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 2ar0_1_B DATA FIRST_RESID 6 DATA SEQUENCE NDLVAKLWKL CDNLRDGGVS YQNYVNELAS LLFLKXCKET GQEAEYLPEG DATA SEQUENCE YRWDDLKSRI GQEQLQFYRK XLVHLGEDDK KLVQAVFHNV STTITEPKQI DATA SEQUENCE TALVSNXDSL DWXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXQYFTPR DATA SEQUENCE PLIKTIIHLL KPQPREVVQD PAAGTAGFLI EADRYVKSQT NDLDDLDGDT DATA SEQUENCE QDFQIHRAFI GLELVPGTRR LALXNCLLHD IEGNLDHGGA IRLGNTLGSD DATA SEQUENCE GENLPKAHIV ATNPPFGSAA GTNITRTFVH PTSNKQLCFX QHIIETLHPG DATA SEQUENCE GRAAVVVPDN VLFEGGKGTD IRRDLXDKCH LHTILRLPTG IFYAQGVKTN DATA SEQUENCE VLFFTKGTVA NPNQDKNCTD DVWVYDLRTN XPSFGKRTPF TDEHLQPFER DATA SEQUENCE VYGEDPHGLS PRTEGEWSFN AEETEVADSE ENKNTDQHLA TSRWRKFSRE DATA SEQUENCE WIRTAKSDSL DISWLKDKDX XXXXXXPEPD VLAAEAXGEL VQALSELDAL DATA SEQUENCE XRELGASDEA DLQRQLLEEA FG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 N HA 0.000 nan 4.740 nan 0.000 0.220 6 N C 0.000 175.552 175.510 0.070 0.000 1.280 6 N CA 0.000 53.090 53.050 0.067 0.000 0.885 6 N CB 0.000 38.516 38.487 0.048 0.000 1.341 7 D N 1.113 121.545 120.400 0.054 0.000 2.144 7 D HA -0.089 4.552 4.640 0.001 0.000 0.199 7 D C 1.795 178.133 176.300 0.063 0.000 0.984 7 D CA 0.965 54.995 54.000 0.051 0.000 0.834 7 D CB 0.090 40.914 40.800 0.040 0.000 0.955 7 D HN 0.215 nan 8.370 nan 0.000 0.465 8 L N 0.825 122.087 121.223 0.065 0.000 2.072 8 L HA -0.101 4.240 4.340 0.001 0.000 0.205 8 L C 2.334 179.256 176.870 0.087 0.000 1.079 8 L CA 1.055 55.936 54.840 0.069 0.000 0.752 8 L CB -0.272 41.823 42.059 0.059 0.000 0.906 8 L HN -0.178 nan 8.230 nan 0.000 0.436 9 V N -0.102 119.873 119.914 0.101 0.000 2.407 9 V HA -0.251 3.869 4.120 0.001 0.000 0.248 9 V C 2.703 178.936 176.094 0.231 0.000 1.055 9 V CA 1.521 63.906 62.300 0.142 0.000 1.049 9 V CB -1.300 30.614 31.823 0.152 0.000 0.662 9 V HN 0.558 nan 8.190 nan 0.000 0.455 10 A N -0.489 122.447 122.820 0.193 0.000 1.968 10 A HA -0.187 4.134 4.320 0.001 0.000 0.217 10 A C 2.326 180.009 177.584 0.165 0.000 1.169 10 A CA 1.799 53.949 52.037 0.190 0.000 0.638 10 A CB -0.369 18.677 19.000 0.077 0.000 0.812 10 A HN 0.502 nan 8.150 nan 0.000 0.446 11 K N -0.385 120.086 120.400 0.119 0.000 2.103 11 K HA 0.067 4.387 4.320 0.001 0.000 0.204 11 K C 1.728 178.388 176.600 0.100 0.000 1.052 11 K CA 0.845 57.186 56.287 0.089 0.000 0.945 11 K CB -0.207 32.333 32.500 0.066 0.000 0.722 11 K HN 0.480 nan 8.250 nan 0.000 0.443 12 L N -0.379 120.911 121.223 0.112 0.000 2.109 12 L HA -0.157 4.184 4.340 0.001 0.000 0.207 12 L C 2.332 179.259 176.870 0.095 0.000 1.086 12 L CA 0.552 55.438 54.840 0.077 0.000 0.760 12 L CB -0.424 41.665 42.059 0.050 0.000 0.910 12 L HN 0.434 nan 8.230 nan 0.000 0.437 13 W N 1.864 123.147 121.300 -0.028 0.000 2.355 13 W HA -0.197 4.464 4.660 0.001 0.000 0.309 13 W C 2.372 178.837 176.519 -0.091 0.000 1.206 13 W CA 1.486 58.800 57.345 -0.053 0.000 1.284 13 W CB -0.213 29.240 29.460 -0.012 0.000 1.145 13 W HN 0.108 nan 8.180 nan 0.000 0.502 14 K N -0.051 120.489 120.400 0.234 0.000 2.103 14 K HA -0.195 4.125 4.320 0.001 0.000 0.207 14 K C 2.042 178.668 176.600 0.043 0.000 1.048 14 K CA 1.605 57.953 56.287 0.101 0.000 0.930 14 K CB -0.722 31.810 32.500 0.053 0.000 0.716 14 K HN 0.232 nan 8.250 nan 0.000 0.444 15 L N 0.414 121.652 121.223 0.025 0.000 2.093 15 L HA -0.194 4.146 4.340 0.001 0.000 0.208 15 L C 2.429 179.237 176.870 -0.104 0.000 1.085 15 L CA 0.712 55.539 54.840 -0.020 0.000 0.755 15 L CB -0.542 41.514 42.059 -0.005 0.000 0.904 15 L HN 0.275 nan 8.230 nan 0.000 0.435 16 C N -0.015 119.166 119.300 -0.198 0.000 2.430 16 C HA -0.151 4.309 4.460 0.001 0.000 0.288 16 C C 2.334 177.049 174.990 -0.458 0.000 1.448 16 C CA 0.687 59.386 59.018 -0.532 0.000 1.784 16 C CB -1.041 26.134 27.740 -0.941 0.000 1.776 16 C HN 0.530 nan 8.230 nan 0.000 0.547 17 D N 0.996 121.288 120.400 -0.181 0.000 2.219 17 D HA -0.083 4.557 4.640 0.001 0.000 0.205 17 D C 1.986 178.236 176.300 -0.084 0.000 0.970 17 D CA 1.097 55.039 54.000 -0.097 0.000 0.851 17 D CB -0.276 40.511 40.800 -0.021 0.000 0.943 17 D HN 0.443 nan 8.370 nan 0.000 0.488 18 N N -0.157 118.494 118.700 -0.082 0.000 2.250 18 N HA -0.048 4.693 4.740 0.001 0.000 0.181 18 N C 2.046 177.532 175.510 -0.041 0.000 1.017 18 N CA 0.373 53.397 53.050 -0.044 0.000 0.866 18 N CB -0.066 38.404 38.487 -0.029 0.000 0.985 18 N HN 0.299 nan 8.380 nan 0.000 0.429 19 L N 0.984 122.153 121.223 -0.090 0.000 2.056 19 L HA -0.077 4.263 4.340 0.001 0.000 0.207 19 L C 2.718 179.611 176.870 0.038 0.000 1.078 19 L CA 0.890 55.715 54.840 -0.026 0.000 0.749 19 L CB -0.312 41.706 42.059 -0.070 0.000 0.901 19 L HN 0.131 nan 8.230 nan 0.000 0.433 20 R N 0.487 120.960 120.500 -0.044 0.000 2.080 20 R HA -0.173 4.167 4.340 0.001 0.000 0.236 20 R C 1.112 177.439 176.300 0.046 0.000 1.137 20 R CA 1.973 58.089 56.100 0.026 0.000 0.943 20 R CB -0.140 30.120 30.300 -0.067 0.000 0.846 20 R HN 0.324 nan 8.270 nan 0.000 0.431 21 D N -1.087 119.326 120.400 0.021 0.000 2.324 21 D HA 0.034 4.674 4.640 0.001 0.000 0.235 21 D C 0.861 177.183 176.300 0.035 0.000 1.095 21 D CA 0.635 54.655 54.000 0.033 0.000 0.871 21 D CB 0.859 41.673 40.800 0.023 0.000 0.906 21 D HN 0.540 nan 8.370 nan 0.000 0.522 22 G N -0.600 108.225 108.800 0.042 0.000 3.192 22 G HA2 0.351 4.311 3.960 0.001 0.000 0.239 22 G HA3 0.351 4.311 3.960 0.001 0.000 0.239 22 G C 1.183 176.120 174.900 0.062 0.000 1.084 22 G CA 0.192 45.321 45.100 0.048 0.000 0.784 22 G HN 0.342 nan 8.290 nan 0.000 0.540 23 G N -0.807 108.035 108.800 0.070 0.000 2.201 23 G HA2 -0.210 3.751 3.960 0.001 0.000 0.212 23 G HA3 -0.210 3.751 3.960 0.001 0.000 0.212 23 G C 0.247 175.197 174.900 0.084 0.000 0.994 23 G CA 0.017 45.161 45.100 0.072 0.000 0.644 23 G HN 0.664 nan 8.290 nan 0.000 0.508 24 V N 1.729 121.707 119.914 0.108 0.000 2.686 24 V HA 0.601 4.722 4.120 0.001 0.000 0.295 24 V C 1.245 177.401 176.094 0.104 0.000 1.055 24 V CA 0.521 62.897 62.300 0.127 0.000 1.050 24 V CB 1.533 33.472 31.823 0.194 0.000 0.984 24 V HN 0.581 nan 8.190 nan 0.000 0.482 25 S N 2.581 118.284 115.700 0.005 0.000 2.632 25 S HA 0.277 4.747 4.470 0.001 0.000 0.267 25 S C 0.680 174.953 174.600 -0.544 0.000 1.276 25 S CA -0.267 57.884 58.200 -0.081 0.000 0.998 25 S CB 0.403 63.584 63.200 -0.031 0.000 0.953 25 S HN 0.511 nan 8.310 nan 0.000 0.547 26 Y N 0.868 120.704 120.300 -0.773 0.000 2.497 26 Y HA 0.011 4.561 4.550 0.001 0.000 0.292 26 Y C 2.561 177.983 175.900 -0.796 0.000 1.137 26 Y CA 1.087 58.389 58.100 -1.329 0.000 1.285 26 Y CB -0.368 37.766 38.460 -0.543 0.000 0.991 26 Y HN 0.744 nan 8.280 nan 0.000 0.556 27 Q N 0.230 119.861 119.800 -0.283 0.000 2.245 27 Q HA -0.094 4.246 4.340 0.001 0.000 0.201 27 Q C 0.772 176.696 176.000 -0.127 0.000 0.955 27 Q CA 1.080 56.790 55.803 -0.155 0.000 0.870 27 Q CB 0.140 28.826 28.738 -0.087 0.000 0.945 27 Q HN 0.403 nan 8.270 nan 0.000 0.461 28 N N -0.470 118.149 118.700 -0.136 0.000 2.230 28 N HA -0.020 4.721 4.740 0.001 0.000 0.202 28 N C 0.589 176.151 175.510 0.087 0.000 1.119 28 N CA 0.045 53.084 53.050 -0.019 0.000 0.851 28 N CB 0.206 38.700 38.487 0.011 0.000 0.990 28 N HN 0.224 nan 8.380 nan 0.000 0.497 29 Y N 1.854 122.133 120.300 -0.034 0.000 2.014 29 Y HA -0.204 4.346 4.550 0.001 0.000 0.272 29 Y C 2.575 178.451 175.900 -0.040 0.000 1.164 29 Y CA 0.513 58.576 58.100 -0.061 0.000 1.114 29 Y CB -1.077 37.306 38.460 -0.128 0.000 0.961 29 Y HN -0.174 nan 8.280 nan 0.000 0.489 30 V N 0.857 120.851 119.914 0.133 0.000 2.282 30 V HA -0.375 3.746 4.120 0.001 0.000 0.249 30 V C 1.903 178.029 176.094 0.053 0.000 1.057 30 V CA 2.264 64.597 62.300 0.055 0.000 1.032 30 V CB -0.975 30.856 31.823 0.013 0.000 0.645 30 V HN 0.515 nan 8.190 nan 0.000 0.447 31 N N -0.245 118.485 118.700 0.050 0.000 2.069 31 N HA -0.204 4.536 4.740 0.001 0.000 0.191 31 N C 1.813 177.380 175.510 0.094 0.000 1.031 31 N CA 1.374 54.450 53.050 0.044 0.000 0.852 31 N CB -0.195 38.311 38.487 0.031 0.000 1.018 31 N HN 0.516 nan 8.380 nan 0.000 0.423 32 E N 1.290 121.567 120.200 0.129 0.000 2.051 32 E HA -0.117 4.233 4.350 0.001 0.000 0.192 32 E C 2.278 178.983 176.600 0.176 0.000 0.991 32 E CA 0.727 57.235 56.400 0.179 0.000 0.799 32 E CB -0.352 29.453 29.700 0.174 0.000 0.748 32 E HN 0.440 nan 8.360 nan 0.000 0.449 33 L N 0.560 121.856 121.223 0.122 0.000 2.027 33 L HA -0.135 4.205 4.340 0.001 0.000 0.206 33 L C 2.633 179.573 176.870 0.117 0.000 1.074 33 L CA 1.077 55.978 54.840 0.102 0.000 0.745 33 L CB -0.644 41.447 42.059 0.054 0.000 0.898 33 L HN 0.058 nan 8.230 nan 0.000 0.433 34 A N -0.134 122.741 122.820 0.092 0.000 1.892 34 A HA -0.244 4.076 4.320 0.001 0.000 0.218 34 A C 2.514 180.189 177.584 0.152 0.000 1.188 34 A CA 2.346 54.430 52.037 0.077 0.000 0.631 34 A CB -0.772 18.230 19.000 0.004 0.000 0.822 34 A HN 0.412 nan 8.150 nan 0.000 0.447 35 S N 0.089 115.911 115.700 0.204 0.000 2.365 35 S HA -0.181 4.290 4.470 0.001 0.000 0.221 35 S C 1.876 176.775 174.600 0.497 0.000 1.037 35 S CA 1.717 60.165 58.200 0.413 0.000 1.060 35 S CB -0.693 62.823 63.200 0.526 0.000 0.974 35 S HN 0.503 nan 8.310 nan 0.000 0.427 36 L N 1.125 122.590 121.223 0.404 0.000 2.012 36 L HA -0.142 4.198 4.340 0.001 0.000 0.210 36 L C 2.405 179.399 176.870 0.205 0.000 1.073 36 L CA 1.139 56.215 54.840 0.394 0.000 0.748 36 L CB -0.734 41.514 42.059 0.316 0.000 0.891 36 L HN 0.276 nan 8.230 nan 0.000 0.431 37 L N -1.325 119.978 121.223 0.133 0.000 2.079 37 L HA -0.255 4.086 4.340 0.001 0.000 0.210 37 L C 2.598 179.462 176.870 -0.011 0.000 1.081 37 L CA 1.271 56.114 54.840 0.006 0.000 0.752 37 L CB -0.532 41.552 42.059 0.042 0.000 0.896 37 L HN 0.185 nan 8.230 nan 0.000 0.433 38 F N 0.816 120.766 119.950 -0.001 0.000 2.102 38 F HA -0.227 4.301 4.527 0.001 0.000 0.298 38 F C 2.229 178.032 175.800 0.006 0.000 1.105 38 F CA 1.561 59.563 58.000 0.004 0.000 1.239 38 F CB -0.232 38.819 39.000 0.084 0.000 0.991 38 F HN -0.134 nan 8.300 nan 0.000 0.474 39 L N -0.095 121.219 121.223 0.151 0.000 2.042 39 L HA -0.191 4.150 4.340 0.001 0.000 0.210 39 L C 1.564 178.284 176.870 -0.250 0.000 1.076 39 L CA 1.076 55.978 54.840 0.104 0.000 0.749 39 L CB -0.967 41.391 42.059 0.498 0.000 0.893 39 L HN 0.053 nan 8.230 nan 0.000 0.432 43 K N 1.642 121.954 120.400 -0.147 0.000 2.001 43 K HA -0.111 4.209 4.320 0.001 0.000 0.208 43 K C 1.578 178.158 176.600 -0.033 0.000 1.048 43 K CA 1.573 57.840 56.287 -0.034 0.000 0.932 43 K CB -0.102 32.404 32.500 0.010 0.000 0.715 43 K HN 0.394 nan 8.250 nan 0.000 0.437 44 E N 0.338 120.505 120.200 -0.056 0.000 2.273 44 E HA -0.168 4.182 4.350 0.001 0.000 0.198 44 E C 1.864 178.491 176.600 0.045 0.000 1.002 44 E CA 1.114 57.557 56.400 0.072 0.000 0.828 44 E CB -0.375 29.479 29.700 0.256 0.000 0.747 44 E HN 0.345 nan 8.360 nan 0.000 0.491 45 T N -0.842 113.687 114.554 -0.042 0.000 2.867 45 T HA -0.018 4.332 4.350 0.001 0.000 0.268 45 T C 1.293 176.015 174.700 0.036 0.000 1.057 45 T CA 1.579 63.662 62.100 -0.028 0.000 1.136 45 T CB -0.184 68.653 68.868 -0.052 0.000 0.874 45 T HN 0.497 nan 8.240 nan 0.000 0.466 46 G N 0.723 109.548 108.800 0.041 0.000 2.141 46 G HA2 -0.225 3.736 3.960 0.001 0.000 0.242 46 G HA3 -0.225 3.736 3.960 0.001 0.000 0.242 46 G C 0.272 175.201 174.900 0.049 0.000 0.982 46 G CA 0.379 45.497 45.100 0.031 0.000 0.662 46 G HN 0.565 nan 8.290 nan 0.000 0.527 47 Q N -0.437 119.433 119.800 0.118 0.000 2.074 47 Q HA 0.252 4.592 4.340 0.001 0.000 0.265 47 Q C 1.467 177.567 176.000 0.167 0.000 0.855 47 Q CA 0.448 56.307 55.803 0.093 0.000 1.083 47 Q CB 0.368 29.134 28.738 0.045 0.000 1.260 47 Q HN 0.728 nan 8.270 nan 0.000 0.427 48 E N 0.141 120.473 120.200 0.220 0.000 2.333 48 E HA -0.230 4.120 4.350 0.001 0.000 0.200 48 E C 1.457 178.166 176.600 0.182 0.000 1.010 48 E CA 1.280 57.854 56.400 0.290 0.000 0.841 48 E CB -0.054 29.743 29.700 0.161 0.000 0.757 48 E HN 0.354 nan 8.360 nan 0.000 0.508 49 A N 1.400 124.263 122.820 0.072 0.000 2.070 49 A HA -0.182 4.138 4.320 0.001 0.000 0.220 49 A C 1.827 179.391 177.584 -0.034 0.000 1.159 49 A CA 1.346 53.397 52.037 0.023 0.000 0.656 49 A CB -0.263 18.736 19.000 -0.003 0.000 0.800 49 A HN 0.356 nan 8.150 nan 0.000 0.453 50 E N -1.976 118.127 120.200 -0.162 0.000 2.276 50 E HA -0.028 4.322 4.350 0.001 0.000 0.193 50 E C 1.296 177.716 176.600 -0.300 0.000 0.983 50 E CA 0.750 56.960 56.400 -0.317 0.000 0.861 50 E CB -0.062 29.303 29.700 -0.558 0.000 0.817 50 E HN 0.867 nan 8.360 nan 0.000 0.485 51 Y N 0.511 120.848 120.300 0.061 0.000 2.314 51 Y HA 0.177 4.727 4.550 0.001 0.000 0.294 51 Y C 1.175 177.159 175.900 0.139 0.000 1.139 51 Y CA -0.063 58.099 58.100 0.104 0.000 1.162 51 Y CB 0.228 38.739 38.460 0.086 0.000 1.121 51 Y HN -0.173 nan 8.280 nan 0.000 0.529 52 L N 2.854 124.263 121.223 0.309 0.000 2.334 52 L HA 0.397 4.738 4.340 0.001 0.000 0.275 52 L C -2.390 174.590 176.870 0.184 0.000 1.036 52 L CA -2.308 52.678 54.840 0.242 0.000 0.807 52 L CB 1.119 43.321 42.059 0.238 0.000 1.231 52 L HN -0.119 nan 8.230 nan 0.000 0.438 53 P HA 0.063 nan 4.420 nan 0.000 0.275 53 P C -0.782 176.628 177.300 0.183 0.000 1.228 53 P CA -0.460 62.745 63.100 0.175 0.000 0.786 53 P CB 0.975 32.795 31.700 0.200 0.000 0.927 54 E N 1.047 121.322 120.200 0.126 0.000 2.442 54 E HA 0.189 4.540 4.350 0.001 0.000 0.262 54 E C 1.154 177.783 176.600 0.048 0.000 1.004 54 E CA 0.901 57.346 56.400 0.076 0.000 0.928 54 E CB -0.495 29.229 29.700 0.039 0.000 0.937 54 E HN 0.786 nan 8.360 nan 0.000 0.446 55 G N 3.289 112.059 108.800 -0.050 0.000 2.253 55 G HA2 -0.302 3.659 3.960 0.001 0.000 0.251 55 G HA3 -0.302 3.659 3.960 0.001 0.000 0.251 55 G C -0.058 174.581 174.900 -0.434 0.000 0.998 55 G CA 0.444 45.384 45.100 -0.267 0.000 0.621 55 G HN 0.562 nan 8.290 nan 0.000 0.524 56 Y N 1.069 121.418 120.300 0.081 0.000 2.470 56 Y HA 0.624 5.174 4.550 0.001 0.000 0.352 56 Y C 0.861 176.850 175.900 0.148 0.000 0.967 56 Y CA -0.755 57.422 58.100 0.129 0.000 1.121 56 Y CB 0.651 39.077 38.460 -0.057 0.000 1.149 56 Y HN 0.204 nan 8.280 nan 0.000 0.641 57 R N -1.118 119.536 120.500 0.257 0.000 2.960 57 R HA 0.214 4.554 4.340 0.001 0.000 0.249 57 R C 0.746 177.218 176.300 0.286 0.000 1.192 57 R CA -0.882 55.370 56.100 0.253 0.000 1.035 57 R CB 1.201 31.614 30.300 0.188 0.000 1.234 57 R HN 0.518 nan 8.270 nan 0.000 0.493 58 W N 1.358 122.715 121.300 0.094 0.000 2.304 58 W HA -0.295 4.365 4.660 0.000 0.000 0.315 58 W C 0.437 176.982 176.519 0.045 0.000 1.233 58 W CA 2.067 59.458 57.345 0.076 0.000 1.261 58 W CB 0.030 29.519 29.460 0.049 0.000 1.150 58 W HN 0.611 nan 8.180 nan 0.000 0.494 59 D N 0.322 120.752 120.400 0.049 0.000 2.144 59 D HA -0.173 4.468 4.640 0.001 0.000 0.199 59 D C 1.599 177.772 176.300 -0.212 0.000 0.984 59 D CA 1.612 55.548 54.000 -0.107 0.000 0.834 59 D CB -0.666 40.135 40.800 0.001 0.000 0.955 59 D HN 0.161 nan 8.370 nan 0.000 0.465 60 D N -0.222 120.079 120.400 -0.164 0.000 2.218 60 D HA -0.114 4.527 4.640 0.001 0.000 0.204 60 D C 2.074 178.034 176.300 -0.567 0.000 0.976 60 D CA 0.394 54.187 54.000 -0.345 0.000 0.853 60 D CB 0.047 40.731 40.800 -0.193 0.000 0.939 60 D HN 0.236 nan 8.370 nan 0.000 0.481 61 L N 0.712 121.783 121.223 -0.255 0.000 2.200 61 L HA 0.059 4.400 4.340 0.001 0.000 0.200 61 L C 1.971 178.607 176.870 -0.391 0.000 1.072 61 L CA 1.288 56.025 54.840 -0.171 0.000 0.787 61 L CB -0.382 41.704 42.059 0.044 0.000 0.957 61 L HN -0.266 nan 8.230 nan 0.000 0.459 62 K N -0.248 119.768 120.400 -0.639 0.000 2.152 62 K HA -0.167 4.153 4.320 0.001 0.000 0.206 62 K C 1.991 178.366 176.600 -0.376 0.000 1.048 62 K CA 1.754 57.641 56.287 -0.667 0.000 0.933 62 K CB -0.185 31.722 32.500 -0.989 0.000 0.721 62 K HN 0.610 nan 8.250 nan 0.000 0.447 63 S N 0.042 115.544 115.700 -0.329 0.000 2.428 63 S HA -0.036 4.434 4.470 0.001 0.000 0.230 63 S C 1.225 175.697 174.600 -0.213 0.000 1.014 63 S CA -0.097 57.959 