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 3p4s_1_M DATA FIRST_RESID 0 DATA SEQUENCE MQTFQADLAI VGAGGAGLRA AIAAAQANPN AKIALISKVY PMRSHTVAAE DATA SEQUENCE GGSAAVAQDH DSFEYHFHDT VAGGDWLCEQ DVVDYFVHHC PTEMTQLELW DATA SEQUENCE GCPWSRRPDG SVNVRRFGGM KIERTWFAAD KTGFHMLHTL FQTSLQFPQI DATA SEQUENCE QRFDEHFVLD ILVDDGHVRG LVAMNMMEGT LVQIRANAVV MATGGAGRVY DATA SEQUENCE RYNTNGGIVT GDGMGMALSH GVPLRDMEFV QYHPTGLPGS GILMTEGCRG DATA SEQUENCE EGGILVNKNG YRYLQDYGMG PETPLGEPKN KYMELGPRDK VSQAFWHEWR DATA SEQUENCE KGNTISTPRG DVVYLDLRHL GEKKLHERLP FICELAKAYV GVDPVKEPIP DATA SEQUENCE VRPTAHYTMG GIETDQNCET RIKGLFAVGE CSSVGLHGAN RLGSNSLAEL DATA SEQUENCE VVFGRLAGEQ ATERAATAGN GNEAAIEAQA AGVEQRLKDL VNQDGGENWA DATA SEQUENCE KIRDEMGLAM EEGCGIYRTP ELMQKTIDKL AELQERFKRV RITDTSSVFN DATA SEQUENCE TDLLYTIELG HGLNVAECMA HSAMARKESR GAHQRLDEGC TERDDVNFLK DATA SEQUENCE HTLAFRDADG TTRLEYSDVK ITTLPPA 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 0 M HA 0.000 nan 4.480 nan 0.000 0.227 0 M C 0.000 176.332 176.300 0.053 0.000 1.140 0 M CA 0.000 55.327 55.300 0.044 0.000 0.988 0 M CB 0.000 32.623 32.600 0.038 0.000 1.302 1 Q N 1.045 120.889 119.800 0.074 0.000 2.297 1 Q HA 0.742 5.080 4.340 -0.004 0.000 0.269 1 Q C -1.208 174.856 176.000 0.106 0.000 1.051 1 Q CA -0.988 54.870 55.803 0.091 0.000 0.869 1 Q CB 2.688 31.498 28.738 0.120 0.000 1.346 1 Q HN 0.641 nan 8.270 nan 0.000 0.457 2 T N 0.983 115.600 114.554 0.106 0.000 2.863 2 T HA 0.571 4.919 4.350 -0.004 0.000 0.285 2 T C -1.547 173.248 174.700 0.159 0.000 1.009 2 T CA -0.420 61.745 62.100 0.107 0.000 0.989 2 T CB 0.604 69.501 68.868 0.048 0.000 1.004 2 T HN 0.321 nan 8.240 nan 0.000 0.455 3 F N 2.347 122.317 119.950 0.033 0.000 2.518 3 F HA 0.406 4.933 4.527 -0.000 0.000 0.323 3 F C 0.182 176.004 175.800 0.036 0.000 1.129 3 F CA -0.807 57.226 58.000 0.056 0.000 0.920 3 F CB 1.860 40.925 39.000 0.109 0.000 1.160 3 F HN 0.405 nan 8.300 nan 0.000 0.440 4 Q N 4.070 123.836 119.800 -0.058 0.000 2.304 4 Q HA 0.673 5.011 4.340 -0.004 0.000 0.260 4 Q C -1.404 174.680 176.000 0.139 0.000 0.965 4 Q CA -0.280 55.529 55.803 0.010 0.000 0.898 4 Q CB 1.150 29.839 28.738 -0.083 0.000 1.196 4 Q HN 0.810 nan 8.270 nan 0.000 0.402 5 A N 3.728 126.618 122.820 0.116 0.000 2.604 5 A HA 0.338 4.656 4.320 -0.004 0.000 0.295 5 A C -0.956 176.668 177.584 0.067 0.000 1.067 5 A CA -0.706 51.406 52.037 0.124 0.000 0.683 5 A CB 1.435 20.519 19.000 0.139 0.000 1.281 5 A HN 0.826 nan 8.150 nan 0.000 0.407 6 D N 0.135 120.568 120.400 0.055 0.000 2.201 6 D HA 0.182 4.820 4.640 -0.004 0.000 0.209 6 D C 0.058 176.375 176.300 0.029 0.000 0.961 6 D CA 1.418 55.437 54.000 0.032 0.000 0.861 6 D CB 0.095 40.906 40.800 0.019 0.000 0.997 6 D HN 0.379 nan 8.370 nan 0.000 0.486 7 L N 0.505 121.744 121.223 0.027 0.000 2.372 7 L HA 0.615 4.953 4.340 -0.004 0.000 0.274 7 L C -0.954 175.915 176.870 -0.002 0.000 0.988 7 L CA -0.857 53.988 54.840 0.008 0.000 0.833 7 L CB 2.212 44.263 42.059 -0.013 0.000 1.236 7 L HN -0.170 nan 8.230 nan 0.000 0.410 8 A N 5.659 128.465 122.820 -0.025 0.000 2.267 8 A HA 0.808 5.126 4.320 -0.004 0.000 0.315 8 A C -0.602 176.925 177.584 -0.094 0.000 1.297 8 A CA -0.322 51.663 52.037 -0.087 0.000 0.865 8 A CB 0.295 19.229 19.000 -0.110 0.000 1.165 8 A HN 0.650 nan 8.150 nan 0.000 0.513 9 I N 2.926 123.431 120.570 -0.108 0.000 2.362 9 I HA 0.294 4.461 4.170 -0.004 0.000 0.289 9 I C -0.491 175.554 176.117 -0.121 0.000 0.994 9 I CA -0.890 60.358 61.300 -0.087 0.000 1.158 9 I CB 1.945 39.917 38.000 -0.046 0.000 1.315 9 I HN 0.256 nan 8.210 nan 0.000 0.451 10 V N 5.905 125.746 119.914 -0.122 0.000 2.385 10 V HA 0.797 4.915 4.120 -0.004 0.000 0.269 10 V C 0.441 176.468 176.094 -0.111 0.000 1.043 10 V CA 0.193 62.410 62.300 -0.140 0.000 0.906 10 V CB 0.763 32.485 31.823 -0.170 0.000 0.995 10 V HN 1.049 nan 8.190 nan 0.000 0.467 11 G N 4.367 113.110 108.800 -0.096 0.000 2.653 11 G HA2 0.317 4.275 3.960 -0.004 0.000 0.656 11 G HA3 0.317 4.275 3.960 -0.004 0.000 0.656 11 G C -0.220 174.650 174.900 -0.049 0.000 1.419 11 G CA -0.292 44.764 45.100 -0.074 0.000 0.862 11 G HN 1.241 nan 8.290 nan 0.000 0.639 12 A N 0.894 123.687 122.820 -0.044 0.000 2.640 12 A HA 0.694 5.012 4.320 -0.004 0.000 0.282 12 A C 1.338 178.906 177.584 -0.026 0.000 1.357 12 A CA 0.960 52.972 52.037 -0.042 0.000 0.946 12 A CB -0.265 18.698 19.000 -0.063 0.000 1.065 12 A HN 2.108 nan 8.150 nan 0.000 0.541 13 G N -0.985 107.806 108.800 -0.015 0.000 2.403 13 G HA2 0.398 4.356 3.960 -0.004 0.000 0.259 13 G HA3 0.398 4.356 3.960 -0.004 0.000 0.259 13 G C 1.103 176.015 174.900 0.019 0.000 1.244 13 G CA 0.117 45.219 45.100 0.003 0.000 0.849 13 G HN 0.470 nan 8.290 nan 0.000 0.532 14 G N 1.633 110.455 108.800 0.037 0.000 2.475 14 G HA2 -0.080 3.878 3.960 -0.004 0.000 0.220 14 G HA3 -0.080 3.878 3.960 -0.004 0.000 0.220 14 G C 1.848 176.791 174.900 0.073 0.000 1.125 14 G CA 1.722 46.856 45.100 0.057 0.000 0.755 14 G HN 0.918 nan 8.290 nan 0.000 0.565 15 A N 0.897 123.755 122.820 0.064 0.000 1.841 15 A HA 0.209 4.527 4.320 -0.004 0.000 0.214 15 A C 2.780 180.409 177.584 0.075 0.000 1.195 15 A CA 2.049 54.131 52.037 0.076 0.000 0.611 15 A CB -1.221 17.792 19.000 0.022 0.000 0.835 15 A HN 0.562 nan 8.150 nan 0.000 0.443 16 G N -0.057 108.766 108.800 0.040 0.000 2.442 16 G HA2 -0.187 3.771 3.960 -0.004 0.000 0.219 16 G HA3 -0.187 3.771 3.960 -0.004 0.000 0.219 16 G C 1.508 176.426 174.900 0.030 0.000 1.141 16 G CA 1.142 46.259 45.100 0.029 0.000 0.763 16 G HN 0.443 nan 8.290 nan 0.000 0.554 17 L N -0.289 120.954 121.223 0.033 0.000 2.141 17 L HA 0.038 4.376 4.340 -0.004 0.000 0.209 17 L C 2.830 179.719 176.870 0.033 0.000 1.094 17 L CA 1.088 55.947 54.840 0.032 0.000 0.763 17 L CB -0.372 41.709 42.059 0.036 0.000 0.908 17 L HN 0.153 nan 8.230 nan 0.000 0.437 18 R N 1.251 121.787 120.500 0.060 0.000 2.092 18 R HA -0.075 4.262 4.340 -0.004 0.000 0.231 18 R C 2.237 178.583 176.300 0.077 0.000 1.119 18 R CA 1.563 57.715 56.100 0.087 0.000 0.970 18 R CB -0.549 29.838 30.300 0.146 0.000 0.864 18 R HN 0.269 nan 8.270 nan 0.000 0.440 19 A N 0.177 123.038 122.820 0.068 0.000 1.972 19 A HA 0.008 4.326 4.320 -0.004 0.000 0.219 19 A C 2.317 179.901 177.584 0.000 0.000 1.169 19 A CA 1.572 53.630 52.037 0.035 0.000 0.635 19 A CB -0.860 18.160 19.000 0.034 0.000 0.810 19 A HN 0.490 nan 8.150 nan 0.000 0.446 20 A N 0.106 122.929 122.820 0.006 0.000 1.898 20 A HA -0.034 4.284 4.320 -0.004 0.000 0.216 20 A C 2.056 179.625 177.584 -0.025 0.000 1.181 20 A CA 1.444 53.478 52.037 -0.004 0.000 0.620 20 A CB -0.555 18.454 19.000 0.015 0.000 0.819 20 A HN 0.484 nan 8.150 nan 0.000 0.442 21 I N -0.152 120.404 120.570 -0.022 0.000 2.394 21 I HA -0.223 3.945 4.170 -0.004 0.000 0.251 21 I C 2.850 178.934 176.117 -0.055 0.000 1.136 21 I CA 0.876 62.142 61.300 -0.057 0.000 1.425 21 I CB -0.264 37.688 38.000 -0.081 0.000 1.079 21 I HN 0.338 nan 8.210 nan 0.000 0.425 22 A N 0.852 123.671 122.820 -0.001 0.000 1.930 22 A HA -0.088 4.230 4.320 -0.004 0.000 0.217 22 A C 2.520 180.075 177.584 -0.048 0.000 1.175 22 A CA 1.613 53.654 52.037 0.007 0.000 0.627 22 A CB -0.670 18.343 19.000 0.022 0.000 0.815 22 A HN 0.411 nan 8.150 nan 0.000 0.443 23 A N -0.421 122.358 122.820 -0.069 0.000 2.067 23 A HA 0.263 4.581 4.320 -0.004 0.000 0.219 23 A C 2.301 179.823 177.584 -0.104 0.000 1.158 23 A CA 1.650 53.640 52.037 -0.079 0.000 0.661 23 A CB -0.625 18.334 19.000 -0.067 0.000 0.801 23 A HN 0.930 nan 8.150 nan 0.000 0.452 24 A N -0.647 122.070 122.820 -0.171 0.000 1.970 24 A HA -0.042 4.276 4.320 -0.004 0.000 0.216 24 A C 2.057 179.512 177.584 -0.216 0.000 1.170 24 A CA 1.352 53.240 52.037 -0.250 0.000 0.645 24 A CB -0.303 18.383 19.000 -0.522 0.000 0.816 24 A HN 0.600 nan 8.150 nan 0.000 0.447 25 Q N -0.193 119.501 119.800 -0.176 0.000 1.994 25 Q HA 0.047 4.385 4.340 -0.004 0.000 0.198 25 Q C 2.421 178.387 176.000 -0.057 0.000 0.976 25 Q CA 1.615 57.351 55.803 -0.111 0.000 0.828 25 Q CB -0.404 28.300 28.738 -0.057 0.000 0.894 25 Q HN 0.594 nan 8.270 nan 0.000 0.432 26 A N 0.858 123.652 122.820 -0.044 0.000 1.872 26 A HA -0.096 4.222 4.320 -0.004 0.000 0.214 26 A C 0.903 178.472 177.584 -0.025 0.000 1.187 26 A CA 1.006 53.028 52.037 -0.026 0.000 0.614 26 A CB -0.241 18.746 19.000 -0.022 0.000 0.826 26 A HN 0.369 nan 8.150 nan 0.000 0.442 27 N N -0.616 118.065 118.700 -0.033 0.000 2.623 27 N HA 0.338 5.076 4.740 -0.004 0.000 0.256 27 N C -2.436 173.055 175.510 -0.032 0.000 1.045 27 N CA -1.586 51.449 53.050 -0.026 0.000 0.863 27 N CB 1.522 39.996 38.487 -0.022 0.000 1.182 27 N HN -0.060 nan 8.380 nan 0.000 0.523 28 P HA -0.028 nan 4.420 nan 0.000 0.217 28 P C 0.547 177.841 177.300 -0.010 0.000 1.150 28 P CA 0.989 64.073 63.100 -0.026 0.000 0.832 28 P CB 0.323 32.020 31.700 -0.005 0.000 0.787 29 N N 0.230 118.928 118.700 -0.003 0.000 2.192 29 N HA -0.099 4.638 4.740 -0.004 0.000 0.188 29 N C 0.693 176.206 175.510 0.005 0.000 1.013 29 N CA 0.928 53.980 53.050 0.004 0.000 0.863 29 N CB -1.133 37.356 38.487 0.002 0.000 0.990 29 N HN 0.089 nan 8.380 nan 0.000 0.430 30 A N 1.447 124.265 122.820 -0.003 0.000 2.553 30 A HA -0.041 4.277 4.320 -0.004 0.000 0.258 30 A C 0.711 178.300 177.584 0.010 0.000 1.069 30 A CA 0.035 52.071 52.037 -0.001 0.000 0.767 30 A CB -0.030 18.962 19.000 -0.014 0.000 0.997 30 A HN 0.053 nan 8.150 nan 0.000 0.512 31 K N 3.149 123.566 120.400 0.028 0.000 2.298 31 K HA 0.409 4.727 4.320 -0.004 0.000 0.280 31 K C -0.891 175.743 176.600 0.057 0.000 1.032 31 K CA 0.098 56.417 56.287 0.054 0.000 0.958 31 K CB 0.206 32.752 32.500 0.078 0.000 0.978 31 K HN 0.596 nan 8.250 nan 0.000 0.472 32 I N 2.210 122.821 120.570 0.068 0.000 2.509 32 I HA 0.391 4.559 4.170 -0.004 0.000 0.293 32 I C -0.506 175.682 176.117 0.119 0.000 1.020 32 I CA -0.979 60.360 61.300 0.065 0.000 1.088 32 I CB 2.141 40.160 38.000 0.030 0.000 1.267 32 I HN 0.571 nan 8.210 nan 0.000 0.430 33 A N 6.524 129.419 122.820 0.124 0.000 2.335 33 A HA 0.851 5.169 4.320 -0.004 0.000 0.304 33 A C -1.227 176.434 177.584 0.128 0.000 1.118 33 A CA -0.393 51.788 52.037 0.241 0.000 0.757 33 A CB 0.925 20.021 19.000 0.160 0.000 1.188 33 A HN 0.570 nan 8.150 nan 0.000 0.460 34 L N 3.737 125.114 121.223 0.257 0.000 2.324 34 L HA 0.485 4.823 4.340 -0.004 0.000 0.274 34 L C -0.200 176.780 176.870 0.183 0.000 1.012 34 L CA 0.066 54.983 54.840 0.129 0.000 0.859 34 L CB 1.298 43.415 42.059 0.097 0.000 1.224 34 L HN 0.755 nan 8.230 nan 0.000 0.429 35 I N 1.706 122.249 120.570 -0.044 0.000 2.498 35 I HA 0.762 4.930 4.170 -0.004 0.000 0.301 35 I C -0.474 175.606 176.117 -0.062 0.000 0.984 35 I CA 0.082 61.329 61.300 -0.089 0.000 1.204 35 I CB 1.766 39.555 38.000 -0.351 0.000 1.362 35 I HN 0.616 nan 8.210 nan 0.000 0.471 36 S N 4.894 120.576 115.700 -0.030 0.000 2.547 36 S HA 0.305 4.773 4.470 -0.004 0.000 0.270 36 S C 0.153 174.744 174.600 -0.015 0.000 1.150 36 S CA -0.779 57.395 58.200 -0.043 0.000 0.850 36 S CB 1.724 64.888 63.200 -0.060 0.000 1.118 36 S HN 0.824 nan 8.310 nan 0.000 0.461 37 K N 1.069 121.464 120.400 -0.009 0.000 2.418 37 K HA 0.178 4.495 4.320 -0.004 0.000 0.195 37 K C 0.544 177.144 176.600 0.000 0.000 1.035 37 K CA 0.664 56.975 56.287 0.041 0.000 1.003 37 K CB -0.294 32.276 32.500 0.117 0.000 0.793 37 K HN 0.456 nan 8.250 nan 0.000 0.494 38 V N -1.808 118.081 119.914 -0.040 0.000 3.040 38 V HA 0.437 4.554 4.120 -0.004 0.000 0.312 38 V C -0.620 175.402 176.094 -0.120 0.000 1.115 38 V CA -1.656 60.624 62.300 -0.034 0.000 0.998 38 V CB 0.699 32.579 31.823 0.095 0.000 1.042 38 V HN 0.058 nan 8.190 nan 0.000 0.433 39 Y N 1.961 122.241 120.300 -0.033 0.000 2.426 39 Y HA 0.287 4.835 4.550 -0.003 0.000 0.344 39 Y C -1.002 174.762 175.900 -0.227 0.000 1.256 39 Y CA -1.143 56.880 58.100 -0.129 0.000 1.451 39 Y CB 0.171 38.548 38.460 -0.138 0.000 1.342 39 Y HN 0.449 nan 8.280 nan 0.000 0.600 40 P HA -0.281 nan 4.420 nan 0.000 0.216 40 P C 1.478 178.532 177.300 -0.411 0.000 1.150 40 P CA 2.083 64.930 63.100 -0.421 0.000 0.843 40 P CB -0.013 31.169 31.700 -0.862 0.000 0.787 41 M N -1.715 117.575 119.600 -0.516 0.000 2.254 41 M HA 0.007 4.485 4.480 -0.004 0.000 0.265 41 M C 0.688 176.957 176.300 -0.053 0.000 1.066 41 M CA 1.440 56.522 55.300 -0.363 0.000 1.123 41 M CB -1.087 31.277 32.600 -0.395 0.000 1.388 41 M HN -0.254 nan 8.290 nan 0.000 0.425 42 R N 1.822 122.318 120.500 -0.007 0.000 2.389 42 R HA 0.473 4.811 4.340 -0.004 0.000 0.295 42 R C 0.072 176.414 176.300 0.070 0.000 1.075 42 R CA 0.308 56.455 56.100 0.078 0.000 1.005 42 R CB 0.908 31.297 30.300 0.148 0.000 0.987 42 R HN 0.615 nan 8.270 nan 0.000 0.452 43 S N 0.049 115.805 115.700 0.094 0.000 3.062 43 S HA -0.092 4.376 4.470 -0.004 0.000 0.291 43 S C -0.178 174.503 174.600 0.136 0.000 1.216 43 S CA -0.210 58.056 58.200 0.109 0.000 1.582 43 S CB -0.373 62.873 63.200 0.077 0.000 1.261 43 S HN 0.861 nan 8.310 nan 0.000 0.354 44 H N -0.066 119.032 119.070 0.047 0.000 2.695 44 H HA 0.376 4.929 4.556 -0.004 0.000 0.267 44 H C 1.731 177.087 175.328 0.048 0.000 0.973 44 H CA 1.685 57.760 56.048 0.045 0.000 1.223 44 H CB 0.086 29.867 29.762 0.031 0.000 1.442 44 H HN 0.443 nan 8.280 nan 0.000 0.478 45 T N -0.063 114.575 114.554 0.139 0.000 2.849 45 T HA -0.188 4.160 4.350 -0.004 0.000 0.270 45 T C 2.042 176.784 174.700 0.070 0.000 1.066 45 T CA 1.226 63.387 62.100 0.101 0.000 1.130 45 T CB -0.495 68.428 68.868 0.091 0.000 0.864 45 T HN 0.185 nan 8.240 nan 0.000 0.481 46 V N 1.482 121.440 119.914 0.073 0.000 2.407 46 V HA -0.053 4.065 4.120 -0.004 0.000 0.248 46 V C 2.557 178.675 176.094 0.040 0.000 1.055 46 V CA 1.780 64.156 62.300 0.127 0.000 1.049 46 V CB -0.911 31.035 31.823 0.204 0.000 0.662 46 V HN 0.532 nan 8.190 nan 0.000 0.455 47 A N -0.040 122.718 122.820 -0.104 0.000 2.209 47 A HA 0.405 4.723 4.320 -0.004 0.000 0.212 47 A C 1.377 178.848 177.584 -0.188 0.000 1.158 47 A CA 0.796 52.702 52.037 -0.220 0.000 0.742 47 A CB -0.733 18.017 19.000 -0.416 0.000 0.790 47 A HN 0.862 nan 8.150 nan 0.000 0.472 48 A N 0.103 122.872 122.820 -0.085 0.000 2.492 48 A HA 0.408 4.725 4.320 -0.004 0.000 0.254 48 A C 0.650 178.215 177.584 -0.033 0.000 1.091 48 A CA 0.174 52.194 52.037 -0.028 0.000 0.768 48 A CB 0.077 19.091 19.000 0.024 0.000 1.028 48 A HN 0.549 nan 8.150 nan 0.000 0.498 49 E N 2.216 122.392 120.200 -0.040 0.000 2.391 49 E HA 0.072 4.420 4.350 -0.004 0.000 0.206 49 E C 1.936 178.553 176.600 0.028 0.000 0.851 49 E CA 0.562 56.940 56.400 -0.036 0.000 1.059 49 E CB 0.252 29.891 29.700 -0.102 0.000 1.065 49 E HN 0.779 nan 8.360 nan 0.000 0.512 50 G N 1.334 110.114 108.800 -0.033 0.000 2.556 50 G HA2 0.213 4.171 3.960 -0.004 0.000 0.215 50 G HA3 0.213 4.171 3.960 -0.004 0.000 0.215 50 G C 0.726 175.472 174.900 -0.255 0.000 1.258 50 G CA 0.871 45.822 45.100 -0.248 0.000 0.811 50 G HN 0.453 nan 8.290 nan 0.000 0.557 51 G N -2.064 106.579 108.800 -0.262 0.000 2.345 51 G HA2 0.410 4.368 3.960 -0.004 0.000 0.285 51 G HA3 0.410 4.368 3.960 -0.004 0.000 0.285 51 G C -1.217 173.669 174.900 -0.023 0.000 1.297 51 G CA 0.508 45.597 45.100 -0.019 0.000 0.875 51 G HN 0.934 nan 8.290 nan 0.000 0.506 52 S N -0.436 115.313 115.700 0.082 0.000 2.733 52 S HA 0.683 5.151 4.470 -0.004 0.000 0.307 52 S C 0.208 174.816 174.600 0.013 0.000 1.127 52 S CA 0.599 58.826 58.200 0.046 0.000 1.097 52 S CB 0.382 63.628 63.200 0.077 0.000 1.003 52 S HN 1.970 nan 8.310 nan 0.000 0.477 53 A N 4.039 126.891 122.820 0.053 0.000 2.404 53 A HA 0.765 5.082 4.320 -0.004 0.000 0.273 53 A C 0.575 178.092 177.584 -0.112 0.000 1.144 53 A CA 0.045 52.139 52.037 0.094 0.000 0.806 53 A CB -0.044 19.082 19.000 0.211 0.000 1.080 53 A HN 1.268 nan 8.150 nan 0.000 0.509 54 A N 2.298 124.863 122.820 -0.425 0.000 2.437 54 A HA 0.749 5.067 4.320 -0.004 0.000 0.288 54 A C -0.364 177.021 177.584 -0.333 0.000 1.201 54 A CA -0.550 51.077 52.037 -0.684 0.000 0.795 54 A CB 0.575 18.738 19.000 -1.396 0.000 1.359 54 A HN 1.016 nan 8.150 nan 0.000 0.435 55 V N 0.817 120.549 119.914 -0.302 0.000 2.614 55 V HA 0.489 4.607 4.120 -0.004 0.000 0.291 55 V C 0.865 177.040 176.094 0.134 0.000 1.049 55 V CA 0.319 62.525 62.300 -0.156 0.000 1.038 55 V CB 0.588 32.334 31.823 -0.127 0.000 0.980 55 V HN 1.130 nan 8.190 nan 0.000 0.481 56 A N 4.738 127.574 122.820 0.026 0.000 2.256 56 A HA 0.737 5.055 4.320 -0.004 0.000 0.318 56 A C -0.278 177.224 177.584 -0.136 0.000 1.103 56 A CA -0.641 51.374 52.037 -0.037 0.000 0.860 56 A CB 0.923 19.856 19.000 -0.112 0.000 1.182 56 A HN 0.825 nan 8.150 nan 0.000 0.501 57 Q N -0.472 119.234 119.800 -0.157 0.000 2.306 57 Q HA 0.618 4.956 4.340 -0.004 0.000 0.269 57 Q C -1.069 174.795 176.000 -0.226 0.000 1.053 57 Q CA -0.518 55.176 55.803 -0.181 0.000 0.879 57 Q CB 1.827 30.486 28.738 -0.131 0.000 1.344 57 Q HN 0.854 nan 8.270 nan 0.000 0.464 58 D N -1.395 118.862 120.400 -0.237 0.000 3.398 58 D HA -0.138 4.500 4.640 -0.004 0.000 0.298 58 D C -1.416 174.706 176.300 -0.296 0.000 1.338 58 D CA -0.337 53.461 54.000 -0.337 0.000 0.781 58 D CB -0.659 39.821 40.800 -0.533 0.000 1.207 58 D HN 0.736 nan 8.370 nan 0.000 0.502 59 H N 0.592 119.588 119.070 -0.123 0.000 3.460 59 H HA 0.570 5.124 4.556 -0.003 0.000 0.238 59 H C -0.571 174.619 175.328 -0.230 0.000 1.752 59 H CA -0.140 55.828 56.048 -0.134 0.000 1.503 59 H CB -0.234 29.465 29.762 -0.105 0.000 1.830 59 H HN 0.304 nan 8.280 nan 0.000 0.614 60 D N 0.403 120.675 120.400 -0.214 0.000 2.661 60 D HA 0.427 5.065 4.640 -0.004 0.000 0.228 60 D C -0.940 175.239 176.300 -0.201 0.000 1.210 60 D CA -0.709 53.099 54.000 -0.320 0.000 0.826 60 D CB 2.349 42.956 40.800 -0.322 0.000 1.542 60 D HN 0.339 nan 8.370 nan 0.000 0.447 61 S N 1.252 116.943 115.700 -0.014 0.000 2.634 61 S HA 0.462 4.930 4.470 -0.004 0.000 0.296 61 S C 0.544 175.118 174.600 -0.044 0.000 1.104 61 S CA -0.664 57.521 58.200 -0.025 0.000 0.920 61 S CB 0.558 63.909 63.200 0.251 0.000 1.111 61 S HN 0.356 nan 8.310 nan 0.000 0.493 62 F N 1.035 121.037 119.950 0.086 0.000 2.293 62 F HA 0.091 4.616 4.527 -0.003 0.000 0.300 62 F C 2.366 178.248 175.800 0.136 0.000 1.086 62 F CA 0.817 58.828 58.000 0.019 0.000 1.375 62 F CB -0.254 38.569 39.000 -0.296 0.000 1.045 62 F HN 0.572 nan 8.300 nan 0.000 0.516 63 E N -0.019 120.348 120.200 0.279 0.000 2.153 63 E HA -0.196 4.152 4.350 -0.004 0.000 0.194 63 E C 1.894 178.623 176.600 0.215 0.000 0.988 63 E CA 1.414 57.930 56.400 0.192 0.000 0.811 63 E CB -0.528 29.194 29.700 0.036 0.000 0.746 63 E HN 0.493 nan 8.360 nan 0.000 0.466 64 Y N -0.644 119.765 120.300 0.181 0.000 2.145 64 Y HA -0.206 4.341 4.550 -0.004 0.000 0.286 64 Y C 2.628 178.671 175.900 0.238 0.000 1.145 64 Y CA 2.012 60.211 58.100 0.165 0.000 1.148 64 Y CB -0.431 38.082 38.460 0.089 0.000 0.981 64 Y HN 0.313 nan 8.280 nan 0.000 0.507 65 H N -1.194 118.058 119.070 0.304 0.000 2.389 65 H HA -0.197 4.357 4.556 -0.004 0.000 0.299 65 H C 2.099 177.570 175.328 0.239 0.000 1.081 65 H CA 1.384 57.572 56.048 0.232 0.000 1.345 65 H CB -0.300 29.576 29.762 0.190 0.000 1.393 65 H HN 0.398 nan 8.280 nan 0.000 0.520 66 F N 0.888 120.914 119.950 0.127 0.000 2.102 66 F HA -0.222 4.303 4.527 -0.004 0.000 0.298 66 F C 2.711 178.500 175.800 -0.018 0.000 1.105 66 F CA 2.106 60.132 58.000 0.042 0.000 1.239 66 F CB -0.543 38.517 39.000 0.099 0.000 0.991 66 F HN 0.220 nan 8.300 nan 0.000 0.474 67 H N -0.207 118.928 119.070 0.108 0.000 2.321 67 H HA -0.145 4.409 4.556 -0.004 0.000 0.300 67 H C 1.916 177.149 175.328 -0.159 0.000 1.087 67 H CA 2.307 58.334 56.048 -0.034 0.000 1.319 67 H CB -0.413 29.380 29.762 0.052 0.000 1.379 67 H HN 0.196 nan 8.280 nan 0.000 0.501 68 D N -0.691 119.744 120.400 0.057 0.000 2.116 68 D HA -0.156 4.482 4.640 -0.004 0.000 0.193 68 D C 2.131 178.310 176.300 -0.202 0.000 0.998 68 D CA 2.015 56.005 54.000 -0.017 0.000 0.836 68 D CB -0.686 40.155 40.800 0.069 0.000 0.951 68 D HN 0.458 nan 8.370 nan 0.000 0.449 69 T N 0.085 114.459 114.554 -0.300 0.000 2.720 69 T HA -0.102 4.246 4.350 -0.004 0.000 0.268 69 T C 2.197 176.614 174.700 -0.472 0.000 1.037 69 T CA 0.953 62.838 62.100 -0.358 0.000 1.144 69 T CB -0.380 68.253 68.868 -0.391 0.000 0.864 69 T HN 0.006 nan 8.240 nan 0.000 0.444 70 V N 1.483 120.984 119.914 -0.689 0.000 2.488 70 V HA -0.026 4.092 4.120 -0.004 0.000 0.246 70 V C 2.908 178.384 176.094 -1.030 0.000 1.046 70 V CA 1.244 62.980 62.300 -0.941 0.000 1.053 70 V CB -1.232 29.869 31.823 -1.203 0.000 0.679 70 V HN 0.518 nan 8.190 nan 0.000 0.458 71 A N 0.981 123.302 122.820 -0.833 0.000 1.865 71 A HA -0.136 4.181 4.320 -0.004 0.000 0.217 71 A C 2.347 179.777 177.584 -0.257 0.000 1.191 71 A CA 2.138 53.860 52.037 -0.525 0.000 0.623 71 A CB -1.239 17.611 19.000 -0.251 0.000 0.826 71 A HN 0.535 nan 8.150 nan 0.000 0.444 72 G N -1.452 107.218 108.800 -0.216 0.000 2.650 72 G HA2 0.231 4.189 3.960 -0.004 0.000 0.214 72 G HA3 0.231 4.189 3.960 -0.004 0.000 0.214 72 G C 1.200 175.999 174.900 -0.168 0.000 1.136 72 G CA 0.997 46.017 45.100 -0.134 0.000 0.789 72 G HN 0.745 nan 8.290 nan 0.000 0.536 73 G N 0.293 108.940 108.800 -0.255 0.000 2.880 73 G HA2 0.228 4.186 3.960 -0.004 0.000 0.209 73 G HA3 0.228 4.186 3.960 -0.004 0.000 0.209 73 G C 0.485 175.282 174.900 -0.171 0.000 1.157 73 G CA 0.583 45.535 45.100 -0.248 0.000 0.779 73 G HN 0.297 nan 8.290 nan 0.000 0.539 74 D N -1.876 118.466 120.400 -0.097 0.000 2.983 74 D HA -0.204 4.434 4.640 -0.004 0.000 0.225 74 D C 0.550 177.114 176.300 0.441 0.000 1.174 74 D CA 1.030 55.160 54.000 0.216 0.000 0.831 74 D CB -1.870 39.027 40.800 0.163 0.000 1.104 74 D HN 0.624 nan 8.370 nan 0.000 0.421 75 W N -1.771 119.486 121.300 -0.071 0.000 4.034 75 W HA -0.286 4.371 4.660 -0.004 0.000 0.345 75 W C 0.669 177.170 176.519 -0.030 0.000 1.308 75 W CA 0.118 57.435 57.345 -0.047 0.000 0.740 75 W CB -1.904 27.544 29.460 -0.019 0.000 2.404 75 W HN 0.316 nan 8.180 nan 0.000 1.353 76 L N 0.171 121.440 121.223 0.077 0.000 2.640 76 L HA 0.075 4.413 4.340 -0.004 0.000 0.230 76 L C 1.572 178.445 176.870 0.005 0.000 1.123 76 L CA 0.381 55.219 54.840 -0.003 0.000 0.900 76 L CB 0.011 42.082 42.059 0.019 0.000 1.146 76 L HN 0.111 nan 8.230 nan 0.000 0.484 77 C N -0.750 118.546 119.300 -0.006 0.000 2.536 77 C HA 0.280 4.738 4.460 -0.004 0.000 0.396 77 C C 0.755 175.790 174.990 0.075 0.000 1.279 77 C CA -1.150 57.874 59.018 0.011 0.000 2.148 77 C CB 0.343 27.997 27.740 -0.145 0.000 2.584 77 C HN 0.367 nan 8.230 nan 0.000 0.579 78 E N 1.689 121.960 120.200 0.118 0.000 2.159 78 E HA 0.016 4.364 4.350 -0.004 0.000 0.272 78 E C 0.952 177.614 176.600 0.103 0.000 1.138 78 E CA 0.139 56.611 56.400 0.120 0.000 0.915 78 E CB 0.438 30.184 29.700 0.078 0.000 1.028 78 E HN 0.777 nan 8.360 nan 0.000 0.423 79 Q N 2.884 122.772 119.800 0.147 0.000 2.508 79 Q HA -0.142 4.196 4.340 -0.004 0.000 0.214 79 Q C 0.351 176.558 176.000 0.345 0.000 0.979 79 Q CA 0.685 56.652 55.803 0.273 0.000 0.911 79 Q CB 0.298 29.251 28.738 0.358 0.000 0.969 79 Q HN 0.576 nan 8.270 nan 0.000 0.504 80 D N -0.842 119.686 120.400 0.213 0.000 2.262 80 D HA -0.041 4.597 4.640 -0.004 0.000 0.212 80 D C 1.820 178.228 176.300 0.181 0.000 0.964 80 D CA 0.424 54.531 54.000 0.178 0.000 0.875 80 D CB 0.226 41.093 40.800 0.111 0.000 0.996 80 D HN -0.028 nan 8.370 nan 0.000 0.497 81 V N 0.635 120.630 119.914 0.134 0.000 2.358 81 V HA -0.169 3.949 4.120 -0.004 0.000 0.246 81 V C 2.483 178.697 176.094 0.200 0.000 1.047 81 V CA 1.049 63.416 62.300 0.111 0.000 1.035 81 V CB -0.257 31.586 31.823 0.034 0.000 0.658 81 V HN 0.060 nan 8.190 nan 0.000 0.452 82 V N 0.315 120.347 119.914 0.197 0.000 2.427 82 V HA -0.232 3.886 4.120 -0.004 0.000 0.248 82 V C 2.293 178.693 176.094 0.510 0.000 1.051 82 V CA 2.158 64.599 62.300 0.236 0.000 1.048 82 V CB -0.649 31.150 31.823 -0.040 0.000 0.666 82 V HN 0.606 nan 8.190 nan 0.000 0.456 83 D N -0.822 119.926 120.400 0.581 0.000 2.144 83 D HA -0.229 4.409 4.640 -0.004 0.000 0.200 83 D C 1.959 178.518 176.300 0.431 0.000 0.978 83 D CA 1.258 55.550 54.000 0.486 0.000 0.833 83 D CB -0.173 40.779 40.800 0.253 0.000 0.961 83 D HN 0.543 nan 8.370 nan 0.000 0.470 84 Y N -0.561 119.900 120.300 0.268 0.000 2.200 84 Y HA -0.131 4.417 4.550 -0.003 0.000 0.290 84 Y C 2.007 178.094 175.900 0.311 0.000 1.137 84 Y CA 1.490 59.724 58.100 0.223 0.000 1.163 84 Y CB -0.490 38.008 38.460 0.065 0.000 0.988 84 Y HN 0.021 nan 8.280 nan 0.000 0.518 85 F N 0.113 120.267 119.950 0.340 0.000 2.126 85 F HA -0.239 4.285 4.527 -0.004 0.000 0.299 85 F C 2.306 178.232 175.800 0.210 0.000 1.096 85 F CA 2.045 60.203 58.000 0.263 0.000 1.255 85 F CB -0.361 38.771 39.000 0.220 0.000 0.997 85 F HN -0.002 nan 8.300 nan 0.000 0.479 86 V N -2.982 117.098 119.914 0.276 0.000 2.809 86 V HA -0.198 3.920 4.120 -0.004 0.000 0.256 86 V C 1.981 178.035 176.094 -0.068 0.000 1.080 86 V CA 1.914 64.329 62.300 0.192 0.000 1.102 86 V CB -1.007 31.034 31.823 0.364 0.000 0.705 86 V HN 0.411 nan 8.190 nan 0.000 0.475 87 H N -0.736 118.260 119.070 -0.122 0.000 2.520 87 H HA 0.199 4.753 4.556 -0.003 0.000 0.279 87 H C 1.511 176.560 175.328 -0.464 0.000 0.990 87 H CA 1.450 57.249 56.048 -0.415 0.000 1.288 87 H CB 0.220 29.710 29.762 -0.453 0.000 1.446 87 H HN 0.612 nan 8.280 nan 0.000 0.538 88 H N -1.207 117.671 119.070 -0.320 0.000 2.652 88 H HA 0.071 4.625 4.556 -0.003 0.000 0.274 88 H C 1.732 176.884 175.328 -0.292 0.000 1.021 88 H CA -0.166 55.683 56.048 -0.332 0.000 1.187 88 H CB 0.567 30.045 29.762 -0.473 0.000 1.505 88 H HN 0.241 nan 8.280 nan 0.000 0.530 89 C N 1.150 120.276 119.300 -0.289 0.000 2.476 89 C HA -0.038 4.420 4.460 -0.004 0.000 0.278 89 C C -0.145 174.605 174.990 -0.400 0.000 1.274 89 C CA 0.516 59.282 59.018 -0.421 0.000 1.713 89 C CB -0.935 26.466 27.740 -0.564 0.000 2.039 89 C HN 0.407 nan 8.230 nan 0.000 0.484 90 P HA -0.039 nan 4.420 nan 0.000 0.228 90 P C 1.160 178.346 177.300 -0.191 0.000 1.151 90 P CA 1.557 64.524 63.100 -0.222 0.000 0.770 90 P CB -0.233 31.454 31.700 -0.021 0.000 0.786 91 T N -1.341 113.098 114.554 -0.191 0.000 2.901 91 T HA -0.023 4.325 4.350 -0.004 0.000 0.252 91 T C 1.623 176.232 174.700 -0.152 0.000 1.035 91 T CA 0.703 62.714 62.100 -0.148 0.000 1.142 91 T CB -0.438 68.349 68.868 -0.137 0.000 0.869 91 T HN 0.078 nan 8.240 nan 0.000 0.442 92 E N 1.216 121.324 120.200 -0.153 0.000 2.038 92 E HA -0.067 4.280 4.350 -0.004 0.000 0.195 92 E C 2.029 178.566 176.600 -0.104 0.000 1.000 92 E CA 1.210 57.551 56.400 -0.098 0.000 0.803 92 E CB -0.298 29.373 29.700 -0.048 0.000 0.750 92 E HN 0.305 nan 8.360 nan 0.000 0.448 93 M N 0.057 119.491 119.600 -0.276 0.000 2.374 93 M HA -0.053 4.425 4.480 -0.004 0.000 0.264 93 M C 2.030 178.306 176.300 -0.039 0.000 1.067 93 M CA 1.160 56.276 55.300 -0.308 0.000 1.103 93 M CB -0.474 31.443 32.600 -1.139 0.000 1.402 93 M HN -0.050 nan 8.290 nan 0.000 0.444 94 T N -1.072 113.436 114.554 -0.077 0.000 2.942 94 T HA -0.101 4.247 4.350 -0.004 0.000 0.265 94 T C 1.724 176.434 174.700 0.016 0.000 1.062 94 T CA 1.021 63.159 62.100 0.064 0.000 1.139 94 T CB -0.008 68.871 68.868 0.019 0.000 0.883 94 T HN 0.272 nan 8.240 nan 0.000 0.468 95 Q N 0.752 120.480 119.800 -0.119 0.000 2.172 95 Q HA 0.106 4.443 4.340 -0.004 0.000 0.200 95 Q C 1.860 177.629 176.000 -0.384 0.000 0.964 95 Q CA 1.069 56.656 55.803 -0.360 0.000 0.855 95 Q CB -0.623 27.782 28.738 -0.555 0.000 0.918 95 Q HN 0.334 nan 8.270 nan 0.000 0.444 96 L N 0.854 122.082 121.223 0.007 0.000 2.191 96 L HA -0.099 4.239 4.340 -0.004 0.000 0.212 96 L C 2.305 179.325 176.870 0.250 0.000 1.103 96 L CA 1.596 56.621 54.840 0.308 0.000 0.769 96 L CB -0.499 41.864 42.059 0.506 0.000 0.908 96 L HN 0.308 nan 8.230 nan 0.000 0.438 97 E N -0.347 120.039 120.200 0.309 0.000 2.150 97 E HA -0.157 4.191 4.350 -0.004 0.000 0.193 97 E C 1.861 178.511 176.600 0.084 0.000 0.985 97 E CA 0.880 57.410 56.400 0.217 0.000 0.814 97 E CB 0.095 30.022 29.700 0.380 0.000 0.752 97 E HN 0.259 nan 8.360 nan 0.000 0.466 98 L N -0.282 120.943 121.223 0.004 0.000 2.552 98 L HA -0.058 4.280 4.340 -0.004 0.000 0.227 98 L C 1.581 178.466 176.870 0.025 0.000 1.146 98 L CA 0.584 55.395 54.840 -0.048 0.000 0.858 98 L CB -1.006 40.960 42.059 -0.155 0.000 0.969 98 L HN 0.297 nan 8.230 nan 0.000 0.451 99 W N -0.391 120.931 121.300 0.036 0.000 3.211 99 W HA 0.377 5.035 4.660 -0.004 0.000 0.292 99 W C 1.514 178.015 176.519 -0.030 0.000 1.268 99 W CA 0.761 58.113 57.345 0.011 0.000 1.702 99 W CB 0.178 29.656 29.460 0.030 0.000 1.092 99 W HN 0.326 nan 8.180 nan 0.000 0.643 100 G N -0.682 108.210 108.800 0.152 0.000 2.421 100 G HA2 -0.233 3.725 3.960 -0.004 0.000 0.188 100 G HA3 -0.233 3.725 3.960 -0.004 0.000 0.188 100 G C 0.092 174.966 174.900 -0.044 0.000 1.001 100 G CA -0.287 44.840 45.100 0.044 0.000 0.693 100 G HN 0.060 nan 8.290 nan 0.000 0.479 101 C N 4.592 123.823 119.300 -0.114 0.000 2.657 101 C HA 0.528 4.986 4.460 -0.004 0.000 0.404 101 C C -1.603 173.056 174.990 -0.551 0.000 1.369 101 C CA -1.068 57.735 59.018 -0.358 0.000 1.665 101 C CB 0.032 27.429 27.740 -0.571 0.000 2.453 101 C HN 0.337 nan 8.230 nan 0.000 0.599 102 P HA 0.162 nan 4.420 nan 0.000 0.274 102 P C -0.845 176.230 177.300 -0.374 0.000 1.470 102 P CA -0.017 62.893 63.100 -0.318 0.000 1.001 102 P CB -0.192 31.388 31.700 -0.200 0.000 1.332 103 W N 1.688 122.923 121.300 -0.108 0.000 2.170 103 W HA 0.174 4.832 4.660 -0.004 0.000 0.336 103 W C 0.692 177.053 176.519 -0.263 0.000 1.283 103 W CA -0.435 56.800 57.345 -0.183 0.000 1.224 103 W CB 0.291 29.686 29.460 -0.110 0.000 1.132 103 W HN 0.215 nan 8.180 nan 0.000 0.571 104 S N 3.724 119.330 115.700 -0.157 0.000 2.549 104 S HA 0.259 4.727 4.470 -0.004 0.000 0.283 104 S C 0.240 174.726 174.600 -0.189 0.000 1.320 104 S CA -0.672 57.372 58.200 -0.260 0.000 1.058 104 S CB 0.286 63.172 63.200 -0.524 0.000 0.882 104 S HN 0.246 nan 8.310 nan 0.000 0.498 105 R N 1.928 122.364 120.500 -0.106 0.000 2.902 105 R HA 0.532 4.870 4.340 -0.004 0.000 0.258 105 R C 0.036 176.302 176.300 -0.056 0.000 1.071 105 R CA -0.851 55.202 56.100 -0.079 0.000 1.024 105 R CB 0.837 31.109 30.300 -0.047 0.000 1.184 105 R HN 0.572 nan 8.270 nan 0.000 0.492 106 R N 0.545 121.012 120.500 -0.054 0.000 2.549 106 R HA 0.267 4.605 4.340 -0.004 0.000 0.267 106 R C -1.510 174.775 176.300 -0.026 0.000 1.045 106 R CA -1.744 54.335 56.100 -0.035 0.000 1.115 106 R CB 0.219 30.492 30.300 -0.044 0.000 1.121 106 R HN 0.223 nan 8.270 nan 0.000 0.543 107 P HA -0.202 nan 4.420 nan 0.000 0.222 107 P C 0.395 177.686 177.300 -0.015 0.000 1.142 107 P CA 1.297 64.390 63.100 -0.012 0.000 0.788 107 P CB 0.089 31.785 31.700 -0.007 0.000 0.767 108 D N -1.898 118.489 120.400 -0.022 0.000 2.213 108 D HA -0.008 4.630 4.640 -0.004 0.000 0.205 108 D C 1.564 177.850 176.300 -0.023 0.000 0.961 108 D CA 1.490 55.476 54.000 -0.023 0.000 0.853 108 D CB -0.593 40.190 40.800 -0.028 0.000 0.967 108 D HN 0.239 nan 8.370 nan 0.000 0.496 109 G N 0.096 108.879 108.800 -0.028 0.000 2.296 109 G HA2 -0.186 3.772 3.960 -0.004 0.000 0.188 109 G HA3 -0.186 3.772 3.960 -0.004 0.000 0.188 109 G C 0.285 175.164 174.900 -0.035 0.000 1.000 109 G CA 0.279 45.363 45.100 -0.025 0.000 0.672 109 G HN 0.747 nan 8.290 nan 0.000 0.483 110 S N 0.231 115.898 115.700 -0.055 0.000 2.601 110 S HA 0.674 5.142 4.470 -0.004 0.000 0.271 110 S C 0.533 175.055 174.600 -0.130 0.000 1.305 110 S CA -0.261 57.889 58.200 -0.084 0.000 1.022 110 S CB 2.215 65.358 63.200 -0.096 0.000 0.940 110 S HN 1.034 nan 8.310 nan 0.000 0.525 111 V N 3.313 123.109 119.914 -0.196 0.000 2.540 111 V HA 0.066 4.184 4.120 -0.004 0.000 0.297 111 V C 0.887 176.754 176.094 -0.378 0.000 1.024 111 V CA -0.211 61.899 62.300 -0.316 0.000 1.105 111 V CB -0.460 31.024 31.823 -0.565 0.000 0.938 111 V HN 0.891 nan 8.190 nan 0.000 0.482 112 N N 3.615 122.137 118.700 -0.295 0.000 2.530 112 N HA 0.402 5.140 4.740 -0.004 0.000 0.277 112 N C -0.721 174.712 175.510 -0.129 0.000 1.168 112 N CA -0.294 52.654 53.050 -0.170 0.000 0.979 112 N CB 1.694 40.167 38.487 -0.023 0.000 1.141 112 N HN 0.546 nan 8.380 nan 0.000 0.459 113 V N 1.105 120.991 119.914 -0.048 0.000 2.540 113 V HA 0.725 4.843 4.120 -0.004 0.000 0.302 113 V C -0.140 175.988 176.094 0.057 0.000 1.035 113 V CA -1.051 61.238 62.300 -0.018 0.000 0.873 113 V CB 1.362 33.056 31.823 -0.215 0.000 0.992 113 V HN 0.757 nan 8.190 nan 0.000 0.428 114 R N 3.054 123.551 120.500 -0.005 0.000 2.854 114 R HA 0.712 5.050 4.340 -0.004 0.000 0.271 114 R C -0.720 175.549 176.300 -0.053 0.000 0.996 114 R CA -1.032 54.969 56.100 -0.165 0.000 0.961 114 R CB 2.065 32.036 30.300 -0.548 0.000 1.182 114 R HN 0.703 nan 8.270 nan 0.000 0.479 115 R N 1.089 121.576 120.500 -0.022 0.000 2.441 115 R HA 0.358 4.696 4.340 -0.004 0.000 0.284 115 R C -1.072 175.308 176.300 0.133 0.000 1.070 115 R CA -0.098 56.031 56.100 0.048 0.000 1.047 115 R CB 0.634 30.938 30.300 0.007 0.000 1.016 115 R HN 0.518 nan 8.270 nan 0.000 0.477 116 F N -0.917 119.027 119.950 -0.010 0.000 2.635 116 F HA 0.305 4.830 4.527 -0.003 0.000 0.314 116 F C 0.601 176.412 175.800 0.019 0.000 1.119 116 F CA 0.347 58.348 58.000 0.002 0.000 1.000 116 F CB 2.166 41.178 39.000 0.020 0.000 1.278 116 F HN 0.732 nan 8.300 nan 0.000 0.446 117 G N 2.139 110.916 108.800 -0.039 0.000 2.168 117 G HA2 0.081 4.039 3.960 -0.004 0.000 0.263 117 G HA3 0.081 4.039 3.960 -0.004 0.000 0.263 117 G C 0.888 175.792 174.900 0.006 0.000 0.977 117 G CA 0.598 45.714 45.100 0.026 0.000 0.659 117 G HN 2.269 nan 8.290 nan 0.000 0.533 118 G N -1.058 107.735 108.800 -0.012 0.000 2.248 118 G HA2 -0.113 3.845 3.960 -0.004 0.000 0.252 118 G HA3 -0.113 3.845 3.960 -0.004 0.000 0.252 118 G C 0.212 175.127 174.900 0.027 0.000 1.085 118 G CA 0.692 45.786 45.100 -0.011 0.000 0.845 118 G HN 1.060 nan 8.290 nan 0.000 0.494 119 M N -0.327 119.307 119.600 0.057 0.000 2.235 119 M HA 0.325 4.803 4.480 -0.004 0.000 0.351 119 M C 1.661 177.994 176.300 0.055 0.000 1.178 119 M CA -0.094 55.257 55.300 0.084 0.000 1.143 119 M CB 1.150 33.825 32.600 0.125 0.000 1.530 119 M HN 0.204 nan 8.290 nan 0.000 0.461 120 K N 2.145 122.585 120.400 0.066 0.000 2.025 120 K HA 0.015 4.332 4.320 -0.004 0.000 0.207 120 K C 0.138 176.747 176.600 0.016 0.000 1.049 120 K CA 1.019 57.330 56.287 0.041 0.000 0.933 120 K CB 0.387 32.927 32.500 0.065 0.000 0.714 120 K HN 0.483 nan 8.250 nan 0.000 0.438 121 I N 3.305 123.882 120.570 0.011 0.000 2.354 121 I HA 0.047 4.215 4.170 -0.004 0.000 0.292 121 I C -0.364 175.752 176.117 -0.003 0.000 0.989 121 I CA -0.747 60.534 61.300 -0.033 0.000 1.188 121 I CB 1.404 39.336 38.000 -0.113 0.000 1.342 121 I HN 0.281 nan 8.210 nan 0.000 0.457 122 E N 8.074 128.264 120.200 -0.017 0.000 2.328 122 E HA 0.053 4.401 4.350 -0.004 0.000 0.265 122 E C 0.051 176.642 176.600 -0.015 0.000 1.057 122 E CA -0.188 56.213 56.400 0.001 0.000 0.916 122 E CB 0.491 30.181 29.700 -0.016 0.000 0.993 122 E HN 0.741 nan 8.360 nan 0.000 0.446 123 R N 1.328 121.855 120.500 0.045 0.000 2.569 123 R HA 0.193 4.531 4.340 -0.004 0.000 0.422 123 R C -0.519 175.934 176.300 0.255 0.000 0.980 123 R CA -0.583 55.563 56.100 0.076 0.000 1.164 123 R CB 0.025 30.334 30.300 0.014 0.000 1.520 123 R HN 0.202 nan 8.270 nan 0.000 0.567 124 T N 2.081 116.760 114.554 0.208 0.000 2.814 124 T HA 0.180 4.528 4.350 -0.004 0.000 0.297 124 T C -1.013 173.889 174.700 0.338 0.000 0.956 124 T CA 0.101 62.373 62.100 0.287 0.000 1.123 124 T CB 0.319 69.308 68.868 0.202 0.000 0.902 124 T HN 0.158 nan 8.240 nan 0.000 0.528 125 W N 4.956 126.241 121.300 -0.025 0.000 2.438 125 W HA 0.637 5.295 4.660 -0.003 0.000 0.324 125 W C -0.310 176.276 176.519 0.111 0.000 1.119 125 W CA -1.441 55.847 57.345 -0.096 0.000 1.221 125 W CB 0.215 29.363 29.460 -0.519 0.000 1.253 125 W HN 0.624 nan 8.180 nan 0.000 0.555 126 F N -0.047 119.984 119.950 0.135 0.000 2.654 126 F HA 0.821 5.346 4.527 -0.004 0.000 0.308 126 F C -0.814 175.220 175.800 0.389 0.000 1.108 126 F CA -1.948 56.192 58.000 0.233 0.000 0.957 126 F CB 1.279 40.346 39.000 0.112 0.000 1.309 126 F HN 0.385 nan 8.300 nan 0.000 0.446 127 A N 3.037 126.025 122.820 0.281 0.000 2.644 127 A HA 0.789 5.107 4.320 -0.004 0.000 0.343 127 A C 0.703 178.315 177.584 0.047 0.000 1.324 127 A CA -0.070 51.978 52.037 0.018 0.000 0.846 127 A CB -0.314 18.615 19.000 -0.118 0.000 1.128 127 A HN 2.509 nan 8.150 nan 0.000 0.484 128 A N 1.763 124.627 122.820 0.072 0.000 5.318 128 A HA -0.367 3.951 4.320 -0.004 0.000 0.329 128 A C 1.417 179.168 177.584 0.278 0.000 1.789 128 A CA 2.248 54.418 52.037 0.222 0.000 0.711 128 A CB -1.522 17.531 19.000 0.088 0.000 1.398 128 A HN 1.056 nan 8.150 nan 0.000 0.392 129 D N -1.272 119.235 120.400 0.177 0.000 2.367 129 D HA 0.130 4.768 4.640 -0.004 0.000 0.207 129 D C 0.754 177.114 176.300 0.100 0.000 1.034 129 D CA 1.075 55.158 54.000 0.138 0.000 0.861 129 D CB 0.028 40.902 40.800 0.125 0.000 0.943 129 D HN 0.326 nan 8.370 nan 0.000 0.515 130 K N 0.223 120.729 120.400 0.178 0.000 3.010 130 K HA 0.207 4.525 4.320 -0.004 0.000 0.211 130 K C 0.770 177.601 176.600 0.386 0.000 1.146 130 K CA -0.022 56.426 56.287 0.268 0.000 1.070 130 K CB 0.725 33.448 32.500 0.372 0.000 0.908 130 K HN 0.045 nan 8.250 nan 0.000 0.463 131 T N -0.349 114.362 114.554 0.261 0.000 2.652 131 T HA -0.142 4.206 4.350 -0.004 0.000 0.267 131 T C 1.915 176.766 174.700 0.251 0.000 1.039 131 T CA 1.981 64.250 62.100 0.282 0.000 1.153 131 T CB -0.048 69.008 68.868 0.314 0.000 0.863 131 T HN 0.499 nan 8.240 nan 0.000 0.428 132 G N 0.683 109.596 108.800 0.188 0.000 2.422 132 G HA2 -0.163 3.795 3.960 -0.004 0.000 0.218 132 G HA3 -0.163 3.795 3.960 -0.004 0.000 0.218 132 G C 1.376 176.374 174.900 0.163 0.000 1.146 132 G CA 0.582 45.770 45.100 0.147 0.000 0.769 132 G HN 0.500 nan 8.290 nan 0.000 0.547 133 F N 0.942 120.920 119.950 0.047 0.000 2.102 133 F HA -0.070 4.455 4.527 -0.003 0.000 0.298 133 F C 2.578 178.384 175.800 0.011 0.000 1.105 133 F CA 1.930 59.936 58.000 0.011 0.000 1.239 133 F CB -0.392 38.559 39.000 -0.082 0.000 0.991 133 F HN 0.190 nan 8.300 nan 0.000 0.474 134 H N -0.027 118.920 119.070 -0.204 0.000 2.357 134 H HA -0.099 4.455 4.556 -0.004 0.000 0.301 134 H C 2.353 177.533 175.328 -0.246 0.000 1.082 134 H CA 1.955 57.791 56.048 -0.355 0.000 1.342 134 H CB -0.250 29.418 29.762 -0.157 0.000 1.389 134 H HN 0.354 nan 8.280 nan 0.000 0.511 135 M N 0.097 119.707 119.600 0.017 0.000 2.117 135 M HA -0.156 4.322 4.480 -0.004 0.000 0.262 135 M C 2.508 178.837 176.300 0.048 0.000 1.065 135 M CA 0.914 56.249 55.300 0.059 0.000 1.114 135 M CB -0.220 32.488 32.600 0.181 0.000 1.361 135 M HN 0.203 nan 8.290 nan 0.000 0.408 136 L N -0.242 120.999 121.223 0.031 0.000 2.017 136 L HA -0.232 4.105 4.340 -0.004 0.000 0.208 136 L C 2.099 178.981 176.870 0.020 0.000 1.073 136 L CA 2.288 57.150 54.840 0.036 0.000 0.745 136 L CB -1.025 41.067 42.059 0.054 0.000 0.894 136 L HN 0.274 nan 8.230 nan 0.000 0.432 137 H N -0.815 118.136 119.070 -0.197 0.000 2.357 137 H HA -0.124 4.430 4.556 -0.003 0.000 0.301 137 H C 2.238 177.516 175.328 -0.082 0.000 1.082 137 H CA 2.051 58.023 56.048 -0.126 0.000 1.342 137 H CB -0.322 29.189 29.762 -0.417 0.000 1.389 137 H HN 0.270 nan 8.280 nan 0.000 0.511 138 T N -0.470 114.074 114.554 -0.016 0.000 2.867 138 T HA -0.091 4.257 4.350 -0.004 0.000 0.268 138 T C 1.854 176.504 174.700 -0.083 0.000 1.057 138 T CA 0.810 62.886 62.100 -0.040 0.000 1.136 138 T CB -0.224 68.634 68.868 -0.017 0.000 0.874 138 T HN 0.058 nan 8.240 nan 0.000 0.466 139 L N 0.219 121.408 121.223 -0.058 0.000 2.095 139 L HA 0.169 4.507 4.340 -0.004 0.000 0.204 139 L C 1.993 178.774 176.870 -0.148 0.000 1.080 139 L CA 1.286 56.028 54.840 -0.163 0.000 0.759 139 L CB -0.747 41.279 42.059 -0.055 0.000 0.914 139 L HN 0.351 nan 8.230 nan 0.000 0.439 140 F N 0.438 120.285 119.950 -0.173 0.000 2.134 140 F HA -0.231 4.294 4.527 -0.004 0.000 0.299 140 F C 2.389 178.092 175.800 -0.163 0.000 1.097 140 F CA 1.584 59.485 58.000 -0.164 0.000 1.264 140 F CB -0.519 38.366 39.000 -0.191 0.000 1.001 140 F HN 0.103 nan 8.300 nan 0.000 0.479 141 Q N -0.373 119.038 119.800 -0.648 0.000 2.364 141 Q HA -0.114 4.224 4.340 -0.004 0.000 0.207 141 Q C 1.785 177.491 176.000 -0.491 0.000 0.970 141 Q CA 1.762 57.145 55.803 -0.699 0.000 0.888 141 Q CB -0.219 28.295 28.738 -0.374 0.000 0.951 141 Q HN 0.431 nan 8.270 nan 0.000 0.469 142 T N -0.720 113.579 114.554 -0.425 0.000 3.043 142 T HA -0.073 4.275 4.350 -0.004 0.000 0.263 142 T C 1.800 176.291 174.700 -0.349 0.000 1.094 142 T CA 0.859 62.699 62.100 -0.433 0.000 1.127 142 T CB -0.009 68.475 68.868 -0.640 0.000 0.905 142 T HN 0.241 nan 8.240 nan 0.000 0.490 143 S N 1.599 117.132 115.700 -0.278 0.000 2.400 143 S HA -0.043 4.425 4.470 -0.004 0.000 0.232 143 S C 1.911 176.441 174.600 -0.116 0.000 1.025 143 S CA 0.840 58.975 58.200 -0.108 0.000 0.993 143 S CB -0.534 62.666 63.200 -0.002 0.000 0.808 143 S HN 0.534 nan 8.310 nan 0.000 0.478 144 L N 0.828 121.901 121.223 -0.250 0.000 2.313 144 L HA 0.040 4.378 4.340 -0.004 0.000 0.214 144 L C 2.836 179.570 176.870 -0.226 0.000 1.119 144 L CA 1.101 55.817 54.840 -0.206 0.000 0.809 144 L CB -0.636 41.272 42.059 -0.251 0.000 0.933 144 L HN 0.426 nan 8.230 nan 0.000 0.449 145 Q N 1.164 120.740 119.800 -0.372 0.000 2.061 145 Q HA -0.145 4.193 4.340 -0.004 0.000 0.204 145 Q C 0.087 175.782 176.000 -0.508 0.000 0.984 145 Q CA 1.403 56.884 55.803 -0.536 0.000 0.846 145 Q CB 0.009 28.239 28.738 -0.847 0.000 0.902 145 Q HN 0.395 nan 8.270 nan 0.000 0.421 146 F N 0.711 120.623 119.950 -0.065 0.000 2.404 146 F HA 0.281 4.806 4.527 -0.004 0.000 0.358 146 F C -1.782 173.997 175.800 -0.035 0.000 1.120 146 F CA -2.482 55.495 58.000 -0.038 0.000 1.144 146 F CB 1.085 40.068 39.000 -0.029 0.000 1.133 146 F HN 0.080 nan 8.300 nan 0.000 0.495 147 P HA -0.041 nan 4.420 nan 0.000 0.245 147 P C 0.790 178.131 177.300 0.068 0.000 1.212 147 P CA 0.626 63.759 63.100 0.056 0.000 0.774 147 P CB 0.154 31.871 31.700 0.029 0.000 0.999 148 Q N -0.231 119.630 119.800 0.101 0.000 2.124 148 Q HA -0.065 4.273 4.340 -0.004 0.000 0.202 148 Q C 0.549 176.591 176.000 0.070 0.000 0.977 148 Q CA 0.909 56.758 55.803 0.076 0.000 0.850 148 Q CB -0.789 27.986 28.738 0.061 0.000 0.901 148 Q HN 0.281 nan 8.270 nan 0.000 0.429 149 I N 1.565 122.181 120.570 0.077 0.000 2.517 149 I HA -0.025 4.142 4.170 -0.004 0.000 0.285 149 I C 0.267 176.399 176.117 0.025 0.000 1.106 149 I CA 0.022 61.362 61.300 0.065 0.000 1.402 149 I CB 0.390 38.434 38.000 0.074 0.000 1.399 149 I HN 0.063 nan 8.210 nan 0.000 0.535 150 Q N 7.085 126.892 119.800 0.011 0.000 2.256 150 Q HA 0.402 4.740 4.340 -0.004 0.000 0.254 150 Q C -0.670 175.196 176.000 -0.224 0.000 0.916 150 Q CA -0.546 55.154 55.803 -0.172 0.000 0.932 150 Q CB 1.293 29.859 28.738 -0.287 0.000 1.207 150 Q HN 0.517 nan 8.270 nan 0.000 0.426 151 R N 3.291 123.601 120.500 -0.318 0.000 2.295 151 R HA 0.370 4.708 4.340 -0.004 0.000 0.324 151 R C -0.851 175.210 176.300 -0.399 0.000 0.968 151 R CA -0.396 55.594 56.100 -0.183 0.000 0.837 151 R CB 0.770 31.043 30.300 -0.045 0.000 1.133 151 R HN 0.333 nan 8.270 nan 0.000 0.450 152 F N 2.162 121.981 119.950 -0.218 0.000 2.308 152 F HA 0.276 4.800 4.527 -0.005 0.000 0.370 152 F C 0.104 175.762 175.800 -0.237 0.000 1.100 152 F CA -1.083 56.711 58.000 -0.343 0.000 1.108 152 F CB 0.819 39.489 39.000 -0.549 0.000 1.293 152 F HN 0.243 nan 8.300 nan 0.000 0.478 153 D N 2.118 122.503 120.400 -0.025 0.000 2.193 153 D HA 0.197 4.835 4.640 -0.004 0.000 0.249 153 D C 0.059 176.340 176.300 -0.031 0.000 1.034 153 D CA -0.436 53.492 54.000 -0.121 0.000 0.902 153 D CB 0.943 41.604 40.800 -0.231 0.000 1.182 153 D HN 0.501 nan 8.370 nan 0.000 0.436 154 E N 0.824 120.892 120.200 -0.220 0.000 2.369 154 E HA -0.257 4.091 4.350 -0.004 0.000 0.165 154 E C -0.938 175.722 176.600 0.100 0.000 1.622 154 E CA 0.778 57.139 56.400 -0.065 0.000 0.660 154 E CB -0.971 28.696 29.700 -0.056 0.000 1.085 154 E HN 0.416 nan 8.360 nan 0.000 0.346 155 H N 0.022 119.089 119.070 -0.004 0.000 2.782 155 H HA 0.463 5.017 4.556 -0.003 0.000 0.347 155 H C -0.988 174.371 175.328 0.051 0.000 1.038 155 H CA -0.496 55.571 56.048 0.032 0.000 1.255 155 H CB 0.920 30.684 29.762 0.004 0.000 1.623 155 H HN 0.206 nan 8.280 nan 0.000 0.525 156 F N 3.399 123.311 119.950 -0.063 0.000 2.470 156 F HA 0.650 5.175 4.527 -0.004 0.000 0.329 156 F C -0.842 174.916 175.800 -0.069 0.000 1.072 156 F CA -0.616 57.329 58.000 -0.091 0.000 0.989 156 F CB 1.074 39.992 39.000 -0.137 0.000 1.193 156 F HN 0.257 nan 8.300 nan 0.000 0.481 157 V N 6.000 125.535 119.914 -0.632 0.000 2.769 157 V HA 0.383 4.501 4.120 -0.004 0.000 0.312 157 V C 0.018 175.898 176.094 -0.357 0.000 1.061 157 V CA -0.578 61.499 62.300 -0.370 0.000 0.931 157 V CB 1.714 33.332 31.823 -0.342 0.000 1.010 157 V HN 0.862 nan 8.190 nan 0.000 0.433 158 L N 0.975 122.140 121.223 -0.098 0.000 2.694 158 L HA 0.540 4.878 4.340 -0.004 0.000 0.228 158 L C 0.183 177.077 176.870 0.041 0.000 1.048 158 L CA 0.369 55.231 54.840 0.037 0.000 0.887 158 L CB 0.597 42.716 42.059 0.100 0.000 1.265 158 L HN 0.806 nan 8.230 nan 0.000 0.492 159 D N -0.207 120.189 120.400 -0.007 0.000 2.663 159 D HA 0.451 5.088 4.640 -0.004 0.000 0.233 159 D C -1.042 175.232 176.300 -0.043 0.000 1.240 159 D CA -0.616 53.380 54.000 -0.005 0.000 0.774 159 D CB 1.794 42.604 40.800 0.017 0.000 1.443 159 D HN 0.141 nan 8.370 nan 0.000 0.441 160 I N -0.927 119.611 120.570 -0.054 0.000 3.062 160 I HA 0.686 4.854 4.170 -0.004 0.000 0.316 160 I C -0.940 175.138 176.117 -0.065 0.000 1.041 160 I CA -1.055 60.194 61.300 -0.085 0.000 1.069 160 I CB 1.382 39.299 38.000 -0.138 0.000 1.300 160 I HN 0.298 nan 8.210 nan 0.000 0.518 161 L N 3.786 124.959 121.223 -0.083 0.000 2.406 161 L HA 0.667 5.005 4.340 -0.004 0.000 0.272 161 L C -0.627 176.210 176.870 -0.055 0.000 0.980 161 L CA -0.868 53.944 54.840 -0.047 0.000 0.831 161 L CB 1.628 43.671 42.059 -0.027 0.000 1.253 161 L HN 0.543 nan 8.230 nan 0.000 0.406 162 V N 1.483 121.396 119.914 -0.001 0.000 2.581 162 V HA 0.609 4.727 4.120 -0.004 0.000 0.303 162 V C -1.169 174.967 176.094 0.070 0.000 1.041 162 V CA 0.029 62.365 62.300 0.061 0.000 0.907 162 V CB 2.277 34.258 31.823 0.264 0.000 0.994 162 V HN 0.816 nan 8.190 nan 0.000 0.442 163 D N 2.334 122.783 120.400 0.081 0.000 2.525 163 D HA 0.399 5.037 4.640 -0.004 0.000 0.249 163 D C -1.040 175.305 176.300 0.076 0.000 1.072 163 D CA -0.402 53.640 54.000 0.070 0.000 1.067 163 D CB 1.769 42.610 40.800 0.068 0.000 1.282 163 D HN 0.644 nan 8.370 nan 0.000 0.587 164 D N -0.228 120.203 120.400 0.051 0.000 2.412 164 D HA 0.387 5.025 4.640 -0.004 0.000 0.257 164 D C 1.194 177.528 176.300 0.057 0.000 1.217 164 D CA 1.231 55.253 54.000 0.037 0.000 0.897 164 D CB 0.597 41.409 40.800 0.020 0.000 1.132 164 D HN 0.618 nan 8.370 nan 0.000 0.493 165 G N 1.968 110.801 108.800 0.054 0.000 2.268 165 G HA2 -0.236 3.721 3.960 -0.004 0.000 0.240 165 G HA3 -0.236 3.721 3.960 -0.004 0.000 0.240 165 G C 0.383 175.381 174.900 0.164 0.000 1.010 165 G CA 0.297 45.443 45.100 0.077 0.000 0.618 165 G HN 0.738 nan 8.290 nan 0.000 0.516 166 H N -1.426 117.672 119.070 0.046 0.000 3.042 166 H HA 0.501 5.055 4.556 -0.003 0.000 0.346 166 H C -1.143 174.220 175.328 0.059 0.000 1.294 166 H CA 0.157 56.238 56.048 0.054 0.000 1.141 166 H CB 1.929 31.710 29.762 0.032 0.000 1.872 166 H HN 0.562 nan 8.280 nan 0.000 0.541 167 V N 4.499 124.246 119.914 -0.278 0.000 2.394 167 V HA 0.322 4.440 4.120 -0.004 0.000 0.282 167 V C 0.580 176.687 176.094 0.022 0.000 1.031 167 V CA -0.194 62.010 62.300 -0.160 0.000 0.881 167 V CB 1.134 32.742 31.823 -0.359 0.000 0.982 167 V HN 0.728 nan 8.190 nan 0.000 0.451 168 R N 4.516 125.043 120.500 0.045 0.000 2.075 168 R HA 0.337 4.675 4.340 -0.004 0.000 0.220 168 R C 0.792 177.112 176.300 0.033 0.000 1.118 168 R CA 1.013 57.157 56.100 0.074 0.000 0.986 168 R CB 0.234 30.567 30.300 0.056 0.000 0.884 168 R HN 0.811 nan 8.270 nan 0.000 0.439 169 G N 0.670 109.466 108.800 -0.006 0.000 2.695 169 G HA2 0.497 4.455 3.960 -0.004 0.000 0.290 169 G HA3 0.497 4.455 3.960 -0.004 0.000 0.290 169 G C -1.649 173.219 174.900 -0.053 0.000 1.410 169 G CA -0.712 44.376 45.100 -0.021 0.000 0.844 169 G HN 0.092 nan 8.290 nan 0.000 0.478 170 L N -1.260 119.924 121.223 -0.066 0.000 2.346 170 L HA 0.859 5.197 4.340 -0.004 0.000 0.276 170 L C -0.672 176.158 176.870 -0.067 0.000 1.006 170 L CA -1.170 53.618 54.840 -0.087 0.000 0.817 170 L CB 2.168 44.153 42.059 -0.124 0.000 1.272 170 L HN 0.241 nan 8.230 nan 0.000 0.421 171 V N 3.773 123.653 119.914 -0.055 0.000 2.320 171 V HA 0.749 4.867 4.120 -0.004 0.000 0.265 171 V C 0.822 176.899 176.094 -0.028 0.000 1.048 171 V CA 0.134 62.418 62.300 -0.027 0.000 0.865 171 V CB 0.259 32.076 31.823 -0.010 0.000 1.043 171 V HN 1.064 nan 8.190 nan 0.000 0.474 172 A N 5.875 128.689 122.820 -0.009 0.000 2.269 172 A HA 0.935 5.253 4.320 -0.004 0.000 0.319 172 A C -0.368 177.263 177.584 0.079 0.000 1.110 172 A CA -0.702 51.352 52.037 0.028 0.000 0.847 172 A CB 1.386 20.416 19.000 0.051 0.000 1.161 172 A HN 0.821 nan 8.150 nan 0.000 0.497 173 M N 2.139 121.788 119.600 0.081 0.000 2.197 173 M HA 0.274 4.752 4.480 -0.004 0.000 0.301 173 M C -0.766 175.413 176.300 -0.201 0.000 0.987 173 M CA -0.621 54.686 55.300 0.013 0.000 0.921 173 M CB 1.168 33.795 32.600 0.046 0.000 1.569 173 M HN 0.788 nan 8.290 nan 0.000 0.431 174 N N 4.881 123.354 118.700 -0.378 0.000 2.434 174 N HA 0.040 4.778 4.740 -0.004 0.000 0.268 174 N C 0.537 175.857 175.510 -0.316 0.000 1.256 174 N CA 0.497 53.095 53.050 -0.753 0.000 0.914 174 N CB 0.659 38.961 38.487 -0.309 0.000 1.088 174 N HN 0.902 nan 8.380 nan 0.000 0.478 175 M N 3.184 122.629 119.600 -0.258 0.000 2.059 175 M HA -0.205 4.273 4.480 -0.004 0.000 0.259 175 M C 2.109 178.470 176.300 0.101 0.000 1.072 175 M CA 1.899 57.161 55.300 -0.063 0.000 1.117 175 M CB -0.129 32.495 32.600 0.040 0.000 1.320 175 M HN 0.634 nan 8.290 nan 0.000 0.408 176 M N -0.346 119.367 119.600 0.189 0.000 2.156 176 M HA -0.167 4.311 4.480 -0.004 0.000 0.264 176 M C 1.861 178.220 176.300 0.098 0.000 1.067 176 M CA 1.482 56.908 55.300 0.210 0.000 1.131 176 M CB 0.040 32.704 32.600 0.107 0.000 1.368 176 M HN 0.085 nan 8.290 nan 0.000 0.416 177 E N -0.470 119.753 120.200 0.038 0.000 2.112 177 E HA -0.008 4.340 4.350 -0.004 0.000 0.190 177 E C 1.561 178.169 176.600 0.013 0.000 0.979 177 E CA 1.187 57.604 56.400 0.027 0.000 0.814 177 E CB -0.084 29.633 29.700 0.028 0.000 0.762 177 E HN 0.710 nan 8.360 nan 0.000 0.460 178 G N 1.620 110.412 108.800 -0.014 0.000 2.176 178 G HA2 -0.293 3.665 3.960 -0.004 0.000 0.253 178 G HA3 -0.293 3.665 3.960 -0.004 0.000 0.253 178 G C 0.675 175.563 174.900 -0.019 0.000 0.979 178 G CA 0.845 45.929 45.100 -0.026 0.000 0.641 178 G HN 0.403 nan 8.290 nan 0.000 0.530 179 T N -0.341 114.210 114.554 -0.005 0.000 2.868 179 T HA 0.671 5.019 4.350 -0.004 0.000 0.292 179 T C 0.353 175.064 174.700 0.018 0.000 1.028 179 T CA -0.490 61.618 62.100 0.014 0.000 1.059 179 T CB 2.017 70.906 68.868 0.035 0.000 0.991 179 T HN 0.572 nan 8.240 nan 0.000 0.531 180 L N 1.899 123.140 121.223 0.030 0.000 2.317 180 L HA 0.787 5.125 4.340 -0.004 0.000 0.281 180 L C -0.072 176.833 176.870 0.058 0.000 1.024 180 L CA -1.062 53.802 54.840 0.039 0.000 0.810 180 L CB 1.582 43.659 42.059 0.030 0.000 1.240 180 L HN 0.495 nan 8.230 nan 0.000 0.427 181 V N 2.416 122.373 119.914 0.072 0.000 3.102 181 V HA 0.516 4.634 4.120 -0.004 0.000 0.312 181 V C -1.218 174.911 176.094 0.059 0.000 1.135 181 V CA -0.379 61.973 62.300 0.087 0.000 1.022 181 V CB 2.582 34.487 31.823 0.137 0.000 1.056 181 V HN 0.901 nan 8.190 nan 0.000 0.436 182 Q N 2.330 122.168 119.800 0.063 0.000 2.356 182 Q HA 0.696 5.034 4.340 -0.004 0.000 0.270 182 Q C -2.064 173.968 176.000 0.054 0.000 1.058 182 Q CA -0.643 55.183 55.803 0.039 0.000 0.802 182 Q CB 2.063 30.824 28.738 0.038 0.000 1.303 182 Q HN 0.675 nan 8.270 nan 0.000 0.444 183 I N 3.559 124.135 120.570 0.010 0.000 2.476 183 I HA 0.370 4.538 4.170 -0.004 0.000 0.281 183 I C -0.598 175.527 176.117 0.013 0.000 1.040 183 I CA -0.504 60.809 61.300 0.022 0.000 1.094 183 I CB 1.452 39.389 38.000 -0.106 0.000 1.219 183 I HN 0.414 nan 8.210 nan 0.000 0.450 184 R N 4.861 125.389 120.500 0.046 0.000 2.298 184 R HA 0.811 5.149 4.340 -0.004 0.000 0.310 184 R C -0.452 175.872 176.300 0.040 0.000 1.068 184 R CA -0.425 55.696 56.100 0.035 0.000 0.957 184 R CB 1.219 31.539 30.300 0.033 0.000 1.003 184 R HN 0.705 nan 8.270 nan 0.000 0.454 185 A N 2.917 125.760 122.820 0.039 0.000 2.513 185 A HA 0.248 4.566 4.320 -0.004 0.000 0.296 185 A C -0.402 177.242 177.584 0.100 0.000 1.052 185 A CA -0.872 51.197 52.037 0.053 0.000 0.714 185 A CB 1.158 20.180 19.000 0.036 0.000 1.279 185 A HN 0.607 nan 8.150 nan 0.000 0.397 186 N N 1.008 119.770 118.700 0.104 0.000 2.416 186 N HA 0.391 5.129 4.740 -0.004 0.000 0.215 186 N C -0.157 175.557 175.510 0.339 0.000 1.208 186 N CA 1.068 54.219 53.050 0.169 0.000 0.834 186 N CB 0.574 39.026 38.487 -0.059 0.000 1.072 186 N HN 1.022 nan 8.380 nan 0.000 0.472 187 A N -0.512 122.467 122.820 0.265 0.000 2.512 187 A HA 0.438 4.756 4.320 -0.004 0.000 0.290 187 A C -1.292 176.371 177.584 0.131 0.000 1.041 187 A CA -0.547 51.635 52.037 0.241 0.000 0.911 187 A CB 0.733 19.810 19.000 0.129 0.000 1.407 187 A HN -0.072 nan 8.150 nan 0.000 0.398 188 V N 3.459 123.466 119.914 0.154 0.000 2.409 188 V HA 0.473 4.590 4.120 -0.004 0.000 0.290 188 V C -0.053 176.124 176.094 0.138 0.000 1.017 188 V CA -0.599 61.742 62.300 0.068 0.000 0.841 188 V CB 1.491 33.301 31.823 -0.022 0.000 1.003 188 V HN 0.772 nan 8.190 nan 0.000 0.426 189 V N 5.012 124.967 119.914 0.068 0.000 2.644 189 V HA 0.561 4.679 4.120 -0.004 0.000 0.295 189 V C -0.064 176.049 176.094 0.033 0.000 1.053 189 V CA -0.586 61.767 62.300 0.088 0.000 0.987 189 V CB 1.636 33.463 31.823 0.008 0.000 1.006 189 V HN 0.891 nan 8.190 nan 0.000 0.472 190 M N 4.112 123.738 119.600 0.043 0.000 2.085 190 M HA 0.725 5.203 4.480 -0.004 0.000 0.309 190 M C -0.453 175.827 176.300 -0.034 0.000 0.947 190 M CA -0.208 55.078 55.300 -0.024 0.000 0.918 190 M CB 1.302 33.872 32.600 -0.050 0.000 1.504 190 M HN 0.802 nan 8.290 nan 0.000 0.420 191 A N 3.910 126.699 122.820 -0.052 0.000 2.536 191 A HA 0.705 5.022 4.320 -0.004 0.000 0.329 191 A C -0.202 177.334 177.584 -0.079 0.000 1.321 191 A CA -0.393 51.608 52.037 -0.061 0.000 0.804 191 A CB 0.124 19.102 19.000 -0.036 0.000 1.126 191 A HN 0.787 nan 8.150 nan 0.000 0.480 192 T N -0.964 113.530 114.554 -0.101 0.000 2.718 192 T HA 0.793 5.141 4.350 -0.004 0.000 0.267 192 T C 0.715 175.350 174.700 -0.109 0.000 0.957 192 T CA -0.191 61.840 62.100 -0.116 0.000 1.025 192 T CB 0.753 69.525 68.868 -0.159 0.000 1.355 192 T HN 1.056 nan 8.240 nan 0.000 0.572 193 G N -1.074 107.657 108.800 -0.114 0.000 2.491 193 G HA2 0.437 4.395 3.960 -0.004 0.000 0.242 193 G HA3 0.437 4.395 3.960 -0.004 0.000 0.242 193 G C 0.737 175.558 174.900 -0.132 0.000 1.266 193 G CA -0.395 44.636 45.100 -0.114 0.000 0.844 193 G HN 1.121 nan 8.290 nan 0.000 0.571 194 G N -0.029 108.678 108.800 -0.155 0.000 3.609 194 G HA2 0.518 4.476 3.960 -0.004 0.000 0.280 194 G HA3 0.518 4.476 3.960 -0.004 0.000 0.280 194 G C 0.957 175.771 174.900 -0.143 0.000 1.155 194 G CA 0.797 45.791 45.100 -0.176 0.000 0.876 194 G HN 1.965 nan 8.290 nan 0.000 0.535 195 A N -0.894 121.865 122.820 -0.101 0.000 2.519 195 A HA -0.050 4.268 4.320 -0.004 0.000 0.297 195 A C 1.809 179.390 177.584 -0.006 0.000 1.472 195 A CA 1.359 53.366 52.037 -0.049 0.000 0.739 195 A CB -1.457 17.516 19.000 -0.045 0.000 1.096 195 A HN 1.215 nan 8.150 nan 0.000 0.414 196 G N -0.686 108.095 108.800 -0.031 0.000 2.492 196 G HA2 -0.019 3.939 3.960 -0.004 0.000 0.214 196 G HA3 -0.019 3.939 3.960 -0.004 0.000 0.214 196 G C 1.291 176.250 174.900 0.099 0.000 1.147 196 G CA 0.620 45.724 45.100 0.008 0.000 0.809 196 G HN 0.582 nan 8.290 nan 0.000 0.533 197 R N 0.816 121.354 120.500 0.063 0.000 2.293 197 R HA -0.061 4.277 4.340 -0.004 0.000 0.219 197 R C 2.727 179.080 176.300 0.089 0.000 1.091 197 R CA 1.206 57.359 56.100 0.088 0.000 1.004 197 R CB -0.442 29.916 30.300 0.096 0.000 0.865 197 R HN 0.485 nan 8.270 nan 0.000 0.469 198 V N -2.000 117.957 119.914 0.072 0.000 2.407 198 V HA -0.166 3.951 4.120 -0.004 0.000 0.248 198 V C 1.083 177.134 176.094 -0.072 0.000 1.055 198 V CA 0.953 63.242 62.300 -0.018 0.000 1.049 198 V CB -0.909 30.860 31.823 -0.090 0.000 0.662 198 V HN -0.041 nan 8.190 nan 0.000 0.455 199 Y N 0.327 120.603 120.300 -0.040 0.000 2.330 199 Y HA 0.326 4.874 4.550 -0.004 0.000 0.341 199 Y C 1.999 177.845 175.900 -0.090 0.000 1.278 199 Y CA 0.555 58.624 58.100 -0.051 0.000 1.453 199 Y CB 0.356 38.793 38.460 -0.038 0.000 1.342 199 Y HN -0.053 nan 8.280 nan 0.000 0.590 200 R N 0.204 120.701 120.500 -0.004 0.000 2.075 200 R HA 0.056 4.394 4.340 -0.004 0.000 0.220 200 R C -0.705 175.425 176.300 -0.283 0.000 1.118 200 R CA 0.647 56.590 56.100 -0.262 0.000 0.986 200 R CB 0.046 30.023 30.300 -0.538 0.000 0.884 200 R HN 0.693 nan 8.270 nan 0.000 0.439 201 Y N 2.080 122.436 120.300 0.093 0.000 2.356 201 Y HA 0.290 4.838 4.550 -0.003 0.000 0.334 201 Y C -0.404 175.505 175.900 0.016 0.000 0.958 201 Y CA -1.190 56.936 58.100 0.043 0.000 1.196 201 Y CB 1.088 39.561 38.460 0.022 0.000 1.137 201 Y HN 0.255 nan 8.280 nan 0.000 0.485 202 N N -0.837 117.956 118.700 0.155 0.000 3.020 202 N HA 0.054 4.792 4.740 -0.004 0.000 0.248 202 N C 0.228 175.778 175.510 0.066 0.000 1.480 202 N CA -0.644 52.439 53.050 0.055 0.000 0.874 202 N CB 1.017 39.513 38.487 0.014 0.000 1.433 202 N HN 0.348 nan 8.380 nan 0.000 0.530 203 T N -1.229 113.362 114.554 0.062 0.000 2.962 203 T HA 0.003 4.351 4.350 -0.004 0.000 0.270 203 T C -0.059 174.729 174.700 0.147 0.000 1.088 203 T CA 0.871 63.028 62.100 0.096 0.000 1.127 203 T CB -0.759 68.195 68.868 0.142 0.000 0.883 203 T HN 0.493 nan 8.240 nan 0.000 0.493 204 N N 1.283 120.063 118.700 0.133 0.000 2.479 204 N HA 0.502 5.240 4.740 -0.004 0.000 0.257 204 N C 0.208 175.803 175.510 0.141 0.000 1.232 204 N CA 0.471 53.609 53.050 0.146 0.000 0.920 204 N CB 0.888 39.409 38.487 0.057 0.000 1.105 204 N HN 0.466 nan 8.380 nan 0.000 0.444 205 G N -1.268 107.633 108.800 0.169 0.000 2.597 205 G HA2 0.466 4.424 3.960 -0.004 0.000 0.317 205 G HA3 0.466 4.424 3.960 -0.004 0.000 0.317 205 G C 0.787 175.800 174.900 0.187 0.000 1.230 205 G CA -0.763 44.436 45.100 0.165 0.000 0.996 205 G HN 0.522 nan 8.290 nan 0.000 0.490 206 G N -0.911 108.037 108.800 0.246 0.000 2.843 206 G HA2 0.047 4.005 3.960 -0.004 0.000 0.205 206 G HA3 0.047 4.005 3.960 -0.004 0.000 0.205 206 G C 1.201 176.251 174.900 0.250 0.000 1.160 206 G CA 1.260 46.578 45.100 0.363 0.000 0.819 206 G HN 0.765 nan 8.290 nan 0.000 0.516 207 I N -3.881 116.784 120.570 0.158 0.000 3.790 207 I HA 0.288 4.456 4.170 -0.004 0.000 0.305 207 I C 1.012 177.145 176.117 0.027 0.000 1.253 207 I CA 0.233 61.579 61.300 0.076 0.000 1.355 207 I CB 0.703 38.762 38.000 0.099 0.000 1.137 207 I HN -0.162 nan 8.210 nan 0.000 0.435 208 V N 2.141 122.072 119.914 0.029 0.000 3.140 208 V HA 0.128 4.246 4.120 -0.004 0.000 0.379 208 V C 1.279 177.346 176.094 -0.045 0.000 1.296 208 V CA 0.703 62.979 62.300 -0.040 0.000 1.351 208 V CB -1.085 30.666 31.823 -0.119 0.000 1.311 208 V HN 0.444 nan 8.190 nan 0.000 0.508 209 T N 0.392 114.938 114.554 -0.013 0.000 3.118 209 T HA 0.118 4.466 4.350 -0.004 0.000 0.260 209 T C 1.728 176.411 174.700 -0.028 0.000 1.139 209 T CA 0.845 62.948 62.100 0.005 0.000 1.085 209 T CB -0.004 68.896 68.868 0.052 0.000 0.934 209 T HN 0.794 nan 8.240 nan 0.000 0.518 210 G N 2.240 110.997 108.800 -0.072 0.000 2.198 210 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.260 210 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.260 210 G C 0.648 175.474 174.900 -0.123 0.000 1.025 210 G CA 0.470 45.508 45.100 -0.103 0.000 0.769 210 G HN 0.464 nan 8.290 nan 0.000 0.507 211 D N 0.487 120.804 120.400 -0.139 0.000 2.103 211 D HA -0.112 4.526 4.640 -0.004 0.000 0.190 211 D C 2.583 178.454 176.300 -0.716 0.000 0.997 211 D CA 2.426 56.277 54.000 -0.248 0.000 0.833 211 D CB -0.920 39.794 40.800 -0.143 0.000 0.961 211 D HN 0.554 nan 8.370 nan 0.000 0.447 212 G N 0.451 108.947 108.800 -0.506 0.000 2.469 212 G HA2 -0.318 3.640 3.960 -0.004 0.000 0.219 212 G HA3 -0.318 3.640 3.960 -0.004 0.000 0.219 212 G C 1.598 176.258 174.900 -0.401 0.000 1.150 212 G CA 1.460 46.269 45.100 -0.485 0.000 0.763 212 G HN 0.310 nan 8.290 nan 0.000 0.561 213 M N 1.757 121.186 119.600 -0.284 0.000 2.229 213 M HA 0.155 4.633 4.480 -0.004 0.000 0.264 213 M C 2.443 178.665 176.300 -0.130 0.000 1.063 213 M CA 1.528 56.718 55.300 -0.183 0.000 1.114 213 M CB -0.919 31.596 32.600 -0.142 0.000 1.387 213 M HN 0.113 nan 8.290 nan 0.000 0.420 214 G N -0.422 108.321 108.800 -0.095 0.000 2.470 214 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.220 214 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.220 214 G C 1.485 176.548 174.900 0.272 0.000 1.121 214 G CA 0.933 46.148 45.100 0.191 0.000 0.766 214 G HN 0.485 nan 8.290 nan 0.000 0.553 215 M N 0.655 120.270 119.600 0.026 