 0.082 4.404 4.320 0.004 0.000 0.216 358 A C 2.252 179.692 177.584 -0.241 0.000 1.170 358 A CA 1.325 53.229 52.037 -0.222 0.000 0.645 358 A CB -0.656 18.037 19.000 -0.512 0.000 0.816 358 A HN 0.688 nan 8.150 nan 0.000 0.447 359 I N -4.820 115.602 120.570 -0.246 0.000 3.793 359 I HA 0.224 4.397 4.170 0.004 0.000 0.315 359 I C 1.679 177.734 176.117 -0.103 0.000 1.275 359 I CA 0.443 61.617 61.300 -0.210 0.000 1.214 359 I CB 0.055 37.859 38.000 -0.327 0.000 1.018 359 I HN 0.102 nan 8.210 nan 0.000 0.439 360 M N 0.128 119.691 119.600 -0.062 0.000 2.514 360 M HA 0.068 4.551 4.480 0.004 0.000 0.258 360 M C 2.031 178.350 176.300 0.032 0.000 1.159 360 M CA 0.470 55.766 55.300 -0.007 0.000 1.116 360 M CB 0.172 32.768 32.600 -0.006 0.000 1.333 360 M HN 0.180 nan 8.290 nan 0.000 0.487 361 Q N 1.559 121.391 119.800 0.052 0.000 2.170 361 Q HA -0.077 4.266 4.340 0.004 0.000 0.203 361 Q C -1.073 175.004 176.000 0.127 0.000 0.976 361 Q CA 1.976 57.847 55.803 0.113 0.000 0.858 361 Q CB -1.254 27.623 28.738 0.232 0.000 0.907 361 Q HN 0.227 nan 8.270 nan 0.000 0.433 362 P HA -0.127 nan 4.420 nan 0.000 0.217 362 P C 1.103 178.459 177.300 0.093 0.000 1.150 362 P CA 1.249 64.398 63.100 0.081 0.000 0.832 362 P CB -0.126 31.591 31.700 0.028 0.000 0.787 363 M N -0.875 118.769 119.600 0.074 0.000 2.099 363 M HA -0.079 4.403 4.480 0.004 0.000 0.262 363 M C 1.906 178.304 176.300 0.164 0.000 1.067 363 M CA 1.702 57.062 55.300 0.100 0.000 1.124 363 M CB -1.308 31.343 32.600 0.084 0.000 1.353 363 M HN -0.220 nan 8.290 nan 0.000 0.410 364 I N -0.038 120.610 120.570 0.130 0.000 2.163 364 I HA -0.313 3.859 4.170 0.004 0.000 0.243 364 I C 2.342 178.530 176.117 0.118 0.000 1.085 364 I CA 1.473 62.844 61.300 0.118 0.000 1.347 364 I CB -0.731 37.314 38.000 0.076 0.000 1.044 364 I HN 0.397 nan 8.210 nan 0.000 0.408 365 A N 0.070 122.971 122.820 0.136 0.000 1.969 365 A HA -0.222 4.100 4.320 0.004 0.000 0.218 365 A C 2.209 179.855 177.584 0.103 0.000 1.169 365 A CA 1.187 53.300 52.037 0.127 0.000 0.635 365 A CB -0.881 18.209 19.000 0.149 0.000 0.810 365 A HN 0.460 nan 8.150 nan 0.000 0.445 366 F N 0.732 120.681 119.950 -0.002 0.000 2.102 366 F HA -0.138 4.392 4.527 0.004 0.000 0.298 366 F C 1.865 177.646 175.800 -0.031 0.000 1.105 366 F CA 1.819 59.799 58.000 -0.033 0.000 1.239 366 F CB -0.286 38.674 39.000 -0.066 0.000 0.991 366 F HN 0.138 nan 8.300 nan 0.000 0.474 367 L N -0.042 121.223 121.223 0.070 0.000 2.083 367 L HA -0.198 4.145 4.340 0.004 0.000 0.209 367 L C 2.319 179.136 176.870 -0.088 0.000 1.083 367 L CA 1.636 56.461 54.840 -0.025 0.000 0.752 367 L CB -0.748 41.378 42.059 0.113 0.000 0.899 367 L HN 0.219 nan 8.230 nan 0.000 0.433 368 E N -0.118 120.055 120.200 -0.045 0.000 2.028 368 E HA -0.169 4.183 4.350 0.004 0.000 0.190 368 E C 1.772 178.311 176.600 -0.101 0.000 0.984 368 E CA 1.178 57.548 56.400 -0.050 0.000 0.800 368 E CB 0.033 29.724 29.700 -0.015 0.000 0.758 368 E HN 0.440 nan 8.360 nan 0.000 0.448 369 D N 0.448 120.775 120.400 -0.120 0.000 2.103 369 D HA -0.114 4.529 4.640 0.004 0.000 0.199 369 D C 1.804 178.003 176.300 -0.168 0.000 0.978 369 D CA 1.043 54.969 54.000 -0.122 0.000 0.829 369 D CB -0.006 40.760 40.800 -0.057 0.000 0.981 369 D HN 0.138 nan 8.370 nan 0.000 0.464 370 E N -0.163 119.826 120.200 -0.352 0.000 2.251 370 E HA 0.132 4.485 4.350 0.004 0.000 0.194 370 E C 2.028 178.382 176.600 -0.411 0.000 0.964 370 E CA 0.112 56.245 56.400 -0.445 0.000 0.868 370 E CB 0.395 29.592 29.700 -0.839 0.000 0.828 370 E HN 0.283 nan 8.360 nan 0.000 0.481 371 L N 0.727 121.699 121.223 -0.417 0.000 2.640 371 L HA 0.185 4.528 4.340 0.004 0.000 0.230 371 L C 0.068 176.845 176.870 -0.155 0.000 1.123 371 L CA -0.166 54.514 54.840 -0.265 0.000 0.900 371 L CB 0.175 42.087 42.059 -0.245 0.000 1.146 371 L HN -0.159 nan 8.230 nan 0.000 0.484 372 K N 0.403 120.718 120.400 -0.142 0.000 3.069 372 K HA -0.185 4.137 4.320 0.004 0.000 0.267 372 K C -0.214 176.365 176.600 -0.034 0.000 1.082 372 K CA 0.516 56.754 56.287 -0.082 0.000 0.782 372 K CB -1.853 30.604 32.500 -0.072 0.000 1.230 372 K HN 0.146 nan 8.250 nan 0.000 0.488 373 L N 0.905 122.117 121.223 -0.018 0.000 2.417 373 L HA 0.102 4.445 4.340 0.004 0.000 0.268 373 L C 1.377 178.281 176.870 0.056 0.000 1.158 373 L CA 0.450 55.326 54.840 0.060 0.000 0.819 373 L CB 0.897 43.017 42.059 0.100 0.000 1.112 373 L HN 0.308 nan 8.230 nan 0.000 0.458 374 S N 2.693 118.448 115.700 0.091 0.000 2.589 374 S HA 0.138 4.610 4.470 0.004 0.000 0.265 374 S C 1.269 175.864 174.600 -0.010 0.000 1.342 374 S CA -0.174 58.029 58.200 0.005 0.000 1.005 374 S CB 0.459 63.622 63.200 -0.061 0.000 0.909 374 S HN 0.659 nan 8.310 nan 0.000 0.555 375 R N 1.130 121.597 120.500 -0.055 0.000 2.091 375 R HA -0.136 4.206 4.340 0.004 0.000 0.238 375 R C 2.326 178.589 176.300 -0.062 0.000 1.136 375 R CA 1.778 57.844 56.100 -0.057 0.000 0.959 375 R CB -0.399 29.847 30.300 -0.090 0.000 0.856 375 R HN 0.837 nan 8.270 nan 0.000 0.437 376 K N -0.480 119.840 120.400 -0.134 0.000 2.009 376 K HA -0.224 4.098 4.320 0.004 0.000 0.210 376 K C 1.834 178.385 176.600 -0.083 0.000 1.049 376 K CA 2.229 58.413 56.287 -0.171 0.000 0.929 376 K CB -0.186 32.130 32.500 -0.307 0.000 0.714 376 K HN 0.495 nan 8.250 nan 0.000 0.440 377 H N -0.940 118.167 119.070 0.063 0.000 2.395 377 H HA 0.016 4.574 4.556 0.004 0.000 0.299 377 H C 1.994 177.472 175.328 