58.200 -0.240 0.000 0.957 63 S CB -0.111 62.951 63.200 -0.229 0.000 0.784 63 S HN 0.228 nan 8.310 nan 0.000 0.499 64 R N 0.445 120.794 120.500 -0.253 0.000 2.738 64 R HA 0.668 5.008 4.340 0.001 0.000 0.275 64 R C -0.337 175.889 176.300 -0.122 0.000 1.121 64 R CA 0.096 56.081 56.100 -0.193 0.000 1.207 64 R CB 0.371 30.524 30.300 -0.245 0.000 1.141 64 R HN 0.490 nan 8.270 nan 0.000 0.571 65 I N -0.066 120.463 120.570 -0.068 0.000 2.918 65 I HA 0.411 4.581 4.170 0.001 0.000 0.301 65 I C -0.022 176.090 176.117 -0.008 0.000 1.312 65 I CA 0.192 61.469 61.300 -0.038 0.000 1.007 65 I CB 1.850 39.837 38.000 -0.022 0.000 1.281 65 I HN 0.819 nan 8.210 nan 0.000 0.440 66 G N 4.691 113.491 108.800 -0.000 0.000 2.575 66 G HA2 -0.269 3.692 3.960 0.001 0.000 0.267 66 G HA3 -0.269 3.692 3.960 0.001 0.000 0.267 66 G C 0.473 175.392 174.900 0.031 0.000 1.264 66 G CA 0.459 45.568 45.100 0.015 0.000 0.935 66 G HN 0.657 nan 8.290 nan 0.000 0.568 67 Q N -0.180 119.641 119.800 0.035 0.000 2.181 67 Q HA -0.107 4.233 4.340 0.001 0.000 0.205 67 Q C 2.540 178.579 176.000 0.065 0.000 0.980 67 Q CA 2.094 57.927 55.803 0.049 0.000 0.862 67 Q CB -0.337 28.425 28.738 0.040 0.000 0.905 67 Q HN 0.798 nan 8.270 nan 0.000 0.429 68 E N 0.225 120.457 120.200 0.053 0.000 2.204 68 E HA -0.226 4.125 4.350 0.001 0.000 0.195 68 E C 1.905 178.563 176.600 0.096 0.000 0.990 68 E CA 0.985 57.423 56.400 0.063 0.000 0.821 68 E CB 0.158 29.877 29.700 0.031 0.000 0.750 68 E HN 0.359 nan 8.360 nan 0.000 0.477 69 Q N 0.149 119.995 119.800 0.078 0.000 2.123 69 Q HA -0.061 4.279 4.340 0.001 0.000 0.196 69 Q C 2.288 178.403 176.000 0.193 0.000 0.958 69 Q CA 0.442 56.307 55.803 0.104 0.000 0.841 69 Q CB 0.019 28.766 28.738 0.015 0.000 0.915 69 Q HN 0.339 nan 8.270 nan 0.000 0.455 70 L N 0.539 121.850 121.223 0.148 0.000 2.046 70 L HA -0.223 4.118 4.340 0.001 0.000 0.208 70 L C 2.248 179.239 176.870 0.202 0.000 1.077 70 L CA 1.479 56.430 54.840 0.185 0.000 0.747 70 L CB -0.062 42.072 42.059 0.126 0.000 0.896 70 L HN 0.382 nan 8.230 nan 0.000 0.432 71 Q N -1.303 118.594 119.800 0.162 0.000 2.167 71 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 71 Q C 1.961 178.056 176.000 0.159 0.000 0.970 71 Q CA 1.713 57.596 55.803 0.132 0.000 0.855 71 Q CB -0.138 28.665 28.738 0.110 0.000 0.911 71 Q HN 0.495 nan 8.270 nan 0.000 0.438 72 F N -0.123 119.884 119.950 0.094 0.000 2.186 72 F HA -0.242 4.285 4.527 0.001 0.000 0.299 72 F C 2.041 177.944 175.800 0.172 0.000 1.090 72 F CA 1.046 59.108 58.000 0.103 0.000 1.307 72 F CB -0.225 38.809 39.000 0.057 0.000 1.019 72 F HN 0.062 nan 8.300 nan 0.000 0.489 73 Y N 1.634 121.959 120.300 0.042 0.000 2.165 73 Y HA -0.184 4.367 4.550 0.001 0.000 0.286 73 Y C 2.508 178.350 175.900 -0.096 0.000 1.155 73 Y CA 1.890 59.973 58.100 -0.028 0.000 1.164 73 Y CB -0.722 37.785 38.460 0.078 0.000 0.978 73 Y HN 0.016 nan 8.280 nan 0.000 0.513 74 R N 0.635 121.075 120.500 -0.099 0.000 2.081 74 R HA -0.120 4.220 4.340 0.001 0.000 0.235 74 R C 1.507 177.694 176.300 -0.188 0.000 1.131 74 R CA 1.222 57.215 56.100 -0.179 0.000 0.960 74 R CB -0.328 29.936 30.300 -0.060 0.000 0.856 74 R HN 0.199 nan 8.270 nan 0.000 0.436 78 V N -0.012 119.787 119.914 -0.193 0.000 2.379 78 V HA -0.222 3.898 4.120 0.001 0.000 0.245 78 V C 2.140 178.135 176.094 -0.166 0.000 1.044 78 V CA 2.453 64.666 62.300 -0.146 0.000 1.036 78 V CB -0.467 31.284 31.823 -0.120 0.000 0.664 78 V HN 0.454 nan 8.190 nan 0.000 0.453 79 H N -0.283 118.588 119.070 -0.331 0.000 2.387 79 H HA -0.061 4.495 4.556 0.001 0.000 0.299 79 H C 2.079 177.204 175.328 -0.339 0.000 1.090 79 H CA 1.620 57.416 56.048 -0.420 0.000 1.332 79 H CB 0.029 29.266 29.762 -0.874 0.000 1.386 79 H HN 0.304 nan 8.280 nan 0.000 0.516 80 L N -1.215 119.894 121.223 -0.190 0.000 2.131 80 L HA 0.020 4.360 4.340 0.001 0.000 0.206 80 L C 2.455 179.327 176.870 0.003 0.000 1.087 80 L CA 0.871 55.633 54.840 -0.130 0.000 0.767 80 L CB -0.199 41.630 42.059 -0.384 0.000 0.917 80 L HN 0.368 nan 8.230 nan 0.000 0.441 81 G N -0.380 108.425 108.800 0.008 0.000 3.061 81 G HA2 -0.002 3.958 3.960 0.001 0.000 0.208 81 G HA3 -0.002 3.958 3.960 0.001 0.000 0.208 81 G C 0.264 175.183 174.900 0.031 0.000 1.175 81 G CA -0.002 45.147 45.100 0.082 0.000 0.812 81 G HN 0.335 nan 8.290 nan 0.000 0.523 82 E N 0.882 121.052 120.200 -0.050 0.000 2.528 82 E HA 0.360 4.710 4.350 0.001 0.000 0.277 82 E C -1.688 174.840 176.600 -0.121 0.000 0.980 82 E CA -0.586 55.770 56.400 -0.074 0.000 0.796 82 E CB 1.375 31.006 29.700 -0.115 0.000 1.427 82 E HN 0.496 nan 8.360 nan 0.000 0.394 83 D N -0.263 120.101 120.400 -0.060 0.000 2.807 83 D HA -0.033 4.608 4.640 0.001 0.000 0.279 83 D C 0.002 176.291 176.300 -0.018 0.000 1.247 83 D CA -0.657 53.309 54.000 -0.056 0.000 0.749 83 D CB 0.262 41.027 40.800 -0.059 0.000 1.264 83 D HN 0.118 nan 8.370 nan 0.000 0.421 84 D N -0.956 119.437 120.400 -0.011 0.000 2.269 84 D HA -0.038 4.602 4.640 0.001 0.000 0.208 84 D C 0.472 176.778 176.300 0.011 0.000 0.963 84 D CA 0.820 54.819 54.000 -0.002 0.000 0.864 84 D CB 0.132 40.931 40.800 -0.001 0.000 0.936 84 D HN 0.246 nan 8.370 nan 0.000 0.505 85 K N 0.927 121.343 120.400 0.025 0.000 3.277 85 K HA 0.024 4.344 4.320 0.001 0.000 0.291 85 K C 1.205 177.836 176.600 0.051 0.000 0.994 85 K CA 0.009 56.323 56.287 0.045 0.000 1.147 85 K CB 0.033 32.574 32.500 0.069 0.000 1.185 85 K HN -0.016 nan 8.250 nan 0.000 0.422 86 K N 0.327 120.743 120.400 0.027 0.000 2.397 86 K HA -0.238 4.082 4.320 0.001 0.000 0.202 86 K C 1.452 178.067 176.600 0.026 0.000 1.043 86 K CA 1.058 57.353 56.287 0.014 0.000 0.934 86 K CB -0.424 32.069 32.500 -0.012 0.000 0.743 86 K HN 0.401 nan 8.250 nan 0.000 0.485 87 L N 0.203 121.455 121.223 0.049 0.000 1.955 87 L HA -0.228 4.112 4.340 0.001 0.000 0.213 87 L C 2.211 179.130 176.870 0.082 0.000 1.072 87 L CA 1.481 56.360 54.840 0.064 0.000 0.755 87 L CB -0.293 41.825 42.059 0.099 0.000 0.888 87 L HN -0.055 nan 8.230 nan 0.000 0.432 88 V N -0.324 119.678 119.914 0.147 0.000 2.453 88 V HA -0.276 3.844 4.120 0.001 0.000 0.247 88 V C 2.330 178.534 176.094 0.182 0.000 1.048 88 V CA 1.723 64.149 62.300 0.210 0.000 1.049 88 V CB -0.751 31.270 31.823 0.329 0.000 0.672 88 V HN 0.614 nan 8.190 nan 0.000 0.457 89 Q N 2.203 122.088 119.800 0.141 0.000 2.152 89 Q HA -0.215 4.126 4.340 0.001 0.000 0.206 89 Q C 1.920 177.967 176.000 0.078 0.000 0.985 89 Q CA 2.666 58.544 55.803 0.125 0.000 0.863 89 Q CB -0.673 28.105 28.738 0.067 0.000 0.904 89 Q HN 0.525 nan 8.270 nan 0.000 0.422 90 A N -0.109 122.711 122.820 0.000 0.000 2.121 90 A HA 0.000 4.321 4.320 0.001 0.000 0.218 90 A C 2.010 179.524 177.584 -0.117 0.000 1.154 90 A CA 1.295 53.294 52.037 -0.063 0.000 0.679 90 A CB -0.202 18.750 19.000 -0.081 0.000 0.795 90 A HN 0.304 nan 8.150 nan 0.000 0.458 91 V N -2.567 117.227 119.914 -0.200 0.000 3.471 91 V HA 0.098 4.218 4.120 0.001 0.000 0.258 91 V C 0.976 176.643 176.094 -0.711 0.000 1.192 91 V CA 0.874 62.863 62.300 -0.517 0.000 1.116 91 V CB -0.518 30.796 31.823 -0.849 0.000 0.792 91 V HN 0.570 nan 8.190 nan 0.000 0.459 92 F N -1.346 118.568 119.950 -0.060 0.000 2.735 92 F HA 0.349 4.876 4.527 0.001 0.000 0.308 92 F C 0.919 176.711 175.800 -0.012 0.000 1.112 92 F CA -0.515 57.461 58.000 -0.040 0.000 1.235 92 F CB 0.189 39.168 39.000 -0.035 0.000 1.027 92 F HN 0.122 nan 8.300 nan 0.000 0.528 93 H N 1.936 121.017 119.070 0.019 0.000 2.848 93 H HA 0.074 4.631 4.556 0.001 0.000 0.317 93 H C 0.480 175.797 175.328 -0.018 0.000 1.046 93 H CA 0.704 56.751 56.048 -0.003 0.000 1.470 93 H CB 0.175 29.921 29.762 -0.027 0.000 1.483 93 H HN 0.458 nan 8.280 nan 0.000 0.548 94 N N 2.662 121.079 118.700 -0.472 0.000 2.741 94 N HA -0.201 4.540 4.740 0.001 0.000 0.251 94 N C -0.900 174.517 175.510 -0.155 0.000 1.112 94 N CA 0.322 53.154 53.050 -0.364 0.000 0.750 94 N CB -0.501 37.723 38.487 -0.439 0.000 1.119 94 N HN 0.175 nan 8.380 nan 0.000 0.561 95 V N 1.025 120.892 119.914 -0.079 0.000 2.481 95 V HA 0.619 4.739 4.120 0.001 0.000 0.286 95 V C 0.389 176.465 176.094 -0.030 0.000 1.042 95 V CA -0.187 62.102 62.300 -0.019 0.000 0.928 95 V CB 1.712 33.574 31.823 0.065 0.000 0.986 95 V HN 0.307 nan 8.190 nan 0.000 0.462 96 S N 1.779 117.458 115.700 -0.034 0.000 2.537 96 S HA 0.527 4.997 4.470 0.001 0.000 0.270 96 S C -0.642 173.941 174.600 -0.028 0.000 1.142 96 S CA -0.696 57.466 58.200 -0.063 0.000 0.870 96 S CB 1.767 64.931 63.200 -0.061 0.000 1.112 96 S HN 0.712 nan 8.310 nan 0.000 0.466 97 T N 0.831 115.356 114.554 -0.048 0.000 2.913 97 T HA 0.523 4.873 4.350 0.001 0.000 0.287 97 T C 1.016 175.759 174.700 0.072 0.000 1.008 97 T CA 0.259 62.400 62.100 0.068 0.000 1.067 97 T CB 0.608 69.594 68.868 0.197 0.000 0.996 97 T HN 1.043 nan 8.240 nan 0.000 0.513 98 T N 2.232 116.846 114.554 0.099 0.000 3.215 98 T HA 0.398 4.749 4.350 0.001 0.000 0.271 98 T C 0.538 175.294 174.700 0.093 0.000 1.012 98 T CA -0.406 61.740 62.100 0.077 0.000 0.899 98 T CB -0.611 68.296 68.868 0.063 0.000 1.089 98 T HN 0.526 nan 8.240 nan 0.000 0.552 99 I N 2.374 123.017 120.570 0.122 0.000 2.395 99 I HA 0.250 4.420 4.170 0.001 0.000 0.289 99 I C 1.117 177.291 176.117 0.094 0.000 1.023 99 I CA -0.382 60.987 61.300 0.115 0.000 1.350 99 I CB 1.585 39.670 38.000 0.142 0.000 1.409 99 I HN 0.266 nan 8.210 nan 0.000 0.507 100 T N 1.498 116.096 114.554 0.074 0.000 2.989 100 T HA 0.125 4.476 4.350 0.001 0.000 0.250 100 T C 0.506 175.238 174.700 0.053 0.000 0.981 100 T CA -0.231 61.905 62.100 0.061 0.000 0.980 100 T CB 0.109 69.007 68.868 0.050 0.000 1.133 100 T HN 0.459 nan 8.240 nan 0.000 0.489 101 E N 3.495 123.725 120.200 0.050 0.000 2.070 101 E HA 0.122 4.473 4.350 0.001 0.000 0.282 101 E C -1.579 175.045 176.600 0.039 0.000 1.104 101 E CA -2.064 54.361 56.400 0.040 0.000 0.876 101 E CB 1.165 30.886 29.700 0.036 0.000 1.055 101 E HN 0.219 nan 8.360 nan 0.000 0.401 102 P HA -0.210 nan 4.420 nan 0.000 0.219 102 P C 0.653 177.965 177.300 0.021 0.000 1.146 102 P CA 1.268 64.389 63.100 0.034 0.000 0.808 102 P CB 0.325 32.045 31.700 0.033 0.000 0.779 103 K N -0.701 119.710 120.400 0.018 0.000 2.217 103 K HA -0.070 4.251 4.320 0.001 0.000 0.202 103 K C 2.354 178.959 176.600 0.008 0.000 1.051 103 K CA 0.789 57.083 56.287 0.011 0.000 0.952 103 K CB -0.123 32.384 32.500 0.012 0.000 0.736 103 K HN 0.102 nan 8.250 nan 0.000 0.453 104 Q N 0.780 120.587 119.800 0.013 0.000 2.123 104 Q HA -0.054 4.287 4.340 0.001 0.000 0.199 104 Q C 2.097 178.097 176.000 0.000 0.000 0.966 104 Q CA 0.968 56.777 55.803 0.010 0.000 0.845 104 Q CB -0.128 28.622 28.738 0.020 0.000 0.907 104 Q HN 0.393 nan 8.270 nan 0.000 0.439 105 I N 0.454 121.023 120.570 -0.001 0.000 2.252 105 I HA -0.241 3.929 4.170 0.001 0.000 0.245 105 I C 1.562 177.649 176.117 -0.050 0.000 1.102 105 I CA 1.202 62.483 61.300 -0.031 0.000 1.385 105 I CB -0.007 37.975 38.000 -0.030 0.000 1.064 105 I HN 0.125 nan 8.210 nan 0.000 0.414 106 T N 1.281 115.814 114.554 -0.036 0.000 2.759 106 T HA -0.156 4.195 4.350 0.001 0.000 0.269 106 T C 1.855 176.535 174.700 -0.033 0.000 1.042 106 T CA 1.441 63.515 62.100 -0.043 0.000 1.140 106 T CB -0.389 68.463 68.868 -0.027 0.000 0.864 106 T HN 0.562 nan 8.240 nan 0.000 0.455 107 A N 0.431 123.241 122.820 -0.017 0.000 2.014 107 A HA 0.188 4.509 4.320 0.001 0.000 0.218 107 A C 2.234 179.816 177.584 -0.003 0.000 1.163 107 A CA 0.728 52.761 52.037 -0.007 0.000 0.652 107 A CB -0.536 18.463 19.000 -0.002 0.000 0.808 107 A HN 0.469 nan 8.150 nan 0.000 0.449 108 L N -0.645 120.573 121.223 -0.008 0.000 2.071 108 L HA -0.075 4.265 4.340 0.001 0.000 0.201 108 L C 2.464 179.353 176.870 0.032 0.000 1.076 108 L CA 1.016 55.859 54.840 0.006 0.000 0.755 108 L CB -0.264 41.791 42.059 -0.005 0.000 0.915 108 L HN 0.230 nan 8.230 nan 0.000 0.445 109 V N 0.245 120.157 119.914 -0.004 0.000 2.324 109 V HA -0.320 3.801 4.120 0.001 0.000 0.250 109 V C 2.726 178.857 176.094 0.062 0.000 1.060 109 V CA 2.166 64.473 62.300 0.012 0.000 1.042 109 V CB -0.800 30.914 31.823 -0.182 0.000 0.650 109 V HN 0.678 nan 8.190 nan 0.000 0.450 110 S N -0.971 114.734 115.700 0.008 0.000 2.406 110 S HA -0.077 4.393 4.470 0.001 0.000 0.228 110 S C 1.221 175.857 174.600 0.059 0.000 1.020 110 S CA 0.398 58.614 58.200 0.027 0.000 0.965 110 S CB -0.515 62.681 63.200 -0.005 0.000 0.798 110 S HN 0.614 nan 8.310 nan 0.000 0.488 114 S N 1.415 117.162 115.700 0.078 0.000 2.618 114 S HA 0.364 4.834 4.470 0.001 0.000 0.242 114 S C 0.806 175.402 174.600 -0.008 0.000 0.972 114 S CA -0.651 57.561 58.200 0.019 0.000 1.004 114 S CB -0.487 62.722 63.200 0.015 0.000 0.778 114 S HN 0.462 nan 8.310 nan 0.000 0.459 115 L N 0.431 121.653 121.223 -0.001 0.000 2.431 115 L HA 0.665 5.005 4.340 0.001 0.000 0.260 115 L C -0.282 176.550 176.870 -0.064 0.000 1.098 115 L CA -0.896 53.938 54.840 -0.010 0.000 0.800 115 L CB 0.777 42.851 42.059 0.025 0.000 1.210 115 L HN 0.174 nan 8.230 nan 0.000 0.465 116 D N -0.013 120.358 120.400 -0.048 0.000 2.440 116 D HA 0.211 4.852 4.640 0.001 0.000 0.258 116 D C -0.181 176.164 176.300 0.076 0.000 1.092 116 D CA -0.606 53.332 54.000 -0.104 0.000 1.016 116 D CB 0.521 41.278 40.800 -0.072 0.000 1.141 116 D HN 0.751 nan 8.370 nan 0.000 0.552 151 Y N 1.507 121.815 120.300 0.013 0.000 2.790 151 Y HA 0.251 4.801 4.550 0.000 0.000 0.348 151 Y C -0.307 175.616 175.900 0.039 0.000 1.183 151 Y CA -0.300 57.792 58.100 -0.014 0.000 2.002 151 Y CB -0.072 38.371 38.460 -0.028 0.000 2.086 151 Y HN 0.322 nan 8.280 nan 0.000 0.412 152 F N 0.886 120.859 119.950 0.039 0.000 2.547 152 F HA 0.573 5.102 4.527 0.002 0.000 0.316 152 F C -0.903 174.880 175.800 -0.028 0.000 1.121 152 F CA -0.742 57.186 58.000 -0.119 0.000 0.911 152 F CB 1.630 40.380 39.000 -0.416 0.000 1.179 152 F HN -0.195 nan 8.300 nan 0.000 0.443 153 T N 6.535 120.419 114.554 -1.115 0.000 2.928 153 T HA 0.362 4.712 4.350 0.001 0.000 0.296 153 T C -2.891 171.051 174.700 -1.263 0.000 1.000 153 T CA -1.380 60.146 62.100 -0.957 0.000 0.989 153 T CB 1.810 70.475 68.868 -0.337 0.000 1.005 153 T HN 0.307 nan 8.240 nan 0.000 0.442 154 P HA 0.034 nan 4.420 nan 0.000 0.256 154 P C 1.120 178.197 177.300 -0.370 0.000 1.173 154 P CA -0.077 62.661 63.100 -0.604 0.000 0.768 154 P CB 0.464 31.955 31.700 -0.348 0.000 0.758 155 R N 7.413 127.757 120.500 -0.261 0.000 2.112 155 R HA -0.172 4.169 4.340 0.001 0.000 0.242 155 R C -0.739 175.458 176.300 -0.171 0.000 1.137 155 R CA 2.420 58.397 56.100 -0.205 0.000 0.944 155 R CB -2.024 28.212 30.300 -0.107 0.000 0.857 155 R HN 0.437 nan 8.270 nan 0.000 0.435 156 P HA -0.156 nan 4.420 nan 0.000 0.221 156 P C 1.522 178.772 177.300 -0.084 0.000 1.145 156 P CA 0.939 63.961 63.100 -0.129 0.000 0.795 156 P CB -0.118 31.456 31.700 -0.211 0.000 0.775 157 L N -0.601 120.590 121.223 -0.053 0.000 2.095 157 L HA 0.009 4.350 4.340 0.001 0.000 0.204 157 L C 2.593 179.432 176.870 -0.052 0.000 1.080 157 L CA 1.315 56.160 54.840 0.009 0.000 0.759 157 L CB -1.002 41.051 42.059 -0.010 0.000 0.914 157 L HN -0.213 nan 8.230 nan 0.000 0.439 158 I N -0.339 120.088 120.570 -0.238 0.000 2.142 158 I HA -0.335 3.835 4.170 0.001 0.000 0.240 158 I C 2.554 178.548 176.117 -0.204 0.000 1.078 158 I CA 1.627 62.666 61.300 -0.435 0.000 1.343 158 I CB -0.519 37.056 38.000 -0.709 0.000 1.046 158 I HN 0.320 nan 8.210 nan 0.000 0.405 159 K N 0.786 121.090 120.400 -0.160 0.000 2.034 159 K HA -0.240 4.080 4.320 0.001 0.000 0.214 159 K C 2.053 178.647 176.600 -0.009 0.000 1.051 159 K CA 2.451 58.690 56.287 -0.081 0.000 0.931 159 K CB -0.214 32.232 32.500 -0.091 0.000 0.715 159 K HN 0.264 nan 8.250 nan 0.000 0.446 160 T N 1.691 116.247 114.554 0.002 0.000 2.746 160 T HA -0.116 4.235 4.350 0.001 0.000 0.267 160 T C 1.921 176.691 174.700 0.117 0.000 1.039 160 T CA 1.549 63.690 62.100 0.068 0.000 1.142 160 T CB -0.147 68.774 68.868 0.088 0.000 0.866 160 T HN 0.218 nan 8.240 nan 