0.000 2.099 215 M HA 0.093 4.571 4.480 -0.004 0.000 0.262 215 M C 3.015 179.318 176.300 0.005 0.000 1.067 215 M CA 1.358 56.699 55.300 0.068 0.000 1.124 215 M CB -0.140 32.387 32.600 -0.121 0.000 1.353 215 M HN 0.270 nan 8.290 nan 0.000 0.410 216 A N -0.108 122.680 122.820 -0.052 0.000 1.958 216 A HA -0.198 4.119 4.320 -0.004 0.000 0.221 216 A C 1.459 179.055 177.584 0.019 0.000 1.178 216 A CA 1.451 53.467 52.037 -0.034 0.000 0.642 216 A CB -0.766 18.198 19.000 -0.060 0.000 0.816 216 A HN 0.559 nan 8.150 nan 0.000 0.453 217 L N -1.489 119.740 121.223 0.009 0.000 3.737 217 L HA -0.229 4.109 4.340 -0.004 0.000 0.418 217 L C 0.415 177.300 176.870 0.026 0.000 1.216 217 L CA 0.798 55.648 54.840 0.016 0.000 0.915 217 L CB -2.261 39.817 42.059 0.031 0.000 1.834 217 L HN 0.617 nan 8.230 nan 0.000 0.943 218 S N -1.249 114.451 115.700 -0.000 0.000 3.436 218 S HA -0.274 4.194 4.470 -0.004 0.000 0.393 218 S C 1.273 175.918 174.600 0.076 0.000 0.914 218 S CA 1.096 59.301 58.200 0.009 0.000 1.317 218 S CB -0.893 62.307 63.200 -0.001 0.000 0.920 218 S HN 0.939 nan 8.310 nan 0.000 0.564 219 H N 0.507 119.563 119.070 -0.023 0.000 2.422 219 H HA 0.067 4.621 4.556 -0.004 0.000 0.298 219 H C 1.736 177.055 175.328 -0.015 0.000 1.098 219 H CA 2.926 58.957 56.048 -0.027 0.000 1.315 219 H CB -0.018 29.706 29.762 -0.062 0.000 1.382 219 H HN 0.651 nan 8.280 nan 0.000 0.523 220 G N -1.342 107.385 108.800 -0.123 0.000 4.180 220 G HA2 -0.001 3.956 3.960 -0.004 0.000 0.166 220 G HA3 -0.001 3.956 3.960 -0.004 0.000 0.166 220 G C -0.605 174.282 174.900 -0.023 0.000 0.816 220 G CA 0.143 45.159 45.100 -0.139 0.000 0.880 220 G HN 0.249 nan 8.290 nan 0.000 0.399 221 V N 2.560 122.463 119.914 -0.018 0.000 2.406 221 V HA 0.450 4.568 4.120 -0.004 0.000 0.272 221 V C -2.151 173.891 176.094 -0.086 0.000 1.043 221 V CA -1.847 60.425 62.300 -0.047 0.000 0.915 221 V CB 1.043 32.823 31.823 -0.071 0.000 0.988 221 V HN 0.054 nan 8.190 nan 0.000 0.466 222 P HA 0.195 nan 4.420 nan 0.000 0.268 222 P C -0.428 176.715 177.300 -0.261 0.000 1.205 222 P CA -0.200 62.718 63.100 -0.303 0.000 0.771 222 P CB 0.501 32.058 31.700 -0.238 0.000 0.858 223 L N 3.716 124.738 121.223 -0.336 0.000 2.363 223 L HA 0.267 4.605 4.340 -0.004 0.000 0.286 223 L C 1.119 177.864 176.870 -0.208 0.000 1.106 223 L CA 0.013 54.714 54.840 -0.232 0.000 0.859 223 L CB -0.111 41.816 42.059 -0.221 0.000 1.223 223 L HN 0.288 nan 8.230 nan 0.000 0.446 224 R N 2.686 123.108 120.500 -0.130 0.000 2.474 224 R HA 0.193 4.531 4.340 -0.004 0.000 0.295 224 R C -0.404 175.901 176.300 0.007 0.000 0.980 224 R CA -0.555 55.505 56.100 -0.067 0.000 0.934 224 R CB 0.829 31.098 30.300 -0.052 0.000 1.101 224 R HN 0.504 nan 8.270 nan 0.000 0.469 225 D N 3.480 123.912 120.400 0.053 0.000 2.689 225 D HA -0.186 4.452 4.640 -0.004 0.000 0.237 225 D C 0.583 176.913 176.300 0.050 0.000 1.148 225 D CA 0.762 54.827 54.000 0.109 0.000 0.656 225 D CB -0.149 40.846 40.800 0.325 0.000 1.050 225 D HN 0.550 nan 8.370 nan 0.000 0.426 226 M N -0.584 118.986 119.600 -0.050 0.000 2.506 226 M HA -0.066 4.412 4.480 -0.004 0.000 0.260 226 M C 2.169 178.420 176.300 -0.081 0.000 1.104 226 M CA 0.842 56.108 55.300 -0.057 0.000 1.112 226 M CB -0.310 32.240 32.600 -0.082 0.000 1.401 226 M HN 0.286 nan 8.290 nan 0.000 0.473 227 E N 0.768 120.848 120.200 -0.199 0.000 2.160 227 E HA -0.168 4.180 4.350 -0.004 0.000 0.195 227 E C 0.132 176.605 176.600 -0.211 0.000 0.991 227 E CA 0.748 56.957 56.400 -0.318 0.000 0.810 227 E CB -0.895 28.435 29.700 -0.616 0.000 0.742 227 E HN 0.391 nan 8.360 nan 0.000 0.466 228 F N 1.735 121.682 119.950 -0.004 0.000 2.494 228 F HA 0.142 4.667 4.527 -0.004 0.000 0.369 228 F C 0.080 175.893 175.800 0.021 0.000 1.098 228 F CA -0.470 57.553 58.000 0.037 0.000 1.154 228 F CB 0.805 39.831 39.000 0.044 0.000 1.103 228 F HN -0.262 nan 8.300 nan 0.000 0.549 229 V N 4.007 124.074 119.914 0.256 0.000 2.656 229 V HA 0.316 4.434 4.120 -0.004 0.000 0.307 229 V C -0.464 175.721 176.094 0.153 0.000 1.051 229 V CA -0.989 61.389 62.300 0.130 0.000 0.893 229 V CB 1.870 33.754 31.823 0.103 0.000 0.999 229 V HN 0.587 nan 8.190 nan 0.000 0.426 230 Q N 1.958 121.810 119.800 0.086 0.000 2.307 230 Q HA 0.527 4.864 4.340 -0.004 0.000 0.262 230 Q C -1.773 174.278 176.000 0.085 0.000 0.961 230 Q CA -0.483 55.407 55.803 0.144 0.000 0.882 230 Q CB 1.534 30.395 28.738 0.204 0.000 1.264 230 Q HN 0.714 nan 8.270 nan 0.000 0.446 231 Y N 0.966 121.302 120.300 0.061 0.000 2.376 231 Y HA 0.235 4.783 4.550 -0.003 0.000 0.325 231 Y C -0.371 175.544 175.900 0.025 0.000 1.199 231 Y CA -0.358 57.759 58.100 0.029 0.000 1.206 231 Y CB 1.281 39.722 38.460 -0.033 0.000 1.229 231 Y HN 0.640 nan 8.280 nan 0.000 0.480 232 H N 4.751 123.867 119.070 0.077 0.000 2.488 232 H HA 0.246 4.800 4.556 -0.004 0.000 0.322 232 H C -1.798 173.508 175.328 -0.037 0.000 1.078 232 H CA -2.131 53.873 56.048 -0.073 0.000 1.260 232 H CB 1.613 31.240 29.762 -0.224 0.000 1.425 232 H HN 0.325 nan 8.280 nan 0.000 0.471 233 P HA -0.134 nan 4.420 nan 0.000 0.214 233 P C 0.033 177.333 177.300 0.000 0.000 1.163 233 P CA 1.339 64.366 63.100 -0.122 0.000 0.883 233 P CB 0.078 31.672 31.700 -0.177 0.000 0.788 234 T N -2.105 112.556 114.554 0.178 0.000 2.874 234 T HA 0.688 5.036 4.350 -0.004 0.000 0.321 234 T C 0.098 174.909 174.700 0.186 0.000 1.075 234 T CA -0.791 61.419 62.100 0.183 0.000 0.966 234 T CB 0.953 69.915 68.868 0.156 0.000 1.001 234 T HN 0.111 nan 8.240 nan 0.000 0.476 235 G N 3.427 112.251 108.800 0.039 0.000 2.617 235 G HA2 0.582 4.540 3.960 -0.004 0.000 0.306 235 G HA3 0.582 4.540 3.960 -0.004 0.000 0.306 235 G C -0.427 174.447 174.900 -0.043 0.000 1.360 235 G CA -1.105 43.975 45.100 -0.034 0.000 0.983 235 G HN 0.855 nan 8.290 nan 0.000 0.496 236 L N 2.559 123.764 121.223 -0.030 0.000 2.554 236 L HA 0.110 4.448 4.340 -0.004 0.000 0.293 236 L C -1.466 175.370 176.870 -0.056 0.000 1.252 236 L CA -0.928 53.900 54.840 -0.020 0.000 0.862 236 L CB 0.544 42.601 42.059 -0.003 0.000 1.113 236 L HN 0.305 nan 8.230 nan 0.000 0.510 237 P HA 0.014 nan 4.420 nan 0.000 0.266 237 P C 0.766 177.987 177.300 -0.132 0.000 1.215 237 P CA 0.884 63.919 63.100 -0.109 0.000 0.763 237 P CB 1.111 32.769 31.700 -0.070 0.000 0.806 238 G N 4.343 112.987 108.800 -0.260 0.000 3.639 238 G HA2 -0.414 3.544 3.960 -0.004 0.000 0.224 238 G HA3 -0.414 3.544 3.960 -0.004 0.000 0.224 238 G C 1.467 176.350 174.900 -0.029 0.000 1.339 238 G CA 0.878 45.808 45.100 -0.283 0.000 0.933 238 G HN 0.595 nan 8.290 nan 0.000 0.568 239 S N 0.950 116.643 115.700 -0.012 0.000 2.419 239 S HA 0.253 4.721 4.470 -0.004 0.000 0.235 239 S C 2.750 177.350 174.600 -0.001 0.000 1.019 239 S CA 1.800 60.004 58.200 0.006 0.000 0.982 239 S CB -0.632 62.551 63.200 -0.029 0.000 0.789 239 S HN 2.658 nan 8.310 nan 0.000 0.490 240 G N 0.636 109.426 108.800 -0.017 0.000 2.168 240 G HA2 -0.283 3.675 3.960 -0.004 0.000 0.263 240 G HA3 -0.283 3.675 3.960 -0.004 0.000 0.263 240 G C 0.019 174.903 174.900 -0.027 0.000 0.977 240 G CA 0.285 45.381 45.100 -0.007 0.000 0.659 240 G HN 0.587 nan 8.290 nan 0.000 0.533 241 I N 0.644 121.183 120.570 -0.052 0.000 2.683 241 I HA 0.210 4.378 4.170 -0.004 0.000 0.286 241 I C 1.170 177.248 176.117 -0.064 0.000 1.175 241 I CA -0.295 60.969 61.300 -0.060 0.000 1.429 241 I CB 0.766 38.701 38.000 -0.109 0.000 1.371 241 I HN 0.303 nan 8.210 nan 0.000 0.569 242 L N 7.777 128.947 121.223 -0.088 0.000 2.559 242 L HA 0.063 4.401 4.340 -0.004 0.000 0.274 242 L C -0.061 176.745 176.870 -0.107 0.000 1.205 242 L CA 0.654 55.371 54.840 -0.206 0.000 0.907 242 L CB 0.037 41.978 42.059 -0.198 0.000 1.153 242 L HN 0.596 nan 8.230 nan 0.000 0.490 243 M N 5.379 124.905 119.600 -0.124 0.000 2.036 243 M HA 0.230 4.708 4.480 -0.004 0.000 0.337 243 M C 0.060 176.408 176.300 0.081 0.000 1.012 243 M CA -0.013 55.302 55.300 0.025 0.000 0.962 243 M CB 1.140 33.779 32.600 0.066 0.000 1.423 243 M HN 0.767 nan 8.290 nan 0.000 0.405 244 T N 2.173 116.785 114.554 0.096 0.000 2.923 244 T HA -0.047 4.301 4.350 -0.004 0.000 0.304 244 T C 1.007 175.814 174.700 0.180 0.000 1.044 244 T CA 0.720 62.919 62.100 0.164 0.000 1.141 244 T CB 0.410 69.377 68.868 0.164 0.000 1.023 244 T HN 0.837 nan 8.240 nan 0.000 0.533 245 E N 2.540 122.858 120.200 0.196 0.000 2.409 245 E HA 0.007 4.355 4.350 -0.004 0.000 0.198 245 E C 2.091 178.622 176.600 -0.115 0.000 1.024 245 E CA 0.611 56.977 56.400 -0.056 0.000 0.861 245 E CB -0.239 29.250 29.700 -0.352 0.000 0.788 245 E HN 0.891 nan 8.360 nan 0.000 0.521 246 G N 0.202 109.037 108.800 0.058 0.000 2.534 246 G HA2 -0.203 3.755 3.960 -0.004 0.000 0.217 246 G HA3 -0.203 3.755 3.960 -0.004 0.000 0.217 246 G C 1.499 176.417 174.900 0.031 0.000 1.128 246 G CA 0.198 45.331 45.100 0.056 0.000 0.784 246 G HN 0.300 nan 8.290 nan 0.000 0.542 247 C N 1.041 120.369 119.300 0.047 0.000 2.413 247 C HA -0.076 4.382 4.460 -0.004 0.000 0.277 247 C C 2.953 177.963 174.990 0.034 0.000 1.228 247 C CA 1.191 60.235 59.018 0.045 0.000 1.731 247 C CB -0.636 27.141 27.740 0.062 0.000 2.042 247 C HN 0.612 nan 8.230 nan 0.000 0.468 248 R N 1.114 121.626 120.500 0.018 0.000 2.193 248 R HA 0.040 4.378 4.340 -0.004 0.000 0.213 248 R C 2.231 178.528 176.300 -0.005 0.000 1.055 248 R CA 1.391 57.501 56.100 0.017 0.000 0.995 248 R CB -0.881 29.413 30.300 -0.009 0.000 0.893 248 R HN 0.537 nan 8.270 nan 0.000 0.459 249 G N 1.720 110.499 108.800 -0.035 0.000 2.422 249 G HA2 -0.200 3.758 3.960 -0.004 0.000 0.218 249 G HA3 -0.200 3.758 3.960 -0.004 0.000 0.218 249 G C 1.282 176.174 174.900 -0.013 0.000 1.140 249 G CA 0.249 45.322 45.100 -0.046 0.000 0.775 249 G HN 0.215 nan 8.290 nan 0.000 0.545 250 E N -0.167 120.038 120.200 0.008 0.000 2.122 250 E HA 0.116 4.464 4.350 -0.004 0.000 0.190 250 E C 2.007 178.644 176.600 0.062 0.000 0.977 250 E CA 1.062 57.476 56.400 0.024 0.000 0.820 250 E CB 0.240 29.951 29.700 0.019 0.000 0.770 250 E HN 0.475 nan 8.360 nan 0.000 0.462 251 G N 0.143 109.005 108.800 0.102 0.000 4.080 251 G HA2 -0.069 3.889 3.960 -0.004 0.000 0.219 251 G HA3 -0.069 3.889 3.960 -0.004 0.000 0.219 251 G C 0.681 175.838 174.900 0.429 0.000 0.843 251 G CA -0.169 45.068 45.100 0.229 0.000 0.856 251 G HN 0.390 nan 8.290 nan 0.000 0.616 252 G N 0.488 109.431 108.800 0.239 0.000 2.257 252 G HA2 0.346 4.304 3.960 -0.004 0.000 0.235 252 G HA3 0.346 4.304 3.960 -0.004 0.000 0.235 252 G C -0.176 174.835 174.900 0.185 0.000 1.225 252 G CA 0.501 45.725 45.100 0.206 0.000 0.878 252 G HN 0.535 nan 8.290 nan 0.000 0.505 253 I N 1.208 121.906 120.570 0.212 0.000 2.545 253 I HA 0.301 4.469 4.170 -0.004 0.000 0.292 253 I C -0.162 175.999 176.117 0.073 0.000 1.040 253 I CA -0.718 60.629 61.300 0.078 0.000 1.068 253 I CB 2.165 40.159 38.000 -0.010 0.000 1.251 253 I HN 0.223 nan 8.210 nan 0.000 0.424 254 L N 6.769 127.993 121.223 0.001 0.000 2.289 254 L HA 0.652 4.990 4.340 -0.004 0.000 0.285 254 L C -0.622 176.254 176.870 0.009 0.000 1.049 254 L CA -0.691 54.168 54.840 0.031 0.000 0.804 254 L CB 1.419 43.453 42.059 -0.042 0.000 1.195 254 L HN 0.331 nan 8.230 nan 0.000 0.428 255 V N -0.513 119.539 119.914 0.230 0.000 2.925 255 V HA 0.613 4.731 4.120 -0.004 0.000 0.311 255 V C -0.608 175.772 176.094 0.476 0.000 1.104 255 V CA -1.064 61.418 62.300 0.303 0.000 0.954 255 V CB 1.681 33.633 31.823 0.215 0.000 1.022 255 V HN 0.794 nan 8.190 nan 0.000 0.427 256 N N 2.173 121.164 118.700 0.486 0.000 2.443 256 N HA 0.296 5.033 4.740 -0.004 0.000 0.294 256 N C 0.871 176.540 175.510 0.267 0.000 1.289 256 N CA -0.275 52.966 53.050 0.318 0.000 0.966 256 N CB 0.173 38.809 38.487 0.248 0.000 1.122 256 N HN 0.860 nan 8.380 nan 0.000 0.569 257 K N -1.344 119.158 120.400 0.170 0.000 2.280 257 K HA -0.008 4.310 4.320 -0.004 0.000 0.202 257 K C 0.327 177.026 176.600 0.164 0.000 1.047 257 K CA 1.188 57.575 56.287 0.166 0.000 0.942 257 K CB -0.295 32.255 32.500 0.084 0.000 0.739 257 K HN 0.352 nan 8.250 nan 0.000 0.457 258 N N 0.465 119.261 118.700 0.160 0.000 2.412 258 N HA 0.020 4.758 4.740 -0.004 0.000 0.184 258 N C 0.902 176.512 175.510 0.166 0.000 1.101 258 N CA 1.036 54.170 53.050 0.140 0.000 0.881 258 N CB 0.869 39.426 38.487 0.116 0.000 0.969 258 N HN 0.570 nan 8.380 nan 0.000 0.459 259 G N 0.605 109.527 108.800 0.203 0.000 2.157 259 G HA2 -0.310 3.647 3.960 -0.004 0.000 0.248 259 G HA3 -0.310 3.647 3.960 -0.004 0.000 0.248 259 G C -0.221 174.797 174.900 0.196 0.000 0.979 259 G CA 0.072 45.277 45.100 0.176 0.000 0.650 259 G HN 0.474 nan 8.290 nan 0.000 0.529 260 Y N 1.577 121.947 120.300 0.117 0.000 2.304 260 Y HA 0.618 5.166 4.550 -0.004 0.000 0.328 260 Y C 0.996 176.975 175.900 0.132 0.000 1.123 260 Y CA -0.939 57.222 58.100 0.101 0.000 1.218 260 Y CB 0.648 39.165 38.460 0.094 0.000 1.207 260 Y HN 0.159 nan 8.280 nan 0.000 0.495 261 R N 6.559 126.727 120.500 -0.553 0.000 2.325 261 R HA 0.035 4.373 4.340 -0.004 0.000 0.323 261 R C -0.167 175.821 176.300 -0.521 0.000 1.177 261 R CA -0.082 55.736 56.100 -0.470 0.000 1.018 261 R CB -0.210 29.835 30.300 -0.425 0.000 1.070 261 R HN 0.848 nan 8.270 nan 0.000 0.495 262 Y N 0.643 120.929 120.300 -0.022 0.000 2.583 262 Y HA 0.044 4.592 4.550 -0.004 0.000 0.293 262 Y C 1.081 177.042 175.900 0.102 0.000 1.157 262 Y CA 0.214 58.417 58.100 0.173 0.000 1.315 262 Y CB -0.233 38.414 38.460 0.312 0.000 1.021 262 Y HN 0.366 nan 8.280 nan 0.000 0.536 263 L N 0.342 121.479 121.223 -0.142 0.000 2.217 263 L HA -0.136 4.202 4.340 -0.004 0.000 0.211 263 L C 2.629 179.526 176.870 0.045 0.000 1.107 263 L CA 1.270 56.144 54.840 0.055 0.000 0.783 263 L CB -0.491 41.526 42.059 -0.070 0.000 0.919 263 L HN 0.254 nan 8.230 nan 0.000 0.442 264 Q N 0.440 120.214 119.800 -0.043 0.000 2.181 264 Q HA -0.273 4.065 4.340 -0.004 0.000 0.205 264 Q C 1.838 177.810 176.000 -0.046 0.000 0.980 264 Q CA 1.773 57.559 55.803 -0.027 0.000 0.862 264 Q CB -0.334 28.379 28.738 -0.042 0.000 0.905 264 Q HN 0.395 nan 8.270 nan 0.000 0.429 265 D N -0.745 119.564 120.400 -0.153 0.000 2.133 265 D HA -0.202 4.436 4.640 -0.004 0.000 0.195 265 D C 0.152 176.211 176.300 -0.402 0.000 0.997 265 D CA 1.074 54.833 54.000 -0.401 0.000 0.840 265 D CB 0.023 40.337 40.800 -0.809 0.000 0.947 265 D HN 0.511 nan 8.370 nan 0.000 0.452 266 Y N -1.179 119.212 120.300 0.151 0.000 2.811 266 Y HA 0.395 4.943 4.550 -0.003 0.000 0.330 266 Y C 1.665 177.636 175.900 0.118 0.000 1.081 266 Y CA -0.100 58.086 58.100 0.142 0.000 1.408 266 Y CB 0.806 39.400 38.460 0.222 0.000 1.235 266 Y HN 0.054 nan 8.280 nan 0.000 0.529 267 G N -0.269 108.630 108.800 0.164 0.000 2.213 267 G HA2 -0.305 3.653 3.960 -0.004 0.000 0.236 267 G HA3 -0.305 3.653 3.960 -0.004 0.000 0.236 267 G C 0.108 175.091 174.900 0.138 0.000 0.991 267 G CA -0.411 44.772 45.100 0.138 0.000 0.629 267 G HN 0.185 nan 8.290 nan 0.000 0.517 268 M N 2.084 121.774 119.600 0.149 0.000 2.248 268 M HA 0.506 4.984 4.480 -0.004 0.000 0.345 268 M C 1.525 177.917 176.300 0.154 0.000 1.243 268 M CA 0.817 56.215 55.300 0.165 0.000 1.090 268 M CB 0.477 33.162 32.600 0.140 0.000 1.683 268 M HN 0.440 nan 8.290 nan 0.000 0.450 269 G N 3.533 112.494 108.800 0.267 0.000 2.744 269 G HA2 0.274 4.232 3.960 -0.004 0.000 0.257 269 G HA3 0.274 4.232 3.960 -0.004 0.000 0.257 269 G C -2.383 172.446 174.900 -0.119 0.000 1.244 269 G CA -1.038 44.107 45.100 0.075 0.000 0.916 269 G HN 0.556 nan 8.290 nan 0.000 0.564 270 P HA -0.012 nan 4.420 nan 0.000 0.261 270 P C 0.107 177.288 177.300 -0.199 0.000 1.173 270 P CA 0.219 63.213 63.100 -0.177 0.000 0.760 270 P CB 0.452 32.043 31.700 -0.182 0.000 0.783 271 E N 2.632 122.752 120.200 -0.134 0.000 2.652 271 E HA -0.016 4.332 4.350 -0.004 0.000 0.255 271 E C -0.002 176.522 176.600 -0.128 0.000 0.952 271 E CA -0.067 56.258 56.400 -0.127 0.000 0.947 271 E CB 0.250 29.873 29.700 -0.128 0.000 0.912 271 E HN 0.442 nan 8.360 nan 0.000 0.489 272 T N 3.502 117.992 114.554 -0.106 0.000 2.870 272 T HA 0.274 4.622 4.350 -0.004 0.000 0.300 272 T C -2.232 172.413 174.700 -0.092 0.000 0.989 272 T CA -1.603 60.447 62.100 -0.083 0.000 1.139 272 T CB 1.009 69.856 68.868 -0.035 0.000 0.920 272 T HN 0.281 nan 8.240 nan 0.000 0.537 273 P HA 0.157 nan 4.420 nan 0.000 0.272 273 P C 1.047 178.282 177.300 -0.108 0.000 1.248 273 P CA -0.548 62.501 63.100 -0.085 0.000 0.799 273 P CB 0.450 32.113 31.700 -0.061 0.000 0.997 274 L N -0.177 120.974 121.223 -0.120 0.000 2.201 274 L HA -0.076 4.262 4.340 -0.004 0.000 0.212 274 L C 2.329 179.132 176.870 -0.113 0.000 1.105 274 L CA 2.002 56.733 54.840 -0.180 0.000 0.775 274 L CB -0.983 40.989 42.059 -0.146 0.000 0.913 274 L HN 0.551 nan 8.230 nan 0.000 0.440 275 G N -0.282 108.489 108.800 -0.049 0.000 2.545 275 G HA2 -0.052 3.906 3.960 -0.004 0.000 0.212 275 G HA3 -0.052 3.906 3.960 -0.004 0.000 0.212 275 G C 0.465 175.367 174.900 0.003 0.000 1.144 275 G CA 0.015 45.112 45.100 -0.004 0.000 0.813 275 G HN 0.522 nan 8.290 nan 0.000 0.531 276 E N 1.053 121.245 120.200 -0.013 0.000 2.873 276 E HA 0.377 4.724 4.350 -0.004 0.000 0.232 276 E C -3.002 173.594 176.600 -0.006 0.000 1.123 276 E CA -2.087 54.311 56.400 -0.003 0.000 0.809 276 E CB 1.707 31.407 29.700 -0.001 0.000 1.366 276 E HN 0.042 nan 8.360 nan 0.000 0.400 277 P HA 0.131 nan 4.420 nan 0.000 0.282 277 P C -0.808 176.504 177.300 0.021 0.000 1.262 277 P CA -0.343 62.757 63.100 -0.001 0.000 0.773 277 P CB 0.883 32.583 31.700 -0.000 0.000 0.879 278 K N 2.817 123.246 120.400 0.048 0.000 2.164 278 K HA 0.251 4.569 4.320 -0.004 0.000 0.258 278 K C 0.166 176.808 176.600 0.071 0.000 0.951 278 K CA -0.856 55.479 56.287 0.081 0.000 0.844 278 K CB 0.821 33.418 32.500 0.161 0.000 1.099 278 K HN 0.342 nan 8.250 nan 0.000 0.435 279 N N 3.361 122.075 118.700 0.022 0.000 2.412 279 N HA -0.136 4.602 4.740 -0.004 0.000 0.254 279 N C -0.458 175.006 175.510 -0.075 0.000 1.232 279 N CA 1.054 54.087 53.050 -0.027 0.000 0.880 279 N CB 0.366 38.829 38.487 -0.039 0.000 1.076 279 N HN 0.774 nan 8.380 nan 0.000 0.458 280 K N 2.111 122.464 120.400 -0.078 0.000 3.088 280 K HA -0.257 4.061 4.320 -0.004 0.000 0.273 280 K C -0.588 175.936 176.600 -0.126 0.000 1.111 280 K CA 1.519 57.735 56.287 -0.118 0.000 0.803 280 K CB -2.137 30.262 32.500 -0.168 0.000 1.226 280 K HN 0.721 nan 8.250 nan 0.000 0.485 281 Y N -0.492 119.801 120.300 -0.012 0.000 2.499 281 Y HA 0.377 4.925 4.550 -0.003 0.000 0.253 281 Y C 0.502 176.386 175.900 -0.025 0.000 1.105 281 Y CA -0.924 57.169 58.100 -0.012 0.000 1.240 281 Y CB 0.846 39.298 38.460 -0.014 0.000 1.289 281 Y HN 0.170 nan 8.280 nan 0.000 0.534 282 M N 0.292 119.962 119.600 0.117 0.000 2.428 282 M HA -0.065 4.413 4.480 -0.004 0.000 0.198 282 M C -0.113 176.177 176.300 -0.017 0.000 0.742 282 M CA 0.010 55.324 55.300 0.023 0.000 0.875 282 M CB 0.855 33.443 32.600 -0.019 0.000 1.813 282 M HN 0.283 nan 8.290 nan 0.000 0.613 283 E N 0.055 120.227 120.200 -0.047 0.000 5.150 283 E HA -0.238 4.110 4.350 -0.004 0.000 0.167 283 E C -0.513 176.062 176.600 -0.041 0.000 1.196 283 E CA 2.189 58.558 56.400 -0.052 0.000 2.189 283 E CB -0.724 28.946 29.700 -0.051 0.000 1.820 283 E HN 0.648 nan 8.360 nan 0.000 0.420 284 L N 0.332 121.538 121.223 -0.029 0.000 2.257 284 L HA 0.654 4.992 4.340 -0.004 0.000 0.290 284 L C 0.623 177.478 176.870 -0.025 0.000 1.044 284 L CA 0.112 54.927 54.840 -0.042 0.000 0.810 284 L CB 1.468 43.507 42.059 -0.034 0.000 1.193 284 L HN 0.243 nan 8.230 nan 0.000 0.425 285 G N 3.158 111.932 108.800 -0.043 0.000 2.559 285 G HA2 0.542 4.500 3.960 -0.004 0.000 0.291 285 G HA3 0.542 4.500 3.960 -0.004 0.000 0.291 285 G C -3.137 171.740 174.900 -0.038 0.000 1.424 285 G CA -0.886 44.200 45.100 -0.023 0.000 0.786 285 G HN 0.248 nan 8.290 nan 0.000 0.485 286 P HA 0.232 nan 4.420 nan 0.000 0.267 286 P C 0.945 178.229 177.300 -0.027 0.000 1.200 286 P CA -0.253 62.836 63.100 -0.019 0.000 0.772 286 P CB 0.885 32.589 31.700 0.007 0.000 0.855 287 R N 1.141 121.617 120.500 -0.039 0.000 2.083 287 R HA -0.163 4.174 4.340 -0.004 0.000 0.237 287 R C 1.300 177.581 176.300 -0.032 0.000 1.137 287 R CA 1.873 57.942 56.100 -0.052 0.000 0.951 287 R CB -0.440 29.835 30.300 -0.043 0.000 0.851 287 R HN 0.559 nan 8.270 nan 0.000 0.434 288 D N 0.362 120.755 120.400 -0.011 0.000 2.087 288 D HA -0.154 4.484 4.640 -0.004 0.000 0.192 288 D C 1.735 178.028 176.300 -0.013 0.000 0.993 288 D CA 1.327 55.319 54.000 -0.013 0.000 0.828 288 D CB -0.178 40.631 40.800 