0.249 0.000 1.070 377 H CA 0.696 56.838 56.048 0.157 0.000 1.356 377 H CB 0.098 29.996 29.762 0.227 0.000 1.401 377 H HN 0.349 nan 8.280 nan 0.000 0.524 378 A N 0.672 123.652 122.820 0.266 0.000 1.902 378 A HA -0.136 4.186 4.320 0.004 0.000 0.217 378 A C 2.510 180.206 177.584 0.186 0.000 1.181 378 A CA 1.532 53.701 52.037 0.219 0.000 0.623 378 A CB -0.760 18.314 19.000 0.124 0.000 0.818 378 A HN 0.217 nan 8.150 nan 0.000 0.443 379 V N 0.008 119.983 119.914 0.103 0.000 2.307 379 V HA -0.219 3.904 4.120 0.004 0.000 0.245 379 V C 2.569 178.702 176.094 0.065 0.000 1.045 379 V CA 1.860 64.193 62.300 0.054 0.000 1.024 379 V CB -0.713 31.099 31.823 -0.018 0.000 0.651 379 V HN 0.557 nan 8.190 nan 0.000 0.449 380 L N -1.850 119.401 121.223 0.047 0.000 2.046 380 L HA -0.185 4.158 4.340 0.004 0.000 0.208 380 L C 2.413 179.275 176.870 -0.013 0.000 1.077 380 L CA 1.960 56.782 54.840 -0.030 0.000 0.747 380 L CB -0.506 41.487 42.059 -0.109 0.000 0.896 380 L HN 0.381 nan 8.230 nan 0.000 0.432 381 W N 0.075 121.438 121.300 0.105 0.000 2.363 381 W HA -0.177 4.485 4.660 0.004 0.000 0.296 381 W C 2.698 179.297 176.519 0.133 0.000 1.212 381 W CA 1.311 58.726 57.345 0.118 0.000 1.260 381 W CB -0.456 29.078 29.460 0.124 0.000 1.131 381 W HN 0.027 nan 8.180 nan 0.000 0.530 382 T N -0.000 114.759 114.554 0.342 0.000 2.708 382 T HA -0.203 4.149 4.350 0.004 0.000 0.266 382 T C 1.953 176.779 174.700 0.209 0.000 1.037 382 T CA 1.729 63.978 62.100 0.249 0.000 1.146 382 T CB -0.753 68.219 68.868 0.173 0.000 0.865 382 T HN 0.192 nan 8.240 nan 0.000 0.435 383 A N 1.481 124.392 122.820 0.151 0.000 1.902 383 A HA 0.138 4.460 4.320 0.004 0.000 0.217 383 A C 2.651 180.362 177.584 0.212 0.000 1.181 383 A CA 1.871 53.982 52.037 0.124 0.000 0.623 383 A CB -1.134 17.884 19.000 0.031 0.000 0.818 383 A HN 0.505 nan 8.150 nan 0.000 0.443 384 A N -0.021 122.921 122.820 0.204 0.000 1.902 384 A HA -0.108 4.215 4.320 0.004 0.000 0.217 384 A C 2.130 179.960 177.584 0.409 0.000 1.181 384 A CA 1.588 53.794 52.037 0.281 0.000 0.623 384 A CB -0.625 18.458 19.000 0.139 0.000 0.818 384 A HN 0.510 nan 8.150 nan 0.000 0.443 385 I N -0.624 120.173 120.570 0.378 0.000 2.179 385 I HA -0.215 3.958 4.170 0.004 0.000 0.242 385 I C 2.368 178.718 176.117 0.388 0.000 1.088 385 I CA 1.203 62.726 61.300 0.371 0.000 1.357 385 I CB -0.369 37.824 38.000 0.321 0.000 1.051 385 I HN 0.158 nan 8.210 nan 0.000 0.409 386 V N 0.697 120.809 119.914 0.330 0.000 2.295 386 V HA -0.302 3.821 4.120 0.004 0.000 0.246 386 V C 2.278 178.601 176.094 0.382 0.000 1.049 386 V CA 1.969 64.450 62.300 0.301 0.000 1.024 386 V CB -0.708 31.249 31.823 0.224 0.000 0.648 386 V HN 0.374 nan 8.190 nan 0.000 0.447 387 F N 0.707 120.830 119.950 0.288 0.000 2.069 387 F HA -0.261 4.269 4.527 0.004 0.000 0.298 387 F C 2.146 178.223 175.800 0.462 0.000 1.113 387 F CA 2.049 60.267 58.000 0.364 0.000 1.214 387 F CB -0.691 38.464 39.000 0.258 0.000 0.978 387 F HN 0.199 nan 8.300 nan 0.000 0.474 388 F N 1.011 121.090 119.950 0.216 0.000 2.046 388 F HA -0.217 4.313 4.527 0.004 0.000 0.297 388 F C 2.522 178.412 175.800 0.150 0.000 1.123 388 F CA 2.290 60.361 58.000 0.118 0.000 1.199 388 F CB -1.105 37.992 39.000 0.162 0.000 0.972 388 F HN -0.025 nan 8.300 nan 0.000 0.474 389 S N 0.594 116.350 115.700 0.094 0.000 2.400 389 S HA -0.176 4.297 4.470 0.004 0.000 0.232 389 S C 2.190 176.698 174.600 -0.153 0.000 1.025 389 S CA 0.989 59.181 58.200 -0.014 0.000 0.993 389 S CB -0.936 62.489 63.200 0.375 0.000 0.808 389 S HN 0.569 nan 8.310 nan 0.000 0.478 390 A N 0.865 123.616 122.820 -0.115 0.000 2.178 390 A HA -0.109 4.213 4.320 0.004 0.000 0.218 390 A C 1.542 178.792 177.584 -0.556 0.000 1.157 390 A CA 1.201 53.059 52.037 -0.299 0.000 0.689 390 A CB -0.728 18.096 19.000 -0.293 0.000 0.787 390 A HN 0.554 nan 8.150 nan 0.000 0.465 391 H N -1.422 117.366 119.070 -0.470 0.000 2.456 391 H HA -0.052 4.507 4.556 0.004 0.000 0.296 391 H C 1.781 177.006 175.328 -0.171 0.000 1.079 391 H CA 1.387 57.260 56.048 -0.291 0.000 1.322 391 H CB -0.029 29.560 29.762 -0.289 0.000 1.388 391 H HN 0.401 nan 8.280 nan 0.000 0.538 392 L N -0.182 120.919 121.223 -0.205 0.000 2.056 392 L HA -0.112 4.230 4.340 0.004 0.000 0.207 392 L C 2.104 178.900 176.870 -0.123 0.000 1.078 392 L CA 1.094 55.836 54.840 -0.164 0.000 0.749 392 L CB -0.411 41.494 42.059 -0.257 0.000 0.901 392 L HN 0.117 nan 8.230 nan 0.000 0.433 393 V N -0.772 119.034 119.914 -0.180 0.000 2.427 393 V HA -0.294 3.829 4.120 0.004 0.000 0.248 393 V C 2.477 178.405 176.094 -0.277 0.000 1.051 393 V CA 1.860 64.071 62.300 -0.149 0.000 1.048 393 V CB -0.473 31.303 31.823 -0.079 0.000 0.666 393 V HN 0.405 nan 8.190 nan 0.000 0.456 394 M N -1.507 117.724 119.600 -0.615 0.000 2.200 394 M HA -0.040 4.443 4.480 0.004 0.000 0.265 394 M C 1.738 177.611 176.300 -0.713 0.000 1.066 394 M CA 2.013 56.773 55.300 -0.901 0.000 1.127 394 M CB -0.158 31.610 32.600 -1.386 0.000 1.379 394 M HN 0.344 nan 8.290 nan 0.000 0.420 395 F N -1.206 118.629 119.950 -0.192 0.000 2.727 395 F HA 0.277 4.806 4.527 0.005 0.000 0.302 395 F C 0.279 176.013 175.800 -0.109 0.000 1.107 395 F CA -0.378 57.544 58.000 -0.130 0.000 1.277 395 F CB 0.461 39.389 39.000 -0.119 0.000 1.079 395 F HN -0.082 nan 8.300 nan 0.000 0.594 396 L N 1.193 122.436 121.223 0.033 0.000 2.280 396 L HA 0.409 4.752 4.340 0.004 0.000 0.287 396 L C -0.231 