0.000 0.444 161 I N 0.279 120.940 120.570 0.151 0.000 2.179 161 I HA -0.151 4.020 4.170 0.001 0.000 0.242 161 I C 2.110 178.299 176.117 0.120 0.000 1.088 161 I CA 1.176 62.610 61.300 0.225 0.000 1.357 161 I CB -0.298 37.899 38.000 0.328 0.000 1.051 161 I HN 0.166 nan 8.210 nan 0.000 0.409 162 I N 0.128 120.738 120.570 0.067 0.000 2.394 162 I HA -0.291 3.880 4.170 0.001 0.000 0.251 162 I C 2.502 178.475 176.117 -0.240 0.000 1.136 162 I CA 1.538 62.807 61.300 -0.051 0.000 1.425 162 I CB -0.820 37.157 38.000 -0.037 0.000 1.079 162 I HN 0.236 nan 8.210 nan 0.000 0.425 163 H N 0.299 119.237 119.070 -0.220 0.000 2.387 163 H HA -0.044 4.513 4.556 0.001 0.000 0.299 163 H C 1.966 177.144 175.328 -0.251 0.000 1.090 163 H CA 1.687 57.590 56.048 -0.241 0.000 1.332 163 H CB -0.045 29.662 29.762 -0.092 0.000 1.386 163 H HN 0.267 nan 8.280 nan 0.000 0.516 164 L N -0.448 120.595 121.223 -0.299 0.000 2.341 164 L HA 0.006 4.347 4.340 0.001 0.000 0.214 164 L C 1.931 178.662 176.870 -0.232 0.000 1.115 164 L CA 0.286 54.883 54.840 -0.407 0.000 0.820 164 L CB 0.006 41.684 42.059 -0.634 0.000 0.944 164 L HN 0.286 nan 8.230 nan 0.000 0.452 165 L N -0.570 120.551 121.223 -0.171 0.000 2.307 165 L HA 0.003 4.344 4.340 0.001 0.000 0.211 165 L C 0.546 177.301 176.870 -0.192 0.000 1.099 165 L CA 0.176 54.948 54.840 -0.115 0.000 0.816 165 L CB -0.079 41.945 42.059 -0.058 0.000 0.952 165 L HN 0.138 nan 8.230 nan 0.000 0.455 166 K N 0.324 120.502 120.400 -0.370 0.000 3.689 166 K HA -0.148 4.173 4.320 0.001 0.000 0.276 166 K C -2.284 174.232 176.600 -0.140 0.000 0.932 166 K CA -0.218 55.828 56.287 -0.400 0.000 0.758 166 K CB -1.449 30.957 32.500 -0.157 0.000 1.500 166 K HN 0.230 nan 8.250 nan 0.000 0.448 167 P HA -0.040 nan 4.420 nan 0.000 0.267 167 P C -0.267 177.146 177.300 0.188 0.000 1.205 167 P CA 0.368 63.513 63.100 0.075 0.000 0.765 167 P CB 0.845 32.627 31.700 0.135 0.000 0.828 168 Q N 3.578 123.453 119.800 0.124 0.000 2.204 168 Q HA 0.459 4.800 4.340 0.001 0.000 0.254 168 Q C -2.090 173.967 176.000 0.094 0.000 0.981 168 Q CA -2.167 53.704 55.803 0.113 0.000 0.897 168 Q CB 0.609 29.380 28.738 0.054 0.000 1.273 168 Q HN 0.404 nan 8.270 nan 0.000 0.464 169 P HA 0.090 nan 4.420 nan 0.000 0.270 169 P C 0.044 177.353 177.300 0.014 0.000 1.223 169 P CA 0.077 63.229 63.100 0.086 0.000 0.785 169 P CB 0.729 32.478 31.700 0.081 0.000 0.923 170 R N -1.930 118.598 120.500 0.047 0.000 3.840 170 R HA -0.125 4.215 4.340 0.001 0.000 0.464 170 R C -0.277 175.974 176.300 -0.081 0.000 0.986 170 R CA 1.075 57.025 56.100 -0.251 0.000 1.305 170 R CB -1.683 28.400 30.300 -0.362 0.000 1.950 170 R HN 0.680 nan 8.270 nan 0.000 0.526 171 E N 0.979 121.220 120.200 0.069 0.000 2.197 171 E HA 0.341 4.692 4.350 0.001 0.000 0.281 171 E C -0.267 176.501 176.600 0.280 0.000 0.995 171 E CA -0.520 55.950 56.400 0.116 0.000 0.808 171 E CB 1.932 31.657 29.700 0.040 0.000 1.093 171 E HN -0.143 nan 8.360 nan 0.000 0.394 172 V N 4.211 124.437 119.914 0.520 0.000 2.408 172 V HA 0.074 4.194 4.120 0.001 0.000 0.267 172 V C -0.018 176.127 176.094 0.086 0.000 1.047 172 V CA -0.419 61.994 62.300 0.187 0.000 0.937 172 V CB 1.022 32.949 31.823 0.174 0.000 0.999 172 V HN 0.396 nan 8.190 nan 0.000 0.472 173 V N 6.044 125.945 119.914 -0.022 0.000 2.350 173 V HA 0.388 4.509 4.120 0.001 0.000 0.276 173 V C 0.081 176.229 176.094 0.089 0.000 1.028 173 V CA -0.397 61.951 62.300 0.081 0.000 0.860 173 V CB 1.283 33.239 31.823 0.221 0.000 0.990 173 V HN 0.930 nan 8.190 nan 0.000 0.453 174 Q N 3.045 122.879 119.800 0.056 0.000 2.257 174 Q HA 0.445 4.785 4.340 0.001 0.000 0.262 174 Q C -1.471 174.548 176.000 0.031 0.000 0.997 174 Q CA -0.656 55.175 55.803 0.045 0.000 0.873 174 Q CB 2.064 30.821 28.738 0.031 0.000 1.312 174 Q HN 0.740 nan 8.270 nan 0.000 0.450 175 D N 3.409 123.822 120.400 0.023 0.000 2.358 175 D HA 0.275 4.915 4.640 0.001 0.000 0.253 175 D C -2.207 174.086 176.300 -0.012 0.000 1.288 175 D CA -1.828 52.159 54.000 -0.022 0.000 0.950 175 D CB 1.878 42.663 40.800 -0.025 0.000 1.197 175 D HN 0.304 nan 8.370 nan 0.000 0.550 176 P HA -0.012 nan 4.420 nan 0.000 0.219 176 P C 0.154 177.513 177.300 0.098 0.000 1.146 176 P CA 0.790 63.919 63.100 0.047 0.000 0.808 176 P CB 0.425 32.209 31.700 0.140 0.000 0.779 177 A N -1.399 121.420 122.820 -0.001 0.000 3.201 177 A HA 0.642 4.963 4.320 0.001 0.000 0.312 177 A C 1.542 178.986 177.584 -0.234 0.000 1.011 177 A CA 0.151 52.127 52.037 -0.102 0.000 0.987 177 A CB -0.496 18.371 19.000 -0.221 0.000 1.060 177 A HN 0.052 nan 8.150 nan 0.000 0.505 178 A N 0.467 123.183 122.820 -0.174 0.000 1.929 178 A HA 0.169 4.489 4.320 0.001 0.000 0.221 178 A C 2.314 179.721 177.584 -0.296 0.000 1.211 178 A CA 2.516 54.452 52.037 -0.169 0.000 0.657 178 A CB -1.052 17.880 19.000 -0.114 0.000 0.827 178 A HN 2.389 nan 8.150 nan 0.000 0.462 179 G N -2.225 106.253 108.800 -0.537 0.000 2.565 179 G HA2 -0.346 3.615 3.960 0.001 0.000 0.295 179 G HA3 -0.346 3.615 3.960 0.001 0.000 0.295 179 G C 0.926 175.639 174.900 -0.311 0.000 1.165 179 G CA 1.734 46.371 45.100 -0.771 0.000 0.977 179 G HN 1.703 nan 8.290 nan 0.000 0.546 180 T N -1.379 113.059 114.554 -0.194 0.000 3.244 180 T HA 0.615 4.966 4.350 0.001 0.000 0.254 180 T C 1.376 176.019 174.700 -0.096 0.000 1.024 180 T CA 1.525 63.566 62.100 -0.099 0.000 0.920 180 T CB 0.117 68.956 68.868 -0.048 0.000 1.042 180 T HN 2.587 nan 8.240 nan 0.000 0.572 181 A N 0.105 122.860 122.820 -0.107 0.000 2.925 181 A HA -0.107 4.213 4.320 0.001 0.000 0.265 181 A C 1.804 179.322 177.584 -0.110 0.000 1.419 181 A CA 0.958 52.943 52.037 -0.088 0.000 0.807 181 A CB -2.366 16.581 19.000 -0.089 0.000 1.043 181 A HN 0.936 nan 8.150 nan 0.000 0.600 182 G N -1.148 107.585 108.800 -0.112 0.000 2.446 182 G HA2 -0.037 3.924 3.960 0.001 0.000 0.217 182 G HA3 -0.037 3.924 3.960 0.001 0.000 0.217 182 G C 1.096 175.840 174.900 -0.260 0.000 1.168 182 G CA 1.606 46.581 45.100 -0.208 0.000 0.771 182 G HN 0.663 nan 8.290 nan 0.000 0.551 183 F N 0.506 120.371 119.950 -0.142 0.000 2.206 183 F HA 0.157 4.685 4.527 0.002 0.000 0.298 183 F C 2.609 178.339 175.800 -0.117 0.000 1.090 183 F CA 0.591 58.523 58.000 -0.114 0.000 1.323 183 F CB -0.200 38.747 39.000 -0.087 0.000 1.028 183 F HN 0.018 nan 8.300 nan 0.000 0.492 184 L N -0.905 120.344 121.223 0.044 0.000 2.027 184 L HA -0.210 4.131 4.340 0.001 0.000 0.206 184 L C 2.298 178.962 176.870 -0.344 0.000 1.074 184 L CA 0.823 55.611 54.840 -0.087 0.000 0.745 184 L CB -0.631 41.394 42.059 -0.056 0.000 0.898 184 L HN 0.054 nan 8.230 nan 0.000 0.433 185 I N 0.236 120.611 120.570 -0.325 0.000 2.208 185 I HA -0.276 3.894 4.170 0.001 0.000 0.245 185 I C 2.595 178.498 176.117 -0.357 0.000 1.097 185 I CA 1.393 62.425 61.300 -0.447 0.000 1.363 185 I CB -0.424 37.249 38.000 -0.545 0.000 1.051 185 I HN 0.229 nan 8.210 nan 0.000 0.413 186 E N 0.664 120.711 120.200 -0.255 0.000 2.106 186 E HA -0.130 4.221 4.350 0.001 0.000 0.192 186 E C 2.206 178.769 176.600 -0.061 0.000 0.984 186 E CA 1.433 57.738 56.400 -0.158 0.000 0.806 186 E CB -0.286 29.309 29.700 -0.175 0.000 0.750 186 E HN 0.413 nan 8.360 nan 0.000 0.458 187 A N 0.488 123.273 122.820 -0.059 0.000 1.930 187 A HA -0.185 4.135 4.320 0.001 0.000 0.217 187 A C 2.095 179.723 177.584 0.073 0.000 1.175 187 A CA 1.881 53.968 52.037 0.083 0.000 0.627 187 A CB -0.822 18.307 19.000 0.215 0.000 0.815 187 A HN 0.400 nan 8.150 nan 0.000 0.443 188 D N -0.789 119.415 120.400 -0.328 0.000 2.117 188 D HA -0.163 4.477 4.640 0.001 0.000 0.198 188 D C 2.114 178.380 176.300 -0.057 0.000 0.982 188 D CA 1.279 55.069 54.000 -0.351 0.000 0.828 188 D CB -0.187 40.142 40.800 -0.786 0.000 0.967 188 D HN 0.396 nan 8.370 nan 0.000 0.464 189 R N -1.195 119.262 120.500 -0.071 0.000 2.081 189 R HA -0.204 4.137 4.340 0.001 0.000 0.235 189 R C 2.199 178.529 176.300 0.050 0.000 1.131 189 R CA 1.246 57.340 56.100 -0.010 0.000 0.960 189 R CB -0.529 29.753 30.300 -0.030 0.000 0.856 189 R HN 0.346 nan 8.270 nan 0.000 0.436 190 Y N 0.633 120.932 120.300 -0.002 0.000 2.145 190 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 190 Y C 2.061 177.996 175.900 0.058 0.000 1.145 190 Y CA 1.700 59.821 58.100 0.035 0.000 1.148 190 Y CB -0.223 38.270 38.460 0.054 0.000 0.981 190 Y HN -0.164 nan 8.280 nan 0.000 0.507 191 V N 0.659 120.720 119.914 0.244 0.000 2.343 191 V HA -0.321 3.799 4.120 0.001 0.000 0.247 191 V C 2.195 178.320 176.094 0.052 0.000 1.051 191 V CA 2.336 64.745 62.300 0.182 0.000 1.036 191 V CB -0.574 31.431 31.823 0.303 0.000 0.654 191 V HN 0.333 nan 8.190 nan 0.000 0.451 192 K N 0.732 121.161 120.400 0.048 0.000 2.148 192 K HA -0.120 4.201 4.320 0.001 0.000 0.204 192 K C 2.189 178.765 176.600 -0.039 0.000 1.050 192 K CA 1.543 57.839 56.287 0.015 0.000 0.942 192 K CB -0.273 32.240 32.500 0.022 0.000 0.724 192 K HN 0.632 nan 8.250 nan 0.000 0.446 193 S N 0.365 116.009 115.700 -0.095 0.000 2.603 193 S HA -0.034 4.437 4.470 0.001 0.000 0.229 193 S C 1.313 175.812 174.600 -0.168 0.000 0.972 193 S CA 0.516 58.636 58.200 -0.133 0.000 0.935 193 S CB 0.150 63.246 63.200 -0.173 0.000 0.769 193 S HN 0.173 nan 8.310 nan 0.000 0.536 194 Q N 0.923 120.622 119.800 -0.169 0.000 2.189 194 Q HA 0.173 4.513 4.340 0.001 0.000 0.223 194 Q C 0.634 176.597 176.000 -0.061 0.000 0.828 194 Q CA 0.786 56.503 55.803 -0.143 0.000 0.967 194 Q CB 1.007 29.631 28.738 -0.190 0.000 1.139 194 Q HN 0.819 nan 8.270 nan 0.000 0.497 195 T N -3.759 110.773 114.554 -0.038 0.000 3.460 195 T HA 0.197 4.548 4.350 0.001 0.000 0.304 195 T C -0.121 174.576 174.700 -0.005 0.000 0.991 195 T CA -0.494 61.601 62.100 -0.009 0.000 0.975 195 T CB -0.317 68.561 68.868 0.017 0.000 1.196 195 T HN 0.093 nan 8.240 nan 0.000 0.490 196 N N 3.382 122.072 118.700 -0.016 0.000 2.714 196 N HA -0.146 4.595 4.740 0.001 0.000 0.253 196 N C -0.739 174.771 175.510 -0.001 0.000 1.024 196 N CA 1.060 54.103 53.050 -0.011 0.000 0.726 196 N CB -1.351 37.132 38.487 -0.007 0.000 0.908 196 N HN 0.609 nan 8.380 nan 0.000 0.542 197 D N -0.492 119.909 120.400 0.001 0.000 2.708 197 D HA -0.237 4.404 4.640 0.001 0.000 0.236 197 D C 0.660 176.976 176.300 0.027 0.000 1.146 197 D CA 1.280 55.288 54.000 0.014 0.000 0.662 197 D CB -0.831 39.974 40.800 0.008 0.000 1.059 197 D HN 0.674 nan 8.370 nan 0.000 0.428 198 L N -2.165 119.079 121.223 0.035 0.000 5.060 198 L HA -0.285 4.056 4.340 0.001 0.000 0.408 198 L C 1.233 178.125 176.870 0.036 0.000 0.917 198 L CA 1.391 56.259 54.840 0.047 0.000 1.627 198 L CB -1.302 40.794 42.059 0.061 0.000 1.732 198 L HN 0.118 nan 8.230 nan 0.000 0.611 199 D N 0.772 121.186 120.400 0.023 0.000 2.310 199 D HA -0.082 4.558 4.640 0.001 0.000 0.212 199 D C 1.335 177.645 176.300 0.015 0.000 0.965 199 D CA 1.301 55.312 54.000 0.018 0.000 0.879 199 D CB 0.013 40.819 40.800 0.011 0.000 0.921 199 D HN 0.519 nan 8.370 nan 0.000 0.510 200 D N -0.173 120.236 120.400 0.014 0.000 2.349 200 D HA 0.080 4.720 4.640 0.001 0.000 0.215 200 D C 0.550 176.858 176.300 0.015 0.000 1.016 200 D CA 0.187 54.193 54.000 0.010 0.000 0.870 200 D CB 0.435 41.239 40.800 0.005 0.000 0.917 200 D HN 0.226 nan 8.370 nan 0.000 0.524 201 L N 1.406 122.643 121.223 0.024 0.000 2.334 201 L HA 0.307 4.648 4.340 0.001 0.000 0.272 201 L C 0.380 177.268 176.870 0.030 0.000 1.020 201 L CA -1.273 53.584 54.840 0.028 0.000 0.812 201 L CB 1.371 43.456 42.059 0.043 0.000 1.264 201 L HN -0.104 nan 8.230 nan 0.000 0.439 202 D N 1.245 121.660 120.400 0.025 0.000 2.399 202 D HA -0.017 4.624 4.640 0.001 0.000 0.241 202 D C 1.150 177.475 176.300 0.042 0.000 1.133 202 D CA -0.019 53.997 54.000 0.027 0.000 0.890 202 D CB 1.420 42.231 40.800 0.018 0.000 1.201 202 D HN 0.702 nan 8.370 nan 0.000 0.432 203 G N 1.606 110.431 108.800 0.042 0.000 2.545 203 G HA2 -0.413 3.548 3.960 0.001 0.000 0.222 203 G HA3 -0.413 3.548 3.960 0.001 0.000 0.222 203 G C 1.166 176.110 174.900 0.073 0.000 1.126 203 G CA 1.429 46.561 45.100 0.055 0.000 0.754 203 G HN 0.691 nan 8.290 nan 0.000 0.583 204 D N -0.441 119.998 120.400 0.065 0.000 2.144 204 D HA -0.062 4.578 4.640 0.001 0.000 0.200 204 D C 2.531 178.903 176.300 0.120 0.000 0.978 204 D CA 1.646 55.696 54.000 0.082 0.000 0.833 204 D CB -0.285 40.547 40.800 0.054 0.000 0.961 204 D HN 0.252 nan 8.370 nan 0.000 0.470 205 T N -0.181 114.429 114.554 0.093 0.000 2.904 205 T HA -0.099 4.251 4.350 0.001 0.000 0.267 205 T C 1.831 176.638 174.700 0.178 0.000 1.059 205 T CA 0.873 63.044 62.100 0.118 0.000 1.137 205 T CB -0.139 68.760 68.868 0.052 0.000 0.879 205 T HN 0.300 nan 8.240 nan 0.000 0.467 206 Q N 0.801 120.681 119.800 0.134 0.000 2.079 206 Q HA -0.130 4.210 4.340 0.001 0.000 0.200 206 Q C 1.940 178.033 176.000 0.155 0.000 0.974 206 Q CA 1.485 57.365 55.803 0.129 0.000 0.840 206 Q CB -0.227 28.567 28.738 0.093 0.000 0.898 206 Q HN 0.483 nan 8.270 nan 0.000 0.430 207 D N 0.130 120.639 120.400 0.182 0.000 2.144 207 D HA -0.144 4.496 4.640 0.001 0.000 0.199 207 D C 1.347 177.811 176.300 0.273 0.000 0.984 207 D CA 0.749 54.901 54.000 0.253 0.000 0.834 207 D CB -0.113 40.821 40.800 0.224 0.000 0.955 207 D HN 0.117 nan 8.370 nan 0.000 0.465 208 F N 1.235 121.252 119.950 0.113 0.000 2.102 208 F HA -0.182 4.346 4.527 0.001 0.000 0.298 208 F C 2.167 177.999 175.800 0.054 0.000 1.105 208 F CA 1.191 59.239 58.000 0.080 0.000 1.239 208 F CB -0.039 38.983 39.000 0.036 0.000 0.991 208 F HN -0.148 nan 8.300 nan 0.000 0.474 209 Q N 0.255 120.146 119.800 0.152 0.000 2.226 209 Q HA -0.121 4.220 4.340 0.001 0.000 0.204 209 Q C 2.443 178.491 176.000 0.080 0.000 0.975 209 Q CA 1.548 57.406 55.803 0.091 0.000 0.866 209 Q CB -0.312 28.549 28.738 0.205 0.000 0.915 209 Q HN 0.538 nan 8.270 nan 0.000 0.440 210 I N -0.613 119.961 120.570 0.007 0.000 2.480 210 I HA -0.167 4.003 4.170 0.001 0.000 0.251 210 I C 1.797 177.722 176.117 -0.320 0.000 1.124 210 I CA 0.837 62.051 61.300 -0.143 0.000 1.444 210 I CB -0.045 37.807 38.000 -0.246 0.000 1.098 210 I HN 0.220 nan 8.210 nan 0.000 0.428 211 H N -0.246 118.797 119.070 -0.045 0.000 2.855 211 H HA 0.286 4.843 4.556 0.001 0.000 0.259 211 H C 1.457 176.673 175.328 -0.187 0.000 0.972 211 H CA 0.288 56.292 56.048 -0.073 0.000 1.213 211 H CB 0.867 30.604 29.762 -0.042 0.000 1.451 211 H HN 0.237 nan 8.280 nan 0.000 0.484 212 R N -0.134 120.158 120.500 -0.346 0.000 2.513 212 R HA 0.301 4.642 4.340 0.001 0.000 0.245 212 R C 1.966 177.782 176.300 -0.806 0.000 0.908 212 R CA 0.562 56.304 56.100 -0.597 0.000 1.023 212 R CB 0.673 30.482 30.300 -0.818 0.000 1.338 212 R HN 0.027 nan 8.270 nan 0.000 0.575 213 A N 1.171 123.450 122.820 -0.901 0.000 1.933 213 A HA 0.006 4.326 4.320 0.001 0.000 0.218 213 A C 0.362 177.363 177.584 -0.971 0.000 1.175 213 A CA 1.068 52.561 52.037 -0.906 0.000 0.628 213 A CB -0.083 18.312 19.000 -1.008 0.000 0.814 213 A HN 0.114 nan 8.150 nan 0.000 0.444 214 F N -0.979 118.917 119.950 -0.089 0.000 2.520 214 F HA 0.709 5.237 4.527 0.002 0.000 0.322 214 F C -0.258 175.511 175.800 -0.052 0.000 1.103 214 F CA -0.843 57.132 58.000 -0.041 0.000 0.926 214 F CB 1.560 40.543 39.000 -0.028 0.000 1.154 214 F HN -0.125 nan 8.300 nan 0.000 0.453 215 I N 1.587 122.223 120.570 0.110 0.000 2.686 215 I HA 0.741 4.912 4.170 0.001 0.000 0.295 215 I C -0.154 175.986 176.117 0.038 0.000 1.114 215 I CA -0.714 60.609 61.300 0.039 0.000 1.038 215 I CB 2.401 40.390 38.000 -0.018 0.000 1.238 215 I HN 0.761 nan 8.210 nan 0.000 0.420 216 G N 4.305 113.110 108.800 0.009 0.000 2.680 216 G HA2 0.790 4.750 3.960 0.001 0.000 0.290 216 G HA3 0.790 4.750 3.960 0.001 0.000 0.290 216 G C -2.176 172.707 174.900 -0.028 0.000 1.355 216 G CA -0.527 44.568 45.100 -0.007 0.000 0.903 216 G HN 0.358 nan 8.290 nan 0.000 0.474 217 L N 0.104 121.306 121.223 -0.035 0.000 2.516 217 L HA 0.762 5.103 4.340 0.001 0.000 0.267 217 L C -1.258 175.590 176.870 -0.035 0.000 0.957 217 L CA -0.693 54.125 54.840 -0.036 0.000 0.860 217 L CB 2.217 44.248 42.059 -0.047 0.000 1.265 217 L HN 0.606 nan 8.230 nan 0.000 0.403 218 E N 3.153 123.336 120.200 -0.028 0.000 2.248 218 E HA 0.362 4.713 4.350 0.001 0.000 0.267 218 E C -0.332 176.279 176.600 0.018 0.000 0.877 218 E CA -0.542 55.841 56.400 -0.027 0.000 0.759 218 E CB 1.854 31.517 29.700 -0.061 0.000 1.182 218 E HN 0.601 nan 8.360 nan 0.000 0.418 219 L N 4.191 125.450 121.223 0.059 0.000 2.068 219 L HA 0.258 4.598 4.340 0.001 0.000 0.204 219 L C 0.003 176.913 176.870 0.066 0.000 1.076 219 L CA 0.972 55.853 54.840 0.068 0.000 0.753 219 L CB 0.309 42.428 42.059 0.100 0.000 0.910 219 L HN 0.459 nan 8.230 nan 0.000 0.439 220 V N 3.115 123.084 119.914 0.091 0.000 2.415 220 V HA 0.119 4.240 4.120 0.001 0.000 0.267 220 V C -1.077 175.051 176.094 0.057 0.000 1.042 220 V CA -0.754 61.594 62.300 0.081 0.000 1.000 220 V CB 0.248 32.140 31.823 0.115 0.000 1.015 220 V HN 0.301 nan 8.190 nan 0.000 0.478 221 P HA -0.170 nan 4.420 nan 0.000 0.217 221 P C 1.581 178.900 177.300 0.032 0.000 1.148 221 P CA 1.829 64.948 63.100 0.033 0.000 0.828 221 P CB 0.315 32.032 31.700 0.028 0.000 0.783 222 G N -0.337 108.486 108.800 0.038 0.000 2.421 222 G HA2 -0.207 3.754 3.960 0.001 0.000 0.216 222 G HA3 -0.207 3.754 3.960 0.001 0.000 0.216 222 G C 1.579 176.503 174.900 0.040 0.000 1.171 222 G CA 1.467 46.590 45.100 0.037 0.000 0.775 222 G HN 0.208 nan 8.290 nan 0.000 0.543 223 T N 0.229 114.816 114.554 0.054 0.000 2.777 223 T HA -0.058 4.292 4.350 0.001 0.000 0.266 223 T C 2.308 177.014 174.700 0.011 0.000 1.040 223 T CA 1.028 63.158 62.100 0.049 0.000 1.141 223 T CB -0.133 68.790 68.868 0.091 0.000 0.868 223 T HN 0.220 nan 8.240 nan 0.000 0.444 224 R N 1.137 121.642 120.500 0.008 0.000 2.127 224 R HA -0.093 4.247 4.340 0.001 0.000 0.238 224 R C 2.525 178.827 176.300 0.003 0.000 1.134 224 R CA 1.339 57.437 56.100 -0.004 0.000 0.975 224 R CB -0.221 30.082 30.300 0.006 0.000 0.865 224 R HN 0.317 nan 8.270 nan 0.000 0.447 225 R N 0.464 120.972 120.500 0.013 0.000 2.070 225 R HA -0.097 4.243 4.340 0.001 0.000 0.233 225 R C 2.496 178.803 176.300 0.012 0.000 1.137 225 R CA 1.511 57.620 56.100 0.014 0.000 0.945 225 R CB -0.360 29.951 30.300 0.018 0.000 0.845 225 R HN 0.244 nan 8.270 nan 0.000 0.430 226 L N 0.348 121.578 121.223 0.013 0.000 2.043 226 L HA -0.203 4.138 4.340 0.001 0.000 0.212 226 L C 2.723 179.595 176.870 0.004 0.000 1.075 226 L CA 1.492 56.339 54.840 0.012 0.000 0.752 226 L CB -0.645 41.424 42.059 0.017 0.000 0.891 226 L HN 0.383 nan 8.230 nan 0.000 0.432 227 A N -0.221 122.594 122.820 -0.009 0.000 1.933 227 A HA -0.068 4.253 4.320 0.001 0.000 0.218 227 A C 1.522 179.101 177.584 -0.009 0.000 1.175 227 A CA 0.804 52.827 52.037 -0.023 0.000 0.628 227 A CB -0.511 18.460 19.000 -0.047 0.000 0.814 227 A HN 0.240 nan 8.150 nan 0.000 0.444 231 C N 1.807 121.141 119.300 0.057 0.000 2.446 231 C HA 0.137 4.597 4.460 0.001 0.000 0.277 231 C C 2.580 177.604 174.990 0.058 0.000 1.275 231 C CA 0.530 59.571 59.018 0.040 0.000 1.727 231 C CB -1.159 26.580 27.740 -0.003 0.000 2.010 231 C HN 0.514 nan 8.230 nan 0.000 0.486 232 L N 0.945 122.188 121.223 0.034 0.000 2.012 232 L HA -0.117 4.223 4.340 0.001 0.000 0.210 232 L C 2.059 178.927 176.870 -0.004 0.000 1.073 232 L CA 2.097 56.945 54.840 0.013 0.000 0.748 232 L CB -1.017 41.048 42.059 0.010 0.000 0.891 232 L HN 0.388 nan 8.230 nan 0.000 0.431 233 L N -1.145 120.068 121.223 -0.018 0.000 2.610 233 L HA -0.101 4.239 4.340 0.001 0.000 0.232 233 L C 1.504 178.247 176.870 -0.213 0.000 1.149 233 L CA 0.084 54.861 54.840 -0.105 0.000 0.872 233 L CB -0.451 41.529 42.059 -0.133 0.000 0.992 233 L HN 0.361 nan 8.230 nan 0.000 0.447 234 H N -0.474 118.565 119.070 -0.051 0.000 2.672 234 H HA 0.072 4.628 4.556 0.000 0.000 0.277 234 H C -0.117 175.172 175.328 -0.064 0.000 1.074 234 H CA -0.019 55.990 56.048 -0.065 0.000 1.173 234 H CB 0.645 30.352 29.762 -0.091 0.000 1.558 234 H HN 0.231 nan 8.280 nan 0.000 0.539 235 D N 0.582 120.995 120.400 0.021 0.000 2.907 235 D HA -0.174 4.467 4.640 0.001 0.000 0.226 235 D C 0.020 176.310 176.300 -0.017 0.000 1.141 235 D CA 0.505 54.502 54.000 -0.005 0.000 0.779 235 D CB -1.649 39.148 40.800 -0.006 0.000 1.095 235 D HN 0.460 nan 8.370 nan 0.000 0.430 236 I N 1.060 121.624 120.570 -0.009 0.000 2.347 236 I HA 0.084 4.254 4.170 0.001 0.000 0.283 236 I C 1.569 177.667 176.117 -0.032 0.000 1.058 236 I CA -0.362 60.926 61.300 -0.020 0.000 1.202 236 I CB 0.861 38.844 38.000 -0.029 0.000 1.386 236 I HN -0.121 nan 8.210 nan 0.000 0.475 237 E N 4.119 124.258 120.200 -0.102 0.000 2.170 237 E HA 0.117 4.468 4.350 0.001 0.000 0.191 237 E C 1.451 178.056 176.600 0.009 0.000 0.981 237 E CA 0.463 56.820 56.400 -0.072 0.000 0.830 237 E CB 0.189 29.801 29.700 -0.146 0.000 0.775 237 E HN 0.872 nan 8.360 nan 0.000 0.470 238 G N 2.226 111.023 108.800 -0.006 0.000 2.575 238 G HA2 -0.365 3.595 3.960 0.001 0.000 0.267 238 G HA3 -0.365 3.595 3.960 0.001 0.000 0.267 238 G C -0.280 174.724 174.900 0.174 0.000 1.264 238 G CA 0.077 45.221 45.100 0.074 0.000 0.935 238 G HN 0.392 nan 8.290 nan 0.000 0.568 239 N N 0.137 118.922 118.700 0.141 0.000 2.437 239 N HA 0.435 5.175 4.740 0.001 0.000 0.259 239 N C 1.722 177.321 175.510 0.150 0.000 0.983 239 N CA -0.636 52.512 53.050 0.162 0.000 0.937 239 N CB 0.571 39.177 38.487 0.198 0.000 1.122 239 N HN 0.471 nan 8.380 nan 0.000 0.499 240 L N 2.874 124.161 121.223 0.107 0.000 2.187 240 L HA -0.172 4.169 4.340 0.001 0.000 0.213 240 L C 1.326 178.207 176.870 0.019 0.000 1.100 240 L CA 1.121 55.999 54.840 0.064 0.000 0.765 240 L CB -0.190 41.895 42.059 0.043 0.000 0.904 240 L HN 0.625 nan 8.230 nan 0.000 0.437 241 D N -1.338 119.054 120.400 -0.014 0.000 2.218 241 D HA -0.144 4.497 4.640 0.001 0.000 0.204 241 D C 1.632 177.746 176.300 -0.310 0.000 0.976 241 D CA 1.094 54.989 54.000 -0.175 0.000 0.853 241 D CB 0.057 40.703 40.800 -0.258 0.000 0.939 241 D HN 0.396 nan 8.370 nan 0.000 0.481 242 H N -2.051 117.029 119.070 0.016 0.000 2.592 242 H HA 0.355 4.912 4.556 0.001 0.000 0.279 242 H C 1.479 176.816 175.328 0.015 0.000 1.089 242 H CA 0.615 56.672 56.048 0.014 0.000 1.150 242 H CB 1.239 31.009 29.762 0.013 0.000 1.575 242 H HN 0.181 nan 8.280 nan 0.000 0.547 243 G N 0.457 109.314 108.800 0.096 0.000 2.234 243 G HA2 -0.195 3.765 3.960 0.001 0.000 0.235 243 G HA3 -0.195 3.765 3.960 0.001 0.000 0.235 243 G C 0.674 175.617 174.900 0.071 0.000 0.997 243 G CA 0.034 45.175 45.100 0.068 0.000 0.623 243 G HN 0.925 nan 8.290 nan 0.000 0.514 244 G N -1.682 107.175 108.800 0.094 0.000 2.332 244 G HA2 0.531 4.491 3.960 0.001 0.000 0.265 244 G HA3 0.531 4.491 3.960 0.001 0.000 0.265 244 G C 0.817 175.758 174.900 0.068 0.000 1.329 244 G CA 1.243 46.389 45.100 0.076 0.000 0.949 244 G HN 1.665 nan 8.290 nan 0.000 0.476 245 A N -0.796 122.053 122.820 0.048 0.000 1.933 245 A HA 0.347 4.667 4.320 0.001 0.000 0.218 245 A C 1.148 178.747 177.584 0.025 0.000 1.175 245 A CA 1.740 53.803 52.037 0.043 0.000 0.628 245 A CB -0.407 18.623 19.000 0.049 0.000 0.814 245 A HN 0.838 nan 8.150 nan 0.000 0.444 246 I N 0.805 121.386 120.570 0.017 0.000 2.304 246 I HA 0.254 4.424 4.170 0.001 0.000 0.291 246 I C 0.427 176.550 176.117 0.010 0.000 1.018 246 I CA -0.121 61.179 61.300 0.001 0.000 1.260 246 I CB 1.250 39.243 38.000 -0.012 0.000 1.390 246 I HN 0.172 nan 8.210 nan 0.000 0.475 247 R N 5.373 125.869 120.500 -0.006 0.000 2.500 247 R HA 0.517 4.858 4.340 0.001 0.000 0.277 247 R C -0.738 175.568 176.300 0.011 0.000 1.026 247 R CA -0.986 55.120 56.100 0.009 0.000 1.058 247 R CB 1.245 31.516 30.300 -0.048 0.000 1.078 247 R HN 0.426 nan 8.270 nan 0.000 0.509 248 L N 2.086 123.328 121.223 0.032 0.000 2.264 248 L HA 0.574 4.914 4.340 0.001 0.000 0.289 248 L C -0.159 176.726 176.870 0.024 0.000 1.044 248 L CA 0.634 55.490 54.840 0.026 0.000 0.807 248 L CB 0.643 42.722 42.059 0.032 0.000 1.192 248 L HN 0.918 nan 8.230 nan 0.000 0.425 249 G N 4.031 112.839 108.800 0.014 0.000 2.315 249 G HA2 -0.003 3.958 3.960 0.001 0.000 0.294 249 G HA3 -0.003 3.958 3.960 0.001 0.000 0.294 249 G C -1.830 173.070 174.900 0.001 0.000 1.300 249 G CA -0.853 44.252 45.100 0.008 0.000 0.843 249 G HN 0.589 nan 8.290 nan 0.000 0.527 250 N N -0.368 118.325 118.700 -0.012 0.000 2.437 250 N HA 0.462 5.202 4.740 0.001 0.000 0.259 250 N C 1.332 176.793 175.510 -0.082 0.000 0.983 250 N CA 0.307 53.342 53.050 -0.026 0.000 0.937 250 N CB 1.495 39.972 38.487 -0.016 0.000 1.122 250 N HN 0.350 nan 8.380 nan 0.000 0.499 251 T N 3.213 117.684 114.554 -0.140 0.000 2.881 251 T HA -0.060 4.291 4.350 0.001 0.000 0.270 251 T C 1.282 175.805 174.700 -0.295 0.000 1.068 251 T CA 1.058 62.974 62.100 -0.306 0.000 1.131 251 T CB -0.080 68.503 68.868 -0.475 0.000 0.871 251 T HN 0.505 nan 8.240 nan 0.000 0.479 252 L N 0.477 121.566 121.223 -0.224 0.000 2.629 252 L HA 0.351 4.691 4.340 0.001 0.000 0.230 252 L C 1.380 178.230 176.870 -0.033 0.000 1.151 252 L CA -0.513 54.285 54.840 -0.070 0.000 0.924 252 L CB -0.261 41.751 42.059 -0.078 0.000 1.137 252 L HN 0.209 nan 8.230 nan 0.000 0.457 253 G N -1.118 107.643 108.800 -0.065 0.000 3.122 253 G HA2 0.244 4.205 3.960 0.001 0.000 0.180 253 G HA3 0.244 4.205 3.960 0.001 0.000 0.180 253 G C 0.615 175.473 174.900 -0.070 0.000 1.279 253 G CA 0.045 45.111 45.100 -0.057 0.000 0.987 253 G HN -0.054 nan 8.290 nan 0.000 0.589 254 S N 0.526 116.195 115.700 -0.052 0.000 2.383 254 S HA -0.087 4.383 4.470 0.001 0.000 0.227 254 S C 1.794 176.372 174.600 -0.036 0.000 1.026 254 S CA 1.548 59.720 58.200 -0.047 0.000 0.981 254 S CB -0.248 62.934 63.200 -0.030 0.000 0.818 254 S HN 0.564 nan 8.310 nan 0.000 0.472 255 D N 1.552 121.934 120.400 -0.029 0.000 2.149 255 D HA -0.073 4.568 4.640 0.001 0.000 0.198 255 D C 2.140 178.419 176.300 -0.035 0.000 0.990 255 D CA 1.246 55.232 54.000 -0.024 0.000 0.839 255 D CB -0.692 40.096 40.800 -0.021 0.000 0.948 255 D HN 0.496 nan 8.370 nan 0.000 0.460 256 G N 1.697 110.464 108.800 -0.056 0.000 2.421 256 G HA2 -0.281 3.679 3.960 0.001 0.000 0.216 256 G HA3 -0.281 3.679 3.960 0.001 0.000 0.216 256 G C 1.426 176.362 174.900 0.060 0.000 1.171 256 G CA 0.927 45.995 45.100 -0.053 0.000 0.775 256 G HN 0.457 nan 8.290 nan 0.000 0.543 257 E N 0.086 120.288 120.200 0.005 0.000 2.427 257 E HA 0.028 4.379 4.350 0.001 0.000 0.196 257 E C 1.547 178.140 176.600 -0.011 0.000 1.028 257 E CA 0.550 56.946 56.400 -0.007 0.000 0.864 257 E CB -0.309 29.347 29.700 -0.073 0.000 0.813 257 E HN 0.521 nan 8.360 nan 0.000 0.514 258 N N 0.316 119.011 118.700 -0.009 0.000 2.398 258 N HA 0.055 4.796 4.740 0.001 0.000 0.188 258 N C -0.431 175.070 175.510 -0.015 0.000 1.122 258 N CA -0.414 52.632 53.050 -0.007 0.000 0.866 258 N CB 0.255 38.745 38.487 0.004 0.000 0.970 258 N HN 0.052 nan 8.380 nan 0.000 0.462 259 L N 2.421 123.641 121.223 -0.004 0.000 2.397 259 L HA 0.267 4.608 4.340 0.001 0.000 0.271 259 L C -1.905 174.950 176.870 -0.025 0.000 1.148 259 L CA -2.053 52.778 54.840 -0.017 0.000 0.825 259 L CB 0.149 42.236 42.059 0.047 0.000 1.117 259 L HN -0.000 nan 8.230 nan 0.000 0.456 260 P HA 0.125 nan 4.420 nan 0.000 0.275 260 P C -0.768 176.472 177.300 -0.100 0.000 1.228 260 P CA -0.570 62.500 63.100 -0.051 0.000 0.786 260 P CB 0.596 32.277 31.700 -0.032 0.000 0.927 261 K N 0.907 121.202 120.400 -0.174 0.000 2.229 261 K HA 0.408 4.729 4.320 0.001 0.000 0.250 261 K C 0.409 176.757 176.600 -0.421 0.000 1.016 261 K CA 0.198 56.242 56.287 -0.405 0.000 0.866 261 K CB -0.141 31.899 32.500 -0.767 0.000 1.028 261 K HN 0.699 nan 8.250 nan 0.000 0.514 262 A N 0.244 122.742 122.820 -0.537 0.000 2.572 262 A HA 0.449 4.770 4.320 0.001 0.000 0.295 262 A C 0.087 177.552 177.584 -0.199 0.000 1.072 262 A CA -0.667 51.199 52.037 -0.285 0.000 0.691 262 A CB 0.864 19.798 19.000 -0.110 0.000 1.291 262 A HN 0.750 nan 8.150 nan 0.000 0.404 263 H N 0.434 119.613 119.070 0.182 0.000 2.465 263 H HA 0.309 4.865 4.556 0.001 0.000 0.289 263 H C -0.016 175.370 175.328 0.097 0.000 1.022 263 H CA 1.269 57.431 56.048 0.190 0.000 1.340 263 H CB 0.380 30.238 29.762 0.160 0.000 1.437 263 H HN 0.480 nan 8.280 nan 0.000 0.539 264 I N 0.775 121.438 120.570 0.155 0.000 2.647 264 I HA 0.288 4.458 4.170 0.001 0.000 0.295 264 I C -0.939 175.191 176.117 0.021 0.000 1.078 264 I CA -0.816 60.528 61.300 0.073 0.000 1.048 264 I CB 3.461 41.510 38.000 0.081 0.000 1.239 264 I HN -0.304 nan 8.210 nan 0.000 0.421 265 V N 4.119 124.011 119.914 -0.037 0.000 2.524 265 V HA 0.714 4.834 4.120 0.001 0.000 0.297 265 V C -0.502 175.501 176.094 -0.152 0.000 1.035 265 V CA -0.462 61.798 62.300 -0.067 0.000 0.867 265 V CB 1.711 33.502 31.823 -0.053 0.000 1.004 265 V HN 0.815 nan 8.190 nan 0.000 0.426 266 A N 3.271 125.975 122.820 -0.194 0.000 2.332 266 A HA 0.906 5.227 4.320 0.001 0.000 0.300 266 A C -0.418 176.709 177.584 -0.761 0.000 1.153 266 A CA -0.480 51.310 52.037 -0.410 0.000 0.764 266 A CB 1.843 20.733 19.000 -0.183 0.000 1.174 266 A HN 0.758 nan 8.150 nan 0.000 0.467 267 T N 0.866 114.906 114.554 -0.858 0.000 2.853 267 T HA 0.508 4.858 4.350 0.001 0.000 0.311 267 T C -1.765 172.555 174.700 -0.633 0.000 1.307 267 T CA -0.513 61.121 62.100 -0.775 0.000 1.019 267 T CB 1.437 70.103 68.868 -0.337 0.000 1.264 267 T HN 0.606 nan 8.240 nan 0.000 0.497 268 N N 3.273 121.722 118.700 -0.419 0.000 2.790 268 N HA 0.396 5.136 4.740 0.001 0.000 0.256 268 N C -2.615 172.703 175.510 -0.320 0.000 1.409 268 N CA -1.723 51.187 53.050 -0.233 0.000 0.799 268 N CB 1.089 39.583 38.487 0.011 0.000 1.170 268 N HN 0.399 nan 8.380 nan 0.000 0.507 269 P HA 0.217 nan 4.420 nan 0.000 0.270 269 P C -2.655 174.279 177.300 -0.610 0.000 1.227 269 P CA -0.783 61.888 63.100 -0.715 0.000 0.788 269 P CB -0.237 30.755 31.700 -1.180 0.000 0.926 270 P HA 0.111 nan 4.420 nan 0.000 0.267 270 P C -0.343 176.773 177.300 -0.308 0.000 1.200 270 P CA 0.585 63.417 63.100 -0.446 0.000 0.772 270 P CB 0.148 31.696 31.700 -0.253 0.000 0.855 271 F N 0.753 120.582 119.950 -0.201 0.000 2.380 271 F HA 0.501 5.029 4.527 0.000 0.000 0.319 271 F C 1.739 177.458 175.800 -0.135 0.000 1.113 271 F CA -0.087 57.803 58.000 -0.183 0.000 1.056 271 F CB 0.402 39.278 39.000 -0.207 0.000 1.289 271 F HN 0.546 nan 8.300 nan 0.000 0.515 272 G N 0.567 109.430 108.800 0.104 0.000 2.641 272 G HA2 -0.329 3.631 3.960 0.001 0.000 0.254 272 G HA3 -0.329 3.631 3.960 0.001 0.000 0.254 272 G C 0.490 175.402 174.900 0.019 0.000 1.315 272 G CA 0.005 45.122 45.100 0.029 0.000 0.907 272 G HN 0.773 nan 8.290 nan 0.000 0.572 273 S N 0.606 116.312 115.700 0.010 0.000 2.720 273 S HA 0.431 4.902 4.470 0.001 0.000 0.222 273 S C 1.488 176.098 174.600 0.016 0.000 0.958 273 S CA 1.489 59.697 58.200 0.012 0.000 0.943 273 S CB -1.671 61.535 63.200 0.009 0.000 0.779 273 S HN 2.560 nan 8.310 nan 0.000 0.526 274 A N 0.286 123.110 122.820 0.006 0.000 6.484 274 A HA 0.084 4.404 4.320 0.001 0.000 0.261 274 A C 0.810 178.391 177.584 -0.006 0.000 2.084 274 A CA 0.379 52.412 52.037 -0.007 0.000 0.721 274 A CB -1.828 17.195 19.000 0.039 0.000 1.059 274 A HN 1.445 nan 8.150 nan 0.000 0.382 275 A N -0.732 122.084 122.820 -0.007 0.000 2.599 275 A HA 0.624 4.944 4.320 0.001 0.000 0.257 275 A C 1.489 179.086 177.584 0.021 0.000 1.641 275 A CA 0.583 52.620 52.037 0.000 0.000 0.842 275 A CB -0.747 18.253 19.000 -0.001 0.000 1.599 275 A HN 2.657 nan 8.150 nan 0.000 0.585 276 G N 0.558 109.372 108.800 0.022 0.000 2.789 276 G HA2 0.419 4.379 3.960 0.001 0.000 0.281 276 G HA3 0.419 4.379 3.960 0.001 0.000 0.281 276 G C -0.052 174.868 174.900 0.033 0.000 0.708 276 G CA 0.621 45.736 45.100 0.024 0.000 2.067 276 G HN 0.855 nan 8.290 nan 0.000 0.554 277 T N 0.147 114.723 114.554 0.038 0.000 3.064 277 T HA 0.277 4.627 4.350 0.001 0.000 0.367 277 T C -0.035 174.683 174.700 0.029 0.000 1.202 277 T CA -1.206 60.919 62.100 0.042 0.000 1.133 277 T CB 0.616 