0.015 0.000 0.968 288 D HN 0.116 nan 8.370 nan 0.000 0.448 289 K N 0.175 120.591 120.400 0.027 0.000 2.044 289 K HA -0.113 4.205 4.320 -0.004 0.000 0.210 289 K C 2.119 178.762 176.600 0.072 0.000 1.049 289 K CA 0.930 57.259 56.287 0.069 0.000 0.927 289 K CB -0.154 32.404 32.500 0.097 0.000 0.713 289 K HN 0.026 nan 8.250 nan 0.000 0.443 290 V N 0.573 120.517 119.914 0.049 0.000 2.323 290 V HA -0.185 3.933 4.120 -0.004 0.000 0.244 290 V C 2.098 178.229 176.094 0.062 0.000 1.041 290 V CA 1.755 64.099 62.300 0.073 0.000 1.025 290 V CB -0.292 31.545 31.823 0.023 0.000 0.656 290 V HN 0.237 nan 8.190 nan 0.000 0.451 291 S N -0.254 115.438 115.700 -0.012 0.000 2.383 291 S HA -0.291 4.177 4.470 -0.004 0.000 0.229 291 S C 1.986 176.540 174.600 -0.077 0.000 1.030 291 S CA 1.627 59.799 58.200 -0.046 0.000 1.002 291 S CB -0.354 62.803 63.200 -0.071 0.000 0.829 291 S HN 0.655 nan 8.310 nan 0.000 0.467 292 Q N 0.611 120.320 119.800 -0.152 0.000 2.224 292 Q HA 0.086 4.424 4.340 -0.004 0.000 0.203 292 Q C 2.336 178.152 176.000 -0.307 0.000 0.970 292 Q CA 1.013 56.621 55.803 -0.324 0.000 0.865 292 Q CB -0.329 28.206 28.738 -0.338 0.000 0.922 292 Q HN 0.608 nan 8.270 nan 0.000 0.445 293 A N 0.061 122.824 122.820 -0.095 0.000 2.178 293 A HA -0.171 4.147 4.320 -0.004 0.000 0.218 293 A C 1.637 179.242 177.584 0.035 0.000 1.157 293 A CA 0.732 52.744 52.037 -0.041 0.000 0.689 293 A CB -0.522 18.712 19.000 0.390 0.000 0.787 293 A HN 0.436 nan 8.150 nan 0.000 0.465 294 F N -1.192 118.717 119.950 -0.068 0.000 2.094 294 F HA -0.065 4.460 4.527 -0.003 0.000 0.291 294 F C 2.066 177.879 175.800 0.022 0.000 1.109 294 F CA 1.559 59.523 58.000 -0.059 0.000 1.221 294 F CB -0.339 38.631 39.000 -0.050 0.000 1.014 294 F HN 0.465 nan 8.300 nan 0.000 0.473 295 W N 1.630 122.918 121.300 -0.021 0.000 2.331 295 W HA -0.242 4.416 4.660 -0.004 0.000 0.291 295 W C 2.315 178.872 176.519 0.063 0.000 1.214 295 W CA 2.466 59.816 57.345 0.009 0.000 1.228 295 W CB -1.094 28.350 29.460 -0.027 0.000 1.135 295 W HN 0.351 nan 8.180 nan 0.000 0.537 296 H N -0.599 118.639 119.070 0.279 0.000 2.293 296 H HA -0.135 4.419 4.556 -0.003 0.000 0.300 296 H C 2.129 177.517 175.328 0.099 0.000 1.082 296 H CA 1.617 57.754 56.048 0.149 0.000 1.308 296 H CB -0.255 29.465 29.762 -0.070 0.000 1.375 296 H HN -0.066 nan 8.280 nan 0.000 0.495 297 E N 0.186 120.441 120.200 0.092 0.000 2.204 297 E HA -0.190 4.158 4.350 -0.004 0.000 0.195 297 E C 1.858 178.381 176.600 -0.128 0.000 0.990 297 E CA 0.568 56.920 56.400 -0.080 0.000 0.821 297 E CB -0.246 29.231 29.700 -0.372 0.000 0.750 297 E HN 0.583 nan 8.360 nan 0.000 0.477 298 W N 1.927 123.018 121.300 -0.348 0.000 2.379 298 W HA -0.099 4.559 4.660 -0.003 0.000 0.307 298 W C 2.128 178.563 176.519 -0.140 0.000 1.200 298 W CA 1.335 58.475 57.345 -0.342 0.000 1.297 298 W CB -0.054 29.135 29.460 -0.453 0.000 1.140 298 W HN -0.112 nan 8.180 nan 0.000 0.507 299 R N 0.050 120.562 120.500 0.019 0.000 2.189 299 R HA -0.048 4.290 4.340 -0.004 0.000 0.218 299 R C 2.008 178.238 176.300 -0.117 0.000 1.074 299 R CA 1.071 57.115 56.100 -0.095 0.000 0.991 299 R CB -0.227 30.188 30.300 0.193 0.000 0.883 299 R HN 0.141 nan 8.270 nan 0.000 0.457 300 K N -0.560 119.805 120.400 -0.058 0.000 2.366 300 K HA 0.019 4.337 4.320 -0.004 0.000 0.198 300 K C 0.846 177.376 176.600 -0.118 0.000 1.044 300 K CA 0.716 56.971 56.287 -0.055 0.000 0.973 300 K CB 0.399 32.903 32.500 0.006 0.000 0.767 300 K HN 0.348 nan 8.250 nan 0.000 0.475 301 G N 1.755 110.434 108.800 -0.203 0.000 2.137 301 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.237 301 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.237 301 G C 0.107 174.922 174.900 -0.142 0.000 1.002 301 G CA 0.086 45.058 45.100 -0.214 0.000 0.702 301 G HN 0.238 nan 8.290 nan 0.000 0.515 302 N N 0.803 119.427 118.700 -0.128 0.000 2.276 302 N HA 0.160 4.898 4.740 -0.004 0.000 0.212 302 N C 0.954 176.407 175.510 -0.095 0.000 1.127 302 N CA 0.964 53.967 53.050 -0.080 0.000 0.834 302 N CB 0.469 38.926 38.487 -0.051 0.000 1.014 302 N HN 0.760 nan 8.380 nan 0.000 0.491 303 T N -1.557 112.923 114.554 -0.123 0.000 2.929 303 T HA 0.614 4.962 4.350 -0.004 0.000 0.284 303 T C 0.306 174.978 174.700 -0.046 0.000 1.014 303 T CA -0.688 61.351 62.100 -0.101 0.000 1.051 303 T CB 1.615 70.439 68.868 -0.073 0.000 1.028 303 T HN -0.153 nan 8.240 nan 0.000 0.485 304 I N 2.005 122.546 120.570 -0.048 0.000 2.331 304 I HA 0.348 4.516 4.170 -0.004 0.000 0.292 304 I C 0.710 176.820 176.117 -0.012 0.000 0.998 304 I CA -0.205 61.074 61.300 -0.034 0.000 1.267 304 I CB 1.552 39.487 38.000 -0.109 0.000 1.386 304 I HN 0.689 nan 8.210 nan 0.000 0.476 305 S N 4.681 120.389 115.700 0.013 0.000 2.489 305 S HA 0.663 5.130 4.470 -0.004 0.000 0.277 305 S C -0.069 174.546 174.600 0.026 0.000 1.230 305 S CA -0.389 57.827 58.200 0.027 0.000 1.053 305 S CB -0.099 63.117 63.200 0.026 0.000 0.955 305 S HN 0.753 nan 8.310 nan 0.000 0.488 306 T N 3.418 117.985 114.554 0.022 0.000 2.865 306 T HA 0.520 4.868 4.350 -0.004 0.000 0.294 306 T C -2.271 172.440 174.700 0.019 0.000 1.119 306 T CA -1.585 60.528 62.100 0.022 0.000 1.007 306 T CB 0.802 69.679 68.868 0.016 0.000 1.225 306 T HN 0.206 nan 8.240 nan 0.000 0.515 307 P HA -0.118 nan 4.420 nan 0.000 0.217 307 P C 1.482 178.787 177.300 0.010 0.000 1.151 307 P CA 0.987 64.099 63.100 0.021 0.000 0.849 307 P CB 0.129 31.844 31.700 0.025 0.000 0.787 308 R N -1.405 119.089 120.500 -0.010 0.000 2.161 308 R HA 0.294 4.632 4.340 -0.004 0.000 0.213 308 R C 1.437 177.683 176.300 -0.089 0.000 1.055 308 R CA 1.109 57.178 56.100 -0.053 0.000 0.996 308 R CB -0.674 29.580 30.300 -0.076 0.000 0.901 308 R HN 0.304 nan 8.270 nan 0.000 0.456 309 G N 0.413 109.186 108.800 -0.044 0.000 2.325 309 G HA2 -0.108 3.850 3.960 -0.004 0.000 0.285 309 G HA3 -0.108 3.850 3.960 -0.004 0.000 0.285 309 G C -1.822 173.088 174.900 0.017 0.000 1.303 309 G CA -0.880 44.206 45.100 -0.023 0.000 0.970 309 G HN 0.018 nan 8.290 nan 0.000 0.490 310 D N -0.653 119.794 120.400 0.079 0.000 2.372 310 D HA 0.578 5.216 4.640 -0.004 0.000 0.243 310 D C 0.168 176.585 176.300 0.195 0.000 1.121 310 D CA 0.372 54.462 54.000 0.151 0.000 0.898 310 D CB 1.802 42.799 40.800 0.328 0.000 1.202 310 D HN 0.511 nan 8.370 nan 0.000 0.428 311 V N 0.977 120.983 119.914 0.153 0.000 3.178 311 V HA 0.440 4.558 4.120 -0.004 0.000 0.302 311 V C -0.772 175.374 176.094 0.087 0.000 1.262 311 V CA -0.820 61.576 62.300 0.160 0.000 1.030 311 V CB 2.392 34.188 31.823 -0.044 0.000 1.074 311 V HN 0.426 nan 8.190 nan 0.000 0.438 312 V N 0.950 120.992 119.914 0.213 0.000 2.994 312 V HA 0.717 4.835 4.120 -0.004 0.000 0.318 312 V C -1.249 174.856 176.094 0.019 0.000 1.085 312 V CA -0.832 61.539 62.300 0.118 0.000 0.998 312 V CB 1.807 33.838 31.823 0.346 0.000 1.063 312 V HN 0.656 nan 8.190 nan 0.000 0.447 313 Y N 2.022 122.450 120.300 0.214 0.000 2.334 313 Y HA 0.721 5.269 4.550 -0.004 0.000 0.328 313 Y C -0.084 175.910 175.900 0.157 0.000 1.130 313 Y CA -0.810 57.386 58.100 0.161 0.000 1.163 313 Y CB 1.766 40.306 38.460 0.132 0.000 1.207 313 Y HN 0.716 nan 8.280 nan 0.000 0.471 314 L N 4.011 125.425 121.223 0.318 0.000 2.316 314 L HA 0.478 4.816 4.340 -0.004 0.000 0.280 314 L C -1.234 175.741 176.870 0.175 0.000 1.006 314 L CA -0.394 54.573 54.840 0.211 0.000 0.836 314 L CB 0.935 43.091 42.059 0.162 0.000 1.221 314 L HN 0.566 nan 8.230 nan 0.000 0.418 315 D N 3.558 124.052 120.400 0.157 0.000 2.168 315 D HA 0.436 5.074 4.640 -0.004 0.000 0.246 315 D C 0.186 176.535 176.300 0.082 0.000 1.050 315 D CA -0.110 53.960 54.000 0.116 0.000 0.857 315 D CB 1.287 42.160 40.800 0.121 0.000 1.169 315 D HN 0.632 nan 8.370 nan 0.000 0.453 316 L N 3.196 124.394 121.223 -0.041 0.000 3.069 316 L HA 0.333 4.670 4.340 -0.004 0.000 0.271 316 L C 1.970 178.651 176.870 -0.316 0.000 1.201 316 L CA -0.350 54.349 54.840 -0.234 0.000 1.015 316 L CB 0.220 42.214 42.059 -0.110 0.000 1.371 316 L HN 0.274 nan 8.230 nan 0.000 0.574 317 R N 0.480 120.884 120.500 -0.160 0.000 2.105 317 R HA -0.159 4.179 4.340 -0.004 0.000 0.239 317 R C 2.165 178.412 176.300 -0.089 0.000 1.135 317 R CA 1.785 57.838 56.100 -0.079 0.000 0.967 317 R CB -0.407 29.896 30.300 0.006 0.000 0.861 317 R HN 0.586 nan 8.270 nan 0.000 0.442 318 H N -0.504 118.571 119.070 0.008 0.000 2.521 318 H HA -0.033 4.521 4.556 -0.004 0.000 0.286 318 H C 1.617 176.951 175.328 0.010 0.000 1.034 318 H CA 0.600 56.651 56.048 0.006 0.000 1.278 318 H CB -0.024 29.739 29.762 0.001 0.000 1.386 318 H HN 0.106 nan 8.280 nan 0.000 0.567 319 L N 1.072 122.150 121.223 -0.241 0.000 2.109 319 L HA 0.160 4.498 4.340 -0.004 0.000 0.207 319 L C 1.237 178.091 176.870 -0.027 0.000 1.086 319 L CA 1.645 56.422 54.840 -0.105 0.000 0.760 319 L CB -0.877 41.088 42.059 -0.158 0.000 0.910 319 L HN 0.718 nan 8.230 nan 0.000 0.437 320 G N -0.749 108.033 108.800 -0.031 0.000 2.716 320 G HA2 -0.207 3.751 3.960 -0.004 0.000 0.686 320 G HA3 -0.207 3.751 3.960 -0.004 0.000 0.686 320 G C 0.411 175.316 174.900 0.008 0.000 1.337 320 G CA -0.022 45.076 45.100 -0.002 0.000 0.829 320 G HN 0.169 nan 8.290 nan 0.000 0.599 321 E N 0.509 120.718 120.200 0.014 0.000 2.150 321 E HA -0.036 4.312 4.350 -0.004 0.000 0.193 321 E C 2.592 179.227 176.600 0.058 0.000 0.985 321 E CA 1.495 57.914 56.400 0.031 0.000 0.814 321 E CB -0.005 29.703 29.700 0.013 0.000 0.752 321 E HN 0.498 nan 8.360 nan 0.000 0.466 322 K N 0.608 121.033 120.400 0.041 0.000 2.057 322 K HA -0.099 4.218 4.320 -0.004 0.000 0.207 322 K C 1.898 178.548 176.600 0.083 0.000 1.049 322 K CA 1.137 57.457 56.287 0.056 0.000 0.931 322 K CB -0.102 32.419 32.500 0.033 0.000 0.714 322 K HN 0.115 nan 8.250 nan 0.000 0.440 323 K N 0.671 121.106 120.400 0.059 0.000 2.186 323 K HA 0.008 4.325 4.320 -0.004 0.000 0.202 323 K C 2.218 178.850 176.600 0.054 0.000 1.052 323 K CA 0.277 56.596 56.287 0.053 0.000 0.965 323 K CB -0.048 32.472 32.500 0.034 0.000 0.746 323 K HN 0.018 nan 8.250 nan 0.000 0.457 324 L N 0.902 122.157 121.223 0.053 0.000 2.027 324 L HA -0.196 4.142 4.340 -0.004 0.000 0.206 324 L C 2.701 179.617 176.870 0.077 0.000 1.074 324 L CA 1.593 56.462 54.840 0.049 0.000 0.745 324 L CB -0.363 41.716 42.059 0.033 0.000 0.898 324 L HN 0.315 nan 8.230 nan 0.000 0.433 325 H N -0.202 118.879 119.070 0.018 0.000 2.321 325 H HA -0.232 4.322 4.556 -0.003 0.000 0.300 325 H C 2.023 177.372 175.328 0.035 0.000 1.087 325 H CA 2.101 58.162 56.048 0.023 0.000 1.319 325 H CB 0.107 29.878 29.762 0.016 0.000 1.379 325 H HN 0.574 nan 8.280 nan 0.000 0.501 326 E N 0.106 120.319 120.200 0.022 0.000 2.077 326 E HA -0.099 4.249 4.350 -0.004 0.000 0.193 326 E C 0.201 176.782 176.600 -0.032 0.000 0.989 326 E CA 0.525 56.916 56.400 -0.014 0.000 0.800 326 E CB 0.320 30.073 29.700 0.088 0.000 0.746 326 E HN 0.180 nan 8.360 nan 0.000 0.452 327 R N 0.034 120.541 120.500 0.011 0.000 2.562 327 R HA 0.293 4.631 4.340 -0.004 0.000 0.298 327 R C -0.210 176.119 176.300 0.048 0.000 0.961 327 R CA -0.777 55.352 56.100 0.048 0.000 0.881 327 R CB 1.156 31.499 30.300 0.071 0.000 1.159 327 R HN 0.203 nan 8.270 nan 0.000 0.450 328 L N 2.466 123.736 121.223 0.077 0.000 3.895 328 L HA -0.181 4.157 4.340 -0.004 0.000 0.511 328 L C -1.456 175.476 176.870 0.104 0.000 1.222 328 L CA -0.188 54.715 54.840 0.105 0.000 0.739 328 L CB -0.870 41.256 42.059 0.111 0.000 1.425 328 L HN 0.450 nan 8.230 nan 0.000 0.817 329 P HA -0.042 nan 4.420 nan 0.000 0.257 329 P C 1.368 178.727 177.300 0.098 0.000 1.281 329 P CA 0.100 63.236 63.100 0.060 0.000 0.826 329 P CB 0.195 31.889 31.700 -0.010 0.000 1.237 330 F N 1.507 121.462 119.950 0.008 0.000 2.120 330 F HA -0.244 4.281 4.527 -0.003 0.000 0.300 330 F C 1.915 177.737 175.800 0.036 0.000 1.095 330 F CA 1.606 59.616 58.000 0.016 0.000 1.249 330 F CB -0.568 38.443 39.000 0.017 0.000 0.995 330 F HN -0.247 nan 8.300 nan 0.000 0.480 331 I N -0.297 120.413 120.570 0.233 0.000 2.127 331 I HA -0.396 3.772 4.170 -0.004 0.000 0.241 331 I C 2.606 178.757 176.117 0.058 0.000 1.075 331 I CA 1.578 62.964 61.300 0.143 0.000 1.334 331 I CB -1.334 36.742 38.000 0.126 0.000 1.040 331 I HN 0.204 nan 8.210 nan 0.000 0.405 332 C N 0.386 119.711 119.300 0.042 0.000 2.401 332 C HA -0.190 4.268 4.460 -0.004 0.000 0.276 332 C C 2.667 177.644 174.990 -0.023 0.000 1.233 332 C CA 0.944 59.970 59.018 0.015 0.000 1.753 332 C CB -1.390 26.362 27.740 0.019 0.000 2.029 332 C HN 0.531 nan 8.230 nan 0.000 0.478 333 E N 0.704 120.860 120.200 -0.073 0.000 2.028 333 E HA -0.131 4.217 4.350 -0.004 0.000 0.191 333 E C 2.209 178.736 176.600 -0.121 0.000 0.988 333 E CA 0.958 57.276 56.400 -0.136 0.000 0.799 333 E CB -0.268 29.288 29.700 -0.239 0.000 0.755 333 E HN 0.588 nan 8.360 nan 0.000 0.447 334 L N 0.839 121.994 121.223 -0.112 0.000 1.971 334 L HA -0.274 4.064 4.340 -0.004 0.000 0.215 334 L C 2.675 179.632 176.870 0.147 0.000 1.072 334 L CA 1.369 56.264 54.840 0.093 0.000 0.758 334 L CB -0.611 41.507 42.059 0.098 0.000 0.889 334 L HN 0.180 nan 8.230 nan 0.000 0.433 335 A N -0.207 122.665 122.820 0.086 0.000 1.892 335 A HA -0.273 4.045 4.320 -0.004 0.000 0.218 335 A C 2.307 179.917 177.584 0.043 0.000 1.188 335 A CA 2.104 54.189 52.037 0.081 0.000 0.631 335 A CB -0.502 18.538 19.000 0.067 0.000 0.822 335 A HN 0.346 nan 8.150 nan 0.000 0.447 336 K N -0.705 119.695 120.400 0.001 0.000 2.032 336 K HA -0.135 4.182 4.320 -0.004 0.000 0.209 336 K C 2.306 178.864 176.600 -0.070 0.000 1.048 336 K CA 1.418 57.687 56.287 -0.030 0.000 0.927 336 K CB -0.291 32.181 32.500 -0.046 0.000 0.712 336 K HN 0.484 nan 8.250 nan 0.000 0.441 337 A N -0.089 122.646 122.820 -0.141 0.000 1.878 337 A HA -0.061 4.257 4.320 -0.004 0.000 0.213 337 A C 1.735 179.148 177.584 -0.286 0.000 1.192 337 A CA 0.916 52.775 52.037 -0.297 0.000 0.619 337 A CB -0.533 18.140 19.000 -0.545 0.000 0.837 337 A HN 0.299 nan 8.150 nan 0.000 0.446 338 Y N -0.506 119.783 120.300 -0.018 0.000 2.523 338 Y HA 0.096 4.643 4.550 -0.004 0.000 0.279 338 Y C 1.758 177.663 175.900 0.008 0.000 1.139 338 Y CA 0.854 58.952 58.100 -0.004 0.000 1.296 338 Y CB 0.616 39.075 38.460 -0.002 0.000 1.045 338 Y HN 0.247 nan 8.280 nan 0.000 0.538 339 V N -5.537 114.452 119.914 0.125 0.000 3.411 339 V HA 0.537 4.655 4.120 -0.004 0.000 0.287 339 V C 1.243 177.372 176.094 0.057 0.000 1.543 339 V CA 0.123 62.478 62.300 0.092 0.000 1.028 339 V CB 0.274 32.156 31.823 0.099 0.000 0.840 339 V HN 0.187 nan 8.190 nan 0.000 0.435 340 G N 0.890 109.708 108.800 0.029 0.000 2.246 340 G HA2 -0.160 3.798 3.960 -0.004 0.000 0.273 340 G HA3 -0.160 3.798 3.960 -0.004 0.000 0.273 340 G C -0.173 174.741 174.900 0.024 0.000 1.055 340 G CA 0.428 45.535 45.100 0.012 0.000 0.851 340 G HN 0.994 nan 8.290 nan 0.000 0.500 341 V N 0.061 119.994 119.914 0.032 0.000 2.588 341 V HA 0.522 4.640 4.120 -0.004 0.000 0.304 341 V C -0.455 175.655 176.094 0.026 0.000 1.042 341 V CA -0.899 61.425 62.300 0.039 0.000 0.877 341 V CB 2.064 33.928 31.823 0.069 0.000 0.996 341 V HN 0.346 nan 8.190 nan 0.000 0.425 342 D N 6.000 126.410 120.400 0.016 0.000 2.313 342 D HA 0.384 5.022 4.640 -0.004 0.000 0.239 342 D C -1.657 174.650 176.300 0.012 0.000 1.142 342 D CA -2.059 51.947 54.000 0.009 0.000 0.847 342 D CB 2.311 43.113 40.800 0.002 0.000 1.082 342 D HN 0.161 nan 8.370 nan 0.000 0.480 343 P HA -0.181 nan 4.420 nan 0.000 0.216 343 P C 1.370 178.669 177.300 -0.002 0.000 1.150 343 P CA 1.059 64.167 63.100 0.013 0.000 0.843 343 P CB 0.141 31.851 31.700 0.015 0.000 0.787 344 V N -2.780 117.132 119.914 -0.002 0.000 2.951 344 V HA 0.020 4.137 4.120 -0.004 0.000 0.255 344 V C 2.149 178.238 176.094 -0.008 0.000 1.088 344 V CA 1.432 63.727 62.300 -0.008 0.000 1.109 344 V CB -1.042 30.779 31.823 -0.003 0.000 0.724 344 V HN 0.025 nan 8.190 nan 0.000 0.471 345 K N 0.060 120.456 120.400 -0.006 0.000 2.168 345 K HA 0.184 4.502 4.320 -0.004 0.000 0.201 345 K C 0.782 177.372 176.600 -0.018 0.000 1.049 345 K CA 0.622 56.903 56.287 -0.009 0.000 0.974 345 K CB 0.346 32.842 32.500 -0.006 0.000 0.792 345 K HN 0.647 nan 8.250 nan 0.000 0.463 346 E N 0.549 120.739 120.200 -0.017 0.000 2.392 346 E HA 0.342 4.690 4.350 -0.004 0.000 0.269 346 E C -2.738 173.841 176.600 -0.034 0.000 0.924 346 E CA -2.551 53.825 56.400 -0.039 0.000 0.784 346 E CB 2.399 32.082 29.700 -0.029 0.000 1.292 346 E HN 0.083 nan 8.360 nan 0.000 0.447 347 P HA 0.272 nan 4.420 nan 0.000 0.281 347 P C -0.573 176.796 177.300 0.115 0.000 1.249 347 P CA -0.170 62.911 63.100 -0.031 0.000 0.810 347 P CB 0.740 32.329 31.700 -0.186 0.000 1.008 348 I N 3.368 124.062 120.570 0.207 0.000 2.342 348 I HA 0.253 4.421 4.170 -0.004 0.000 0.291 348 I C -2.160 174.156 176.117 0.331 0.000 1.010 348 I CA -2.687 58.753 61.300 0.233 0.000 1.308 348 I CB 0.845 38.934 38.000 0.149 0.000 1.400 348 I HN 0.081 nan 8.210 nan 0.000 0.488 349 P HA 0.134 nan 4.420 nan 0.000 0.271 349 P C -0.831 176.499 177.300 0.051 0.000 1.226 349 P CA -0.080 63.067 63.100 0.079 0.000 0.765 349 P CB 0.753 32.479 31.700 0.043 0.000 0.835 350 V N 1.643 121.574 119.914 0.028 0.000 3.078 350 V HA 0.904 5.022 4.120 -0.004 0.000 0.311 350 V C -0.696 175.365 176.094 -0.055 0.000 1.138 350 V CA -1.124 61.184 62.300 0.012 0.000 1.007 350 V CB 2.690 34.548 31.823 0.059 0.000 1.045 350 V HN 0.660 nan 8.190 nan 0.000 0.432 351 R N 0.751 121.144 120.500 -0.179 0.000 2.716 351 R HA 0.687 5.025 4.340 -0.004 0.000 0.271 351 R C -3.418 172.633 176.300 -0.415 0.000 1.028 351 R CA -1.744 54.052 56.100 -0.507 0.000 0.883 351 R CB 1.560 31.564 30.300 -0.493 0.000 1.250 351 R HN 0.483 nan 8.270 nan 0.000 0.465 352 P HA 0.185 nan 4.420 nan 0.000 0.271 352 P C -0.897 176.411 177.300 0.012 0.000 1.218 352 P CA 0.111 63.083 63.100 -0.214 0.000 0.780 352 P CB 1.097 32.614 31.700 -0.306 0.000 0.901 353 T N -1.510 113.155 114.554 0.185 0.000 2.843 353 T HA 0.712 5.059 4.350 -0.004 0.000 0.302 353 T C -0.732 173.854 174.700 -0.190 0.000 1.232 353 T CA -1.081 61.076 62.100 0.096 0.000 1.009 353 T CB 1.230 70.109 68.868 0.020 0.000 1.254 353 T HN 0.283 nan 8.240 nan 0.000 0.504 354 A N 0.727 123.243 122.820 -0.507 0.000 2.451 354 A HA 0.470 4.787 4.320 -0.004 0.000 0.266 354 A C 0.530 177.951 177.584 -0.272 0.000 1.119 354 A CA 0.086 51.646 52.037 -0.795 0.000 0.786 354 A CB -0.412 18.012 19.000 -0.960 0.000 1.061 354 A HN 1.092 nan 8.150 nan 0.000 0.503 355 H N 1.652 120.551 119.070 -0.285 0.000 2.367 355 H HA 0.343 4.897 4.556 -0.003 0.000 0.304 355 H C -0.765 174.596 175.328 0.054 0.000 1.023 355 H CA 1.179 57.202 56.048 -0.041 0.000 1.342 355 H CB 0.216 30.031 29.762 0.088 0.000 1.486 355 H HN 0.668 nan 8.280 nan 0.000 0.596 356 Y N -0.021 120.144 120.300 -0.226 0.000 2.562 356 Y HA 0.460 5.008 4.550 -0.004 0.000 0.345 356 Y C -1.156 174.650 175.900 -0.156 0.000 1.045 356 Y CA -1.080 56.859 58.100 -0.269 0.000 1.028 356 Y CB 1.909 40.187 38.460 -0.303 0.000 1.297 356 Y HN 0.003 nan 8.280 nan 0.000 0.463 357 T N 6.669 120.626 114.554 -0.996 0.000 2.770 357 T HA 0.283 4.631 4.350 -0.004 0.000 0.297 357 T C 0.711 174.906 174.700 -0.842 0.000 0.997 357 T CA -0.434 61.251 62.100 -0.692 0.000 0.949 357 T CB 0.449 69.049 68.868 -0.446 0.000 0.941 357 T HN 0.730 nan 8.240 nan 0.000 0.457 358 M N 1.874 121.282 119.600 -0.319 0.000 2.495 358 M HA 0.236 4.714 4.480 -0.004 0.000 0.237 358 M C 1.302 177.645 176.300 0.071 0.000 1.131 358 M CA -0.012 55.267 55.300 -0.035 0.000 1.032 358 M CB 0.412 33.076 32.600 0.106 0.000 1.513 358 M HN 0.640 nan 8.290 nan 0.000 0.488 359 G N -0.569 108.224 108.800 -0.011 0.000 2.552 359 G HA2 0.757 4.714 3.960 -0.004 0.000 0.324 359 G HA3 0.757 4.714 3.960 -0.004 0.000 0.324 359 G C -0.354 174.510 174.900 -0.060 0.000 1.217 359 G CA -0.079 45.025 45.100 0.007 0.000 0.989 359 G HN 0.355 nan 8.290 nan 0.000 0.490 360 G N -1.418 107.346 108.800 -0.060 0.000 2.356 360 G HA2 0.230 4.188 3.960 -0.004 0.000 0.266 360 G HA3 0.230 4.188 3.960 -0.004 0.000 0.266 360 G C -0.979 173.871 174.900 -0.083 0.000 1.312 360 G CA -0.869 44.179 45.100 -0.087 0.000 0.922 360 G HN 0.692 nan 8.290 nan 0.000 0.480 361 I N 1.775 122.298 120.570 -0.078 0.000 2.529 361 I HA 0.238 4.406 4.170 -0.004 0.000 0.284 361 I C 0.686 176.780 176.117 -0.038 0.000 1.082 361 I CA -0.198 61.061 61.300 -0.068 0.000 1.406 361 I CB 1.390 39.356 38.000 -0.057 0.000 1.405 361 I HN 0.557 nan 8.210 nan 0.000 0.548 362 E N 6.493 126.660 