176.610 176.870 -0.048 0.000 1.023 396 L CA -0.642 54.189 54.840 -0.014 0.000 0.819 396 L CB 0.454 42.503 42.059 -0.018 0.000 1.212 396 L HN -0.113 nan 8.230 nan 0.000 0.420 397 N N 4.209 122.861 118.700 -0.080 0.000 2.492 397 N HA 0.114 4.857 4.740 0.004 0.000 0.262 397 N C 0.174 175.631 175.510 -0.088 0.000 1.202 397 N CA 0.429 53.422 53.050 -0.096 0.000 0.926 397 N CB 0.441 38.843 38.487 -0.142 0.000 1.078 397 N HN 0.429 nan 8.380 nan 0.000 0.454 398 K N -0.075 120.291 120.400 -0.055 0.000 3.500 398 K HA -0.208 4.115 4.320 0.004 0.000 0.313 398 K C 1.051 177.641 176.600 -0.016 0.000 1.338 398 K CA 1.045 57.309 56.287 -0.039 0.000 0.963 398 K CB -2.156 30.308 32.500 -0.060 0.000 1.267 398 K HN 0.512 nan 8.250 nan 0.000 0.448 399 S N 0.536 116.232 115.700 -0.006 0.000 2.383 399 S HA 0.035 4.507 4.470 0.004 0.000 0.227 399 S C 1.792 176.404 174.600 0.021 0.000 1.026 399 S CA 1.200 59.413 58.200 0.023 0.000 0.981 399 S CB 0.007 63.216 63.200 0.015 0.000 0.818 399 S HN 0.433 nan 8.310 nan 0.000 0.472 400 L N 1.234 122.461 121.223 0.006 0.000 2.012 400 L HA -0.166 4.177 4.340 0.004 0.000 0.210 400 L C 1.716 178.473 176.870 -0.188 0.000 1.073 400 L CA 2.425 57.224 54.840 -0.068 0.000 0.748 400 L CB -0.595 41.495 42.059 0.051 0.000 0.891 400 L HN 0.268 nan 8.230 nan 0.000 0.431 401 D N -0.716 119.641 120.400 -0.072 0.000 2.144 401 D HA -0.219 4.424 4.640 0.004 0.000 0.199 401 D C 2.043 178.319 176.300 -0.040 0.000 0.984 401 D CA 1.114 55.073 54.000 -0.069 0.000 0.834 401 D CB -0.011 40.762 40.800 -0.044 0.000 0.955 401 D HN 0.335 nan 8.370 nan 0.000 0.465 402 E N 0.006 120.214 120.200 0.013 0.000 2.072 402 E HA -0.059 4.293 4.350 0.004 0.000 0.191 402 E C 1.960 178.705 176.600 0.243 0.000 0.985 402 E CA 0.892 57.374 56.400 0.137 0.000 0.801 402 E CB -0.043 29.767 29.700 0.183 0.000 0.750 402 E HN 0.250 nan 8.360 nan 0.000 0.452 403 M N -0.110 119.572 119.600 0.136 0.000 2.175 403 M HA -0.121 4.362 4.480 0.004 0.000 0.264 403 M C 1.842 178.209 176.300 0.112 0.000 1.063 403 M CA 1.773 57.172 55.300 0.164 0.000 1.119 403 M CB -0.294 32.414 32.600 0.180 0.000 1.377 403 M HN 0.072 nan 8.290 nan 0.000 0.415 404 D N 0.151 120.441 120.400 -0.183 0.000 2.178 404 D HA -0.169 4.473 4.640 0.004 0.000 0.202 404 D C 1.679 178.044 176.300 0.107 0.000 0.974 404 D CA 1.020 54.966 54.000 -0.089 0.000 0.841 404 D CB 0.062 40.675 40.800 -0.313 0.000 0.953 404 D HN 0.255 nan 8.370 nan 0.000 0.478 405 F N -0.637 119.249 119.950 -0.105 0.000 2.074 405 F HA 0.018 4.548 4.527 0.004 0.000 0.293 405 F C 1.584 177.262 175.800 -0.203 0.000 1.116 405 F CA 1.310 59.177 58.000 -0.223 0.000 1.212 405 F CB -0.631 38.092 39.000 -0.462 0.000 0.998 405 F HN 0.025 nan 8.300 nan 0.000 0.471 406 W N 0.069 121.392 121.300 0.038 0.000 2.388 406 W HA -0.036 4.628 4.660 0.005 0.000 0.294 406 W C 2.453 178.992 176.519 0.033 0.000 1.212 406 W CA 1.352 58.689 57.345 -0.012 0.000 1.271 406 W CB -0.609 28.994 29.460 0.237 0.000 1.126 406 W HN 0.127 nan 8.180 nan 0.000 0.535 407 A N -0.524 122.428 122.820 0.219 0.000 1.909 407 A HA 0.241 4.563 4.320 0.004 0.000 0.209 407 A C 2.082 179.690 177.584 0.040 0.000 1.247 407 A CA 1.131 53.212 52.037 0.073 0.000 0.660 407 A CB -1.205 17.685 19.000 -0.183 0.000 0.910 407 A HN 0.193 nan 8.150 nan 0.000 0.465 408 G N -1.597 107.321 108.800 0.196 0.000 2.985 408 G HA2 0.286 4.248 3.960 0.004 0.000 0.209 408 G HA3 0.286 4.248 3.960 0.004 0.000 0.209 408 G C 0.974 176.056 174.900 0.304 0.000 1.165 408 G CA 1.477 46.804 45.100 0.379 0.000 0.776 408 G HN 0.441 nan 8.290 nan 0.000 0.541 409 T N -0.025 114.551 114.554 0.037 0.000 3.400 409 T HA 0.110 4.463 4.350 0.004 0.000 0.228 409 T C 1.923 176.444 174.700 -0.298 0.000 0.992 409 T CA 0.065 62.160 62.100 -0.008 0.000 1.222 409 T CB -0.176 68.717 68.868 0.042 0.000 1.236 409 T HN 0.019 nan 8.240 nan 0.000 0.357 410 I N 2.139 122.242 120.570 -0.780 0.000 2.286 410 I HA 0.135 4.308 4.170 0.004 0.000 0.245 410 I C 2.413 178.238 176.117 -0.486 0.000 1.104 410 I CA 1.419 62.103 61.300 -1.027 0.000 1.397 410 I CB -0.628 36.535 38.000 -1.394 0.000 1.072 410 I HN 0.375 nan 8.210 nan 0.000 0.417 411 G N 0.063 108.715 108.800 -0.247 0.000 2.440 411 G HA2 -0.249 3.714 3.960 0.004 0.000 0.218 411 G HA3 -0.249 3.714 3.960 0.004 0.000 0.218 411 G C 1.712 176.603 174.900 -0.015 0.000 1.154 411 G CA 1.554 46.657 45.100 0.004 0.000 0.767 411 G HN 0.458 nan 8.290 nan 0.000 0.552 412 V N -1.014 118.783 119.914 -0.195 0.000 2.427 412 V HA -0.098 4.025 4.120 0.004 0.000 0.248 412 V C 2.702 178.552 176.094 -0.406 0.000 1.051 412 V CA 1.649 63.792 62.300 -0.262 0.000 1.048 412 V CB -0.797 30.752 31.823 -0.455 0.000 0.666 412 V HN 0.154 nan 8.190 nan 0.000 0.456 413 V N 0.301 119.825 119.914 -0.650 0.000 2.307 413 V HA -0.185 3.938 4.120 0.004 0.000 0.245 413 V C 2.389 178.290 176.094 -0.322 0.000 1.045 413 V CA 2.489 64.266 62.300 -0.872 0.000 1.024 413 V CB -1.040 30.496 31.823 -0.477 0.000 0.651 413 V HN 0.608 nan 8.190 nan 0.000 0.449 414 F N 0.578 120.343 119.950 -0.308 0.000 2.091 414 F HA -0.271 4.259 4.527 0.004 0.000 0.299 414 F C 2.072 177.818 175.800 -0.089 0.000 1.103 414 F CA 2.010 59.889 58.000 -0.202 0.000 1.228 414 F CB -0.524 38.321 39.000 -0.259 0.000 0.984 414 F HN 0.172 nan 8.300 nan 0.000 0.477 415 F N 1.121 120.871 119.950 -0.334 0.000 2.259 415 F HA 0.115 4.645 4.527 0.004 