69.529 68.868 0.075 0.000 1.074 277 T HN 0.481 nan 8.240 nan 0.000 0.519 278 N N 3.200 121.912 118.700 0.019 0.000 2.497 278 N HA 0.152 4.893 4.740 0.001 0.000 0.271 278 N C -0.117 175.402 175.510 0.016 0.000 1.142 278 N CA -0.657 52.402 53.050 0.015 0.000 0.965 278 N CB 1.264 39.758 38.487 0.010 0.000 1.077 278 N HN 0.592 nan 8.380 nan 0.000 0.462 279 I N 1.465 122.051 120.570 0.026 0.000 2.270 279 I HA -0.033 4.138 4.170 0.001 0.000 0.294 279 I C 1.047 177.184 176.117 0.034 0.000 1.164 279 I CA -0.201 61.130 61.300 0.051 0.000 1.680 279 I CB -0.757 37.290 38.000 0.078 0.000 1.494 279 I HN 0.554 nan 8.210 nan 0.000 0.767 280 T N 1.632 116.188 114.554 0.003 0.000 3.327 280 T HA 0.250 4.600 4.350 0.001 0.000 0.241 280 T C 0.253 174.916 174.700 -0.062 0.000 0.907 280 T CA -0.580 61.507 62.100 -0.021 0.000 0.931 280 T CB -0.165 68.690 68.868 -0.022 0.000 1.112 280 T HN 0.532 nan 8.240 nan 0.000 0.589 281 R N 0.278 120.724 120.500 -0.090 0.000 2.651 281 R HA 0.469 4.809 4.340 0.001 0.000 0.278 281 R C -1.365 174.736 176.300 -0.331 0.000 1.010 281 R CA -0.458 55.494 56.100 -0.246 0.000 0.896 281 R CB 1.699 31.784 30.300 -0.358 0.000 1.211 281 R HN 0.210 nan 8.270 nan 0.000 0.456 282 T N 3.955 118.296 114.554 -0.354 0.000 2.845 282 T HA 0.429 4.780 4.350 0.001 0.000 0.288 282 T C -0.694 173.737 174.700 -0.449 0.000 0.980 282 T CA 0.087 62.029 62.100 -0.263 0.000 1.071 282 T CB 0.338 69.115 68.868 -0.151 0.000 0.941 282 T HN 0.274 nan 8.240 nan 0.000 0.487 283 F N 0.342 120.261 119.950 -0.051 0.000 2.618 283 F HA 0.375 4.902 4.527 0.001 0.000 0.332 283 F C 1.491 177.235 175.800 -0.093 0.000 1.061 283 F CA -1.163 56.802 58.000 -0.058 0.000 0.974 283 F CB 1.013 39.990 39.000 -0.038 0.000 1.310 283 F HN 0.244 nan 8.300 nan 0.000 0.491 284 V N -0.057 119.916 119.914 0.100 0.000 2.546 284 V HA -0.228 3.892 4.120 0.001 0.000 0.254 284 V C 0.066 175.933 176.094 -0.378 0.000 1.076 284 V CA 1.588 63.798 62.300 -0.151 0.000 1.087 284 V CB -0.985 30.741 31.823 -0.163 0.000 0.674 284 V HN 0.522 nan 8.190 nan 0.000 0.470 285 H N -1.408 117.702 119.070 0.068 0.000 2.808 285 H HA 0.308 4.864 4.556 0.001 0.000 0.268 285 H C -2.740 172.600 175.328 0.020 0.000 1.306 285 H CA -2.293 53.762 56.048 0.012 0.000 1.565 285 H CB 1.098 30.839 29.762 -0.035 0.000 1.632 285 H HN 0.237 nan 8.280 nan 0.000 0.525 286 P HA -0.005 nan 4.420 nan 0.000 0.261 286 P C -0.142 177.178 177.300 0.033 0.000 1.173 286 P CA 0.822 63.983 63.100 0.102 0.000 0.760 286 P CB 0.818 32.557 31.700 0.066 0.000 0.783 287 T N 1.358 115.915 114.554 0.005 0.000 2.864 287 T HA 0.287 4.638 4.350 0.001 0.000 0.299 287 T C 0.642 175.310 174.700 -0.054 0.000 1.166 287 T CA -0.434 61.633 62.100 -0.057 0.000 1.007 287 T CB 1.523 70.334 68.868 -0.094 0.000 1.219 287 T HN -0.015 nan 8.240 nan 0.000 0.506 288 S N 0.764 116.417 115.700 -0.078 0.000 2.540 288 S HA 0.157 4.628 4.470 0.001 0.000 0.218 288 S C 0.573 175.137 174.600 -0.060 0.000 0.977 288 S CA -0.307 57.854 58.200 -0.064 0.000 0.918 288 S CB -0.285 62.863 63.200 -0.087 0.000 0.806 288 S HN 0.629 nan 8.310 nan 0.000 0.496 289 N N 1.998 120.653 118.700 -0.075 0.000 2.415 289 N HA 0.093 4.834 4.740 0.001 0.000 0.246 289 N C 1.173 176.658 175.510 -0.041 0.000 1.078 289 N CA -0.347 52.664 53.050 -0.064 0.000 0.942 289 N CB 0.302 38.735 38.487 -0.090 0.000 1.140 289 N HN -0.126 nan 8.380 nan 0.000 0.501 290 K N 2.396 122.801 120.400 0.007 0.000 2.044 290 K HA -0.230 4.090 4.320 0.001 0.000 0.210 290 K C 1.440 178.141 176.600 0.169 0.000 1.049 290 K CA 1.738 58.075 56.287 0.084 0.000 0.927 290 K CB -0.225 32.351 32.500 0.128 0.000 0.713 290 K HN 0.662 nan 8.250 nan 0.000 0.443 291 Q N 0.629 120.483 119.800 0.091 0.000 2.084 291 Q HA -0.007 4.333 4.340 0.001 0.000 0.202 291 Q C 2.219 178.246 176.000 0.044 0.000 0.978 291 Q CA 0.983 56.832 55.803 0.076 0.000 0.844 291 Q CB -0.224 28.508 28.738 -0.010 0.000 0.898 291 Q HN 0.241 nan 8.270 nan 0.000 0.426 292 L N -0.733 120.464 121.223 -0.044 0.000 2.362 292 L HA -0.167 4.174 4.340 0.001 0.000 0.219 292 L C 1.947 178.704 176.870 -0.188 0.000 1.134 292 L CA 0.282 55.059 54.840 -0.105 0.000 0.807 292 L CB -0.198 41.783 42.059 -0.129 0.000 0.927 292 L HN 0.402 nan 8.230 nan 0.000 0.447 293 C N -1.013 118.152 119.300 -0.226 0.000 2.486 293 C HA -0.024 4.436 4.460 0.001 0.000 0.279 293 C C 1.710 176.402 174.990 -0.496 0.000 1.302 293 C CA -0.564 58.106 59.018 -0.579 0.000 1.720 293 C CB -0.486 26.966 27.740 -0.479 0.000 2.030 293 C HN 0.173 nan 8.230 nan 0.000 0.490 297 H N 1.910 120.989 119.070 0.016 0.000 2.326 297 H HA 0.075 4.632 4.556 0.001 0.000 0.301 297 H C 1.916 177.299 175.328 0.092 0.000 1.081 297 H CA 2.244 58.382 56.048 0.150 0.000 1.334 297 H CB -0.041 29.762 29.762 0.068 0.000 1.385 297 H HN 0.162 nan 8.280 nan 0.000 0.504 298 I N 0.205 120.844 120.570 0.115 0.000 2.264 298 I HA -0.254 3.916 4.170 0.001 0.000 0.248 298 I C 2.171 178.324 176.117 0.060 0.000 1.111 298 I CA 1.291 62.655 61.300 0.107 0.000 1.382 298 I CB -0.229 37.916 38.000 0.240 0.000 1.060 298 I HN 0.367 nan 8.210 nan 0.000 0.418 299 I N 0.419 121.029 120.570 0.068 0.000 2.315 299 I HA -0.261 3.909 4.170 0.001 0.000 0.248 299 I C 2.580 178.699 176.117 0.004 0.000 1.117 299 I CA 1.210 62.548 61.300 0.062 0.000 1.404 299 I CB -0.258 37.746 38.000 0.007 0.000 1.071 299 I HN 0.243 nan 8.210 nan 0.000 0.419 300 E N 1.261 121.426 120.200 -0.059 0.000 2.028 300 E HA -0.188 4.162 4.350 0.001 0.000 0.190 300 E C 2.073 178.574 176.600 -0.165 0.000 0.984 300 E CA 2.299 58.640 56.400 -0.097 0.000 0.800 300 E CB -0.288 29.356 29.700 -0.093 0.000 0.758 300 E HN 0.466 nan 8.360 nan 0.000 0.448 301 T N -0.645 113.733 114.554 -0.292 0.000 2.962 301 T HA -0.005 4.345 4.350 0.001 0.000 0.270 301 T C 0.997 175.546 174.700 -0.251 0.000 1.088 301 T CA 0.219 62.148 62.100 -0.286 0.000 1.127 301 T CB -0.359 68.320 68.868 -0.315 0.000 0.883 301 T HN 0.029 nan 8.240 nan 0.000 0.493 302 L N 2.678 123.814 121.223 -0.144 0.000 2.462 302 L HA 0.159 4.500 4.340 0.001 0.000 0.272 302 L C 0.974 177.798 176.870 -0.078 0.000 1.166 302 L CA -0.478 54.310 54.840 -0.086 0.000 0.880 302 L CB 0.231 42.322 42.059 0.053 0.000 1.142 302 L HN 0.321 nan 8.230 nan 0.000 0.473 303 H N 3.489 122.551 119.070 -0.013 0.000 2.745 303 H HA 0.119 4.675 4.556 0.001 0.000 0.373 303 H C -2.041 173.327 175.328 0.065 0.000 1.226 303 H CA -1.745 54.306 56.048 0.006 0.000 1.435 303 H CB 0.302 30.060 29.762 -0.005 0.000 1.461 303 H HN 0.318 nan 8.280 nan 0.000 0.616 304 P HA 0.033 nan 4.420 nan 0.000 0.267 304 P C 0.755 178.154 177.300 0.165 0.000 1.205 304 P CA 1.276 64.466 63.100 0.149 0.000 0.765 304 P CB 0.438 32.202 31.700 0.107 0.000 0.828 305 G N 2.141 111.039 108.800 0.163 0.000 2.176 305 G HA2 -0.175 3.785 3.960 0.001 0.000 0.253 305 G HA3 -0.175 3.785 3.960 0.001 0.000 0.253 305 G C 0.682 175.749 174.900 0.277 0.000 0.979 305 G CA -0.214 44.988 45.100 0.170 0.000 0.641 305 G HN 0.867 nan 8.290 nan 0.000 0.530 306 G N -0.038 108.920 108.800 0.263 0.000 2.699 306 G HA2 0.572 4.532 3.960 0.001 0.000 0.246 306 G HA3 0.572 4.532 3.960 0.001 0.000 0.246 306 G C 0.288 175.334 174.900 0.244 0.000 1.219 306 G CA 0.398 45.650 45.100 0.253 0.000 0.866 306 G HN 1.256 nan 8.290 nan 0.000 0.572 307 R N -1.043 119.539 120.500 0.138 0.000 2.771 307 R HA 0.806 5.146 4.340 0.001 0.000 0.274 307 R C -0.967 175.267 176.300 -0.109 0.000 0.987 307 R CA -0.845 55.278 56.100 0.038 0.000 0.908 307 R CB 1.861 32.133 30.300 -0.045 0.000 1.213 307 R HN 0.923 nan 8.270 nan 0.000 0.468 308 A N 0.937 123.560 122.820 -0.329 0.000 2.609 308 A HA 0.863 5.183 4.320 0.001 0.000 0.291 308 A C -1.683 175.572 177.584 -0.548 0.000 1.096 308 A CA -0.506 51.249 52.037 -0.471 0.000 0.684 308 A CB 2.108 20.729 19.000 -0.631 0.000 1.282 308 A HN 1.024 nan 8.150 nan 0.000 0.412 309 A N 0.497 123.046 122.820 -0.452 0.000 2.385 309 A HA 0.656 4.977 4.320 0.001 0.000 0.290 309 A C -1.327 175.978 177.584 -0.466 0.000 1.094 309 A CA -0.373 51.325 52.037 -0.564 0.000 0.729 309 A CB 1.090 19.845 19.000 -0.407 0.000 1.194 309 A HN 1.477 nan 8.150 nan 0.000 0.442 310 V N 3.117 122.790 119.914 -0.402 0.000 2.531 310 V HA 0.353 4.473 4.120 0.001 0.000 0.301 310 V C -0.071 175.911 176.094 -0.186 0.000 1.034 310 V CA -0.695 61.460 62.300 -0.242 0.000 0.865 310 V CB 1.773 33.557 31.823 -0.064 0.000 0.995 310 V HN 0.655 nan 8.190 nan 0.000 0.424 311 V N 6.239 126.063 119.914 -0.150 0.000 2.455 311 V HA 0.450 4.571 4.120 0.001 0.000 0.273 311 V C 0.184 176.282 176.094 0.007 0.000 1.045 311 V CA -0.023 62.260 62.300 -0.027 0.000 0.976 311 V CB 1.131 33.003 31.823 0.082 0.000 0.993 311 V HN 0.765 nan 8.190 nan 0.000 0.475 312 V N 3.983 123.900 119.914 0.006 0.000 3.102 312 V HA 0.806 4.927 4.120 0.001 0.000 0.312 312 V C -2.976 173.056 176.094 -0.104 0.000 1.135 312 V CA -2.768 59.526 62.300 -0.010 0.000 1.022 312 V CB 2.425 34.218 31.823 -0.050 0.000 1.056 312 V HN 0.605 nan 8.190 nan 0.000 0.436 313 P HA 0.446 nan 4.420 nan 0.000 0.278 313 P C -0.276 176.840 177.300 -0.306 0.000 1.258 313 P CA -0.173 62.716 63.100 -0.352 0.000 0.811 313 P CB 0.806 32.269 31.700 -0.397 0.000 1.063 314 D N 0.012 120.236 120.400 -0.294 0.000 2.149 314 D HA -0.178 4.462 4.640 0.001 0.000 0.198 314 D C 1.446 177.236 176.300 -0.850 0.000 0.990 314 D CA 1.359 55.178 54.000 -0.301 0.000 0.839 314 D CB -0.392 40.408 40.800 -0.000 0.000 0.948 314 D HN 0.361 nan 8.370 nan 0.000 0.460 315 N N 0.358 118.498 118.700 -0.933 0.000 2.060 315 N HA -0.162 4.578 4.740 0.001 0.000 0.195 315 N C 1.988 176.961 175.510 -0.895 0.000 1.028 315 N CA 0.859 53.134 53.050 -1.292 0.000 0.861 315 N CB -0.846 37.351 38.487 -0.484 0.000 1.029 315 N HN 0.163 nan 8.380 nan 0.000 0.428 316 V N 1.761 121.375 119.914 -0.499 0.000 2.453 316 V HA -0.191 3.930 4.120 0.001 0.000 0.252 316 V C 2.370 178.289 176.094 -0.291 0.000 1.068 316 V CA 1.305 63.419 62.300 -0.309 0.000 1.070 316 V CB -0.569 31.132 31.823 -0.202 0.000 0.664 316 V HN 0.253 nan 8.190 nan 0.000 0.461 317 L N -0.898 120.112 121.223 -0.354 0.000 2.162 317 L HA -0.024 4.317 4.340 0.001 0.000 0.205 317 L C 2.259 179.059 176.870 -0.118 0.000 1.086 317 L CA 1.329 56.051 54.840 -0.197 0.000 0.778 317 L CB -0.437 41.550 42.059 -0.120 0.000 0.928 317 L HN 0.553 nan 8.230 nan 0.000 0.446 318 F N -0.585 119.329 119.950 -0.058 0.000 2.694 318 F HA 0.294 4.821 4.527 0.000 0.000 0.292 318 F C 1.070 176.834 175.800 -0.061 0.000 1.121 318 F CA -1.116 56.850 58.000 -0.058 0.000 1.352 318 F CB -0.949 38.022 39.000 -0.048 0.000 1.107 318 F HN -0.129 nan 8.300 nan 0.000 0.597 319 E N 1.643 121.893 120.200 0.084 0.000 2.604 319 E HA 0.318 4.669 4.350 0.001 0.000 0.267 319 E C 0.755 177.381 176.600 0.042 0.000 0.970 319 E CA 0.752 57.221 56.400 0.116 0.000 0.956 319 E CB 0.352 30.006 29.700 -0.076 0.000 0.939 319 E HN 0.479 nan 8.360 nan 0.000 0.465 320 G N 2.064 110.881 108.800 0.028 0.000 2.736 320 G HA2 0.567 4.527 3.960 0.001 0.000 0.229 320 G HA3 0.567 4.527 3.960 0.001 0.000 0.229 320 G C 0.634 175.470 174.900 -0.107 0.000 1.380 320 G CA -0.155 44.923 45.100 -0.038 0.000 1.040 320 G HN 1.044 nan 8.290 nan 0.000 0.568 321 G N 0.002 108.716 108.800 -0.143 0.000 2.596 321 G HA2 -0.314 3.647 3.960 0.001 0.000 0.304 321 G HA3 -0.314 3.647 3.960 0.001 0.000 0.304 321 G C 1.323 176.088 174.900 -0.225 0.000 1.189 321 G CA 0.893 45.861 45.100 -0.220 0.000 0.986 321 G HN 0.690 nan 8.290 nan 0.000 0.548 322 K N 1.996 122.254 120.400 -0.237 0.000 2.283 322 K HA -0.000 4.320 4.320 0.001 0.000 0.202 322 K C 2.730 179.200 176.600 -0.218 0.000 1.048 322 K CA 1.671 57.820 56.287 -0.230 0.000 0.948 322 K CB -1.050 31.338 32.500 -0.186 0.000 0.742 322 K HN 0.670 nan 8.250 nan 0.000 0.458 323 G N 0.899 109.592 108.800 -0.178 0.000 2.442 323 G HA2 -0.247 3.714 3.960 0.001 0.000 0.219 323 G HA3 -0.247 3.714 3.960 0.001 0.000 0.219 323 G C 1.493 176.298 174.900 -0.158 0.000 1.141 323 G CA 1.370 46.376 45.100 -0.156 0.000 0.763 323 G HN 0.267 nan 8.290 nan 0.000 0.554 324 T N 0.792 115.251 114.554 -0.158 0.000 2.857 324 T HA -0.038 4.312 4.350 0.001 0.000 0.266 324 T C 1.949 176.536 174.700 -0.190 0.000 1.048 324 T CA 1.231 63.242 62.100 -0.148 0.000 1.139 324 T CB -0.172 68.617 68.868 -0.131 0.000 0.874 324 T HN 0.209 nan 8.240 nan 0.000 0.455 325 D N 1.219 121.454 120.400 -0.275 0.000 2.097 325 D HA 0.011 4.651 4.640 0.001 0.000 0.197 325 D C 2.085 178.142 176.300 -0.405 0.000 0.984 325 D CA 0.872 54.615 54.000 -0.428 0.000 0.826 325 D CB -0.207 40.141 40.800 -0.754 0.000 0.973 325 D HN 0.358 nan 8.370 nan 0.000 0.460 326 I N 0.526 120.904 120.570 -0.321 0.000 2.394 326 I HA -0.174 3.997 4.170 0.001 0.000 0.251 326 I C 2.590 178.632 176.117 -0.126 0.000 1.136 326 I CA 0.629 61.835 61.300 -0.157 0.000 1.425 326 I CB -0.089 37.835 38.000 -0.126 0.000 1.079 326 I HN -0.119 nan 8.210 nan 0.000 0.425 327 R N 0.824 121.240 120.500 -0.140 0.000 2.115 327 R HA -0.047 4.293 4.340 0.001 0.000 0.226 327 R C 2.373 178.612 176.300 -0.102 0.000 1.100 327 R CA 0.941 56.968 56.100 -0.121 0.000 0.980 327 R CB 0.060 30.294 30.300 -0.111 0.000 0.875 327 R HN 0.257 nan 8.270 nan 0.000 0.445 328 R N -0.395 120.045 120.500 -0.100 0.000 2.119 328 R HA -0.076 4.264 4.340 0.001 0.000 0.222 328 R C 1.598 177.873 176.300 -0.043 0.000 1.088 328 R CA 1.331 57.390 56.100 -0.069 0.000 0.984 328 R CB -0.112 30.143 30.300 -0.075 0.000 0.884 328 R HN 0.175 nan 8.270 nan 0.000 0.447 329 D N 0.432 120.809 120.400 -0.037 0.000 2.117 329 D HA -0.085 4.556 4.640 0.001 0.000 0.198 329 D C 0.697 176.976 176.300 -0.035 0.000 0.982 329 D CA 0.473 54.480 54.000 0.012 0.000 0.828 329 D CB 0.044 40.900 40.800 0.093 0.000 0.967 329 D HN -0.101 nan 8.370 nan 0.000 0.464 333 K N 0.128 120.541 120.400 0.022 0.000 2.365 333 K HA 0.148 4.469 4.320 0.001 0.000 0.199 333 K C 0.387 177.027 176.600 0.066 0.000 1.045 333 K CA 0.651 56.959 56.287 0.036 0.000 0.962 333 K CB 0.507 33.019 32.500 0.020 0.000 0.759 333 K HN 0.139 nan 8.250 nan 0.000 0.469 334 C N -0.556 118.776 119.300 0.053 0.000 2.848 334 C HA 0.259 4.720 4.460 0.001 0.000 0.317 334 C C -0.149 174.961 174.990 0.201 0.000 1.260 334 C CA -1.113 57.982 59.018 0.128 0.000 1.656 334 C CB 1.342 29.076 27.740 -0.011 0.000 2.174 334 C HN 0.403 nan 8.230 nan 0.000 0.479 335 H N 1.986 121.186 119.070 0.217 0.000 2.680 335 H HA 0.363 4.919 4.556 0.001 0.000 0.260 335 H C -0.921 174.622 175.328 0.359 0.000 1.328 335 H CA -0.506 55.691 56.048 0.247 0.000 1.269 335 H CB 0.404 30.317 29.762 0.252 0.000 1.446 335 H HN 0.590 nan 8.280 nan 0.000 0.527 336 L N 6.938 128.183 121.223 0.037 0.000 2.433 336 L HA 0.018 4.358 4.340 0.001 0.000 0.275 336 L C 1.159 177.974 176.870 -0.092 0.000 1.128 336 L CA 0.397 55.255 54.840 0.029 0.000 0.875 336 L CB 0.141 42.206 42.059 0.011 0.000 1.171 336 L HN 0.669 nan 8.230 nan 0.000 0.463 337 H N 1.064 120.141 119.070 0.012 0.000 3.017 337 H HA 0.333 4.889 4.556 0.001 0.000 0.255 337 H C -0.401 175.084 175.328 0.261 0.000 0.990 337 H CA -0.040 56.022 56.048 0.023 0.000 1.205 337 H CB 0.431 30.156 29.762 -0.061 0.000 1.460 337 H HN 0.495 nan 8.280 nan 0.000 0.478 338 T N 2.288 116.880 114.554 0.064 0.000 2.916 338 T HA 0.570 4.921 4.350 0.001 0.000 0.298 338 T C -0.507 174.511 174.700 0.529 0.000 1.031 338 T CA -0.575 61.776 62.100 0.417 0.000 0.993 338 T CB 2.438 71.609 68.868 0.504 0.000 1.045 338 T HN 0.145 nan 8.240 nan 0.000 0.454 339 I N 3.251 124.147 120.570 0.543 0.000 2.468 339 I HA 0.396 4.566 4.170 0.001 0.000 0.285 339 I C -1.231 175.166 176.117 0.466 0.000 1.039 339 I CA -0.971 60.600 61.300 0.452 0.000 1.074 339 I CB 1.946 40.126 38.000 0.299 0.000 1.228 339 I HN 0.343 nan 8.210 nan 0.000 0.436 340 L N 7.575 129.026 121.223 0.379 0.000 2.280 340 L HA 0.474 4.814 4.340 0.001 0.000 0.287 340 L C -0.193 176.743 