120.200 -0.055 0.000 2.249 362 E HA 0.359 4.707 4.350 -0.004 0.000 0.280 362 E C -1.103 175.481 176.600 -0.027 0.000 1.016 362 E CA -0.305 56.064 56.400 -0.051 0.000 0.830 362 E CB 1.584 31.230 29.700 -0.089 0.000 1.081 362 E HN 0.709 nan 8.360 nan 0.000 0.395 363 T N 0.743 115.293 114.554 -0.006 0.000 2.865 363 T HA 0.373 4.721 4.350 -0.004 0.000 0.294 363 T C -0.259 174.420 174.700 -0.034 0.000 1.119 363 T CA -0.922 61.177 62.100 -0.001 0.000 1.007 363 T CB 1.235 70.138 68.868 0.059 0.000 1.225 363 T HN 0.485 nan 8.240 nan 0.000 0.515 364 D N 0.060 120.433 120.400 -0.044 0.000 2.414 364 D HA 0.104 4.742 4.640 -0.004 0.000 0.259 364 D C 1.521 177.768 176.300 -0.088 0.000 1.269 364 D CA -0.561 53.406 54.000 -0.056 0.000 1.028 364 D CB 0.294 41.065 40.800 -0.048 0.000 1.093 364 D HN 0.820 nan 8.370 nan 0.000 0.545 365 Q N -1.221 118.528 119.800 -0.085 0.000 2.297 365 Q HA -0.152 4.186 4.340 -0.004 0.000 0.204 365 Q C 1.056 176.894 176.000 -0.269 0.000 0.962 365 Q CA 0.817 56.545 55.803 -0.125 0.000 0.879 365 Q CB -0.378 28.333 28.738 -0.045 0.000 0.947 365 Q HN 0.325 nan 8.270 nan 0.000 0.462 366 N N 0.254 118.823 118.700 -0.219 0.000 2.494 366 N HA -0.035 4.703 4.740 -0.004 0.000 0.182 366 N C -0.259 175.075 175.510 -0.294 0.000 1.076 366 N CA 0.439 53.332 53.050 -0.262 0.000 0.908 366 N CB -0.084 38.318 38.487 -0.141 0.000 0.967 366 N HN 0.440 nan 8.380 nan 0.000 0.449 367 C N 0.043 119.178 119.300 -0.275 0.000 4.601 367 C HA -0.153 4.305 4.460 -0.004 0.000 0.269 367 C C 0.070 175.030 174.990 -0.050 0.000 1.241 367 C CA -0.061 58.763 59.018 -0.324 0.000 1.867 367 C CB -2.399 24.970 27.740 -0.618 0.000 1.404 367 C HN 0.583 nan 8.230 nan 0.000 0.721 368 E N 1.078 121.309 120.200 0.052 0.000 2.166 368 E HA 0.507 4.855 4.350 -0.004 0.000 0.275 368 E C 0.681 177.300 176.600 0.032 0.000 0.941 368 E CA 0.323 56.872 56.400 0.249 0.000 0.784 368 E CB 1.271 31.102 29.700 0.218 0.000 1.115 368 E HN 0.534 nan 8.360 nan 0.000 0.399 369 T N 1.842 116.306 114.554 -0.150 0.000 2.813 369 T HA 0.163 4.510 4.350 -0.004 0.000 0.297 369 T C 1.269 175.827 174.700 -0.238 0.000 1.036 369 T CA -0.623 61.337 62.100 -0.235 0.000 1.044 369 T CB 1.065 69.722 68.868 -0.352 0.000 0.993 369 T HN 0.486 nan 8.240 nan 0.000 0.535 370 R N 0.600 121.008 120.500 -0.154 0.000 2.159 370 R HA -0.024 4.314 4.340 -0.004 0.000 0.237 370 R C 2.093 178.318 176.300 -0.125 0.000 1.131 370 R CA 1.075 57.110 56.100 -0.109 0.000 0.982 370 R CB -0.850 29.408 30.300 -0.070 0.000 0.868 370 R HN 0.749 nan 8.270 nan 0.000 0.453 371 I N 0.840 121.299 120.570 -0.185 0.000 2.761 371 I HA -0.153 4.015 4.170 -0.004 0.000 0.261 371 I C 0.639 176.679 176.117 -0.128 0.000 1.198 371 I CA 0.642 61.853 61.300 -0.149 0.000 1.482 371 I CB 0.053 37.980 38.000 -0.122 0.000 1.100 371 I HN 0.032 nan 8.210 nan 0.000 0.445 372 K N 0.619 120.890 120.400 -0.215 0.000 3.192 372 K HA -0.197 4.120 4.320 -0.004 0.000 0.278 372 K C 0.584 177.264 176.600 0.132 0.000 1.164 372 K CA 0.606 56.871 56.287 -0.037 0.000 0.816 372 K CB -1.901 30.644 32.500 0.075 0.000 1.256 372 K HN 0.628 nan 8.250 nan 0.000 0.497 373 G N -0.528 108.156 108.800 -0.194 0.000 4.213 373 G HA2 0.108 4.066 3.960 -0.004 0.000 0.206 373 G HA3 0.108 4.066 3.960 -0.004 0.000 0.206 373 G C -0.519 174.266 174.900 -0.191 0.000 1.421 373 G CA -0.300 44.709 45.100 -0.151 0.000 0.997 373 G HN 0.047 nan 8.290 nan 0.000 0.456 374 L N 1.672 122.663 121.223 -0.387 0.000 2.371 374 L HA 0.768 5.106 4.340 -0.004 0.000 0.272 374 L C -1.162 175.485 176.870 -0.372 0.000 1.124 374 L CA -0.373 54.320 54.840 -0.245 0.000 0.816 374 L CB 0.693 42.587 42.059 -0.275 0.000 1.129 374 L HN 0.131 nan 8.230 nan 0.000 0.448 375 F N 2.596 122.511 119.950 -0.058 0.000 2.613 375 F HA 0.790 5.315 4.527 -0.004 0.000 0.314 375 F C -0.106 175.686 175.800 -0.013 0.000 1.075 375 F CA -0.581 57.411 58.000 -0.014 0.000 0.945 375 F CB 1.945 40.951 39.000 0.009 0.000 1.310 375 F HN 0.505 nan 8.300 nan 0.000 0.467 376 A N 1.427 124.371 122.820 0.207 0.000 2.422 376 A HA 0.843 5.161 4.320 -0.004 0.000 0.302 376 A C -1.870 175.789 177.584 0.125 0.000 1.041 376 A CA -0.821 51.278 52.037 0.102 0.000 0.708 376 A CB 1.888 20.893 19.000 0.008 0.000 1.257 376 A HN 0.820 nan 8.150 nan 0.000 0.414 377 V N 1.803 121.722 119.914 0.008 0.000 3.049 377 V HA 0.889 5.007 4.120 -0.004 0.000 0.309 377 V C 0.505 176.464 176.094 -0.225 0.000 1.148 377 V CA 1.169 63.362 62.300 -0.178 0.000 0.990 377 V CB 1.699 33.550 31.823 0.047 0.000 1.039 377 V HN 2.819 nan 8.190 nan 0.000 0.430 378 G N 4.160 112.750 108.800 -0.351 0.000 2.846 378 G HA2 -0.197 3.760 3.960 -0.004 0.000 0.225 378 G HA3 -0.197 3.760 3.960 -0.004 0.000 0.225 378 G C 0.576 175.403 174.900 -0.121 0.000 1.285 378 G CA 0.660 45.655 45.100 -0.175 0.000 1.055 378 G HN 0.992 nan 8.290 nan 0.000 0.579 379 E N -0.313 119.824 120.200 -0.106 0.000 2.166 379 E HA 0.059 4.406 4.350 -0.004 0.000 0.192 379 E C 2.051 178.526 176.600 -0.210 0.000 0.967 379 E CA 1.031 57.335 56.400 -0.161 0.000 0.840 379 E CB -0.049 29.553 29.700 -0.163 0.000 0.795 379 E HN 0.806 nan 8.360 nan 0.000 0.470 380 C N 1.690 120.892 119.300 -0.163 0.000 2.271 380 C HA 0.468 4.926 4.460 -0.004 0.000 0.364 380 C C 0.528 175.443 174.990 -0.125 0.000 1.337 380 C CA -0.850 58.079 59.018 -0.147 0.000 1.753 380 C CB -2.018 25.640 27.740 -0.136 0.000 2.123 380 C HN 0.105 nan 8.230 nan 0.000 0.577 381 S N -0.583 115.037 115.700 -0.132 0.000 2.538 381 S HA 0.665 5.133 4.470 -0.004 0.000 0.288 381 S C -0.815 173.728 174.600 -0.095 0.000 1.108 381 S CA -0.071 58.059 58.200 -0.116 0.000 0.971 381 S CB 1.708 64.802 63.200 -0.176 0.000 1.041 381 S HN 0.455 nan 8.310 nan 0.000 0.483 382 S N 2.671 118.341 115.700 -0.049 0.000 2.667 382 S HA 0.380 4.848 4.470 -0.004 0.000 0.304 382 S C 0.838 175.435 174.600 -0.006 0.000 1.135 382 S CA -0.662 57.523 58.200 -0.025 0.000 1.125 382 S CB 0.031 63.228 63.200 -0.005 0.000 0.996 382 S HN 0.884 nan 8.310 nan 0.000 0.474 383 V N 2.807 122.723 119.914 0.004 0.000 2.719 383 V HA 0.287 4.404 4.120 -0.004 0.000 0.252 383 V C 1.682 177.755 176.094 -0.034 0.000 1.065 383 V CA 0.613 62.948 62.300 0.058 0.000 1.086 383 V CB -1.589 30.327 31.823 0.155 0.000 0.700 383 V HN 1.244 nan 8.190 nan 0.000 0.467 384 G N 0.592 109.356 108.800 -0.060 0.000 2.255 384 G HA2 -0.193 3.765 3.960 -0.004 0.000 0.239 384 G HA3 -0.193 3.765 3.960 -0.004 0.000 0.239 384 G C 0.161 175.015 174.900 -0.077 0.000 1.083 384 G CA 0.331 45.428 45.100 -0.005 0.000 0.826 384 G HN 0.478 nan 8.290 nan 0.000 0.493 385 L N -1.051 120.022 121.223 -0.250 0.000 2.425 385 L HA 0.443 4.780 4.340 -0.004 0.000 0.215 385 L C 2.065 178.732 176.870 -0.338 0.000 1.065 385 L CA 1.515 56.127 54.840 -0.381 0.000 0.842 385 L CB -0.138 41.535 42.059 -0.642 0.000 1.033 385 L HN 0.300 nan 8.230 nan 0.000 0.474 386 H N -0.346 118.655 119.070 -0.115 0.000 2.497 386 H HA 0.403 4.957 4.556 -0.003 0.000 0.282 386 H C 1.543 176.763 175.328 -0.181 0.000 1.003 386 H CA 0.419 56.390 56.048 -0.128 0.000 1.307 386 H CB -0.168 29.566 29.762 -0.046 0.000 1.437 386 H HN 0.370 nan 8.280 nan 0.000 0.544 387 G N 0.739 109.505 108.800 -0.058 0.000 2.561 387 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.289 387 G HA3 -0.374 3.584 3.960 -0.004 0.000 0.289 387 G C 1.398 176.048 174.900 -0.416 0.000 1.169 387 G CA 1.606 46.618 45.100 -0.147 0.000 0.980 387 G HN 0.634 nan 8.290 nan 0.000 0.550 388 A N -0.433 122.058 122.820 -0.549 0.000 1.862 388 A HA 0.392 4.710 4.320 -0.004 0.000 0.211 388 A C 1.139 178.155 177.584 -0.947 0.000 1.220 388 A CA 1.795 53.118 52.037 -1.189 0.000 0.616 388 A CB -0.071 18.675 19.000 -0.423 0.000 0.878 388 A HN 0.705 nan 8.150 nan 0.000 0.453 389 N N 0.174 118.638 118.700 -0.394 0.000 2.372 389 N HA 0.273 5.011 4.740 -0.004 0.000 0.291 389 N C -0.735 174.694 175.510 -0.136 0.000 1.024 389 N CA -0.398 52.530 53.050 -0.203 0.000 0.873 389 N CB 1.531 39.961 38.487 -0.095 0.000 1.206 389 N HN 0.319 nan 8.380 nan 0.000 0.486 390 R N 2.097 122.543 120.500 -0.090 0.000 2.491 390 R HA 0.229 4.566 4.340 -0.004 0.000 0.283 390 R C -0.453 175.812 176.300 -0.060 0.000 1.072 390 R CA -0.060 55.979 56.100 -0.102 0.000 1.048 390 R CB 0.425 30.570 30.300 -0.258 0.000 0.983 390 R HN 0.413 nan 8.270 nan 0.000 0.450 391 L N 1.698 122.901 121.223 -0.034 0.000 2.491 391 L HA 0.396 4.734 4.340 -0.004 0.000 0.264 391 L C 1.860 178.775 176.870 0.076 0.000 1.053 391 L CA -0.138 54.705 54.840 0.005 0.000 0.858 391 L CB 0.619 42.661 42.059 -0.028 0.000 1.519 391 L HN 0.796 nan 8.230 nan 0.000 0.508 392 G N -1.097 107.775 108.800 0.121 0.000 2.479 392 G HA2 -0.160 3.798 3.960 -0.004 0.000 0.220 392 G HA3 -0.160 3.798 3.960 -0.004 0.000 0.220 392 G C 0.512 175.553 174.900 0.234 0.000 1.115 392 G CA 0.390 45.620 45.100 0.215 0.000 0.757 392 G HN 0.462 nan 8.290 nan 0.000 0.560 393 S N 1.391 117.228 115.700 0.229 0.000 2.962 393 S HA 0.105 4.573 4.470 -0.004 0.000 0.320 393 S C 0.218 174.976 174.600 0.263 0.000 1.186 393 S CA -0.364 58.049 58.200 0.355 0.000 1.180 393 S CB -0.308 63.044 63.200 0.253 0.000 1.491 393 S HN 0.486 nan 8.310 nan 0.000 0.556 394 N N 1.452 120.274 118.700 0.203 0.000 2.395 394 N HA -0.023 4.715 4.740 -0.004 0.000 0.246 394 N C 1.290 176.853 175.510 0.089 0.000 1.246 394 N CA -0.099 52.998 53.050 0.079 0.000 0.879 394 N CB 0.398 38.890 38.487 0.009 0.000 1.098 394 N HN 0.454 nan 8.380 nan 0.000 0.444 395 S N 2.069 117.712 115.700 -0.095 0.000 2.474 395 S HA -0.021 4.447 4.470 -0.004 0.000 0.235 395 S C 1.514 176.117 174.600 0.005 0.000 0.997 395 S CA 0.751 58.874 58.200 -0.129 0.000 0.949 395 S CB -0.172 62.645 63.200 -0.638 0.000 0.766 395 S HN 0.478 nan 8.310 nan 0.000 0.517 396 L N 0.808 122.042 121.223 0.018 0.000 2.093 396 L HA 0.013 4.351 4.340 -0.004 0.000 0.208 396 L C 2.915 179.877 176.870 0.153 0.000 1.085 396 L CA 1.136 56.025 54.840 0.082 0.000 0.755 396 L CB -0.620 41.486 42.059 0.079 0.000 0.904 396 L HN 0.439 nan 8.230 nan 0.000 0.435 397 A N -0.635 122.300 122.820 0.192 0.000 2.067 397 A HA -0.216 4.102 4.320 -0.004 0.000 0.219 397 A C 2.241 180.116 177.584 0.485 0.000 1.158 397 A CA 1.377 53.566 52.037 0.253 0.000 0.661 397 A CB -0.395 18.734 19.000 0.216 0.000 0.801 397 A HN 0.475 nan 8.150 nan 0.000 0.452 398 E N 0.382 120.847 120.200 0.442 0.000 2.051 398 E HA -0.164 4.184 4.350 -0.004 0.000 0.192 398 E C 1.783 178.574 176.600 0.318 0.000 0.991 398 E CA 1.143 57.764 56.400 0.368 0.000 0.799 398 E CB -0.235 29.542 29.700 0.129 0.000 0.748 398 E HN 0.648 nan 8.360 nan 0.000 0.449 399 L N 0.856 122.203 121.223 0.207 0.000 2.187 399 L HA -0.172 4.166 4.340 -0.004 0.000 0.213 399 L C 2.575 179.583 176.870 0.229 0.000 1.100 399 L CA 1.172 56.114 54.840 0.170 0.000 0.765 399 L CB -0.601 41.534 42.059 0.126 0.000 0.904 399 L HN 0.228 nan 8.230 nan 0.000 0.437 400 V N -5.321 114.745 119.914 0.253 0.000 2.690 400 V HA 0.033 4.151 4.120 -0.004 0.000 0.240 400 V C 2.165 178.410 176.094 0.252 0.000 1.078 400 V CA 0.392 62.837 62.300 0.241 0.000 1.102 400 V CB -0.093 31.857 31.823 0.212 0.000 0.800 400 V HN 0.062 nan 8.190 nan 0.000 0.479 401 V N -0.074 120.010 119.914 0.285 0.000 2.379 401 V HA -0.119 3.999 4.120 -0.004 0.000 0.245 401 V C 2.391 178.706 176.094 0.369 0.000 1.044 401 V CA 2.456 64.934 62.300 0.296 0.000 1.036 401 V CB -0.865 31.099 31.823 0.235 0.000 0.664 401 V HN 0.533 nan 8.190 nan 0.000 0.453 402 F N 2.229 122.338 119.950 0.266 0.000 2.146 402 F HA 0.014 4.539 4.527 -0.004 0.000 0.298 402 F C 2.229 178.083 175.800 0.090 0.000 1.096 402 F CA 1.562 59.653 58.000 0.152 0.000 1.275 402 F CB -0.810 38.259 39.000 0.115 0.000 1.008 402 F HN 0.148 nan 8.300 nan 0.000 0.480 403 G N -0.203 108.849 108.800 0.420 0.000 2.432 403 G HA2 -0.307 3.651 3.960 -0.004 0.000 0.219 403 G HA3 -0.307 3.651 3.960 -0.004 0.000 0.219 403 G C 1.766 176.752 174.900 0.143 0.000 1.135 403 G CA 0.778 46.047 45.100 0.280 0.000 0.767 403 G HN 0.363 nan 8.290 nan 0.000 0.550 404 R N -0.157 120.423 120.500 0.134 0.000 2.081 404 R HA 0.086 4.424 4.340 -0.004 0.000 0.235 404 R C 2.416 178.715 176.300 -0.001 0.000 1.131 404 R CA 1.056 57.210 56.100 0.090 0.000 0.960 404 R CB -0.322 30.053 30.300 0.126 0.000 0.856 404 R HN 0.396 nan 8.270 nan 0.000 0.436 405 L N -0.189 120.988 121.223 -0.077 0.000 2.095 405 L HA 0.040 4.378 4.340 -0.004 0.000 0.204 405 L C 2.592 179.327 176.870 -0.226 0.000 1.080 405 L CA 0.916 55.635 54.840 -0.202 0.000 0.759 405 L CB -0.535 41.299 42.059 -0.376 0.000 0.914 405 L HN 0.295 nan 8.230 nan 0.000 0.439 406 A N 0.292 122.989 122.820 -0.205 0.000 2.084 406 A HA -0.158 4.160 4.320 -0.004 0.000 0.221 406 A C 2.261 179.739 177.584 -0.177 0.000 1.161 406 A CA 1.929 53.878 52.037 -0.147 0.000 0.653 406 A CB -0.916 18.165 19.000 0.135 0.000 0.802 406 A HN 0.489 nan 8.150 nan 0.000 0.457 407 G N -1.341 107.386 108.800 -0.123 0.000 2.556 407 G HA2 -0.001 3.957 3.960 -0.004 0.000 0.209 407 G HA3 -0.001 3.957 3.960 -0.004 0.000 0.209 407 G C 1.306 176.120 174.900 -0.144 0.000 1.159 407 G CA 0.571 45.597 45.100 -0.123 0.000 0.828 407 G HN 0.540 nan 8.290 nan 0.000 0.553 408 E N 0.074 120.202 120.200 -0.119 0.000 2.219 408 E HA -0.159 4.189 4.350 -0.004 0.000 0.198 408 E C 2.553 179.073 176.600 -0.134 0.000 0.998 408 E CA 0.915 57.251 56.400 -0.106 0.000 0.818 408 E CB 0.144 29.795 29.700 -0.083 0.000 0.741 408 E HN 0.323 nan 8.360 nan 0.000 0.477 409 Q N -0.735 118.944 119.800 -0.202 0.000 2.200 409 Q HA 0.088 4.426 4.340 -0.004 0.000 0.197 409 Q C 2.100 177.929 176.000 -0.284 0.000 0.953 409 Q CA 0.985 56.660 55.803 -0.212 0.000 0.851 409 Q CB -0.256 28.350 28.738 -0.220 0.000 0.938 409 Q HN 0.205 nan 8.270 nan 0.000 0.488 410 A N 0.445 122.948 122.820 -0.529 0.000 2.070 410 A HA -0.138 4.180 4.320 -0.004 0.000 0.220 410 A C 2.245 179.721 177.584 -0.180 0.000 1.159 410 A CA 1.957 53.668 52.037 -0.544 0.000 0.656 410 A CB -0.660 17.930 19.000 -0.684 0.000 0.800 410 A HN 0.366 nan 8.150 nan 0.000 0.453 411 T N -0.800 113.666 114.554 -0.146 0.000 2.896 411 T HA -0.081 4.267 4.350 -0.004 0.000 0.263 411 T C 1.695 176.367 174.700 -0.046 0.000 1.050 411 T CA 1.557 63.611 62.100 -0.076 0.000 1.140 411 T CB -0.235 68.589 68.868 -0.072 0.000 0.877 411 T HN 0.653 nan 8.240 nan 0.000 0.457 412 E N 0.026 120.197 120.200 -0.047 0.000 2.204 412 E HA -0.085 4.263 4.350 -0.004 0.000 0.194 412 E C 2.339 178.939 176.600 -0.000 0.000 0.989 412 E CA 0.600 56.987 56.400 -0.023 0.000 0.824 412 E CB 0.020 29.707 29.700 -0.022 0.000 0.756 412 E HN 0.124 nan 8.360 nan 0.000 0.477 413 R N 0.803 121.318 120.500 0.025 0.000 2.127 413 R HA 0.066 4.404 4.340 -0.004 0.000 0.217 413 R C 1.847 178.154 176.300 0.011 0.000 1.074 413 R CA 1.241 57.380 56.100 0.065 0.000 0.991 413 R CB -0.453 29.978 30.300 0.218 0.000 0.895 413 R HN 0.111 nan 8.270 nan 0.000 0.450 414 A N 0.109 122.936 122.820 0.012 0.000 1.930 414 A HA 0.037 4.355 4.320 -0.004 0.000 0.217 414 A C 2.261 179.827 177.584 -0.029 0.000 1.175 414 A CA 1.568 53.599 52.037 -0.010 0.000 0.627 414 A CB -0.792 18.212 19.000 0.006 0.000 0.815 414 A HN 0.416 nan 8.150 nan 0.000 0.443 415 A N -0.384 122.422 122.820 -0.023 0.000 1.854 415 A HA -0.012 4.306 4.320 -0.004 0.000 0.214 415 A C 2.161 179.728 177.584 -0.028 0.000 1.192 415 A CA 2.104 54.127 52.037 -0.023 0.000 0.611 415 A CB -1.033 17.956 19.000 -0.019 0.000 0.832 415 A HN 0.756 nan 8.150 nan 0.000 0.442 416 T N -3.081 111.456 114.554 -0.029 0.000 3.206 416 T HA 0.554 4.902 4.350 -0.004 0.000 0.253 416 T C 1.355 176.026 174.700 -0.049 0.000 1.042 416 T CA 0.684 62.766 62.100 -0.030 0.000 0.931 416 T CB 0.384 69.241 68.868 -0.019 0.000 1.029 416 T HN 0.447 nan 8.240 nan 0.000 0.564 417 A N 1.586 124.359 122.820 -0.077 0.000 1.933 417 A HA 0.481 4.799 4.320 -0.004 0.000 0.218 417 A C 1.811 179.325 177.584 -0.117 0.000 1.175 417 A CA 1.022 52.972 52.037 -0.145 0.000 0.628 417 A CB -1.288 17.572 19.000 -0.233 0.000 0.814 417 A HN 1.493 nan 8.150 nan 0.000 0.444 418 G N -1.300 107.454 108.800 -0.077 0.000 2.681 418 G HA2 -0.146 3.811 3.960 -0.004 0.000 0.220 418 G HA3 -0.146 3.811 3.960 -0.004 0.000 0.220 418 G C -0.514 174.352 174.900 -0.057 0.000 1.353 418 G CA -0.074 44.993 45.100 -0.055 0.000 0.872 418 G HN 0.636 nan 8.290 nan 0.000 0.557 419 N N 0.027 118.705 118.700 -0.037 0.000 2.432 419 N HA 0.762 5.500 4.740 -0.004 0.000 0.292 419 N C 0.410 175.911 175.510 -0.015 0.000 1.193 419 N CA 0.396 53.431 53.050 -0.025 0.000 0.878 419 N CB 1.665 40.142 38.487 -0.016 0.000 1.252 419 N HN 1.230 nan 8.380 nan 0.000 0.520 420 G N -0.309 108.489 108.800 -0.002 0.000 2.658 420 G HA2 0.161 4.118 3.960 -0.004 0.000 0.292 420 G HA3 0.161 4.118 3.960 -0.004 0.000 0.292 420 G C -0.549 174.358 174.900 0.013 0.000 1.320 420 G CA -0.495 44.613 45.100 0.012 0.000 0.933 420 G HN 0.499 nan 8.290 nan 0.000 0.476 421 N N -0.150 118.560 118.700 0.016 0.000 2.292 421 N HA -0.054 4.684 4.740 -0.004 0.000 0.258 421 N C 0.715 176.234 175.510 0.015 0.000 1.261 421 N CA 0.681 53.739 53.050 0.014 0.000 0.845 421 N CB 0.925 39.421 38.487 0.016 0.000 1.064 421 N HN 0.667 nan 8.380 nan 0.000 0.471 422 E N 2.107 122.314 120.200 0.011 0.000 2.364 422 E HA 0.136 4.484 4.350 -0.004 0.000 0.203 422 E C 1.280 177.886 176.600 0.010 0.000 0.888 422 E CA 0.289 56.695 56.400 0.010 0.000 0.989 422 E CB 0.100 29.804 29.700 0.007 0.000 0.985 422 E HN 0.716 nan 8.360 nan 0.000 0.499 423 A N 1.206 124.030 122.820 0.008 0.000 1.970 423 A HA 0.101 4.419 4.320 -0.004 0.000 0.216 423 A C 2.187 179.776 177.584 0.009 0.000 1.170 423 A CA 1.413 53.454 52.037 0.007 0.000 0.645 423 A CB -0.183 18.820 19.000 0.006 0.000 0.816 423 A HN 0.218 nan 8.150 nan 0.000 0.447 424 A N -0.927 121.899 122.820 0.010 0.000 2.238 424 A HA 0.311 4.629 4.320 -0.004 0.000 0.210 424 A C 1.643 179.236 177.584 0.014 0.000 1.179 424 A CA 0.323 52.367 52.037 0.011 0.000 0.827 424 A CB -0.207 18.799 19.000 0.011 0.000 0.856 424 A HN 0.322 nan 8.150 nan 0.000 0.488 425 I N 0.644 121.223 120.570 0.015 0.000 2.353 425 I HA -0.149 4.019 4.170 -0.004 0.000 0.248 425 I C 2.004 178.129 176.117 0.013 0.000 1.119 425 I CA 1.213 62.523 61.300 0.016 0.000 1.417 425 I CB -1.322 36.690 38.000 0.020 0.000 1.078 425 I HN 0.443 nan 8.210 nan 0.000 0.421 426 E N 0.685 120.893 120.200 0.012 0.000 2.338 426 E HA -0.099 4.249 4.350 -0.004 0.000 0.197 426 E C 2.219 178.825 176.600 0.010 0.000 1.007 426 E CA 0.902 57.309 56.400 0.011 0.000 0.849 426 E CB 0.042 29.748 29.700 0.011 0.000 0.774 426 E HN 0.453 nan 8.360 nan 0.000 0.506 427 A N 1.048 123.874 122.820 0.010 0.000 1.929 427 A HA -0.171 4.147 4.320 -0.004 0.000 0.216 427 A C 2.020 179.609 177.584 0.009 0.000 1.176 427 A CA 0.918 52.960 52.037 0.009 0.000 0.628 427 A CB -0.152 18.853 19.000 0.009 0.000 0.816 427 A HN 0.126 nan 8.150 nan 0.000 0.444 428 Q N -0.805 119.001 119.800 0.010 0.000 2.230 428 Q HA -0.012 4.325 4.340 -0.004 0.000 0.202 428 Q C 2.290 178.294 176.000 0.007 0.000 0.963 428 Q CA 1.004 56.813 55.803 0.009 0.000 0.866 428 Q CB -0.241 28.504 28.738 0.010 0.000 0.931 428 Q HN 0.681 nan 8.270 nan 0.000 0.452 429 A N 0.667 123.491 122.820 0.007 0.000 1.968 429 A HA 0.016 4.334 4.320 -0.004 0.000 0.217 429 A C 2.157 179.747 177.584 0.010 0.000 1.169 429 A CA 1.293 53.334 52.037 0.007 0.000 0.638 429 A CB -0.334 18.671 19.000 0.009 0.000 0.812 429 A HN 0.356 nan 8.150 nan 0.000 0.446 430 A N -0.546 122.280 122.820 0.010 0.000 2.016 430 A HA 0.284 4.601 4.320 -0.004 0.000 0.217 430 A C 2.244 179.833 177.584 0.009 0.000 1.162 430 A CA 1.470 53.513 52.037 0.009 0.000 0.662 430 A CB -0.983 18.022 19.000 0.009 0.000 0.812 430 A HN 0.577 nan 8.150 nan 0.000 0.450 431 G N -0.413 108.392 108.800 0.008 0.000 2.434 431 G HA2 -0.120 3.838 3.960 -0.004 0.000 0.214 431 G HA3 -0.120 3.838 3.960 -0.004 0.000 0.214 431 G C 1.650 176.556 174.900 0.010 0.000 1.202 431 G CA 1.254 46.359 45.100 0.008 0.000 0.788 431 G HN 0.618 nan 8.290 nan 0.000 0.539 432 V N 0.727 120.647 119.914 0.010 0.000 2.282 432 V HA -0.252 3.866 4.120 -0.004 0.000 0.249 432 V C 2.504 178.608 176.094 0.015 0.000 1.057 432 V CA 3.132 65.440 62.300 0.013 0.000 1.032 432 V CB -0.399 31.430 31.823 0.009 0.000 0.645 432 V HN 0.620 nan 8.190 nan 0.000 0.447 433 E N -0.892 119.316 120.200 0.013 0.000 2.085 433 E HA -0.337 4.010 4.350 -0.004 0.000 