0.000 0.298 415 F C 2.390 178.117 175.800 -0.122 0.000 1.088 415 F CA 1.249 59.071 58.000 -0.297 0.000 1.358 415 F CB -1.083 37.889 39.000 -0.045 0.000 1.040 415 F HN 0.029 nan 8.300 nan 0.000 0.505 416 G N 0.452 109.259 108.800 0.013 0.000 2.421 416 G HA2 -0.294 3.669 3.960 0.004 0.000 0.216 416 G HA3 -0.294 3.669 3.960 0.004 0.000 0.216 416 G C 1.662 176.523 174.900 -0.064 0.000 1.171 416 G CA 1.017 46.206 45.100 0.148 0.000 0.775 416 G HN 0.401 nan 8.290 nan 0.000 0.543 417 L N 0.919 122.060 121.223 -0.136 0.000 2.017 417 L HA -0.033 4.310 4.340 0.004 0.000 0.208 417 L C 2.986 179.637 176.870 -0.365 0.000 1.073 417 L CA 2.619 57.321 54.840 -0.229 0.000 0.745 417 L CB -0.916 41.023 42.059 -0.201 0.000 0.894 417 L HN 0.210 nan 8.230 nan 0.000 0.432 418 T N 0.059 114.320 114.554 -0.488 0.000 2.684 418 T HA -0.237 4.116 4.350 0.004 0.000 0.267 418 T C 1.603 176.009 174.700 -0.491 0.000 1.036 418 T CA 1.771 63.566 62.100 -0.509 0.000 1.148 418 T CB -0.376 68.132 68.868 -0.600 0.000 0.863 418 T HN 0.709 nan 8.240 nan 0.000 0.436 419 E N 1.114 121.014 120.200 -0.499 0.000 2.150 419 E HA -0.054 4.298 4.350 0.004 0.000 0.193 419 E C 2.331 178.798 176.600 -0.221 0.000 0.985 419 E CA 0.729 56.890 56.400 -0.398 0.000 0.814 419 E CB -0.535 28.991 29.700 -0.290 0.000 0.752 419 E HN 0.434 nan 8.360 nan 0.000 0.466 420 L N 0.774 121.871 121.223 -0.210 0.000 2.056 420 L HA -0.081 4.261 4.340 0.004 0.000 0.207 420 L C 2.485 179.194 176.870 -0.268 0.000 1.078 420 L CA 1.069 55.818 54.840 -0.151 0.000 0.749 420 L CB -0.083 41.841 42.059 -0.224 0.000 0.901 420 L HN 0.140 nan 8.230 nan 0.000 0.433 421 I N -0.293 120.003 120.570 -0.457 0.000 2.179 421 I HA -0.345 3.828 4.170 0.004 0.000 0.242 421 I C 2.366 178.330 176.117 -0.256 0.000 1.088 421 I CA 1.564 62.539 61.300 -0.541 0.000 1.357 421 I CB -0.211 37.491 38.000 -0.497 0.000 1.051 421 I HN 0.242 nan 8.210 nan 0.000 0.409 422 I N -0.241 120.160 120.570 -0.282 0.000 2.179 422 I HA -0.330 3.843 4.170 0.004 0.000 0.242 422 I C 2.457 178.558 176.117 -0.027 0.000 1.088 422 I CA 1.550 62.700 61.300 -0.250 0.000 1.357 422 I CB -0.321 37.386 38.000 -0.488 0.000 1.051 422 I HN 0.165 nan 8.210 nan 0.000 0.409 423 F N 0.503 120.364 119.950 -0.149 0.000 2.163 423 F HA -0.141 4.388 4.527 0.004 0.000 0.297 423 F C 2.006 177.837 175.800 0.052 0.000 1.094 423 F CA 1.517 59.493 58.000 -0.040 0.000 1.290 423 F CB -0.300 38.690 39.000 -0.016 0.000 1.017 423 F HN -0.102 nan 8.300 nan 0.000 0.483 424 F N -2.424 117.483 119.950 -0.071 0.000 2.656 424 F HA 0.007 4.537 4.527 0.005 0.000 0.291 424 F C 1.305 177.181 175.800 0.127 0.000 1.122 424 F CA 0.428 58.369 58.000 -0.098 0.000 1.427 424 F CB -0.155 38.775 39.000 -0.117 0.000 1.125 424 F HN -0.059 nan 8.300 nan 0.000 0.583 425 W N -0.764 120.498 121.300 -0.065 0.000 2.777 425 W HA 0.306 4.968 4.660 0.004 0.000 0.260 425 W C 1.884 178.289 176.519 -0.190 0.000 1.194 425 W CA -0.007 57.257 57.345 -0.136 0.000 1.447 425 W CB -0.678 28.700 29.460 -0.138 0.000 1.009 425 W HN -0.130 nan 8.180 nan 0.000 0.613 426 I N -1.508 119.062 120.570 0.001 0.000 2.685 426 I HA -0.113 4.059 4.170 0.004 0.000 0.251 426 I C 2.214 178.289 176.117 -0.071 0.000 1.102 426 I CA 0.698 61.895 61.300 -0.172 0.000 1.442 426 I CB -0.724 36.971 38.000 -0.509 0.000 1.194 426 I HN -0.269 nan 8.210 nan 0.000 0.448 427 F N 2.221 122.073 119.950 -0.163 0.000 2.171 427 F HA 0.137 4.666 4.527 0.004 0.000 0.300 427 F C 1.044 176.722 175.800 -0.204 0.000 1.090 427 F CA 1.221 59.130 58.000 -0.151 0.000 1.293 427 F CB -0.173 38.734 39.000 -0.155 0.000 1.013 427 F HN 0.104 nan 8.300 nan 0.000 0.486 428 G N -0.940 107.684 108.800 -0.295 0.000 3.239 428 G HA2 0.296 4.258 3.960 0.004 0.000 0.666 428 G HA3 0.296 4.258 3.960 0.004 0.000 0.666 428 G C 0.352 174.989 174.900 -0.438 0.000 1.313 428 G CA -0.436 44.444 45.100 -0.366 0.000 1.001 428 G HN 0.610 nan 8.290 nan 0.000 0.573 429 A N 1.766 124.398 122.820 -0.313 0.000 1.892 429 A HA -0.053 4.270 4.320 0.004 0.000 0.218 429 A C 2.084 179.500 177.584 -0.280 0.000 1.188 429 A CA 2.624 54.415 52.037 -0.410 0.000 0.631 429 A CB -0.312 18.647 19.000 -0.068 0.000 0.822 429 A HN 0.711 nan 8.150 nan 0.000 0.447 430 D N -0.325 120.019 120.400 -0.092 0.000 2.117 430 D HA -0.104 4.538 4.640 0.004 0.000 0.198 430 D C 1.905 178.152 176.300 -0.088 0.000 0.982 430 D CA 1.344 55.334 54.000 -0.017 0.000 0.828 430 D CB -0.317 40.449 40.800 -0.056 0.000 0.967 430 D HN 0.513 nan 8.370 nan 0.000 0.464 431 K N 0.780 121.022 120.400 -0.264 0.000 2.057 431 K HA -0.015 4.307 4.320 0.004 0.000 0.206 431 K C 2.187 178.653 176.600 -0.223 0.000 1.050 431 K CA 0.993 57.098 56.287 -0.302 0.000 0.935 431 K CB -0.038 32.046 32.500 -0.694 0.000 0.715 431 K HN 0.012 nan 8.250 nan 0.000 0.439 432 A N 1.643 124.154 122.820 -0.514 0.000 1.877 432 A HA -0.201 4.122 4.320 0.004 0.000 0.216 432 A C 1.938 179.310 177.584 -0.353 0.000 1.186 432 A CA 1.148 52.617 52.037 -0.947 0.000 0.620 432 A CB -0.997 16.771 19.000 -2.053 0.000 0.822 432 A HN 0.602 nan 8.150 nan 0.000 0.443 433 W N 1.039 122.106 121.300 -0.388 0.000 2.335 433 W HA -0.252 4.411 4.660 0.004 0.000 0.311 433 W C 2.005 178.523 176.519 -0.002 0.000 1.213 433 W CA 2.446 59.777 57.345 -0.023 0.000 1.274 433 W CB -0.261 29.277 29.460 0.129 0.000 1.148 433 W HN 0.562 nan 8.180 nan 0.000 0.498 434 E N 0.999 121.247 120.200 