176.870 0.110 0.000 1.023 340 L CA -0.141 54.788 54.840 0.149 0.000 0.819 340 L CB 0.584 42.564 42.059 -0.131 0.000 1.212 340 L HN 0.449 nan 8.230 nan 0.000 0.420 341 R N 6.465 127.032 120.500 0.111 0.000 2.205 341 R HA 0.372 4.712 4.340 0.001 0.000 0.342 341 R C -0.691 175.619 176.300 0.018 0.000 1.058 341 R CA -0.636 55.494 56.100 0.049 0.000 0.904 341 R CB 0.357 30.672 30.300 0.025 0.000 1.089 341 R HN 0.640 nan 8.270 nan 0.000 0.471 342 L N 4.688 125.908 121.223 -0.005 0.000 2.464 342 L HA 0.221 4.561 4.340 0.001 0.000 0.264 342 L C -1.790 175.032 176.870 -0.079 0.000 1.199 342 L CA -1.688 53.124 54.840 -0.047 0.000 0.818 342 L CB 0.169 42.211 42.059 -0.029 0.000 1.102 342 L HN 0.209 nan 8.230 nan 0.000 0.473 343 P HA 0.166 nan 4.420 nan 0.000 0.293 343 P C -0.976 176.274 177.300 -0.084 0.000 1.298 343 P CA -0.377 62.663 63.100 -0.100 0.000 0.757 343 P CB 0.461 32.094 31.700 -0.110 0.000 1.262 344 T N -4.677 109.873 114.554 -0.006 0.000 2.912 344 T HA 0.572 4.923 4.350 0.001 0.000 0.288 344 T C 0.691 175.427 174.700 0.061 0.000 1.030 344 T CA -0.141 61.968 62.100 0.015 0.000 1.020 344 T CB 1.133 70.007 68.868 0.011 0.000 1.056 344 T HN 0.785 nan 8.240 nan 0.000 0.480 345 G N 1.055 109.900 108.800 0.076 0.000 2.136 345 G HA2 -0.250 3.711 3.960 0.001 0.000 0.242 345 G HA3 -0.250 3.711 3.960 0.001 0.000 0.242 345 G C 0.529 175.479 174.900 0.083 0.000 0.989 345 G CA 0.326 45.489 45.100 0.105 0.000 0.682 345 G HN 1.313 nan 8.290 nan 0.000 0.522 346 I N -3.873 116.681 120.570 -0.026 0.000 3.783 346 I HA 0.583 4.754 4.170 0.001 0.000 0.310 346 I C 0.605 176.688 176.117 -0.057 0.000 1.274 346 I CA -0.399 60.766 61.300 -0.225 0.000 1.294 346 I CB 0.126 37.642 38.000 -0.808 0.000 1.051 346 I HN -0.020 nan 8.210 nan 0.000 0.435 347 F N -0.019 120.026 119.950 0.157 0.000 2.458 347 F HA 0.404 4.932 4.527 0.001 0.000 0.330 347 F C 0.948 176.993 175.800 0.409 0.000 1.082 347 F CA -0.684 57.531 58.000 0.357 0.000 0.995 347 F CB 0.735 39.891 39.000 0.260 0.000 1.170 347 F HN -0.217 nan 8.300 nan 0.000 0.478 348 Y N 1.417 121.978 120.300 0.434 0.000 2.365 348 Y HA -0.194 4.356 4.550 0.001 0.000 0.287 348 Y C 1.717 177.699 175.900 0.136 0.000 1.162 348 Y CA 0.541 58.709 58.100 0.112 0.000 1.260 348 Y CB -1.026 37.422 38.460 -0.019 0.000 0.976 348 Y HN 0.604 nan 8.280 nan 0.000 0.548 349 A N -0.994 122.051 122.820 0.376 0.000 3.559 349 A HA 0.147 4.467 4.320 0.001 0.000 0.145 349 A C 1.632 179.300 177.584 0.139 0.000 1.506 349 A CA 1.375 53.535 52.037 0.205 0.000 1.065 349 A CB -0.057 19.052 19.000 0.181 0.000 1.485 349 A HN 0.271 nan 8.150 nan 0.000 0.698 350 Q N -3.705 116.149 119.800 0.089 0.000 1.561 350 Q HA 0.033 4.373 4.340 0.001 0.000 0.144 350 Q C 0.989 176.995 176.000 0.010 0.000 0.523 350 Q CA 0.669 56.505 55.803 0.055 0.000 0.856 350 Q CB -0.604 28.149 28.738 0.025 0.000 0.915 350 Q HN 0.839 nan 8.270 nan 0.000 0.194 351 G N 2.546 111.332 108.800 -0.023 0.000 3.471 351 G HA2 0.403 4.364 3.960 0.001 0.000 0.254 351 G HA3 0.403 4.364 3.960 0.001 0.000 0.254 351 G C -0.039 174.802 174.900 -0.098 0.000 1.199 351 G CA 0.590 45.659 45.100 -0.051 0.000 1.683 351 G HN 0.092 nan 8.290 nan 0.000 0.625 352 V N -2.476 117.358 119.914 -0.134 0.000 2.378 352 V HA 0.546 4.666 4.120 0.001 0.000 0.288 352 V C -0.292 175.639 176.094 -0.272 0.000 1.016 352 V CA -1.707 60.428 62.300 -0.275 0.000 0.840 352 V CB 1.509 33.055 31.823 -0.461 0.000 0.994 352 V HN 0.150 nan 8.190 nan 0.000 0.431 353 K N 3.830 124.082 120.400 -0.248 0.000 2.276 353 K HA 0.593 4.914 4.320 0.001 0.000 0.285 353 K C 0.254 176.691 176.600 -0.272 0.000 1.062 353 K CA -0.102 56.074 56.287 -0.185 0.000 0.918 353 K CB 1.430 33.872 32.500 -0.098 0.000 1.055 353 K HN 1.010 nan 8.250 nan 0.000 0.477 354 T N 0.266 114.690 114.554 -0.217 0.000 2.916 354 T HA 0.559 4.910 4.350 0.001 0.000 0.292 354 T C -0.475 174.181 174.700 -0.074 0.000 1.055 354 T CA -1.073 60.900 62.100 -0.211 0.000 1.009 354 T CB 1.403 70.132 68.868 -0.231 0.000 1.118 354 T HN 0.495 nan 8.240 nan 0.000 0.497 355 N N -0.659 118.012 118.700 -0.048 0.000 2.831 355 N HA 0.714 5.454 4.740 0.001 0.000 0.276 355 N C -1.742 173.775 175.510 0.011 0.000 1.416 355 N CA -0.961 52.090 53.050 0.002 0.000 0.799 355 N CB 1.938 40.427 38.487 0.004 0.000 1.554 355 N HN 0.567 nan 8.380 nan 0.000 0.541 356 V N 1.013 120.941 119.914 0.024 0.000 2.482 356 V HA 0.419 4.539 4.120 0.001 0.000 0.295 356 V C -0.900 175.124 176.094 -0.116 0.000 1.026 356 V CA -0.650 61.592 62.300 -0.097 0.000 0.856 356 V CB 1.119 32.883 31.823 -0.098 0.000 1.001 356 V HN 0.431 nan 8.190 nan 0.000 0.424 357 L N 5.038 126.159 121.223 -0.171 0.000 2.307 357 L HA 0.622 4.962 4.340 0.001 0.000 0.282 357 L C -0.973 175.762 176.870 -0.225 0.000 1.051 357 L CA -0.168 54.675 54.840 0.005 0.000 0.804 357 L CB 1.101 43.259 42.059 0.165 0.000 1.197 357 L HN 0.451 nan 8.230 nan 0.000 0.431 358 F N 3.944 123.954 119.950 0.100 0.000 2.449 358 F HA 0.624 5.151 4.527 0.000 0.000 0.342 358 F C -0.123 175.525 175.800 -0.253 0.000 1.127 358 F CA -0.672 57.286 58.000 -0.070 0.000 0.975 358 F CB 1.388 40.452 39.000 0.106 0.000 1.146 358 F HN 0.256 nan 8.300 nan 0.000 0.444 359 F N -0.865 119.114 119.950 0.048 0.000 2.713 359 F HA 0.802 5.329 4.527 0.001 0.000 0.311 359 F C -1.176 174.805 175.800 0.301 0.000 1.141 359 F CA -1.130 56.935 58.000 0.108 0.000 0.939 359 F CB 1.269 40.296 39.000 0.045 0.000 1.325 359 F HN 0.147 nan 8.300 nan 0.000 0.453 360 T N 1.006 115.950 114.554 0.650 0.000 2.856 360 T HA 0.400 4.750 4.350 0.001 0.000 0.283 360 T C -0.959 174.034 174.700 0.488 0.000 1.008 360 T CA -0.732 61.689 62.100 0.535 0.000 0.997 360 T CB 1.485 70.711 68.868 0.596 0.000 0.992 360 T HN 0.732 nan 8.240 nan 0.000 0.454 361 K N 2.392 123.016 120.400 0.374 0.000 2.363 361 K HA 0.485 4.805 4.320 0.001 0.000 0.289 361 K C 1.000 177.729 176.600 0.216 0.000 1.063 361 K CA 1.037 57.491 56.287 0.279 0.000 0.967 361 K CB -0.652 31.979 32.500 0.218 0.000 0.987 361 K HN 0.888 nan 8.250 nan 0.000 0.473 362 G N 2.622 111.534 108.800 0.187 0.000 2.525 362 G HA2 -0.266 3.695 3.960 0.001 0.000 0.248 362 G HA3 -0.266 3.695 3.960 0.001 0.000 0.248 362 G C -0.367 174.617 174.900 0.140 0.000 1.238 362 G CA -0.039 45.140 45.100 0.132 0.000 0.926 362 G HN 1.158 nan 8.290 nan 0.000 0.574 363 T N -3.691 110.896 114.554 0.054 0.000 2.906 363 T HA 0.663 5.014 4.350 0.001 0.000 0.295 363 T C 1.227 175.885 174.700 -0.069 0.000 1.075 363 T CA 0.430 62.514 62.100 -0.027 0.000 1.005 363 T CB 1.765 70.561 68.868 -0.119 0.000 1.136 363 T HN 1.337 nan 8.240 nan 0.000 0.498 364 V N 1.579 121.403 119.914 -0.149 0.000 2.332 364 V HA -0.126 3.995 4.120 0.001 0.000 0.248 364 V C 3.091 179.108 176.094 -0.127 0.000 1.055 364 V CA 2.622 64.793 62.300 -0.215 0.000 1.038 364 V CB -1.443 30.206 31.823 -0.290 0.000 0.651 364 V HN 1.072 nan 8.190 nan 0.000 0.450 365 A N -0.286 122.471 122.820 -0.105 0.000 1.930 365 A HA -0.076 4.245 4.320 0.001 0.000 0.217 365 A C 1.157 178.713 177.584 -0.048 0.000 1.175 365 A CA 1.321 53.316 52.037 -0.071 0.000 0.627 365 A CB -0.197 18.763 19.000 -0.066 0.000 0.815 365 A HN 0.608 nan 8.150 nan 0.000 0.443 366 N N -0.743 117.932 118.700 -0.041 0.000 2.762 366 N HA 0.255 4.995 4.740 0.001 0.000 0.252 366 N C -2.652 172.858 175.510 -0.001 0.000 1.269 366 N CA -1.101 51.939 53.050 -0.017 0.000 0.799 366 N CB 1.316 39.796 38.487 -0.012 0.000 1.173 366 N HN -0.008 nan 8.380 nan 0.000 0.516 367 P HA -0.057 nan 4.420 nan 0.000 0.224 367 P C 0.562 177.891 177.300 0.048 0.000 1.142 367 P CA 1.171 64.290 63.100 0.033 0.000 0.778 367 P CB 0.369 32.088 31.700 0.031 0.000 0.764 368 N N -1.784 116.937 118.700 0.034 0.000 2.184 368 N HA 0.015 4.755 4.740 0.001 0.000 0.206 368 N C 0.492 176.022 175.510 0.034 0.000 1.151 368 N CA -0.032 53.041 53.050 0.037 0.000 0.878 368 N CB 0.165 38.669 38.487 0.028 0.000 1.014 368 N HN 0.304 nan 8.380 nan 0.000 0.512 369 Q N 1.231 121.050 119.800 0.032 0.000 2.283 369 Q HA -0.087 4.253 4.340 0.001 0.000 0.301 369 Q C 0.021 176.044 176.000 0.039 0.000 1.063 369 Q CA 0.597 56.419 55.803 0.031 0.000 0.952 369 Q CB 0.635 29.390 28.738 0.028 0.000 1.166 369 Q HN 0.041 nan 8.270 nan 0.000 0.381 370 D N 2.633 123.052 120.400 0.031 0.000 2.355 370 D HA 0.107 4.748 4.640 0.001 0.000 0.206 370 D C -0.376 175.943 176.300 0.031 0.000 1.010 370 D CA 0.844 54.862 54.000 0.030 0.000 0.875 370 D CB 0.600 41.413 40.800 0.021 0.000 0.966 370 D HN 0.374 nan 8.370 nan 0.000 0.512 371 K N 0.164 120.583 120.400 0.032 0.000 2.509 371 K HA 0.252 4.572 4.320 0.001 0.000 0.266 371 K C -0.312 176.311 176.600 0.039 0.000 0.987 371 K CA -0.758 55.549 56.287 0.032 0.000 0.868 371 K CB 1.721 34.236 32.500 0.025 0.000 1.421 371 K HN -0.276 nan 8.250 nan 0.000 0.444 372 N N -0.150 118.575 118.700 0.042 0.000 2.696 372 N HA -0.208 4.533 4.740 0.001 0.000 0.249 372 N C 0.625 176.180 175.510 0.074 0.000 1.090 372 N CA 0.631 53.712 53.050 0.052 0.000 0.716 372 N CB -2.111 36.399 38.487 0.039 0.000 1.020 372 N HN 0.591 nan 8.380 nan 0.000 0.548 373 C N -0.316 119.040 119.300 0.094 0.000 2.440 373 C HA -0.043 4.418 4.460 0.001 0.000 0.278 373 C C 1.520 176.670 174.990 0.266 0.000 1.295 373 C CA 0.691 59.793 59.018 0.140 0.000 1.738 373 C CB -0.504 27.333 27.740 0.160 0.000 1.987 373 C HN 0.461 nan 8.230 nan 0.000 0.492 374 T N 1.980 116.674 114.554 0.233 0.000 2.832 374 T HA 0.219 4.569 4.350 0.001 0.000 0.296 374 T C 0.668 175.494 174.700 0.210 0.000 0.968 374 T CA 0.075 62.335 62.100 0.267 0.000 1.107 374 T CB 0.736 69.681 68.868 0.128 0.000 0.916 374 T HN 0.595 nan 8.240 nan 0.000 0.517 375 D N 1.661 122.209 120.400 0.247 0.000 3.195 375 D HA 0.070 4.711 4.640 0.001 0.000 0.245 375 D C -0.450 175.925 176.300 0.124 0.000 1.462 375 D CA -0.009 54.090 54.000 0.164 0.000 1.259 375 D CB 0.373 41.269 40.800 0.159 0.000 1.199 375 D HN 0.315 nan 8.370 nan 0.000 0.345 376 D N 0.832 121.319 120.400 0.145 0.000 2.278 376 D HA 0.455 5.095 4.640 0.001 0.000 0.245 376 D C -0.825 175.505 176.300 0.049 0.000 1.052 376 D CA -0.429 53.593 54.000 0.037 0.000 0.834 376 D CB 3.055 43.858 40.800 0.005 0.000 1.194 376 D HN -0.100 nan 8.370 nan 0.000 0.481 377 V N 3.187 123.084 119.914 -0.028 0.000 2.384 377 V HA 0.320 4.440 4.120 0.001 0.000 0.287 377 V C -0.614 175.430 176.094 -0.083 0.000 1.020 377 V CA -0.829 61.505 62.300 0.057 0.000 0.850 377 V CB 1.247 33.144 31.823 0.123 0.000 0.987 377 V HN 0.428 nan 8.190 nan 0.000 0.436 378 W N 3.720 125.012 121.300 -0.013 0.000 2.390 378 W HA 0.671 5.331 4.660 0.001 0.000 0.312 378 W C -0.367 176.169 176.519 0.028 0.000 1.123 378 W CA -0.439 56.770 57.345 -0.225 0.000 1.202 378 W CB 1.574 30.720 29.460 -0.523 0.000 1.251 378 W HN 0.291 nan 8.180 nan 0.000 0.511 379 V N 4.044 124.134 119.914 0.294 0.000 2.555 379 V HA 0.316 4.436 4.120 0.001 0.000 0.302 379 V C -1.396 175.175 176.094 0.795 0.000 1.038 379 V CA -1.304 61.331 62.300 0.558 0.000 0.887 379 V CB 1.566 33.755 31.823 0.609 0.000 0.991 379 V HN 0.344 nan 8.190 nan 0.000 0.434 380 Y N 2.857 123.586 120.300 0.716 0.000 2.345 380 Y HA 0.428 4.978 4.550 0.000 0.000 0.331 380 Y C 0.000 176.098 175.900 0.329 0.000 0.959 380 Y CA -0.742 57.793 58.100 0.725 0.000 1.204 380 Y CB 1.240 40.152 38.460 0.753 0.000 1.135 380 Y HN 0.705 nan 8.280 nan 0.000 0.477 381 D N 6.779 127.100 120.400 -0.132 0.000 2.402 381 D HA 0.061 4.702 4.640 0.001 0.000 0.235 381 D C -0.068 176.125 176.300 -0.179 0.000 1.226 381 D CA 0.442 54.303 54.000 -0.232 0.000 0.918 381 D CB 0.611 41.100 40.800 -0.519 0.000 1.043 381 D HN 0.779 nan 8.370 nan 0.000 0.506 382 L N 4.364 125.614 121.223 0.044 0.000 2.965 382 L HA 0.224 4.564 4.340 0.001 0.000 0.254 382 L C 1.472 178.347 176.870 0.009 0.000 1.220 382 L CA -0.054 54.855 54.840 0.115 0.000 1.023 382 L CB 0.160 42.380 42.059 0.268 0.000 1.355 382 L HN 0.320 nan 8.230 nan 0.000 0.545 383 R N -0.565 119.914 120.500 -0.035 0.000 2.107 383 R HA 0.068 4.408 4.340 0.001 0.000 0.195 383 R C 0.871 177.146 176.300 -0.043 0.000 1.214 383 R CA 0.714 56.791 56.100 -0.038 0.000 1.129 383 R CB 0.071 30.340 30.300 -0.052 0.000 1.045 383 R HN 0.307 nan 8.270 nan 0.000 0.489 384 T N 0.928 115.434 114.554 -0.080 0.000 2.928 384 T HA 0.078 4.428 4.350 0.001 0.000 0.305 384 T C 0.313 174.993 174.700 -0.033 0.000 1.035 384 T CA -0.087 61.972 62.100 -0.070 0.000 1.145 384 T CB 0.312 69.111 68.868 -0.115 0.000 0.963 384 T HN 0.557 nan 8.240 nan 0.000 0.545 388 S N 2.095 117.619 115.700 -0.293 0.000 2.973 388 S HA 0.120 4.591 4.470 0.001 0.000 0.357 388 S C 0.426 174.904 174.600 -0.204 0.000 1.159 388 S CA -0.215 57.876 58.200 -0.182 0.000 1.423 388 S CB -0.960 62.191 63.200 -0.083 0.000 1.115 388 S HN 0.255 nan 8.310 nan 0.000 0.563 389 F N 2.473 122.410 119.950 -0.022 0.000 2.459 389 F HA 0.579 5.106 4.527 -0.000 0.000 0.346 389 F C 1.484 177.293 175.800 0.015 0.000 1.128 389 F CA 0.961 58.961 58.000 -0.000 0.000 1.268 389 F CB 0.674 39.659 39.000 -0.026 0.000 1.161 389 F HN 0.876 nan 8.300 nan 0.000 0.583 390 G N 1.556 110.500 108.800 0.241 0.000 2.428 390 G HA2 0.116 4.077 3.960 0.001 0.000 0.304 390 G HA3 0.116 4.077 3.960 0.001 0.000 0.304 390 G C -0.262 174.714 174.900 0.128 0.000 1.303 390 G CA -0.779 44.404 45.100 0.138 0.000 0.825 390 G HN 0.512 nan 8.290 nan 0.000 0.484 391 K N -0.029 120.414 120.400 0.071 0.000 2.280 391 K HA -0.096 4.224 4.320 0.001 0.000 0.202 391 K C 2.497 179.139 176.600 0.069 0.000 1.047 391 K CA 1.513 57.837 56.287 0.062 0.000 0.942 391 K CB -0.054 32.458 32.500 0.020 0.000 0.739 391 K HN 0.430 nan 8.250 nan 0.000 0.457 392 R N -0.478 120.060 120.500 0.062 0.000 2.057 392 R HA 0.010 4.351 4.340 0.001 0.000 0.224 392 R C 0.438 176.784 176.300 0.078 0.000 1.136 392 R CA 0.907 57.039 56.100 0.054 0.000 0.968 392 R CB -0.962 29.357 30.300 0.032 0.000 0.863 392 R HN -0.074 nan 8.270 nan 0.000 0.433 393 T N 5.090 119.700 114.554 0.093 0.000 3.145 393 T HA 0.296 4.646 4.350 0.001 0.000 0.362 393 T C -2.505 172.377 174.700 0.303 0.000 1.340 393 T CA -1.390 60.781 62.100 0.118 0.000 1.069 393 T CB 1.743 70.587 68.868 -0.040 0.000 1.129 393 T HN 0.159 nan 8.240 nan 0.000 0.585 394 P HA 0.207 nan 4.420 nan 0.000 0.275 394 P C -0.640 176.999 177.300 0.565 0.000 1.227 394 P CA -0.608 62.716 63.100 0.373 0.000 0.781 394 P CB 0.745 32.586 31.700 0.235 0.000 0.906 395 F N 3.965 124.027 119.950 0.187 0.000 2.413 395 F HA 0.305 4.832 4.527 -0.000 0.000 0.359 395 F C 0.461 176.342 175.800 0.135 0.000 1.122 395 F CA 0.244 58.174 58.000 -0.117 0.000 1.160 395 F CB 0.278 38.895 39.000 -0.638 0.000 1.146 395 F HN 0.306 nan 8.300 nan 0.000 0.514 396 T N 0.805 115.361 114.554 0.003 0.000 2.905 396 T HA 0.326 4.677 4.350 0.001 0.000 0.283 396 T C 0.582 175.045 174.700 -0.394 0.000 1.031 396 T CA -0.573 61.415 62.100 -0.187 0.000 1.002 396 T CB 1.238 70.048 68.868 -0.097 0.000 1.200 396 T HN 0.390 nan 8.240 nan 0.000 0.560 397 D N -0.031 120.208 120.400 -0.270 0.000 2.263 397 D HA -0.006 4.634 4.640 0.001 0.000 0.208 397 D C 1.676 177.854 176.300 -0.203 0.000 0.971 397 D CA 0.690 54.549 54.000 -0.235 0.000 0.867 397 D CB -0.180 40.520 40.800 -0.167 0.000 0.929 397 D HN 0.576 nan 8.370 nan 0.000 0.492 398 E N -0.046 120.014 120.200 -0.234 0.000 2.110 398 E HA -0.151 4.199 4.350 0.001 0.000 0.193 398 E C 1.636 178.176 176.600 -0.100 0.000 0.988 398 E CA 0.895 57.175 56.400 -0.200 0.000 0.804 398 E CB -0.145 29.393 29.700 -0.270 0.000 0.745 398 E HN 0.517 nan 8.360 nan 0.000 0.458 399 H N -0.913 118.166 119.070 0.015 0.000 2.524 399 H HA 0.027 4.583 4.556 0.000 0.000 0.282 399 H C 1.654 177.052 175.328 0.117 0.000 1.016 399 H CA 0.810 56.946 56.048 0.146 0.000 1.270 399 H CB 0.206 29.902 29.762 -0.108 0.000 1.394 399 H HN 0.189 nan 8.280 nan 0.000 0.568 400 L N 0.025 121.288 121.223 0.068 0.000 2.590 400 L HA 0.020 