0.194 433 E C 2.236 178.842 176.600 0.010 0.000 0.994 433 E CA 1.840 58.248 56.400 0.014 0.000 0.801 433 E CB -0.196 29.512 29.700 0.013 0.000 0.743 433 E HN 0.755 nan 8.360 nan 0.000 0.453 434 Q N 0.869 120.673 119.800 0.008 0.000 2.083 434 Q HA -0.096 4.241 4.340 -0.004 0.000 0.198 434 Q C 1.979 177.982 176.000 0.004 0.000 0.969 434 Q CA 1.674 57.479 55.803 0.004 0.000 0.838 434 Q CB -0.090 28.650 28.738 0.004 0.000 0.900 434 Q HN 0.164 nan 8.270 nan 0.000 0.436 435 R N -0.178 120.327 120.500 0.007 0.000 2.120 435 R HA -0.063 4.275 4.340 -0.004 0.000 0.234 435 R C 2.177 178.483 176.300 0.010 0.000 1.123 435 R CA 1.163 57.268 56.100 0.009 0.000 0.975 435 R CB -0.499 29.809 30.300 0.014 0.000 0.866 435 R HN 0.296 nan 8.270 nan 0.000 0.446 436 L N 1.355 122.587 121.223 0.015 0.000 2.027 436 L HA -0.161 4.176 4.340 -0.004 0.000 0.206 436 L C 1.954 178.824 176.870 -0.000 0.000 1.074 436 L CA 1.904 56.754 54.840 0.018 0.000 0.745 436 L CB -0.496 41.580 42.059 0.028 0.000 0.898 436 L HN 0.146 nan 8.230 nan 0.000 0.433 437 K N -0.294 120.104 120.400 -0.003 0.000 2.209 437 K HA -0.192 4.126 4.320 -0.004 0.000 0.204 437 K C 1.550 178.139 176.600 -0.018 0.000 1.048 437 K CA 1.499 57.779 56.287 -0.012 0.000 0.940 437 K CB 0.089 32.584 32.500 -0.008 0.000 0.729 437 K HN 0.379 nan 8.250 nan 0.000 0.451 438 D N 0.921 121.312 120.400 -0.015 0.000 2.144 438 D HA -0.187 4.451 4.640 -0.004 0.000 0.199 438 D C 1.777 178.056 176.300 -0.036 0.000 0.984 438 D CA 0.795 54.783 54.000 -0.021 0.000 0.834 438 D CB -0.061 40.731 40.800 -0.013 0.000 0.955 438 D HN 0.204 nan 8.370 nan 0.000 0.465 439 L N 0.244 121.445 121.223 -0.037 0.000 2.217 439 L HA -0.103 4.235 4.340 -0.004 0.000 0.211 439 L C 2.075 178.900 176.870 -0.075 0.000 1.107 439 L CA 0.535 55.336 54.840 -0.065 0.000 0.783 439 L CB 0.204 42.237 42.059 -0.043 0.000 0.919 439 L HN -0.125 nan 8.230 nan 0.000 0.442 440 V N -0.007 119.875 119.914 -0.053 0.000 2.283 440 V HA -0.213 3.905 4.120 -0.004 0.000 0.243 440 V C 1.903 177.966 176.094 -0.052 0.000 1.039 440 V CA 1.812 64.079 62.300 -0.054 0.000 1.016 440 V CB -0.689 31.110 31.823 -0.042 0.000 0.650 440 V HN 0.519 nan 8.190 nan 0.000 0.449 441 N N 0.076 118.750 118.700 -0.042 0.000 2.550 441 N HA -0.068 4.670 4.740 -0.004 0.000 0.186 441 N C 1.062 176.545 175.510 -0.045 0.000 1.110 441 N CA 0.250 53.278 53.050 -0.037 0.000 0.912 441 N CB -0.220 38.250 38.487 -0.028 0.000 0.968 441 N HN 0.592 nan 8.380 nan 0.000 0.448 442 Q N 1.472 121.236 119.800 -0.060 0.000 2.271 442 Q HA 0.006 4.344 4.340 -0.004 0.000 0.273 442 Q C -0.996 174.957 176.000 -0.077 0.000 1.051 442 Q CA 0.392 56.150 55.803 -0.075 0.000 0.901 442 Q CB 0.422 29.094 28.738 -0.109 0.000 1.174 442 Q HN 0.092 nan 8.270 nan 0.000 0.385 443 D N 1.756 122.119 120.400 -0.062 0.000 2.450 443 D HA 0.612 5.250 4.640 -0.004 0.000 0.238 443 D C 0.263 176.532 176.300 -0.051 0.000 1.020 443 D CA -0.040 53.928 54.000 -0.052 0.000 1.010 443 D CB 2.026 42.805 40.800 -0.036 0.000 1.342 443 D HN 0.711 nan 8.370 nan 0.000 0.530 444 G N -1.437 107.339 108.800 -0.039 0.000 3.953 444 G HA2 0.244 4.202 3.960 -0.004 0.000 0.175 444 G HA3 0.244 4.202 3.960 -0.004 0.000 0.175 444 G C 0.732 175.620 174.900 -0.020 0.000 0.875 444 G CA 0.701 45.782 45.100 -0.032 0.000 0.908 444 G HN 1.065 nan 8.290 nan 0.000 0.367 445 G N 0.230 109.019 108.800 -0.018 0.000 2.131 445 G HA2 -0.129 3.829 3.960 -0.004 0.000 0.201 445 G HA3 -0.129 3.829 3.960 -0.004 0.000 0.201 445 G C -0.253 174.648 174.900 0.001 0.000 1.000 445 G CA 0.511 45.607 45.100 -0.007 0.000 0.680 445 G HN 0.689 nan 8.290 nan 0.000 0.514 446 E N 0.127 120.329 120.200 0.003 0.000 2.183 446 E HA 0.388 4.736 4.350 -0.004 0.000 0.271 446 E C -0.355 176.271 176.600 0.043 0.000 0.919 446 E CA -1.011 55.399 56.400 0.016 0.000 0.781 446 E CB 1.108 30.816 29.700 0.014 0.000 1.140 446 E HN 0.109 nan 8.360 nan 0.000 0.402 447 N N 2.947 121.671 118.700 0.039 0.000 2.497 447 N HA -0.019 4.719 4.740 -0.004 0.000 0.271 447 N C 0.715 176.272 175.510 0.079 0.000 1.142 447 N CA -0.297 52.788 53.050 0.058 0.000 0.965 447 N CB 0.506 38.981 38.487 -0.019 0.000 1.077 447 N HN 0.688 nan 8.380 nan 0.000 0.462 448 W N 3.896 125.206 121.300 0.017 0.000 2.425 448 W HA -0.047 4.612 4.660 -0.003 0.000 0.277 448 W C 0.866 177.416 176.519 0.052 0.000 1.231 448 W CA 0.902 58.280 57.345 0.055 0.000 1.248 448 W CB -1.169 28.332 29.460 0.068 0.000 1.117 448 W HN 0.535 nan 8.180 nan 0.000 0.568 449 A N 2.222 124.528 122.820 -0.857 0.000 1.873 449 A HA -0.184 4.134 4.320 -0.004 0.000 0.215 449 A C 2.127 179.480 177.584 -0.386 0.000 1.186 449 A CA 1.865 53.365 52.037 -0.896 0.000 0.616 449 A CB -0.661 17.850 19.000 -0.816 0.000 0.823 449 A HN 0.084 nan 8.150 nan 0.000 0.442 450 K N 0.150 120.411 120.400 -0.231 0.000 2.152 450 K HA -0.100 4.218 4.320 -0.004 0.000 0.206 450 K C 1.781 178.333 176.600 -0.080 0.000 1.048 450 K CA 1.087 57.299 56.287 -0.126 0.000 0.933 450 K CB -0.646 31.809 32.500 -0.075 0.000 0.721 450 K HN 0.506 nan 8.250 nan 0.000 0.447 451 I N 0.856 121.403 120.570 -0.039 0.000 2.252 451 I HA -0.175 3.993 4.170 -0.004 0.000 0.245 451 I C 2.554 178.663 176.117 -0.012 0.000 1.102 451 I CA 1.050 62.361 61.300 0.019 0.000 1.385 451 I CB -0.969 37.109 38.000 0.130 0.000 1.064 451 I HN 0.224 nan 8.210 nan 0.000 0.414 452 R N 1.069 121.543 120.500 -0.043 0.000 2.096 452 R HA -0.175 4.162 4.340 -0.004 0.000 0.235 452 R C 1.770 178.009 176.300 -0.102 0.000 1.127 452 R CA 1.672 57.738 56.100 -0.057 0.000 0.968 452 R CB -0.031 30.204 30.300 -0.109 0.000 0.861 452 R HN 0.340 nan 8.270 nan 0.000 0.440 453 D N 0.387 120.705 120.400 -0.137 0.000 2.097 453 D HA -0.135 4.502 4.640 -0.004 0.000 0.197 453 D C 1.710 177.943 176.300 -0.111 0.000 0.984 453 D CA 1.281 55.200 54.000 -0.135 0.000 0.826 453 D CB -0.093 40.624 40.800 -0.137 0.000 0.973 453 D HN 0.429 nan 8.370 nan 0.000 0.460 454 E N 0.306 120.455 120.200 -0.085 0.000 2.112 454 E HA -0.071 4.277 4.350 -0.004 0.000 0.190 454 E C 2.117 178.673 176.600 -0.073 0.000 0.979 454 E CA 0.185 56.545 56.400 -0.066 0.000 0.814 454 E CB -0.064 29.610 29.700 -0.043 0.000 0.762 454 E HN 0.186 nan 8.360 nan 0.000 0.460 455 M N 0.721 120.277 119.600 -0.074 0.000 2.082 455 M HA -0.158 4.320 4.480 -0.004 0.000 0.258 455 M C 2.175 178.391 176.300 -0.140 0.000 1.069 455 M CA 2.242 57.486 55.300 -0.094 0.000 1.102 455 M CB -0.364 32.190 32.600 -0.076 0.000 1.336 455 M HN 0.154 nan 8.290 nan 0.000 0.404 456 G N 0.682 109.404 108.800 -0.131 0.000 2.446 456 G HA2 -0.218 3.740 3.960 -0.004 0.000 0.217 456 G HA3 -0.218 3.740 3.960 -0.004 0.000 0.217 456 G C 1.420 176.238 174.900 -0.135 0.000 1.168 456 G CA 1.049 46.062 45.100 -0.144 0.000 0.771 456 G HN 0.479 nan 8.290 nan 0.000 0.551 457 L N 0.727 121.875 121.223 -0.125 0.000 2.012 457 L HA -0.108 4.230 4.340 -0.004 0.000 0.210 457 L C 3.427 180.267 176.870 -0.050 0.000 1.073 457 L CA 1.331 56.122 54.840 -0.083 0.000 0.748 457 L CB -0.336 41.682 42.059 -0.067 0.000 0.891 457 L HN 0.314 nan 8.230 nan 0.000 0.431 458 A N -0.909 121.870 122.820 -0.068 0.000 1.898 458 A HA -0.205 4.113 4.320 -0.004 0.000 0.216 458 A C 2.316 179.854 177.584 -0.077 0.000 1.181 458 A CA 1.494 53.498 52.037 -0.055 0.000 0.620 458 A CB -0.374 18.591 19.000 -0.059 0.000 0.819 458 A HN 0.291 nan 8.150 nan 0.000 0.442 459 M N -0.987 118.499 119.600 -0.190 0.000 2.086 459 M HA -0.141 4.337 4.480 -0.004 0.000 0.261 459 M C 2.131 178.388 176.300 -0.072 0.000 1.067 459 M CA 2.013 57.092 55.300 -0.369 0.000 1.116 459 M CB -0.948 31.050 32.600 -1.004 0.000 1.348 459 M HN 0.605 nan 8.290 nan 0.000 0.407 460 E N 0.672 120.939 120.200 0.113 0.000 2.077 460 E HA -0.211 4.137 4.350 -0.004 0.000 0.193 460 E C 1.813 178.545 176.600 0.221 0.000 0.989 460 E CA 1.711 58.322 56.400 0.352 0.000 0.800 460 E CB -0.116 29.745 29.700 0.268 0.000 0.746 460 E HN 0.497 nan 8.360 nan 0.000 0.452 461 E N -1.380 118.890 120.200 0.118 0.000 2.152 461 E HA -0.070 4.278 4.350 -0.004 0.000 0.192 461 E C 1.802 178.481 176.600 0.131 0.000 0.983 461 E CA 0.958 57.421 56.400 0.105 0.000 0.818 461 E CB -0.207 29.529 29.700 0.059 0.000 0.758 461 E HN 0.389 nan 8.360 nan 0.000 0.467 462 G N -0.541 108.323 108.800 0.107 0.000 2.441 462 G HA2 -0.126 3.832 3.960 -0.004 0.000 0.212 462 G HA3 -0.126 3.832 3.960 -0.004 0.000 0.212 462 G C 0.734 175.720 174.900 0.144 0.000 1.164 462 G CA 0.268 45.425 45.100 0.096 0.000 0.811 462 G HN 0.275 nan 8.290 nan 0.000 0.535 463 C N 2.315 121.739 119.300 0.206 0.000 2.683 463 C HA 0.630 5.087 4.460 -0.004 0.000 0.371 463 C C 1.456 176.664 174.990 0.363 0.000 1.330 463 C CA -1.144 58.041 59.018 0.278 0.000 1.664 463 C CB -0.860 27.067 27.740 0.312 0.000 2.051 463 C HN 0.436 nan 8.230 nan 0.000 0.544 464 G N 0.581 109.557 108.800 0.295 0.000 2.611 464 G HA2 0.357 4.315 3.960 -0.004 0.000 0.273 464 G HA3 0.357 4.315 3.960 -0.004 0.000 0.273 464 G C 0.982 175.939 174.900 0.095 0.000 1.305 464 G CA -0.411 44.861 45.100 0.286 0.000 1.010 464 G HN 0.500 nan 8.290 nan 0.000 0.509 465 I N -1.199 119.327 120.570 -0.074 0.000 2.286 465 I HA -0.059 4.109 4.170 -0.004 0.000 0.248 465 I C 0.447 176.318 176.117 -0.411 0.000 1.115 465 I CA 0.972 62.081 61.300 -0.319 0.000 1.392 465 I CB -0.293 37.438 38.000 -0.450 0.000 1.065 465 I HN 0.221 nan 8.210 nan 0.000 0.418 466 Y N 0.444 120.496 120.300 -0.414 0.000 2.361 466 Y HA 0.534 5.082 4.550 -0.003 0.000 0.332 466 Y C 0.093 175.802 175.900 -0.318 0.000 1.101 466 Y CA -0.986 56.833 58.100 -0.468 0.000 1.137 466 Y CB 1.149 39.152 38.460 -0.763 0.000 1.207 466 Y HN -0.131 nan 8.280 nan 0.000 0.463 467 R N 1.103 121.556 120.500 -0.078 0.000 2.480 467 R HA 0.421 4.759 4.340 -0.004 0.000 0.306 467 R C -0.680 175.566 176.300 -0.090 0.000 0.958 467 R CA -0.653 55.397 56.100 -0.084 0.000 0.861 467 R CB 1.557 31.757 30.300 -0.167 0.000 1.171 467 R HN 0.684 nan 8.270 nan 0.000 0.445 468 T N -0.905 113.626 114.554 -0.038 0.000 2.952 468 T HA 0.456 4.804 4.350 -0.004 0.000 0.286 468 T C -1.721 172.973 174.700 -0.009 0.000 1.024 468 T CA -1.787 60.293 62.100 -0.035 0.000 1.029 468 T CB 1.719 70.575 68.868 -0.019 0.000 1.094 468 T HN 0.321 nan 8.240 nan 0.000 0.515 469 P HA 0.058 nan 4.420 nan 0.000 0.227 469 P C 1.090 178.390 177.300 0.000 0.000 1.161 469 P CA 0.538 63.635 63.100 -0.004 0.000 0.788 469 P CB 0.339 32.034 31.700 -0.008 0.000 0.822 470 E N 0.686 120.889 120.200 0.005 0.000 2.057 470 E HA -0.014 4.334 4.350 -0.004 0.000 0.190 470 E C 2.144 178.756 176.600 0.020 0.000 0.969 470 E CA 0.560 56.966 56.400 0.011 0.000 0.812 470 E CB -0.623 29.085 29.700 0.013 0.000 0.777 470 E HN 0.162 nan 8.360 nan 0.000 0.455 471 L N 1.065 122.308 121.223 0.032 0.000 2.083 471 L HA -0.139 4.199 4.340 -0.004 0.000 0.209 471 L C 2.904 179.801 176.870 0.045 0.000 1.083 471 L CA 1.414 56.284 54.840 0.050 0.000 0.752 471 L CB -0.438 41.668 42.059 0.079 0.000 0.899 471 L HN 0.254 nan 8.230 nan 0.000 0.433 472 M N -0.362 119.261 119.600 0.037 0.000 2.296 472 M HA -0.219 4.259 4.480 -0.004 0.000 0.265 472 M C 2.177 178.476 176.300 -0.003 0.000 1.064 472 M CA 1.617 56.933 55.300 0.026 0.000 1.109 472 M CB -0.113 32.504 32.600 0.028 0.000 1.396 472 M HN 0.215 nan 8.290 nan 0.000 0.430 473 Q N 1.135 120.931 119.800 -0.007 0.000 2.226 473 Q HA -0.169 4.169 4.340 -0.004 0.000 0.204 473 Q C 1.875 177.873 176.000 -0.003 0.000 0.975 473 Q CA 1.625 57.418 55.803 -0.016 0.000 0.866 473 Q CB -0.367 28.364 28.738 -0.011 0.000 0.915 473 Q HN 0.342 nan 8.270 nan 0.000 0.440 474 K N -0.796 119.609 120.400 0.009 0.000 2.103 474 K HA -0.050 4.268 4.320 -0.004 0.000 0.204 474 K C 1.736 178.341 176.600 0.008 0.000 1.052 474 K CA 1.575 57.870 56.287 0.013 0.000 0.945 474 K CB -0.210 32.303 32.500 0.023 0.000 0.722 474 K HN 0.280 nan 8.250 nan 0.000 0.443 475 T N 1.546 116.103 114.554 0.006 0.000 2.812 475 T HA -0.003 4.345 4.350 -0.004 0.000 0.264 475 T C 1.907 176.603 174.700 -0.007 0.000 1.042 475 T CA 0.999 63.097 62.100 -0.003 0.000 1.140 475 T CB -0.026 68.839 68.868 -0.004 0.000 0.870 475 T HN 0.173 nan 8.240 nan 0.000 0.445 476 I N 1.162 121.727 120.570 -0.008 0.000 2.614 476 I HA -0.117 4.051 4.170 -0.004 0.000 0.258 476 I C 1.899 178.027 176.117 0.017 0.000 1.189 476 I CA 0.956 62.261 61.300 0.008 0.000 1.462 476 I CB -0.236 37.752 38.000 -0.021 0.000 1.092 476 I HN 0.112 nan 8.210 nan 0.000 0.442 477 D N 0.564 120.969 120.400 0.009 0.000 2.323 477 D HA -0.104 4.533 4.640 -0.004 0.000 0.209 477 D C 2.003 178.310 176.300 0.011 0.000 0.973 477 D CA 0.849 54.856 54.000 0.013 0.000 0.874 477 D CB 0.252 41.059 40.800 0.011 0.000 0.930 477 D HN 0.131 nan 8.370 nan 0.000 0.521 478 K N -0.021 120.383 120.400 0.006 0.000 2.308 478 K HA 0.193 4.511 4.320 -0.004 0.000 0.197 478 K C 1.983 178.582 176.600 -0.000 0.000 1.049 478 K CA 0.142 56.430 56.287 0.002 0.000 0.991 478 K CB 0.091 32.588 32.500 -0.004 0.000 0.836 478 K HN 0.002 nan 8.250 nan 0.000 0.500 479 L N -0.002 121.219 121.223 -0.003 0.000 2.056 479 L HA -0.059 4.279 4.340 -0.004 0.000 0.207 479 L C 2.247 179.119 176.870 0.003 0.000 1.078 479 L CA 1.344 56.180 54.840 -0.008 0.000 0.749 479 L CB -0.432 41.622 42.059 -0.008 0.000 0.901 479 L HN 0.184 nan 8.230 nan 0.000 0.433 480 A N -0.635 122.194 122.820 0.016 0.000 2.015 480 A HA -0.226 4.092 4.320 -0.004 0.000 0.219 480 A C 2.265 179.863 177.584 0.022 0.000 1.163 480 A CA 1.567 53.616 52.037 0.020 0.000 0.646 480 A CB -0.408 18.608 19.000 0.027 0.000 0.806 480 A HN 0.469 nan 8.150 nan 0.000 0.448 481 E N -0.171 120.041 120.200 0.020 0.000 2.107 481 E HA -0.116 4.232 4.350 -0.004 0.000 0.191 481 E C 1.819 178.439 176.600 0.032 0.000 0.982 481 E CA 0.838 57.252 56.400 0.023 0.000 0.809 481 E CB -0.135 29.575 29.700 0.017 0.000 0.756 481 E HN 0.640 nan 8.360 nan 0.000 0.459 482 L N 0.718 121.959 121.223 0.029 0.000 2.109 482 L HA -0.159 4.179 4.340 -0.004 0.000 0.207 482 L C 2.745 179.666 176.870 0.085 0.000 1.086 482 L CA 0.700 55.569 54.840 0.047 0.000 0.760 482 L CB -0.297 41.775 42.059 0.022 0.000 0.910 482 L HN 0.115 nan 8.230 nan 0.000 0.437 483 Q N -0.090 119.744 119.800 0.056 0.000 2.096 483 Q HA -0.273 4.064 4.340 -0.004 0.000 0.204 483 Q C 2.095 178.175 176.000 0.134 0.000 0.982 483 Q CA 1.731 57.580 55.803 0.078 0.000 0.850 483 Q CB -0.137 28.616 28.738 0.024 0.000 0.901 483 Q HN 0.435 nan 8.270 nan 0.000 0.422 484 E N 0.947 121.198 120.200 0.085 0.000 2.106 484 E HA -0.119 4.229 4.350 -0.004 0.000 0.192 484 E C 1.673 178.317 176.600 0.074 0.000 0.984 484 E CA 1.078 57.520 56.400 0.069 0.000 0.806 484 E CB 0.045 29.771 29.700 0.042 0.000 0.750 484 E HN 0.174 nan 8.360 nan 0.000 0.458 485 R N -0.874 119.676 120.500 0.084 0.000 2.307 485 R HA -0.001 4.337 4.340 -0.004 0.000 0.199 485 R C 1.765 178.132 176.300 0.111 0.000 1.000 485 R CA 0.597 56.741 56.100 0.074 0.000 1.023 485 R CB -0.209 30.128 30.300 0.061 0.000 0.908 485 R HN 0.256 nan 8.270 nan 0.000 0.473 486 F N 1.965 121.921 119.950 0.010 0.000 2.234 486 F HA -0.016 4.508 4.527 -0.004 0.000 0.296 486 F C 1.721 177.525 175.800 0.007 0.000 1.089 486 F CA 1.102 59.111 58.000 0.015 0.000 1.343 486 F CB 0.251 39.255 39.000 0.005 0.000 1.040 486 F HN -0.280 nan 8.300 nan 0.000 0.498 487 K N 0.477 120.854 120.400 -0.038 0.000 2.439 487 K HA -0.065 4.253 4.320 -0.004 0.000 0.197 487 K C 1.243 177.761 176.600 -0.137 0.000 1.041 487 K CA 0.569 56.783 56.287 -0.122 0.000 0.970 487 K CB -0.299 32.203 32.500 0.004 0.000 0.773 487 K HN 0.282 nan 8.250 nan 0.000 0.479 488 R N 1.002 121.440 120.500 -0.103 0.000 2.696 488 R HA 0.172 4.510 4.340 -0.004 0.000 0.355 488 R C -0.752 175.497 176.300 -0.085 0.000 1.138 488 R CA -0.075 55.981 56.100 -0.073 0.000 1.059 488 R CB 0.419 30.702 30.300 -0.028 0.000 1.380 488 R HN -0.193 nan 8.270 nan 0.000 0.578 489 V N 0.695 120.513 119.914 -0.160 0.000 2.612 489 V HA 0.487 4.605 4.120 -0.004 0.000 0.301 489 V C 0.302 176.324 176.094 -0.120 0.000 1.046 489 V CA -0.633 61.589 62.300 -0.130 0.000 0.946 489 V CB 1.934 33.649 31.823 -0.181 0.000 1.003 489 V HN 0.316 nan 8.190 nan 0.000 0.459 490 R N 2.631 123.099 120.500 -0.053 0.000 2.919 490 R HA 0.788 5.126 4.340 -0.004 0.000 0.260 490 R C -1.490 174.794 176.300 -0.027 0.000 1.067 490 R CA -0.895 55.178 56.100 -0.045 0.000 1.003 490 R CB 2.271 32.556 30.300 -0.024 0.000 1.192 490 R HN 0.527 nan 8.270 nan 0.000 0.488 491 I N -0.142 120.403 120.570 -0.040 0.000 2.569 491 I HA 0.197 4.365 4.170 -0.004 0.000 0.290 491 I C 0.454 176.553 176.117 -0.030 0.000 1.088 491 I CA -0.318 60.956 61.300 -0.044 0.000 1.047 491 I CB 2.658 40.606 38.000 -0.087 0.000 1.237 491 I HN 0.642 nan 8.210 nan 0.000 0.421 492 T N 0.577 115.122 114.554 -0.016 0.000 3.057 492 T HA 0.069 4.416 4.350 -0.004 0.000 0.254 492 T C 0.130 174.819 174.700 -0.019 0.000 1.094 492 T CA 0.219 62.313 62.100 -0.010 0.000 1.088 492 T CB -0.249 68.623 68.868 0.007 0.000 0.934 492 T HN 0.409 nan 8.240 nan 0.000 0.497 493 D N 2.818 123.198 120.400 -0.034 0.000 2.374 493 D HA 0.196 4.834 4.640 -0.004 0.000 0.240 493 D C 1.084 177.355 176.300 -0.048 0.000 1.229 493 D CA 0.116 54.091 54.000 -0.041 0.000 0.895 493 D CB 0.991 41.755 40.800 -0.061 0.000 1.046 493 D HN 0.265 nan 8.370 nan 0.000 0.498 494 T N -1.695 112.839 114.554 -0.033 0.000 3.144 494 T HA 0.088 4.436 4.350 -0.004 0.000 0.249 494 T C 0.783 175.467 174.700 -0.027 0.000 1.089 494 T CA -0.552 61.529 62.100 -0.032 0.000 0.989 494 T CB 0.022 68.876 68.868 -0.022 0.000 0.992 494 T HN 0.032 nan 8.240 nan 0.000 0.540 495 S N 2.094 117.778 115.700 -0.026 0.000 2.552 495 S HA 0.149 4.617 4.470 -0.004 0.000 0.289 495 S C 1.179 175.767 174.600 -0.020 0.000 1.304 495 S CA -0.487 57.704 58.200 -0.014 0.000 1.063 495 S CB 0.839 64.036 63.200 -0.005 0.000 0.848 495 S HN 0.454 nan 8.310 nan 0.000 0.499 496 S N 1.498 117.194 115.700 -0.006 0.000 2.501 496 S HA 0.070 4.538 4.470 -0.004 0.000 0.220 496 S C 0.484 175.087 174.600 0.005 0.000 0.997 496 S CA 0.074 58.270 58.200 -0.006 0.000 0.919 496 S CB 0.245 63.445 63.200 0.001 0.000 0.778 496 S HN 0.504 nan 8.310 nan 0.000 0.523 497 V N 2.566 122.496 119.914 0.028 0.000 2.384 497 V HA 0.406 4.524 4.120 -0.004 0.000 0.287 497 V C -0.431 175.748 176.094 0.141 0.000 1.020 497 V CA -0.910 61.433 62.300 0.071 0.000 0.850 497 V CB 0.462 32.327 31.823 0.069 0.000 0.987 497 V HN 0.476 nan 8.190 nan 0.000 0.436 498 F N 4.846 124.771 119.950 -0.042 0.000 2.526 498 F HA -0.227 4.298 4.527 -0.004 0.000 0.225 498 F C 0.345 176.116 175.800 -0.049 0.000 1.031 498 F CA 0.445 58.419 58.000 -0.043 0.000 0.915 498 F CB -0.278 38.713 39.000 -0.015 0.000 0.952 498 F HN 0.672 nan 8.300 nan 0.000 0.834 499 N N 3.039 121.562 118.700 -0.295 0.000 2.469 499 N HA 0.213 4.951 4.740 -0.004 0.000 0.239 499 N C 1.054 176.314 175.510 -0.417 0.000 1.053 499 N CA 0.577 53.461 53.050 -0.276 0.000 0.937 499 N CB 1.115 39.480 38.487 -0.202 0.000 1.163 499 N HN 0.453 nan 8.380 nan 0.000 0.509 500 T N 1.613 115.955 114.554 -0.354 0.000 2.737 500 T HA -0.150 4.198 4.350 -0.004 0.000 0.265 500 T C 1.278 175.858 174.700 -0.201 0.000 1.038 500 T CA 0.915 62.856 62.100 -0.265 0.000 1.144 500 T CB -0.186 68.587 68.868 -0.159 0.000 0.866 500 T HN 0.532 nan 8.240 nan 0.000 0.434 501 D N 0.939 121.205 120.400 -0.223 0.000 2.126 501 D HA -0.130 4.508 4.640 -0.004 0.000 0.190 501 D C 2.161 178.236 176.300 -0.375 0.000 1.001 501 D CA 1.127 54.952 54.000 -0.292 0.000 0.841 501 D CB -0.248 40.445 40.800 -0.177 0.000 0.949 501 D HN 0.199 nan 8.370 nan 0.000 0.446 502 L N 0.627 121.666 121.223 -0.306 0.000 2.017 502 L HA -0.132 4.206 4.340 -0.004 0.000 0.208 502 L C 2.533 179.167 176.870 -0.393 0.000 1.073 502 L CA 1.332 55.988 54.840 -0.305 0.000 0.745 502 L CB -0.482 41.419 42.059 -0.262 0.000 0.894 502 L HN 0.098 nan 8.230 nan 0.000 0.432 503 L N -2.112 118.782 121.223 -0.549 0.000 2.093 503 L HA -0.215 4.123 4.340 -0.004 0.000 0.208 503 L C 2.179 178.690 176.870 -0.598 0.000 1.085 503 L CA 1.215 55.496 54.840 -0.933 0.000 0.755 503 L CB -0.772 40.543 42.059 -1.240 0.000 0.904 503 L HN 0.254 nan 8.230 nan 0.000 0.435 504 Y N -0.274 119.710 120.300 -0.526 0.000 2.544 504 Y HA -0.081 4.467 4.550 -0.003 0.000 0.286 504 Y C 2.641 178.229 175.900 -0.521 0.000 1.141 504 Y CA 0.834 58.630 58.100 -0.507 0.000 1.299 504 Y CB -0.342 37.679 38.460 -0.732 0.000 1.030 504 