0.080 0.000 2.070 434 E HA -0.334 4.019 4.350 0.004 0.000 0.197 434 E C 1.891 178.476 176.600 -0.025 0.000 1.004 434 E CA 2.335 58.737 56.400 0.004 0.000 0.805 434 E CB -0.668 29.060 29.700 0.046 0.000 0.744 434 E HN 0.139 nan 8.360 nan 0.000 0.451 435 E N 0.129 120.357 120.200 0.047 0.000 2.153 435 E HA -0.117 4.236 4.350 0.004 0.000 0.194 435 E C 1.909 178.569 176.600 0.100 0.000 0.988 435 E CA 1.442 57.922 56.400 0.133 0.000 0.811 435 E CB -0.300 29.550 29.700 0.250 0.000 0.746 435 E HN 0.522 nan 8.360 nan 0.000 0.466 436 I N 0.709 121.303 120.570 0.040 0.000 2.142 436 I HA -0.267 3.906 4.170 0.004 0.000 0.240 436 I C 1.946 177.916 176.117 -0.245 0.000 1.078 436 I CA 1.269 62.528 61.300 -0.068 0.000 1.343 436 I CB -0.358 37.555 38.000 -0.144 0.000 1.046 436 I HN 0.126 nan 8.210 nan 0.000 0.405 437 N N 0.812 119.275 118.700 -0.394 0.000 2.457 437 N HA -0.082 4.660 4.740 0.004 0.000 0.180 437 N C 0.906 176.296 175.510 -0.199 0.000 1.050 437 N CA 0.181 52.993 53.050 -0.396 0.000 0.906 437 N CB -0.124 38.045 38.487 -0.530 0.000 0.968 437 N HN 0.281 nan 8.380 nan 0.000 0.445 438 R N 0.825 121.259 120.500 -0.111 0.000 2.473 438 R HA 0.051 4.394 4.340 0.004 0.000 0.315 438 R C 0.799 177.085 176.300 -0.023 0.000 0.972 438 R CA 0.936 57.014 56.100 -0.038 0.000 1.047 438 R CB -0.256 30.056 30.300 0.020 0.000 0.932 438 R HN 0.310 nan 8.270 nan 0.000 0.411 439 G N 2.596 111.380 108.800 -0.027 0.000 2.176 439 G HA2 -0.253 3.709 3.960 0.004 0.000 0.253 439 G HA3 -0.253 3.709 3.960 0.004 0.000 0.253 439 G C 0.372 175.252 174.900 -0.033 0.000 0.979 439 G CA -0.138 44.954 45.100 -0.014 0.000 0.641 439 G HN 0.935 nan 8.290 nan 0.000 0.530 440 G N -0.425 108.330 108.800 -0.074 0.000 2.441 440 G HA2 0.481 4.444 3.960 0.004 0.000 0.243 440 G HA3 0.481 4.444 3.960 0.004 0.000 0.243 440 G C 1.233 176.086 174.900 -0.079 0.000 1.281 440 G CA -0.007 45.031 45.100 -0.103 0.000 0.854 440 G HN 0.396 nan 8.290 nan 0.000 0.560 441 I N 1.253 121.782 120.570 -0.069 0.000 2.315 441 I HA 0.000 4.173 4.170 0.004 0.000 0.248 441 I C 1.190 177.275 176.117 -0.054 0.000 1.117 441 I CA 1.082 62.353 61.300 -0.048 0.000 1.404 441 I CB -0.288 37.691 38.000 -0.036 0.000 1.071 441 I HN 0.517 nan 8.210 nan 0.000 0.419 442 I N -2.722 117.801 120.570 -0.078 0.000 3.067 442 I HA 0.453 4.625 4.170 0.004 0.000 0.312 442 I C -0.531 175.500 176.117 -0.144 0.000 1.073 442 I CA -0.945 60.307 61.300 -0.081 0.000 1.016 442 I CB 1.644 39.611 38.000 -0.055 0.000 1.227 442 I HN -0.230 nan 8.210 nan 0.000 0.456 443 K N 1.884 122.205 120.400 -0.131 0.000 2.118 443 K HA 0.565 4.887 4.320 0.004 0.000 0.254 443 K C -1.002 175.451 176.600 -0.244 0.000 0.961 443 K CA -0.948 55.219 56.287 -0.200 0.000 0.876 443 K CB 2.330 34.769 32.500 -0.102 0.000 1.077 443 K HN 0.437 nan 8.250 nan 0.000 0.440 444 V N 4.178 123.819 119.914 -0.455 0.000 2.585 444 V HA 0.033 4.156 4.120 0.004 0.000 0.296 444 V C -2.044 174.100 176.094 0.082 0.000 1.035 444 V CA -1.321 60.695 62.300 -0.473 0.000 1.084 444 V CB 0.196 31.467 31.823 -0.919 0.000 0.953 444 V HN 0.667 nan 8.190 nan 0.000 0.483 445 P HA 0.045 nan 4.420 nan 0.000 0.264 445 P C 0.750 178.325 177.300 0.460 0.000 1.183 445 P CA 0.106 63.400 63.100 0.323 0.000 0.763 445 P CB 0.432 32.332 31.700 0.333 0.000 0.807 446 R N 2.772 123.466 120.500 0.323 0.000 2.159 446 R HA -0.159 4.184 4.340 0.004 0.000 0.237 446 R C 1.879 178.302 176.300 0.205 0.000 1.131 446 R CA 0.991 57.219 56.100 0.215 0.000 0.982 446 R CB -0.576 29.796 30.300 0.119 0.000 0.868 446 R HN 0.410 nan 8.270 nan 0.000 0.453 447 I N -0.041 120.662 120.570 0.222 0.000 2.335 447 I HA -0.284 3.889 4.170 0.004 0.000 0.251 447 I C 1.197 177.441 176.117 0.213 0.000 1.129 447 I CA 1.583 62.997 61.300 0.190 0.000 1.402 447 I CB -0.149 37.853 38.000 0.003 0.000 1.069 447 I HN 0.214 nan 8.210 nan 0.000 0.424 448 Y N -1.331 119.149 120.300 0.301 0.000 2.421 448 Y HA -0.267 4.285 4.550 0.004 0.000 0.292 448 Y C 2.265 178.322 175.900 0.261 0.000 1.136 448 Y CA 1.496 59.790 58.100 0.322 0.000 1.255 448 Y CB -0.421 38.312 38.460 0.454 0.000 0.991 448 Y HN 0.337 nan 8.280 nan 0.000 0.552 449 Y N -0.558 119.765 120.300 0.038 0.000 2.128 449 Y HA -0.386 4.166 4.550 0.004 0.000 0.284 449 Y C 1.706 177.475 175.900 -0.219 0.000 1.154 449 Y CA 1.810 59.706 58.100 -0.340 0.000 1.149 449 Y CB -0.764 37.029 38.460 -1.112 0.000 0.976 449 Y HN 0.116 nan 8.280 nan 0.000 0.505 450 Y N -1.189 119.234 120.300 0.205 0.000 2.293 450 Y HA -0.172 4.380 4.550 0.004 0.000 0.291 450 Y C 2.463 178.460 175.900 0.162 0.000 1.137 450 Y CA 1.285 59.539 58.100 0.257 0.000 1.202 450 Y CB -0.799 37.795 38.460 0.223 0.000 0.990 450 Y HN -0.008 nan 8.280 nan 0.000 0.537 451 V N -0.031 120.014 119.914 0.219 0.000 2.270 451 V HA -0.347 3.776 4.120 0.004 0.000 0.245 451 V C 2.234 178.343 176.094 0.026 0.000 1.043 451 V CA 2.059 64.444 62.300 0.141 0.000 1.014 451 V CB -0.638 31.285 31.823 0.167 0.000 0.645 451 V HN 0.413 nan 8.190 nan 0.000 0.447 452 M N -0.829 118.708 119.600 -0.104 0.000 2.202 452 M HA -0.195 4.287 4.480 0.004 0.000 0.262 452 M C 2.380 178.303 176.300 -0.629 0.000 1.063 452 M CA 1.777 56.799 55.300 -0.462 0.000 1.097 452 M CB -0.344 31.730 32.600 -0.875 0.000 1.382 452 M HN 0.184 nan 8.290 nan 0.000 0.413 453 R N -1.196 118.982 120.500 -0.537 0.000 2.206 453 R HA -0.013 4.329 4.340 0.004 0.000 0.198 453 