4.360 4.340 0.001 0.000 0.227 400 L C 2.303 179.216 176.870 0.073 0.000 1.099 400 L CA 0.124 55.022 54.840 0.097 0.000 0.872 400 L CB 0.074 42.155 42.059 0.037 0.000 1.088 400 L HN 0.073 nan 8.230 nan 0.000 0.479 401 Q N 0.478 120.294 119.800 0.027 0.000 2.096 401 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 401 Q C -0.552 175.421 176.000 -0.045 0.000 0.982 401 Q CA 1.722 57.508 55.803 -0.029 0.000 0.850 401 Q CB -0.884 27.830 28.738 -0.040 0.000 0.901 401 Q HN 0.411 nan 8.270 nan 0.000 0.422 402 P HA -0.186 nan 4.420 nan 0.000 0.215 402 P C 0.970 178.147 177.300 -0.206 0.000 1.157 402 P CA 1.001 64.098 63.100 -0.005 0.000 0.863 402 P CB -0.149 31.672 31.700 0.201 0.000 0.787 403 F N 1.971 121.633 119.950 -0.480 0.000 2.102 403 F HA -0.184 4.343 4.527 0.000 0.000 0.298 403 F C 2.076 177.561 175.800 -0.525 0.000 1.105 403 F CA 1.683 59.148 58.000 -0.891 0.000 1.239 403 F CB -0.865 37.561 39.000 -0.956 0.000 0.991 403 F HN -0.031 nan 8.300 nan 0.000 0.474 404 E N 0.226 120.053 120.200 -0.621 0.000 2.268 404 E HA -0.199 4.151 4.350 0.001 0.000 0.195 404 E C 2.232 178.572 176.600 -0.432 0.000 0.995 404 E CA 0.812 56.841 56.400 -0.618 0.000 0.836 404 E CB -0.468 29.072 29.700 -0.267 0.000 0.763 404 E HN 0.472 nan 8.360 nan 0.000 0.491 405 R N 0.832 121.123 120.500 -0.350 0.000 2.061 405 R HA -0.099 4.241 4.340 0.001 0.000 0.230 405 R C 2.811 178.911 176.300 -0.334 0.000 1.140 405 R CA 1.768 57.714 56.100 -0.257 0.000 0.940 405 R CB -0.607 29.584 30.300 -0.181 0.000 0.839 405 R HN 0.297 nan 8.270 nan 0.000 0.429 406 V N -1.436 118.177 119.914 -0.502 0.000 2.490 406 V HA -0.265 3.855 4.120 0.001 0.000 0.250 406 V C 2.009 177.732 176.094 -0.618 0.000 1.061 406 V CA 1.598 63.513 62.300 -0.640 0.000 1.064 406 V CB -1.158 29.951 31.823 -1.190 0.000 0.670 406 V HN 0.290 nan 8.190 nan 0.000 0.461 407 Y N 2.832 122.607 120.300 -0.874 0.000 2.151 407 Y HA 0.234 4.785 4.550 0.001 0.000 0.284 407 Y C 1.455 177.123 175.900 -0.387 0.000 1.166 407 Y CA 1.991 59.682 58.100 -0.681 0.000 1.163 407 Y CB -0.512 37.374 38.460 -0.957 0.000 0.974 407 Y HN 0.745 nan 8.280 nan 0.000 0.511 408 G N -0.400 108.318 108.800 -0.137 0.000 2.497 408 G HA2 -0.223 3.738 3.960 0.001 0.000 0.686 408 G HA3 -0.223 3.738 3.960 0.001 0.000 0.686 408 G C -0.136 174.752 174.900 -0.020 0.000 1.288 408 G CA -0.096 44.936 45.100 -0.113 0.000 0.899 408 G HN 0.315 nan 8.290 nan 0.000 0.608 409 E N -0.852 119.319 120.200 -0.047 0.000 2.472 409 E HA 0.148 4.498 4.350 0.001 0.000 0.196 409 E C 0.412 176.993 176.600 -0.032 0.000 1.033 409 E CA 0.293 56.665 56.400 -0.047 0.000 0.886 409 E CB 0.200 29.874 29.700 -0.043 0.000 0.944 409 E HN 0.461 nan 8.360 nan 0.000 0.492 410 D N 0.723 121.110 120.400 -0.021 0.000 2.317 410 D HA 0.025 4.665 4.640 0.001 0.000 0.252 410 D C -1.482 174.830 176.300 0.020 0.000 1.174 410 D CA -2.157 51.840 54.000 -0.005 0.000 0.866 410 D CB 1.362 42.153 40.800 -0.016 0.000 1.127 410 D HN -0.067 nan 8.370 nan 0.000 0.467 411 P HA -0.150 nan 4.420 nan 0.000 0.228 411 P C 0.283 177.508 177.300 -0.124 0.000 1.151 411 P CA 1.005 64.076 63.100 -0.049 0.000 0.770 411 P CB 0.204 31.823 31.700 -0.134 0.000 0.786 412 H N -0.800 118.268 119.070 -0.002 0.000 2.520 412 H HA 0.247 4.803 4.556 0.001 0.000 0.284 412 H C 1.226 176.301 175.328 -0.422 0.000 1.037 412 H CA 0.581 56.582 56.048 -0.079 0.000 1.168 412 H CB -0.128 29.624 29.762 -0.018 0.000 1.497 412 H HN 0.155 nan 8.280 nan 0.000 0.547 413 G N 1.750 110.336 108.800 -0.356 0.000 2.305 413 G HA2 -0.266 3.694 3.960 0.001 0.000 0.287 413 G HA3 -0.266 3.694 3.960 0.001 0.000 0.287 413 G C 0.795 175.491 174.900 -0.339 0.000 1.036 413 G CA 0.408 45.145 45.100 -0.604 0.000 0.887 413 G HN 0.456 nan 8.290 nan 0.000 0.505 414 L N -0.040 121.083 121.223 -0.166 0.000 2.693 414 L HA 0.211 4.551 4.340 0.001 0.000 0.235 414 L C 1.338 178.156 176.870 -0.085 0.000 1.127 414 L CA -0.087 54.705 54.840 -0.079 0.000 0.914 414 L CB 0.255 42.298 42.059 -0.026 0.000 1.193 414 L HN 0.228 nan 8.230 nan 0.000 0.502 415 S N 1.799 117.424 115.700 -0.126 0.000 2.572 415 S HA 0.161 4.631 4.470 0.001 0.000 0.279 415 S C -2.031 172.496 174.600 -0.123 0.000 1.341 415 S CA -0.827 57.308 58.200 -0.108 0.000 1.043 415 S CB 0.361 63.491 63.200 -0.118 0.000 0.887 415 S HN 0.085 nan 8.310 nan 0.000 0.516 416 P HA 0.121 nan 4.420 nan 0.000 0.265 416 P C -0.757 176.471 177.300 -0.120 0.000 1.193 416 P CA 0.182 63.240 63.100 -0.070 0.000 0.765 416 P CB 0.420 32.101 31.700 -0.033 0.000 0.823 417 R N 1.194 121.605 120.500 -0.150 0.000 2.744 417 R HA 0.695 5.036 4.340 0.001 0.000 0.279 417 R C -0.355 175.905 176.300 -0.067 0.000 0.977 417 R CA -0.672 55.264 56.100 -0.273 0.000 0.906 417 R CB 2.244 32.004 30.300 -0.900 0.000 1.197 417 R HN 0.500 nan 8.270 nan 0.000 0.463 418 T N -1.450 113.144 114.554 0.067 0.000 3.011 418 T HA 0.280 4.631 4.350 0.001 0.000 0.303 418 T C -0.395 174.534 174.700 0.382 0.000 0.997 418 T CA -1.096 61.155 62.100 0.252 0.000 1.007 418 T CB 1.410 70.379 68.868 0.167 0.000 1.017 418 T HN 0.463 nan 8.240 nan 0.000 0.443 419 E N 1.305 121.759 120.200 0.423 0.000 2.534 419 E HA 0.396 4.746 4.350 0.001 0.000 0.264 419 E C 0.631 177.342 176.600 0.186 0.000 0.981 419 E CA 0.622 57.186 56.400 0.274 0.000 0.948 419 E CB 0.168 29.835 29.700 -0.055 0.000 0.934 419 E HN 1.230 nan 8.360 nan 0.000 0.459 420 G N 2.227 111.049 108.800 0.036 0.000 2.492 420 G HA2 0.148 4.108 3.960 0.001 0.000 0.283 420 G HA3 0.148 4.108 3.960 0.001 0.000 0.283 420 G C -1.231 173.283 174.900 -0.644 0.000 1.274 420 G CA -0.658 44.144 45.100 -0.497 0.000 1.215 420 G HN 0.428 nan 8.290 nan 0.000 0.598 421 E N 1.728 121.250 120.200 -1.129 0.000 2.349 421 E HA 0.538 4.889 4.350 0.001 0.000 0.290 421 E C -0.857 175.382 176.600 -0.601 0.000 0.901 421 E CA -0.982 55.130 56.400 -0.480 0.000 0.800 421 E CB 0.608 30.315 29.700 0.012 0.000 1.303 421 E HN 0.422 nan 8.360 nan 0.000 0.397 422 W N 4.345 125.730 121.300 0.141 0.000 1.689 422 W HA 0.404 5.064 4.660 0.000 0.000 0.294 422 W C -0.200 176.386 176.519 0.112 0.000 0.824 422 W CA -0.755 56.664 57.345 0.123 0.000 2.398 422 W CB 0.826 30.338 29.460 0.086 0.000 2.375 422 W HN 0.334 nan 8.180 nan 0.000 0.478 423 S N -0.163 115.690 115.700 0.254 0.000 2.671 423 S HA 0.391 4.862 4.470 0.001 0.000 0.272 423 S C 0.157 174.859 174.600 0.170 0.000 1.174 423 S CA -0.276 57.977 58.200 0.087 0.000 1.004 423 S CB 0.484 63.665 63.200 -0.031 0.000 1.077 423 S HN 0.270 nan 8.310 nan 0.000 0.553 424 F N 1.448 121.513 119.950 0.191 0.000 2.925 424 F HA -0.223 4.304 4.527 -0.000 0.000 0.239 424 F C 0.609 176.492 175.800 0.139 0.000 1.009 424 F CA 0.266 58.366 58.000 0.167 0.000 0.847 424 F CB -2.147 36.968 39.000 0.192 0.000 0.719 424 F HN 0.545 nan 8.300 nan 0.000 0.826 425 N N -2.153 116.664 118.700 0.195 0.000 2.714 425 N HA -0.238 4.502 4.740 0.001 0.000 0.253 425 N C 1.113 176.747 175.510 0.206 0.000 1.024 425 N CA 0.773 53.928 53.050 0.176 0.000 0.726 425 N CB -0.936 37.637 38.487 0.144 0.000 0.908 425 N HN 0.690 nan 8.380 nan 0.000 0.542 426 A N 0.129 123.106 122.820 0.261 0.000 1.968 426 A HA -0.112 4.208 4.320 0.001 0.000 0.217 426 A C 1.934 179.702 177.584 0.307 0.000 1.169 426 A CA 1.473 53.681 52.037 0.284 0.000 0.638 426 A CB -0.058 19.141 19.000 0.331 0.000 0.812 426 A HN 0.517 nan 8.150 nan 0.000 0.446 427 E N 0.326 120.703 120.200 0.295 0.000 2.274 427 E HA -0.111 4.240 4.350 0.001 0.000 0.194 427 E C 1.169 177.860 176.600 0.152 0.000 0.996 427 E CA 1.153 57.684 56.400 0.218 0.000 0.840 427 E CB -0.060 29.717 29.700 0.129 0.000 0.772 427 E HN 0.746 nan 8.360 nan 0.000 0.491 428 E N 0.383 120.665 120.200 0.136 0.000 2.463 428 E HA 0.078 4.428 4.350 0.001 0.000 0.193 428 E C -0.247 176.411 176.600 0.097 0.000 1.041 428 E CA 0.040 56.501 56.400 0.101 0.000 0.879 428 E CB 0.615 30.366 29.700 0.085 0.000 0.997 428 E HN 0.004 nan 8.360 nan 0.000 0.478 429 T N 1.377 116.001 114.554 0.116 0.000 2.882 429 T HA 0.172 4.522 4.350 0.001 0.000 0.287 429 T C 0.011 174.765 174.700 0.089 0.000 0.992 429 T CA -0.550 61.605 62.100 0.092 0.000 1.076 429 T CB 1.304 70.225 68.868 0.088 0.000 0.961 429 T HN -0.086 nan 8.240 nan 0.000 0.490 430 E N 1.859 122.098 120.200 0.065 0.000 2.324 430 E HA 0.234 4.585 4.350 0.001 0.000 0.271 430 E C -0.559 176.086 176.600 0.074 0.000 1.028 430 E CA -0.033 56.406 56.400 0.065 0.000 0.890 430 E CB 0.424 30.152 29.700 0.047 0.000 1.004 430 E HN 0.290 nan 8.360 nan 0.000 0.431 431 V N 3.258 123.232 119.914 0.099 0.000 2.498 431 V HA 0.436 4.557 4.120 0.001 0.000 0.279 431 V C 0.469 176.630 176.094 0.112 0.000 1.048 431 V CA -0.630 61.749 62.300 0.131 0.000 0.967 431 V CB 1.180 33.099 31.823 0.160 0.000 0.988 431 V HN 0.785 nan 8.190 nan 0.000 0.473 432 A N 3.237 126.131 122.820 0.124 0.000 2.302 432 A HA 0.461 4.782 4.320 0.001 0.000 0.285 432 A C -0.003 177.656 177.584 0.124 0.000 1.105 432 A CA -0.366 51.735 52.037 0.107 0.000 0.816 432 A CB 0.425 19.484 19.000 0.097 0.000 1.067 432 A HN 0.818 nan 8.150 nan 0.000 0.489 433 D N 1.072 121.531 120.400 0.097 0.000 2.456 433 D HA 0.474 5.114 4.640 0.001 0.000 0.219 433 D C -0.250 176.109 176.300 0.099 0.000 1.126 433 D CA 0.370 54.427 54.000 0.094 0.000 0.890 433 D CB 0.088 40.930 40.800 0.070 0.000 1.025 433 D HN 0.580 nan 8.370 nan 0.000 0.511 434 S N 1.737 117.515 115.700 0.129 0.000 2.656 434 S HA 0.291 4.762 4.470 0.001 0.000 0.273 434 S C 0.895 175.607 174.600 0.187 0.000 1.168 434 S CA -0.809 57.476 58.200 0.143 0.000 0.817 434 S CB 1.428 64.720 63.200 0.153 0.000 1.146 434 S HN 0.083 nan 8.310 nan 0.000 0.475 435 E N 1.359 121.692 120.200 0.221 0.000 2.147 435 E HA -0.204 4.146 4.350 0.001 0.000 0.199 435 E C 1.864 178.726 176.600 0.436 0.000 1.005 435 E CA 2.200 58.801 56.400 0.334 0.000 0.810 435 E CB -0.213 29.698 29.700 0.352 0.000 0.736 435 E HN 0.690 nan 8.360 nan 0.000 0.460 436 E N 0.003 120.461 120.200 0.430 0.000 2.085 436 E HA -0.193 4.157 4.350 0.001 0.000 0.194 436 E C 1.116 177.754 176.600 0.063 0.000 0.994 436 E CA 0.995 57.522 56.400 0.212 0.000 0.801 436 E CB -0.365 29.500 29.700 0.274 0.000 0.743 436 E HN 0.260 nan 8.360 nan 0.000 0.453 437 N N 1.191 119.968 118.700 0.129 0.000 2.322 437 N HA 0.014 4.754 4.740 0.001 0.000 0.194 437 N C -0.007 175.533 175.510 0.051 0.000 1.126 437 N CA 0.077 53.170 53.050 0.071 0.000 0.845 437 N CB 0.350 38.922 38.487 0.141 0.000 0.976 437 N HN 0.156 nan 8.380 nan 0.000 0.475 438 K N 1.563 122.004 120.400 0.068 0.000 2.412 438 K HA 0.013 4.333 4.320 0.001 0.000 0.281 438 K C 0.238 176.849 176.600 0.017 0.000 1.027 438 K CA 0.071 56.396 56.287 0.064 0.000 0.989 438 K CB 0.214 32.781 32.500 0.112 0.000 0.935 438 K HN 0.074 nan 8.250 nan 0.000 0.475 439 N N 1.772 120.482 118.700 0.018 0.000 2.741 439 N HA -0.157 4.583 4.740 0.001 0.000 0.250 439 N C -1.229 174.266 175.510 -0.025 0.000 1.115 439 N CA 1.358 54.407 53.050 -0.001 0.000 0.724 439 N CB -1.345 37.139 38.487 -0.006 0.000 1.090 439 N HN 0.584 nan 8.380 nan 0.000 0.558 440 T N 1.435 115.977 114.554 -0.020 0.000 2.797 440 T HA 0.219 4.569 4.350 0.001 0.000 0.279 440 T C 0.211 174.919 174.700 0.014 0.000 0.991 440 T CA -0.859 61.220 62.100 -0.035 0.000 0.979 440 T CB 1.856 70.682 68.868 -0.069 0.000 0.943 440 T HN 0.106 nan 8.240 nan 0.000 0.444 441 D N 2.722 123.137 120.400 0.026 0.000 2.368 441 D HA 0.009 4.650 4.640 0.001 0.000 0.240 441 D C 1.044 177.407 176.300 0.104 0.000 1.169 441 D CA -0.372 53.665 54.000 0.061 0.000 0.906 441 D CB 1.167 42.008 40.800 0.068 0.000 1.187 441 D HN 0.548 nan 8.370 nan 0.000 0.435 442 Q N -0.106 119.758 119.800 0.106 0.000 2.118 442 Q HA -0.310 4.031 4.340 0.001 0.000 0.211 442 Q C 1.811 177.943 176.000 0.220 0.000 0.998 442 Q CA 1.851 57.735 55.803 0.134 0.000 0.872 442 Q CB -0.460 28.333 28.738 0.091 0.000 0.925 442 Q HN 0.605 nan 8.270 nan 0.000 0.414 443 H N 0.266 119.391 119.070 0.091 0.000 2.326 443 H HA -0.072 4.484 4.556 0.001 0.000 0.301 443 H C 1.818 177.392 175.328 0.410 0.000 1.081 443 H CA 1.292 57.418 56.048 0.130 0.000 1.334 443 H CB -0.191 29.582 29.762 0.019 0.000 1.385 443 H HN 0.108 nan 8.280 nan 0.000 0.504 444 L N 0.084 121.498 121.223 0.317 0.000 2.093 444 L HA 0.003 4.344 4.340 0.001 0.000 0.208 444 L C 2.404 179.372 176.870 0.164 0.000 1.085 444 L CA 1.521 56.485 54.840 0.207 0.000 0.755 444 L CB -0.832 41.254 42.059 0.045 0.000 0.904 444 L HN 0.337 nan 8.230 nan 0.000 0.435 445 A N -1.740 121.185 122.820 0.174 0.000 2.225 445 A HA -0.143 4.177 4.320 0.001 0.000 0.215 445 A C 1.913 179.725 177.584 0.380 0.000 1.164 445 A CA 1.749 53.918 52.037 0.219 0.000 0.710 445 A CB -0.964 18.146 19.000 0.183 0.000 0.780 445 A HN 0.553 nan 8.150 nan 0.000 0.473 446 T N -4.147 110.653 114.554 0.410 0.000 3.040 446 T HA 0.305 4.656 4.350 0.001 0.000 0.266 446 T C 0.644 175.613 174.700 0.449 0.000 1.005 446 T CA 0.428 62.791 62.100 0.439 0.000 0.906 446 T CB -0.117 69.004 68.868 0.422 0.000 1.082 446 T HN 0.173 nan 8.240 nan 0.000 0.531 447 S N 0.891 116.781 115.700 0.317 0.000 2.565 447 S HA 0.310 4.781 4.470 0.001 0.000 0.276 447 S C 1.191 175.883 174.600 0.154 0.000 1.326 447 S CA -0.702 57.354 58.200 -0.240 0.000 1.045 447 S CB 0.685 63.608 63.200 -0.462 0.000 0.918 447 S HN 0.418 nan 8.310 nan 0.000 0.505 448 R N 2.478 122.948 120.500 -0.050 0.000 2.275 448 R HA 0.097 4.437 4.340 0.001 0.000 0.199 448 R C 0.086 176.469 176.300 0.138 0.000 0.989 448 R CA 0.265 56.327 56.100 -0.063 0.000 1.016 448 R CB 0.305 30.366 30.300 -0.399 0.000 0.918 448 R HN 0.702 nan 8.270 nan 0.000 0.473 449 W N 1.896 123.196 121.300 -0.001 0.000 2.336 449 W HA 0.389 5.049 4.660 0.001 0.000 0.315 449 W C -1.066 175.526 176.519 0.121 0.000 1.016 449 W CA -0.707 56.770 57.345 0.220 0.000 1.318 449 W CB 0.729 30.337 29.460 0.247 0.000 1.247 449 W HN -0.141 nan 8.180 nan 0.000 0.414 450 R N 4.012 124.421 120.500 -0.152 0.000 2.740 450 R HA 0.338 4.678 4.340 0.001 0.000 0.273 450 R C -0.864 174.729 176.300 -1.179 0.000 0.998 450 R CA -0.971 54.653 56.100 -0.792 0.000 0.900 450 R CB 3.326 32.860 30.300 -1.276 0.000 1.223 450 R HN 0.431 nan 8.270 nan 0.000 0.466 451 K N 1.281 120.651 120.400 -1.717 0.000 2.203 451 K HA 0.590 4.910 4.320 0.001 0.000 0.251 451 K C -1.224 174.347 176.600 -1.715 0.000 0.944 451 K CA -0.547 54.627 56.287 -1.854 0.000 0.829 451 K CB 1.339 32.366 32.500 -2.455 0.000 1.125 451 K HN 0.248 nan 8.250 nan 0.000 0.430 452 F N 0.529 120.067 119.950 -0.687 0.000 2.569 452 F HA 0.254 4.782 4.527 0.001 0.000 0.312 452 F C 0.143 175.808 175.800 -0.225 0.000 1.109 452 F CA -0.868 56.846 58.000 -0.477 0.000 0.919 452 F CB 2.329 41.115 39.000 -0.356 0.000 1.211 452 F HN 0.727 nan 8.300 nan 0.000 0.446 453 S N 1.277 116.996 115.700 0.032 0.000 2.603 453 S HA 0.345 4.815 4.470 0.001 0.000 0.268 453 S C 1.161 175.875 174.600 0.189 0.000 1.317 453 S CA -0.620 57.629 58.200 0.081 0.000 1.012 453 S CB 1.586 64.823 63.200 0.061 0.000 0.926 453 S HN 0.763 nan 8.310 nan 0.000 0.539 454 R N 0.714 121.288 120.500 0.123 0.000 2.081 454 R HA -0.041 4.299 4.340 0.001 0.000 0.235 454 R C 2.081 178.440 176.300 0.098 0.000 1.131 454 R CA 1.678 57.842 56.100 0.108 0.000 0.960 454 R CB -0.706 29.643 30.300 0.082 0.000 0.856 454 R HN 0.801 nan 8.270 nan 0.000 0.436 455 E N -0.755 119.505 120.200 0.100 0.000 2.110 455 E HA -0.199 4.152 4.350 0.001 0.000 0.193 455 E C 1.542 178.196 176.600 0.091 0.000 0.988 455 E CA 1.087 57.532 56.400 0.075 0.000 0.804 455 E CB -0.350 29.393 29.700 0.072 0.000 0.745 455 E HN 0.451 nan 8.360 nan 0.000 0.458 456 W N 1.270 122.570 121.300 0.001 0.000 2.378 456 W HA -0.113 4.547 4.660 0.001 0.000 0.313 456 W C 2.053 178.573 176.519 0.001 0.000 1.197 456 W CA 1.493 58.843 57.345 0.008 0.000 1.304 456 W CB -0.492 28.986 29.460 0.031 0.000 1.148 456 W HN -0.059 nan 8.180 nan 0.000 0.494 457 I