Y HN 0.106 nan 8.280 nan 0.000 0.543 505 T N 0.081 114.417 114.554 -0.363 0.000 2.896 505 T HA -0.082 4.266 4.350 -0.004 0.000 0.263 505 T C 1.872 176.675 174.700 0.171 0.000 1.050 505 T CA 0.922 62.974 62.100 -0.081 0.000 1.140 505 T CB -0.069 68.716 68.868 -0.138 0.000 0.877 505 T HN 0.148 nan 8.240 nan 0.000 0.457 506 I N 1.861 122.492 120.570 0.101 0.000 2.252 506 I HA -0.085 4.083 4.170 -0.004 0.000 0.245 506 I C 2.360 178.637 176.117 0.266 0.000 1.102 506 I CA 1.355 62.795 61.300 0.234 0.000 1.385 506 I CB -1.166 37.063 38.000 0.382 0.000 1.064 506 I HN 0.384 nan 8.210 nan 0.000 0.414 507 E N 0.685 121.000 120.200 0.192 0.000 2.153 507 E HA -0.232 4.116 4.350 -0.004 0.000 0.194 507 E C 2.204 178.882 176.600 0.131 0.000 0.988 507 E CA 0.886 57.374 56.400 0.146 0.000 0.811 507 E CB -0.143 29.571 29.700 0.024 0.000 0.746 507 E HN 0.285 nan 8.360 nan 0.000 0.466 508 L N 0.327 121.644 121.223 0.158 0.000 2.056 508 L HA -0.005 4.333 4.340 -0.004 0.000 0.207 508 L C 2.187 178.955 176.870 -0.169 0.000 1.078 508 L CA 1.973 56.895 54.840 0.137 0.000 0.749 508 L CB -0.574 41.707 42.059 0.370 0.000 0.901 508 L HN 0.068 nan 8.230 nan 0.000 0.433 509 G N -2.080 106.517 108.800 -0.338 0.000 2.471 509 G HA2 -0.204 3.754 3.960 -0.004 0.000 0.219 509 G HA3 -0.204 3.754 3.960 -0.004 0.000 0.219 509 G C 1.386 175.909 174.900 -0.627 0.000 1.125 509 G CA 0.668 45.169 45.100 -1.000 0.000 0.775 509 G HN 0.542 nan 8.290 nan 0.000 0.548 510 H N 0.044 118.984 119.070 -0.217 0.000 2.497 510 H HA 0.060 4.614 4.556 -0.004 0.000 0.282 510 H C 2.796 178.034 175.328 -0.149 0.000 1.003 510 H CA 0.818 56.771 56.048 -0.157 0.000 1.307 510 H CB -0.068 29.629 29.762 -0.110 0.000 1.437 510 H HN 0.370 nan 8.280 nan 0.000 0.544 511 G N 1.030 109.813 108.800 -0.029 0.000 2.408 511 G HA2 -0.157 3.801 3.960 -0.004 0.000 0.217 511 G HA3 -0.157 3.801 3.960 -0.004 0.000 0.217 511 G C 1.799 176.636 174.900 -0.106 0.000 1.150 511 G CA 0.232 45.299 45.100 -0.054 0.000 0.776 511 G HN 0.224 nan 8.290 nan 0.000 0.542 512 L N 0.405 121.524 121.223 -0.174 0.000 2.131 512 L HA -0.022 4.316 4.340 -0.004 0.000 0.210 512 L C 2.493 179.268 176.870 -0.158 0.000 1.092 512 L CA 0.649 55.378 54.840 -0.186 0.000 0.759 512 L CB -0.261 41.627 42.059 -0.284 0.000 0.903 512 L HN 0.092 nan 8.230 nan 0.000 0.435 513 N N -0.820 117.779 118.700 -0.169 0.000 2.354 513 N HA -0.077 4.661 4.740 -0.004 0.000 0.179 513 N C 1.808 177.263 175.510 -0.090 0.000 1.021 513 N CA 0.710 53.688 53.050 -0.121 0.000 0.887 513 N CB -0.006 38.413 38.487 -0.113 0.000 0.974 513 N HN 0.044 nan 8.380 nan 0.000 0.437 514 V N 0.963 120.830 119.914 -0.079 0.000 2.453 514 V HA -0.077 4.041 4.120 -0.004 0.000 0.247 514 V C 2.225 178.278 176.094 -0.069 0.000 1.048 514 V CA 1.490 63.748 62.300 -0.070 0.000 1.049 514 V CB -0.813 30.974 31.823 -0.059 0.000 0.672 514 V HN 0.251 nan 8.190 nan 0.000 0.457 515 A N -0.118 122.661 122.820 -0.068 0.000 2.032 515 A HA -0.277 4.041 4.320 -0.004 0.000 0.221 515 A C 2.046 179.626 177.584 -0.007 0.000 1.165 515 A CA 2.134 54.139 52.037 -0.052 0.000 0.645 515 A CB -0.406 18.552 19.000 -0.070 0.000 0.807 515 A HN 0.576 nan 8.150 nan 0.000 0.453 516 E N -0.760 119.425 120.200 -0.026 0.000 2.028 516 E HA -0.112 4.236 4.350 -0.004 0.000 0.191 516 E C 2.029 178.604 176.600 -0.041 0.000 0.988 516 E CA 1.291 57.676 56.400 -0.025 0.000 0.799 516 E CB -0.827 28.733 29.700 -0.234 0.000 0.755 516 E HN 0.623 nan 8.360 nan 0.000 0.447 517 C N 0.487 119.726 119.300 -0.101 0.000 2.401 517 C HA -0.182 4.276 4.460 -0.004 0.000 0.276 517 C C 2.617 177.564 174.990 -0.073 0.000 1.233 517 C CA 0.956 59.906 59.018 -0.113 0.000 1.753 517 C CB -0.857 26.801 27.740 -0.137 0.000 2.029 517 C HN 0.455 nan 8.230 nan 0.000 0.478 518 M N 0.603 120.174 119.600 -0.049 0.000 2.099 518 M HA -0.110 4.368 4.480 -0.004 0.000 0.262 518 M C 2.538 178.809 176.300 -0.047 0.000 1.067 518 M CA 2.163 57.437 55.300 -0.044 0.000 1.124 518 M CB -0.672 31.921 32.600 -0.012 0.000 1.353 518 M HN 0.455 nan 8.290 nan 0.000 0.410 519 A N -0.900 121.927 122.820 0.010 0.000 1.935 519 A HA -0.097 4.220 4.320 -0.004 0.000 0.214 519 A C 1.818 179.371 177.584 -0.051 0.000 1.178 519 A CA 0.967 52.996 52.037 -0.012 0.000 0.640 519 A CB -0.940 18.070 19.000 0.017 0.000 0.825 519 A HN 0.483 nan 8.150 nan 0.000 0.447 520 H N -1.024 117.992 119.070 -0.091 0.000 2.395 520 H HA -0.068 4.486 4.556 -0.003 0.000 0.299 520 H C 2.571 177.845 175.328 -0.090 0.000 1.070 520 H CA 1.424 57.430 56.048 -0.070 0.000 1.356 520 H CB 0.040 29.772 29.762 -0.050 0.000 1.401 520 H HN 0.579 nan 8.280 nan 0.000 0.524 521 S N 0.527 116.217 115.700 -0.017 0.000 2.399 521 S HA -0.120 4.348 4.470 -0.004 0.000 0.231 521 S C 2.332 176.816 174.600 -0.194 0.000 1.022 521 S CA 0.911 59.050 58.200 -0.101 0.000 0.983 521 S CB -0.124 62.985 63.200 -0.152 0.000 0.803 521 S HN 0.464 nan 8.310 nan 0.000 0.480 522 A N 2.015 124.637 122.820 -0.331 0.000 1.854 522 A HA 0.090 4.407 4.320 -0.004 0.000 0.214 522 A C 2.277 179.589 177.584 -0.454 0.000 1.192 522 A CA 1.534 53.151 52.037 -0.700 0.000 0.611 522 A CB -0.797 17.699 19.000 -0.839 0.000 0.832 522 A HN 0.569 nan 8.150 nan 0.000 0.442 523 M N 0.220 119.687 119.600 -0.222 0.000 2.082 523 M HA -0.203 4.275 4.480 -0.004 0.000 0.258 523 M C 2.258 178.513 176.300 -0.076 0.000 1.069 523 M CA 2.174 57.414 55.300 -0.101 0.000 1.102 523 M CB -0.905 31.614 32.600 -0.136 0.000 1.336 523 M HN 0.434 nan 8.290 nan 0.000 0.404 524 A N -0.190 122.607 122.820 -0.039 0.000 1.929 524 A HA -0.116 4.202 4.320 -0.004 0.000 0.216 524 A C 1.762 179.236 177.584 -0.185 0.000 1.176 524 A CA 0.655 52.723 52.037 0.052 0.000 0.628 524 A CB -0.559 18.615 19.000 0.291 0.000 0.816 524 A HN 0.562 nan 8.150 nan 0.000 0.444 525 R N 1.318 121.627 120.500 -0.317 0.000 2.605 525 R HA 0.073 4.411 4.340 -0.004 0.000 0.271 525 R C -0.744 175.071 176.300 -0.808 0.000 1.418 525 R CA 0.074 55.671 56.100 -0.838 0.000 1.102 525 R CB -0.303 29.780 30.300 -0.361 0.000 1.131 525 R HN 0.267 nan 8.270 nan 0.000 0.554 526 K N 4.398 124.055 120.400 -1.237 0.000 2.502 526 K HA 0.013 4.330 4.320 -0.004 0.000 0.244 526 K C -0.632 175.778 176.600 -0.316 0.000 1.249 526 K CA 0.049 56.041 56.287 -0.493 0.000 1.193 526 K CB 0.088 32.460 32.500 -0.213 0.000 1.674 526 K HN 0.620 nan 8.250 nan 0.000 0.302 527 E N -1.443 118.621 120.200 -0.227 0.000 2.366 527 E HA 0.277 4.625 4.350 -0.004 0.000 0.278 527 E C -1.208 175.395 176.600 0.005 0.000 0.923 527 E CA -0.933 55.444 56.400 -0.039 0.000 0.761 527 E CB 1.435 31.168 29.700 0.054 0.000 1.231 527 E HN -0.173 nan 8.360 nan 0.000 0.443 528 S N 1.561 117.276 115.700 0.026 0.000 2.399 528 S HA 0.338 4.806 4.470 -0.004 0.000 0.301 528 S C -0.600 174.066 174.600 0.111 0.000 1.093 528 S CA -0.538 57.685 58.200 0.039 0.000 1.077 528 S CB 0.029 63.242 63.200 0.022 0.000 0.980 528 S HN 0.367 nan 8.310 nan 0.000 0.494 529 R N 2.201 122.812 120.500 0.186 0.000 2.514 529 R HA 0.500 4.838 4.340 -0.004 0.000 0.296 529 R C 0.891 177.409 176.300 0.362 0.000 1.012 529 R CA 0.275 56.534 56.100 0.266 0.000 0.897 529 R CB 1.068 31.574 30.300 0.344 0.000 1.184 529 R HN 0.837 nan 8.270 nan 0.000 0.440 530 G N 2.618 111.540 108.800 0.203 0.000 2.646 530 G HA2 -0.496 3.462 3.960 -0.004 0.000 0.324 530 G HA3 -0.496 3.462 3.960 -0.004 0.000 0.324 530 G C 0.823 175.837 174.900 0.191 0.000 1.195 530 G CA 0.816 45.997 45.100 0.135 0.000 0.976 530 G HN 0.729 nan 8.290 nan 0.000 0.546 531 A N -0.668 122.336 122.820 0.307 0.000 1.898 531 A HA 0.249 4.567 4.320 -0.004 0.000 0.214 531 A C 1.453 179.215 177.584 0.297 0.000 1.183 531 A CA 1.985 54.203 52.037 0.303 0.000 0.622 531 A CB -0.401 18.826 19.000 0.379 0.000 0.824 531 A HN 1.393 nan 8.150 nan 0.000 0.444 532 H N 1.470 120.695 119.070 0.259 0.000 3.109 532 H HA 0.334 4.888 4.556 -0.003 0.000 0.266 532 H C -0.564 174.811 175.328 0.077 0.000 1.334 532 H CA -0.056 56.042 56.048 0.084 0.000 1.456 532 H CB -0.193 29.513 29.762 -0.093 0.000 1.587 532 H HN 0.227 nan 8.280 nan 0.000 0.500 533 Q N 4.652 124.354 119.800 -0.164 0.000 2.325 533 Q HA 0.353 4.691 4.340 -0.004 0.000 0.262 533 Q C -0.189 175.691 176.000 -0.199 0.000 0.968 533 Q CA -0.613 55.121 55.803 -0.115 0.000 0.877 533 Q CB 1.910 30.664 28.738 0.027 0.000 1.253 533 Q HN 0.700 nan 8.270 nan 0.000 0.448 534 R N 1.979 122.352 120.500 -0.211 0.000 2.474 534 R HA 0.413 4.751 4.340 -0.004 0.000 0.295 534 R C 1.089 177.308 176.300 -0.134 0.000 0.980 534 R CA -0.398 55.578 56.100 -0.206 0.000 0.934 534 R CB 1.288 31.463 30.300 -0.210 0.000 1.101 534 R HN 0.497 nan 8.270 nan 0.000 0.469 535 L N 1.092 122.226 121.223 -0.148 0.000 2.416 535 L HA 0.023 4.360 4.340 -0.004 0.000 0.216 535 L C 0.104 176.901 176.870 -0.121 0.000 1.098 535 L CA 0.151 54.884 54.840 -0.178 0.000 0.840 535 L CB -0.135 41.788 42.059 -0.226 0.000 0.981 535 L HN 0.691 nan 8.230 nan 0.000 0.462 536 D N 0.181 120.528 120.400 -0.089 0.000 2.390 536 D HA -0.089 4.548 4.640 -0.004 0.000 0.249 536 D C 1.206 177.476 176.300 -0.050 0.000 1.144 536 D CA -0.201 53.764 54.000 -0.059 0.000 0.880 536 D CB 0.689 41.464 40.800 -0.042 0.000 1.182 536 D HN 0.137 nan 8.370 nan 0.000 0.451 537 E N 2.562 122.738 120.200 -0.039 0.000 2.118 537 E HA -0.196 4.152 4.350 -0.004 0.000 0.195 537 E C 1.686 178.277 176.600 -0.015 0.000 0.992 537 E CA 1.575 57.958 56.400 -0.029 0.000 0.804 537 E CB -1.038 28.648 29.700 -0.023 0.000 0.741 537 E HN 0.633 nan 8.360 nan 0.000 0.458 538 G N 0.160 108.955 108.800 -0.008 0.000 2.650 538 G HA2 -0.111 3.847 3.960 -0.004 0.000 0.214 538 G HA3 -0.111 3.847 3.960 -0.004 0.000 0.214 538 G C 1.252 176.161 174.900 0.014 0.000 1.136 538 G CA 0.828 45.933 45.100 0.008 0.000 0.789 538 G HN 0.432 nan 8.290 nan 0.000 0.536 539 C N 0.243 119.538 119.300 -0.008 0.000 3.642 539 C HA 0.196 4.654 4.460 -0.004 0.000 0.305 539 C C 2.592 177.563 174.990 -0.032 0.000 1.492 539 C CA 0.258 59.263 59.018 -0.021 0.000 1.809 539 C CB -0.194 27.515 27.740 -0.051 0.000 2.639 539 C HN 0.459 nan 8.230 nan 0.000 0.672 540 T N -0.599 113.937 114.554 -0.031 0.000 3.077 540 T HA -0.073 4.274 4.350 -0.004 0.000 0.269 540 T C 0.221 174.918 174.700 -0.004 0.000 1.146 540 T CA 1.250 63.330 62.100 -0.032 0.000 1.091 540 T CB -0.017 68.828 68.868 -0.037 0.000 0.892 540 T HN 0.680 nan 8.240 nan 0.000 0.533 541 E N 0.441 120.648 120.200 0.011 0.000 2.288 541 E HA 0.429 4.777 4.350 -0.004 0.000 0.268 541 E C -0.660 175.970 176.600 0.050 0.000 0.885 541 E CA -1.045 55.373 56.400 0.030 0.000 0.767 541 E CB 1.827 31.543 29.700 0.027 0.000 1.220 541 E HN 0.109 nan 8.360 nan 0.000 0.427 542 R N 2.175 122.713 120.500 0.063 0.000 2.345 542 R HA 0.042 4.380 4.340 -0.004 0.000 0.331 542 R C -1.051 175.300 176.300 0.085 0.000 1.067 542 R CA -0.066 56.087 56.100 0.087 0.000 0.962 542 R CB -0.020 30.336 30.300 0.094 0.000 0.987 542 R HN 0.397 nan 8.270 nan 0.000 0.451 543 D N 3.520 123.994 120.400 0.123 0.000 2.365 543 D HA 0.059 4.697 4.640 -0.004 0.000 0.237 543 D C -0.034 176.333 176.300 0.112 0.000 1.190 543 D CA -0.094 53.978 54.000 0.121 0.000 0.867 543 D CB 1.499 42.409 40.800 0.184 0.000 1.050 543 D HN 0.455 nan 8.370 nan 0.000 0.491 544 D N 1.442 121.873 120.400 0.050 0.000 2.234 544 D HA -0.076 4.562 4.640 -0.004 0.000 0.205 544 D C 1.849 178.152 176.300 0.004 0.000 0.962 544 D CA 0.583 54.598 54.000 0.026 0.000 0.855 544 D CB 0.451 41.234 40.800 -0.028 0.000 0.951 544 D HN 0.220 nan 8.370 nan 0.000 0.500 545 V N 0.675 120.582 119.914 -0.012 0.000 2.878 545 V HA -0.017 4.100 4.120 -0.004 0.000 0.250 545 V C 1.836 177.875 176.094 -0.091 0.000 1.075 545 V CA 0.866 63.141 62.300 -0.042 0.000 1.096 545 V CB -0.214 31.585 31.823 -0.040 0.000 0.724 545 V HN 0.080 nan 8.190 nan 0.000 0.467 546 N N -0.093 118.549 118.700 -0.097 0.000 2.258 546 N HA 0.118 4.855 4.740 -0.004 0.000 0.183 546 N C 0.663 175.845 175.510 -0.547 0.000 1.029 546 N CA 1.077 53.949 53.050 -0.297 0.000 0.857 546 N CB 0.066 38.445 38.487 -0.180 0.000 1.008 546 N HN 0.490 nan 8.380 nan 0.000 0.433 547 F N 0.312 120.243 119.950 -0.032 0.000 2.818 547 F HA 0.334 4.859 4.527 -0.004 0.000 0.369 547 F C 0.122 175.934 175.800 0.020 0.000 1.327 547 F CA -0.499 57.485 58.000 -0.026 0.000 1.211 547 F CB 0.495 39.490 39.000 -0.009 0.000 1.036 547 F HN -0.140 nan 8.300 nan 0.000 0.510 548 L N 3.599 124.885 121.223 0.104 0.000 2.648 548 L HA 0.314 4.652 4.340 -0.004 0.000 0.238 548 L C -0.137 176.787 176.870 0.090 0.000 1.316 548 L CA 0.194 55.093 54.840 0.098 0.000 1.241 548 L CB -1.101 40.996 42.059 0.064 0.000 1.499 548 L HN 0.166 nan 8.230 nan 0.000 0.411 549 K N -0.790 119.684 120.400 0.123 0.000 2.557 549 K HA 0.378 4.696 4.320 -0.004 0.000 0.261 549 K C -1.088 175.623 176.600 0.185 0.000 0.932 549 K CA -0.905 55.480 56.287 0.163 0.000 0.829 549 K CB 0.875 33.504 32.500 0.215 0.000 1.358 549 K HN 0.021 nan 8.250 nan 0.000 0.430 550 H N 0.652 119.850 119.070 0.213 0.000 2.771 550 H HA 0.190 4.744 4.556 -0.003 0.000 0.364 550 H C -0.302 175.099 175.328 0.122 0.000 1.133 550 H CA 0.788 56.933 56.048 0.162 0.000 1.423 550 H CB 0.917 30.740 29.762 0.101 0.000 1.425 550 H HN 0.530 nan 8.280 nan 0.000 0.606 551 T N 3.332 117.956 114.554 0.116 0.000 2.807 551 T HA 0.490 4.838 4.350 -0.004 0.000 0.279 551 T C -0.375 174.216 174.700 -0.181 0.000 0.993 551 T CA -0.884 61.109 62.100 -0.179 0.000 0.970 551 T CB 0.684 69.397 68.868 -0.259 0.000 0.950 551 T HN 0.285 nan 8.240 nan 0.000 0.441 552 L N 1.989 123.058 121.223 -0.257 0.000 2.341 552 L HA 0.874 5.212 4.340 -0.004 0.000 0.278 552 L C -0.090 176.557 176.870 -0.371 0.000 1.005 552 L CA -1.204 53.453 54.840 -0.305 0.000 0.818 552 L CB 1.562 43.483 42.059 -0.230 0.000 1.259 552 L HN 0.723 nan 8.230 nan 0.000 0.418 553 A N 2.901 125.413 122.820 -0.513 0.000 2.356 553 A HA 0.852 5.170 4.320 -0.004 0.000 0.310 553 A C -1.276 175.994 177.584 -0.523 0.000 1.075 553 A CA -0.309 51.510 52.037 -0.363 0.000 0.746 553 A CB 0.740 19.603 19.000 -0.228 0.000 1.221 553 A HN 0.519 nan 8.150 nan 0.000 0.443 554 F N 1.454 121.337 119.950 -0.112 0.000 2.382 554 F HA 0.477 5.001 4.527 -0.004 0.000 0.361 554 F C 0.656 176.397 175.800 -0.099 0.000 1.109 554 F CA -0.597 57.347 58.000 -0.094 0.000 1.031 554 F CB 1.745 40.697 39.000 -0.080 0.000 1.234 554 F HN 0.643 nan 8.300 nan 0.000 0.445 555 R N 2.977 123.495 120.500 0.030 0.000 2.488 555 R HA 0.096 4.433 4.340 -0.004 0.000 0.306 555 R C -0.467 175.849 176.300 0.028 0.000 1.271 555 R CA 0.022 56.119 56.100 -0.005 0.000 1.022 555 R CB -0.722 29.557 30.300 -0.034 0.000 1.054 555 R HN 0.442 nan 8.270 nan 0.000 0.500 556 D N 2.222 122.636 120.400 0.023 0.000 2.369 556 D HA 0.066 4.704 4.640 -0.004 0.000 0.241 556 D C 1.042 177.343 176.300 0.002 0.000 1.271 556 D CA 0.591 54.599 54.000 0.013 0.000 0.942 556 D CB 0.706 41.505 40.800 -0.002 0.000 1.129 556 D HN 0.550 nan 8.370 nan 0.000 0.476 557 A N 0.695 123.513 122.820 -0.003 0.000 2.015 557 A HA -0.153 4.165 4.320 -0.004 0.000 0.219 557 A C 1.397 178.979 177.584 -0.004 0.000 1.163 557 A CA 1.432 53.467 52.037 -0.003 0.000 0.646 557 A CB -0.400 18.596 19.000 -0.007 0.000 0.806 557 A HN 0.646 nan 8.150 nan 0.000 0.448 558 D N -1.571 118.825 120.400 -0.006 0.000 2.347 558 D HA 0.131 4.769 4.640 -0.004 0.000 0.215 558 D C 1.223 177.521 176.300 -0.004 0.000 0.976 558 D CA 1.017 55.014 54.000 -0.004 0.000 0.884 558 D CB -0.384 40.413 40.800 -0.005 0.000 0.915 558 D HN 0.780 nan 8.370 nan 0.000 0.526 559 G N 1.162 109.957 108.800 -0.008 0.000 2.131 559 G HA2 -0.221 3.737 3.960 -0.004 0.000 0.223 559 G HA3 -0.221 3.737 3.960 -0.004 0.000 0.223 559 G C 0.293 175.179 174.900 -0.024 0.000 0.990 559 G CA 0.383 45.474 45.100 -0.014 0.000 0.671 559 G HN 0.694 nan 8.290 nan 0.000 0.521 560 T N -1.486 113.053 114.554 -0.025 0.000 2.841 560 T HA 0.688 5.036 4.350 -0.004 0.000 0.283 560 T C 0.036 174.700 174.700 -0.060 0.000 1.000 560 T CA 0.051 62.127 62.100 -0.040 0.000 0.977 560 T CB 2.318 71.180 68.868 -0.011 0.000 0.979 560 T HN 0.272 nan 8.240 nan 0.000 0.446 561 T N 3.065 117.533 114.554 -0.142 0.000 2.899 561 T HA 0.413 4.761 4.350 -0.004 0.000 0.295 561 T C 0.271 174.925 174.700 -0.077 0.000 1.033 561 T CA -0.636 61.368 62.100 -0.160 0.000 1.084 561 T CB 0.761 69.412 68.868 -0.361 0.000 0.979 561 T HN 0.625 nan 8.240 nan 0.000 0.532 562 R N 1.170 121.691 120.500 0.034 0.000 2.856 562 R HA 0.681 5.019 4.340 -0.004 0.000 0.258 562 R C -1.352 175.024 176.300 0.127 0.000 1.066 562 R CA -0.785 55.376 56.100 0.102 0.000 1.045 562 R CB 0.770 31.147 30.300 0.129 0.000 1.178 562 R HN 0.524 nan 8.270 nan 0.000 0.499 563 L N 1.821 123.113 121.223 0.114 0.000 2.356 563 L HA 0.514 4.852 4.340 -0.004 0.000 0.277 563 L C -0.606 176.280 176.870 0.026 0.000 0.996 563 L CA -0.450 54.410 54.840 0.033 0.000 0.822 563 L CB 2.100 44.208 42.059 0.082 0.000 1.256 563 L HN 0.652 nan 8.230 nan 0.000 0.413 564 E N 1.814 121.939 120.200 -0.125 0.000 2.408 564 E HA 0.537 4.885 4.350 -0.004 0.000 0.275 564 E C -1.895 174.501 176.600 -0.339 0.000 0.935 564 E CA -0.849 55.527 56.400 -0.040 0.000 0.775 564 E CB 3.053 32.874 29.700 0.202 0.000 1.277 564 E HN 0.305 nan 8.360 nan 0.000 0.455 565 Y N -0.059 120.316 120.300 0.125 0.000 2.406 565 Y HA 0.364 4.912 4.550 -0.003 0.000 0.340 565 Y C -0.397 175.574 175.900 0.117 0.000 0.975 565 Y CA -0.667 57.505 58.100 0.121 0.000 1.056 565 Y CB 2.385 40.906 38.460 0.102 0.000 1.210 565 Y HN 0.256 nan 8.280 nan 0.000 0.448 566 S N 2.049 117.918 115.700 0.281 0.000 2.473 566 S HA 0.184 4.652 4.470 -0.004 0.000 0.307 566 S C -1.098 173.670 174.600 0.281 0.000 1.094 566 S CA -0.895 57.441 58.200 0.227 0.000 1.070 566 S CB 1.213 64.509 63.200 0.160 0.000 1.019 566 S HN 0.612 nan 8.310 nan 0.000 0.480 567 D N 2.105 122.625 120.400 0.201 0.000 2.443 567 D HA 0.156 4.793 4.640 -0.004 0.000 0.239 567 D C -0.428 176.018 176.300 0.243 0.000 1.136 567 D CA 0.019 54.129 54.000 0.184 0.000 0.879 567 D CB 0.791 41.663 40.800 0.119 0.000 1.195 567 D HN 0.184 nan 8.370 nan 0.000 0.443 568 V N 3.942 123.995 119.914 0.231 0.000 2.481 568 V HA 0.256 4.374 4.120 -0.004 0.000 0.286 568 V C 0.568 176.774 176.094 0.188 0.000 1.042 568 V CA -0.685 61.773 62.300 0.264 0.000 0.928 568 V CB 1.309 33.251 31.823 0.198 0.000 0.986 568 V HN 0.410 nan 8.190 nan 0.000 0.462 569 K N 3.681 124.189 120.400 0.180 0.000 2.234 569 K HA 0.620 4.938 4.320 -0.004 0.000 0.277 569 K C -1.300 175.398 176.600 0.165 0.000 1.038 569 K CA -0.550 55.824 56.287 0.145 0.000 0.888 569 K CB 0.924 33.493 32.500 0.115 0.000 1.091 569 K HN 0.552 nan 8.250 nan 0.000 0.467 570 I N 3.275 123.944 120.570 0.165 0.000 2.378 570 I HA 0.126 4.294 4.170 -0.004 0.000 0.291 570 I C 0.963 177.187 176.117 0.178 0.000 0.992 570 I CA -0.072 61.349 61.300 0.202 0.000 1.154 570 I CB 1.967 40.101 38.000 0.222 0.000 1.315 570 I HN 0.717 nan 8.210 nan 0.000 0.448 571 T N 1.882 116.560 114.554 0.208 0.000 3.082 571 T HA -0.016 4.332 4.350 -0.004 0.000 0.235 571 T C 1.359 176.134 174.700 0.126 0.000 0.991 571 T CA 1.482 63.671 62.100 0.149 0.000 1.220 571 T CB 0.217 69.161 68.868 0.126 0.000 0.909 571 T HN 0.638 nan 8.240 nan 0.000 0.424 572 T N 0.046 114.693 114.554 0.154 0.000 2.986 572 T HA 0.434 4.782 4.350 -0.004 0.000 0.264 572 T C -0.686 174.131 174.700 0.196 0.000 0.964 572 T CA -0.331 61.837 62.100 0.113 0.000 0.895 572 T CB 0.107 68.972 68.868 -0.006 0.000 1.163 572 T HN 0.179 nan 8.240 nan 0.000 0.517 573 L N 3.379 124.788 121.223 0.310 0.000 2.349 573 L HA 0.641 4.979 4.340 -0.004 0.000 0.278 573 L C -2.783 174.346 176.870 0.431 0.000 0.996 573 L CA -2.191 52.880 54.840 0.384 0.000 0.825 573 L CB 1.760 44.098 42.059 0.464 0.000 1.243 573 L HN -0.172 nan 8.230 nan 0.000 0.412 574 P HA 0.207 nan 4.420 nan 0.000 0.268 574 P C -2.241 175.042 177.300 -0.029 0.000 1.204 574 P CA -0.983 62.202 63.100 0.143 0.000 0.768 574 P CB 0.226 31.963 31.700 0.061 0.000 0.842 575 P HA -0.109 nan 4.420 nan 0.000 0.218 575 P C -1.002 175.831 177.300 -0.778 0.000 1.149 575 P CA 1.478 64.207 63.100 -0.619 0.000 0.817 575 P CB -0.048 31.544 31.700 -0.180 0.000 0.785 576 A N 0.000 122.577 122.820 -0.405 0.000 2.254 576 A HA 0.000 4.318 4.320 -0.004 0.000 0.244 576 A CA 0.000 51.846 52.037 -0.318 0.000 0.836 576 A CB 0.000 18.904 19.000 -0.160 0.000 0.831 576 A HN 0.000 nan 8.150 nan 0.000 0.486