R C 0.952 177.027 176.300 -0.375 0.000 0.986 453 R CA 0.867 56.672 56.100 -0.491 0.000 1.029 453 R CB 0.480 30.286 30.300 -0.823 0.000 0.966 453 R HN 0.335 nan 8.270 nan 0.000 0.487 454 Y N -1.596 118.774 120.300 0.118 0.000 2.784 454 Y HA 0.178 4.731 4.550 0.004 0.000 0.267 454 Y C 1.815 177.799 175.900 0.140 0.000 1.117 454 Y CA -0.418 57.787 58.100 0.175 0.000 1.231 454 Y CB 0.204 38.748 38.460 0.141 0.000 1.441 454 Y HN -0.149 nan 8.280 nan 0.000 0.469 455 I N 0.232 120.949 120.570 0.245 0.000 2.162 455 I HA -0.173 4.000 4.170 0.004 0.000 0.238 455 I C 2.008 178.220 176.117 0.159 0.000 1.076 455 I CA 1.693 63.090 61.300 0.162 0.000 1.353 455 I CB -1.589 36.469 38.000 0.095 0.000 1.063 455 I HN 0.191 nan 8.210 nan 0.000 0.408 456 T N 2.814 117.434 114.554 0.111 0.000 2.684 456 T HA -0.080 4.272 4.350 0.004 0.000 0.267 456 T C -0.370 174.396 174.700 0.111 0.000 1.036 456 T CA 1.845 64.019 62.100 0.124 0.000 1.148 456 T CB -1.510 67.378 68.868 0.032 0.000 0.863 456 T HN 0.299 nan 8.240 nan 0.000 0.436 457 P HA 0.039 nan 4.420 nan 0.000 0.217 457 P C 1.437 178.770 177.300 0.056 0.000 1.150 457 P CA 1.297 64.346 63.100 -0.086 0.000 0.832 457 P CB -0.173 31.337 31.700 -0.317 0.000 0.787 458 A N -0.587 122.333 122.820 0.168 0.000 1.930 458 A HA -0.162 4.161 4.320 0.004 0.000 0.217 458 A C 2.120 179.827 177.584 0.203 0.000 1.175 458 A CA 1.116 53.270 52.037 0.195 0.000 0.627 458 A CB -1.760 17.371 19.000 0.218 0.000 0.815 458 A HN 0.096 nan 8.150 nan 0.000 0.443 459 F N 0.635 120.623 119.950 0.063 0.000 2.146 459 F HA -0.082 4.447 4.527 0.004 0.000 0.298 459 F C 1.883 177.732 175.800 0.082 0.000 1.096 459 F CA 1.421 59.455 58.000 0.058 0.000 1.275 459 F CB -0.335 38.702 39.000 0.063 0.000 1.008 459 F HN 0.127 nan 8.300 nan 0.000 0.480 460 L N -0.487 120.746 121.223 0.017 0.000 2.093 460 L HA -0.128 4.215 4.340 0.004 0.000 0.208 460 L C 2.738 179.591 176.870 -0.030 0.000 1.085 460 L CA 1.025 55.834 54.840 -0.051 0.000 0.755 460 L CB -1.167 40.923 42.059 0.051 0.000 0.904 460 L HN 0.202 nan 8.230 nan 0.000 0.435 461 A N -0.241 122.585 122.820 0.009 0.000 1.902 461 A HA -0.141 4.182 4.320 0.004 0.000 0.217 461 A C 2.341 179.951 177.584 0.044 0.000 1.181 461 A CA 1.642 53.702 52.037 0.038 0.000 0.623 461 A CB -0.775 18.263 19.000 0.064 0.000 0.818 461 A HN 0.172 nan 8.150 nan 0.000 0.443 462 V N -0.449 119.481 119.914 0.026 0.000 2.295 462 V HA -0.238 3.885 4.120 0.004 0.000 0.246 462 V C 2.513 178.602 176.094 -0.008 0.000 1.049 462 V CA 1.996 64.308 62.300 0.019 0.000 1.024 462 V CB -0.706 31.133 31.823 0.027 0.000 0.648 462 V HN 0.578 nan 8.190 nan 0.000 0.447 463 L N -0.739 120.421 121.223 -0.104 0.000 2.046 463 L HA -0.161 4.181 4.340 0.004 0.000 0.208 463 L C 2.189 179.146 176.870 0.145 0.000 1.077 463 L CA 1.850 56.639 54.840 -0.085 0.000 0.747 463 L CB -0.291 41.608 42.059 -0.267 0.000 0.896 463 L HN 0.217 nan 8.230 nan 0.000 0.432 464 L N -2.056 119.263 121.223 0.161 0.000 2.141 464 L HA -0.167 4.176 4.340 0.004 0.000 0.209 464 L C 2.279 179.274 176.870 0.209 0.000 1.094 464 L CA 0.475 55.451 54.840 0.227 0.000 0.763 464 L CB -0.344 41.788 42.059 0.122 0.000 0.908 464 L HN 0.095 nan 8.230 nan 0.000 0.437 465 V N -1.035 118.971 119.914 0.154 0.000 2.323 465 V HA -0.204 3.919 4.120 0.004 0.000 0.244 465 V C 2.358 178.554 176.094 0.170 0.000 1.041 465 V CA 1.289 63.672 62.300 0.139 0.000 1.025 465 V CB 0.037 31.921 31.823 0.101 0.000 0.656 465 V HN 0.166 nan 8.190 nan 0.000 0.451 466 V N -1.134 118.883 119.914 0.172 0.000 2.343 466 V HA -0.269 3.854 4.120 0.004 0.000 0.247 466 V C 2.156 178.450 176.094 0.335 0.000 1.051 466 V CA 2.082 64.499 62.300 0.194 0.000 1.036 466 V CB -0.734 31.175 31.823 0.143 0.000 0.654 466 V HN 0.718 nan 8.190 nan 0.000 0.451 467 W N 1.034 122.433 121.300 0.165 0.000 2.335 467 W HA -0.209 4.454 4.660 0.006 0.000 0.311 467 W C 2.486 179.139 176.519 0.223 0.000 1.213 467 W CA 2.189 59.666 57.345 0.220 0.000 1.274 467 W CB -0.703 28.814 29.460 0.096 0.000 1.148 467 W HN 0.274 nan 8.180 nan 0.000 0.498 468 A N -0.158 122.890 122.820 0.381 0.000 2.206 468 A HA -0.022 4.301 4.320 0.004 0.000 0.211 468 A C 2.018 179.721 177.584 0.198 0.000 1.158 468 A CA 0.979 53.153 52.037 0.229 0.000 0.761 468 A CB -0.359 18.722 19.000 0.136 0.000 0.801 468 A HN 0.357 nan 8.150 nan 0.000 0.473 469 R N -1.299 119.319 120.500 0.196 0.000 2.287 469 R HA 0.112 4.454 4.340 0.004 0.000 0.197 469 R C 0.919 177.264 176.300 0.075 0.000 0.900 469 R CA 0.512 56.685 56.100 0.122 0.000 1.052 469 R CB 0.254 30.613 30.300 0.098 0.000 1.117 469 R HN 0.326 nan 8.270 nan 0.000 0.568 470 E N -0.851 119.394 120.200 0.075 0.000 2.413 470 E HA 0.069 4.421 4.350 0.004 0.000 0.203 470 E C 0.561 176.953 176.600 -0.347 0.000 0.957 470 E CA 0.755 57.058 56.400 -0.163 0.000 0.950 470 E CB 0.491 30.029 29.700 -0.269 0.000 0.957 470 E HN 0.320 nan 8.360 nan 0.000 0.497 471 Y N -0.145 120.260 120.300 0.175 0.000 2.652 471 Y HA 0.178 4.730 4.550 0.004 0.000 0.275 471 Y C 2.150 178.141 175.900 0.152 0.000 1.133 471 Y CA -0.056 58.153 58.100 0.182 0.000 1.246 471 Y CB -0.021 38.605 38.460 0.277 0.000 1.334 471 Y HN -0.057 nan 8.280 nan 0.000 0.493 472 I N -0.363 120.410 120.570 0.339 0.000 2.546 472 I HA 0.024 4.196 4.170 0.004 0.000 0.255 472 I C -0.924 175.274 176.117 0.136 0.000 1.163 472 I CA 0.442 61.865 61.300 0.205 0.000 1.457 