N 0.531 121.155 120.570 0.089 0.000 2.264 457 I HA -0.355 3.815 4.170 0.001 0.000 0.248 457 I C 2.705 178.690 176.117 -0.220 0.000 1.111 457 I CA 1.855 63.079 61.300 -0.127 0.000 1.382 457 I CB -0.793 37.245 38.000 0.064 0.000 1.060 457 I HN 0.057 nan 8.210 nan 0.000 0.418 458 R N 0.543 120.970 120.500 -0.122 0.000 2.070 458 R HA -0.151 4.190 4.340 0.001 0.000 0.233 458 R C 2.256 178.455 176.300 -0.168 0.000 1.137 458 R CA 2.236 58.267 56.100 -0.114 0.000 0.945 458 R CB -0.295 29.971 30.300 -0.056 0.000 0.845 458 R HN 0.250 nan 8.270 nan 0.000 0.430 459 T N 0.630 115.067 114.554 -0.195 0.000 2.612 459 T HA -0.023 4.327 4.350 0.001 0.000 0.251 459 T C 1.830 176.343 174.700 -0.313 0.000 1.090 459 T CA 1.262 63.239 62.100 -0.206 0.000 1.198 459 T CB -0.609 68.166 68.868 -0.154 0.000 0.878 459 T HN 0.460 nan 8.240 nan 0.000 0.401 460 A N 1.788 124.289 122.820 -0.532 0.000 1.859 460 A HA -0.148 4.173 4.320 0.001 0.000 0.217 460 A C 2.158 179.406 177.584 -0.560 0.000 1.198 460 A CA 1.570 53.234 52.037 -0.621 0.000 0.629 460 A CB -0.428 17.890 19.000 -1.136 0.000 0.830 460 A HN 0.244 nan 8.150 nan 0.000 0.446 461 K N 0.079 120.040 120.400 -0.731 0.000 2.487 461 K HA 0.115 4.436 4.320 0.001 0.000 0.192 461 K C 0.347 176.791 176.600 -0.259 0.000 1.027 461 K CA 0.719 56.732 56.287 -0.456 0.000 1.054 461 K CB -0.103 32.108 32.500 -0.481 0.000 0.824 461 K HN 0.451 nan 8.250 nan 0.000 0.510 462 S N 2.219 117.776 115.700 -0.239 0.000 3.614 462 S HA -0.144 4.326 4.470 0.001 0.000 0.360 462 S C -0.651 173.873 174.600 -0.126 0.000 1.023 462 S CA 0.874 58.982 58.200 -0.153 0.000 1.114 462 S CB -1.283 61.846 63.200 -0.119 0.000 0.907 462 S HN 0.452 nan 8.310 nan 0.000 0.470 463 D N -0.220 120.099 120.400 -0.135 0.000 2.746 463 D HA -0.133 4.507 4.640 0.001 0.000 0.241 463 D C -0.102 176.148 176.300 -0.083 0.000 1.140 463 D CA 1.587 55.528 54.000 -0.099 0.000 0.707 463 D CB -1.225 39.523 40.800 -0.085 0.000 1.034 463 D HN 0.650 nan 8.370 nan 0.000 0.423 464 S N -0.307 115.342 115.700 -0.085 0.000 2.521 464 S HA 0.640 5.110 4.470 0.001 0.000 0.295 464 S C 0.629 175.210 174.600 -0.031 0.000 1.098 464 S CA -0.810 57.364 58.200 -0.044 0.000 0.999 464 S CB 1.254 64.439 63.200 -0.026 0.000 1.034 464 S HN 0.229 nan 8.310 nan 0.000 0.483 465 L N 2.783 124.000 121.223 -0.010 0.000 2.700 465 L HA 0.344 4.685 4.340 0.001 0.000 0.234 465 L C 0.387 177.275 176.870 0.029 0.000 1.156 465 L CA -0.034 54.810 54.840 0.007 0.000 0.946 465 L CB 0.036 42.096 42.059 0.001 0.000 1.216 465 L HN 0.586 nan 8.230 nan 0.000 0.493 466 D N 1.764 122.196 120.400 0.054 0.000 2.688 466 D HA 0.156 4.796 4.640 0.001 0.000 0.228 466 D C 0.175 176.514 176.300 0.065 0.000 1.116 466 D CA -0.025 54.033 54.000 0.096 0.000 1.023 466 D CB -0.174 40.752 40.800 0.211 0.000 1.100 466 D HN 0.164 nan 8.370 nan 0.000 0.487 467 I N 1.154 121.751 120.570 0.045 0.000 2.352 467 I HA 0.171 4.341 4.170 0.001 0.000 0.290 467 I C 0.393 176.569 176.117 0.098 0.000 1.036 467 I CA -0.305 61.011 61.300 0.027 0.000 1.336 467 I CB 1.152 39.061 38.000 -0.152 0.000 1.407 467 I HN 0.071 nan 8.210 nan 0.000 0.497 468 S N 6.246 122.033 115.700 0.144 0.000 2.536 468 S HA 0.544 5.015 4.470 0.001 0.000 0.271 468 S C -1.002 173.742 174.600 0.241 0.000 1.134 468 S CA -0.662 57.578 58.200 0.067 0.000 0.897 468 S CB 0.999 64.184 63.200 -0.026 0.000 1.094 468 S HN 0.658 nan 8.310 nan 0.000 0.473 469 W N 4.591 125.919 121.300 0.047 0.000 1.578 469 W HA 0.636 5.297 4.660 0.001 0.000 0.264 469 W C -1.605 174.954 176.519 0.065 0.000 0.867 469 W CA -0.711 56.675 57.345 0.069 0.000 1.833 469 W CB -0.140 29.383 29.460 0.104 0.000 1.008 469 W HN 0.365 nan 8.180 nan 0.000 0.460 470 L N 2.351 123.441 121.223 -0.221 0.000 2.436 470 L HA 0.507 4.847 4.340 0.001 0.000 0.268 470 L C -0.178 176.643 176.870 -0.083 0.000 0.974 470 L CA -1.081 53.662 54.840 -0.161 0.000 0.826 470 L CB 2.532 44.405 42.059 -0.310 0.000 1.291 470 L HN -0.135 nan 8.230 nan 0.000 0.406 471 K N 1.849 122.238 120.400 -0.017 0.000 2.156 471 K HA 0.264 4.584 4.320 0.001 0.000 0.271 471 K C -0.871 175.723 176.600 -0.010 0.000 0.995 471 K CA -0.671 55.612 56.287 -0.007 0.000 0.890 471 K CB 1.553 34.064 32.500 0.019 0.000 1.073 471 K HN 0.479 nan 8.250 nan 0.000 0.454 472 D N 2.324 122.715 120.400 -0.015 0.000 2.329 472 D HA 0.090 4.730 4.640 0.001 0.000 0.246 472 D C -0.316 175.985 176.300 0.002 0.000 1.111 472 D CA -0.078 53.916 54.000 -0.010 0.000 0.941 472 D CB 0.970 41.760 40.800 -0.017 0.000 1.169 472 D HN 0.280 nan 8.370 nan 0.000 0.441 473 K N 1.384 121.788 120.400 0.007 0.000 2.397 473 K HA 0.010 4.330 4.320 0.001 0.000 0.265 473 K C 0.221 176.826 176.600 0.007 0.000 0.982 473 K CA -0.084 56.210 56.287 0.011 0.000 0.931 473 K CB 0.478 32.986 32.500 0.013 0.000 0.943 473 K HN 0.362 nan 8.250 nan 0.000 0.501 483 E N -0.666 119.550 120.200 0.027 0.000 2.649 483 E HA 0.356 4.706 4.350 0.001 0.000 0.308 483 E C -2.590 174.024 176.600 0.025 0.000 1.017 483 E CA -0.907 55.506 56.400 0.021 0.000 0.848 483 E CB 1.440 31.143 29.700 0.006 0.000 1.240 483 E HN 0.016 nan 8.360 nan 0.000 0.421 484 P HA -0.210 nan 4.420 nan 0.000 0.212 484 P C 0.769 178.066 177.300 -0.006 0.000 1.174 484 P CA 2.150 65.282 63.100 0.055 0.000 0.934 484 P CB 0.065 31.794 31.700 0.048 0.000 0.791 485 D N -0.790 119.606 120.400 -0.007 0.000 2.311 485 D HA -0.111 4.530 4.640 0.001 0.000 0.212 485 D C 1.623 177.886 176.300 -0.061 0.000 0.972 485 D CA 1.162 55.148 54.000 -0.023 0.000 0.887 485 D CB -0.699 40.113 40.800 0.019 0.000 0.915 485 D HN 0.094 nan 8.370 nan 0.000 0.497 486 V N 0.738 120.617 119.914 -0.059 0.000 2.500 486 V HA -0.084 4.037 4.120 0.001 0.000 0.243 486 V C 2.753 178.763 176.094 -0.140 0.000 1.039 486 V CA 0.521 62.776 62.300 -0.076 0.000 1.053 486 V CB -0.255 31.542 31.823 -0.042 0.000 0.695 486 V HN 0.153 nan 8.190 nan 0.000 0.463 487 L N 0.270 121.401 121.223 -0.153 0.000 2.056 487 L HA -0.091 4.249 4.340 0.001 0.000 0.207 487 L C 2.758 179.249 176.870 -0.632 0.000 1.078 487 L CA 1.495 56.159 54.840 -0.293 0.000 0.749 487 L CB -0.783 41.217 42.059 -0.099 0.000 0.901 487 L HN 0.361 nan 8.230 nan 0.000 0.433 488 A N 0.238 122.724 122.820 -0.557 0.000 1.902 488 A HA -0.195 4.126 4.320 0.001 0.000 0.217 488 A C 2.547 179.852 177.584 -0.466 0.000 1.181 488 A CA 1.827 53.465 52.037 -0.666 0.000 0.623 488 A CB -0.701 18.079 19.000 -0.365 0.000 0.818 488 A HN 0.402 nan 8.150 nan 0.000 0.443 489 A N 0.888 123.528 122.820 -0.300 0.000 1.865 489 A HA -0.225 4.095 4.320 0.001 0.000 0.217 489 A C 1.998 179.456 177.584 -0.210 0.000 1.191 489 A CA 1.909 53.821 52.037 -0.208 0.000 0.623 489 A CB -0.831 18.091 19.000 -0.130 0.000 0.826 489 A HN 0.777 nan 8.150 nan 0.000 0.444 490 E N 0.519 120.585 120.200 -0.222 0.000 2.110 490 E HA 0.076 4.426 4.350 0.001 0.000 0.193 490 E C 1.368 177.831 176.600 -0.227 0.000 0.988 490 E CA 0.587 56.875 56.400 -0.187 0.000 0.804 490 E CB -0.693 28.909 29.700 -0.164 0.000 0.745 490 E HN 0.565 nan 8.360 nan 0.000 0.458 494 E N 0.809 120.976 120.200 -0.054 0.000 2.047 494 E HA 0.072 4.423 4.350 0.001 0.000 0.191 494 E C 2.452 179.043 176.600 -0.015 0.000 0.987 494 E CA 0.993 57.376 56.400 -0.028 0.000 0.799 494 E CB -0.128 29.558 29.700 -0.024 0.000 0.752 494 E HN 0.431 nan 8.360 nan 0.000 0.449 495 L N 0.585 121.796 121.223 -0.020 0.000 2.042 495 L HA -0.216 4.124 4.340 0.001 0.000 0.210 495 L C 2.451 179.319 176.870 -0.004 0.000 1.076 495 L CA 0.814 55.652 54.840 -0.003 0.000 0.749 495 L CB -0.567 41.488 42.059 -0.006 0.000 0.893 495 L HN 0.068 nan 8.230 nan 0.000 0.432 496 V N -0.547 119.359 119.914 -0.014 0.000 2.343 496 V HA -0.306 3.814 4.120 0.001 0.000 0.247 496 V C 2.484 178.570 176.094 -0.013 0.000 1.051 496 V CA 1.893 64.184 62.300 -0.014 0.000 1.036 496 V CB -0.471 31.339 31.823 -0.021 0.000 0.654 496 V HN 0.441 nan 8.190 nan 0.000 0.451 497 Q N 0.606 120.399 119.800 -0.011 0.000 2.020 497 Q HA -0.144 4.197 4.340 0.001 0.000 0.202 497 Q C 2.184 178.185 176.000 0.002 0.000 0.982 497 Q CA 2.350 58.149 55.803 -0.006 0.000 0.838 497 Q CB -0.678 28.057 28.738 -0.005 0.000 0.899 497 Q HN 0.571 nan 8.270 nan 0.000 0.423 498 A N 0.220 123.045 122.820 0.008 0.000 1.883 498 A HA -0.165 4.156 4.320 0.001 0.000 0.217 498 A C 2.181 179.769 177.584 0.008 0.000 1.186 498 A CA 1.564 53.612 52.037 0.018 0.000 0.624 498 A CB -0.962 18.055 19.000 0.028 0.000 0.822 498 A HN 0.468 nan 8.150 nan 0.000 0.444 499 L N -0.266 120.957 121.223 0.001 0.000 2.079 499 L HA -0.221 4.120 4.340 0.001 0.000 0.210 499 L C 2.905 179.765 176.870 -0.017 0.000 1.081 499 L CA 1.555 56.390 54.840 -0.008 0.000 0.752 499 L CB -0.446 41.610 42.059 -0.005 0.000 0.896 499 L HN 0.374 nan 8.230 nan 0.000 0.433 500 S N -0.350 115.341 115.700 -0.014 0.000 2.343 500 S HA -0.211 4.259 4.470 0.001 0.000 0.219 500 S C 1.794 176.385 174.600 -0.016 0.000 1.033 500 S CA 1.431 59.621 58.200 -0.017 0.000 1.014 500 S CB -0.247 62.944 63.200 -0.014 0.000 0.915 500 S HN 0.437 nan 8.310 nan 0.000 0.435 501 E N 0.811 121.008 120.200 -0.006 0.000 2.070 501 E HA -0.195 4.155 4.350 0.001 0.000 0.197 501 E C 2.084 178.674 176.600 -0.015 0.000 1.004 501 E CA 1.184 57.586 56.400 0.003 0.000 0.805 501 E CB -0.317 29.396 29.700 0.022 0.000 0.744 501 E HN 0.226 nan 8.360 nan 0.000 0.451 502 L N 1.534 122.736 121.223 -0.034 0.000 2.079 502 L HA -0.215 4.125 4.340 0.001 0.000 0.210 502 L C 1.901 178.695 176.870 -0.126 0.000 1.081 502 L CA 1.904 56.679 54.840 -0.108 0.000 0.752 502 L CB -0.428 41.566 42.059 -0.108 0.000 0.896 502 L HN 0.097 nan 8.230 nan 0.000 0.433 503 D N -0.584 119.774 120.400 -0.070 0.000 2.097 503 D HA -0.185 4.456 4.640 0.001 0.000 0.195 503 D C 2.095 178.364 176.300 -0.051 0.000 0.989 503 D CA 1.338 55.305 54.000 -0.056 0.000 0.827 503 D CB 0.177 40.956 40.800 -0.036 0.000 0.966 503 D HN 0.444 nan 8.370 nan 0.000 0.456 504 A N 1.277 124.075 122.820 -0.036 0.000 1.884 504 A HA -0.162 4.159 4.320 0.001 0.000 0.219 504 A C 1.730 179.302 177.584 -0.019 0.000 1.197 504 A CA 0.945 52.971 52.037 -0.020 0.000 0.637 504 A CB -1.000 17.997 19.000 -0.005 0.000 0.827 504 A HN 0.347 nan 8.150 nan 0.000 0.450 508 E N 1.333 121.525 120.200 -0.013 0.000 2.437 508 E HA 0.108 4.459 4.350 0.001 0.000 0.195 508 E C -0.452 176.149 176.600 0.001 0.000 1.029 508 E CA -0.175 56.222 56.400 -0.004 0.000 0.948 508 E CB 0.453 30.155 29.700 0.004 0.000 1.082 508 E HN 0.085 nan 8.360 nan 0.000 0.456 509 L N 1.264 122.483 121.223 -0.007 0.000 2.648 509 L HA 0.324 4.665 4.340 0.001 0.000 0.238 509 L C 0.328 177.183 176.870 -0.025 0.000 1.316 509 L CA -0.135 54.702 54.840 -0.005 0.000 1.241 509 L CB 0.158 42.213 42.059 -0.007 0.000 1.499 509 L HN -0.009 nan 8.230 nan 0.000 0.411 510 G N 2.246 111.035 108.800 -0.017 0.000 2.307 510 G HA2 0.414 4.374 3.960 0.001 0.000 0.271 510 G HA3 0.414 4.374 3.960 0.001 0.000 0.271 510 G C 0.512 175.397 174.900 -0.026 0.000 1.191 510 G CA 0.391 45.477 45.100 -0.022 0.000 1.024 510 G HN 1.137 nan 8.290 nan 0.000 0.441 511 A N 1.827 124.625 122.820 -0.037 0.000 6.848 511 A HA -0.051 4.270 4.320 0.001 0.000 0.247 511 A C 1.545 179.102 177.584 -0.045 0.000 2.199 511 A CA 0.979 52.992 52.037 -0.039 0.000 0.681 511 A CB -1.390 17.594 19.000 -0.027 0.000 1.069 511 A HN 2.023 nan 8.150 nan 0.000 0.381 512 S N -1.975 113.700 115.700 -0.042 0.000 2.807 512 S HA 0.098 4.568 4.470 0.001 0.000 0.247 512 S C 1.353 175.938 174.600 -0.025 0.000 1.078 512 S CA 1.392 59.568 58.200 -0.041 0.000 0.867 512 S CB -0.033 63.137 63.200 -0.050 0.000 0.797 512 S HN 0.857 nan 8.310 nan 0.000 0.515 513 D N 1.166 121.553 120.400 -0.021 0.000 2.221 513 D HA -0.079 4.562 4.640 0.001 0.000 0.204 513 D C 1.575 177.868 176.300 -0.011 0.000 0.982 513 D CA 1.265 55.256 54.000 -0.015 0.000 0.857 513 D CB 0.077 40.869 40.800 -0.013 0.000 0.934 513 D HN 0.585 nan 8.370 nan 0.000 0.475 514 E N -0.842 119.351 120.200 -0.012 0.000 2.447 514 E HA 0.201 4.552 4.350 0.001 0.000 0.195 514 E C 1.281 177.878 176.600 -0.005 0.000 1.028 514 E CA 0.343 56.738 56.400 -0.008 0.000 0.876 514 E CB 0.505 30.200 29.700 -0.008 0.000 0.885 514 E HN 0.242 nan 8.360 nan 0.000 0.500 515 A N 2.088 124.903 122.820 -0.007 0.000 2.666 515 A HA -0.078 4.242 4.320 0.001 0.000 0.221 515 A C 1.763 179.348 177.584 0.001 0.000 2.097 515 A CA 0.672 52.708 52.037 -0.001 0.000 0.835 515 A CB -0.711 18.286 19.000 -0.004 0.000 1.409 515 A HN 0.279 nan 8.150 nan 0.000 0.531 516 D N 0.057 120.456 120.400 -0.001 0.000 2.280 516 D HA -0.206 4.434 4.640 0.001 0.000 0.206 516 D C 1.671 177.970 176.300 -0.002 0.000 0.988 516 D CA 1.591 55.592 54.000 0.001 0.000 0.886 516 D CB -0.317 40.482 40.800 -0.001 0.000 0.914 516 D HN 0.222 nan 8.370 nan 0.000 0.473 517 L N 0.388 121.609 121.223 -0.004 0.000 2.131 517 L HA -0.092 4.248 4.340 0.001 0.000 0.206 517 L C 2.379 179.246 176.870 -0.004 0.000 1.087 517 L CA 1.593 56.430 54.840 -0.005 0.000 0.767 517 L CB -0.327 41.728 42.059 -0.006 0.000 0.917 517 L HN 0.196 nan 8.230 nan 0.000 0.441 518 Q N -2.592 117.207 119.800 -0.003 0.000 2.217 518 Q HA 0.092 4.432 4.340 0.001 0.000 0.217 518 Q C 1.816 177.815 176.000 -0.000 0.000 0.844 518 Q CA -0.230 55.572 55.803 -0.002 0.000 0.957 518 Q CB 0.066 28.803 28.738 -0.001 0.000 1.127 518 Q HN 0.155 nan 8.270 nan 0.000 0.503 519 R N 1.608 122.108 120.500 0.001 0.000 2.055 519 R HA -0.068 4.272 4.340 0.001 0.000 0.221 519 R C 1.619 177.916 176.300 -0.004 0.000 1.154 519 R CA 1.912 58.015 56.100 0.004 0.000 0.975 519 R CB 0.063 30.370 30.300 0.011 0.000 0.869 519 R HN 0.464 nan 8.270 nan 0.000 0.437 520 Q N 0.902 120.697 119.800 -0.008 0.000 2.508 520 Q HA -0.095 4.245 4.340 0.001 0.000 0.214 520 Q C 1.562 177.548 176.000 -0.023 0.000 0.979 520 Q CA 0.769 56.562 55.803 -0.017 0.000 0.911 520 Q CB -0.667 28.061 28.738 -0.016 0.000 0.969 520 Q HN 0.186 nan 8.270 nan 0.000 0.504 521 L N 0.312 121.524 121.223 -0.017 0.000 2.642 521 L HA 0.051 4.392 4.340 0.001 0.000 0.236 521 L C -0.013 176.842 176.870 -0.025 0.000 1.169 521 L CA 0.762 55.590 54.840 -0.019 0.000 0.851 521 L CB -0.277 41.775 42.059 -0.011 0.000 0.968 521 L HN 0.332 nan 8.230 nan 0.000 0.453 522 L N 0.826 122.032 121.223 -0.029 0.000 2.505 522 L HA 0.073 4.413 4.340 0.001 0.000 0.279 522 L C 1.062 177.895 176.870 -0.062 0.000 1.211 522 L CA -0.207 54.612 54.840 -0.035 0.000 1.059 522 L CB -0.203 41.838 42.059 -0.029 0.000 1.340 522 L HN 0.226 nan 8.230 nan 0.000 0.447 523 E N 1.404 121.565 120.200 -0.063 0.000 2.276 523 E HA -0.081 4.269 4.350 0.001 0.000 0.193 523 E C 1.332 177.860 176.600 -0.120 0.000 0.983 523 E CA 0.374 56.711 56.400 -0.106 0.000 0.861 523 E CB 0.148 29.805 29.700 -0.073 0.000 0.817 523 E HN 0.619 nan 8.360 nan 0.000 0.485 524 E N 1.661 121.833 120.200 -0.046 0.000 2.393 524 E HA -0.059 4.292 4.350 0.001 0.000 0.201 524 E C 0.505 177.110 176.600 0.007 0.000 1.025 524 E CA 0.534 56.939 56.400 0.007 0.000 0.856 524 E CB -0.159 29.554 29.700 0.022 0.000 0.771 524 E HN 0.122 nan 8.360 nan 0.000 0.526 525 A N 1.149 123.926 122.820 -0.073 0.000 2.537 525 A HA 0.299 4.619 4.320 0.001 0.000 0.260 525 A C -0.291 177.232 177.584 -0.101 0.000 1.082 525 A CA 0.772 52.766 52.037 -0.071 0.000 0.765 525 A CB -0.377 18.555 19.000 -0.112 0.000 1.019 525 A HN 0.251 nan 8.150 nan 0.000 0.507 526 F N 0.033 119.981 119.950 -0.004 0.000 3.410 526 F HA 0.458 4.985 4.527 0.001 0.000 0.328 526 F C 0.915 176.713 175.800 -0.003 0.000 1.099 526 F CA -0.682 57.316 58.000 -0.003 0.000 0.841 526 F CB 0.742 39.741 39.000 -0.002 0.000 1.527 526 F HN 0.823 nan 8.300 nan 0.000 0.478 527 G N 0.000 108.938 108.800 0.230 0.000 5.446 527 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 527 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 527 G CA 0.000 45.141 45.100 0.068 0.000 0.502 527 G HN 0.000 nan 8.290 nan 0.000 0.925