472 I CB -1.395 36.758 38.000 0.254 0.000 1.092 472 I HN -0.084 nan 8.210 nan 0.000 0.434 473 P HA -0.193 nan 4.420 nan 0.000 0.215 473 P C 1.299 178.638 177.300 0.065 0.000 1.153 473 P CA 1.774 64.930 63.100 0.094 0.000 0.853 473 P CB -0.116 31.626 31.700 0.069 0.000 0.788 474 K N -0.375 120.049 120.400 0.039 0.000 2.026 474 K HA -0.090 4.232 4.320 0.004 0.000 0.208 474 K C 2.317 178.910 176.600 -0.011 0.000 1.048 474 K CA 1.311 57.607 56.287 0.015 0.000 0.929 474 K CB -0.577 31.928 32.500 0.008 0.000 0.713 474 K HN 0.175 nan 8.250 nan 0.000 0.439 475 I N 0.642 121.172 120.570 -0.068 0.000 2.353 475 I HA -0.207 3.965 4.170 0.004 0.000 0.248 475 I C 2.384 178.470 176.117 -0.052 0.000 1.119 475 I CA 0.789 61.989 61.300 -0.167 0.000 1.417 475 I CB -0.119 37.580 38.000 -0.502 0.000 1.078 475 I HN 0.152 nan 8.210 nan 0.000 0.421 476 M N -0.241 119.390 119.600 0.051 0.000 2.229 476 M HA -0.173 4.309 4.480 0.004 0.000 0.264 476 M C 2.136 178.526 176.300 0.149 0.000 1.063 476 M CA 1.683 57.066 55.300 0.138 0.000 1.114 476 M CB -0.725 32.001 32.600 0.209 0.000 1.387 476 M HN 0.342 nan 8.290 nan 0.000 0.420 477 E N -0.477 119.792 120.200 0.116 0.000 2.306 477 E HA -0.038 4.314 4.350 0.004 0.000 0.201 477 E C 0.660 177.323 176.600 0.105 0.000 0.874 477 E CA 0.170 56.648 56.400 0.130 0.000 0.972 477 E CB 0.686 30.449 29.700 0.106 0.000 0.957 477 E HN 0.198 nan 8.360 nan 0.000 0.492 478 E N 1.836 122.076 120.200 0.067 0.000 2.370 478 E HA 0.067 4.419 4.350 0.004 0.000 0.194 478 E C -0.159 176.471 176.600 0.051 0.000 1.057 478 E CA 0.101 56.535 56.400 0.057 0.000 1.011 478 E CB 0.758 30.480 29.700 0.037 0.000 1.132 478 E HN 0.259 nan 8.360 nan 0.000 0.450 479 T N -2.753 111.837 114.554 0.059 0.000 2.948 479 T HA 0.253 4.605 4.350 0.004 0.000 0.285 479 T C 0.319 175.088 174.700 0.115 0.000 1.019 479 T CA -0.761 61.374 62.100 0.057 0.000 1.013 479 T CB 1.974 70.842 68.868 0.001 0.000 1.117 479 T HN 0.092 nan 8.240 nan 0.000 0.533 480 H N 1.070 120.143 119.070 0.006 0.000 2.771 480 H HA -0.017 4.541 4.556 0.004 0.000 0.364 480 H C 1.160 176.516 175.328 0.047 0.000 1.133 480 H CA 0.122 56.169 56.048 -0.002 0.000 1.423 480 H CB 0.533 30.217 29.762 -0.131 0.000 1.425 480 H HN 0.926 nan 8.280 nan 0.000 0.606 481 W N 3.913 125.011 121.300 -0.335 0.000 2.364 481 W HA -0.170 4.493 4.660 0.005 0.000 0.281 481 W C 1.180 177.792 176.519 0.154 0.000 1.219 481 W CA 1.263 58.597 57.345 -0.018 0.000 1.220 481 W CB -1.191 28.202 29.460 -0.112 0.000 1.127 481 W HN 0.547 nan 8.180 nan 0.000 0.556 482 T N 0.362 114.620 114.554 -0.494 0.000 2.977 482 T HA -0.172 4.180 4.350 0.004 0.000 0.271 482 T C 1.936 176.619 174.700 -0.028 0.000 1.105 482 T CA 1.672 63.526 62.100 -0.410 0.000 1.116 482 T CB -1.058 67.492 68.868 -0.530 0.000 0.878 482 T HN 0.215 nan 8.240 nan 0.000 0.509 483 V N -2.517 117.401 119.914 0.006 0.000 2.594 483 V HA -0.036 4.087 4.120 0.004 0.000 0.253 483 V C 2.136 178.222 176.094 -0.013 0.000 1.069 483 V CA 0.754 63.038 62.300 -0.027 0.000 1.082 483 V CB -1.432 30.323 31.823 -0.113 0.000 0.680 483 V HN 0.626 nan 8.190 nan 0.000 0.469 484 W N 0.219 121.631 121.300 0.187 0.000 2.467 484 W HA 0.183 4.846 4.660 0.005 0.000 0.275 484 W C 2.253 178.918 176.519 0.244 0.000 1.239 484 W CA 0.793 58.264 57.345 0.210 0.000 1.266 484 W CB -0.261 29.319 29.460 0.200 0.000 1.112 484 W HN 0.218 nan 8.180 nan 0.000 0.576 485 I N -0.356 120.463 120.570 0.415 0.000 2.142 485 I HA -0.311 3.862 4.170 0.004 0.000 0.240 485 I C 2.313 178.659 176.117 0.381 0.000 1.078 485 I CA 1.595 63.108 61.300 0.356 0.000 1.343 485 I CB -1.098 37.039 38.000 0.228 0.000 1.046 485 I HN -0.160 nan 8.210 nan 0.000 0.405 486 T N 0.410 115.126 114.554 0.270 0.000 2.708 486 T HA -0.147 4.206 4.350 0.004 0.000 0.266 486 T C 2.043 176.928 174.700 0.308 0.000 1.037 486 T CA 1.277 63.536 62.100 0.265 0.000 1.146 486 T CB -0.252 68.725 68.868 0.182 0.000 0.865 486 T HN 0.265 nan 8.240 nan 0.000 0.435 487 R N 0.077 120.721 120.500 0.240 0.000 2.083 487 R HA -0.059 4.284 4.340 0.004 0.000 0.237 487 R C 2.211 178.680 176.300 0.281 0.000 1.137 487 R CA 1.619 57.815 56.100 0.160 0.000 0.951 487 R CB -0.660 29.608 30.300 -0.054 0.000 0.851 487 R HN 0.360 nan 8.270 nan 0.000 0.434 488 F N 0.546 120.661 119.950 0.274 0.000 2.065 488 F HA -0.335 4.194 4.527 0.004 0.000 0.298 488 F C 2.228 178.174 175.800 0.243 0.000 1.112 488 F CA 1.709 59.859 58.000 0.251 0.000 1.212 488 F CB -0.625 38.535 39.000 0.266 0.000 0.975 488 F HN 0.009 nan 8.300 nan 0.000 0.476 489 Y N 1.367 121.777 120.300 0.183 0.000 2.181 489 Y HA -0.217 4.336 4.550 0.004 0.000 0.288 489 Y C 2.290 178.246 175.900 0.094 0.000 1.146 489 Y CA 2.299 60.443 58.100 0.073 0.000 1.164 489 Y CB -0.676 37.893 38.460 0.182 0.000 0.982 489 Y HN 0.310 nan 8.280 nan 0.000 0.515 490 I N -2.307 118.392 120.570 0.216 0.000 2.439 490 I HA -0.149 4.024 4.170 0.004 0.000 0.251 490 I C 1.996 178.327 176.117 0.356 0.000 1.139 490 I CA 1.411 62.899 61.300 0.314 0.000 1.438 490 I CB -0.651 37.622 38.000 0.456 0.000 1.085 490 I HN 0.135 nan 8.210 nan 0.000 0.427 491 I N 2.389 123.016 120.570 0.095 0.000 2.226 491 I HA -0.155 4.017 4.170 0.004 0.000 0.245 491 I C 2.808 178.863 176.117 -0.103 0.000 1.100 491 I CA 1.612 62.864 61.300 -0.081 0.000 1.374 491 I CB -0.882 37.040 38.000 -0.129 0.000 1.057 491 I HN 0.383 nan 8.210 nan 0.000 0.413 492 G N 0.965 109.629 108.800 -0.226 0.000 2.440 492 G HA2 -0.206 3.756 3.960 0.004 0.000 0.218 492 G HA3 -0.206 3.756 3.960 0.004 0.000 0.218 492 G C 1.726 176.562 174.900 -0.107 0.000 1.154 492 G CA 0.503 45.444 45.100 -0.265 0.000 0.767 492 G HN 0.269 nan 8.290 nan 0.000 0.552 493 L N -0.974 120.206 121.223 -0.071 0.000 2.083 493 L HA 0.007 4.349 4.340 0.004 0.000 0.209 493 L C 2.545 179.579 176.870 0.274 0.000 1.083 493 L CA 0.868 55.788 54.840 0.134 0.000 0.752 493 L CB -0.332 41.820 42.059 0.156 0.000 0.899 493 L HN 0.265 nan 8.230 nan 0.000 0.433 494 F N 0.487 120.459 119.950 0.036 0.000 2.102 494 F HA -0.243 4.287 4.527 0.004 0.000 0.298 494 F C 2.227 177.893 175.800 -0.224 0.000 1.105 494 F CA 1.519 59.340 58.000 -0.299 0.000 1.239 494 F CB -0.016 38.497 39.000 -0.812 0.000 0.991 494 F HN -0.109 nan 8.300 nan 0.000 0.474 495 L N -1.029 120.243 121.223 0.082 0.000 2.046 495 L HA -0.211 4.132 4.340 0.004 0.000 0.208 495 L C 2.390 179.275 176.870 0.025 0.000 1.077 495 L CA 1.336 56.193 54.840 0.028 0.000 0.747 495 L CB -1.042 41.012 42.059 -0.009 0.000 0.896 495 L HN 0.235 nan 8.230 nan 0.000 0.432 496 F N 0.936 120.839 119.950 -0.079 0.000 2.126 496 F HA -0.207 4.322 4.527 0.004 0.000 0.299 496 F C 2.088 177.870 175.800 -0.029 0.000 1.096 496 F CA 1.531 59.515 58.000 -0.027 0.000 1.255 496 F CB -0.263 38.707 39.000 -0.050 0.000 0.997 496 F HN -0.125 nan 8.300 nan 0.000 0.479 497 L N -0.460 120.505 121.223 -0.430 0.000 2.109 497 L HA -0.161 4.181 4.340 0.004 0.000 0.207 497 L C 2.354 178.895 176.870 -0.549 0.000 1.086 497 L CA 1.543 55.993 54.840 -0.650 0.000 0.760 497 L CB -1.064 40.661 42.059 -0.557 0.000 0.910 497 L HN 0.113 nan 8.230 nan 0.000 0.437 498 T N -0.206 114.078 114.554 -0.450 0.000 2.759 498 T HA -0.232 4.120 4.350 0.004 0.000 0.269 498 T C 1.597 176.240 174.700 -0.095 0.000 1.042 498 T CA 1.476 63.401 62.100 -0.293 0.000 1.140 498 T CB -0.338 68.416 68.868 -0.190 0.000 0.864 498 T HN 0.206 nan 8.240 nan 0.000 0.455 499 F N 1.619 121.435 119.950 -0.223 0.000 2.186 499 F HA 0.091 4.620 4.527 0.004 0.000 0.299 499 F C 1.870 177.624 175.800 -0.076 0.000 1.090 499 F CA 0.764 58.685 58.000 -0.131 0.000 1.307 499 F CB -0.490 38.437 39.000 -0.122 0.000 1.019 499 F HN 0.057 nan 8.300 nan 0.000 0.489 500 L N -0.858 120.182 121.223 -0.305 0.000 2.141 500 L HA -0.193 4.150 4.340 0.004 0.000 0.209 500 L C 2.330 179.169 176.870 -0.052 0.000 1.094 500 L CA 0.866 55.539 54.840 -0.278 0.000 0.763 500 L CB -0.878 41.000 42.059 -0.301 0.000 0.908 500 L HN 0.010 nan 8.230 nan 0.000 0.437 501 V N -0.321 119.560 119.914 -0.054 0.000 2.358 501 V HA -0.310 3.812 4.120 0.004 0.000 0.246 501 V C 2.250 178.318 176.094 -0.044 0.000 1.047 501 V CA 1.845 64.167 62.300 0.038 0.000 1.035 501 V CB -0.621 31.150 31.823 -0.086 0.000 0.658 501 V HN 0.340 nan 8.190 nan 0.000 0.452 502 F N 0.453 120.282 119.950 -0.202 0.000 2.126 502 F HA -0.201 4.328 4.527 0.004 0.000 0.299 502 F C 2.020 177.661 175.800 -0.265 0.000 1.096 502 F CA 1.740 59.616 58.000 -0.207 0.000 1.255 502 F CB -0.141 38.759 39.000 -0.166 0.000 0.997 502 F HN 0.036 nan 8.300 nan 0.000 0.479 503 L N -0.312 120.762 121.223 -0.248 0.000 2.156 503 L HA -0.119 4.224 4.340 0.004 0.000 0.208 503 L C 2.776 179.473 176.870 -0.288 0.000 1.095 503 L CA 0.873 55.516 54.840 -0.328 0.000 0.770 503 L CB -1.138 40.690 42.059 -0.386 0.000 0.914 503 L HN 0.246 nan 8.230 nan 0.000 0.439 504 A N 0.975 123.653 122.820 -0.237 0.000 1.902 504 A HA -0.213 4.110 4.320 0.004 0.000 0.217 504 A C 2.216 179.656 177.584 -0.241 0.000 1.181 504 A CA 1.718 53.611 52.037 -0.239 0.000 0.623 504 A CB -0.415 18.442 19.000 -0.239 0.000 0.818 504 A HN 0.618 nan 8.150 nan 0.000 0.443 505 E N -1.122 118.912 120.200 -0.276 0.000 2.152 505 E HA -0.151 4.202 4.350 0.004 0.000 0.192 505 E C 1.931 178.361 176.600 -0.283 0.000 0.983 505 E CA 0.513 56.743 56.400 -0.283 0.000 0.818 505 E CB -0.279 29.227 29.700 -0.324 0.000 0.758 505 E HN 0.272 nan 8.360 nan 0.000 0.467 506 R N 1.115 121.394 120.500 -0.367 0.000 2.081 506 R HA -0.015 4.328 4.340 0.004 0.000 0.235 506 R C 2.294 178.491 176.300 -0.172 0.000 1.131 506 R CA 1.213 57.127 56.100 -0.309 0.000 0.960 506 R CB -0.746 29.315 30.300 -0.399 0.000 0.856 506 R HN 0.256 nan 8.270 nan 0.000 0.436 507 R N 0.534 120.934 120.500 -0.167 0.000 2.115 507 R HA -0.017 4.325 4.340 0.004 0.000 0.230 507 R C 2.269 178.532 176.300 -0.061 0.000 1.111 507 R CA 0.954 56.999 56.100 -0.092 0.000 0.976 507 R CB -0.054 30.175 30.300 -0.119 0.000 0.870 507 R HN 0.063 nan 8.270 nan 0.000 0.445 508 R N 0.324 120.764 120.500 -0.100 0.000 2.115 508 R HA -0.078 4.264 4.340 0.004 0.000 0.230 508 R C 1.289 177.554 176.300 -0.059 0.000 1.111 508 R CA 1.816 57.869 56.100 -0.079 0.000 0.976 508 R CB -0.101 30.142 30.300 -0.096 0.000 0.870 508 R HN 0.421 nan 8.270 nan 0.000 0.445 509 N N -0.976 117.688 118.700 -0.060 0.000 2.300 509 N HA -0.107 4.635 4.740 0.004 0.000 0.179 509 N C 0.926 176.435 175.510 -0.002 0.000 1.016 509 N CA 0.261 53.288 53.050 -0.038 0.000 0.876 509 N CB 0.003 38.458 38.487 -0.053 0.000 0.979 509 N HN 0.211 nan 8.380 nan 0.000 0.432 510 H N 0.000 119.022 119.070 -0.080 0.000 2.539 510 H HA 0.000 4.559 4.556 0.004 0.000 0.296 510 H CA 0.000 56.010 56.048 -0.064 0.000 1.023 510 H CB 0.000 29.722 29.762 -0.067 0.000 1.292 510 H HN 0.000 nan 8.280 nan 0.000 0.496